data_19880 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19880 _Entry.Title ; NMR structure of Copsin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-28 _Entry.Accession_date 2014-03-28 _Entry.Last_release_date 2015-09-01 _Entry.Original_release_date 2015-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Daniela Hofmann . . . 19880 2 Gerhard Wider . . . 19880 3 Andreas Essig . . . 19880 4 Markus Aebi . . . 19880 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19880 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 19880 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 19880 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 644 19880 '15N chemical shifts' 267 19880 '1H chemical shifts' 1392 19880 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-09-01 2014-03-28 update BMRB 'update ambiguity codes' 19880 1 . . 2014-10-27 2014-03-28 original author 'original release' 19880 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MN5 'BMRB Entry Tracking System' 19880 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19880 _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 ; Copsin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Andreas Essig . . . 19880 1 2 Daniela Hofmann . . . 19880 1 3 Daniela Muench . . . 19880 1 4 Savitha Gayathri . . . 19880 1 5 Hans-Georg Sahl . . . 19880 1 6 Gerhard Wider . . . 19880 1 7 Tanja Schneider . . . 19880 1 8 Markus Aebi . . . 19880 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19880 _Assembly.ID 1 _Assembly.Name Copsin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Copsin 1 $entity A . yes native no no . . . 19880 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19880 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XNCPTRRGLCVTSGLTACRN HCRSCHRGDVGCVRCSNAQC TGFLGTTCTCINPCPRC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6085.067 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MN5 . "Nmr Structure Of Copsin" . . . . . 98.25 57 100.00 100.00 9.23e-29 . . . . 19880 1 2 no GB AIU55999 . "copsin precursor [Coprinopsis cinerea]" . . . . . 98.25 184 100.00 100.00 1.62e-30 . . . . 19880 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 1 PCA . 19880 1 2 2 ASN . 19880 1 3 3 CYS . 19880 1 4 4 PRO . 19880 1 5 5 THR . 19880 1 6 6 ARG . 19880 1 7 7 ARG . 19880 1 8 8 GLY . 19880 1 9 9 LEU . 19880 1 10 10 CYS . 19880 1 11 11 VAL . 19880 1 12 12 THR . 19880 1 13 13 SER . 19880 1 14 14 GLY . 19880 1 15 15 LEU . 19880 1 16 16 THR . 19880 1 17 17 ALA . 19880 1 18 18 CYS . 19880 1 19 19 ARG . 19880 1 20 20 ASN . 19880 1 21 21 HIS . 19880 1 22 22 CYS . 19880 1 23 23 ARG . 19880 1 24 24 SER . 19880 1 25 25 CYS . 19880 1 26 26 HIS . 19880 1 27 27 ARG . 19880 1 28 28 GLY . 19880 1 29 29 ASP . 19880 1 30 30 VAL . 19880 1 31 31 GLY . 19880 1 32 32 CYS . 19880 1 33 33 VAL . 19880 1 34 34 ARG . 19880 1 35 35 CYS . 19880 1 36 36 SER . 19880 1 37 37 ASN . 19880 1 38 38 ALA . 19880 1 39 39 GLN . 19880 1 40 40 CYS . 19880 1 41 41 THR . 19880 1 42 42 GLY . 19880 1 43 43 PHE . 19880 1 44 44 LEU . 19880 1 45 45 GLY . 19880 1 46 46 THR . 19880 1 47 47 THR . 19880 1 48 48 CYS . 19880 1 49 49 THR . 19880 1 50 50 CYS . 19880 1 51 51 ILE . 19880 1 52 52 ASN . 19880 1 53 53 PRO . 19880 1 54 54 CYS . 19880 1 55 55 PRO . 19880 1 56 56 ARG . 19880 1 57 57 CYS . 19880 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 . PCA 1 1 19880 1 . ASN 2 2 19880 1 . CYS 3 3 19880 1 . PRO 4 4 19880 1 . THR 5 5 19880 1 . ARG 6 6 19880 1 . ARG 7 7 19880 1 . GLY 8 8 19880 1 . LEU 9 9 19880 1 . CYS 10 10 19880 1 . VAL 11 11 19880 1 . THR 12 12 19880 1 . SER 13 13 19880 1 . GLY 14 14 19880 1 . LEU 15 15 19880 1 . THR 16 16 19880 1 . ALA 17 17 19880 1 . CYS 18 18 19880 1 . ARG 19 19 19880 1 . ASN 20 20 19880 1 . HIS 21 21 19880 1 . CYS 22 22 19880 1 . ARG 23 23 19880 1 . SER 24 24 19880 1 . CYS 25 25 19880 1 . HIS 26 26 19880 1 . ARG 27 27 19880 1 . GLY 28 28 19880 1 . ASP 29 29 19880 1 . VAL 30 30 19880 1 . GLY 31 31 19880 1 . CYS 32 32 19880 1 . VAL 33 33 19880 1 . ARG 34 34 19880 1 . CYS 35 35 19880 1 . SER 36 36 19880 1 . ASN 37 37 19880 1 . ALA 38 38 19880 1 . GLN 39 39 19880 1 . CYS 40 40 19880 1 . THR 41 41 19880 1 . GLY 42 42 19880 1 . PHE 43 43 19880 1 . LEU 44 44 19880 1 . GLY 45 45 19880 1 . THR 46 46 19880 1 . THR 47 47 19880 1 . CYS 48 48 19880 1 . THR 49 49 19880 1 . CYS 50 50 19880 1 . ILE 51 51 19880 1 . ASN 52 52 19880 1 . PRO 53 53 19880 1 . CYS 54 54 19880 1 . PRO 55 55 19880 1 . ARG 56 56 19880 1 . CYS 57 57 19880 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 19880 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . 'gene from Coprinopsis cinerea' 19880 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 19880 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . 'not applicable' . . . 19880 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PCA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PCA _Chem_comp.Entry_ID 19880 _Chem_comp.ID PCA _Chem_comp.Provenance PDB _Chem_comp.Name 'PYROGLUTAMIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code PCA _Chem_comp.PDB_code PCA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces PCC _Chem_comp.One_letter_code E _Chem_comp.Three_letter_code PCA _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 9 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID GLU _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H7 N O3' _Chem_comp.Formula_weight 129.114 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1CC(=O)NC1C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 19880 PCA C1CC(=O)N[C@@H]1C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19880 PCA InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 InChI InChI 1.03 19880 PCA O=C(O)C1NC(=O)CC1 SMILES ACDLabs 10.04 19880 PCA OC(=O)[C@@H]1CCC(=O)N1 SMILES_CANONICAL CACTVS 3.341 19880 PCA OC(=O)[CH]1CCC(=O)N1 SMILES CACTVS 3.341 19880 PCA ODHCTXKNWHHXJC-VKHMYHEASA-N InChIKey InChI 1.03 19880 PCA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-5-oxopyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19880 PCA 5-oxo-L-proline 'SYSTEMATIC NAME' ACDLabs 10.04 19880 PCA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 38.821 . 57.719 . 67.990 . 0.713 0.531 -0.633 1 . 19880 PCA CA CA CA CA . C . . S 0 . . . 1 no no . . . . 38.455 . 58.883 . 67.183 . -0.328 0.539 0.400 2 . 19880 PCA CB CB CB CB . C . . N 0 . . . 1 no no . . . . 37.375 . 59.639 . 67.947 . -1.455 -0.368 -0.140 3 . 19880 PCA CG CG CG CG . C . . N 0 . . . 1 no no . . . . 37.746 . 59.312 . 69.375 . -1.232 -0.272 -1.667 4 . 19880 PCA CD CD CD CD . C . . N 0 . . . 1 no no . . . . 38.398 . 57.930 . 69.250 . 0.231 0.082 -1.807 5 . 19880 PCA OE OE OE OE . O . . N 0 . . . 1 no no . . . . 38.575 . 57.133 . 70.197 . 0.876 -0.019 -2.829 6 . 19880 PCA C C C C . C . . N 0 . . . 1 no no . . . . 39.640 . 59.813 . 66.967 . 0.214 -0.015 1.691 7 . 19880 PCA O O O O . O . . N 0 . . . 1 no no . . . . 40.560 . 59.863 . 67.790 . 1.122 -0.812 1.672 8 . 19880 PCA OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 39.626 . 60.540 . 65.853 . -0.311 0.374 2.863 9 . 19880 PCA H H H HN . H . . N 0 . . . 1 no no . . . . 39.309 . 56.868 . 67.709 . 1.631 0.810 -0.489 10 . 19880 PCA HA HA HA HA . H . . N 0 . . . 1 no no . . . . 38.103 . 58.540 . 66.181 . -0.700 1.552 0.552 11 . 19880 PCA HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 37.293 . 60.725 . 67.710 . -1.331 -1.393 0.208 12 . 19880 PCA HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 36.325 . 59.396 . 67.657 . -2.435 0.019 0.136 13 . 19880 PCA HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 38.375 . 60.080 . 69.881 . -1.439 -1.230 -2.144 14 . 19880 PCA HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 36.900 . 59.365 . 70.100 . -1.857 0.511 -2.095 15 . 19880 PCA HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 40.365 . 61.120 . 65.718 . 0.036 0.018 3.692 16 . 19880 PCA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 19880 PCA 2 . SING N CD no N 2 . 19880 PCA 3 . SING N H no N 3 . 19880 PCA 4 . SING CA CB no N 4 . 19880 PCA 5 . SING CA C no N 5 . 19880 PCA 6 . SING CA HA no N 6 . 19880 PCA 7 . SING CB CG no N 7 . 19880 PCA 8 . SING CB HB2 no N 8 . 19880 PCA 9 . SING CB HB3 no N 9 . 19880 PCA 10 . SING CG CD no N 10 . 19880 PCA 11 . SING CG HG2 no N 11 . 19880 PCA 12 . SING CG HG3 no N 12 . 19880 PCA 13 . DOUB CD OE no N 13 . 19880 PCA 14 . DOUB C O no N 14 . 19880 PCA 15 . SING C OXT no N 15 . 19880 PCA 16 . SING OXT HXT no N 16 . 19880 PCA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Copsin_D2O _Sample.Sf_category sample _Sample.Sf_framecode Copsin_D2O _Sample.Entry_ID 19880 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19880 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19880 1 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19880 1 4 Copsin '[U-13C; U-15N]' . . 1 $entity . . . . . . . . . . 19880 1 stop_ save_ save_sample_Copsin _Sample.Sf_category sample _Sample.Sf_framecode sample_Copsin _Sample.Entry_ID 19880 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19880 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19880 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19880 2 4 Copsin '[U-13C; U-15N]' . . 1 $entity . . . . . . . . . . 19880 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19880 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19880 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 19880 1 pH 6.8 . pH 19880 1 pressure 1 . atm 19880 1 temperature 293 . K 19880 1 stop_ save_ save_sample_conditions_high_pH _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_high_pH _Sample_condition_list.Entry_ID 19880 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 19880 2 pH 7.4 . pH 19880 2 pressure 1 . atm 19880 2 temperature 293 . K 19880 2 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19880 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19880 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19880 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19880 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19880 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19880 2 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19880 _Software.ID 3 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 19880 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19880 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19880 _Software.ID 4 _Software.Name XEASY _Software.Version 1.8.4 _Software.Details CARA loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19880 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19880 4 'peak picking' 19880 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19880 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19880 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19880 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19880 _Software.ID 6 _Software.Name TALOS _Software.Version talos+ _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19880 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19880 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19880 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19880 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19880 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19880 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19880 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 19880 1 2 spectrometer_2 Bruker Avance . 600 . . . 19880 1 3 spectrometer_3 Bruker Avance . 700 . . . 19880 1 4 spectrometer_4 Bruker Avance . 900 . . . 19880 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 19880 _Experiment_list.ID 1 _Experiment_list.Details ; the structure calculation was performed using 2D and 3D noesy experiments, including hydrogen bonds determined by long range HNCO spectra ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_Copsin isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_Copsin isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_Copsin isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 4 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_Copsin isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_Copsin isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_Copsin isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_Copsin isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_Copsin isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_Copsin isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $Copsin_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 11 '3D HNCO' no . . . . . . . . . . 1 $Copsin_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19880 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_Copsin isotropic . . 2 $sample_conditions_high_pH . . . . . . . . . . . . . . . . . . . . . 19880 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19880 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; reference spectra was measured afterwards, as possible influence of DSS on the sample wanted to be avoided. The chemical shifts list are not shifted. ; 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 -0.14 na indirect 0.251449530 . . . . . . . . . 19880 1 H 1 DSS 'methyl protons' . . . . ppm -0.14 internal direct 1.000000000 . . . . . . . . . 19880 1 N 15 DSS 'methyl protons' . . . . ppm -0.14 na indirect 0.101329118 . . . . . . . . . 19880 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_13C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 13C _Assigned_chem_shift_list.Entry_ID 19880 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 2 '2D 1H-13C HSQC' . . . 19880 1 3 '2D 1H-1H TOCSY' . . . 19880 1 4 '2D DQF-COSY' . . . 19880 1 5 '2D 1H-1H NOESY' . . . 19880 1 7 '3D HN(CO)CA' . . . 19880 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 PCA CA C 13 59.693 0.300 . . . . . A 1 PCA CA . 19880 1 2 . 1 1 1 1 PCA CB C 13 28.065 0.300 . . . . . A 1 PCA CB . 19880 1 3 . 1 1 1 1 PCA CG C 13 32.002 0.300 . . . . . A 1 PCA CG . 19880 1 4 . 1 1 1 1 PCA H H 1 7.887 0.020 . . . . . A 1 PCA H . 19880 1 5 . 1 1 1 1 PCA HA H 1 4.282 0.020 . . . . . A 1 PCA HA . 19880 1 6 . 1 1 1 1 PCA HB2 H 1 1.997 0.020 . . . . . A 1 PCA HB2 . 19880 1 7 . 1 1 1 1 PCA HB3 H 1 2.471 0.020 . . . . . A 1 PCA HB3 . 19880 1 8 . 1 1 1 1 PCA N N 15 125.290 0.300 . . . . . A 1 PCA N . 19880 1 9 . 1 1 1 1 PCA HG2 H 1 2.320 0.020 . . . . . A 1 PCA QG . 19880 1 10 . 1 1 1 1 PCA HG3 H 1 2.320 0.020 . . . . . A 1 PCA QG . 19880 1 11 . 1 1 2 2 ASN H H 1 8.648 0.020 . . . . . A 2 ASN H . 19880 1 12 . 1 1 2 2 ASN HA H 1 4.761 0.020 . . . . . A 2 ASN HA . 19880 1 13 . 1 1 2 2 ASN HB2 H 1 2.771 0.020 . . . . . A 2 ASN HB2 . 19880 1 14 . 1 1 2 2 ASN HB3 H 1 2.640 0.020 . . . . . A 2 ASN HB3 . 19880 1 15 . 1 1 2 2 ASN HD21 H 1 7.554 0.020 . . . . . A 2 ASN HD21 . 19880 1 16 . 1 1 2 2 ASN HD22 H 1 6.870 0.020 . . . . . A 2 ASN HD22 . 19880 1 17 . 1 1 2 2 ASN CA C 13 52.630 0.300 . . . . . A 2 ASN CA . 19880 1 18 . 1 1 2 2 ASN CB C 13 38.266 0.300 . . . . . A 2 ASN CB . 19880 1 19 . 1 1 2 2 ASN N N 15 120.329 0.300 . . . . . A 2 ASN N . 19880 1 20 . 1 1 2 2 ASN ND2 N 15 113.032 0.300 . . . . . A 2 ASN ND2 . 19880 1 21 . 1 1 3 3 CYS H H 1 7.950 0.020 . . . . . A 3 CYS H . 19880 1 22 . 1 1 3 3 CYS HA H 1 4.820 0.020 . . . . . A 3 CYS HA . 19880 1 23 . 1 1 3 3 CYS HB2 H 1 3.004 0.020 . . . . . A 3 CYS HB2 . 19880 1 24 . 1 1 3 3 CYS HB3 H 1 3.048 0.020 . . . . . A 3 CYS HB3 . 19880 1 25 . 1 1 3 3 CYS CA C 13 52.700 0.300 . . . . . A 3 CYS CA . 19880 1 26 . 1 1 3 3 CYS CB C 13 46.651 0.300 . . . . . A 3 CYS CB . 19880 1 27 . 1 1 3 3 CYS N N 15 117.561 0.300 . . . . . A 3 CYS N . 19880 1 28 . 1 1 4 4 PRO HA H 1 4.505 0.020 . . . . . A 4 PRO HA . 19880 1 29 . 1 1 4 4 PRO HB2 H 1 2.258 0.020 . . . . . A 4 PRO HB2 . 19880 1 30 . 1 1 4 4 PRO HB3 H 1 1.733 0.020 . . . . . A 4 PRO HB3 . 19880 1 31 . 1 1 4 4 PRO HG2 H 1 2.075 0.020 . . . . . A 4 PRO HG2 . 19880 1 32 . 1 1 4 4 PRO HG3 H 1 2.031 0.020 . . . . . A 4 PRO HG3 . 19880 1 33 . 1 1 4 4 PRO HD2 H 1 3.992 0.020 . . . . . A 4 PRO HD2 . 19880 1 34 . 1 1 4 4 PRO HD3 H 1 3.605 0.020 . . . . . A 4 PRO HD3 . 19880 1 35 . 1 1 4 4 PRO CA C 13 63.730 0.300 . . . . . A 4 PRO CA . 19880 1 36 . 1 1 4 4 PRO CB C 13 33.299 0.300 . . . . . A 4 PRO CB . 19880 1 37 . 1 1 4 4 PRO CG C 13 27.361 0.300 . . . . . A 4 PRO CG . 19880 1 38 . 1 1 4 4 PRO CD C 13 51.069 0.300 . . . . . A 4 PRO CD . 19880 1 39 . 1 1 5 5 THR H H 1 8.529 0.020 . . . . . A 5 THR H . 19880 1 40 . 1 1 5 5 THR HA H 1 4.814 0.020 . . . . . A 5 THR HA . 19880 1 41 . 1 1 5 5 THR HB H 1 3.917 0.020 . . . . . A 5 THR HB . 19880 1 42 . 1 1 5 5 THR HG21 H 1 1.108 0.020 . . . . . A 5 THR HG21 . 19880 1 43 . 1 1 5 5 THR HG22 H 1 1.108 0.020 . . . . . A 5 THR HG22 . 19880 1 44 . 1 1 5 5 THR HG23 H 1 1.108 0.020 . . . . . A 5 THR HG23 . 19880 1 45 . 1 1 5 5 THR CA C 13 61.618 0.300 . . . . . A 5 THR CA . 19880 1 46 . 1 1 5 5 THR CB C 13 70.257 0.300 . . . . . A 5 THR CB . 19880 1 47 . 1 1 5 5 THR CG2 C 13 21.027 0.300 . . . . . A 5 THR CG2 . 19880 1 48 . 1 1 5 5 THR N N 15 118.207 0.300 . . . . . A 5 THR N . 19880 1 49 . 1 1 6 6 ARG H H 1 7.693 0.020 . . . . . A 6 ARG H . 19880 1 50 . 1 1 6 6 ARG HA H 1 4.528 0.020 . . . . . A 6 ARG HA . 19880 1 51 . 1 1 6 6 ARG HB2 H 1 1.122 0.020 . . . . . A 6 ARG HB2 . 19880 1 52 . 1 1 6 6 ARG HB3 H 1 0.444 0.020 . . . . . A 6 ARG HB3 . 19880 1 53 . 1 1 6 6 ARG HG2 H 1 1.358 0.020 . . . . . A 6 ARG HG2 . 19880 1 54 . 1 1 6 6 ARG HG3 H 1 1.255 0.020 . . . . . A 6 ARG HG3 . 19880 1 55 . 1 1 6 6 ARG HD2 H 1 3.086 0.020 . . . . . A 6 ARG HD2 . 19880 1 56 . 1 1 6 6 ARG HD3 H 1 3.036 0.020 . . . . . A 6 ARG HD3 . 19880 1 57 . 1 1 6 6 ARG HE H 1 7.281 0.020 . . . . . A 6 ARG HE . 19880 1 58 . 1 1 6 6 ARG CA C 13 54.931 0.300 . . . . . A 6 ARG CA . 19880 1 59 . 1 1 6 6 ARG CB C 13 32.752 0.300 . . . . . A 6 ARG CB . 19880 1 60 . 1 1 6 6 ARG CG C 13 28.575 0.300 . . . . . A 6 ARG CG . 19880 1 61 . 1 1 6 6 ARG CD C 13 43.309 0.300 . . . . . A 6 ARG CD . 19880 1 62 . 1 1 6 6 ARG N N 15 123.211 0.300 . . . . . A 6 ARG N . 19880 1 63 . 1 1 6 6 ARG NE N 15 85.585 0.300 . . . . . A 6 ARG NE . 19880 1 64 . 1 1 7 7 ARG H H 1 8.450 0.020 . . . . . A 7 ARG H . 19880 1 65 . 1 1 7 7 ARG HA H 1 4.666 0.020 . . . . . A 7 ARG HA . 19880 1 66 . 1 1 7 7 ARG HB2 H 1 1.760 0.020 . . . . . A 7 ARG HB2 . 19880 1 67 . 1 1 7 7 ARG HB3 H 1 1.563 0.020 . . . . . A 7 ARG HB3 . 19880 1 68 . 1 1 7 7 ARG HG2 H 1 1.487 0.020 . . . . . A 7 ARG HG2 . 19880 1 69 . 1 1 7 7 ARG HG3 H 1 1.405 0.020 . . . . . A 7 ARG HG3 . 19880 1 70 . 1 1 7 7 ARG HD2 H 1 3.103 0.020 . . . . . A 7 ARG HD2 . 19880 1 71 . 1 1 7 7 ARG HD3 H 1 3.065 0.020 . . . . . A 7 ARG HD3 . 19880 1 72 . 1 1 7 7 ARG HE H 1 7.707 0.020 . . . . . A 7 ARG HE . 19880 1 73 . 1 1 7 7 ARG CA C 13 54.415 0.300 . . . . . A 7 ARG CA . 19880 1 74 . 1 1 7 7 ARG CB C 13 32.673 0.300 . . . . . A 7 ARG CB . 19880 1 75 . 1 1 7 7 ARG CG C 13 26.698 0.300 . . . . . A 7 ARG CG . 19880 1 76 . 1 1 7 7 ARG CD C 13 42.612 0.300 . . . . . A 7 ARG CD . 19880 1 77 . 1 1 7 7 ARG N N 15 121.558 0.300 . . . . . A 7 ARG N . 19880 1 78 . 1 1 7 7 ARG NE N 15 84.680 0.300 . . . . . A 7 ARG NE . 19880 1 79 . 1 1 8 8 GLY H H 1 9.382 0.020 . . . . . A 8 GLY H . 19880 1 80 . 1 1 8 8 GLY HA3 H 1 3.912 0.020 . . . . . A 8 GLY HA3 . 19880 1 81 . 1 1 8 8 GLY CA C 13 46.653 0.300 . . . . . A 8 GLY CA . 19880 1 82 . 1 1 8 8 GLY N N 15 111.006 0.300 . . . . . A 8 GLY N . 19880 1 83 . 1 1 9 9 LEU H H 1 8.215 0.020 . . . . . A 9 LEU H . 19880 1 84 . 1 1 9 9 LEU HA H 1 3.890 0.020 . . . . . A 9 LEU HA . 19880 1 85 . 1 1 9 9 LEU HB2 H 1 1.546 0.020 . . . . . A 9 LEU HB2 . 19880 1 86 . 1 1 9 9 LEU HB3 H 1 0.959 0.020 . . . . . A 9 LEU HB3 . 19880 1 87 . 1 1 9 9 LEU HG H 1 1.117 0.020 . . . . . A 9 LEU HG . 19880 1 88 . 1 1 9 9 LEU HD11 H 1 0.529 0.020 . . . . . A 9 LEU HD11 . 19880 1 89 . 1 1 9 9 LEU HD12 H 1 0.529 0.020 . . . . . A 9 LEU HD12 . 19880 1 90 . 1 1 9 9 LEU HD13 H 1 0.529 0.020 . . . . . A 9 LEU HD13 . 19880 1 91 . 1 1 9 9 LEU HD21 H 1 0.444 0.020 . . . . . A 9 LEU HD21 . 19880 1 92 . 1 1 9 9 LEU HD22 H 1 0.444 0.020 . . . . . A 9 LEU HD22 . 19880 1 93 . 1 1 9 9 LEU HD23 H 1 0.444 0.020 . . . . . A 9 LEU HD23 . 19880 1 94 . 1 1 9 9 LEU CA C 13 57.754 0.300 . . . . . A 9 LEU CA . 19880 1 95 . 1 1 9 9 LEU CB C 13 42.770 0.300 . . . . . A 9 LEU CB . 19880 1 96 . 1 1 9 9 LEU CG C 13 26.773 0.300 . . . . . A 9 LEU CG . 19880 1 97 . 1 1 9 9 LEU CD1 C 13 22.657 0.300 . . . . . A 9 LEU CD1 . 19880 1 98 . 1 1 9 9 LEU CD2 C 13 27.242 0.300 . . . . . A 9 LEU CD2 . 19880 1 99 . 1 1 9 9 LEU N N 15 119.202 0.300 . . . . . A 9 LEU N . 19880 1 100 . 1 1 10 10 CYS H H 1 9.282 0.020 . . . . . A 10 CYS H . 19880 1 101 . 1 1 10 10 CYS HA H 1 3.890 0.020 . . . . . A 10 CYS HA . 19880 1 102 . 1 1 10 10 CYS HB2 H 1 3.179 0.020 . . . . . A 10 CYS HB2 . 19880 1 103 . 1 1 10 10 CYS HB3 H 1 2.786 0.020 . . . . . A 10 CYS HB3 . 19880 1 104 . 1 1 10 10 CYS CA C 13 61.378 0.300 . . . . . A 10 CYS CA . 19880 1 105 . 1 1 10 10 CYS CB C 13 42.589 0.300 . . . . . A 10 CYS CB . 19880 1 106 . 1 1 10 10 CYS N N 15 115.050 0.300 . . . . . A 10 CYS N . 19880 1 107 . 1 1 11 11 VAL H H 1 7.315 0.020 . . . . . A 11 VAL H . 19880 1 108 . 1 1 11 11 VAL HA H 1 3.771 0.020 . . . . . A 11 VAL HA . 19880 1 109 . 1 1 11 11 VAL HB H 1 2.092 0.020 . . . . . A 11 VAL HB . 19880 1 110 . 1 1 11 11 VAL HG11 H 1 0.831 0.020 . . . . . A 11 VAL HG11 . 19880 1 111 . 1 1 11 11 VAL HG12 H 1 0.831 0.020 . . . . . A 11 VAL HG12 . 19880 1 112 . 1 1 11 11 VAL HG13 H 1 0.831 0.020 . . . . . A 11 VAL HG13 . 19880 1 113 . 1 1 11 11 VAL HG21 H 1 0.912 0.020 . . . . . A 11 VAL HG21 . 19880 1 114 . 1 1 11 11 VAL HG22 H 1 0.912 0.020 . . . . . A 11 VAL HG22 . 19880 1 115 . 1 1 11 11 VAL HG23 H 1 0.912 0.020 . . . . . A 11 VAL HG23 . 19880 1 116 . 1 1 11 11 VAL CA C 13 64.508 0.300 . . . . . A 11 VAL CA . 19880 1 117 . 1 1 11 11 VAL CB C 13 32.598 0.300 . . . . . A 11 VAL CB . 19880 1 118 . 1 1 11 11 VAL CG1 C 13 21.029 0.300 . . . . . A 11 VAL CG1 . 19880 1 119 . 1 1 11 11 VAL CG2 C 13 21.916 0.300 . . . . . A 11 VAL CG2 . 19880 1 120 . 1 1 11 11 VAL N N 15 117.792 0.300 . . . . . A 11 VAL N . 19880 1 121 . 1 1 12 12 THR H H 1 8.214 0.020 . . . . . A 12 THR H . 19880 1 122 . 1 1 12 12 THR HA H 1 4.044 0.020 . . . . . A 12 THR HA . 19880 1 123 . 1 1 12 12 THR HB H 1 4.124 0.020 . . . . . A 12 THR HB . 19880 1 124 . 1 1 12 12 THR HG21 H 1 1.153 0.020 . . . . . A 12 THR HG21 . 19880 1 125 . 1 1 12 12 THR HG22 H 1 1.153 0.020 . . . . . A 12 THR HG22 . 19880 1 126 . 1 1 12 12 THR HG23 H 1 1.153 0.020 . . . . . A 12 THR HG23 . 19880 1 127 . 1 1 12 12 THR CA C 13 63.575 0.300 . . . . . A 12 THR CA . 19880 1 128 . 1 1 12 12 THR CB C 13 69.400 0.300 . . . . . A 12 THR CB . 19880 1 129 . 1 1 12 12 THR CG2 C 13 21.751 0.300 . . . . . A 12 THR CG2 . 19880 1 130 . 1 1 12 12 THR N N 15 109.816 0.300 . . . . . A 12 THR N . 19880 1 131 . 1 1 13 13 SER H H 1 7.511 0.020 . . . . . A 13 SER H . 19880 1 132 . 1 1 13 13 SER HA H 1 4.607 0.020 . . . . . A 13 SER HA . 19880 1 133 . 1 1 13 13 SER HB2 H 1 3.665 0.020 . . . . . A 13 SER HB2 . 19880 1 134 . 1 1 13 13 SER HB3 H 1 3.598 0.020 . . . . . A 13 SER HB3 . 19880 1 135 . 1 1 13 13 SER CA C 13 59.460 0.300 . . . . . A 13 SER CA . 19880 1 136 . 1 1 13 13 SER CB C 13 64.586 0.300 . . . . . A 13 SER CB . 19880 1 137 . 1 1 13 13 SER N N 15 114.455 0.300 . . . . . A 13 SER N . 19880 1 138 . 1 1 14 14 GLY H H 1 8.376 0.020 . . . . . A 14 GLY H . 19880 1 139 . 1 1 14 14 GLY HA2 H 1 4.466 0.020 . . . . . A 14 GLY HA2 . 19880 1 140 . 1 1 14 14 GLY HA3 H 1 3.901 0.020 . . . . . A 14 GLY HA3 . 19880 1 141 . 1 1 14 14 GLY CA C 13 44.324 0.300 . . . . . A 14 GLY CA . 19880 1 142 . 1 1 14 14 GLY N N 15 109.125 0.300 . . . . . A 14 GLY N . 19880 1 143 . 1 1 15 15 LEU H H 1 8.469 0.020 . . . . . A 15 LEU H . 19880 1 144 . 1 1 15 15 LEU HA H 1 3.936 0.020 . . . . . A 15 LEU HA . 19880 1 145 . 1 1 15 15 LEU HB2 H 1 1.693 0.020 . . . . . A 15 LEU HB2 . 19880 1 146 . 1 1 15 15 LEU HB3 H 1 1.444 0.020 . . . . . A 15 LEU HB3 . 19880 1 147 . 1 1 15 15 LEU HG H 1 1.290 0.020 . . . . . A 15 LEU HG . 19880 1 148 . 1 1 15 15 LEU HD11 H 1 0.862 0.020 . . . . . A 15 LEU HD11 . 19880 1 149 . 1 1 15 15 LEU HD12 H 1 0.862 0.020 . . . . . A 15 LEU HD12 . 19880 1 150 . 1 1 15 15 LEU HD13 H 1 0.862 0.020 . . . . . A 15 LEU HD13 . 19880 1 151 . 1 1 15 15 LEU HD21 H 1 0.766 0.020 . . . . . A 15 LEU HD21 . 19880 1 152 . 1 1 15 15 LEU HD22 H 1 0.766 0.020 . . . . . A 15 LEU HD22 . 19880 1 153 . 1 1 15 15 LEU HD23 H 1 0.766 0.020 . . . . . A 15 LEU HD23 . 19880 1 154 . 1 1 15 15 LEU CA C 13 57.986 0.300 . . . . . A 15 LEU CA . 19880 1 155 . 1 1 15 15 LEU CB C 13 41.526 0.300 . . . . . A 15 LEU CB . 19880 1 156 . 1 1 15 15 LEU CG C 13 27.317 0.300 . . . . . A 15 LEU CG . 19880 1 157 . 1 1 15 15 LEU CD1 C 13 25.765 0.300 . . . . . A 15 LEU CD1 . 19880 1 158 . 1 1 15 15 LEU CD2 C 13 22.851 0.300 . . . . . A 15 LEU CD2 . 19880 1 159 . 1 1 15 15 LEU N N 15 120.782 0.300 . . . . . A 15 LEU N . 19880 1 160 . 1 1 16 16 THR H H 1 8.487 0.020 . . . . . A 16 THR H . 19880 1 161 . 1 1 16 16 THR HA H 1 3.602 0.020 . . . . . A 16 THR HA . 19880 1 162 . 1 1 16 16 THR HB H 1 4.013 0.020 . . . . . A 16 THR HB . 19880 1 163 . 1 1 16 16 THR HG21 H 1 1.069 0.020 . . . . . A 16 THR HG21 . 19880 1 164 . 1 1 16 16 THR HG22 H 1 1.069 0.020 . . . . . A 16 THR HG22 . 19880 1 165 . 1 1 16 16 THR HG23 H 1 1.069 0.020 . . . . . A 16 THR HG23 . 19880 1 166 . 1 1 16 16 THR CA C 13 67.196 0.300 . . . . . A 16 THR CA . 19880 1 167 . 1 1 16 16 THR CB C 13 68.003 0.300 . . . . . A 16 THR CB . 19880 1 168 . 1 1 16 16 THR CG2 C 13 21.841 0.300 . . . . . A 16 THR CG2 . 19880 1 169 . 1 1 16 16 THR N N 15 115.887 0.300 . . . . . A 16 THR N . 19880 1 170 . 1 1 17 17 ALA H H 1 7.609 0.020 . . . . . A 17 ALA H . 19880 1 171 . 1 1 17 17 ALA HA H 1 4.014 0.020 . . . . . A 17 ALA HA . 19880 1 172 . 1 1 17 17 ALA HB1 H 1 1.326 0.020 . . . . . A 17 ALA HB1 . 19880 1 173 . 1 1 17 17 ALA HB2 H 1 1.326 0.020 . . . . . A 17 ALA HB2 . 19880 1 174 . 1 1 17 17 ALA HB3 H 1 1.326 0.020 . . . . . A 17 ALA HB3 . 19880 1 175 . 1 1 17 17 ALA CA C 13 54.841 0.300 . . . . . A 17 ALA CA . 19880 1 176 . 1 1 17 17 ALA CB C 13 18.931 0.300 . . . . . A 17 ALA CB . 19880 1 177 . 1 1 17 17 ALA N N 15 122.643 0.300 . . . . . A 17 ALA N . 19880 1 178 . 1 1 18 18 CYS H H 1 7.644 0.020 . . . . . A 18 CYS H . 19880 1 179 . 1 1 18 18 CYS HA H 1 4.253 0.020 . . . . . A 18 CYS HA . 19880 1 180 . 1 1 18 18 CYS HB2 H 1 2.869 0.020 . . . . . A 18 CYS HB2 . 19880 1 181 . 1 1 18 18 CYS HB3 H 1 2.666 0.020 . . . . . A 18 CYS HB3 . 19880 1 182 . 1 1 18 18 CYS CA C 13 58.453 0.300 . . . . . A 18 CYS CA . 19880 1 183 . 1 1 18 18 CYS CB C 13 37.646 0.300 . . . . . A 18 CYS CB . 19880 1 184 . 1 1 18 18 CYS N N 15 118.252 0.300 . . . . . A 18 CYS N . 19880 1 185 . 1 1 19 19 ARG H H 1 9.072 0.020 . . . . . A 19 ARG H . 19880 1 186 . 1 1 19 19 ARG HA H 1 3.475 0.020 . . . . . A 19 ARG HA . 19880 1 187 . 1 1 19 19 ARG HB2 H 1 1.763 0.020 . . . . . A 19 ARG HB2 . 19880 1 188 . 1 1 19 19 ARG HB3 H 1 1.608 0.020 . . . . . A 19 ARG HB3 . 19880 1 189 . 1 1 19 19 ARG HG2 H 1 1.353 0.020 . . . . . A 19 ARG HG2 . 19880 1 190 . 1 1 19 19 ARG HG3 H 1 1.353 0.020 . . . . . A 19 ARG HG3 . 19880 1 191 . 1 1 19 19 ARG HD2 H 1 3.130 0.020 . . . . . A 19 ARG HD2 . 19880 1 192 . 1 1 19 19 ARG HD3 H 1 3.089 0.020 . . . . . A 19 ARG HD3 . 19880 1 193 . 1 1 19 19 ARG HE H 1 6.966 0.020 . . . . . A 19 ARG HE . 19880 1 194 . 1 1 19 19 ARG CA C 13 60.552 0.300 . . . . . A 19 ARG CA . 19880 1 195 . 1 1 19 19 ARG CB C 13 29.801 0.300 . . . . . A 19 ARG CB . 19880 1 196 . 1 1 19 19 ARG CG C 13 28.713 0.300 . . . . . A 19 ARG CG . 19880 1 197 . 1 1 19 19 ARG CD C 13 43.699 0.300 . . . . . A 19 ARG CD . 19880 1 198 . 1 1 19 19 ARG N N 15 120.422 0.300 . . . . . A 19 ARG N . 19880 1 199 . 1 1 19 19 ARG NE N 15 83.508 0.300 . . . . . A 19 ARG NE . 19880 1 200 . 1 1 20 20 ASN H H 1 8.411 0.020 . . . . . A 20 ASN H . 19880 1 201 . 1 1 20 20 ASN HA H 1 4.212 0.020 . . . . . A 20 ASN HA . 19880 1 202 . 1 1 20 20 ASN HB2 H 1 2.703 0.020 . . . . . A 20 ASN HB2 . 19880 1 203 . 1 1 20 20 ASN HB3 H 1 2.703 0.020 . . . . . A 20 ASN HB3 . 19880 1 204 . 1 1 20 20 ASN HD21 H 1 7.546 0.020 . . . . . A 20 ASN HD21 . 19880 1 205 . 1 1 20 20 ASN HD22 H 1 6.802 0.020 . . . . . A 20 ASN HD22 . 19880 1 206 . 1 1 20 20 ASN CA C 13 55.611 0.300 . . . . . A 20 ASN CA . 19880 1 207 . 1 1 20 20 ASN CB C 13 37.255 0.300 . . . . . A 20 ASN CB . 19880 1 208 . 1 1 20 20 ASN N N 15 117.466 0.300 . . . . . A 20 ASN N . 19880 1 209 . 1 1 20 20 ASN ND2 N 15 111.471 0.300 . . . . . A 20 ASN ND2 . 19880 1 210 . 1 1 21 21 HIS H H 1 7.827 0.020 . . . . . A 21 HIS H . 19880 1 211 . 1 1 21 21 HIS HA H 1 4.174 0.020 . . . . . A 21 HIS HA . 19880 1 212 . 1 1 21 21 HIS HB2 H 1 3.030 0.020 . . . . . A 21 HIS HB2 . 19880 1 213 . 1 1 21 21 HIS HB3 H 1 2.858 0.020 . . . . . A 21 HIS HB3 . 19880 1 214 . 1 1 21 21 HIS HD2 H 1 6.572 0.020 . . . . . A 21 HIS HD2 . 19880 1 215 . 1 1 21 21 HIS HE1 H 1 7.485 0.020 . . . . . A 21 HIS HE1 . 19880 1 216 . 1 1 21 21 HIS CA C 13 59.154 0.300 . . . . . A 21 HIS CA . 19880 1 217 . 1 1 21 21 HIS CB C 13 31.588 0.300 . . . . . A 21 HIS CB . 19880 1 218 . 1 1 21 21 HIS CD2 C 13 118.691 0.300 . . . . . A 21 HIS CD2 . 19880 1 219 . 1 1 21 21 HIS CE1 C 13 137.934 0.300 . . . . . A 21 HIS CE1 . 19880 1 220 . 1 1 21 21 HIS N N 15 120.420 0.300 . . . . . A 21 HIS N . 19880 1 221 . 1 1 22 22 CYS H H 1 8.500 0.020 . . . . . A 22 CYS H . 19880 1 222 . 1 1 22 22 CYS HA H 1 3.159 0.020 . . . . . A 22 CYS HA . 19880 1 223 . 1 1 22 22 CYS HB2 H 1 2.493 0.020 . . . . . A 22 CYS HB2 . 19880 1 224 . 1 1 22 22 CYS HB3 H 1 2.355 0.020 . . . . . A 22 CYS HB3 . 19880 1 225 . 1 1 22 22 CYS CA C 13 58.221 0.300 . . . . . A 22 CYS CA . 19880 1 226 . 1 1 22 22 CYS CB C 13 37.178 0.300 . . . . . A 22 CYS CB . 19880 1 227 . 1 1 22 22 CYS N N 15 117.510 0.300 . . . . . A 22 CYS N . 19880 1 228 . 1 1 23 23 ARG H H 1 7.985 0.020 . . . . . A 23 ARG H . 19880 1 229 . 1 1 23 23 ARG HA H 1 4.653 0.020 . . . . . A 23 ARG HA . 19880 1 230 . 1 1 23 23 ARG HB2 H 1 1.949 0.020 . . . . . A 23 ARG HB2 . 19880 1 231 . 1 1 23 23 ARG HB3 H 1 1.592 0.020 . . . . . A 23 ARG HB3 . 19880 1 232 . 1 1 23 23 ARG HG2 H 1 1.494 0.020 . . . . . A 23 ARG HG2 . 19880 1 233 . 1 1 23 23 ARG HG3 H 1 1.388 0.020 . . . . . A 23 ARG HG3 . 19880 1 234 . 1 1 23 23 ARG HD2 H 1 3.004 0.020 . . . . . A 23 ARG HD2 . 19880 1 235 . 1 1 23 23 ARG HD3 H 1 2.946 0.020 . . . . . A 23 ARG HD3 . 19880 1 236 . 1 1 23 23 ARG HE H 1 6.673 0.020 . . . . . A 23 ARG HE . 19880 1 237 . 1 1 23 23 ARG CA C 13 57.028 0.300 . . . . . A 23 ARG CA . 19880 1 238 . 1 1 23 23 ARG CB C 13 30.655 0.300 . . . . . A 23 ARG CB . 19880 1 239 . 1 1 23 23 ARG CG C 13 27.939 0.300 . . . . . A 23 ARG CG . 19880 1 240 . 1 1 23 23 ARG CD C 13 43.732 0.300 . . . . . A 23 ARG CD . 19880 1 241 . 1 1 23 23 ARG N N 15 116.564 0.300 . . . . . A 23 ARG N . 19880 1 242 . 1 1 23 23 ARG NE N 15 83.674 0.300 . . . . . A 23 ARG NE . 19880 1 243 . 1 1 24 24 SER H H 1 7.435 0.020 . . . . . A 24 SER H . 19880 1 244 . 1 1 24 24 SER HA H 1 4.552 0.020 . . . . . A 24 SER HA . 19880 1 245 . 1 1 24 24 SER HB2 H 1 3.977 0.020 . . . . . A 24 SER HB2 . 19880 1 246 . 1 1 24 24 SER HB3 H 1 3.977 0.020 . . . . . A 24 SER HB3 . 19880 1 247 . 1 1 24 24 SER CA C 13 57.592 0.300 . . . . . A 24 SER CA . 19880 1 248 . 1 1 24 24 SER CB C 13 65.284 0.300 . . . . . A 24 SER CB . 19880 1 249 . 1 1 24 24 SER N N 15 116.727 0.300 . . . . . A 24 SER N . 19880 1 250 . 1 1 25 25 CYS H H 1 9.000 0.020 . . . . . A 25 CYS H . 19880 1 251 . 1 1 25 25 CYS HA H 1 4.636 0.020 . . . . . A 25 CYS HA . 19880 1 252 . 1 1 25 25 CYS HB2 H 1 2.949 0.020 . . . . . A 25 CYS HB2 . 19880 1 253 . 1 1 25 25 CYS HB3 H 1 2.812 0.020 . . . . . A 25 CYS HB3 . 19880 1 254 . 1 1 25 25 CYS CA C 13 56.614 0.300 . . . . . A 25 CYS CA . 19880 1 255 . 1 1 25 25 CYS CB C 13 39.273 0.300 . . . . . A 25 CYS CB . 19880 1 256 . 1 1 25 25 CYS N N 15 121.909 0.300 . . . . . A 25 CYS N . 19880 1 257 . 1 1 26 26 HIS H H 1 9.255 0.020 . . . . . A 26 HIS H . 19880 1 258 . 1 1 26 26 HIS HA H 1 4.952 0.020 . . . . . A 26 HIS HA . 19880 1 259 . 1 1 26 26 HIS HB2 H 1 3.068 0.020 . . . . . A 26 HIS HB2 . 19880 1 260 . 1 1 26 26 HIS HB3 H 1 2.579 0.020 . . . . . A 26 HIS HB3 . 19880 1 261 . 1 1 26 26 HIS HD2 H 1 6.863 0.020 . . . . . A 26 HIS HD2 . 19880 1 262 . 1 1 26 26 HIS HE1 H 1 8.304 0.020 . . . . . A 26 HIS HE1 . 19880 1 263 . 1 1 26 26 HIS HE2 H 1 12.811 0.020 . . . . . A 26 HIS HE2 . 19880 1 264 . 1 1 26 26 HIS CA C 13 54.722 0.300 . . . . . A 26 HIS CA . 19880 1 265 . 1 1 26 26 HIS CB C 13 32.100 0.300 . . . . . A 26 HIS CB . 19880 1 266 . 1 1 26 26 HIS CD2 C 13 119.631 0.300 . . . . . A 26 HIS CD2 . 19880 1 267 . 1 1 26 26 HIS CE1 C 13 134.996 0.300 . . . . . A 26 HIS CE1 . 19880 1 268 . 1 1 26 26 HIS N N 15 126.609 0.300 . . . . . A 26 HIS N . 19880 1 269 . 1 1 26 26 HIS NE2 N 15 178.216 0.300 . . . . . A 26 HIS NE2 . 19880 1 270 . 1 1 27 27 ARG H H 1 8.314 0.020 . . . . . A 27 ARG H . 19880 1 271 . 1 1 27 27 ARG HA H 1 4.022 0.020 . . . . . A 27 ARG HA . 19880 1 272 . 1 1 27 27 ARG HB2 H 1 1.874 0.020 . . . . . A 27 ARG HB2 . 19880 1 273 . 1 1 27 27 ARG HB3 H 1 1.461 0.020 . . . . . A 27 ARG HB3 . 19880 1 274 . 1 1 27 27 ARG HG2 H 1 1.619 0.020 . . . . . A 27 ARG HG2 . 19880 1 275 . 1 1 27 27 ARG HG3 H 1 1.485 0.020 . . . . . A 27 ARG HG3 . 19880 1 276 . 1 1 27 27 ARG HD2 H 1 3.034 0.020 . . . . . A 27 ARG HD2 . 19880 1 277 . 1 1 27 27 ARG HD3 H 1 3.034 0.020 . . . . . A 27 ARG HD3 . 19880 1 278 . 1 1 27 27 ARG HE H 1 7.062 0.020 . . . . . A 27 ARG HE . 19880 1 279 . 1 1 27 27 ARG CA C 13 57.477 0.300 . . . . . A 27 ARG CA . 19880 1 280 . 1 1 27 27 ARG CB C 13 29.880 0.300 . . . . . A 27 ARG CB . 19880 1 281 . 1 1 27 27 ARG CG C 13 26.774 0.300 . . . . . A 27 ARG CG . 19880 1 282 . 1 1 27 27 ARG CD C 13 42.692 0.300 . . . . . A 27 ARG CD . 19880 1 283 . 1 1 27 27 ARG N N 15 122.033 0.300 . . . . . A 27 ARG N . 19880 1 284 . 1 1 27 27 ARG NE N 15 84.548 0.300 . . . . . A 27 ARG NE . 19880 1 285 . 1 1 28 28 GLY H H 1 8.495 0.020 . . . . . A 28 GLY H . 19880 1 286 . 1 1 28 28 GLY HA2 H 1 4.674 0.020 . . . . . A 28 GLY HA2 . 19880 1 287 . 1 1 28 28 GLY HA3 H 1 3.645 0.020 . . . . . A 28 GLY HA3 . 19880 1 288 . 1 1 28 28 GLY CA C 13 43.972 0.300 . . . . . A 28 GLY CA . 19880 1 289 . 1 1 28 28 GLY N N 15 119.213 0.300 . . . . . A 28 GLY N . 19880 1 290 . 1 1 29 29 ASP H H 1 8.646 0.020 . . . . . A 29 ASP H . 19880 1 291 . 1 1 29 29 ASP HA H 1 4.264 0.020 . . . . . A 29 ASP HA . 19880 1 292 . 1 1 29 29 ASP HB2 H 1 2.670 0.020 . . . . . A 29 ASP HB2 . 19880 1 293 . 1 1 29 29 ASP HB3 H 1 2.569 0.020 . . . . . A 29 ASP HB3 . 19880 1 294 . 1 1 29 29 ASP CA C 13 57.446 0.300 . . . . . A 29 ASP CA . 19880 1 295 . 1 1 29 29 ASP CB C 13 40.438 0.300 . . . . . A 29 ASP CB . 19880 1 296 . 1 1 29 29 ASP N N 15 121.258 0.300 . . . . . A 29 ASP N . 19880 1 297 . 1 1 30 30 VAL H H 1 8.026 0.020 . . . . . A 30 VAL H . 19880 1 298 . 1 1 30 30 VAL HA H 1 4.223 0.020 . . . . . A 30 VAL HA . 19880 1 299 . 1 1 30 30 VAL HB H 1 2.100 0.020 . . . . . A 30 VAL HB . 19880 1 300 . 1 1 30 30 VAL HG11 H 1 0.700 0.020 . . . . . A 30 VAL HG11 . 19880 1 301 . 1 1 30 30 VAL HG12 H 1 0.700 0.020 . . . . . A 30 VAL HG12 . 19880 1 302 . 1 1 30 30 VAL HG13 H 1 0.700 0.020 . . . . . A 30 VAL HG13 . 19880 1 303 . 1 1 30 30 VAL HG21 H 1 0.777 0.020 . . . . . A 30 VAL HG21 . 19880 1 304 . 1 1 30 30 VAL HG22 H 1 0.777 0.020 . . . . . A 30 VAL HG22 . 19880 1 305 . 1 1 30 30 VAL HG23 H 1 0.777 0.020 . . . . . A 30 VAL HG23 . 19880 1 306 . 1 1 30 30 VAL CA C 13 61.407 0.300 . . . . . A 30 VAL CA . 19880 1 307 . 1 1 30 30 VAL CB C 13 32.905 0.300 . . . . . A 30 VAL CB . 19880 1 308 . 1 1 30 30 VAL CG1 C 13 19.476 0.300 . . . . . A 30 VAL CG1 . 19880 1 309 . 1 1 30 30 VAL CG2 C 13 21.104 0.300 . . . . . A 30 VAL CG2 . 19880 1 310 . 1 1 30 30 VAL N N 15 112.703 0.300 . . . . . A 30 VAL N . 19880 1 311 . 1 1 31 31 GLY H H 1 7.511 0.020 . . . . . A 31 GLY H . 19880 1 312 . 1 1 31 31 GLY HA2 H 1 4.049 0.020 . . . . . A 31 GLY HA2 . 19880 1 313 . 1 1 31 31 GLY HA3 H 1 3.667 0.020 . . . . . A 31 GLY HA3 . 19880 1 314 . 1 1 31 31 GLY CA C 13 44.366 0.300 . . . . . A 31 GLY CA . 19880 1 315 . 1 1 31 31 GLY N N 15 109.481 0.300 . . . . . A 31 GLY N . 19880 1 316 . 1 1 32 32 CYS H H 1 8.554 0.020 . . . . . A 32 CYS H . 19880 1 317 . 1 1 32 32 CYS HA H 1 4.946 0.020 . . . . . A 32 CYS HA . 19880 1 318 . 1 1 32 32 CYS HB2 H 1 2.838 0.020 . . . . . A 32 CYS HB2 . 19880 1 319 . 1 1 32 32 CYS HB3 H 1 2.838 0.020 . . . . . A 32 CYS HB3 . 19880 1 320 . 1 1 32 32 CYS CA C 13 54.181 0.300 . . . . . A 32 CYS CA . 19880 1 321 . 1 1 32 32 CYS CB C 13 41.296 0.300 . . . . . A 32 CYS CB . 19880 1 322 . 1 1 32 32 CYS N N 15 121.673 0.300 . . . . . A 32 CYS N . 19880 1 323 . 1 1 33 33 VAL H H 1 9.025 0.020 . . . . . A 33 VAL H . 19880 1 324 . 1 1 33 33 VAL HA H 1 4.795 0.020 . . . . . A 33 VAL HA . 19880 1 325 . 1 1 33 33 VAL HB H 1 1.612 0.020 . . . . . A 33 VAL HB . 19880 1 326 . 1 1 33 33 VAL HG11 H 1 0.321 0.020 . . . . . A 33 VAL HG11 . 19880 1 327 . 1 1 33 33 VAL HG12 H 1 0.321 0.020 . . . . . A 33 VAL HG12 . 19880 1 328 . 1 1 33 33 VAL HG13 H 1 0.321 0.020 . . . . . A 33 VAL HG13 . 19880 1 329 . 1 1 33 33 VAL HG21 H 1 0.554 0.020 . . . . . A 33 VAL HG21 . 19880 1 330 . 1 1 33 33 VAL HG22 H 1 0.554 0.020 . . . . . A 33 VAL HG22 . 19880 1 331 . 1 1 33 33 VAL HG23 H 1 0.554 0.020 . . . . . A 33 VAL HG23 . 19880 1 332 . 1 1 33 33 VAL CA C 13 59.311 0.300 . . . . . A 33 VAL CA . 19880 1 333 . 1 1 33 33 VAL CB C 13 36.480 0.300 . . . . . A 33 VAL CB . 19880 1 334 . 1 1 33 33 VAL CG1 C 13 17.690 0.300 . . . . . A 33 VAL CG1 . 19880 1 335 . 1 1 33 33 VAL CG2 C 13 22.504 0.300 . . . . . A 33 VAL CG2 . 19880 1 336 . 1 1 33 33 VAL N N 15 119.401 0.300 . . . . . A 33 VAL N . 19880 1 337 . 1 1 34 34 ARG H H 1 8.350 0.020 . . . . . A 34 ARG H . 19880 1 338 . 1 1 34 34 ARG HA H 1 4.699 0.020 . . . . . A 34 ARG HA . 19880 1 339 . 1 1 34 34 ARG HB2 H 1 1.484 0.020 . . . . . A 34 ARG HB2 . 19880 1 340 . 1 1 34 34 ARG HB3 H 1 1.484 0.020 . . . . . A 34 ARG HB3 . 19880 1 341 . 1 1 34 34 ARG HG2 H 1 1.441 0.020 . . . . . A 34 ARG HG2 . 19880 1 342 . 1 1 34 34 ARG HG3 H 1 1.244 0.020 . . . . . A 34 ARG HG3 . 19880 1 343 . 1 1 34 34 ARG HD2 H 1 3.070 0.020 . . . . . A 34 ARG HD2 . 19880 1 344 . 1 1 34 34 ARG HD3 H 1 3.070 0.020 . . . . . A 34 ARG HD3 . 19880 1 345 . 1 1 34 34 ARG HE H 1 7.186 0.020 . . . . . A 34 ARG HE . 19880 1 346 . 1 1 34 34 ARG CA C 13 55.192 0.300 . . . . . A 34 ARG CA . 19880 1 347 . 1 1 34 34 ARG CB C 13 33.138 0.300 . . . . . A 34 ARG CB . 19880 1 348 . 1 1 34 34 ARG CG C 13 27.205 0.300 . . . . . A 34 ARG CG . 19880 1 349 . 1 1 34 34 ARG CD C 13 43.821 0.300 . . . . . A 34 ARG CD . 19880 1 350 . 1 1 34 34 ARG N N 15 120.394 0.300 . . . . . A 34 ARG N . 19880 1 351 . 1 1 34 34 ARG NE N 15 84.450 0.300 . . . . . A 34 ARG NE . 19880 1 352 . 1 1 35 35 CYS H H 1 8.567 0.020 . . . . . A 35 CYS H . 19880 1 353 . 1 1 35 35 CYS HA H 1 6.051 0.020 . . . . . A 35 CYS HA . 19880 1 354 . 1 1 35 35 CYS HB2 H 1 3.490 0.020 . . . . . A 35 CYS HB2 . 19880 1 355 . 1 1 35 35 CYS HB3 H 1 2.606 0.020 . . . . . A 35 CYS HB3 . 19880 1 356 . 1 1 35 35 CYS CA C 13 55.277 0.300 . . . . . A 35 CYS CA . 19880 1 357 . 1 1 35 35 CYS CB C 13 44.553 0.300 . . . . . A 35 CYS CB . 19880 1 358 . 1 1 35 35 CYS N N 15 118.098 0.300 . . . . . A 35 CYS N . 19880 1 359 . 1 1 36 36 SER H H 1 7.669 0.020 . . . . . A 36 SER H . 19880 1 360 . 1 1 36 36 SER HA H 1 4.326 0.020 . . . . . A 36 SER HA . 19880 1 361 . 1 1 36 36 SER HB2 H 1 3.723 0.020 . . . . . A 36 SER HB2 . 19880 1 362 . 1 1 36 36 SER HB3 H 1 3.684 0.020 . . . . . A 36 SER HB3 . 19880 1 363 . 1 1 36 36 SER CA C 13 60.945 0.300 . . . . . A 36 SER CA . 19880 1 364 . 1 1 36 36 SER CB C 13 64.743 0.300 . . . . . A 36 SER CB . 19880 1 365 . 1 1 36 36 SER N N 15 114.009 0.300 . . . . . A 36 SER N . 19880 1 366 . 1 1 37 37 ASN H H 1 7.755 0.020 . . . . . A 37 ASN H . 19880 1 367 . 1 1 37 37 ASN HA H 1 4.408 0.020 . . . . . A 37 ASN HA . 19880 1 368 . 1 1 37 37 ASN HB2 H 1 2.715 0.020 . . . . . A 37 ASN HB2 . 19880 1 369 . 1 1 37 37 ASN HB3 H 1 2.494 0.020 . . . . . A 37 ASN HB3 . 19880 1 370 . 1 1 37 37 ASN HD21 H 1 7.734 0.020 . . . . . A 37 ASN HD21 . 19880 1 371 . 1 1 37 37 ASN HD22 H 1 7.123 0.020 . . . . . A 37 ASN HD22 . 19880 1 372 . 1 1 37 37 ASN CA C 13 52.086 0.300 . . . . . A 37 ASN CA . 19880 1 373 . 1 1 37 37 ASN CB C 13 41.374 0.300 . . . . . A 37 ASN CB . 19880 1 374 . 1 1 37 37 ASN N N 15 117.050 0.300 . . . . . A 37 ASN N . 19880 1 375 . 1 1 37 37 ASN ND2 N 15 113.245 0.300 . . . . . A 37 ASN ND2 . 19880 1 376 . 1 1 38 38 ALA H H 1 9.323 0.020 . . . . . A 38 ALA H . 19880 1 377 . 1 1 38 38 ALA HA H 1 5.162 0.020 . . . . . A 38 ALA HA . 19880 1 378 . 1 1 38 38 ALA HB1 H 1 1.269 0.020 . . . . . A 38 ALA HB1 . 19880 1 379 . 1 1 38 38 ALA HB2 H 1 1.269 0.020 . . . . . A 38 ALA HB2 . 19880 1 380 . 1 1 38 38 ALA HB3 H 1 1.269 0.020 . . . . . A 38 ALA HB3 . 19880 1 381 . 1 1 38 38 ALA CA C 13 52.134 0.300 . . . . . A 38 ALA CA . 19880 1 382 . 1 1 38 38 ALA CB C 13 19.193 0.300 . . . . . A 38 ALA CB . 19880 1 383 . 1 1 38 38 ALA N N 15 123.735 0.300 . . . . . A 38 ALA N . 19880 1 384 . 1 1 39 39 GLN H H 1 8.746 0.020 . . . . . A 39 GLN H . 19880 1 385 . 1 1 39 39 GLN HA H 1 4.313 0.020 . . . . . A 39 GLN HA . 19880 1 386 . 1 1 39 39 GLN HB2 H 1 2.217 0.020 . . . . . A 39 GLN HB2 . 19880 1 387 . 1 1 39 39 GLN HB3 H 1 2.111 0.020 . . . . . A 39 GLN HB3 . 19880 1 388 . 1 1 39 39 GLN HG2 H 1 1.804 0.020 . . . . . A 39 GLN HG2 . 19880 1 389 . 1 1 39 39 GLN HG3 H 1 1.584 0.020 . . . . . A 39 GLN HG3 . 19880 1 390 . 1 1 39 39 GLN HE21 H 1 7.272 0.020 . . . . . A 39 GLN HE21 . 19880 1 391 . 1 1 39 39 GLN HE22 H 1 6.713 0.020 . . . . . A 39 GLN HE22 . 19880 1 392 . 1 1 39 39 GLN CA C 13 54.749 0.300 . . . . . A 39 GLN CA . 19880 1 393 . 1 1 39 39 GLN CB C 13 33.817 0.300 . . . . . A 39 GLN CB . 19880 1 394 . 1 1 39 39 GLN CG C 13 33.684 0.300 . . . . . A 39 GLN CG . 19880 1 395 . 1 1 39 39 GLN N N 15 116.531 0.300 . . . . . A 39 GLN N . 19880 1 396 . 1 1 39 39 GLN NE2 N 15 110.797 0.300 . . . . . A 39 GLN NE2 . 19880 1 397 . 1 1 40 40 CYS H H 1 8.536 0.020 . . . . . A 40 CYS H . 19880 1 398 . 1 1 40 40 CYS HA H 1 5.549 0.020 . . . . . A 40 CYS HA . 19880 1 399 . 1 1 40 40 CYS HB2 H 1 3.271 0.020 . . . . . A 40 CYS HB2 . 19880 1 400 . 1 1 40 40 CYS HB3 H 1 2.691 0.020 . . . . . A 40 CYS HB3 . 19880 1 401 . 1 1 40 40 CYS CA C 13 54.413 0.300 . . . . . A 40 CYS CA . 19880 1 402 . 1 1 40 40 CYS CB C 13 40.902 0.300 . . . . . A 40 CYS CB . 19880 1 403 . 1 1 40 40 CYS N N 15 122.074 0.300 . . . . . A 40 CYS N . 19880 1 404 . 1 1 41 41 THR H H 1 9.779 0.020 . . . . . A 41 THR H . 19880 1 405 . 1 1 41 41 THR HA H 1 4.641 0.020 . . . . . A 41 THR HA . 19880 1 406 . 1 1 41 41 THR HB H 1 4.254 0.020 . . . . . A 41 THR HB . 19880 1 407 . 1 1 41 41 THR HG21 H 1 1.016 0.020 . . . . . A 41 THR HG21 . 19880 1 408 . 1 1 41 41 THR HG22 H 1 1.016 0.020 . . . . . A 41 THR HG22 . 19880 1 409 . 1 1 41 41 THR HG23 H 1 1.016 0.020 . . . . . A 41 THR HG23 . 19880 1 410 . 1 1 41 41 THR CA C 13 60.550 0.300 . . . . . A 41 THR CA . 19880 1 411 . 1 1 41 41 THR CB C 13 71.033 0.300 . . . . . A 41 THR CB . 19880 1 412 . 1 1 41 41 THR CG2 C 13 21.495 0.300 . . . . . A 41 THR CG2 . 19880 1 413 . 1 1 41 41 THR N N 15 117.753 0.300 . . . . . A 41 THR N . 19880 1 414 . 1 1 42 42 GLY H H 1 8.247 0.020 . . . . . A 42 GLY H . 19880 1 415 . 1 1 42 42 GLY HA2 H 1 4.401 0.020 . . . . . A 42 GLY HA2 . 19880 1 416 . 1 1 42 42 GLY HA3 H 1 3.715 0.020 . . . . . A 42 GLY HA3 . 19880 1 417 . 1 1 42 42 GLY CA C 13 44.015 0.300 . . . . . A 42 GLY CA . 19880 1 418 . 1 1 42 42 GLY N N 15 105.809 0.300 . . . . . A 42 GLY N . 19880 1 419 . 1 1 43 43 PHE H H 1 8.707 0.020 . . . . . A 43 PHE H . 19880 1 420 . 1 1 43 43 PHE HA H 1 4.298 0.020 . . . . . A 43 PHE HA . 19880 1 421 . 1 1 43 43 PHE HB2 H 1 3.090 0.020 . . . . . A 43 PHE HB2 . 19880 1 422 . 1 1 43 43 PHE HB3 H 1 2.837 0.020 . . . . . A 43 PHE HB3 . 19880 1 423 . 1 1 43 43 PHE HD1 H 1 7.176 0.020 . . . . . A 43 PHE HD1 . 19880 1 424 . 1 1 43 43 PHE HD2 H 1 7.176 0.020 . . . . . A 43 PHE HD2 . 19880 1 425 . 1 1 43 43 PHE HE1 H 1 7.276 0.020 . . . . . A 43 PHE HE1 . 19880 1 426 . 1 1 43 43 PHE HE2 H 1 7.276 0.020 . . . . . A 43 PHE HE2 . 19880 1 427 . 1 1 43 43 PHE HZ H 1 7.221 0.020 . . . . . A 43 PHE HZ . 19880 1 428 . 1 1 43 43 PHE CA C 13 60.196 0.300 . . . . . A 43 PHE CA . 19880 1 429 . 1 1 43 43 PHE CB C 13 38.650 0.300 . . . . . A 43 PHE CB . 19880 1 430 . 1 1 43 43 PHE CD1 C 13 131.577 0.300 . . . . . A 43 PHE CD1 . 19880 1 431 . 1 1 43 43 PHE CE1 C 13 131.537 0.300 . . . . . A 43 PHE CE1 . 19880 1 432 . 1 1 43 43 PHE CZ C 13 129.967 0.300 . . . . . A 43 PHE CZ . 19880 1 433 . 1 1 43 43 PHE N N 15 123.293 0.300 . . . . . A 43 PHE N . 19880 1 434 . 1 1 44 44 LEU H H 1 8.645 0.020 . . . . . A 44 LEU H . 19880 1 435 . 1 1 44 44 LEU HA H 1 3.848 0.020 . . . . . A 44 LEU HA . 19880 1 436 . 1 1 44 44 LEU HB2 H 1 1.518 0.020 . . . . . A 44 LEU HB2 . 19880 1 437 . 1 1 44 44 LEU HB3 H 1 1.387 0.020 . . . . . A 44 LEU HB3 . 19880 1 438 . 1 1 44 44 LEU HG H 1 1.245 0.020 . . . . . A 44 LEU HG . 19880 1 439 . 1 1 44 44 LEU HD11 H 1 0.619 0.020 . . . . . A 44 LEU HD11 . 19880 1 440 . 1 1 44 44 LEU HD12 H 1 0.619 0.020 . . . . . A 44 LEU HD12 . 19880 1 441 . 1 1 44 44 LEU HD13 H 1 0.619 0.020 . . . . . A 44 LEU HD13 . 19880 1 442 . 1 1 44 44 LEU HD21 H 1 0.508 0.020 . . . . . A 44 LEU HD21 . 19880 1 443 . 1 1 44 44 LEU HD22 H 1 0.508 0.020 . . . . . A 44 LEU HD22 . 19880 1 444 . 1 1 44 44 LEU HD23 H 1 0.508 0.020 . . . . . A 44 LEU HD23 . 19880 1 445 . 1 1 44 44 LEU CB C 13 40.386 0.300 . . . . . A 44 LEU CB . 19880 1 446 . 1 1 44 44 LEU CG C 13 27.472 0.300 . . . . . A 44 LEU CG . 19880 1 447 . 1 1 44 44 LEU CD1 C 13 25.609 0.300 . . . . . A 44 LEU CD1 . 19880 1 448 . 1 1 44 44 LEU CD2 C 13 22.119 0.300 . . . . . A 44 LEU CD2 . 19880 1 449 . 1 1 44 44 LEU N N 15 120.771 0.300 . . . . . A 44 LEU N . 19880 1 450 . 1 1 45 45 GLY H H 1 7.831 0.020 . . . . . A 45 GLY H . 19880 1 451 . 1 1 45 45 GLY HA2 H 1 3.563 0.020 . . . . . A 45 GLY HA2 . 19880 1 452 . 1 1 45 45 GLY HA3 H 1 3.162 0.020 . . . . . A 45 GLY HA3 . 19880 1 453 . 1 1 45 45 GLY CA C 13 47.311 0.300 . . . . . A 45 GLY CA . 19880 1 454 . 1 1 45 45 GLY N N 15 107.545 0.300 . . . . . A 45 GLY N . 19880 1 455 . 1 1 46 46 THR H H 1 6.823 0.020 . . . . . A 46 THR H . 19880 1 456 . 1 1 46 46 THR HA H 1 3.901 0.020 . . . . . A 46 THR HA . 19880 1 457 . 1 1 46 46 THR HB H 1 4.269 0.020 . . . . . A 46 THR HB . 19880 1 458 . 1 1 46 46 THR HG21 H 1 1.011 0.020 . . . . . A 46 THR HG21 . 19880 1 459 . 1 1 46 46 THR HG22 H 1 1.011 0.020 . . . . . A 46 THR HG22 . 19880 1 460 . 1 1 46 46 THR HG23 H 1 1.011 0.020 . . . . . A 46 THR HG23 . 19880 1 461 . 1 1 46 46 THR CA C 13 62.180 0.300 . . . . . A 46 THR CA . 19880 1 462 . 1 1 46 46 THR CB C 13 70.021 0.300 . . . . . A 46 THR CB . 19880 1 463 . 1 1 46 46 THR CG2 C 13 21.959 0.300 . . . . . A 46 THR CG2 . 19880 1 464 . 1 1 46 46 THR N N 15 104.485 0.300 . . . . . A 46 THR N . 19880 1 465 . 1 1 47 47 THR H H 1 8.763 0.020 . . . . . A 47 THR H . 19880 1 466 . 1 1 47 47 THR HA H 1 4.371 0.020 . . . . . A 47 THR HA . 19880 1 467 . 1 1 47 47 THR HB H 1 3.771 0.020 . . . . . A 47 THR HB . 19880 1 468 . 1 1 47 47 THR HG21 H 1 0.983 0.020 . . . . . A 47 THR HG21 . 19880 1 469 . 1 1 47 47 THR HG22 H 1 0.983 0.020 . . . . . A 47 THR HG22 . 19880 1 470 . 1 1 47 47 THR HG23 H 1 0.983 0.020 . . . . . A 47 THR HG23 . 19880 1 471 . 1 1 47 47 THR CA C 13 62.843 0.300 . . . . . A 47 THR CA . 19880 1 472 . 1 1 47 47 THR CB C 13 70.176 0.300 . . . . . A 47 THR CB . 19880 1 473 . 1 1 47 47 THR CG2 C 13 21.391 0.300 . . . . . A 47 THR CG2 . 19880 1 474 . 1 1 47 47 THR N N 15 123.300 0.300 . . . . . A 47 THR N . 19880 1 475 . 1 1 48 48 CYS H H 1 9.276 0.020 . . . . . A 48 CYS H . 19880 1 476 . 1 1 48 48 CYS HA H 1 4.973 0.020 . . . . . A 48 CYS HA . 19880 1 477 . 1 1 48 48 CYS HB2 H 1 2.998 0.020 . . . . . A 48 CYS HB2 . 19880 1 478 . 1 1 48 48 CYS HB3 H 1 2.921 0.020 . . . . . A 48 CYS HB3 . 19880 1 479 . 1 1 48 48 CYS CA C 13 55.984 0.300 . . . . . A 48 CYS CA . 19880 1 480 . 1 1 48 48 CYS CB C 13 36.282 0.300 . . . . . A 48 CYS CB . 19880 1 481 . 1 1 48 48 CYS N N 15 128.024 0.300 . . . . . A 48 CYS N . 19880 1 482 . 1 1 49 49 THR H H 1 9.194 0.020 . . . . . A 49 THR H . 19880 1 483 . 1 1 49 49 THR HA H 1 4.364 0.020 . . . . . A 49 THR HA . 19880 1 484 . 1 1 49 49 THR HB H 1 3.878 0.020 . . . . . A 49 THR HB . 19880 1 485 . 1 1 49 49 THR HG21 H 1 1.061 0.020 . . . . . A 49 THR HG21 . 19880 1 486 . 1 1 49 49 THR HG22 H 1 1.061 0.020 . . . . . A 49 THR HG22 . 19880 1 487 . 1 1 49 49 THR HG23 H 1 1.061 0.020 . . . . . A 49 THR HG23 . 19880 1 488 . 1 1 49 49 THR CA C 13 61.871 0.300 . . . . . A 49 THR CA . 19880 1 489 . 1 1 49 49 THR CB C 13 69.789 0.300 . . . . . A 49 THR CB . 19880 1 490 . 1 1 49 49 THR CG2 C 13 21.671 0.300 . . . . . A 49 THR CG2 . 19880 1 491 . 1 1 49 49 THR N N 15 131.810 0.300 . . . . . A 49 THR N . 19880 1 492 . 1 1 50 50 CYS H H 1 8.879 0.020 . . . . . A 50 CYS H . 19880 1 493 . 1 1 50 50 CYS HA H 1 5.035 0.020 . . . . . A 50 CYS HA . 19880 1 494 . 1 1 50 50 CYS HB2 H 1 2.884 0.020 . . . . . A 50 CYS HB2 . 19880 1 495 . 1 1 50 50 CYS HB3 H 1 3.157 0.020 . . . . . A 50 CYS HB3 . 19880 1 496 . 1 1 50 50 CYS CA C 13 51.880 0.300 . . . . . A 50 CYS CA . 19880 1 497 . 1 1 50 50 CYS CB C 13 34.934 0.300 . . . . . A 50 CYS CB . 19880 1 498 . 1 1 50 50 CYS N N 15 123.835 0.300 . . . . . A 50 CYS N . 19880 1 499 . 1 1 51 51 ILE H H 1 8.098 0.020 . . . . . A 51 ILE H . 19880 1 500 . 1 1 51 51 ILE HA H 1 4.143 0.020 . . . . . A 51 ILE HA . 19880 1 501 . 1 1 51 51 ILE HB H 1 1.066 0.020 . . . . . A 51 ILE HB . 19880 1 502 . 1 1 51 51 ILE HG12 H 1 1.220 0.020 . . . . . A 51 ILE HG12 . 19880 1 503 . 1 1 51 51 ILE HG13 H 1 1.015 0.020 . . . . . A 51 ILE HG13 . 19880 1 504 . 1 1 51 51 ILE HG21 H 1 1.011 0.020 . . . . . A 51 ILE HG21 . 19880 1 505 . 1 1 51 51 ILE HG22 H 1 1.011 0.020 . . . . . A 51 ILE HG22 . 19880 1 506 . 1 1 51 51 ILE HG23 H 1 1.011 0.020 . . . . . A 51 ILE HG23 . 19880 1 507 . 1 1 51 51 ILE HD11 H 1 0.531 0.020 . . . . . A 51 ILE HD11 . 19880 1 508 . 1 1 51 51 ILE HD12 H 1 0.531 0.020 . . . . . A 51 ILE HD12 . 19880 1 509 . 1 1 51 51 ILE HD13 H 1 0.531 0.020 . . . . . A 51 ILE HD13 . 19880 1 510 . 1 1 51 51 ILE CA C 13 59.619 0.300 . . . . . A 51 ILE CA . 19880 1 511 . 1 1 51 51 ILE CB C 13 39.380 0.300 . . . . . A 51 ILE CB . 19880 1 512 . 1 1 51 51 ILE CG1 C 13 26.813 0.300 . . . . . A 51 ILE CG1 . 19880 1 513 . 1 1 51 51 ILE CG2 C 13 16.136 0.300 . . . . . A 51 ILE CG2 . 19880 1 514 . 1 1 51 51 ILE CD1 C 13 11.167 0.300 . . . . . A 51 ILE CD1 . 19880 1 515 . 1 1 51 51 ILE N N 15 123.986 0.300 . . . . . A 51 ILE N . 19880 1 516 . 1 1 52 52 ASN H H 1 8.323 0.020 . . . . . A 52 ASN H . 19880 1 517 . 1 1 52 52 ASN HA H 1 4.716 0.020 . . . . . A 52 ASN HA . 19880 1 518 . 1 1 52 52 ASN HB2 H 1 2.668 0.020 . . . . . A 52 ASN HB2 . 19880 1 519 . 1 1 52 52 ASN HB3 H 1 2.525 0.020 . . . . . A 52 ASN HB3 . 19880 1 520 . 1 1 52 52 ASN HD21 H 1 7.435 0.020 . . . . . A 52 ASN HD21 . 19880 1 521 . 1 1 52 52 ASN HD22 H 1 6.760 0.020 . . . . . A 52 ASN HD22 . 19880 1 522 . 1 1 52 52 ASN CA C 13 52.891 0.300 . . . . . A 52 ASN CA . 19880 1 523 . 1 1 52 52 ASN CB C 13 37.913 0.300 . . . . . A 52 ASN CB . 19880 1 524 . 1 1 52 52 ASN N N 15 126.122 0.300 . . . . . A 52 ASN N . 19880 1 525 . 1 1 52 52 ASN ND2 N 15 111.646 0.300 . . . . . A 52 ASN ND2 . 19880 1 526 . 1 1 53 53 PRO HA H 1 4.307 0.020 . . . . . A 53 PRO HA . 19880 1 527 . 1 1 53 53 PRO HB2 H 1 2.396 0.020 . . . . . A 53 PRO HB2 . 19880 1 528 . 1 1 53 53 PRO HB3 H 1 1.983 0.020 . . . . . A 53 PRO HB3 . 19880 1 529 . 1 1 53 53 PRO HG2 H 1 1.915 0.020 . . . . . A 53 PRO HG2 . 19880 1 530 . 1 1 53 53 PRO HG3 H 1 1.792 0.020 . . . . . A 53 PRO HG3 . 19880 1 531 . 1 1 53 53 PRO HD2 H 1 3.578 0.020 . . . . . A 53 PRO HD2 . 19880 1 532 . 1 1 53 53 PRO HD3 H 1 3.503 0.020 . . . . . A 53 PRO HD3 . 19880 1 533 . 1 1 53 53 PRO CA C 13 63.033 0.300 . . . . . A 53 PRO CA . 19880 1 534 . 1 1 53 53 PRO CB C 13 35.860 0.300 . . . . . A 53 PRO CB . 19880 1 535 . 1 1 53 53 PRO CG C 13 25.454 0.300 . . . . . A 53 PRO CG . 19880 1 536 . 1 1 53 53 PRO CD C 13 51.623 0.300 . . . . . A 53 PRO CD . 19880 1 537 . 1 1 54 54 CYS H H 1 8.865 0.020 . . . . . A 54 CYS H . 19880 1 538 . 1 1 54 54 CYS HA H 1 5.736 0.020 . . . . . A 54 CYS HA . 19880 1 539 . 1 1 54 54 CYS HB2 H 1 3.068 0.020 . . . . . A 54 CYS HB2 . 19880 1 540 . 1 1 54 54 CYS HB3 H 1 2.617 0.020 . . . . . A 54 CYS HB3 . 19880 1 541 . 1 1 54 54 CYS CA C 13 54.150 0.300 . . . . . A 54 CYS CA . 19880 1 542 . 1 1 54 54 CYS CB C 13 46.154 0.300 . . . . . A 54 CYS CB . 19880 1 543 . 1 1 54 54 CYS N N 15 123.090 0.300 . . . . . A 54 CYS N . 19880 1 544 . 1 1 55 55 PRO HA H 1 4.286 0.020 . . . . . A 55 PRO HA . 19880 1 545 . 1 1 55 55 PRO HB2 H 1 2.151 0.020 . . . . . A 55 PRO HB2 . 19880 1 546 . 1 1 55 55 PRO HB3 H 1 1.879 0.020 . . . . . A 55 PRO HB3 . 19880 1 547 . 1 1 55 55 PRO HG2 H 1 1.875 0.020 . . . . . A 55 PRO HG2 . 19880 1 548 . 1 1 55 55 PRO HG3 H 1 1.772 0.020 . . . . . A 55 PRO HG3 . 19880 1 549 . 1 1 55 55 PRO HD2 H 1 4.219 0.020 . . . . . A 55 PRO HD2 . 19880 1 550 . 1 1 55 55 PRO HD3 H 1 3.014 0.020 . . . . . A 55 PRO HD3 . 19880 1 551 . 1 1 55 55 PRO CA C 13 62.258 0.300 . . . . . A 55 PRO CA . 19880 1 552 . 1 1 55 55 PRO CB C 13 32.450 0.300 . . . . . A 55 PRO CB . 19880 1 553 . 1 1 55 55 PRO CG C 13 27.369 0.300 . . . . . A 55 PRO CG . 19880 1 554 . 1 1 55 55 PRO CD C 13 50.457 0.300 . . . . . A 55 PRO CD . 19880 1 555 . 1 1 56 56 ARG H H 1 7.902 0.020 . . . . . A 56 ARG H . 19880 1 556 . 1 1 56 56 ARG HA H 1 4.485 0.020 . . . . . A 56 ARG HA . 19880 1 557 . 1 1 56 56 ARG HB2 H 1 1.801 0.020 . . . . . A 56 ARG HB2 . 19880 1 558 . 1 1 56 56 ARG HB3 H 1 1.662 0.020 . . . . . A 56 ARG HB3 . 19880 1 559 . 1 1 56 56 ARG HG2 H 1 1.680 0.020 . . . . . A 56 ARG HG2 . 19880 1 560 . 1 1 56 56 ARG HG3 H 1 1.566 0.020 . . . . . A 56 ARG HG3 . 19880 1 561 . 1 1 56 56 ARG HD2 H 1 3.105 0.020 . . . . . A 56 ARG HD2 . 19880 1 562 . 1 1 56 56 ARG HD3 H 1 3.105 0.020 . . . . . A 56 ARG HD3 . 19880 1 563 . 1 1 56 56 ARG HE H 1 7.149 0.020 . . . . . A 56 ARG HE . 19880 1 564 . 1 1 56 56 ARG CA C 13 56.121 0.300 . . . . . A 56 ARG CA . 19880 1 565 . 1 1 56 56 ARG CB C 13 30.539 0.300 . . . . . A 56 ARG CB . 19880 1 566 . 1 1 56 56 ARG CG C 13 27.355 0.300 . . . . . A 56 ARG CG . 19880 1 567 . 1 1 56 56 ARG CD C 13 42.891 0.300 . . . . . A 56 ARG CD . 19880 1 568 . 1 1 56 56 ARG N N 15 117.289 0.300 . . . . . A 56 ARG N . 19880 1 569 . 1 1 56 56 ARG NE N 15 84.459 0.300 . . . . . A 56 ARG NE . 19880 1 570 . 1 1 57 57 CYS H H 1 7.780 0.020 . . . . . A 57 CYS H . 19880 1 571 . 1 1 57 57 CYS HA H 1 4.397 0.020 . . . . . A 57 CYS HA . 19880 1 572 . 1 1 57 57 CYS HB2 H 1 3.051 0.020 . . . . . A 57 CYS HB2 . 19880 1 573 . 1 1 57 57 CYS HB3 H 1 3.156 0.020 . . . . . A 57 CYS HB3 . 19880 1 574 . 1 1 57 57 CYS CA C 13 56.590 0.300 . . . . . A 57 CYS CA . 19880 1 575 . 1 1 57 57 CYS CB C 13 47.191 0.300 . . . . . A 57 CYS CB . 19880 1 576 . 1 1 57 57 CYS N N 15 124.031 0.300 . . . . . A 57 CYS N . 19880 1 stop_ save_ save_15N _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 15N _Assigned_chem_shift_list.Entry_ID 19880 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19880 2 3 '2D 1H-1H TOCSY' . . . 19880 2 4 '2D DQF-COSY' . . . 19880 2 5 '2D 1H-1H NOESY' . . . 19880 2 6 '3D 1H-15N TOCSY' . . . 19880 2 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 PCA CA C 13 59.693 0.300 . . . . . A 1 PCA CA . 19880 2 2 . 1 1 1 1 PCA CB C 13 28.065 0.300 . . . . . A 1 PCA CB . 19880 2 3 . 1 1 1 1 PCA CG C 13 32.002 0.300 . . . . . A 1 PCA CG . 19880 2 4 . 1 1 1 1 PCA H H 1 7.887 0.020 . . . . . A 1 PCA H . 19880 2 5 . 1 1 1 1 PCA HA H 1 4.282 0.020 . . . . . A 1 PCA HA . 19880 2 6 . 1 1 1 1 PCA HB2 H 1 1.997 0.020 . . . . . A 1 PCA HB2 . 19880 2 7 . 1 1 1 1 PCA HB3 H 1 2.471 0.020 . . . . . A 1 PCA HB3 . 19880 2 8 . 1 1 1 1 PCA N N 15 125.290 0.300 . . . . . A 1 PCA N . 19880 2 9 . 1 1 1 1 PCA HG2 H 1 2.320 0.020 . . . . . A 1 PCA QG . 19880 2 10 . 1 1 1 1 PCA HG3 H 1 2.320 0.020 . . . . . A 1 PCA QG . 19880 2 11 . 1 1 2 2 ASN H H 1 8.648 0.020 . . . . . A 2 ASN H . 19880 2 12 . 1 1 2 2 ASN HA H 1 4.732 0.020 . . . . . A 2 ASN HA . 19880 2 13 . 1 1 2 2 ASN HB2 H 1 2.776 0.020 . . . . . A 2 ASN HB2 . 19880 2 14 . 1 1 2 2 ASN HB3 H 1 2.623 0.020 . . . . . A 2 ASN HB3 . 19880 2 15 . 1 1 2 2 ASN HD21 H 1 7.552 0.020 . . . . . A 2 ASN HD21 . 19880 2 16 . 1 1 2 2 ASN HD22 H 1 6.870 0.020 . . . . . A 2 ASN HD22 . 19880 2 17 . 1 1 2 2 ASN CA C 13 52.630 0.300 . . . . . A 2 ASN CA . 19880 2 18 . 1 1 2 2 ASN CB C 13 38.266 0.300 . . . . . A 2 ASN CB . 19880 2 19 . 1 1 2 2 ASN N N 15 120.329 0.300 . . . . . A 2 ASN N . 19880 2 20 . 1 1 2 2 ASN ND2 N 15 112.943 0.300 . . . . . A 2 ASN ND2 . 19880 2 21 . 1 1 3 3 CYS H H 1 7.950 0.020 . . . . . A 3 CYS H . 19880 2 22 . 1 1 3 3 CYS HA H 1 4.820 0.020 . . . . . A 3 CYS HA . 19880 2 23 . 1 1 3 3 CYS HB2 H 1 3.004 0.020 . . . . . A 3 CYS HB2 . 19880 2 24 . 1 1 3 3 CYS HB3 H 1 3.048 0.020 . . . . . A 3 CYS HB3 . 19880 2 25 . 1 1 3 3 CYS CA C 13 52.700 0.300 . . . . . A 3 CYS CA . 19880 2 26 . 1 1 3 3 CYS CB C 13 46.651 0.300 . . . . . A 3 CYS CB . 19880 2 27 . 1 1 3 3 CYS N N 15 117.506 0.300 . . . . . A 3 CYS N . 19880 2 28 . 1 1 4 4 PRO HA H 1 4.505 0.020 . . . . . A 4 PRO HA . 19880 2 29 . 1 1 4 4 PRO HB2 H 1 2.258 0.020 . . . . . A 4 PRO HB2 . 19880 2 30 . 1 1 4 4 PRO HB3 H 1 1.733 0.020 . . . . . A 4 PRO HB3 . 19880 2 31 . 1 1 4 4 PRO HG2 H 1 2.099 0.020 . . . . . A 4 PRO HG2 . 19880 2 32 . 1 1 4 4 PRO HG3 H 1 2.031 0.020 . . . . . A 4 PRO HG3 . 19880 2 33 . 1 1 4 4 PRO HD2 H 1 3.992 0.020 . . . . . A 4 PRO HD2 . 19880 2 34 . 1 1 4 4 PRO HD3 H 1 3.605 0.020 . . . . . A 4 PRO HD3 . 19880 2 35 . 1 1 4 4 PRO CA C 13 63.730 0.300 . . . . . A 4 PRO CA . 19880 2 36 . 1 1 4 4 PRO CB C 13 33.299 0.300 . . . . . A 4 PRO CB . 19880 2 37 . 1 1 4 4 PRO CG C 13 27.361 0.300 . . . . . A 4 PRO CG . 19880 2 38 . 1 1 4 4 PRO CD C 13 51.069 0.300 . . . . . A 4 PRO CD . 19880 2 39 . 1 1 5 5 THR H H 1 8.532 0.020 . . . . . A 5 THR H . 19880 2 40 . 1 1 5 5 THR HA H 1 4.814 0.020 . . . . . A 5 THR HA . 19880 2 41 . 1 1 5 5 THR HB H 1 3.909 0.020 . . . . . A 5 THR HB . 19880 2 42 . 1 1 5 5 THR HG21 H 1 1.099 0.020 . . . . . A 5 THR HG21 . 19880 2 43 . 1 1 5 5 THR HG22 H 1 1.099 0.020 . . . . . A 5 THR HG22 . 19880 2 44 . 1 1 5 5 THR HG23 H 1 1.099 0.020 . . . . . A 5 THR HG23 . 19880 2 45 . 1 1 5 5 THR CA C 13 61.618 0.300 . . . . . A 5 THR CA . 19880 2 46 . 1 1 5 5 THR CB C 13 70.257 0.300 . . . . . A 5 THR CB . 19880 2 47 . 1 1 5 5 THR CG2 C 13 21.027 0.300 . . . . . A 5 THR CG2 . 19880 2 48 . 1 1 5 5 THR N N 15 118.203 0.300 . . . . . A 5 THR N . 19880 2 49 . 1 1 6 6 ARG H H 1 7.662 0.020 . . . . . A 6 ARG H . 19880 2 50 . 1 1 6 6 ARG HA H 1 4.528 0.020 . . . . . A 6 ARG HA . 19880 2 51 . 1 1 6 6 ARG HB2 H 1 1.113 0.020 . . . . . A 6 ARG HB2 . 19880 2 52 . 1 1 6 6 ARG HB3 H 1 0.434 0.020 . . . . . A 6 ARG HB3 . 19880 2 53 . 1 1 6 6 ARG HG2 H 1 1.358 0.020 . . . . . A 6 ARG HG2 . 19880 2 54 . 1 1 6 6 ARG HG3 H 1 1.255 0.020 . . . . . A 6 ARG HG3 . 19880 2 55 . 1 1 6 6 ARG HD2 H 1 3.086 0.020 . . . . . A 6 ARG HD2 . 19880 2 56 . 1 1 6 6 ARG HD3 H 1 3.036 0.020 . . . . . A 6 ARG HD3 . 19880 2 57 . 1 1 6 6 ARG HE H 1 7.281 0.020 . . . . . A 6 ARG HE . 19880 2 58 . 1 1 6 6 ARG CA C 13 54.931 0.300 . . . . . A 6 ARG CA . 19880 2 59 . 1 1 6 6 ARG CB C 13 32.752 0.300 . . . . . A 6 ARG CB . 19880 2 60 . 1 1 6 6 ARG CG C 13 28.575 0.300 . . . . . A 6 ARG CG . 19880 2 61 . 1 1 6 6 ARG CD C 13 43.309 0.300 . . . . . A 6 ARG CD . 19880 2 62 . 1 1 6 6 ARG N N 15 123.146 0.300 . . . . . A 6 ARG N . 19880 2 63 . 1 1 6 6 ARG NE N 15 85.585 0.300 . . . . . A 6 ARG NE . 19880 2 64 . 1 1 7 7 ARG H H 1 8.452 0.020 . . . . . A 7 ARG H . 19880 2 65 . 1 1 7 7 ARG HA H 1 4.666 0.020 . . . . . A 7 ARG HA . 19880 2 66 . 1 1 7 7 ARG HB2 H 1 1.760 0.020 . . . . . A 7 ARG HB2 . 19880 2 67 . 1 1 7 7 ARG HB3 H 1 1.574 0.020 . . . . . A 7 ARG HB3 . 19880 2 68 . 1 1 7 7 ARG HG2 H 1 1.487 0.020 . . . . . A 7 ARG HG2 . 19880 2 69 . 1 1 7 7 ARG HG3 H 1 1.405 0.020 . . . . . A 7 ARG HG3 . 19880 2 70 . 1 1 7 7 ARG HD2 H 1 3.103 0.020 . . . . . A 7 ARG HD2 . 19880 2 71 . 1 1 7 7 ARG HD3 H 1 3.065 0.020 . . . . . A 7 ARG HD3 . 19880 2 72 . 1 1 7 7 ARG HE H 1 7.707 0.020 . . . . . A 7 ARG HE . 19880 2 73 . 1 1 7 7 ARG CA C 13 54.415 0.300 . . . . . A 7 ARG CA . 19880 2 74 . 1 1 7 7 ARG CB C 13 32.673 0.300 . . . . . A 7 ARG CB . 19880 2 75 . 1 1 7 7 ARG CG C 13 26.698 0.300 . . . . . A 7 ARG CG . 19880 2 76 . 1 1 7 7 ARG CD C 13 42.612 0.300 . . . . . A 7 ARG CD . 19880 2 77 . 1 1 7 7 ARG N N 15 121.477 0.300 . . . . . A 7 ARG N . 19880 2 78 . 1 1 7 7 ARG NE N 15 84.680 0.300 . . . . . A 7 ARG NE . 19880 2 79 . 1 1 8 8 GLY H H 1 9.382 0.020 . . . . . A 8 GLY H . 19880 2 80 . 1 1 8 8 GLY HA3 H 1 3.935 0.020 . . . . . A 8 GLY HA3 . 19880 2 81 . 1 1 8 8 GLY CA C 13 46.653 0.300 . . . . . A 8 GLY CA . 19880 2 82 . 1 1 8 8 GLY N N 15 110.945 0.300 . . . . . A 8 GLY N . 19880 2 83 . 1 1 9 9 LEU H H 1 8.216 0.020 . . . . . A 9 LEU H . 19880 2 84 . 1 1 9 9 LEU HA H 1 3.890 0.020 . . . . . A 9 LEU HA . 19880 2 85 . 1 1 9 9 LEU HB2 H 1 1.546 0.020 . . . . . A 9 LEU HB2 . 19880 2 86 . 1 1 9 9 LEU HB3 H 1 0.959 0.020 . . . . . A 9 LEU HB3 . 19880 2 87 . 1 1 9 9 LEU HG H 1 1.117 0.020 . . . . . A 9 LEU HG . 19880 2 88 . 1 1 9 9 LEU HD11 H 1 0.529 0.020 . . . . . A 9 LEU HD11 . 19880 2 89 . 1 1 9 9 LEU HD12 H 1 0.529 0.020 . . . . . A 9 LEU HD12 . 19880 2 90 . 1 1 9 9 LEU HD13 H 1 0.529 0.020 . . . . . A 9 LEU HD13 . 19880 2 91 . 1 1 9 9 LEU HD21 H 1 0.444 0.020 . . . . . A 9 LEU HD21 . 19880 2 92 . 1 1 9 9 LEU HD22 H 1 0.444 0.020 . . . . . A 9 LEU HD22 . 19880 2 93 . 1 1 9 9 LEU HD23 H 1 0.444 0.020 . . . . . A 9 LEU HD23 . 19880 2 94 . 1 1 9 9 LEU CA C 13 57.754 0.300 . . . . . A 9 LEU CA . 19880 2 95 . 1 1 9 9 LEU CB C 13 42.770 0.300 . . . . . A 9 LEU CB . 19880 2 96 . 1 1 9 9 LEU CG C 13 26.773 0.300 . . . . . A 9 LEU CG . 19880 2 97 . 1 1 9 9 LEU CD1 C 13 22.657 0.300 . . . . . A 9 LEU CD1 . 19880 2 98 . 1 1 9 9 LEU CD2 C 13 27.242 0.300 . . . . . A 9 LEU CD2 . 19880 2 99 . 1 1 9 9 LEU N N 15 119.167 0.300 . . . . . A 9 LEU N . 19880 2 100 . 1 1 10 10 CYS H H 1 9.282 0.020 . . . . . A 10 CYS H . 19880 2 101 . 1 1 10 10 CYS HA H 1 3.890 0.020 . . . . . A 10 CYS HA . 19880 2 102 . 1 1 10 10 CYS HB2 H 1 3.179 0.020 . . . . . A 10 CYS HB2 . 19880 2 103 . 1 1 10 10 CYS HB3 H 1 2.795 0.020 . . . . . A 10 CYS HB3 . 19880 2 104 . 1 1 10 10 CYS CA C 13 61.378 0.300 . . . . . A 10 CYS CA . 19880 2 105 . 1 1 10 10 CYS CB C 13 42.589 0.300 . . . . . A 10 CYS CB . 19880 2 106 . 1 1 10 10 CYS N N 15 115.050 0.300 . . . . . A 10 CYS N . 19880 2 107 . 1 1 11 11 VAL H H 1 7.311 0.020 . . . . . A 11 VAL H . 19880 2 108 . 1 1 11 11 VAL HA H 1 3.771 0.020 . . . . . A 11 VAL HA . 19880 2 109 . 1 1 11 11 VAL HB H 1 2.092 0.020 . . . . . A 11 VAL HB . 19880 2 110 . 1 1 11 11 VAL HG11 H 1 0.827 0.020 . . . . . A 11 VAL HG11 . 19880 2 111 . 1 1 11 11 VAL HG12 H 1 0.827 0.020 . . . . . A 11 VAL HG12 . 19880 2 112 . 1 1 11 11 VAL HG13 H 1 0.827 0.020 . . . . . A 11 VAL HG13 . 19880 2 113 . 1 1 11 11 VAL HG21 H 1 0.912 0.020 . . . . . A 11 VAL HG21 . 19880 2 114 . 1 1 11 11 VAL HG22 H 1 0.912 0.020 . . . . . A 11 VAL HG22 . 19880 2 115 . 1 1 11 11 VAL HG23 H 1 0.912 0.020 . . . . . A 11 VAL HG23 . 19880 2 116 . 1 1 11 11 VAL CA C 13 64.508 0.300 . . . . . A 11 VAL CA . 19880 2 117 . 1 1 11 11 VAL CB C 13 32.598 0.300 . . . . . A 11 VAL CB . 19880 2 118 . 1 1 11 11 VAL CG1 C 13 21.029 0.300 . . . . . A 11 VAL CG1 . 19880 2 119 . 1 1 11 11 VAL CG2 C 13 21.916 0.300 . . . . . A 11 VAL CG2 . 19880 2 120 . 1 1 11 11 VAL N N 15 117.747 0.300 . . . . . A 11 VAL N . 19880 2 121 . 1 1 12 12 THR H H 1 8.199 0.020 . . . . . A 12 THR H . 19880 2 122 . 1 1 12 12 THR HA H 1 4.044 0.020 . . . . . A 12 THR HA . 19880 2 123 . 1 1 12 12 THR HB H 1 4.118 0.020 . . . . . A 12 THR HB . 19880 2 124 . 1 1 12 12 THR HG21 H 1 1.153 0.020 . . . . . A 12 THR HG21 . 19880 2 125 . 1 1 12 12 THR HG22 H 1 1.153 0.020 . . . . . A 12 THR HG22 . 19880 2 126 . 1 1 12 12 THR HG23 H 1 1.153 0.020 . . . . . A 12 THR HG23 . 19880 2 127 . 1 1 12 12 THR CA C 13 63.575 0.300 . . . . . A 12 THR CA . 19880 2 128 . 1 1 12 12 THR CB C 13 69.400 0.300 . . . . . A 12 THR CB . 19880 2 129 . 1 1 12 12 THR CG2 C 13 21.751 0.300 . . . . . A 12 THR CG2 . 19880 2 130 . 1 1 12 12 THR N N 15 109.743 0.300 . . . . . A 12 THR N . 19880 2 131 . 1 1 13 13 SER H H 1 7.512 0.020 . . . . . A 13 SER H . 19880 2 132 . 1 1 13 13 SER HA H 1 4.607 0.020 . . . . . A 13 SER HA . 19880 2 133 . 1 1 13 13 SER HB2 H 1 3.664 0.020 . . . . . A 13 SER HB2 . 19880 2 134 . 1 1 13 13 SER HB3 H 1 3.596 0.020 . . . . . A 13 SER HB3 . 19880 2 135 . 1 1 13 13 SER CA C 13 59.460 0.300 . . . . . A 13 SER CA . 19880 2 136 . 1 1 13 13 SER CB C 13 64.586 0.300 . . . . . A 13 SER CB . 19880 2 137 . 1 1 13 13 SER N N 15 114.383 0.300 . . . . . A 13 SER N . 19880 2 138 . 1 1 14 14 GLY H H 1 8.378 0.020 . . . . . A 14 GLY H . 19880 2 139 . 1 1 14 14 GLY HA2 H 1 4.466 0.020 . . . . . A 14 GLY HA2 . 19880 2 140 . 1 1 14 14 GLY HA3 H 1 3.893 0.020 . . . . . A 14 GLY HA3 . 19880 2 141 . 1 1 14 14 GLY CA C 13 44.324 0.300 . . . . . A 14 GLY CA . 19880 2 142 . 1 1 14 14 GLY N N 15 109.099 0.300 . . . . . A 14 GLY N . 19880 2 143 . 1 1 15 15 LEU H H 1 8.469 0.020 . . . . . A 15 LEU H . 19880 2 144 . 1 1 15 15 LEU HA H 1 3.917 0.020 . . . . . A 15 LEU HA . 19880 2 145 . 1 1 15 15 LEU HB2 H 1 1.693 0.020 . . . . . A 15 LEU HB2 . 19880 2 146 . 1 1 15 15 LEU HB3 H 1 1.438 0.020 . . . . . A 15 LEU HB3 . 19880 2 147 . 1 1 15 15 LEU HG H 1 1.302 0.020 . . . . . A 15 LEU HG . 19880 2 148 . 1 1 15 15 LEU HD11 H 1 0.855 0.020 . . . . . A 15 LEU HD11 . 19880 2 149 . 1 1 15 15 LEU HD12 H 1 0.855 0.020 . . . . . A 15 LEU HD12 . 19880 2 150 . 1 1 15 15 LEU HD13 H 1 0.855 0.020 . . . . . A 15 LEU HD13 . 19880 2 151 . 1 1 15 15 LEU HD21 H 1 0.766 0.020 . . . . . A 15 LEU HD21 . 19880 2 152 . 1 1 15 15 LEU HD22 H 1 0.766 0.020 . . . . . A 15 LEU HD22 . 19880 2 153 . 1 1 15 15 LEU HD23 H 1 0.766 0.020 . . . . . A 15 LEU HD23 . 19880 2 154 . 1 1 15 15 LEU CA C 13 57.986 0.300 . . . . . A 15 LEU CA . 19880 2 155 . 1 1 15 15 LEU CB C 13 41.526 0.300 . . . . . A 15 LEU CB . 19880 2 156 . 1 1 15 15 LEU CG C 13 27.317 0.300 . . . . . A 15 LEU CG . 19880 2 157 . 1 1 15 15 LEU CD1 C 13 25.765 0.300 . . . . . A 15 LEU CD1 . 19880 2 158 . 1 1 15 15 LEU CD2 C 13 22.851 0.300 . . . . . A 15 LEU CD2 . 19880 2 159 . 1 1 15 15 LEU N N 15 120.705 0.300 . . . . . A 15 LEU N . 19880 2 160 . 1 1 16 16 THR H H 1 8.465 0.020 . . . . . A 16 THR H . 19880 2 161 . 1 1 16 16 THR HA H 1 3.602 0.020 . . . . . A 16 THR HA . 19880 2 162 . 1 1 16 16 THR HB H 1 4.013 0.020 . . . . . A 16 THR HB . 19880 2 163 . 1 1 16 16 THR HG21 H 1 1.065 0.020 . . . . . A 16 THR HG21 . 19880 2 164 . 1 1 16 16 THR HG22 H 1 1.065 0.020 . . . . . A 16 THR HG22 . 19880 2 165 . 1 1 16 16 THR HG23 H 1 1.065 0.020 . . . . . A 16 THR HG23 . 19880 2 166 . 1 1 16 16 THR CA C 13 67.196 0.300 . . . . . A 16 THR CA . 19880 2 167 . 1 1 16 16 THR CB C 13 68.003 0.300 . . . . . A 16 THR CB . 19880 2 168 . 1 1 16 16 THR CG2 C 13 21.841 0.300 . . . . . A 16 THR CG2 . 19880 2 169 . 1 1 16 16 THR N N 15 115.837 0.300 . . . . . A 16 THR N . 19880 2 170 . 1 1 17 17 ALA H H 1 7.607 0.020 . . . . . A 17 ALA H . 19880 2 171 . 1 1 17 17 ALA HA H 1 4.014 0.020 . . . . . A 17 ALA HA . 19880 2 172 . 1 1 17 17 ALA HB1 H 1 1.322 0.020 . . . . . A 17 ALA HB1 . 19880 2 173 . 1 1 17 17 ALA HB2 H 1 1.322 0.020 . . . . . A 17 ALA HB2 . 19880 2 174 . 1 1 17 17 ALA HB3 H 1 1.322 0.020 . . . . . A 17 ALA HB3 . 19880 2 175 . 1 1 17 17 ALA CA C 13 54.841 0.300 . . . . . A 17 ALA CA . 19880 2 176 . 1 1 17 17 ALA CB C 13 18.931 0.300 . . . . . A 17 ALA CB . 19880 2 177 . 1 1 17 17 ALA N N 15 122.585 0.300 . . . . . A 17 ALA N . 19880 2 178 . 1 1 18 18 CYS H H 1 7.640 0.020 . . . . . A 18 CYS H . 19880 2 179 . 1 1 18 18 CYS HA H 1 4.253 0.020 . . . . . A 18 CYS HA . 19880 2 180 . 1 1 18 18 CYS HB2 H 1 2.863 0.020 . . . . . A 18 CYS HB2 . 19880 2 181 . 1 1 18 18 CYS HB3 H 1 2.660 0.020 . . . . . A 18 CYS HB3 . 19880 2 182 . 1 1 18 18 CYS CA C 13 58.453 0.300 . . . . . A 18 CYS CA . 19880 2 183 . 1 1 18 18 CYS CB C 13 37.646 0.300 . . . . . A 18 CYS CB . 19880 2 184 . 1 1 18 18 CYS N N 15 118.171 0.300 . . . . . A 18 CYS N . 19880 2 185 . 1 1 19 19 ARG H H 1 9.071 0.020 . . . . . A 19 ARG H . 19880 2 186 . 1 1 19 19 ARG HA H 1 3.475 0.020 . . . . . A 19 ARG HA . 19880 2 187 . 1 1 19 19 ARG HB2 H 1 1.763 0.020 . . . . . A 19 ARG HB2 . 19880 2 188 . 1 1 19 19 ARG HB3 H 1 1.608 0.020 . . . . . A 19 ARG HB3 . 19880 2 189 . 1 1 19 19 ARG HG2 H 1 1.358 0.020 . . . . . A 19 ARG HG2 . 19880 2 190 . 1 1 19 19 ARG HG3 H 1 1.358 0.020 . . . . . A 19 ARG HG3 . 19880 2 191 . 1 1 19 19 ARG HD2 H 1 3.130 0.020 . . . . . A 19 ARG HD2 . 19880 2 192 . 1 1 19 19 ARG HD3 H 1 3.089 0.020 . . . . . A 19 ARG HD3 . 19880 2 193 . 1 1 19 19 ARG HE H 1 6.966 0.020 . . . . . A 19 ARG HE . 19880 2 194 . 1 1 19 19 ARG CA C 13 60.552 0.300 . . . . . A 19 ARG CA . 19880 2 195 . 1 1 19 19 ARG CB C 13 29.801 0.300 . . . . . A 19 ARG CB . 19880 2 196 . 1 1 19 19 ARG CG C 13 28.713 0.300 . . . . . A 19 ARG CG . 19880 2 197 . 1 1 19 19 ARG CD C 13 43.699 0.300 . . . . . A 19 ARG CD . 19880 2 198 . 1 1 19 19 ARG N N 15 120.403 0.300 . . . . . A 19 ARG N . 19880 2 199 . 1 1 19 19 ARG NE N 15 83.508 0.300 . . . . . A 19 ARG NE . 19880 2 200 . 1 1 20 20 ASN H H 1 8.408 0.020 . . . . . A 20 ASN H . 19880 2 201 . 1 1 20 20 ASN HA H 1 4.221 0.020 . . . . . A 20 ASN HA . 19880 2 202 . 1 1 20 20 ASN HB2 H 1 2.703 0.020 . . . . . A 20 ASN HB2 . 19880 2 203 . 1 1 20 20 ASN HB3 H 1 2.703 0.020 . . . . . A 20 ASN HB3 . 19880 2 204 . 1 1 20 20 ASN HD21 H 1 7.546 0.020 . . . . . A 20 ASN HD21 . 19880 2 205 . 1 1 20 20 ASN HD22 H 1 6.802 0.020 . . . . . A 20 ASN HD22 . 19880 2 206 . 1 1 20 20 ASN CA C 13 55.611 0.300 . . . . . A 20 ASN CA . 19880 2 207 . 1 1 20 20 ASN CB C 13 37.255 0.300 . . . . . A 20 ASN CB . 19880 2 208 . 1 1 20 20 ASN N N 15 117.376 0.300 . . . . . A 20 ASN N . 19880 2 209 . 1 1 20 20 ASN ND2 N 15 111.411 0.300 . . . . . A 20 ASN ND2 . 19880 2 210 . 1 1 21 21 HIS H H 1 7.827 0.020 . . . . . A 21 HIS H . 19880 2 211 . 1 1 21 21 HIS HA H 1 4.174 0.020 . . . . . A 21 HIS HA . 19880 2 212 . 1 1 21 21 HIS HB2 H 1 3.030 0.020 . . . . . A 21 HIS HB2 . 19880 2 213 . 1 1 21 21 HIS HB3 H 1 2.864 0.020 . . . . . A 21 HIS HB3 . 19880 2 214 . 1 1 21 21 HIS HD2 H 1 6.572 0.020 . . . . . A 21 HIS HD2 . 19880 2 215 . 1 1 21 21 HIS HE1 H 1 7.485 0.020 . . . . . A 21 HIS HE1 . 19880 2 216 . 1 1 21 21 HIS CA C 13 59.154 0.300 . . . . . A 21 HIS CA . 19880 2 217 . 1 1 21 21 HIS CB C 13 31.588 0.300 . . . . . A 21 HIS CB . 19880 2 218 . 1 1 21 21 HIS CD2 C 13 118.691 0.300 . . . . . A 21 HIS CD2 . 19880 2 219 . 1 1 21 21 HIS CE1 C 13 137.934 0.300 . . . . . A 21 HIS CE1 . 19880 2 220 . 1 1 22 22 CYS H H 1 8.497 0.020 . . . . . A 22 CYS H . 19880 2 221 . 1 1 22 22 CYS HA H 1 3.159 0.020 . . . . . A 22 CYS HA . 19880 2 222 . 1 1 22 22 CYS HB2 H 1 2.493 0.020 . . . . . A 22 CYS HB2 . 19880 2 223 . 1 1 22 22 CYS HB3 H 1 2.355 0.020 . . . . . A 22 CYS HB3 . 19880 2 224 . 1 1 22 22 CYS CA C 13 58.221 0.300 . . . . . A 22 CYS CA . 19880 2 225 . 1 1 22 22 CYS CB C 13 37.178 0.300 . . . . . A 22 CYS CB . 19880 2 226 . 1 1 22 22 CYS N N 15 117.478 0.300 . . . . . A 22 CYS N . 19880 2 227 . 1 1 23 23 ARG H H 1 7.985 0.020 . . . . . A 23 ARG H . 19880 2 228 . 1 1 23 23 ARG HA H 1 4.667 0.020 . . . . . A 23 ARG HA . 19880 2 229 . 1 1 23 23 ARG HB2 H 1 1.949 0.020 . . . . . A 23 ARG HB2 . 19880 2 230 . 1 1 23 23 ARG HB3 H 1 1.588 0.020 . . . . . A 23 ARG HB3 . 19880 2 231 . 1 1 23 23 ARG HG2 H 1 1.487 0.020 . . . . . A 23 ARG HG2 . 19880 2 232 . 1 1 23 23 ARG HG3 H 1 1.383 0.020 . . . . . A 23 ARG HG3 . 19880 2 233 . 1 1 23 23 ARG HD2 H 1 3.004 0.020 . . . . . A 23 ARG HD2 . 19880 2 234 . 1 1 23 23 ARG HD3 H 1 2.946 0.020 . . . . . A 23 ARG HD3 . 19880 2 235 . 1 1 23 23 ARG HE H 1 6.673 0.020 . . . . . A 23 ARG HE . 19880 2 236 . 1 1 23 23 ARG CA C 13 57.028 0.300 . . . . . A 23 ARG CA . 19880 2 237 . 1 1 23 23 ARG CB C 13 30.655 0.300 . . . . . A 23 ARG CB . 19880 2 238 . 1 1 23 23 ARG CG C 13 27.939 0.300 . . . . . A 23 ARG CG . 19880 2 239 . 1 1 23 23 ARG CD C 13 43.732 0.300 . . . . . A 23 ARG CD . 19880 2 240 . 1 1 23 23 ARG N N 15 116.564 0.300 . . . . . A 23 ARG N . 19880 2 241 . 1 1 23 23 ARG NE N 15 83.674 0.300 . . . . . A 23 ARG NE . 19880 2 242 . 1 1 24 24 SER H H 1 7.427 0.020 . . . . . A 24 SER H . 19880 2 243 . 1 1 24 24 SER HA H 1 4.552 0.020 . . . . . A 24 SER HA . 19880 2 244 . 1 1 24 24 SER HB2 H 1 3.975 0.020 . . . . . A 24 SER HB2 . 19880 2 245 . 1 1 24 24 SER HB3 H 1 3.975 0.020 . . . . . A 24 SER HB3 . 19880 2 246 . 1 1 24 24 SER CA C 13 57.592 0.300 . . . . . A 24 SER CA . 19880 2 247 . 1 1 24 24 SER CB C 13 65.284 0.300 . . . . . A 24 SER CB . 19880 2 248 . 1 1 24 24 SER N N 15 116.676 0.300 . . . . . A 24 SER N . 19880 2 249 . 1 1 25 25 CYS H H 1 8.990 0.020 . . . . . A 25 CYS H . 19880 2 250 . 1 1 25 25 CYS HA H 1 4.636 0.020 . . . . . A 25 CYS HA . 19880 2 251 . 1 1 25 25 CYS HB2 H 1 2.949 0.020 . . . . . A 25 CYS HB2 . 19880 2 252 . 1 1 25 25 CYS HB3 H 1 2.809 0.020 . . . . . A 25 CYS HB3 . 19880 2 253 . 1 1 25 25 CYS CA C 13 56.614 0.300 . . . . . A 25 CYS CA . 19880 2 254 . 1 1 25 25 CYS CB C 13 39.273 0.300 . . . . . A 25 CYS CB . 19880 2 255 . 1 1 25 25 CYS N N 15 121.910 0.300 . . . . . A 25 CYS N . 19880 2 256 . 1 1 26 26 HIS H H 1 9.256 0.020 . . . . . A 26 HIS H . 19880 2 257 . 1 1 26 26 HIS HA H 1 4.952 0.020 . . . . . A 26 HIS HA . 19880 2 258 . 1 1 26 26 HIS HB2 H 1 3.068 0.020 . . . . . A 26 HIS HB2 . 19880 2 259 . 1 1 26 26 HIS HB3 H 1 2.579 0.020 . . . . . A 26 HIS HB3 . 19880 2 260 . 1 1 26 26 HIS HD2 H 1 6.863 0.020 . . . . . A 26 HIS HD2 . 19880 2 261 . 1 1 26 26 HIS HE1 H 1 8.304 0.020 . . . . . A 26 HIS HE1 . 19880 2 262 . 1 1 26 26 HIS HE2 H 1 12.811 0.020 . . . . . A 26 HIS HE2 . 19880 2 263 . 1 1 26 26 HIS CA C 13 54.722 0.300 . . . . . A 26 HIS CA . 19880 2 264 . 1 1 26 26 HIS CB C 13 32.100 0.300 . . . . . A 26 HIS CB . 19880 2 265 . 1 1 26 26 HIS CD2 C 13 119.631 0.300 . . . . . A 26 HIS CD2 . 19880 2 266 . 1 1 26 26 HIS CE1 C 13 134.996 0.300 . . . . . A 26 HIS CE1 . 19880 2 267 . 1 1 26 26 HIS N N 15 126.538 0.300 . . . . . A 26 HIS N . 19880 2 268 . 1 1 26 26 HIS NE2 N 15 178.216 0.300 . . . . . A 26 HIS NE2 . 19880 2 269 . 1 1 27 27 ARG H H 1 8.313 0.020 . . . . . A 27 ARG H . 19880 2 270 . 1 1 27 27 ARG HA H 1 4.022 0.020 . . . . . A 27 ARG HA . 19880 2 271 . 1 1 27 27 ARG HB2 H 1 1.874 0.020 . . . . . A 27 ARG HB2 . 19880 2 272 . 1 1 27 27 ARG HB3 H 1 1.455 0.020 . . . . . A 27 ARG HB3 . 19880 2 273 . 1 1 27 27 ARG HG2 H 1 1.619 0.020 . . . . . A 27 ARG HG2 . 19880 2 274 . 1 1 27 27 ARG HG3 H 1 1.468 0.020 . . . . . A 27 ARG HG3 . 19880 2 275 . 1 1 27 27 ARG HD2 H 1 3.034 0.020 . . . . . A 27 ARG HD2 . 19880 2 276 . 1 1 27 27 ARG HD3 H 1 3.034 0.020 . . . . . A 27 ARG HD3 . 19880 2 277 . 1 1 27 27 ARG HE H 1 7.062 0.020 . . . . . A 27 ARG HE . 19880 2 278 . 1 1 27 27 ARG CA C 13 57.477 0.300 . . . . . A 27 ARG CA . 19880 2 279 . 1 1 27 27 ARG CB C 13 29.880 0.300 . . . . . A 27 ARG CB . 19880 2 280 . 1 1 27 27 ARG CG C 13 26.774 0.300 . . . . . A 27 ARG CG . 19880 2 281 . 1 1 27 27 ARG CD C 13 42.692 0.300 . . . . . A 27 ARG CD . 19880 2 282 . 1 1 27 27 ARG N N 15 121.950 0.300 . . . . . A 27 ARG N . 19880 2 283 . 1 1 27 27 ARG NE N 15 84.548 0.300 . . . . . A 27 ARG NE . 19880 2 284 . 1 1 28 28 GLY H H 1 8.491 0.020 . . . . . A 28 GLY H . 19880 2 285 . 1 1 28 28 GLY HA2 H 1 4.674 0.020 . . . . . A 28 GLY HA2 . 19880 2 286 . 1 1 28 28 GLY HA3 H 1 3.631 0.020 . . . . . A 28 GLY HA3 . 19880 2 287 . 1 1 28 28 GLY CA C 13 43.972 0.300 . . . . . A 28 GLY CA . 19880 2 288 . 1 1 28 28 GLY N N 15 119.179 0.300 . . . . . A 28 GLY N . 19880 2 289 . 1 1 29 29 ASP H H 1 8.632 0.020 . . . . . A 29 ASP H . 19880 2 290 . 1 1 29 29 ASP HA H 1 4.253 0.020 . . . . . A 29 ASP HA . 19880 2 291 . 1 1 29 29 ASP HB2 H 1 2.660 0.020 . . . . . A 29 ASP HB2 . 19880 2 292 . 1 1 29 29 ASP HB3 H 1 2.569 0.020 . . . . . A 29 ASP HB3 . 19880 2 293 . 1 1 29 29 ASP CA C 13 57.446 0.300 . . . . . A 29 ASP CA . 19880 2 294 . 1 1 29 29 ASP CB C 13 40.438 0.300 . . . . . A 29 ASP CB . 19880 2 295 . 1 1 29 29 ASP N N 15 121.172 0.300 . . . . . A 29 ASP N . 19880 2 296 . 1 1 30 30 VAL H H 1 8.032 0.020 . . . . . A 30 VAL H . 19880 2 297 . 1 1 30 30 VAL HA H 1 4.223 0.020 . . . . . A 30 VAL HA . 19880 2 298 . 1 1 30 30 VAL HB H 1 2.085 0.020 . . . . . A 30 VAL HB . 19880 2 299 . 1 1 30 30 VAL HG11 H 1 0.700 0.020 . . . . . A 30 VAL HG11 . 19880 2 300 . 1 1 30 30 VAL HG12 H 1 0.700 0.020 . . . . . A 30 VAL HG12 . 19880 2 301 . 1 1 30 30 VAL HG13 H 1 0.700 0.020 . . . . . A 30 VAL HG13 . 19880 2 302 . 1 1 30 30 VAL HG21 H 1 0.773 0.020 . . . . . A 30 VAL HG21 . 19880 2 303 . 1 1 30 30 VAL HG22 H 1 0.773 0.020 . . . . . A 30 VAL HG22 . 19880 2 304 . 1 1 30 30 VAL HG23 H 1 0.773 0.020 . . . . . A 30 VAL HG23 . 19880 2 305 . 1 1 30 30 VAL CA C 13 61.407 0.300 . . . . . A 30 VAL CA . 19880 2 306 . 1 1 30 30 VAL CB C 13 32.905 0.300 . . . . . A 30 VAL CB . 19880 2 307 . 1 1 30 30 VAL CG1 C 13 19.476 0.300 . . . . . A 30 VAL CG1 . 19880 2 308 . 1 1 30 30 VAL CG2 C 13 21.104 0.300 . . . . . A 30 VAL CG2 . 19880 2 309 . 1 1 30 30 VAL N N 15 112.634 0.300 . . . . . A 30 VAL N . 19880 2 310 . 1 1 31 31 GLY H H 1 7.516 0.020 . . . . . A 31 GLY H . 19880 2 311 . 1 1 31 31 GLY HA2 H 1 4.049 0.020 . . . . . A 31 GLY HA2 . 19880 2 312 . 1 1 31 31 GLY HA3 H 1 3.652 0.020 . . . . . A 31 GLY HA3 . 19880 2 313 . 1 1 31 31 GLY CA C 13 44.366 0.300 . . . . . A 31 GLY CA . 19880 2 314 . 1 1 31 31 GLY N N 15 109.426 0.300 . . . . . A 31 GLY N . 19880 2 315 . 1 1 32 32 CYS H H 1 8.553 0.020 . . . . . A 32 CYS H . 19880 2 316 . 1 1 32 32 CYS HA H 1 4.946 0.020 . . . . . A 32 CYS HA . 19880 2 317 . 1 1 32 32 CYS HB2 H 1 2.850 0.020 . . . . . A 32 CYS HB2 . 19880 2 318 . 1 1 32 32 CYS HB3 H 1 2.850 0.020 . . . . . A 32 CYS HB3 . 19880 2 319 . 1 1 32 32 CYS CA C 13 54.181 0.300 . . . . . A 32 CYS CA . 19880 2 320 . 1 1 32 32 CYS CB C 13 41.296 0.300 . . . . . A 32 CYS CB . 19880 2 321 . 1 1 32 32 CYS N N 15 121.627 0.300 . . . . . A 32 CYS N . 19880 2 322 . 1 1 33 33 VAL H H 1 9.023 0.020 . . . . . A 33 VAL H . 19880 2 323 . 1 1 33 33 VAL HA H 1 4.795 0.020 . . . . . A 33 VAL HA . 19880 2 324 . 1 1 33 33 VAL HB H 1 1.602 0.020 . . . . . A 33 VAL HB . 19880 2 325 . 1 1 33 33 VAL HG11 H 1 0.321 0.020 . . . . . A 33 VAL HG11 . 19880 2 326 . 1 1 33 33 VAL HG12 H 1 0.321 0.020 . . . . . A 33 VAL HG12 . 19880 2 327 . 1 1 33 33 VAL HG13 H 1 0.321 0.020 . . . . . A 33 VAL HG13 . 19880 2 328 . 1 1 33 33 VAL HG21 H 1 0.554 0.020 . . . . . A 33 VAL HG21 . 19880 2 329 . 1 1 33 33 VAL HG22 H 1 0.554 0.020 . . . . . A 33 VAL HG22 . 19880 2 330 . 1 1 33 33 VAL HG23 H 1 0.554 0.020 . . . . . A 33 VAL HG23 . 19880 2 331 . 1 1 33 33 VAL CA C 13 59.311 0.300 . . . . . A 33 VAL CA . 19880 2 332 . 1 1 33 33 VAL CB C 13 36.480 0.300 . . . . . A 33 VAL CB . 19880 2 333 . 1 1 33 33 VAL CG1 C 13 17.690 0.300 . . . . . A 33 VAL CG1 . 19880 2 334 . 1 1 33 33 VAL CG2 C 13 22.504 0.300 . . . . . A 33 VAL CG2 . 19880 2 335 . 1 1 33 33 VAL N N 15 119.338 0.300 . . . . . A 33 VAL N . 19880 2 336 . 1 1 34 34 ARG H H 1 8.344 0.020 . . . . . A 34 ARG H . 19880 2 337 . 1 1 34 34 ARG HA H 1 4.699 0.020 . . . . . A 34 ARG HA . 19880 2 338 . 1 1 34 34 ARG HB2 H 1 1.474 0.020 . . . . . A 34 ARG HB2 . 19880 2 339 . 1 1 34 34 ARG HB3 H 1 1.474 0.020 . . . . . A 34 ARG HB3 . 19880 2 340 . 1 1 34 34 ARG HG2 H 1 1.426 0.020 . . . . . A 34 ARG HG2 . 19880 2 341 . 1 1 34 34 ARG HG3 H 1 1.261 0.020 . . . . . A 34 ARG HG3 . 19880 2 342 . 1 1 34 34 ARG HD2 H 1 3.046 0.020 . . . . . A 34 ARG HD2 . 19880 2 343 . 1 1 34 34 ARG HD3 H 1 3.046 0.020 . . . . . A 34 ARG HD3 . 19880 2 344 . 1 1 34 34 ARG HE H 1 7.186 0.020 . . . . . A 34 ARG HE . 19880 2 345 . 1 1 34 34 ARG CA C 13 55.192 0.300 . . . . . A 34 ARG CA . 19880 2 346 . 1 1 34 34 ARG CB C 13 33.138 0.300 . . . . . A 34 ARG CB . 19880 2 347 . 1 1 34 34 ARG CG C 13 27.205 0.300 . . . . . A 34 ARG CG . 19880 2 348 . 1 1 34 34 ARG CD C 13 43.821 0.300 . . . . . A 34 ARG CD . 19880 2 349 . 1 1 34 34 ARG N N 15 120.306 0.300 . . . . . A 34 ARG N . 19880 2 350 . 1 1 34 34 ARG NE N 15 84.450 0.300 . . . . . A 34 ARG NE . 19880 2 351 . 1 1 35 35 CYS H H 1 8.549 0.020 . . . . . A 35 CYS H . 19880 2 352 . 1 1 35 35 CYS HA H 1 6.051 0.020 . . . . . A 35 CYS HA . 19880 2 353 . 1 1 35 35 CYS HB2 H 1 3.490 0.020 . . . . . A 35 CYS HB2 . 19880 2 354 . 1 1 35 35 CYS HB3 H 1 2.605 0.020 . . . . . A 35 CYS HB3 . 19880 2 355 . 1 1 35 35 CYS CA C 13 55.277 0.300 . . . . . A 35 CYS CA . 19880 2 356 . 1 1 35 35 CYS CB C 13 44.553 0.300 . . . . . A 35 CYS CB . 19880 2 357 . 1 1 35 35 CYS N N 15 117.995 0.300 . . . . . A 35 CYS N . 19880 2 358 . 1 1 36 36 SER H H 1 7.675 0.020 . . . . . A 36 SER H . 19880 2 359 . 1 1 36 36 SER HA H 1 4.326 0.020 . . . . . A 36 SER HA . 19880 2 360 . 1 1 36 36 SER HB2 H 1 3.723 0.020 . . . . . A 36 SER HB2 . 19880 2 361 . 1 1 36 36 SER HB3 H 1 3.684 0.020 . . . . . A 36 SER HB3 . 19880 2 362 . 1 1 36 36 SER CA C 13 60.945 0.300 . . . . . A 36 SER CA . 19880 2 363 . 1 1 36 36 SER CB C 13 64.743 0.300 . . . . . A 36 SER CB . 19880 2 364 . 1 1 36 36 SER N N 15 113.929 0.300 . . . . . A 36 SER N . 19880 2 365 . 1 1 37 37 ASN H H 1 7.750 0.020 . . . . . A 37 ASN H . 19880 2 366 . 1 1 37 37 ASN HA H 1 4.408 0.020 . . . . . A 37 ASN HA . 19880 2 367 . 1 1 37 37 ASN HB2 H 1 2.715 0.020 . . . . . A 37 ASN HB2 . 19880 2 368 . 1 1 37 37 ASN HB3 H 1 2.494 0.020 . . . . . A 37 ASN HB3 . 19880 2 369 . 1 1 37 37 ASN HD21 H 1 7.730 0.020 . . . . . A 37 ASN HD21 . 19880 2 370 . 1 1 37 37 ASN HD22 H 1 7.119 0.020 . . . . . A 37 ASN HD22 . 19880 2 371 . 1 1 37 37 ASN CA C 13 52.086 0.300 . . . . . A 37 ASN CA . 19880 2 372 . 1 1 37 37 ASN CB C 13 41.374 0.300 . . . . . A 37 ASN CB . 19880 2 373 . 1 1 37 37 ASN N N 15 116.994 0.300 . . . . . A 37 ASN N . 19880 2 374 . 1 1 37 37 ASN ND2 N 15 113.186 0.300 . . . . . A 37 ASN ND2 . 19880 2 375 . 1 1 38 38 ALA H H 1 9.320 0.020 . . . . . A 38 ALA H . 19880 2 376 . 1 1 38 38 ALA HA H 1 5.162 0.020 . . . . . A 38 ALA HA . 19880 2 377 . 1 1 38 38 ALA HB1 H 1 1.236 0.020 . . . . . A 38 ALA HB1 . 19880 2 378 . 1 1 38 38 ALA HB2 H 1 1.236 0.020 . . . . . A 38 ALA HB2 . 19880 2 379 . 1 1 38 38 ALA HB3 H 1 1.236 0.020 . . . . . A 38 ALA HB3 . 19880 2 380 . 1 1 38 38 ALA CA C 13 52.134 0.300 . . . . . A 38 ALA CA . 19880 2 381 . 1 1 38 38 ALA CB C 13 19.193 0.300 . . . . . A 38 ALA CB . 19880 2 382 . 1 1 38 38 ALA N N 15 123.739 0.300 . . . . . A 38 ALA N . 19880 2 383 . 1 1 39 39 GLN H H 1 8.743 0.020 . . . . . A 39 GLN H . 19880 2 384 . 1 1 39 39 GLN HA H 1 4.313 0.020 . . . . . A 39 GLN HA . 19880 2 385 . 1 1 39 39 GLN HB2 H 1 2.217 0.020 . . . . . A 39 GLN HB2 . 19880 2 386 . 1 1 39 39 GLN HB3 H 1 2.111 0.020 . . . . . A 39 GLN HB3 . 19880 2 387 . 1 1 39 39 GLN HG2 H 1 1.804 0.020 . . . . . A 39 GLN HG2 . 19880 2 388 . 1 1 39 39 GLN HG3 H 1 1.584 0.020 . . . . . A 39 GLN HG3 . 19880 2 389 . 1 1 39 39 GLN HE21 H 1 7.272 0.020 . . . . . A 39 GLN HE21 . 19880 2 390 . 1 1 39 39 GLN HE22 H 1 6.718 0.020 . . . . . A 39 GLN HE22 . 19880 2 391 . 1 1 39 39 GLN CA C 13 54.749 0.300 . . . . . A 39 GLN CA . 19880 2 392 . 1 1 39 39 GLN CB C 13 33.817 0.300 . . . . . A 39 GLN CB . 19880 2 393 . 1 1 39 39 GLN CG C 13 33.684 0.300 . . . . . A 39 GLN CG . 19880 2 394 . 1 1 39 39 GLN N N 15 116.453 0.300 . . . . . A 39 GLN N . 19880 2 395 . 1 1 39 39 GLN NE2 N 15 110.729 0.300 . . . . . A 39 GLN NE2 . 19880 2 396 . 1 1 40 40 CYS H H 1 8.535 0.020 . . . . . A 40 CYS H . 19880 2 397 . 1 1 40 40 CYS HA H 1 5.549 0.020 . . . . . A 40 CYS HA . 19880 2 398 . 1 1 40 40 CYS HB2 H 1 3.271 0.020 . . . . . A 40 CYS HB2 . 19880 2 399 . 1 1 40 40 CYS HB3 H 1 2.699 0.020 . . . . . A 40 CYS HB3 . 19880 2 400 . 1 1 40 40 CYS CA C 13 54.413 0.300 . . . . . A 40 CYS CA . 19880 2 401 . 1 1 40 40 CYS CB C 13 40.902 0.300 . . . . . A 40 CYS CB . 19880 2 402 . 1 1 40 40 CYS N N 15 122.022 0.300 . . . . . A 40 CYS N . 19880 2 403 . 1 1 41 41 THR H H 1 9.776 0.020 . . . . . A 41 THR H . 19880 2 404 . 1 1 41 41 THR HA H 1 4.641 0.020 . . . . . A 41 THR HA . 19880 2 405 . 1 1 41 41 THR HB H 1 4.262 0.020 . . . . . A 41 THR HB . 19880 2 406 . 1 1 41 41 THR HG21 H 1 1.016 0.020 . . . . . A 41 THR HG21 . 19880 2 407 . 1 1 41 41 THR HG22 H 1 1.016 0.020 . . . . . A 41 THR HG22 . 19880 2 408 . 1 1 41 41 THR HG23 H 1 1.016 0.020 . . . . . A 41 THR HG23 . 19880 2 409 . 1 1 41 41 THR CA C 13 60.550 0.300 . . . . . A 41 THR CA . 19880 2 410 . 1 1 41 41 THR CB C 13 71.033 0.300 . . . . . A 41 THR CB . 19880 2 411 . 1 1 41 41 THR CG2 C 13 21.495 0.300 . . . . . A 41 THR CG2 . 19880 2 412 . 1 1 41 41 THR N N 15 117.675 0.300 . . . . . A 41 THR N . 19880 2 413 . 1 1 42 42 GLY H H 1 8.247 0.020 . . . . . A 42 GLY H . 19880 2 414 . 1 1 42 42 GLY HA2 H 1 4.413 0.020 . . . . . A 42 GLY HA2 . 19880 2 415 . 1 1 42 42 GLY HA3 H 1 3.715 0.020 . . . . . A 42 GLY HA3 . 19880 2 416 . 1 1 42 42 GLY CA C 13 44.015 0.300 . . . . . A 42 GLY CA . 19880 2 417 . 1 1 42 42 GLY N N 15 105.754 0.300 . . . . . A 42 GLY N . 19880 2 418 . 1 1 43 43 PHE H H 1 8.707 0.020 . . . . . A 43 PHE H . 19880 2 419 . 1 1 43 43 PHE HA H 1 4.298 0.020 . . . . . A 43 PHE HA . 19880 2 420 . 1 1 43 43 PHE HB2 H 1 3.095 0.020 . . . . . A 43 PHE HB2 . 19880 2 421 . 1 1 43 43 PHE HB3 H 1 2.837 0.020 . . . . . A 43 PHE HB3 . 19880 2 422 . 1 1 43 43 PHE HD1 H 1 7.176 0.020 . . . . . A 43 PHE HD1 . 19880 2 423 . 1 1 43 43 PHE HD2 H 1 7.176 0.020 . . . . . A 43 PHE HD2 . 19880 2 424 . 1 1 43 43 PHE HE1 H 1 7.276 0.020 . . . . . A 43 PHE HE1 . 19880 2 425 . 1 1 43 43 PHE HE2 H 1 7.276 0.020 . . . . . A 43 PHE HE2 . 19880 2 426 . 1 1 43 43 PHE HZ H 1 7.221 0.020 . . . . . A 43 PHE HZ . 19880 2 427 . 1 1 43 43 PHE CA C 13 60.196 0.300 . . . . . A 43 PHE CA . 19880 2 428 . 1 1 43 43 PHE CB C 13 38.650 0.300 . . . . . A 43 PHE CB . 19880 2 429 . 1 1 43 43 PHE CD1 C 13 131.577 0.300 . . . . . A 43 PHE CD1 . 19880 2 430 . 1 1 43 43 PHE CE1 C 13 131.537 0.300 . . . . . A 43 PHE CE1 . 19880 2 431 . 1 1 43 43 PHE CZ C 13 129.967 0.300 . . . . . A 43 PHE CZ . 19880 2 432 . 1 1 43 43 PHE N N 15 123.286 0.300 . . . . . A 43 PHE N . 19880 2 433 . 1 1 44 44 LEU H H 1 8.734 0.020 . . . . . A 44 LEU H . 19880 2 434 . 1 1 44 44 LEU HA H 1 3.848 0.020 . . . . . A 44 LEU HA . 19880 2 435 . 1 1 44 44 LEU HB2 H 1 1.518 0.020 . . . . . A 44 LEU HB2 . 19880 2 436 . 1 1 44 44 LEU HB3 H 1 1.387 0.020 . . . . . A 44 LEU HB3 . 19880 2 437 . 1 1 44 44 LEU HG H 1 1.245 0.020 . . . . . A 44 LEU HG . 19880 2 438 . 1 1 44 44 LEU HD11 H 1 0.619 0.020 . . . . . A 44 LEU HD11 . 19880 2 439 . 1 1 44 44 LEU HD12 H 1 0.619 0.020 . . . . . A 44 LEU HD12 . 19880 2 440 . 1 1 44 44 LEU HD13 H 1 0.619 0.020 . . . . . A 44 LEU HD13 . 19880 2 441 . 1 1 44 44 LEU HD21 H 1 0.508 0.020 . . . . . A 44 LEU HD21 . 19880 2 442 . 1 1 44 44 LEU HD22 H 1 0.508 0.020 . . . . . A 44 LEU HD22 . 19880 2 443 . 1 1 44 44 LEU HD23 H 1 0.508 0.020 . . . . . A 44 LEU HD23 . 19880 2 444 . 1 1 44 44 LEU CB C 13 40.386 0.300 . . . . . A 44 LEU CB . 19880 2 445 . 1 1 44 44 LEU CG C 13 27.472 0.300 . . . . . A 44 LEU CG . 19880 2 446 . 1 1 44 44 LEU CD1 C 13 25.609 0.300 . . . . . A 44 LEU CD1 . 19880 2 447 . 1 1 44 44 LEU CD2 C 13 22.119 0.300 . . . . . A 44 LEU CD2 . 19880 2 448 . 1 1 44 44 LEU N N 15 120.771 0.300 . . . . . A 44 LEU N . 19880 2 449 . 1 1 45 45 GLY H H 1 7.831 0.020 . . . . . A 45 GLY H . 19880 2 450 . 1 1 45 45 GLY HA2 H 1 3.563 0.020 . . . . . A 45 GLY HA2 . 19880 2 451 . 1 1 45 45 GLY HA3 H 1 3.162 0.020 . . . . . A 45 GLY HA3 . 19880 2 452 . 1 1 45 45 GLY CA C 13 47.311 0.300 . . . . . A 45 GLY CA . 19880 2 453 . 1 1 45 45 GLY N N 15 107.545 0.300 . . . . . A 45 GLY N . 19880 2 454 . 1 1 46 46 THR H H 1 6.824 0.020 . . . . . A 46 THR H . 19880 2 455 . 1 1 46 46 THR HA H 1 3.901 0.020 . . . . . A 46 THR HA . 19880 2 456 . 1 1 46 46 THR HB H 1 4.269 0.020 . . . . . A 46 THR HB . 19880 2 457 . 1 1 46 46 THR HG21 H 1 1.011 0.020 . . . . . A 46 THR HG21 . 19880 2 458 . 1 1 46 46 THR HG22 H 1 1.011 0.020 . . . . . A 46 THR HG22 . 19880 2 459 . 1 1 46 46 THR HG23 H 1 1.011 0.020 . . . . . A 46 THR HG23 . 19880 2 460 . 1 1 46 46 THR CA C 13 62.180 0.300 . . . . . A 46 THR CA . 19880 2 461 . 1 1 46 46 THR CB C 13 70.021 0.300 . . . . . A 46 THR CB . 19880 2 462 . 1 1 46 46 THR CG2 C 13 21.959 0.300 . . . . . A 46 THR CG2 . 19880 2 463 . 1 1 46 46 THR N N 15 104.404 0.300 . . . . . A 46 THR N . 19880 2 464 . 1 1 47 47 THR H H 1 8.744 0.020 . . . . . A 47 THR H . 19880 2 465 . 1 1 47 47 THR HA H 1 4.371 0.020 . . . . . A 47 THR HA . 19880 2 466 . 1 1 47 47 THR HB H 1 3.766 0.020 . . . . . A 47 THR HB . 19880 2 467 . 1 1 47 47 THR HG21 H 1 0.983 0.020 . . . . . A 47 THR HG21 . 19880 2 468 . 1 1 47 47 THR HG22 H 1 0.983 0.020 . . . . . A 47 THR HG22 . 19880 2 469 . 1 1 47 47 THR HG23 H 1 0.983 0.020 . . . . . A 47 THR HG23 . 19880 2 470 . 1 1 47 47 THR CA C 13 62.843 0.300 . . . . . A 47 THR CA . 19880 2 471 . 1 1 47 47 THR CB C 13 70.176 0.300 . . . . . A 47 THR CB . 19880 2 472 . 1 1 47 47 THR CG2 C 13 21.391 0.300 . . . . . A 47 THR CG2 . 19880 2 473 . 1 1 47 47 THR N N 15 123.250 0.300 . . . . . A 47 THR N . 19880 2 474 . 1 1 48 48 CYS H H 1 9.252 0.020 . . . . . A 48 CYS H . 19880 2 475 . 1 1 48 48 CYS HA H 1 4.973 0.020 . . . . . A 48 CYS HA . 19880 2 476 . 1 1 48 48 CYS HB2 H 1 2.998 0.020 . . . . . A 48 CYS HB2 . 19880 2 477 . 1 1 48 48 CYS HB3 H 1 2.921 0.020 . . . . . A 48 CYS HB3 . 19880 2 478 . 1 1 48 48 CYS CA C 13 55.984 0.300 . . . . . A 48 CYS CA . 19880 2 479 . 1 1 48 48 CYS CB C 13 36.282 0.300 . . . . . A 48 CYS CB . 19880 2 480 . 1 1 48 48 CYS N N 15 127.947 0.300 . . . . . A 48 CYS N . 19880 2 481 . 1 1 49 49 THR H H 1 9.171 0.020 . . . . . A 49 THR H . 19880 2 482 . 1 1 49 49 THR HA H 1 4.364 0.020 . . . . . A 49 THR HA . 19880 2 483 . 1 1 49 49 THR HB H 1 3.878 0.020 . . . . . A 49 THR HB . 19880 2 484 . 1 1 49 49 THR HG21 H 1 1.060 0.020 . . . . . A 49 THR HG21 . 19880 2 485 . 1 1 49 49 THR HG22 H 1 1.060 0.020 . . . . . A 49 THR HG22 . 19880 2 486 . 1 1 49 49 THR HG23 H 1 1.060 0.020 . . . . . A 49 THR HG23 . 19880 2 487 . 1 1 49 49 THR CA C 13 61.871 0.300 . . . . . A 49 THR CA . 19880 2 488 . 1 1 49 49 THR CB C 13 69.789 0.300 . . . . . A 49 THR CB . 19880 2 489 . 1 1 49 49 THR CG2 C 13 21.671 0.300 . . . . . A 49 THR CG2 . 19880 2 490 . 1 1 49 49 THR N N 15 131.752 0.300 . . . . . A 49 THR N . 19880 2 491 . 1 1 50 50 CYS H H 1 8.856 0.020 . . . . . A 50 CYS H . 19880 2 492 . 1 1 50 50 CYS HA H 1 5.035 0.020 . . . . . A 50 CYS HA . 19880 2 493 . 1 1 50 50 CYS HB2 H 1 2.890 0.020 . . . . . A 50 CYS HB2 . 19880 2 494 . 1 1 50 50 CYS HB3 H 1 3.148 0.020 . . . . . A 50 CYS HB3 . 19880 2 495 . 1 1 50 50 CYS CA C 13 51.880 0.300 . . . . . A 50 CYS CA . 19880 2 496 . 1 1 50 50 CYS CB C 13 34.934 0.300 . . . . . A 50 CYS CB . 19880 2 497 . 1 1 50 50 CYS N N 15 123.764 0.300 . . . . . A 50 CYS N . 19880 2 498 . 1 1 51 51 ILE H H 1 8.091 0.020 . . . . . A 51 ILE H . 19880 2 499 . 1 1 51 51 ILE HA H 1 4.143 0.020 . . . . . A 51 ILE HA . 19880 2 500 . 1 1 51 51 ILE HB H 1 1.066 0.020 . . . . . A 51 ILE HB . 19880 2 501 . 1 1 51 51 ILE HG12 H 1 1.225 0.020 . . . . . A 51 ILE HG12 . 19880 2 502 . 1 1 51 51 ILE HG13 H 1 1.015 0.020 . . . . . A 51 ILE HG13 . 19880 2 503 . 1 1 51 51 ILE HG21 H 1 1.011 0.020 . . . . . A 51 ILE HG21 . 19880 2 504 . 1 1 51 51 ILE HG22 H 1 1.011 0.020 . . . . . A 51 ILE HG22 . 19880 2 505 . 1 1 51 51 ILE HG23 H 1 1.011 0.020 . . . . . A 51 ILE HG23 . 19880 2 506 . 1 1 51 51 ILE HD11 H 1 0.531 0.020 . . . . . A 51 ILE HD11 . 19880 2 507 . 1 1 51 51 ILE HD12 H 1 0.531 0.020 . . . . . A 51 ILE HD12 . 19880 2 508 . 1 1 51 51 ILE HD13 H 1 0.531 0.020 . . . . . A 51 ILE HD13 . 19880 2 509 . 1 1 51 51 ILE CA C 13 59.619 0.300 . . . . . A 51 ILE CA . 19880 2 510 . 1 1 51 51 ILE CB C 13 39.380 0.300 . . . . . A 51 ILE CB . 19880 2 511 . 1 1 51 51 ILE CG1 C 13 26.813 0.300 . . . . . A 51 ILE CG1 . 19880 2 512 . 1 1 51 51 ILE CG2 C 13 16.136 0.300 . . . . . A 51 ILE CG2 . 19880 2 513 . 1 1 51 51 ILE CD1 C 13 11.167 0.300 . . . . . A 51 ILE CD1 . 19880 2 514 . 1 1 51 51 ILE N N 15 123.915 0.300 . . . . . A 51 ILE N . 19880 2 515 . 1 1 52 52 ASN H H 1 8.326 0.020 . . . . . A 52 ASN H . 19880 2 516 . 1 1 52 52 ASN HA H 1 4.737 0.020 . . . . . A 52 ASN HA . 19880 2 517 . 1 1 52 52 ASN HB2 H 1 2.657 0.020 . . . . . A 52 ASN HB2 . 19880 2 518 . 1 1 52 52 ASN HB3 H 1 2.525 0.020 . . . . . A 52 ASN HB3 . 19880 2 519 . 1 1 52 52 ASN HD21 H 1 7.435 0.020 . . . . . A 52 ASN HD21 . 19880 2 520 . 1 1 52 52 ASN HD22 H 1 6.760 0.020 . . . . . A 52 ASN HD22 . 19880 2 521 . 1 1 52 52 ASN CA C 13 52.891 0.300 . . . . . A 52 ASN CA . 19880 2 522 . 1 1 52 52 ASN CB C 13 37.913 0.300 . . . . . A 52 ASN CB . 19880 2 523 . 1 1 52 52 ASN N N 15 126.041 0.300 . . . . . A 52 ASN N . 19880 2 524 . 1 1 52 52 ASN ND2 N 15 111.646 0.300 . . . . . A 52 ASN ND2 . 19880 2 525 . 1 1 53 53 PRO HA H 1 4.307 0.020 . . . . . A 53 PRO HA . 19880 2 526 . 1 1 53 53 PRO HB2 H 1 2.396 0.020 . . . . . A 53 PRO HB2 . 19880 2 527 . 1 1 53 53 PRO HB3 H 1 1.983 0.020 . . . . . A 53 PRO HB3 . 19880 2 528 . 1 1 53 53 PRO HG2 H 1 1.915 0.020 . . . . . A 53 PRO HG2 . 19880 2 529 . 1 1 53 53 PRO HG3 H 1 1.792 0.020 . . . . . A 53 PRO HG3 . 19880 2 530 . 1 1 53 53 PRO HD2 H 1 3.578 0.020 . . . . . A 53 PRO HD2 . 19880 2 531 . 1 1 53 53 PRO HD3 H 1 3.503 0.020 . . . . . A 53 PRO HD3 . 19880 2 532 . 1 1 53 53 PRO CA C 13 63.033 0.300 . . . . . A 53 PRO CA . 19880 2 533 . 1 1 53 53 PRO CB C 13 35.860 0.300 . . . . . A 53 PRO CB . 19880 2 534 . 1 1 53 53 PRO CG C 13 25.454 0.300 . . . . . A 53 PRO CG . 19880 2 535 . 1 1 53 53 PRO CD C 13 51.623 0.300 . . . . . A 53 PRO CD . 19880 2 536 . 1 1 54 54 CYS H H 1 8.864 0.020 . . . . . A 54 CYS H . 19880 2 537 . 1 1 54 54 CYS HA H 1 5.736 0.020 . . . . . A 54 CYS HA . 19880 2 538 . 1 1 54 54 CYS HB2 H 1 3.068 0.020 . . . . . A 54 CYS HB2 . 19880 2 539 . 1 1 54 54 CYS HB3 H 1 2.617 0.020 . . . . . A 54 CYS HB3 . 19880 2 540 . 1 1 54 54 CYS CA C 13 54.150 0.300 . . . . . A 54 CYS CA . 19880 2 541 . 1 1 54 54 CYS CB C 13 46.154 0.300 . . . . . A 54 CYS CB . 19880 2 542 . 1 1 54 54 CYS N N 15 123.023 0.300 . . . . . A 54 CYS N . 19880 2 543 . 1 1 55 55 PRO HA H 1 4.286 0.020 . . . . . A 55 PRO HA . 19880 2 544 . 1 1 55 55 PRO HB2 H 1 2.151 0.020 . . . . . A 55 PRO HB2 . 19880 2 545 . 1 1 55 55 PRO HB3 H 1 1.879 0.020 . . . . . A 55 PRO HB3 . 19880 2 546 . 1 1 55 55 PRO HG2 H 1 1.875 0.020 . . . . . A 55 PRO HG2 . 19880 2 547 . 1 1 55 55 PRO HG3 H 1 1.772 0.020 . . . . . A 55 PRO HG3 . 19880 2 548 . 1 1 55 55 PRO HD2 H 1 4.219 0.020 . . . . . A 55 PRO HD2 . 19880 2 549 . 1 1 55 55 PRO HD3 H 1 3.014 0.020 . . . . . A 55 PRO HD3 . 19880 2 550 . 1 1 55 55 PRO CA C 13 62.258 0.300 . . . . . A 55 PRO CA . 19880 2 551 . 1 1 55 55 PRO CB C 13 32.450 0.300 . . . . . A 55 PRO CB . 19880 2 552 . 1 1 55 55 PRO CG C 13 27.369 0.300 . . . . . A 55 PRO CG . 19880 2 553 . 1 1 55 55 PRO CD C 13 50.457 0.300 . . . . . A 55 PRO CD . 19880 2 554 . 1 1 56 56 ARG H H 1 7.888 0.020 . . . . . A 56 ARG H . 19880 2 555 . 1 1 56 56 ARG HA H 1 4.485 0.020 . . . . . A 56 ARG HA . 19880 2 556 . 1 1 56 56 ARG HB2 H 1 1.801 0.020 . . . . . A 56 ARG HB2 . 19880 2 557 . 1 1 56 56 ARG HB3 H 1 1.662 0.020 . . . . . A 56 ARG HB3 . 19880 2 558 . 1 1 56 56 ARG HG2 H 1 1.680 0.020 . . . . . A 56 ARG HG2 . 19880 2 559 . 1 1 56 56 ARG HG3 H 1 1.576 0.020 . . . . . A 56 ARG HG3 . 19880 2 560 . 1 1 56 56 ARG HD2 H 1 3.100 0.020 . . . . . A 56 ARG HD2 . 19880 2 561 . 1 1 56 56 ARG HD3 H 1 3.100 0.020 . . . . . A 56 ARG HD3 . 19880 2 562 . 1 1 56 56 ARG HE H 1 7.149 0.020 . . . . . A 56 ARG HE . 19880 2 563 . 1 1 56 56 ARG CA C 13 56.121 0.300 . . . . . A 56 ARG CA . 19880 2 564 . 1 1 56 56 ARG CB C 13 30.539 0.300 . . . . . A 56 ARG CB . 19880 2 565 . 1 1 56 56 ARG CG C 13 27.355 0.300 . . . . . A 56 ARG CG . 19880 2 566 . 1 1 56 56 ARG CD C 13 42.891 0.300 . . . . . A 56 ARG CD . 19880 2 567 . 1 1 56 56 ARG N N 15 117.204 0.300 . . . . . A 56 ARG N . 19880 2 568 . 1 1 56 56 ARG NE N 15 84.459 0.300 . . . . . A 56 ARG NE . 19880 2 569 . 1 1 57 57 CYS H H 1 7.776 0.020 . . . . . A 57 CYS H . 19880 2 570 . 1 1 57 57 CYS HA H 1 4.397 0.020 . . . . . A 57 CYS HA . 19880 2 571 . 1 1 57 57 CYS HB2 H 1 3.035 0.020 . . . . . A 57 CYS HB2 . 19880 2 572 . 1 1 57 57 CYS HB3 H 1 3.144 0.020 . . . . . A 57 CYS HB3 . 19880 2 573 . 1 1 57 57 CYS CA C 13 56.590 0.300 . . . . . A 57 CYS CA . 19880 2 574 . 1 1 57 57 CYS CB C 13 47.191 0.300 . . . . . A 57 CYS CB . 19880 2 575 . 1 1 57 57 CYS N N 15 123.982 0.300 . . . . . A 57 CYS N . 19880 2 stop_ save_ save_1H _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 1H _Assigned_chem_shift_list.Entry_ID 19880 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 3 '2D 1H-1H TOCSY' . . . 19880 3 4 '2D DQF-COSY' . . . 19880 3 5 '2D 1H-1H NOESY' . . . 19880 3 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 PCA CA C 13 59.693 0.300 . . . . . A 1 PCA CA . 19880 3 2 . 1 1 1 1 PCA CB C 13 28.065 0.300 . . . . . A 1 PCA CB . 19880 3 3 . 1 1 1 1 PCA CG C 13 32.002 0.300 . . . . . A 1 PCA CG . 19880 3 4 . 1 1 1 1 PCA H H 1 7.887 0.020 . . . . . A 1 PCA H . 19880 3 5 . 1 1 1 1 PCA HA H 1 4.282 0.020 . . . . . A 1 PCA HA . 19880 3 6 . 1 1 1 1 PCA HB2 H 1 1.997 0.020 . . . . . A 1 PCA HB2 . 19880 3 7 . 1 1 1 1 PCA HB3 H 1 2.471 0.020 . . . . . A 1 PCA HB3 . 19880 3 8 . 1 1 1 1 PCA N N 15 125.290 0.300 . . . . . A 1 PCA N . 19880 3 9 . 1 1 1 1 PCA HG2 H 1 2.320 0.020 . . . . . A 1 PCA QG . 19880 3 10 . 1 1 1 1 PCA HG3 H 1 2.320 0.020 . . . . . A 1 PCA QG . 19880 3 11 . 1 1 2 2 ASN H H 1 8.648 0.020 . . . . . A 2 ASN H . 19880 3 12 . 1 1 2 2 ASN HA H 1 4.761 0.020 . . . . . A 2 ASN HA . 19880 3 13 . 1 1 2 2 ASN HB2 H 1 2.771 0.020 . . . . . A 2 ASN HB2 . 19880 3 14 . 1 1 2 2 ASN HB3 H 1 2.640 0.020 . . . . . A 2 ASN HB3 . 19880 3 15 . 1 1 2 2 ASN HD21 H 1 7.554 0.020 . . . . . A 2 ASN HD21 . 19880 3 16 . 1 1 2 2 ASN HD22 H 1 6.870 0.020 . . . . . A 2 ASN HD22 . 19880 3 17 . 1 1 2 2 ASN CA C 13 52.630 0.300 . . . . . A 2 ASN CA . 19880 3 18 . 1 1 2 2 ASN CB C 13 38.266 0.300 . . . . . A 2 ASN CB . 19880 3 19 . 1 1 2 2 ASN N N 15 120.329 0.300 . . . . . A 2 ASN N . 19880 3 20 . 1 1 2 2 ASN ND2 N 15 113.032 0.300 . . . . . A 2 ASN ND2 . 19880 3 21 . 1 1 3 3 CYS H H 1 7.950 0.020 . . . . . A 3 CYS H . 19880 3 22 . 1 1 3 3 CYS HA H 1 4.820 0.020 . . . . . A 3 CYS HA . 19880 3 23 . 1 1 3 3 CYS HB2 H 1 3.004 0.020 . . . . . A 3 CYS HB2 . 19880 3 24 . 1 1 3 3 CYS HB3 H 1 3.048 0.020 . . . . . A 3 CYS HB3 . 19880 3 25 . 1 1 3 3 CYS CA C 13 52.700 0.300 . . . . . A 3 CYS CA . 19880 3 26 . 1 1 3 3 CYS CB C 13 46.651 0.300 . . . . . A 3 CYS CB . 19880 3 27 . 1 1 3 3 CYS N N 15 117.561 0.300 . . . . . A 3 CYS N . 19880 3 28 . 1 1 4 4 PRO HA H 1 4.505 0.020 . . . . . A 4 PRO HA . 19880 3 29 . 1 1 4 4 PRO HB2 H 1 2.258 0.020 . . . . . A 4 PRO HB2 . 19880 3 30 . 1 1 4 4 PRO HB3 H 1 1.733 0.020 . . . . . A 4 PRO HB3 . 19880 3 31 . 1 1 4 4 PRO HG2 H 1 2.075 0.020 . . . . . A 4 PRO HG2 . 19880 3 32 . 1 1 4 4 PRO HG3 H 1 2.031 0.020 . . . . . A 4 PRO HG3 . 19880 3 33 . 1 1 4 4 PRO HD2 H 1 3.992 0.020 . . . . . A 4 PRO HD2 . 19880 3 34 . 1 1 4 4 PRO HD3 H 1 3.605 0.020 . . . . . A 4 PRO HD3 . 19880 3 35 . 1 1 4 4 PRO CA C 13 63.730 0.300 . . . . . A 4 PRO CA . 19880 3 36 . 1 1 4 4 PRO CB C 13 33.299 0.300 . . . . . A 4 PRO CB . 19880 3 37 . 1 1 4 4 PRO CG C 13 27.361 0.300 . . . . . A 4 PRO CG . 19880 3 38 . 1 1 4 4 PRO CD C 13 51.069 0.300 . . . . . A 4 PRO CD . 19880 3 39 . 1 1 5 5 THR H H 1 8.529 0.020 . . . . . A 5 THR H . 19880 3 40 . 1 1 5 5 THR HA H 1 4.814 0.020 . . . . . A 5 THR HA . 19880 3 41 . 1 1 5 5 THR HB H 1 3.917 0.020 . . . . . A 5 THR HB . 19880 3 42 . 1 1 5 5 THR HG21 H 1 1.108 0.020 . . . . . A 5 THR HG21 . 19880 3 43 . 1 1 5 5 THR HG22 H 1 1.108 0.020 . . . . . A 5 THR HG22 . 19880 3 44 . 1 1 5 5 THR HG23 H 1 1.108 0.020 . . . . . A 5 THR HG23 . 19880 3 45 . 1 1 5 5 THR CA C 13 61.618 0.300 . . . . . A 5 THR CA . 19880 3 46 . 1 1 5 5 THR CB C 13 70.257 0.300 . . . . . A 5 THR CB . 19880 3 47 . 1 1 5 5 THR CG2 C 13 21.027 0.300 . . . . . A 5 THR CG2 . 19880 3 48 . 1 1 5 5 THR N N 15 118.207 0.300 . . . . . A 5 THR N . 19880 3 49 . 1 1 6 6 ARG H H 1 7.663 0.020 . . . . . A 6 ARG H . 19880 3 50 . 1 1 6 6 ARG HA H 1 4.528 0.020 . . . . . A 6 ARG HA . 19880 3 51 . 1 1 6 6 ARG HB2 H 1 1.122 0.020 . . . . . A 6 ARG HB2 . 19880 3 52 . 1 1 6 6 ARG HB3 H 1 0.437 0.020 . . . . . A 6 ARG HB3 . 19880 3 53 . 1 1 6 6 ARG HG2 H 1 1.358 0.020 . . . . . A 6 ARG HG2 . 19880 3 54 . 1 1 6 6 ARG HG3 H 1 1.255 0.020 . . . . . A 6 ARG HG3 . 19880 3 55 . 1 1 6 6 ARG HD2 H 1 3.086 0.020 . . . . . A 6 ARG HD2 . 19880 3 56 . 1 1 6 6 ARG HD3 H 1 3.036 0.020 . . . . . A 6 ARG HD3 . 19880 3 57 . 1 1 6 6 ARG HE H 1 7.281 0.020 . . . . . A 6 ARG HE . 19880 3 58 . 1 1 6 6 ARG CA C 13 54.931 0.300 . . . . . A 6 ARG CA . 19880 3 59 . 1 1 6 6 ARG CB C 13 32.752 0.300 . . . . . A 6 ARG CB . 19880 3 60 . 1 1 6 6 ARG CG C 13 28.575 0.300 . . . . . A 6 ARG CG . 19880 3 61 . 1 1 6 6 ARG CD C 13 43.309 0.300 . . . . . A 6 ARG CD . 19880 3 62 . 1 1 6 6 ARG N N 15 123.211 0.300 . . . . . A 6 ARG N . 19880 3 63 . 1 1 6 6 ARG NE N 15 85.585 0.300 . . . . . A 6 ARG NE . 19880 3 64 . 1 1 7 7 ARG H H 1 8.450 0.020 . . . . . A 7 ARG H . 19880 3 65 . 1 1 7 7 ARG HA H 1 4.666 0.020 . . . . . A 7 ARG HA . 19880 3 66 . 1 1 7 7 ARG HB2 H 1 1.760 0.020 . . . . . A 7 ARG HB2 . 19880 3 67 . 1 1 7 7 ARG HB3 H 1 1.563 0.020 . . . . . A 7 ARG HB3 . 19880 3 68 . 1 1 7 7 ARG HG2 H 1 1.487 0.020 . . . . . A 7 ARG HG2 . 19880 3 69 . 1 1 7 7 ARG HG3 H 1 1.405 0.020 . . . . . A 7 ARG HG3 . 19880 3 70 . 1 1 7 7 ARG HD2 H 1 3.103 0.020 . . . . . A 7 ARG HD2 . 19880 3 71 . 1 1 7 7 ARG HD3 H 1 3.065 0.020 . . . . . A 7 ARG HD3 . 19880 3 72 . 1 1 7 7 ARG HE H 1 7.707 0.020 . . . . . A 7 ARG HE . 19880 3 73 . 1 1 7 7 ARG CA C 13 54.415 0.300 . . . . . A 7 ARG CA . 19880 3 74 . 1 1 7 7 ARG CB C 13 32.673 0.300 . . . . . A 7 ARG CB . 19880 3 75 . 1 1 7 7 ARG CG C 13 26.698 0.300 . . . . . A 7 ARG CG . 19880 3 76 . 1 1 7 7 ARG CD C 13 42.612 0.300 . . . . . A 7 ARG CD . 19880 3 77 . 1 1 7 7 ARG N N 15 121.558 0.300 . . . . . A 7 ARG N . 19880 3 78 . 1 1 7 7 ARG NE N 15 84.680 0.300 . . . . . A 7 ARG NE . 19880 3 79 . 1 1 8 8 GLY H H 1 9.384 0.020 . . . . . A 8 GLY H . 19880 3 80 . 1 1 8 8 GLY HA3 H 1 3.912 0.020 . . . . . A 8 GLY HA3 . 19880 3 81 . 1 1 8 8 GLY CA C 13 46.653 0.300 . . . . . A 8 GLY CA . 19880 3 82 . 1 1 8 8 GLY N N 15 111.006 0.300 . . . . . A 8 GLY N . 19880 3 83 . 1 1 9 9 LEU H H 1 8.221 0.020 . . . . . A 9 LEU H . 19880 3 84 . 1 1 9 9 LEU HA H 1 3.880 0.020 . . . . . A 9 LEU HA . 19880 3 85 . 1 1 9 9 LEU HB2 H 1 1.546 0.020 . . . . . A 9 LEU HB2 . 19880 3 86 . 1 1 9 9 LEU HB3 H 1 0.959 0.020 . . . . . A 9 LEU HB3 . 19880 3 87 . 1 1 9 9 LEU HG H 1 1.117 0.020 . . . . . A 9 LEU HG . 19880 3 88 . 1 1 9 9 LEU HD11 H 1 0.529 0.020 . . . . . A 9 LEU HD11 . 19880 3 89 . 1 1 9 9 LEU HD12 H 1 0.529 0.020 . . . . . A 9 LEU HD12 . 19880 3 90 . 1 1 9 9 LEU HD13 H 1 0.529 0.020 . . . . . A 9 LEU HD13 . 19880 3 91 . 1 1 9 9 LEU HD21 H 1 0.444 0.020 . . . . . A 9 LEU HD21 . 19880 3 92 . 1 1 9 9 LEU HD22 H 1 0.444 0.020 . . . . . A 9 LEU HD22 . 19880 3 93 . 1 1 9 9 LEU HD23 H 1 0.444 0.020 . . . . . A 9 LEU HD23 . 19880 3 94 . 1 1 9 9 LEU CA C 13 57.754 0.300 . . . . . A 9 LEU CA . 19880 3 95 . 1 1 9 9 LEU CB C 13 42.770 0.300 . . . . . A 9 LEU CB . 19880 3 96 . 1 1 9 9 LEU CG C 13 26.773 0.300 . . . . . A 9 LEU CG . 19880 3 97 . 1 1 9 9 LEU CD1 C 13 22.657 0.300 . . . . . A 9 LEU CD1 . 19880 3 98 . 1 1 9 9 LEU CD2 C 13 27.242 0.300 . . . . . A 9 LEU CD2 . 19880 3 99 . 1 1 9 9 LEU N N 15 119.202 0.300 . . . . . A 9 LEU N . 19880 3 100 . 1 1 10 10 CYS H H 1 9.286 0.020 . . . . . A 10 CYS H . 19880 3 101 . 1 1 10 10 CYS HA H 1 3.890 0.020 . . . . . A 10 CYS HA . 19880 3 102 . 1 1 10 10 CYS HB2 H 1 3.171 0.020 . . . . . A 10 CYS HB2 . 19880 3 103 . 1 1 10 10 CYS HB3 H 1 2.784 0.020 . . . . . A 10 CYS HB3 . 19880 3 104 . 1 1 10 10 CYS CA C 13 61.378 0.300 . . . . . A 10 CYS CA . 19880 3 105 . 1 1 10 10 CYS CB C 13 42.589 0.300 . . . . . A 10 CYS CB . 19880 3 106 . 1 1 10 10 CYS N N 15 115.050 0.300 . . . . . A 10 CYS N . 19880 3 107 . 1 1 11 11 VAL H H 1 7.315 0.020 . . . . . A 11 VAL H . 19880 3 108 . 1 1 11 11 VAL HA H 1 3.765 0.020 . . . . . A 11 VAL HA . 19880 3 109 . 1 1 11 11 VAL HB H 1 2.092 0.020 . . . . . A 11 VAL HB . 19880 3 110 . 1 1 11 11 VAL HG11 H 1 0.827 0.020 . . . . . A 11 VAL HG11 . 19880 3 111 . 1 1 11 11 VAL HG12 H 1 0.827 0.020 . . . . . A 11 VAL HG12 . 19880 3 112 . 1 1 11 11 VAL HG13 H 1 0.827 0.020 . . . . . A 11 VAL HG13 . 19880 3 113 . 1 1 11 11 VAL HG21 H 1 0.912 0.020 . . . . . A 11 VAL HG21 . 19880 3 114 . 1 1 11 11 VAL HG22 H 1 0.912 0.020 . . . . . A 11 VAL HG22 . 19880 3 115 . 1 1 11 11 VAL HG23 H 1 0.912 0.020 . . . . . A 11 VAL HG23 . 19880 3 116 . 1 1 11 11 VAL CA C 13 64.508 0.300 . . . . . A 11 VAL CA . 19880 3 117 . 1 1 11 11 VAL CB C 13 32.598 0.300 . . . . . A 11 VAL CB . 19880 3 118 . 1 1 11 11 VAL CG1 C 13 21.029 0.300 . . . . . A 11 VAL CG1 . 19880 3 119 . 1 1 11 11 VAL CG2 C 13 21.916 0.300 . . . . . A 11 VAL CG2 . 19880 3 120 . 1 1 11 11 VAL N N 15 117.792 0.300 . . . . . A 11 VAL N . 19880 3 121 . 1 1 12 12 THR H H 1 8.200 0.020 . . . . . A 12 THR H . 19880 3 122 . 1 1 12 12 THR HA H 1 4.044 0.020 . . . . . A 12 THR HA . 19880 3 123 . 1 1 12 12 THR HB H 1 4.124 0.020 . . . . . A 12 THR HB . 19880 3 124 . 1 1 12 12 THR HG21 H 1 1.153 0.020 . . . . . A 12 THR HG21 . 19880 3 125 . 1 1 12 12 THR HG22 H 1 1.153 0.020 . . . . . A 12 THR HG22 . 19880 3 126 . 1 1 12 12 THR HG23 H 1 1.153 0.020 . . . . . A 12 THR HG23 . 19880 3 127 . 1 1 12 12 THR CA C 13 63.575 0.300 . . . . . A 12 THR CA . 19880 3 128 . 1 1 12 12 THR CB C 13 69.400 0.300 . . . . . A 12 THR CB . 19880 3 129 . 1 1 12 12 THR CG2 C 13 21.751 0.300 . . . . . A 12 THR CG2 . 19880 3 130 . 1 1 12 12 THR N N 15 109.816 0.300 . . . . . A 12 THR N . 19880 3 131 . 1 1 13 13 SER H H 1 7.517 0.020 . . . . . A 13 SER H . 19880 3 132 . 1 1 13 13 SER HA H 1 4.607 0.020 . . . . . A 13 SER HA . 19880 3 133 . 1 1 13 13 SER HB2 H 1 3.665 0.020 . . . . . A 13 SER HB2 . 19880 3 134 . 1 1 13 13 SER HB3 H 1 3.598 0.020 . . . . . A 13 SER HB3 . 19880 3 135 . 1 1 13 13 SER CA C 13 59.460 0.300 . . . . . A 13 SER CA . 19880 3 136 . 1 1 13 13 SER CB C 13 64.586 0.300 . . . . . A 13 SER CB . 19880 3 137 . 1 1 13 13 SER N N 15 114.455 0.300 . . . . . A 13 SER N . 19880 3 138 . 1 1 14 14 GLY H H 1 8.382 0.020 . . . . . A 14 GLY H . 19880 3 139 . 1 1 14 14 GLY HA2 H 1 4.466 0.020 . . . . . A 14 GLY HA2 . 19880 3 140 . 1 1 14 14 GLY HA3 H 1 3.901 0.020 . . . . . A 14 GLY HA3 . 19880 3 141 . 1 1 14 14 GLY CA C 13 44.324 0.300 . . . . . A 14 GLY CA . 19880 3 142 . 1 1 14 14 GLY N N 15 109.125 0.300 . . . . . A 14 GLY N . 19880 3 143 . 1 1 15 15 LEU H H 1 8.468 0.020 . . . . . A 15 LEU H . 19880 3 144 . 1 1 15 15 LEU HA H 1 3.936 0.020 . . . . . A 15 LEU HA . 19880 3 145 . 1 1 15 15 LEU HB2 H 1 1.693 0.020 . . . . . A 15 LEU HB2 . 19880 3 146 . 1 1 15 15 LEU HB3 H 1 1.444 0.020 . . . . . A 15 LEU HB3 . 19880 3 147 . 1 1 15 15 LEU HG H 1 1.303 0.020 . . . . . A 15 LEU HG . 19880 3 148 . 1 1 15 15 LEU HD11 H 1 0.856 0.020 . . . . . A 15 LEU HD11 . 19880 3 149 . 1 1 15 15 LEU HD12 H 1 0.856 0.020 . . . . . A 15 LEU HD12 . 19880 3 150 . 1 1 15 15 LEU HD13 H 1 0.856 0.020 . . . . . A 15 LEU HD13 . 19880 3 151 . 1 1 15 15 LEU HD21 H 1 0.766 0.020 . . . . . A 15 LEU HD21 . 19880 3 152 . 1 1 15 15 LEU HD22 H 1 0.766 0.020 . . . . . A 15 LEU HD22 . 19880 3 153 . 1 1 15 15 LEU HD23 H 1 0.766 0.020 . . . . . A 15 LEU HD23 . 19880 3 154 . 1 1 15 15 LEU CA C 13 57.986 0.300 . . . . . A 15 LEU CA . 19880 3 155 . 1 1 15 15 LEU CB C 13 41.526 0.300 . . . . . A 15 LEU CB . 19880 3 156 . 1 1 15 15 LEU CG C 13 27.317 0.300 . . . . . A 15 LEU CG . 19880 3 157 . 1 1 15 15 LEU CD1 C 13 25.765 0.300 . . . . . A 15 LEU CD1 . 19880 3 158 . 1 1 15 15 LEU CD2 C 13 22.851 0.300 . . . . . A 15 LEU CD2 . 19880 3 159 . 1 1 15 15 LEU N N 15 120.782 0.300 . . . . . A 15 LEU N . 19880 3 160 . 1 1 16 16 THR H H 1 8.468 0.020 . . . . . A 16 THR H . 19880 3 161 . 1 1 16 16 THR HA H 1 3.597 0.020 . . . . . A 16 THR HA . 19880 3 162 . 1 1 16 16 THR HB H 1 4.013 0.020 . . . . . A 16 THR HB . 19880 3 163 . 1 1 16 16 THR HG21 H 1 1.069 0.020 . . . . . A 16 THR HG21 . 19880 3 164 . 1 1 16 16 THR HG22 H 1 1.069 0.020 . . . . . A 16 THR HG22 . 19880 3 165 . 1 1 16 16 THR HG23 H 1 1.069 0.020 . . . . . A 16 THR HG23 . 19880 3 166 . 1 1 16 16 THR CA C 13 67.196 0.300 . . . . . A 16 THR CA . 19880 3 167 . 1 1 16 16 THR CB C 13 68.003 0.300 . . . . . A 16 THR CB . 19880 3 168 . 1 1 16 16 THR CG2 C 13 21.841 0.300 . . . . . A 16 THR CG2 . 19880 3 169 . 1 1 16 16 THR N N 15 115.887 0.300 . . . . . A 16 THR N . 19880 3 170 . 1 1 17 17 ALA H H 1 7.609 0.020 . . . . . A 17 ALA H . 19880 3 171 . 1 1 17 17 ALA HA H 1 4.014 0.020 . . . . . A 17 ALA HA . 19880 3 172 . 1 1 17 17 ALA HB1 H 1 1.321 0.020 . . . . . A 17 ALA HB1 . 19880 3 173 . 1 1 17 17 ALA HB2 H 1 1.321 0.020 . . . . . A 17 ALA HB2 . 19880 3 174 . 1 1 17 17 ALA HB3 H 1 1.321 0.020 . . . . . A 17 ALA HB3 . 19880 3 175 . 1 1 17 17 ALA CA C 13 54.841 0.300 . . . . . A 17 ALA CA . 19880 3 176 . 1 1 17 17 ALA CB C 13 18.931 0.300 . . . . . A 17 ALA CB . 19880 3 177 . 1 1 17 17 ALA N N 15 122.643 0.300 . . . . . A 17 ALA N . 19880 3 178 . 1 1 18 18 CYS H H 1 7.645 0.020 . . . . . A 18 CYS H . 19880 3 179 . 1 1 18 18 CYS HA H 1 4.249 0.020 . . . . . A 18 CYS HA . 19880 3 180 . 1 1 18 18 CYS HB2 H 1 2.870 0.020 . . . . . A 18 CYS HB2 . 19880 3 181 . 1 1 18 18 CYS HB3 H 1 2.666 0.020 . . . . . A 18 CYS HB3 . 19880 3 182 . 1 1 18 18 CYS CA C 13 58.453 0.300 . . . . . A 18 CYS CA . 19880 3 183 . 1 1 18 18 CYS CB C 13 37.646 0.300 . . . . . A 18 CYS CB . 19880 3 184 . 1 1 18 18 CYS N N 15 118.252 0.300 . . . . . A 18 CYS N . 19880 3 185 . 1 1 19 19 ARG H H 1 9.074 0.020 . . . . . A 19 ARG H . 19880 3 186 . 1 1 19 19 ARG HA H 1 3.475 0.020 . . . . . A 19 ARG HA . 19880 3 187 . 1 1 19 19 ARG HB2 H 1 1.763 0.020 . . . . . A 19 ARG HB2 . 19880 3 188 . 1 1 19 19 ARG HB3 H 1 1.608 0.020 . . . . . A 19 ARG HB3 . 19880 3 189 . 1 1 19 19 ARG HG2 H 1 1.353 0.020 . . . . . A 19 ARG HG2 . 19880 3 190 . 1 1 19 19 ARG HG3 H 1 1.353 0.020 . . . . . A 19 ARG HG3 . 19880 3 191 . 1 1 19 19 ARG HD2 H 1 3.130 0.020 . . . . . A 19 ARG HD2 . 19880 3 192 . 1 1 19 19 ARG HD3 H 1 3.089 0.020 . . . . . A 19 ARG HD3 . 19880 3 193 . 1 1 19 19 ARG HE H 1 6.966 0.020 . . . . . A 19 ARG HE . 19880 3 194 . 1 1 19 19 ARG CA C 13 60.552 0.300 . . . . . A 19 ARG CA . 19880 3 195 . 1 1 19 19 ARG CB C 13 29.801 0.300 . . . . . A 19 ARG CB . 19880 3 196 . 1 1 19 19 ARG CG C 13 28.713 0.300 . . . . . A 19 ARG CG . 19880 3 197 . 1 1 19 19 ARG CD C 13 43.699 0.300 . . . . . A 19 ARG CD . 19880 3 198 . 1 1 19 19 ARG N N 15 120.422 0.300 . . . . . A 19 ARG N . 19880 3 199 . 1 1 19 19 ARG NE N 15 83.508 0.300 . . . . . A 19 ARG NE . 19880 3 200 . 1 1 20 20 ASN H H 1 8.411 0.020 . . . . . A 20 ASN H . 19880 3 201 . 1 1 20 20 ASN HA H 1 4.212 0.020 . . . . . A 20 ASN HA . 19880 3 202 . 1 1 20 20 ASN HB2 H 1 2.696 0.020 . . . . . A 20 ASN HB2 . 19880 3 203 . 1 1 20 20 ASN HB3 H 1 2.696 0.020 . . . . . A 20 ASN HB3 . 19880 3 204 . 1 1 20 20 ASN HD21 H 1 7.546 0.020 . . . . . A 20 ASN HD21 . 19880 3 205 . 1 1 20 20 ASN HD22 H 1 6.802 0.020 . . . . . A 20 ASN HD22 . 19880 3 206 . 1 1 20 20 ASN CA C 13 55.611 0.300 . . . . . A 20 ASN CA . 19880 3 207 . 1 1 20 20 ASN CB C 13 37.255 0.300 . . . . . A 20 ASN CB . 19880 3 208 . 1 1 20 20 ASN N N 15 117.466 0.300 . . . . . A 20 ASN N . 19880 3 209 . 1 1 20 20 ASN ND2 N 15 111.471 0.300 . . . . . A 20 ASN ND2 . 19880 3 210 . 1 1 21 21 HIS H H 1 7.827 0.020 . . . . . A 21 HIS H . 19880 3 211 . 1 1 21 21 HIS HA H 1 4.174 0.020 . . . . . A 21 HIS HA . 19880 3 212 . 1 1 21 21 HIS HB2 H 1 3.030 0.020 . . . . . A 21 HIS HB2 . 19880 3 213 . 1 1 21 21 HIS HB3 H 1 2.858 0.020 . . . . . A 21 HIS HB3 . 19880 3 214 . 1 1 21 21 HIS HD2 H 1 6.572 0.020 . . . . . A 21 HIS HD2 . 19880 3 215 . 1 1 21 21 HIS HE1 H 1 7.485 0.020 . . . . . A 21 HIS HE1 . 19880 3 216 . 1 1 21 21 HIS CA C 13 59.154 0.300 . . . . . A 21 HIS CA . 19880 3 217 . 1 1 21 21 HIS CB C 13 31.588 0.300 . . . . . A 21 HIS CB . 19880 3 218 . 1 1 21 21 HIS CD2 C 13 118.691 0.300 . . . . . A 21 HIS CD2 . 19880 3 219 . 1 1 21 21 HIS CE1 C 13 137.934 0.300 . . . . . A 21 HIS CE1 . 19880 3 220 . 1 1 21 21 HIS N N 15 120.420 0.300 . . . . . A 21 HIS N . 19880 3 221 . 1 1 22 22 CYS H H 1 8.500 0.020 . . . . . A 22 CYS H . 19880 3 222 . 1 1 22 22 CYS HA H 1 3.159 0.020 . . . . . A 22 CYS HA . 19880 3 223 . 1 1 22 22 CYS HB2 H 1 2.488 0.020 . . . . . A 22 CYS HB2 . 19880 3 224 . 1 1 22 22 CYS HB3 H 1 2.353 0.020 . . . . . A 22 CYS HB3 . 19880 3 225 . 1 1 22 22 CYS CA C 13 58.221 0.300 . . . . . A 22 CYS CA . 19880 3 226 . 1 1 22 22 CYS CB C 13 37.178 0.300 . . . . . A 22 CYS CB . 19880 3 227 . 1 1 22 22 CYS N N 15 117.510 0.300 . . . . . A 22 CYS N . 19880 3 228 . 1 1 23 23 ARG H H 1 7.985 0.020 . . . . . A 23 ARG H . 19880 3 229 . 1 1 23 23 ARG HA H 1 4.667 0.020 . . . . . A 23 ARG HA . 19880 3 230 . 1 1 23 23 ARG HB2 H 1 1.946 0.020 . . . . . A 23 ARG HB2 . 19880 3 231 . 1 1 23 23 ARG HB3 H 1 1.592 0.020 . . . . . A 23 ARG HB3 . 19880 3 232 . 1 1 23 23 ARG HG2 H 1 1.494 0.020 . . . . . A 23 ARG HG2 . 19880 3 233 . 1 1 23 23 ARG HG3 H 1 1.379 0.020 . . . . . A 23 ARG HG3 . 19880 3 234 . 1 1 23 23 ARG HD2 H 1 3.004 0.020 . . . . . A 23 ARG HD2 . 19880 3 235 . 1 1 23 23 ARG HD3 H 1 2.938 0.020 . . . . . A 23 ARG HD3 . 19880 3 236 . 1 1 23 23 ARG HE H 1 6.676 0.020 . . . . . A 23 ARG HE . 19880 3 237 . 1 1 23 23 ARG CA C 13 57.028 0.300 . . . . . A 23 ARG CA . 19880 3 238 . 1 1 23 23 ARG CB C 13 30.655 0.300 . . . . . A 23 ARG CB . 19880 3 239 . 1 1 23 23 ARG CG C 13 27.939 0.300 . . . . . A 23 ARG CG . 19880 3 240 . 1 1 23 23 ARG CD C 13 43.732 0.300 . . . . . A 23 ARG CD . 19880 3 241 . 1 1 23 23 ARG N N 15 116.564 0.300 . . . . . A 23 ARG N . 19880 3 242 . 1 1 23 23 ARG NE N 15 83.674 0.300 . . . . . A 23 ARG NE . 19880 3 243 . 1 1 24 24 SER H H 1 7.430 0.020 . . . . . A 24 SER H . 19880 3 244 . 1 1 24 24 SER HA H 1 4.552 0.020 . . . . . A 24 SER HA . 19880 3 245 . 1 1 24 24 SER HB2 H 1 3.980 0.020 . . . . . A 24 SER HB2 . 19880 3 246 . 1 1 24 24 SER HB3 H 1 3.980 0.020 . . . . . A 24 SER HB3 . 19880 3 247 . 1 1 24 24 SER CA C 13 57.592 0.300 . . . . . A 24 SER CA . 19880 3 248 . 1 1 24 24 SER CB C 13 65.284 0.300 . . . . . A 24 SER CB . 19880 3 249 . 1 1 24 24 SER N N 15 116.727 0.300 . . . . . A 24 SER N . 19880 3 250 . 1 1 25 25 CYS H H 1 8.992 0.020 . . . . . A 25 CYS H . 19880 3 251 . 1 1 25 25 CYS HA H 1 4.636 0.020 . . . . . A 25 CYS HA . 19880 3 252 . 1 1 25 25 CYS HB2 H 1 2.949 0.020 . . . . . A 25 CYS HB2 . 19880 3 253 . 1 1 25 25 CYS HB3 H 1 2.808 0.020 . . . . . A 25 CYS HB3 . 19880 3 254 . 1 1 25 25 CYS CA C 13 56.614 0.300 . . . . . A 25 CYS CA . 19880 3 255 . 1 1 25 25 CYS CB C 13 39.273 0.300 . . . . . A 25 CYS CB . 19880 3 256 . 1 1 25 25 CYS N N 15 121.909 0.300 . . . . . A 25 CYS N . 19880 3 257 . 1 1 26 26 HIS H H 1 9.256 0.020 . . . . . A 26 HIS H . 19880 3 258 . 1 1 26 26 HIS HA H 1 4.952 0.020 . . . . . A 26 HIS HA . 19880 3 259 . 1 1 26 26 HIS HB2 H 1 3.068 0.020 . . . . . A 26 HIS HB2 . 19880 3 260 . 1 1 26 26 HIS HB3 H 1 2.576 0.020 . . . . . A 26 HIS HB3 . 19880 3 261 . 1 1 26 26 HIS HD2 H 1 6.858 0.020 . . . . . A 26 HIS HD2 . 19880 3 262 . 1 1 26 26 HIS HE1 H 1 8.304 0.020 . . . . . A 26 HIS HE1 . 19880 3 263 . 1 1 26 26 HIS HE2 H 1 12.811 0.020 . . . . . A 26 HIS HE2 . 19880 3 264 . 1 1 26 26 HIS CA C 13 54.722 0.300 . . . . . A 26 HIS CA . 19880 3 265 . 1 1 26 26 HIS CB C 13 32.100 0.300 . . . . . A 26 HIS CB . 19880 3 266 . 1 1 26 26 HIS CD2 C 13 119.631 0.300 . . . . . A 26 HIS CD2 . 19880 3 267 . 1 1 26 26 HIS CE1 C 13 134.996 0.300 . . . . . A 26 HIS CE1 . 19880 3 268 . 1 1 26 26 HIS N N 15 126.609 0.300 . . . . . A 26 HIS N . 19880 3 269 . 1 1 26 26 HIS NE2 N 15 178.216 0.300 . . . . . A 26 HIS NE2 . 19880 3 270 . 1 1 27 27 ARG H H 1 8.312 0.020 . . . . . A 27 ARG H . 19880 3 271 . 1 1 27 27 ARG HA H 1 4.022 0.020 . . . . . A 27 ARG HA . 19880 3 272 . 1 1 27 27 ARG HB2 H 1 1.874 0.020 . . . . . A 27 ARG HB2 . 19880 3 273 . 1 1 27 27 ARG HB3 H 1 1.461 0.020 . . . . . A 27 ARG HB3 . 19880 3 274 . 1 1 27 27 ARG HG2 H 1 1.619 0.020 . . . . . A 27 ARG HG2 . 19880 3 275 . 1 1 27 27 ARG HG3 H 1 1.485 0.020 . . . . . A 27 ARG HG3 . 19880 3 276 . 1 1 27 27 ARG HD2 H 1 3.034 0.020 . . . . . A 27 ARG HD2 . 19880 3 277 . 1 1 27 27 ARG HD3 H 1 3.034 0.020 . . . . . A 27 ARG HD3 . 19880 3 278 . 1 1 27 27 ARG HE H 1 7.062 0.020 . . . . . A 27 ARG HE . 19880 3 279 . 1 1 27 27 ARG CA C 13 57.477 0.300 . . . . . A 27 ARG CA . 19880 3 280 . 1 1 27 27 ARG CB C 13 29.880 0.300 . . . . . A 27 ARG CB . 19880 3 281 . 1 1 27 27 ARG CG C 13 26.774 0.300 . . . . . A 27 ARG CG . 19880 3 282 . 1 1 27 27 ARG CD C 13 42.692 0.300 . . . . . A 27 ARG CD . 19880 3 283 . 1 1 27 27 ARG N N 15 122.033 0.300 . . . . . A 27 ARG N . 19880 3 284 . 1 1 27 27 ARG NE N 15 84.548 0.300 . . . . . A 27 ARG NE . 19880 3 285 . 1 1 28 28 GLY H H 1 8.494 0.020 . . . . . A 28 GLY H . 19880 3 286 . 1 1 28 28 GLY HA2 H 1 4.674 0.020 . . . . . A 28 GLY HA2 . 19880 3 287 . 1 1 28 28 GLY HA3 H 1 3.639 0.020 . . . . . A 28 GLY HA3 . 19880 3 288 . 1 1 28 28 GLY CA C 13 43.972 0.300 . . . . . A 28 GLY CA . 19880 3 289 . 1 1 28 28 GLY N N 15 119.213 0.300 . . . . . A 28 GLY N . 19880 3 290 . 1 1 29 29 ASP H H 1 8.633 0.020 . . . . . A 29 ASP H . 19880 3 291 . 1 1 29 29 ASP HA H 1 4.264 0.020 . . . . . A 29 ASP HA . 19880 3 292 . 1 1 29 29 ASP HB2 H 1 2.670 0.020 . . . . . A 29 ASP HB2 . 19880 3 293 . 1 1 29 29 ASP HB3 H 1 2.566 0.020 . . . . . A 29 ASP HB3 . 19880 3 294 . 1 1 29 29 ASP CA C 13 57.446 0.300 . . . . . A 29 ASP CA . 19880 3 295 . 1 1 29 29 ASP CB C 13 40.438 0.300 . . . . . A 29 ASP CB . 19880 3 296 . 1 1 29 29 ASP N N 15 121.258 0.300 . . . . . A 29 ASP N . 19880 3 297 . 1 1 30 30 VAL H H 1 8.031 0.020 . . . . . A 30 VAL H . 19880 3 298 . 1 1 30 30 VAL HA H 1 4.223 0.020 . . . . . A 30 VAL HA . 19880 3 299 . 1 1 30 30 VAL HB H 1 2.100 0.020 . . . . . A 30 VAL HB . 19880 3 300 . 1 1 30 30 VAL HG11 H 1 0.697 0.020 . . . . . A 30 VAL HG11 . 19880 3 301 . 1 1 30 30 VAL HG12 H 1 0.697 0.020 . . . . . A 30 VAL HG12 . 19880 3 302 . 1 1 30 30 VAL HG13 H 1 0.697 0.020 . . . . . A 30 VAL HG13 . 19880 3 303 . 1 1 30 30 VAL HG21 H 1 0.777 0.020 . . . . . A 30 VAL HG21 . 19880 3 304 . 1 1 30 30 VAL HG22 H 1 0.777 0.020 . . . . . A 30 VAL HG22 . 19880 3 305 . 1 1 30 30 VAL HG23 H 1 0.777 0.020 . . . . . A 30 VAL HG23 . 19880 3 306 . 1 1 30 30 VAL CA C 13 61.407 0.300 . . . . . A 30 VAL CA . 19880 3 307 . 1 1 30 30 VAL CB C 13 32.905 0.300 . . . . . A 30 VAL CB . 19880 3 308 . 1 1 30 30 VAL CG1 C 13 19.476 0.300 . . . . . A 30 VAL CG1 . 19880 3 309 . 1 1 30 30 VAL CG2 C 13 21.104 0.300 . . . . . A 30 VAL CG2 . 19880 3 310 . 1 1 30 30 VAL N N 15 112.703 0.300 . . . . . A 30 VAL N . 19880 3 311 . 1 1 31 31 GLY H H 1 7.517 0.020 . . . . . A 31 GLY H . 19880 3 312 . 1 1 31 31 GLY HA2 H 1 4.049 0.020 . . . . . A 31 GLY HA2 . 19880 3 313 . 1 1 31 31 GLY HA3 H 1 3.667 0.020 . . . . . A 31 GLY HA3 . 19880 3 314 . 1 1 31 31 GLY CA C 13 44.366 0.300 . . . . . A 31 GLY CA . 19880 3 315 . 1 1 31 31 GLY N N 15 109.481 0.300 . . . . . A 31 GLY N . 19880 3 316 . 1 1 32 32 CYS H H 1 8.554 0.020 . . . . . A 32 CYS H . 19880 3 317 . 1 1 32 32 CYS HA H 1 4.938 0.020 . . . . . A 32 CYS HA . 19880 3 318 . 1 1 32 32 CYS HB2 H 1 2.838 0.020 . . . . . A 32 CYS HB2 . 19880 3 319 . 1 1 32 32 CYS HB3 H 1 2.838 0.020 . . . . . A 32 CYS HB3 . 19880 3 320 . 1 1 32 32 CYS CA C 13 54.181 0.300 . . . . . A 32 CYS CA . 19880 3 321 . 1 1 32 32 CYS CB C 13 41.296 0.300 . . . . . A 32 CYS CB . 19880 3 322 . 1 1 32 32 CYS N N 15 121.673 0.300 . . . . . A 32 CYS N . 19880 3 323 . 1 1 33 33 VAL H H 1 9.025 0.020 . . . . . A 33 VAL H . 19880 3 324 . 1 1 33 33 VAL HA H 1 4.795 0.020 . . . . . A 33 VAL HA . 19880 3 325 . 1 1 33 33 VAL HB H 1 1.612 0.020 . . . . . A 33 VAL HB . 19880 3 326 . 1 1 33 33 VAL HG11 H 1 0.316 0.020 . . . . . A 33 VAL HG11 . 19880 3 327 . 1 1 33 33 VAL HG12 H 1 0.316 0.020 . . . . . A 33 VAL HG12 . 19880 3 328 . 1 1 33 33 VAL HG13 H 1 0.316 0.020 . . . . . A 33 VAL HG13 . 19880 3 329 . 1 1 33 33 VAL HG21 H 1 0.549 0.020 . . . . . A 33 VAL HG21 . 19880 3 330 . 1 1 33 33 VAL HG22 H 1 0.549 0.020 . . . . . A 33 VAL HG22 . 19880 3 331 . 1 1 33 33 VAL HG23 H 1 0.549 0.020 . . . . . A 33 VAL HG23 . 19880 3 332 . 1 1 33 33 VAL CA C 13 59.311 0.300 . . . . . A 33 VAL CA . 19880 3 333 . 1 1 33 33 VAL CB C 13 36.480 0.300 . . . . . A 33 VAL CB . 19880 3 334 . 1 1 33 33 VAL CG1 C 13 17.690 0.300 . . . . . A 33 VAL CG1 . 19880 3 335 . 1 1 33 33 VAL CG2 C 13 22.504 0.300 . . . . . A 33 VAL CG2 . 19880 3 336 . 1 1 33 33 VAL N N 15 119.401 0.300 . . . . . A 33 VAL N . 19880 3 337 . 1 1 34 34 ARG H H 1 8.347 0.020 . . . . . A 34 ARG H . 19880 3 338 . 1 1 34 34 ARG HA H 1 4.699 0.020 . . . . . A 34 ARG HA . 19880 3 339 . 1 1 34 34 ARG HB2 H 1 1.484 0.020 . . . . . A 34 ARG HB2 . 19880 3 340 . 1 1 34 34 ARG HB3 H 1 1.484 0.020 . . . . . A 34 ARG HB3 . 19880 3 341 . 1 1 34 34 ARG HG2 H 1 1.441 0.020 . . . . . A 34 ARG HG2 . 19880 3 342 . 1 1 34 34 ARG HG3 H 1 1.261 0.020 . . . . . A 34 ARG HG3 . 19880 3 343 . 1 1 34 34 ARG HD2 H 1 3.070 0.020 . . . . . A 34 ARG HD2 . 19880 3 344 . 1 1 34 34 ARG HD3 H 1 3.070 0.020 . . . . . A 34 ARG HD3 . 19880 3 345 . 1 1 34 34 ARG HE H 1 7.186 0.020 . . . . . A 34 ARG HE . 19880 3 346 . 1 1 34 34 ARG CA C 13 55.192 0.300 . . . . . A 34 ARG CA . 19880 3 347 . 1 1 34 34 ARG CB C 13 33.138 0.300 . . . . . A 34 ARG CB . 19880 3 348 . 1 1 34 34 ARG CG C 13 27.205 0.300 . . . . . A 34 ARG CG . 19880 3 349 . 1 1 34 34 ARG CD C 13 43.821 0.300 . . . . . A 34 ARG CD . 19880 3 350 . 1 1 34 34 ARG N N 15 120.394 0.300 . . . . . A 34 ARG N . 19880 3 351 . 1 1 34 34 ARG NE N 15 84.450 0.300 . . . . . A 34 ARG NE . 19880 3 352 . 1 1 35 35 CYS H H 1 8.557 0.020 . . . . . A 35 CYS H . 19880 3 353 . 1 1 35 35 CYS HA H 1 6.036 0.020 . . . . . A 35 CYS HA . 19880 3 354 . 1 1 35 35 CYS HB2 H 1 3.485 0.020 . . . . . A 35 CYS HB2 . 19880 3 355 . 1 1 35 35 CYS HB3 H 1 2.602 0.020 . . . . . A 35 CYS HB3 . 19880 3 356 . 1 1 35 35 CYS CA C 13 55.277 0.300 . . . . . A 35 CYS CA . 19880 3 357 . 1 1 35 35 CYS CB C 13 44.553 0.300 . . . . . A 35 CYS CB . 19880 3 358 . 1 1 35 35 CYS N N 15 118.098 0.300 . . . . . A 35 CYS N . 19880 3 359 . 1 1 36 36 SER H H 1 7.680 0.020 . . . . . A 36 SER H . 19880 3 360 . 1 1 36 36 SER HA H 1 4.326 0.020 . . . . . A 36 SER HA . 19880 3 361 . 1 1 36 36 SER HB2 H 1 3.723 0.020 . . . . . A 36 SER HB2 . 19880 3 362 . 1 1 36 36 SER HB3 H 1 3.684 0.020 . . . . . A 36 SER HB3 . 19880 3 363 . 1 1 36 36 SER CA C 13 60.945 0.300 . . . . . A 36 SER CA . 19880 3 364 . 1 1 36 36 SER CB C 13 64.743 0.300 . . . . . A 36 SER CB . 19880 3 365 . 1 1 36 36 SER N N 15 114.009 0.300 . . . . . A 36 SER N . 19880 3 366 . 1 1 37 37 ASN H H 1 7.755 0.020 . . . . . A 37 ASN H . 19880 3 367 . 1 1 37 37 ASN HA H 1 4.408 0.020 . . . . . A 37 ASN HA . 19880 3 368 . 1 1 37 37 ASN HB2 H 1 2.715 0.020 . . . . . A 37 ASN HB2 . 19880 3 369 . 1 1 37 37 ASN HB3 H 1 2.494 0.020 . . . . . A 37 ASN HB3 . 19880 3 370 . 1 1 37 37 ASN HD21 H 1 7.734 0.020 . . . . . A 37 ASN HD21 . 19880 3 371 . 1 1 37 37 ASN HD22 H 1 7.123 0.020 . . . . . A 37 ASN HD22 . 19880 3 372 . 1 1 37 37 ASN CA C 13 52.086 0.300 . . . . . A 37 ASN CA . 19880 3 373 . 1 1 37 37 ASN CB C 13 41.374 0.300 . . . . . A 37 ASN CB . 19880 3 374 . 1 1 37 37 ASN N N 15 117.050 0.300 . . . . . A 37 ASN N . 19880 3 375 . 1 1 37 37 ASN ND2 N 15 113.245 0.300 . . . . . A 37 ASN ND2 . 19880 3 376 . 1 1 38 38 ALA H H 1 9.325 0.020 . . . . . A 38 ALA H . 19880 3 377 . 1 1 38 38 ALA HA H 1 5.162 0.020 . . . . . A 38 ALA HA . 19880 3 378 . 1 1 38 38 ALA HB1 H 1 1.237 0.020 . . . . . A 38 ALA HB1 . 19880 3 379 . 1 1 38 38 ALA HB2 H 1 1.237 0.020 . . . . . A 38 ALA HB2 . 19880 3 380 . 1 1 38 38 ALA HB3 H 1 1.237 0.020 . . . . . A 38 ALA HB3 . 19880 3 381 . 1 1 38 38 ALA CA C 13 52.134 0.300 . . . . . A 38 ALA CA . 19880 3 382 . 1 1 38 38 ALA CB C 13 19.193 0.300 . . . . . A 38 ALA CB . 19880 3 383 . 1 1 38 38 ALA N N 15 123.735 0.300 . . . . . A 38 ALA N . 19880 3 384 . 1 1 39 39 GLN H H 1 8.745 0.020 . . . . . A 39 GLN H . 19880 3 385 . 1 1 39 39 GLN HA H 1 4.313 0.020 . . . . . A 39 GLN HA . 19880 3 386 . 1 1 39 39 GLN HB2 H 1 2.217 0.020 . . . . . A 39 GLN HB2 . 19880 3 387 . 1 1 39 39 GLN HB3 H 1 2.106 0.020 . . . . . A 39 GLN HB3 . 19880 3 388 . 1 1 39 39 GLN HG2 H 1 1.799 0.020 . . . . . A 39 GLN HG2 . 19880 3 389 . 1 1 39 39 GLN HG3 H 1 1.584 0.020 . . . . . A 39 GLN HG3 . 19880 3 390 . 1 1 39 39 GLN HE21 H 1 7.272 0.020 . . . . . A 39 GLN HE21 . 19880 3 391 . 1 1 39 39 GLN HE22 H 1 6.713 0.020 . . . . . A 39 GLN HE22 . 19880 3 392 . 1 1 39 39 GLN CA C 13 54.749 0.300 . . . . . A 39 GLN CA . 19880 3 393 . 1 1 39 39 GLN CB C 13 33.817 0.300 . . . . . A 39 GLN CB . 19880 3 394 . 1 1 39 39 GLN CG C 13 33.684 0.300 . . . . . A 39 GLN CG . 19880 3 395 . 1 1 39 39 GLN N N 15 116.531 0.300 . . . . . A 39 GLN N . 19880 3 396 . 1 1 39 39 GLN NE2 N 15 110.797 0.300 . . . . . A 39 GLN NE2 . 19880 3 397 . 1 1 40 40 CYS H H 1 8.537 0.020 . . . . . A 40 CYS H . 19880 3 398 . 1 1 40 40 CYS HA H 1 5.549 0.020 . . . . . A 40 CYS HA . 19880 3 399 . 1 1 40 40 CYS HB2 H 1 3.271 0.020 . . . . . A 40 CYS HB2 . 19880 3 400 . 1 1 40 40 CYS HB3 H 1 2.691 0.020 . . . . . A 40 CYS HB3 . 19880 3 401 . 1 1 40 40 CYS CA C 13 54.413 0.300 . . . . . A 40 CYS CA . 19880 3 402 . 1 1 40 40 CYS CB C 13 40.902 0.300 . . . . . A 40 CYS CB . 19880 3 403 . 1 1 40 40 CYS N N 15 122.074 0.300 . . . . . A 40 CYS N . 19880 3 404 . 1 1 41 41 THR H H 1 9.779 0.020 . . . . . A 41 THR H . 19880 3 405 . 1 1 41 41 THR HA H 1 4.641 0.020 . . . . . A 41 THR HA . 19880 3 406 . 1 1 41 41 THR HB H 1 4.254 0.020 . . . . . A 41 THR HB . 19880 3 407 . 1 1 41 41 THR HG21 H 1 1.016 0.020 . . . . . A 41 THR HG21 . 19880 3 408 . 1 1 41 41 THR HG22 H 1 1.016 0.020 . . . . . A 41 THR HG22 . 19880 3 409 . 1 1 41 41 THR HG23 H 1 1.016 0.020 . . . . . A 41 THR HG23 . 19880 3 410 . 1 1 41 41 THR CA C 13 60.550 0.300 . . . . . A 41 THR CA . 19880 3 411 . 1 1 41 41 THR CB C 13 71.033 0.300 . . . . . A 41 THR CB . 19880 3 412 . 1 1 41 41 THR CG2 C 13 21.495 0.300 . . . . . A 41 THR CG2 . 19880 3 413 . 1 1 41 41 THR N N 15 117.753 0.300 . . . . . A 41 THR N . 19880 3 414 . 1 1 42 42 GLY H H 1 8.251 0.020 . . . . . A 42 GLY H . 19880 3 415 . 1 1 42 42 GLY HA2 H 1 4.401 0.020 . . . . . A 42 GLY HA2 . 19880 3 416 . 1 1 42 42 GLY HA3 H 1 3.714 0.020 . . . . . A 42 GLY HA3 . 19880 3 417 . 1 1 42 42 GLY CA C 13 44.015 0.300 . . . . . A 42 GLY CA . 19880 3 418 . 1 1 42 42 GLY N N 15 105.809 0.300 . . . . . A 42 GLY N . 19880 3 419 . 1 1 43 43 PHE H H 1 8.710 0.020 . . . . . A 43 PHE H . 19880 3 420 . 1 1 43 43 PHE HA H 1 4.298 0.020 . . . . . A 43 PHE HA . 19880 3 421 . 1 1 43 43 PHE HB2 H 1 3.095 0.020 . . . . . A 43 PHE HB2 . 19880 3 422 . 1 1 43 43 PHE HB3 H 1 2.837 0.020 . . . . . A 43 PHE HB3 . 19880 3 423 . 1 1 43 43 PHE HD1 H 1 7.171 0.020 . . . . . A 43 PHE HD1 . 19880 3 424 . 1 1 43 43 PHE HD2 H 1 7.171 0.020 . . . . . A 43 PHE HD2 . 19880 3 425 . 1 1 43 43 PHE HE1 H 1 7.264 0.020 . . . . . A 43 PHE HE1 . 19880 3 426 . 1 1 43 43 PHE HE2 H 1 7.264 0.020 . . . . . A 43 PHE HE2 . 19880 3 427 . 1 1 43 43 PHE HZ H 1 7.214 0.020 . . . . . A 43 PHE HZ . 19880 3 428 . 1 1 43 43 PHE CA C 13 60.196 0.300 . . . . . A 43 PHE CA . 19880 3 429 . 1 1 43 43 PHE CB C 13 38.650 0.300 . . . . . A 43 PHE CB . 19880 3 430 . 1 1 43 43 PHE CD1 C 13 131.577 0.300 . . . . . A 43 PHE CD1 . 19880 3 431 . 1 1 43 43 PHE CE1 C 13 131.537 0.300 . . . . . A 43 PHE CE1 . 19880 3 432 . 1 1 43 43 PHE CZ C 13 129.967 0.300 . . . . . A 43 PHE CZ . 19880 3 433 . 1 1 43 43 PHE N N 15 123.293 0.300 . . . . . A 43 PHE N . 19880 3 434 . 1 1 44 44 LEU H H 1 8.734 0.020 . . . . . A 44 LEU H . 19880 3 435 . 1 1 44 44 LEU HA H 1 3.848 0.020 . . . . . A 44 LEU HA . 19880 3 436 . 1 1 44 44 LEU HB2 H 1 1.518 0.020 . . . . . A 44 LEU HB2 . 19880 3 437 . 1 1 44 44 LEU HB3 H 1 1.387 0.020 . . . . . A 44 LEU HB3 . 19880 3 438 . 1 1 44 44 LEU HG H 1 1.239 0.020 . . . . . A 44 LEU HG . 19880 3 439 . 1 1 44 44 LEU HD11 H 1 0.619 0.020 . . . . . A 44 LEU HD11 . 19880 3 440 . 1 1 44 44 LEU HD12 H 1 0.619 0.020 . . . . . A 44 LEU HD12 . 19880 3 441 . 1 1 44 44 LEU HD13 H 1 0.619 0.020 . . . . . A 44 LEU HD13 . 19880 3 442 . 1 1 44 44 LEU HD21 H 1 0.508 0.020 . . . . . A 44 LEU HD21 . 19880 3 443 . 1 1 44 44 LEU HD22 H 1 0.508 0.020 . . . . . A 44 LEU HD22 . 19880 3 444 . 1 1 44 44 LEU HD23 H 1 0.508 0.020 . . . . . A 44 LEU HD23 . 19880 3 445 . 1 1 44 44 LEU CB C 13 40.386 0.300 . . . . . A 44 LEU CB . 19880 3 446 . 1 1 44 44 LEU CG C 13 27.472 0.300 . . . . . A 44 LEU CG . 19880 3 447 . 1 1 44 44 LEU CD1 C 13 25.609 0.300 . . . . . A 44 LEU CD1 . 19880 3 448 . 1 1 44 44 LEU CD2 C 13 22.119 0.300 . . . . . A 44 LEU CD2 . 19880 3 449 . 1 1 44 44 LEU N N 15 120.771 0.300 . . . . . A 44 LEU N . 19880 3 450 . 1 1 45 45 GLY H H 1 7.831 0.020 . . . . . A 45 GLY H . 19880 3 451 . 1 1 45 45 GLY HA2 H 1 3.563 0.020 . . . . . A 45 GLY HA2 . 19880 3 452 . 1 1 45 45 GLY HA3 H 1 3.162 0.020 . . . . . A 45 GLY HA3 . 19880 3 453 . 1 1 45 45 GLY CA C 13 47.311 0.300 . . . . . A 45 GLY CA . 19880 3 454 . 1 1 45 45 GLY N N 15 107.545 0.300 . . . . . A 45 GLY N . 19880 3 455 . 1 1 46 46 THR H H 1 6.820 0.020 . . . . . A 46 THR H . 19880 3 456 . 1 1 46 46 THR HA H 1 3.901 0.020 . . . . . A 46 THR HA . 19880 3 457 . 1 1 46 46 THR HB H 1 4.269 0.020 . . . . . A 46 THR HB . 19880 3 458 . 1 1 46 46 THR HG21 H 1 1.011 0.020 . . . . . A 46 THR HG21 . 19880 3 459 . 1 1 46 46 THR HG22 H 1 1.011 0.020 . . . . . A 46 THR HG22 . 19880 3 460 . 1 1 46 46 THR HG23 H 1 1.011 0.020 . . . . . A 46 THR HG23 . 19880 3 461 . 1 1 46 46 THR CA C 13 62.180 0.300 . . . . . A 46 THR CA . 19880 3 462 . 1 1 46 46 THR CB C 13 70.021 0.300 . . . . . A 46 THR CB . 19880 3 463 . 1 1 46 46 THR CG2 C 13 21.959 0.300 . . . . . A 46 THR CG2 . 19880 3 464 . 1 1 46 46 THR N N 15 104.485 0.300 . . . . . A 46 THR N . 19880 3 465 . 1 1 47 47 THR H H 1 8.745 0.020 . . . . . A 47 THR H . 19880 3 466 . 1 1 47 47 THR HA H 1 4.371 0.020 . . . . . A 47 THR HA . 19880 3 467 . 1 1 47 47 THR HB H 1 3.760 0.020 . . . . . A 47 THR HB . 19880 3 468 . 1 1 47 47 THR HG21 H 1 1.010 0.020 . . . . . A 47 THR HG21 . 19880 3 469 . 1 1 47 47 THR HG22 H 1 1.010 0.020 . . . . . A 47 THR HG22 . 19880 3 470 . 1 1 47 47 THR HG23 H 1 1.010 0.020 . . . . . A 47 THR HG23 . 19880 3 471 . 1 1 47 47 THR CA C 13 62.843 0.300 . . . . . A 47 THR CA . 19880 3 472 . 1 1 47 47 THR CB C 13 70.176 0.300 . . . . . A 47 THR CB . 19880 3 473 . 1 1 47 47 THR CG2 C 13 21.391 0.300 . . . . . A 47 THR CG2 . 19880 3 474 . 1 1 47 47 THR N N 15 123.300 0.300 . . . . . A 47 THR N . 19880 3 475 . 1 1 48 48 CYS H H 1 9.265 0.020 . . . . . A 48 CYS H . 19880 3 476 . 1 1 48 48 CYS HA H 1 4.967 0.020 . . . . . A 48 CYS HA . 19880 3 477 . 1 1 48 48 CYS HB2 H 1 2.998 0.020 . . . . . A 48 CYS HB2 . 19880 3 478 . 1 1 48 48 CYS HB3 H 1 2.921 0.020 . . . . . A 48 CYS HB3 . 19880 3 479 . 1 1 48 48 CYS CA C 13 55.984 0.300 . . . . . A 48 CYS CA . 19880 3 480 . 1 1 48 48 CYS CB C 13 36.282 0.300 . . . . . A 48 CYS CB . 19880 3 481 . 1 1 48 48 CYS N N 15 128.024 0.300 . . . . . A 48 CYS N . 19880 3 482 . 1 1 49 49 THR H H 1 9.174 0.020 . . . . . A 49 THR H . 19880 3 483 . 1 1 49 49 THR HA H 1 4.364 0.020 . . . . . A 49 THR HA . 19880 3 484 . 1 1 49 49 THR HB H 1 3.873 0.020 . . . . . A 49 THR HB . 19880 3 485 . 1 1 49 49 THR HG21 H 1 1.061 0.020 . . . . . A 49 THR HG21 . 19880 3 486 . 1 1 49 49 THR HG22 H 1 1.061 0.020 . . . . . A 49 THR HG22 . 19880 3 487 . 1 1 49 49 THR HG23 H 1 1.061 0.020 . . . . . A 49 THR HG23 . 19880 3 488 . 1 1 49 49 THR CA C 13 61.871 0.300 . . . . . A 49 THR CA . 19880 3 489 . 1 1 49 49 THR CB C 13 69.789 0.300 . . . . . A 49 THR CB . 19880 3 490 . 1 1 49 49 THR CG2 C 13 21.671 0.300 . . . . . A 49 THR CG2 . 19880 3 491 . 1 1 49 49 THR N N 15 131.810 0.300 . . . . . A 49 THR N . 19880 3 492 . 1 1 50 50 CYS H H 1 8.856 0.020 . . . . . A 50 CYS H . 19880 3 493 . 1 1 50 50 CYS HA H 1 5.027 0.020 . . . . . A 50 CYS HA . 19880 3 494 . 1 1 50 50 CYS HB2 H 1 2.879 0.020 . . . . . A 50 CYS HB2 . 19880 3 495 . 1 1 50 50 CYS HB3 H 1 3.157 0.020 . . . . . A 50 CYS HB3 . 19880 3 496 . 1 1 50 50 CYS CA C 13 51.880 0.300 . . . . . A 50 CYS CA . 19880 3 497 . 1 1 50 50 CYS CB C 13 34.934 0.300 . . . . . A 50 CYS CB . 19880 3 498 . 1 1 50 50 CYS N N 15 123.835 0.300 . . . . . A 50 CYS N . 19880 3 499 . 1 1 51 51 ILE H H 1 8.096 0.020 . . . . . A 51 ILE H . 19880 3 500 . 1 1 51 51 ILE HA H 1 4.141 0.020 . . . . . A 51 ILE HA . 19880 3 501 . 1 1 51 51 ILE HB H 1 1.066 0.020 . . . . . A 51 ILE HB . 19880 3 502 . 1 1 51 51 ILE HG12 H 1 1.220 0.020 . . . . . A 51 ILE HG12 . 19880 3 503 . 1 1 51 51 ILE HG13 H 1 1.015 0.020 . . . . . A 51 ILE HG13 . 19880 3 504 . 1 1 51 51 ILE HG21 H 1 1.011 0.020 . . . . . A 51 ILE HG21 . 19880 3 505 . 1 1 51 51 ILE HG22 H 1 1.011 0.020 . . . . . A 51 ILE HG22 . 19880 3 506 . 1 1 51 51 ILE HG23 H 1 1.011 0.020 . . . . . A 51 ILE HG23 . 19880 3 507 . 1 1 51 51 ILE HD11 H 1 0.526 0.020 . . . . . A 51 ILE HD11 . 19880 3 508 . 1 1 51 51 ILE HD12 H 1 0.526 0.020 . . . . . A 51 ILE HD12 . 19880 3 509 . 1 1 51 51 ILE HD13 H 1 0.526 0.020 . . . . . A 51 ILE HD13 . 19880 3 510 . 1 1 51 51 ILE CA C 13 59.619 0.300 . . . . . A 51 ILE CA . 19880 3 511 . 1 1 51 51 ILE CB C 13 39.380 0.300 . . . . . A 51 ILE CB . 19880 3 512 . 1 1 51 51 ILE CG1 C 13 26.813 0.300 . . . . . A 51 ILE CG1 . 19880 3 513 . 1 1 51 51 ILE CG2 C 13 16.136 0.300 . . . . . A 51 ILE CG2 . 19880 3 514 . 1 1 51 51 ILE CD1 C 13 11.167 0.300 . . . . . A 51 ILE CD1 . 19880 3 515 . 1 1 51 51 ILE N N 15 123.986 0.300 . . . . . A 51 ILE N . 19880 3 516 . 1 1 52 52 ASN H H 1 8.329 0.020 . . . . . A 52 ASN H . 19880 3 517 . 1 1 52 52 ASN HA H 1 4.716 0.020 . . . . . A 52 ASN HA . 19880 3 518 . 1 1 52 52 ASN HB2 H 1 2.655 0.020 . . . . . A 52 ASN HB2 . 19880 3 519 . 1 1 52 52 ASN HB3 H 1 2.525 0.020 . . . . . A 52 ASN HB3 . 19880 3 520 . 1 1 52 52 ASN HD21 H 1 7.435 0.020 . . . . . A 52 ASN HD21 . 19880 3 521 . 1 1 52 52 ASN HD22 H 1 6.760 0.020 . . . . . A 52 ASN HD22 . 19880 3 522 . 1 1 52 52 ASN CA C 13 52.891 0.300 . . . . . A 52 ASN CA . 19880 3 523 . 1 1 52 52 ASN CB C 13 37.913 0.300 . . . . . A 52 ASN CB . 19880 3 524 . 1 1 52 52 ASN N N 15 126.122 0.300 . . . . . A 52 ASN N . 19880 3 525 . 1 1 52 52 ASN ND2 N 15 111.646 0.300 . . . . . A 52 ASN ND2 . 19880 3 526 . 1 1 53 53 PRO HA H 1 4.307 0.020 . . . . . A 53 PRO HA . 19880 3 527 . 1 1 53 53 PRO HB2 H 1 2.396 0.020 . . . . . A 53 PRO HB2 . 19880 3 528 . 1 1 53 53 PRO HB3 H 1 1.983 0.020 . . . . . A 53 PRO HB3 . 19880 3 529 . 1 1 53 53 PRO HG2 H 1 1.915 0.020 . . . . . A 53 PRO HG2 . 19880 3 530 . 1 1 53 53 PRO HG3 H 1 1.792 0.020 . . . . . A 53 PRO HG3 . 19880 3 531 . 1 1 53 53 PRO HD2 H 1 3.578 0.020 . . . . . A 53 PRO HD2 . 19880 3 532 . 1 1 53 53 PRO HD3 H 1 3.503 0.020 . . . . . A 53 PRO HD3 . 19880 3 533 . 1 1 53 53 PRO CA C 13 63.033 0.300 . . . . . A 53 PRO CA . 19880 3 534 . 1 1 53 53 PRO CB C 13 35.860 0.300 . . . . . A 53 PRO CB . 19880 3 535 . 1 1 53 53 PRO CG C 13 25.454 0.300 . . . . . A 53 PRO CG . 19880 3 536 . 1 1 53 53 PRO CD C 13 51.623 0.300 . . . . . A 53 PRO CD . 19880 3 537 . 1 1 54 54 CYS H H 1 8.870 0.020 . . . . . A 54 CYS H . 19880 3 538 . 1 1 54 54 CYS HA H 1 5.736 0.020 . . . . . A 54 CYS HA . 19880 3 539 . 1 1 54 54 CYS HB2 H 1 3.068 0.020 . . . . . A 54 CYS HB2 . 19880 3 540 . 1 1 54 54 CYS HB3 H 1 2.647 0.020 . . . . . A 54 CYS HB3 . 19880 3 541 . 1 1 54 54 CYS CA C 13 54.150 0.300 . . . . . A 54 CYS CA . 19880 3 542 . 1 1 54 54 CYS CB C 13 46.154 0.300 . . . . . A 54 CYS CB . 19880 3 543 . 1 1 54 54 CYS N N 15 123.090 0.300 . . . . . A 54 CYS N . 19880 3 544 . 1 1 55 55 PRO HA H 1 4.280 0.020 . . . . . A 55 PRO HA . 19880 3 545 . 1 1 55 55 PRO HB2 H 1 2.151 0.020 . . . . . A 55 PRO HB2 . 19880 3 546 . 1 1 55 55 PRO HB3 H 1 1.879 0.020 . . . . . A 55 PRO HB3 . 19880 3 547 . 1 1 55 55 PRO HG2 H 1 1.875 0.020 . . . . . A 55 PRO HG2 . 19880 3 548 . 1 1 55 55 PRO HG3 H 1 1.772 0.020 . . . . . A 55 PRO HG3 . 19880 3 549 . 1 1 55 55 PRO HD2 H 1 4.219 0.020 . . . . . A 55 PRO HD2 . 19880 3 550 . 1 1 55 55 PRO HD3 H 1 3.014 0.020 . . . . . A 55 PRO HD3 . 19880 3 551 . 1 1 55 55 PRO CA C 13 62.258 0.300 . . . . . A 55 PRO CA . 19880 3 552 . 1 1 55 55 PRO CB C 13 32.450 0.300 . . . . . A 55 PRO CB . 19880 3 553 . 1 1 55 55 PRO CG C 13 27.369 0.300 . . . . . A 55 PRO CG . 19880 3 554 . 1 1 55 55 PRO CD C 13 50.457 0.300 . . . . . A 55 PRO CD . 19880 3 555 . 1 1 56 56 ARG H H 1 7.888 0.020 . . . . . A 56 ARG H . 19880 3 556 . 1 1 56 56 ARG HA H 1 4.485 0.020 . . . . . A 56 ARG HA . 19880 3 557 . 1 1 56 56 ARG HB2 H 1 1.805 0.020 . . . . . A 56 ARG HB2 . 19880 3 558 . 1 1 56 56 ARG HB3 H 1 1.662 0.020 . . . . . A 56 ARG HB3 . 19880 3 559 . 1 1 56 56 ARG HG2 H 1 1.680 0.020 . . . . . A 56 ARG HG2 . 19880 3 560 . 1 1 56 56 ARG HG3 H 1 1.566 0.020 . . . . . A 56 ARG HG3 . 19880 3 561 . 1 1 56 56 ARG HD2 H 1 3.103 0.020 . . . . . A 56 ARG HD2 . 19880 3 562 . 1 1 56 56 ARG HD3 H 1 3.103 0.020 . . . . . A 56 ARG HD3 . 19880 3 563 . 1 1 56 56 ARG HE H 1 7.149 0.020 . . . . . A 56 ARG HE . 19880 3 564 . 1 1 56 56 ARG CA C 13 56.121 0.300 . . . . . A 56 ARG CA . 19880 3 565 . 1 1 56 56 ARG CB C 13 30.539 0.300 . . . . . A 56 ARG CB . 19880 3 566 . 1 1 56 56 ARG CG C 13 27.355 0.300 . . . . . A 56 ARG CG . 19880 3 567 . 1 1 56 56 ARG CD C 13 42.891 0.300 . . . . . A 56 ARG CD . 19880 3 568 . 1 1 56 56 ARG N N 15 117.289 0.300 . . . . . A 56 ARG N . 19880 3 569 . 1 1 56 56 ARG NE N 15 84.459 0.300 . . . . . A 56 ARG NE . 19880 3 570 . 1 1 57 57 CYS H H 1 7.776 0.020 . . . . . A 57 CYS H . 19880 3 571 . 1 1 57 57 CYS HA H 1 4.397 0.020 . . . . . A 57 CYS HA . 19880 3 572 . 1 1 57 57 CYS HB2 H 1 3.051 0.020 . . . . . A 57 CYS HB2 . 19880 3 573 . 1 1 57 57 CYS HB3 H 1 3.156 0.020 . . . . . A 57 CYS HB3 . 19880 3 574 . 1 1 57 57 CYS CA C 13 56.590 0.300 . . . . . A 57 CYS CA . 19880 3 575 . 1 1 57 57 CYS CB C 13 47.191 0.300 . . . . . A 57 CYS CB . 19880 3 576 . 1 1 57 57 CYS N N 15 124.031 0.300 . . . . . A 57 CYS N . 19880 3 stop_ save_ save_2H _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 2H _Assigned_chem_shift_list.Entry_ID 19880 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 10 '2D 1H-1H NOESY' . . . 19880 4 11 '3D HNCO' . . . 19880 4 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 PCA CA C 13 59.693 0.300 . . . . . A 1 PCA CA . 19880 4 2 . 1 1 1 1 PCA CB C 13 28.065 0.300 . . . . . A 1 PCA CB . 19880 4 3 . 1 1 1 1 PCA CG C 13 32.002 0.300 . . . . . A 1 PCA CG . 19880 4 4 . 1 1 1 1 PCA H H 1 7.905 0.020 . . . . . A 1 PCA H . 19880 4 5 . 1 1 1 1 PCA HA H 1 4.282 0.020 . . . . . A 1 PCA HA . 19880 4 6 . 1 1 1 1 PCA HB2 H 1 1.997 0.020 . . . . . A 1 PCA HB2 . 19880 4 7 . 1 1 1 1 PCA HB3 H 1 2.325 0.020 . . . . . A 1 PCA HB3 . 19880 4 8 . 1 1 1 1 PCA N N 15 125.290 0.300 . . . . . A 1 PCA N . 19880 4 9 . 1 1 1 1 PCA HG2 H 1 2.320 0.020 . . . . . A 1 PCA QG . 19880 4 10 . 1 1 1 1 PCA HG3 H 1 2.320 0.020 . . . . . A 1 PCA QG . 19880 4 11 . 1 1 2 2 ASN H H 1 8.664 0.020 . . . . . A 2 ASN H . 19880 4 12 . 1 1 2 2 ASN HA H 1 4.761 0.020 . . . . . A 2 ASN HA . 19880 4 13 . 1 1 2 2 ASN HB2 H 1 2.770 0.020 . . . . . A 2 ASN HB2 . 19880 4 14 . 1 1 2 2 ASN HB3 H 1 2.639 0.020 . . . . . A 2 ASN HB3 . 19880 4 15 . 1 1 2 2 ASN HD21 H 1 7.554 0.020 . . . . . A 2 ASN HD21 . 19880 4 16 . 1 1 2 2 ASN HD22 H 1 6.870 0.020 . . . . . A 2 ASN HD22 . 19880 4 17 . 1 1 2 2 ASN CA C 13 52.630 0.300 . . . . . A 2 ASN CA . 19880 4 18 . 1 1 2 2 ASN CB C 13 38.266 0.300 . . . . . A 2 ASN CB . 19880 4 19 . 1 1 2 2 ASN N N 15 120.329 0.300 . . . . . A 2 ASN N . 19880 4 20 . 1 1 2 2 ASN ND2 N 15 113.032 0.300 . . . . . A 2 ASN ND2 . 19880 4 21 . 1 1 3 3 CYS H H 1 7.950 0.020 . . . . . A 3 CYS H . 19880 4 22 . 1 1 3 3 CYS HA H 1 4.828 0.020 . . . . . A 3 CYS HA . 19880 4 23 . 1 1 3 3 CYS HB2 H 1 3.009 0.020 . . . . . A 3 CYS HB2 . 19880 4 24 . 1 1 3 3 CYS HB3 H 1 3.068 0.020 . . . . . A 3 CYS HB3 . 19880 4 25 . 1 1 3 3 CYS CA C 13 52.700 0.300 . . . . . A 3 CYS CA . 19880 4 26 . 1 1 3 3 CYS CB C 13 46.651 0.300 . . . . . A 3 CYS CB . 19880 4 27 . 1 1 3 3 CYS N N 15 117.561 0.300 . . . . . A 3 CYS N . 19880 4 28 . 1 1 4 4 PRO HA H 1 4.514 0.020 . . . . . A 4 PRO HA . 19880 4 29 . 1 1 4 4 PRO HB2 H 1 2.261 0.020 . . . . . A 4 PRO HB2 . 19880 4 30 . 1 1 4 4 PRO HB3 H 1 1.740 0.020 . . . . . A 4 PRO HB3 . 19880 4 31 . 1 1 4 4 PRO HG2 H 1 2.079 0.020 . . . . . A 4 PRO HG2 . 19880 4 32 . 1 1 4 4 PRO HG3 H 1 2.042 0.020 . . . . . A 4 PRO HG3 . 19880 4 33 . 1 1 4 4 PRO HD2 H 1 4.002 0.020 . . . . . A 4 PRO HD2 . 19880 4 34 . 1 1 4 4 PRO HD3 H 1 3.606 0.020 . . . . . A 4 PRO HD3 . 19880 4 35 . 1 1 4 4 PRO CA C 13 63.730 0.300 . . . . . A 4 PRO CA . 19880 4 36 . 1 1 4 4 PRO CB C 13 33.299 0.300 . . . . . A 4 PRO CB . 19880 4 37 . 1 1 4 4 PRO CG C 13 27.361 0.300 . . . . . A 4 PRO CG . 19880 4 38 . 1 1 4 4 PRO CD C 13 51.069 0.300 . . . . . A 4 PRO CD . 19880 4 39 . 1 1 5 5 THR H H 1 8.543 0.020 . . . . . A 5 THR H . 19880 4 40 . 1 1 5 5 THR HA H 1 4.820 0.020 . . . . . A 5 THR HA . 19880 4 41 . 1 1 5 5 THR HB H 1 3.911 0.020 . . . . . A 5 THR HB . 19880 4 42 . 1 1 5 5 THR HG21 H 1 1.112 0.020 . . . . . A 5 THR HG21 . 19880 4 43 . 1 1 5 5 THR HG22 H 1 1.112 0.020 . . . . . A 5 THR HG22 . 19880 4 44 . 1 1 5 5 THR HG23 H 1 1.112 0.020 . . . . . A 5 THR HG23 . 19880 4 45 . 1 1 5 5 THR CA C 13 61.618 0.300 . . . . . A 5 THR CA . 19880 4 46 . 1 1 5 5 THR CB C 13 70.257 0.300 . . . . . A 5 THR CB . 19880 4 47 . 1 1 5 5 THR CG2 C 13 21.027 0.300 . . . . . A 5 THR CG2 . 19880 4 48 . 1 1 5 5 THR N N 15 118.207 0.300 . . . . . A 5 THR N . 19880 4 49 . 1 1 6 6 ARG H H 1 7.686 0.020 . . . . . A 6 ARG H . 19880 4 50 . 1 1 6 6 ARG HA H 1 4.528 0.020 . . . . . A 6 ARG HA . 19880 4 51 . 1 1 6 6 ARG HB2 H 1 1.122 0.020 . . . . . A 6 ARG HB2 . 19880 4 52 . 1 1 6 6 ARG HB3 H 1 0.458 0.020 . . . . . A 6 ARG HB3 . 19880 4 53 . 1 1 6 6 ARG HG2 H 1 1.366 0.020 . . . . . A 6 ARG HG2 . 19880 4 54 . 1 1 6 6 ARG HG3 H 1 1.262 0.020 . . . . . A 6 ARG HG3 . 19880 4 55 . 1 1 6 6 ARG HD2 H 1 3.097 0.020 . . . . . A 6 ARG HD2 . 19880 4 56 . 1 1 6 6 ARG HD3 H 1 3.040 0.020 . . . . . A 6 ARG HD3 . 19880 4 57 . 1 1 6 6 ARG HE H 1 7.281 0.020 . . . . . A 6 ARG HE . 19880 4 58 . 1 1 6 6 ARG CA C 13 54.931 0.300 . . . . . A 6 ARG CA . 19880 4 59 . 1 1 6 6 ARG CB C 13 32.752 0.300 . . . . . A 6 ARG CB . 19880 4 60 . 1 1 6 6 ARG CG C 13 28.575 0.300 . . . . . A 6 ARG CG . 19880 4 61 . 1 1 6 6 ARG CD C 13 43.309 0.300 . . . . . A 6 ARG CD . 19880 4 62 . 1 1 6 6 ARG N N 15 123.211 0.300 . . . . . A 6 ARG N . 19880 4 63 . 1 1 6 6 ARG NE N 15 85.585 0.300 . . . . . A 6 ARG NE . 19880 4 64 . 1 1 7 7 ARG H H 1 8.477 0.020 . . . . . A 7 ARG H . 19880 4 65 . 1 1 7 7 ARG HA H 1 4.676 0.020 . . . . . A 7 ARG HA . 19880 4 66 . 1 1 7 7 ARG HB2 H 1 1.772 0.020 . . . . . A 7 ARG HB2 . 19880 4 67 . 1 1 7 7 ARG HB3 H 1 1.563 0.020 . . . . . A 7 ARG HB3 . 19880 4 68 . 1 1 7 7 ARG HG2 H 1 1.488 0.020 . . . . . A 7 ARG HG2 . 19880 4 69 . 1 1 7 7 ARG HG3 H 1 1.396 0.020 . . . . . A 7 ARG HG3 . 19880 4 70 . 1 1 7 7 ARG HD2 H 1 3.105 0.020 . . . . . A 7 ARG HD2 . 19880 4 71 . 1 1 7 7 ARG HD3 H 1 3.065 0.020 . . . . . A 7 ARG HD3 . 19880 4 72 . 1 1 7 7 ARG HE H 1 7.707 0.020 . . . . . A 7 ARG HE . 19880 4 73 . 1 1 7 7 ARG CA C 13 54.415 0.300 . . . . . A 7 ARG CA . 19880 4 74 . 1 1 7 7 ARG CB C 13 32.673 0.300 . . . . . A 7 ARG CB . 19880 4 75 . 1 1 7 7 ARG CG C 13 26.698 0.300 . . . . . A 7 ARG CG . 19880 4 76 . 1 1 7 7 ARG CD C 13 42.612 0.300 . . . . . A 7 ARG CD . 19880 4 77 . 1 1 7 7 ARG N N 15 121.558 0.300 . . . . . A 7 ARG N . 19880 4 78 . 1 1 7 7 ARG NE N 15 84.680 0.300 . . . . . A 7 ARG NE . 19880 4 79 . 1 1 8 8 GLY H H 1 9.280 0.020 . . . . . A 8 GLY H . 19880 4 80 . 1 1 8 8 GLY HA3 H 1 3.912 0.020 . . . . . A 8 GLY HA3 . 19880 4 81 . 1 1 8 8 GLY CA C 13 46.653 0.300 . . . . . A 8 GLY CA . 19880 4 82 . 1 1 8 8 GLY N N 15 111.006 0.300 . . . . . A 8 GLY N . 19880 4 83 . 1 1 9 9 LEU H H 1 8.178 0.020 . . . . . A 9 LEU H . 19880 4 84 . 1 1 9 9 LEU HA H 1 3.894 0.020 . . . . . A 9 LEU HA . 19880 4 85 . 1 1 9 9 LEU HB2 H 1 1.567 0.020 . . . . . A 9 LEU HB2 . 19880 4 86 . 1 1 9 9 LEU HB3 H 1 0.966 0.020 . . . . . A 9 LEU HB3 . 19880 4 87 . 1 1 9 9 LEU HG H 1 1.122 0.020 . . . . . A 9 LEU HG . 19880 4 88 . 1 1 9 9 LEU HD11 H 1 0.533 0.020 . . . . . A 9 LEU HD11 . 19880 4 89 . 1 1 9 9 LEU HD12 H 1 0.533 0.020 . . . . . A 9 LEU HD12 . 19880 4 90 . 1 1 9 9 LEU HD13 H 1 0.533 0.020 . . . . . A 9 LEU HD13 . 19880 4 91 . 1 1 9 9 LEU HD21 H 1 0.453 0.020 . . . . . A 9 LEU HD21 . 19880 4 92 . 1 1 9 9 LEU HD22 H 1 0.453 0.020 . . . . . A 9 LEU HD22 . 19880 4 93 . 1 1 9 9 LEU HD23 H 1 0.453 0.020 . . . . . A 9 LEU HD23 . 19880 4 94 . 1 1 9 9 LEU CA C 13 57.754 0.300 . . . . . A 9 LEU CA . 19880 4 95 . 1 1 9 9 LEU CB C 13 42.770 0.300 . . . . . A 9 LEU CB . 19880 4 96 . 1 1 9 9 LEU CG C 13 26.773 0.300 . . . . . A 9 LEU CG . 19880 4 97 . 1 1 9 9 LEU CD1 C 13 22.657 0.300 . . . . . A 9 LEU CD1 . 19880 4 98 . 1 1 9 9 LEU CD2 C 13 27.242 0.300 . . . . . A 9 LEU CD2 . 19880 4 99 . 1 1 9 9 LEU N N 15 119.202 0.300 . . . . . A 9 LEU N . 19880 4 100 . 1 1 10 10 CYS H H 1 9.263 0.020 . . . . . A 10 CYS H . 19880 4 101 . 1 1 10 10 CYS HA H 1 3.901 0.020 . . . . . A 10 CYS HA . 19880 4 102 . 1 1 10 10 CYS HB2 H 1 3.188 0.020 . . . . . A 10 CYS HB2 . 19880 4 103 . 1 1 10 10 CYS HB3 H 1 2.799 0.020 . . . . . A 10 CYS HB3 . 19880 4 104 . 1 1 10 10 CYS CA C 13 61.378 0.300 . . . . . A 10 CYS CA . 19880 4 105 . 1 1 10 10 CYS CB C 13 42.589 0.300 . . . . . A 10 CYS CB . 19880 4 106 . 1 1 10 10 CYS N N 15 115.050 0.300 . . . . . A 10 CYS N . 19880 4 107 . 1 1 11 11 VAL H H 1 7.337 0.020 . . . . . A 11 VAL H . 19880 4 108 . 1 1 11 11 VAL HA H 1 3.776 0.020 . . . . . A 11 VAL HA . 19880 4 109 . 1 1 11 11 VAL HB H 1 2.107 0.020 . . . . . A 11 VAL HB . 19880 4 110 . 1 1 11 11 VAL HG11 H 1 0.837 0.020 . . . . . A 11 VAL HG11 . 19880 4 111 . 1 1 11 11 VAL HG12 H 1 0.837 0.020 . . . . . A 11 VAL HG12 . 19880 4 112 . 1 1 11 11 VAL HG13 H 1 0.837 0.020 . . . . . A 11 VAL HG13 . 19880 4 113 . 1 1 11 11 VAL HG21 H 1 0.921 0.020 . . . . . A 11 VAL HG21 . 19880 4 114 . 1 1 11 11 VAL HG22 H 1 0.921 0.020 . . . . . A 11 VAL HG22 . 19880 4 115 . 1 1 11 11 VAL HG23 H 1 0.921 0.020 . . . . . A 11 VAL HG23 . 19880 4 116 . 1 1 11 11 VAL CA C 13 64.508 0.300 . . . . . A 11 VAL CA . 19880 4 117 . 1 1 11 11 VAL CB C 13 32.598 0.300 . . . . . A 11 VAL CB . 19880 4 118 . 1 1 11 11 VAL CG1 C 13 21.029 0.300 . . . . . A 11 VAL CG1 . 19880 4 119 . 1 1 11 11 VAL CG2 C 13 21.916 0.300 . . . . . A 11 VAL CG2 . 19880 4 120 . 1 1 11 11 VAL N N 15 117.792 0.300 . . . . . A 11 VAL N . 19880 4 121 . 1 1 12 12 THR H H 1 8.211 0.020 . . . . . A 12 THR H . 19880 4 122 . 1 1 12 12 THR HA H 1 4.047 0.020 . . . . . A 12 THR HA . 19880 4 123 . 1 1 12 12 THR HB H 1 4.122 0.020 . . . . . A 12 THR HB . 19880 4 124 . 1 1 12 12 THR HG21 H 1 1.159 0.020 . . . . . A 12 THR HG21 . 19880 4 125 . 1 1 12 12 THR HG22 H 1 1.159 0.020 . . . . . A 12 THR HG22 . 19880 4 126 . 1 1 12 12 THR HG23 H 1 1.159 0.020 . . . . . A 12 THR HG23 . 19880 4 127 . 1 1 12 12 THR CA C 13 63.575 0.300 . . . . . A 12 THR CA . 19880 4 128 . 1 1 12 12 THR CB C 13 69.400 0.300 . . . . . A 12 THR CB . 19880 4 129 . 1 1 12 12 THR CG2 C 13 21.751 0.300 . . . . . A 12 THR CG2 . 19880 4 130 . 1 1 12 12 THR N N 15 109.816 0.300 . . . . . A 12 THR N . 19880 4 131 . 1 1 13 13 SER H H 1 7.535 0.020 . . . . . A 13 SER H . 19880 4 132 . 1 1 13 13 SER HA H 1 4.611 0.020 . . . . . A 13 SER HA . 19880 4 133 . 1 1 13 13 SER HB2 H 1 3.669 0.020 . . . . . A 13 SER HB2 . 19880 4 134 . 1 1 13 13 SER HB3 H 1 3.592 0.020 . . . . . A 13 SER HB3 . 19880 4 135 . 1 1 13 13 SER CA C 13 59.460 0.300 . . . . . A 13 SER CA . 19880 4 136 . 1 1 13 13 SER CB C 13 64.586 0.300 . . . . . A 13 SER CB . 19880 4 137 . 1 1 13 13 SER N N 15 114.455 0.300 . . . . . A 13 SER N . 19880 4 138 . 1 1 14 14 GLY H H 1 8.381 0.020 . . . . . A 14 GLY H . 19880 4 139 . 1 1 14 14 GLY HA2 H 1 4.472 0.020 . . . . . A 14 GLY HA2 . 19880 4 140 . 1 1 14 14 GLY HA3 H 1 3.901 0.020 . . . . . A 14 GLY HA3 . 19880 4 141 . 1 1 14 14 GLY CA C 13 44.324 0.300 . . . . . A 14 GLY CA . 19880 4 142 . 1 1 14 14 GLY N N 15 109.125 0.300 . . . . . A 14 GLY N . 19880 4 143 . 1 1 15 15 LEU H H 1 8.493 0.020 . . . . . A 15 LEU H . 19880 4 144 . 1 1 15 15 LEU HA H 1 3.939 0.020 . . . . . A 15 LEU HA . 19880 4 145 . 1 1 15 15 LEU HB2 H 1 1.698 0.020 . . . . . A 15 LEU HB2 . 19880 4 146 . 1 1 15 15 LEU HB3 H 1 1.452 0.020 . . . . . A 15 LEU HB3 . 19880 4 147 . 1 1 15 15 LEU HG H 1 1.305 0.020 . . . . . A 15 LEU HG . 19880 4 148 . 1 1 15 15 LEU HD11 H 1 0.868 0.020 . . . . . A 15 LEU HD11 . 19880 4 149 . 1 1 15 15 LEU HD12 H 1 0.868 0.020 . . . . . A 15 LEU HD12 . 19880 4 150 . 1 1 15 15 LEU HD13 H 1 0.868 0.020 . . . . . A 15 LEU HD13 . 19880 4 151 . 1 1 15 15 LEU HD21 H 1 0.777 0.020 . . . . . A 15 LEU HD21 . 19880 4 152 . 1 1 15 15 LEU HD22 H 1 0.777 0.020 . . . . . A 15 LEU HD22 . 19880 4 153 . 1 1 15 15 LEU HD23 H 1 0.777 0.020 . . . . . A 15 LEU HD23 . 19880 4 154 . 1 1 15 15 LEU CA C 13 57.986 0.300 . . . . . A 15 LEU CA . 19880 4 155 . 1 1 15 15 LEU CB C 13 41.526 0.300 . . . . . A 15 LEU CB . 19880 4 156 . 1 1 15 15 LEU CG C 13 27.317 0.300 . . . . . A 15 LEU CG . 19880 4 157 . 1 1 15 15 LEU CD1 C 13 25.765 0.300 . . . . . A 15 LEU CD1 . 19880 4 158 . 1 1 15 15 LEU CD2 C 13 22.851 0.300 . . . . . A 15 LEU CD2 . 19880 4 159 . 1 1 15 15 LEU N N 15 120.782 0.300 . . . . . A 15 LEU N . 19880 4 160 . 1 1 16 16 THR H H 1 8.487 0.020 . . . . . A 16 THR H . 19880 4 161 . 1 1 16 16 THR HA H 1 3.608 0.020 . . . . . A 16 THR HA . 19880 4 162 . 1 1 16 16 THR HB H 1 4.014 0.020 . . . . . A 16 THR HB . 19880 4 163 . 1 1 16 16 THR HG21 H 1 1.075 0.020 . . . . . A 16 THR HG21 . 19880 4 164 . 1 1 16 16 THR HG22 H 1 1.075 0.020 . . . . . A 16 THR HG22 . 19880 4 165 . 1 1 16 16 THR HG23 H 1 1.075 0.020 . . . . . A 16 THR HG23 . 19880 4 166 . 1 1 16 16 THR CA C 13 67.196 0.300 . . . . . A 16 THR CA . 19880 4 167 . 1 1 16 16 THR CB C 13 68.003 0.300 . . . . . A 16 THR CB . 19880 4 168 . 1 1 16 16 THR CG2 C 13 21.841 0.300 . . . . . A 16 THR CG2 . 19880 4 169 . 1 1 16 16 THR N N 15 115.887 0.300 . . . . . A 16 THR N . 19880 4 170 . 1 1 17 17 ALA H H 1 7.622 0.020 . . . . . A 17 ALA H . 19880 4 171 . 1 1 17 17 ALA HA H 1 4.019 0.020 . . . . . A 17 ALA HA . 19880 4 172 . 1 1 17 17 ALA HB1 H 1 1.335 0.020 . . . . . A 17 ALA HB1 . 19880 4 173 . 1 1 17 17 ALA HB2 H 1 1.335 0.020 . . . . . A 17 ALA HB2 . 19880 4 174 . 1 1 17 17 ALA HB3 H 1 1.335 0.020 . . . . . A 17 ALA HB3 . 19880 4 175 . 1 1 17 17 ALA CA C 13 54.841 0.300 . . . . . A 17 ALA CA . 19880 4 176 . 1 1 17 17 ALA CB C 13 18.931 0.300 . . . . . A 17 ALA CB . 19880 4 177 . 1 1 17 17 ALA N N 15 122.643 0.300 . . . . . A 17 ALA N . 19880 4 178 . 1 1 18 18 CYS H H 1 7.659 0.020 . . . . . A 18 CYS H . 19880 4 179 . 1 1 18 18 CYS HA H 1 4.264 0.020 . . . . . A 18 CYS HA . 19880 4 180 . 1 1 18 18 CYS HB2 H 1 2.875 0.020 . . . . . A 18 CYS HB2 . 19880 4 181 . 1 1 18 18 CYS HB3 H 1 2.683 0.020 . . . . . A 18 CYS HB3 . 19880 4 182 . 1 1 18 18 CYS CA C 13 58.453 0.300 . . . . . A 18 CYS CA . 19880 4 183 . 1 1 18 18 CYS CB C 13 37.646 0.300 . . . . . A 18 CYS CB . 19880 4 184 . 1 1 18 18 CYS N N 15 118.252 0.300 . . . . . A 18 CYS N . 19880 4 185 . 1 1 19 19 ARG H H 1 9.089 0.020 . . . . . A 19 ARG H . 19880 4 186 . 1 1 19 19 ARG HA H 1 3.483 0.020 . . . . . A 19 ARG HA . 19880 4 187 . 1 1 19 19 ARG HB2 H 1 1.770 0.020 . . . . . A 19 ARG HB2 . 19880 4 188 . 1 1 19 19 ARG HB3 H 1 1.625 0.020 . . . . . A 19 ARG HB3 . 19880 4 189 . 1 1 19 19 ARG HG2 H 1 1.367 0.020 . . . . . A 19 ARG HG2 . 19880 4 190 . 1 1 19 19 ARG HG3 H 1 1.367 0.020 . . . . . A 19 ARG HG3 . 19880 4 191 . 1 1 19 19 ARG HD2 H 1 3.135 0.020 . . . . . A 19 ARG HD2 . 19880 4 192 . 1 1 19 19 ARG HD3 H 1 3.089 0.020 . . . . . A 19 ARG HD3 . 19880 4 193 . 1 1 19 19 ARG HE H 1 6.966 0.020 . . . . . A 19 ARG HE . 19880 4 194 . 1 1 19 19 ARG CA C 13 60.552 0.300 . . . . . A 19 ARG CA . 19880 4 195 . 1 1 19 19 ARG CB C 13 29.801 0.300 . . . . . A 19 ARG CB . 19880 4 196 . 1 1 19 19 ARG CG C 13 28.713 0.300 . . . . . A 19 ARG CG . 19880 4 197 . 1 1 19 19 ARG CD C 13 43.699 0.300 . . . . . A 19 ARG CD . 19880 4 198 . 1 1 19 19 ARG N N 15 120.422 0.300 . . . . . A 19 ARG N . 19880 4 199 . 1 1 19 19 ARG NE N 15 83.508 0.300 . . . . . A 19 ARG NE . 19880 4 200 . 1 1 20 20 ASN H H 1 8.428 0.020 . . . . . A 20 ASN H . 19880 4 201 . 1 1 20 20 ASN HA H 1 4.218 0.020 . . . . . A 20 ASN HA . 19880 4 202 . 1 1 20 20 ASN HB2 H 1 2.706 0.020 . . . . . A 20 ASN HB2 . 19880 4 203 . 1 1 20 20 ASN HB3 H 1 2.706 0.020 . . . . . A 20 ASN HB3 . 19880 4 204 . 1 1 20 20 ASN HD21 H 1 7.546 0.020 . . . . . A 20 ASN HD21 . 19880 4 205 . 1 1 20 20 ASN HD22 H 1 6.802 0.020 . . . . . A 20 ASN HD22 . 19880 4 206 . 1 1 20 20 ASN CA C 13 55.611 0.300 . . . . . A 20 ASN CA . 19880 4 207 . 1 1 20 20 ASN CB C 13 37.255 0.300 . . . . . A 20 ASN CB . 19880 4 208 . 1 1 20 20 ASN N N 15 117.466 0.300 . . . . . A 20 ASN N . 19880 4 209 . 1 1 20 20 ASN ND2 N 15 111.471 0.300 . . . . . A 20 ASN ND2 . 19880 4 210 . 1 1 21 21 HIS H H 1 7.827 0.020 . . . . . A 21 HIS H . 19880 4 211 . 1 1 21 21 HIS HA H 1 4.182 0.020 . . . . . A 21 HIS HA . 19880 4 212 . 1 1 21 21 HIS HB2 H 1 3.043 0.020 . . . . . A 21 HIS HB2 . 19880 4 213 . 1 1 21 21 HIS HB3 H 1 2.869 0.020 . . . . . A 21 HIS HB3 . 19880 4 214 . 1 1 21 21 HIS HD2 H 1 6.592 0.020 . . . . . A 21 HIS HD2 . 19880 4 215 . 1 1 21 21 HIS HE1 H 1 7.498 0.020 . . . . . A 21 HIS HE1 . 19880 4 216 . 1 1 21 21 HIS CA C 13 59.154 0.300 . . . . . A 21 HIS CA . 19880 4 217 . 1 1 21 21 HIS CB C 13 31.588 0.300 . . . . . A 21 HIS CB . 19880 4 218 . 1 1 21 21 HIS CD2 C 13 118.691 0.300 . . . . . A 21 HIS CD2 . 19880 4 219 . 1 1 21 21 HIS CE1 C 13 137.934 0.300 . . . . . A 21 HIS CE1 . 19880 4 220 . 1 1 21 21 HIS N N 15 120.420 0.300 . . . . . A 21 HIS N . 19880 4 221 . 1 1 22 22 CYS H H 1 8.521 0.020 . . . . . A 22 CYS H . 19880 4 222 . 1 1 22 22 CYS HA H 1 3.167 0.020 . . . . . A 22 CYS HA . 19880 4 223 . 1 1 22 22 CYS HB2 H 1 2.506 0.020 . . . . . A 22 CYS HB2 . 19880 4 224 . 1 1 22 22 CYS HB3 H 1 2.364 0.020 . . . . . A 22 CYS HB3 . 19880 4 225 . 1 1 22 22 CYS CA C 13 58.221 0.300 . . . . . A 22 CYS CA . 19880 4 226 . 1 1 22 22 CYS CB C 13 37.178 0.300 . . . . . A 22 CYS CB . 19880 4 227 . 1 1 22 22 CYS N N 15 117.510 0.300 . . . . . A 22 CYS N . 19880 4 228 . 1 1 23 23 ARG H H 1 7.998 0.020 . . . . . A 23 ARG H . 19880 4 229 . 1 1 23 23 ARG HA H 1 4.671 0.020 . . . . . A 23 ARG HA . 19880 4 230 . 1 1 23 23 ARG HB2 H 1 1.958 0.020 . . . . . A 23 ARG HB2 . 19880 4 231 . 1 1 23 23 ARG HB3 H 1 1.600 0.020 . . . . . A 23 ARG HB3 . 19880 4 232 . 1 1 23 23 ARG HG2 H 1 1.497 0.020 . . . . . A 23 ARG HG2 . 19880 4 233 . 1 1 23 23 ARG HG3 H 1 1.387 0.020 . . . . . A 23 ARG HG3 . 19880 4 234 . 1 1 23 23 ARG HD2 H 1 3.012 0.020 . . . . . A 23 ARG HD2 . 19880 4 235 . 1 1 23 23 ARG HD3 H 1 2.949 0.020 . . . . . A 23 ARG HD3 . 19880 4 236 . 1 1 23 23 ARG HE H 1 6.673 0.020 . . . . . A 23 ARG HE . 19880 4 237 . 1 1 23 23 ARG CA C 13 57.028 0.300 . . . . . A 23 ARG CA . 19880 4 238 . 1 1 23 23 ARG CB C 13 30.655 0.300 . . . . . A 23 ARG CB . 19880 4 239 . 1 1 23 23 ARG CG C 13 27.939 0.300 . . . . . A 23 ARG CG . 19880 4 240 . 1 1 23 23 ARG CD C 13 43.732 0.300 . . . . . A 23 ARG CD . 19880 4 241 . 1 1 23 23 ARG N N 15 116.564 0.300 . . . . . A 23 ARG N . 19880 4 242 . 1 1 23 23 ARG NE N 15 83.674 0.300 . . . . . A 23 ARG NE . 19880 4 243 . 1 1 24 24 SER H H 1 7.450 0.020 . . . . . A 24 SER H . 19880 4 244 . 1 1 24 24 SER HA H 1 4.558 0.020 . . . . . A 24 SER HA . 19880 4 245 . 1 1 24 24 SER HB2 H 1 3.979 0.020 . . . . . A 24 SER HB2 . 19880 4 246 . 1 1 24 24 SER HB3 H 1 3.979 0.020 . . . . . A 24 SER HB3 . 19880 4 247 . 1 1 24 24 SER CA C 13 57.592 0.300 . . . . . A 24 SER CA . 19880 4 248 . 1 1 24 24 SER CB C 13 65.284 0.300 . . . . . A 24 SER CB . 19880 4 249 . 1 1 24 24 SER N N 15 116.727 0.300 . . . . . A 24 SER N . 19880 4 250 . 1 1 25 25 CYS H H 1 9.000 0.020 . . . . . A 25 CYS H . 19880 4 251 . 1 1 25 25 CYS HA H 1 4.643 0.020 . . . . . A 25 CYS HA . 19880 4 252 . 1 1 25 25 CYS HB2 H 1 2.951 0.020 . . . . . A 25 CYS HB2 . 19880 4 253 . 1 1 25 25 CYS HB3 H 1 2.818 0.020 . . . . . A 25 CYS HB3 . 19880 4 254 . 1 1 25 25 CYS CA C 13 56.614 0.300 . . . . . A 25 CYS CA . 19880 4 255 . 1 1 25 25 CYS CB C 13 39.273 0.300 . . . . . A 25 CYS CB . 19880 4 256 . 1 1 25 25 CYS N N 15 121.909 0.300 . . . . . A 25 CYS N . 19880 4 257 . 1 1 26 26 HIS H H 1 9.276 0.020 . . . . . A 26 HIS H . 19880 4 258 . 1 1 26 26 HIS HA H 1 4.968 0.020 . . . . . A 26 HIS HA . 19880 4 259 . 1 1 26 26 HIS HB2 H 1 3.084 0.020 . . . . . A 26 HIS HB2 . 19880 4 260 . 1 1 26 26 HIS HB3 H 1 2.594 0.020 . . . . . A 26 HIS HB3 . 19880 4 261 . 1 1 26 26 HIS HD2 H 1 6.878 0.020 . . . . . A 26 HIS HD2 . 19880 4 262 . 1 1 26 26 HIS HE1 H 1 8.304 0.020 . . . . . A 26 HIS HE1 . 19880 4 263 . 1 1 26 26 HIS HE2 H 1 12.811 0.020 . . . . . A 26 HIS HE2 . 19880 4 264 . 1 1 26 26 HIS CA C 13 54.722 0.300 . . . . . A 26 HIS CA . 19880 4 265 . 1 1 26 26 HIS CB C 13 32.100 0.300 . . . . . A 26 HIS CB . 19880 4 266 . 1 1 26 26 HIS CD2 C 13 119.631 0.300 . . . . . A 26 HIS CD2 . 19880 4 267 . 1 1 26 26 HIS CE1 C 13 134.996 0.300 . . . . . A 26 HIS CE1 . 19880 4 268 . 1 1 26 26 HIS N N 15 126.609 0.300 . . . . . A 26 HIS N . 19880 4 269 . 1 1 26 26 HIS NE2 N 15 178.216 0.300 . . . . . A 26 HIS NE2 . 19880 4 270 . 1 1 27 27 ARG H H 1 8.314 0.020 . . . . . A 27 ARG H . 19880 4 271 . 1 1 27 27 ARG HA H 1 4.033 0.020 . . . . . A 27 ARG HA . 19880 4 272 . 1 1 27 27 ARG HB2 H 1 1.885 0.020 . . . . . A 27 ARG HB2 . 19880 4 273 . 1 1 27 27 ARG HB3 H 1 1.470 0.020 . . . . . A 27 ARG HB3 . 19880 4 274 . 1 1 27 27 ARG HG2 H 1 1.624 0.020 . . . . . A 27 ARG HG2 . 19880 4 275 . 1 1 27 27 ARG HG3 H 1 1.491 0.020 . . . . . A 27 ARG HG3 . 19880 4 276 . 1 1 27 27 ARG HD2 H 1 3.035 0.020 . . . . . A 27 ARG HD2 . 19880 4 277 . 1 1 27 27 ARG HD3 H 1 3.035 0.020 . . . . . A 27 ARG HD3 . 19880 4 278 . 1 1 27 27 ARG HE H 1 7.062 0.020 . . . . . A 27 ARG HE . 19880 4 279 . 1 1 27 27 ARG CA C 13 57.477 0.300 . . . . . A 27 ARG CA . 19880 4 280 . 1 1 27 27 ARG CB C 13 29.880 0.300 . . . . . A 27 ARG CB . 19880 4 281 . 1 1 27 27 ARG CG C 13 26.774 0.300 . . . . . A 27 ARG CG . 19880 4 282 . 1 1 27 27 ARG CD C 13 42.692 0.300 . . . . . A 27 ARG CD . 19880 4 283 . 1 1 27 27 ARG N N 15 122.033 0.300 . . . . . A 27 ARG N . 19880 4 284 . 1 1 27 27 ARG NE N 15 84.548 0.300 . . . . . A 27 ARG NE . 19880 4 285 . 1 1 28 28 GLY H H 1 8.504 0.020 . . . . . A 28 GLY H . 19880 4 286 . 1 1 28 28 GLY HA2 H 1 4.689 0.020 . . . . . A 28 GLY HA2 . 19880 4 287 . 1 1 28 28 GLY HA3 H 1 3.644 0.020 . . . . . A 28 GLY HA3 . 19880 4 288 . 1 1 28 28 GLY CA C 13 43.972 0.300 . . . . . A 28 GLY CA . 19880 4 289 . 1 1 28 28 GLY N N 15 119.213 0.300 . . . . . A 28 GLY N . 19880 4 290 . 1 1 29 29 ASP H H 1 8.646 0.020 . . . . . A 29 ASP H . 19880 4 291 . 1 1 29 29 ASP HA H 1 4.264 0.020 . . . . . A 29 ASP HA . 19880 4 292 . 1 1 29 29 ASP HB2 H 1 2.670 0.020 . . . . . A 29 ASP HB2 . 19880 4 293 . 1 1 29 29 ASP HB3 H 1 2.583 0.020 . . . . . A 29 ASP HB3 . 19880 4 294 . 1 1 29 29 ASP CA C 13 57.446 0.300 . . . . . A 29 ASP CA . 19880 4 295 . 1 1 29 29 ASP CB C 13 40.438 0.300 . . . . . A 29 ASP CB . 19880 4 296 . 1 1 29 29 ASP N N 15 121.258 0.300 . . . . . A 29 ASP N . 19880 4 297 . 1 1 30 30 VAL H H 1 8.050 0.020 . . . . . A 30 VAL H . 19880 4 298 . 1 1 30 30 VAL HA H 1 4.220 0.020 . . . . . A 30 VAL HA . 19880 4 299 . 1 1 30 30 VAL HB H 1 2.100 0.020 . . . . . A 30 VAL HB . 19880 4 300 . 1 1 30 30 VAL HG11 H 1 0.709 0.020 . . . . . A 30 VAL HG11 . 19880 4 301 . 1 1 30 30 VAL HG12 H 1 0.709 0.020 . . . . . A 30 VAL HG12 . 19880 4 302 . 1 1 30 30 VAL HG13 H 1 0.709 0.020 . . . . . A 30 VAL HG13 . 19880 4 303 . 1 1 30 30 VAL HG21 H 1 0.784 0.020 . . . . . A 30 VAL HG21 . 19880 4 304 . 1 1 30 30 VAL HG22 H 1 0.784 0.020 . . . . . A 30 VAL HG22 . 19880 4 305 . 1 1 30 30 VAL HG23 H 1 0.784 0.020 . . . . . A 30 VAL HG23 . 19880 4 306 . 1 1 30 30 VAL CA C 13 61.407 0.300 . . . . . A 30 VAL CA . 19880 4 307 . 1 1 30 30 VAL CB C 13 32.905 0.300 . . . . . A 30 VAL CB . 19880 4 308 . 1 1 30 30 VAL CG1 C 13 19.476 0.300 . . . . . A 30 VAL CG1 . 19880 4 309 . 1 1 30 30 VAL CG2 C 13 21.104 0.300 . . . . . A 30 VAL CG2 . 19880 4 310 . 1 1 30 30 VAL N N 15 112.703 0.300 . . . . . A 30 VAL N . 19880 4 311 . 1 1 31 31 GLY H H 1 7.536 0.020 . . . . . A 31 GLY H . 19880 4 312 . 1 1 31 31 GLY HA2 H 1 4.050 0.020 . . . . . A 31 GLY HA2 . 19880 4 313 . 1 1 31 31 GLY HA3 H 1 3.663 0.020 . . . . . A 31 GLY HA3 . 19880 4 314 . 1 1 31 31 GLY CA C 13 44.366 0.300 . . . . . A 31 GLY CA . 19880 4 315 . 1 1 31 31 GLY N N 15 109.481 0.300 . . . . . A 31 GLY N . 19880 4 316 . 1 1 32 32 CYS H H 1 8.572 0.020 . . . . . A 32 CYS H . 19880 4 317 . 1 1 32 32 CYS HA H 1 4.955 0.020 . . . . . A 32 CYS HA . 19880 4 318 . 1 1 32 32 CYS HB2 H 1 2.837 0.020 . . . . . A 32 CYS HB2 . 19880 4 319 . 1 1 32 32 CYS HB3 H 1 2.837 0.020 . . . . . A 32 CYS HB3 . 19880 4 320 . 1 1 32 32 CYS CA C 13 54.181 0.300 . . . . . A 32 CYS CA . 19880 4 321 . 1 1 32 32 CYS CB C 13 41.296 0.300 . . . . . A 32 CYS CB . 19880 4 322 . 1 1 32 32 CYS N N 15 121.673 0.300 . . . . . A 32 CYS N . 19880 4 323 . 1 1 33 33 VAL H H 1 9.044 0.020 . . . . . A 33 VAL H . 19880 4 324 . 1 1 33 33 VAL HA H 1 4.806 0.020 . . . . . A 33 VAL HA . 19880 4 325 . 1 1 33 33 VAL HB H 1 1.622 0.020 . . . . . A 33 VAL HB . 19880 4 326 . 1 1 33 33 VAL HG11 H 1 0.331 0.020 . . . . . A 33 VAL HG11 . 19880 4 327 . 1 1 33 33 VAL HG12 H 1 0.331 0.020 . . . . . A 33 VAL HG12 . 19880 4 328 . 1 1 33 33 VAL HG13 H 1 0.331 0.020 . . . . . A 33 VAL HG13 . 19880 4 329 . 1 1 33 33 VAL HG21 H 1 0.565 0.020 . . . . . A 33 VAL HG21 . 19880 4 330 . 1 1 33 33 VAL HG22 H 1 0.565 0.020 . . . . . A 33 VAL HG22 . 19880 4 331 . 1 1 33 33 VAL HG23 H 1 0.565 0.020 . . . . . A 33 VAL HG23 . 19880 4 332 . 1 1 33 33 VAL CA C 13 59.311 0.300 . . . . . A 33 VAL CA . 19880 4 333 . 1 1 33 33 VAL CB C 13 36.480 0.300 . . . . . A 33 VAL CB . 19880 4 334 . 1 1 33 33 VAL CG1 C 13 17.690 0.300 . . . . . A 33 VAL CG1 . 19880 4 335 . 1 1 33 33 VAL CG2 C 13 22.504 0.300 . . . . . A 33 VAL CG2 . 19880 4 336 . 1 1 33 33 VAL N N 15 119.401 0.300 . . . . . A 33 VAL N . 19880 4 337 . 1 1 34 34 ARG H H 1 8.370 0.020 . . . . . A 34 ARG H . 19880 4 338 . 1 1 34 34 ARG HA H 1 4.697 0.020 . . . . . A 34 ARG HA . 19880 4 339 . 1 1 34 34 ARG HB2 H 1 1.486 0.020 . . . . . A 34 ARG HB2 . 19880 4 340 . 1 1 34 34 ARG HB3 H 1 1.486 0.020 . . . . . A 34 ARG HB3 . 19880 4 341 . 1 1 34 34 ARG HG2 H 1 1.449 0.020 . . . . . A 34 ARG HG2 . 19880 4 342 . 1 1 34 34 ARG HG3 H 1 1.271 0.020 . . . . . A 34 ARG HG3 . 19880 4 343 . 1 1 34 34 ARG HD2 H 1 3.069 0.020 . . . . . A 34 ARG HD2 . 19880 4 344 . 1 1 34 34 ARG HD3 H 1 3.069 0.020 . . . . . A 34 ARG HD3 . 19880 4 345 . 1 1 34 34 ARG HE H 1 7.186 0.020 . . . . . A 34 ARG HE . 19880 4 346 . 1 1 34 34 ARG CA C 13 55.192 0.300 . . . . . A 34 ARG CA . 19880 4 347 . 1 1 34 34 ARG CB C 13 33.138 0.300 . . . . . A 34 ARG CB . 19880 4 348 . 1 1 34 34 ARG CG C 13 27.205 0.300 . . . . . A 34 ARG CG . 19880 4 349 . 1 1 34 34 ARG CD C 13 43.821 0.300 . . . . . A 34 ARG CD . 19880 4 350 . 1 1 34 34 ARG N N 15 120.394 0.300 . . . . . A 34 ARG N . 19880 4 351 . 1 1 34 34 ARG NE N 15 84.450 0.300 . . . . . A 34 ARG NE . 19880 4 352 . 1 1 35 35 CYS H H 1 8.570 0.020 . . . . . A 35 CYS H . 19880 4 353 . 1 1 35 35 CYS HA H 1 6.058 0.020 . . . . . A 35 CYS HA . 19880 4 354 . 1 1 35 35 CYS HB2 H 1 3.491 0.020 . . . . . A 35 CYS HB2 . 19880 4 355 . 1 1 35 35 CYS HB3 H 1 2.619 0.020 . . . . . A 35 CYS HB3 . 19880 4 356 . 1 1 35 35 CYS CA C 13 55.277 0.300 . . . . . A 35 CYS CA . 19880 4 357 . 1 1 35 35 CYS CB C 13 44.553 0.300 . . . . . A 35 CYS CB . 19880 4 358 . 1 1 35 35 CYS N N 15 118.098 0.300 . . . . . A 35 CYS N . 19880 4 359 . 1 1 36 36 SER H H 1 7.694 0.020 . . . . . A 36 SER H . 19880 4 360 . 1 1 36 36 SER HA H 1 4.326 0.020 . . . . . A 36 SER HA . 19880 4 361 . 1 1 36 36 SER HB2 H 1 3.744 0.020 . . . . . A 36 SER HB2 . 19880 4 362 . 1 1 36 36 SER HB3 H 1 3.689 0.020 . . . . . A 36 SER HB3 . 19880 4 363 . 1 1 36 36 SER CA C 13 60.945 0.300 . . . . . A 36 SER CA . 19880 4 364 . 1 1 36 36 SER CB C 13 64.743 0.300 . . . . . A 36 SER CB . 19880 4 365 . 1 1 36 36 SER N N 15 114.009 0.300 . . . . . A 36 SER N . 19880 4 366 . 1 1 37 37 ASN H H 1 7.774 0.020 . . . . . A 37 ASN H . 19880 4 367 . 1 1 37 37 ASN HA H 1 4.419 0.020 . . . . . A 37 ASN HA . 19880 4 368 . 1 1 37 37 ASN HB2 H 1 2.727 0.020 . . . . . A 37 ASN HB2 . 19880 4 369 . 1 1 37 37 ASN HB3 H 1 2.500 0.020 . . . . . A 37 ASN HB3 . 19880 4 370 . 1 1 37 37 ASN HD21 H 1 7.734 0.020 . . . . . A 37 ASN HD21 . 19880 4 371 . 1 1 37 37 ASN HD22 H 1 7.123 0.020 . . . . . A 37 ASN HD22 . 19880 4 372 . 1 1 37 37 ASN CA C 13 52.086 0.300 . . . . . A 37 ASN CA . 19880 4 373 . 1 1 37 37 ASN CB C 13 41.374 0.300 . . . . . A 37 ASN CB . 19880 4 374 . 1 1 37 37 ASN N N 15 117.050 0.300 . . . . . A 37 ASN N . 19880 4 375 . 1 1 37 37 ASN ND2 N 15 113.245 0.300 . . . . . A 37 ASN ND2 . 19880 4 376 . 1 1 38 38 ALA H H 1 9.342 0.020 . . . . . A 38 ALA H . 19880 4 377 . 1 1 38 38 ALA HA H 1 5.173 0.020 . . . . . A 38 ALA HA . 19880 4 378 . 1 1 38 38 ALA HB1 H 1 1.256 0.020 . . . . . A 38 ALA HB1 . 19880 4 379 . 1 1 38 38 ALA HB2 H 1 1.256 0.020 . . . . . A 38 ALA HB2 . 19880 4 380 . 1 1 38 38 ALA HB3 H 1 1.256 0.020 . . . . . A 38 ALA HB3 . 19880 4 381 . 1 1 38 38 ALA CA C 13 52.134 0.300 . . . . . A 38 ALA CA . 19880 4 382 . 1 1 38 38 ALA CB C 13 19.193 0.300 . . . . . A 38 ALA CB . 19880 4 383 . 1 1 38 38 ALA N N 15 123.735 0.300 . . . . . A 38 ALA N . 19880 4 384 . 1 1 39 39 GLN H H 1 8.763 0.020 . . . . . A 39 GLN H . 19880 4 385 . 1 1 39 39 GLN HA H 1 4.323 0.020 . . . . . A 39 GLN HA . 19880 4 386 . 1 1 39 39 GLN HB2 H 1 2.218 0.020 . . . . . A 39 GLN HB2 . 19880 4 387 . 1 1 39 39 GLN HB3 H 1 2.113 0.020 . . . . . A 39 GLN HB3 . 19880 4 388 . 1 1 39 39 GLN HG2 H 1 1.811 0.020 . . . . . A 39 GLN HG2 . 19880 4 389 . 1 1 39 39 GLN HG3 H 1 1.595 0.020 . . . . . A 39 GLN HG3 . 19880 4 390 . 1 1 39 39 GLN HE21 H 1 7.272 0.020 . . . . . A 39 GLN HE21 . 19880 4 391 . 1 1 39 39 GLN HE22 H 1 6.713 0.020 . . . . . A 39 GLN HE22 . 19880 4 392 . 1 1 39 39 GLN CA C 13 54.749 0.300 . . . . . A 39 GLN CA . 19880 4 393 . 1 1 39 39 GLN CB C 13 33.817 0.300 . . . . . A 39 GLN CB . 19880 4 394 . 1 1 39 39 GLN CG C 13 33.684 0.300 . . . . . A 39 GLN CG . 19880 4 395 . 1 1 39 39 GLN N N 15 116.531 0.300 . . . . . A 39 GLN N . 19880 4 396 . 1 1 39 39 GLN NE2 N 15 110.797 0.300 . . . . . A 39 GLN NE2 . 19880 4 397 . 1 1 40 40 CYS H H 1 8.555 0.020 . . . . . A 40 CYS H . 19880 4 398 . 1 1 40 40 CYS HA H 1 5.568 0.020 . . . . . A 40 CYS HA . 19880 4 399 . 1 1 40 40 CYS HB2 H 1 3.279 0.020 . . . . . A 40 CYS HB2 . 19880 4 400 . 1 1 40 40 CYS HB3 H 1 2.694 0.020 . . . . . A 40 CYS HB3 . 19880 4 401 . 1 1 40 40 CYS CA C 13 54.413 0.300 . . . . . A 40 CYS CA . 19880 4 402 . 1 1 40 40 CYS CB C 13 40.902 0.300 . . . . . A 40 CYS CB . 19880 4 403 . 1 1 40 40 CYS N N 15 122.074 0.300 . . . . . A 40 CYS N . 19880 4 404 . 1 1 41 41 THR H H 1 9.786 0.020 . . . . . A 41 THR H . 19880 4 405 . 1 1 41 41 THR HA H 1 4.646 0.020 . . . . . A 41 THR HA . 19880 4 406 . 1 1 41 41 THR HB H 1 4.243 0.020 . . . . . A 41 THR HB . 19880 4 407 . 1 1 41 41 THR HG21 H 1 1.023 0.020 . . . . . A 41 THR HG21 . 19880 4 408 . 1 1 41 41 THR HG22 H 1 1.023 0.020 . . . . . A 41 THR HG22 . 19880 4 409 . 1 1 41 41 THR HG23 H 1 1.023 0.020 . . . . . A 41 THR HG23 . 19880 4 410 . 1 1 41 41 THR CA C 13 60.550 0.300 . . . . . A 41 THR CA . 19880 4 411 . 1 1 41 41 THR CB C 13 71.033 0.300 . . . . . A 41 THR CB . 19880 4 412 . 1 1 41 41 THR CG2 C 13 21.495 0.300 . . . . . A 41 THR CG2 . 19880 4 413 . 1 1 41 41 THR N N 15 117.753 0.300 . . . . . A 41 THR N . 19880 4 414 . 1 1 42 42 GLY H H 1 8.267 0.020 . . . . . A 42 GLY H . 19880 4 415 . 1 1 42 42 GLY HA2 H 1 4.393 0.020 . . . . . A 42 GLY HA2 . 19880 4 416 . 1 1 42 42 GLY HA3 H 1 3.715 0.020 . . . . . A 42 GLY HA3 . 19880 4 417 . 1 1 42 42 GLY CA C 13 44.015 0.300 . . . . . A 42 GLY CA . 19880 4 418 . 1 1 42 42 GLY N N 15 105.809 0.300 . . . . . A 42 GLY N . 19880 4 419 . 1 1 43 43 PHE H H 1 8.726 0.020 . . . . . A 43 PHE H . 19880 4 420 . 1 1 43 43 PHE HA H 1 4.302 0.020 . . . . . A 43 PHE HA . 19880 4 421 . 1 1 43 43 PHE HB2 H 1 3.102 0.020 . . . . . A 43 PHE HB2 . 19880 4 422 . 1 1 43 43 PHE HB3 H 1 2.839 0.020 . . . . . A 43 PHE HB3 . 19880 4 423 . 1 1 43 43 PHE HD1 H 1 7.176 0.020 . . . . . A 43 PHE HD1 . 19880 4 424 . 1 1 43 43 PHE HD2 H 1 7.176 0.020 . . . . . A 43 PHE HD2 . 19880 4 425 . 1 1 43 43 PHE HE1 H 1 7.276 0.020 . . . . . A 43 PHE HE1 . 19880 4 426 . 1 1 43 43 PHE HE2 H 1 7.276 0.020 . . . . . A 43 PHE HE2 . 19880 4 427 . 1 1 43 43 PHE HZ H 1 7.221 0.020 . . . . . A 43 PHE HZ . 19880 4 428 . 1 1 43 43 PHE CA C 13 60.196 0.300 . . . . . A 43 PHE CA . 19880 4 429 . 1 1 43 43 PHE CB C 13 38.650 0.300 . . . . . A 43 PHE CB . 19880 4 430 . 1 1 43 43 PHE CD1 C 13 131.577 0.300 . . . . . A 43 PHE CD1 . 19880 4 431 . 1 1 43 43 PHE CE1 C 13 131.537 0.300 . . . . . A 43 PHE CE1 . 19880 4 432 . 1 1 43 43 PHE CZ C 13 129.967 0.300 . . . . . A 43 PHE CZ . 19880 4 433 . 1 1 43 43 PHE N N 15 123.293 0.300 . . . . . A 43 PHE N . 19880 4 434 . 1 1 44 44 LEU H H 1 8.734 0.020 . . . . . A 44 LEU H . 19880 4 435 . 1 1 44 44 LEU HA H 1 3.862 0.020 . . . . . A 44 LEU HA . 19880 4 436 . 1 1 44 44 LEU HB2 H 1 1.528 0.020 . . . . . A 44 LEU HB2 . 19880 4 437 . 1 1 44 44 LEU HB3 H 1 1.387 0.020 . . . . . A 44 LEU HB3 . 19880 4 438 . 1 1 44 44 LEU HG H 1 1.256 0.020 . . . . . A 44 LEU HG . 19880 4 439 . 1 1 44 44 LEU HD11 H 1 0.620 0.020 . . . . . A 44 LEU HD11 . 19880 4 440 . 1 1 44 44 LEU HD12 H 1 0.620 0.020 . . . . . A 44 LEU HD12 . 19880 4 441 . 1 1 44 44 LEU HD13 H 1 0.620 0.020 . . . . . A 44 LEU HD13 . 19880 4 442 . 1 1 44 44 LEU HD21 H 1 0.513 0.020 . . . . . A 44 LEU HD21 . 19880 4 443 . 1 1 44 44 LEU HD22 H 1 0.513 0.020 . . . . . A 44 LEU HD22 . 19880 4 444 . 1 1 44 44 LEU HD23 H 1 0.513 0.020 . . . . . A 44 LEU HD23 . 19880 4 445 . 1 1 44 44 LEU CB C 13 40.386 0.300 . . . . . A 44 LEU CB . 19880 4 446 . 1 1 44 44 LEU CG C 13 27.472 0.300 . . . . . A 44 LEU CG . 19880 4 447 . 1 1 44 44 LEU CD1 C 13 25.609 0.300 . . . . . A 44 LEU CD1 . 19880 4 448 . 1 1 44 44 LEU CD2 C 13 22.119 0.300 . . . . . A 44 LEU CD2 . 19880 4 449 . 1 1 44 44 LEU N N 15 120.771 0.300 . . . . . A 44 LEU N . 19880 4 450 . 1 1 45 45 GLY H H 1 7.854 0.020 . . . . . A 45 GLY H . 19880 4 451 . 1 1 45 45 GLY HA2 H 1 3.563 0.020 . . . . . A 45 GLY HA2 . 19880 4 452 . 1 1 45 45 GLY HA3 H 1 3.166 0.020 . . . . . A 45 GLY HA3 . 19880 4 453 . 1 1 45 45 GLY CA C 13 47.311 0.300 . . . . . A 45 GLY CA . 19880 4 454 . 1 1 45 45 GLY N N 15 107.545 0.300 . . . . . A 45 GLY N . 19880 4 455 . 1 1 46 46 THR H H 1 6.840 0.020 . . . . . A 46 THR H . 19880 4 456 . 1 1 46 46 THR HA H 1 3.907 0.020 . . . . . A 46 THR HA . 19880 4 457 . 1 1 46 46 THR HB H 1 4.273 0.020 . . . . . A 46 THR HB . 19880 4 458 . 1 1 46 46 THR HG21 H 1 1.023 0.020 . . . . . A 46 THR HG21 . 19880 4 459 . 1 1 46 46 THR HG22 H 1 1.023 0.020 . . . . . A 46 THR HG22 . 19880 4 460 . 1 1 46 46 THR HG23 H 1 1.023 0.020 . . . . . A 46 THR HG23 . 19880 4 461 . 1 1 46 46 THR CA C 13 62.180 0.300 . . . . . A 46 THR CA . 19880 4 462 . 1 1 46 46 THR CB C 13 70.021 0.300 . . . . . A 46 THR CB . 19880 4 463 . 1 1 46 46 THR CG2 C 13 21.959 0.300 . . . . . A 46 THR CG2 . 19880 4 464 . 1 1 46 46 THR N N 15 104.485 0.300 . . . . . A 46 THR N . 19880 4 465 . 1 1 47 47 THR H H 1 8.764 0.020 . . . . . A 47 THR H . 19880 4 466 . 1 1 47 47 THR HA H 1 4.390 0.020 . . . . . A 47 THR HA . 19880 4 467 . 1 1 47 47 THR HB H 1 3.767 0.020 . . . . . A 47 THR HB . 19880 4 468 . 1 1 47 47 THR HG21 H 1 0.993 0.020 . . . . . A 47 THR HG21 . 19880 4 469 . 1 1 47 47 THR HG22 H 1 0.993 0.020 . . . . . A 47 THR HG22 . 19880 4 470 . 1 1 47 47 THR HG23 H 1 0.993 0.020 . . . . . A 47 THR HG23 . 19880 4 471 . 1 1 47 47 THR CA C 13 62.843 0.300 . . . . . A 47 THR CA . 19880 4 472 . 1 1 47 47 THR CB C 13 70.176 0.300 . . . . . A 47 THR CB . 19880 4 473 . 1 1 47 47 THR CG2 C 13 21.391 0.300 . . . . . A 47 THR CG2 . 19880 4 474 . 1 1 47 47 THR N N 15 123.300 0.300 . . . . . A 47 THR N . 19880 4 475 . 1 1 48 48 CYS H H 1 9.179 0.020 . . . . . A 48 CYS H . 19880 4 476 . 1 1 48 48 CYS HA H 1 4.981 0.020 . . . . . A 48 CYS HA . 19880 4 477 . 1 1 48 48 CYS HB2 H 1 3.018 0.020 . . . . . A 48 CYS HB2 . 19880 4 478 . 1 1 48 48 CYS HB3 H 1 2.924 0.020 . . . . . A 48 CYS HB3 . 19880 4 479 . 1 1 48 48 CYS CA C 13 55.984 0.300 . . . . . A 48 CYS CA . 19880 4 480 . 1 1 48 48 CYS CB C 13 36.282 0.300 . . . . . A 48 CYS CB . 19880 4 481 . 1 1 48 48 CYS N N 15 128.024 0.300 . . . . . A 48 CYS N . 19880 4 482 . 1 1 49 49 THR H H 1 9.184 0.020 . . . . . A 49 THR H . 19880 4 483 . 1 1 49 49 THR HA H 1 4.376 0.020 . . . . . A 49 THR HA . 19880 4 484 . 1 1 49 49 THR HB H 1 3.887 0.020 . . . . . A 49 THR HB . 19880 4 485 . 1 1 49 49 THR HG21 H 1 1.015 0.020 . . . . . A 49 THR HG21 . 19880 4 486 . 1 1 49 49 THR HG22 H 1 1.015 0.020 . . . . . A 49 THR HG22 . 19880 4 487 . 1 1 49 49 THR HG23 H 1 1.015 0.020 . . . . . A 49 THR HG23 . 19880 4 488 . 1 1 49 49 THR CA C 13 61.871 0.300 . . . . . A 49 THR CA . 19880 4 489 . 1 1 49 49 THR CB C 13 69.789 0.300 . . . . . A 49 THR CB . 19880 4 490 . 1 1 49 49 THR CG2 C 13 21.671 0.300 . . . . . A 49 THR CG2 . 19880 4 491 . 1 1 49 49 THR N N 15 131.810 0.300 . . . . . A 49 THR N . 19880 4 492 . 1 1 50 50 CYS H H 1 8.869 0.020 . . . . . A 50 CYS H . 19880 4 493 . 1 1 50 50 CYS HA H 1 5.044 0.020 . . . . . A 50 CYS HA . 19880 4 494 . 1 1 50 50 CYS HB2 H 1 2.893 0.020 . . . . . A 50 CYS HB2 . 19880 4 495 . 1 1 50 50 CYS HB3 H 1 3.164 0.020 . . . . . A 50 CYS HB3 . 19880 4 496 . 1 1 50 50 CYS CA C 13 51.880 0.300 . . . . . A 50 CYS CA . 19880 4 497 . 1 1 50 50 CYS CB C 13 34.934 0.300 . . . . . A 50 CYS CB . 19880 4 498 . 1 1 50 50 CYS N N 15 123.835 0.300 . . . . . A 50 CYS N . 19880 4 499 . 1 1 51 51 ILE H H 1 8.113 0.020 . . . . . A 51 ILE H . 19880 4 500 . 1 1 51 51 ILE HA H 1 4.151 0.020 . . . . . A 51 ILE HA . 19880 4 501 . 1 1 51 51 ILE HB H 1 1.078 0.020 . . . . . A 51 ILE HB . 19880 4 502 . 1 1 51 51 ILE HG12 H 1 1.234 0.020 . . . . . A 51 ILE HG12 . 19880 4 503 . 1 1 51 51 ILE HG13 H 1 1.023 0.020 . . . . . A 51 ILE HG13 . 19880 4 504 . 1 1 51 51 ILE HG21 H 1 1.022 0.020 . . . . . A 51 ILE HG21 . 19880 4 505 . 1 1 51 51 ILE HG22 H 1 1.022 0.020 . . . . . A 51 ILE HG22 . 19880 4 506 . 1 1 51 51 ILE HG23 H 1 1.022 0.020 . . . . . A 51 ILE HG23 . 19880 4 507 . 1 1 51 51 ILE HD11 H 1 0.540 0.020 . . . . . A 51 ILE HD11 . 19880 4 508 . 1 1 51 51 ILE HD12 H 1 0.540 0.020 . . . . . A 51 ILE HD12 . 19880 4 509 . 1 1 51 51 ILE HD13 H 1 0.540 0.020 . . . . . A 51 ILE HD13 . 19880 4 510 . 1 1 51 51 ILE CA C 13 59.619 0.300 . . . . . A 51 ILE CA . 19880 4 511 . 1 1 51 51 ILE CB C 13 39.380 0.300 . . . . . A 51 ILE CB . 19880 4 512 . 1 1 51 51 ILE CG1 C 13 26.813 0.300 . . . . . A 51 ILE CG1 . 19880 4 513 . 1 1 51 51 ILE CG2 C 13 16.136 0.300 . . . . . A 51 ILE CG2 . 19880 4 514 . 1 1 51 51 ILE CD1 C 13 11.167 0.300 . . . . . A 51 ILE CD1 . 19880 4 515 . 1 1 51 51 ILE N N 15 123.986 0.300 . . . . . A 51 ILE N . 19880 4 516 . 1 1 52 52 ASN H H 1 8.346 0.020 . . . . . A 52 ASN H . 19880 4 517 . 1 1 52 52 ASN HA H 1 4.716 0.020 . . . . . A 52 ASN HA . 19880 4 518 . 1 1 52 52 ASN HB2 H 1 2.668 0.020 . . . . . A 52 ASN HB2 . 19880 4 519 . 1 1 52 52 ASN HB3 H 1 2.524 0.020 . . . . . A 52 ASN HB3 . 19880 4 520 . 1 1 52 52 ASN HD21 H 1 7.435 0.020 . . . . . A 52 ASN HD21 . 19880 4 521 . 1 1 52 52 ASN HD22 H 1 6.760 0.020 . . . . . A 52 ASN HD22 . 19880 4 522 . 1 1 52 52 ASN CA C 13 52.891 0.300 . . . . . A 52 ASN CA . 19880 4 523 . 1 1 52 52 ASN CB C 13 37.913 0.300 . . . . . A 52 ASN CB . 19880 4 524 . 1 1 52 52 ASN N N 15 126.122 0.300 . . . . . A 52 ASN N . 19880 4 525 . 1 1 52 52 ASN ND2 N 15 111.646 0.300 . . . . . A 52 ASN ND2 . 19880 4 526 . 1 1 53 53 PRO HA H 1 4.317 0.020 . . . . . A 53 PRO HA . 19880 4 527 . 1 1 53 53 PRO HB2 H 1 2.401 0.020 . . . . . A 53 PRO HB2 . 19880 4 528 . 1 1 53 53 PRO HB3 H 1 1.990 0.020 . . . . . A 53 PRO HB3 . 19880 4 529 . 1 1 53 53 PRO HG2 H 1 1.924 0.020 . . . . . A 53 PRO HG2 . 19880 4 530 . 1 1 53 53 PRO HG3 H 1 1.798 0.020 . . . . . A 53 PRO HG3 . 19880 4 531 . 1 1 53 53 PRO HD2 H 1 3.578 0.020 . . . . . A 53 PRO HD2 . 19880 4 532 . 1 1 53 53 PRO HD3 H 1 3.513 0.020 . . . . . A 53 PRO HD3 . 19880 4 533 . 1 1 53 53 PRO CA C 13 63.033 0.300 . . . . . A 53 PRO CA . 19880 4 534 . 1 1 53 53 PRO CB C 13 35.860 0.300 . . . . . A 53 PRO CB . 19880 4 535 . 1 1 53 53 PRO CG C 13 25.454 0.300 . . . . . A 53 PRO CG . 19880 4 536 . 1 1 53 53 PRO CD C 13 51.623 0.300 . . . . . A 53 PRO CD . 19880 4 537 . 1 1 54 54 CYS H H 1 8.886 0.020 . . . . . A 54 CYS H . 19880 4 538 . 1 1 54 54 CYS HA H 1 5.739 0.020 . . . . . A 54 CYS HA . 19880 4 539 . 1 1 54 54 CYS HB2 H 1 3.074 0.020 . . . . . A 54 CYS HB2 . 19880 4 540 . 1 1 54 54 CYS HB3 H 1 2.631 0.020 . . . . . A 54 CYS HB3 . 19880 4 541 . 1 1 54 54 CYS CA C 13 54.150 0.300 . . . . . A 54 CYS CA . 19880 4 542 . 1 1 54 54 CYS CB C 13 46.154 0.300 . . . . . A 54 CYS CB . 19880 4 543 . 1 1 54 54 CYS N N 15 123.090 0.300 . . . . . A 54 CYS N . 19880 4 544 . 1 1 55 55 PRO HA H 1 4.292 0.020 . . . . . A 55 PRO HA . 19880 4 545 . 1 1 55 55 PRO HB2 H 1 2.155 0.020 . . . . . A 55 PRO HB2 . 19880 4 546 . 1 1 55 55 PRO HB3 H 1 1.882 0.020 . . . . . A 55 PRO HB3 . 19880 4 547 . 1 1 55 55 PRO HG2 H 1 1.888 0.020 . . . . . A 55 PRO HG2 . 19880 4 548 . 1 1 55 55 PRO HG3 H 1 1.779 0.020 . . . . . A 55 PRO HG3 . 19880 4 549 . 1 1 55 55 PRO HD2 H 1 4.230 0.020 . . . . . A 55 PRO HD2 . 19880 4 550 . 1 1 55 55 PRO HD3 H 1 3.020 0.020 . . . . . A 55 PRO HD3 . 19880 4 551 . 1 1 55 55 PRO CA C 13 62.258 0.300 . . . . . A 55 PRO CA . 19880 4 552 . 1 1 55 55 PRO CB C 13 32.450 0.300 . . . . . A 55 PRO CB . 19880 4 553 . 1 1 55 55 PRO CG C 13 27.369 0.300 . . . . . A 55 PRO CG . 19880 4 554 . 1 1 55 55 PRO CD C 13 50.457 0.300 . . . . . A 55 PRO CD . 19880 4 555 . 1 1 56 56 ARG H H 1 7.902 0.020 . . . . . A 56 ARG H . 19880 4 556 . 1 1 56 56 ARG HA H 1 4.499 0.020 . . . . . A 56 ARG HA . 19880 4 557 . 1 1 56 56 ARG HB2 H 1 1.811 0.020 . . . . . A 56 ARG HB2 . 19880 4 558 . 1 1 56 56 ARG HB3 H 1 1.685 0.020 . . . . . A 56 ARG HB3 . 19880 4 559 . 1 1 56 56 ARG HG2 H 1 1.687 0.020 . . . . . A 56 ARG HG2 . 19880 4 560 . 1 1 56 56 ARG HG3 H 1 1.578 0.020 . . . . . A 56 ARG HG3 . 19880 4 561 . 1 1 56 56 ARG HD2 H 1 3.111 0.020 . . . . . A 56 ARG HD2 . 19880 4 562 . 1 1 56 56 ARG HD3 H 1 3.111 0.020 . . . . . A 56 ARG HD3 . 19880 4 563 . 1 1 56 56 ARG HE H 1 7.149 0.020 . . . . . A 56 ARG HE . 19880 4 564 . 1 1 56 56 ARG CA C 13 56.121 0.300 . . . . . A 56 ARG CA . 19880 4 565 . 1 1 56 56 ARG CB C 13 30.539 0.300 . . . . . A 56 ARG CB . 19880 4 566 . 1 1 56 56 ARG CG C 13 27.355 0.300 . . . . . A 56 ARG CG . 19880 4 567 . 1 1 56 56 ARG CD C 13 42.891 0.300 . . . . . A 56 ARG CD . 19880 4 568 . 1 1 56 56 ARG N N 15 117.289 0.300 . . . . . A 56 ARG N . 19880 4 569 . 1 1 56 56 ARG NE N 15 84.459 0.300 . . . . . A 56 ARG NE . 19880 4 570 . 1 1 57 57 CYS H H 1 7.795 0.020 . . . . . A 57 CYS H . 19880 4 571 . 1 1 57 57 CYS HA H 1 4.401 0.020 . . . . . A 57 CYS HA . 19880 4 572 . 1 1 57 57 CYS HB2 H 1 3.056 0.020 . . . . . A 57 CYS HB2 . 19880 4 573 . 1 1 57 57 CYS HB3 H 1 3.167 0.020 . . . . . A 57 CYS HB3 . 19880 4 574 . 1 1 57 57 CYS CA C 13 56.590 0.300 . . . . . A 57 CYS CA . 19880 4 575 . 1 1 57 57 CYS CB C 13 47.191 0.300 . . . . . A 57 CYS CB . 19880 4 576 . 1 1 57 57 CYS N N 15 124.031 0.300 . . . . . A 57 CYS N . 19880 4 stop_ save_