data_34868 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34868 _Entry.Title ; Solution NMR structure of the peptidyl carrier domain TomAPCP from the Tomaymycin non-ribosomal peptide synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-03 _Entry.Accession_date 2023-10-03 _Entry.Last_release_date 2023-12-15 _Entry.Original_release_date 2023-12-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 M. Karanth M. N. . . 34868 2 J. Kirkpatrick J. P. . . 34868 3 T. Carlomagno T. . . . 34868 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BIOSYNTHETIC PROTEIN' . 34868 Donor . 34868 'Non-ribosomal peptide synthetase' . 34868 PCP . 34868 Tomaymycin . 34868 phosphopantetheine . 34868 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 34868 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 679 34868 '15N chemical shifts' 97 34868 '1H chemical shifts' 1140 34868 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-06-20 . original BMRB . 34868 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8QPY 'BMRB Entry Tracking System' 34868 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34868 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38896613 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 10 _Citation.Journal_issue 25 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _Citation.Journal_CSD 0353 _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 eadm9404 _Citation.Page_last eadm9404 _Citation.Year 2024 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Karanth M. N. . . 34868 1 2 J. Kirkpatrick J. P. . . 34868 1 3 J. Krausze J. . . . 34868 1 4 S. Schmelz S. . . . 34868 1 5 A. Scrima A. . . . 34868 1 6 T. Carlomagno T. . . . 34868 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34868 _Assembly.ID 1 _Assembly.Name 'Carrier domain-containing protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A A yes . . . . . . 34868 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34868 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GPMATAVQNPLETVVLQAWK DISGADDFTTTDSFLGHGGN XLHFVQLASRLQKIFGVEVS TEDVFRHGTVEQLARFVEQS RDTGRNPAAQTQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10380.378 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; First four residues (GPMA) in the protein are from cloning artifacts. Therefore, the appropriate residue numbering has the first residue (G) designated as residue-number '-3', so that the fifth residue has residue-number '1'. A special modified residue SPP is designated for the serine residue covalently linked to a 4'-phosphopantetheine prosthetic group. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -3 GLY . 34868 1 2 -2 PRO . 34868 1 3 -1 MET . 34868 1 4 0 ALA . 34868 1 5 1 THR . 34868 1 6 2 ALA . 34868 1 7 3 VAL . 34868 1 8 4 GLN . 34868 1 9 5 ASN . 34868 1 10 6 PRO . 34868 1 11 7 LEU . 34868 1 12 8 GLU . 34868 1 13 9 THR . 34868 1 14 10 VAL . 34868 1 15 11 VAL . 34868 1 16 12 LEU . 34868 1 17 13 GLN . 34868 1 18 14 ALA . 34868 1 19 15 TRP . 34868 1 20 16 LYS . 34868 1 21 17 ASP . 34868 1 22 18 ILE . 34868 1 23 19 SER . 34868 1 24 20 GLY . 34868 1 25 21 ALA . 34868 1 26 22 ASP . 34868 1 27 23 ASP . 34868 1 28 24 PHE . 34868 1 29 25 THR . 34868 1 30 26 THR . 34868 1 31 27 THR . 34868 1 32 28 ASP . 34868 1 33 29 SER . 34868 1 34 30 PHE . 34868 1 35 31 LEU . 34868 1 36 32 GLY . 34868 1 37 33 HIS . 34868 1 38 34 GLY . 34868 1 39 35 GLY . 34868 1 40 36 ASN . 34868 1 41 37 4HH . 34868 1 42 38 LEU . 34868 1 43 39 HIS . 34868 1 44 40 PHE . 34868 1 45 41 VAL . 34868 1 46 42 GLN . 34868 1 47 43 LEU . 34868 1 48 44 ALA . 34868 1 49 45 SER . 34868 1 50 46 ARG . 34868 1 51 47 LEU . 34868 1 52 48 GLN . 34868 1 53 49 LYS . 34868 1 54 50 ILE . 34868 1 55 51 PHE . 34868 1 56 52 GLY . 34868 1 57 53 VAL . 34868 1 58 54 GLU . 34868 1 59 55 VAL . 34868 1 60 56 SER . 34868 1 61 57 THR . 34868 1 62 58 GLU . 34868 1 63 59 ASP . 34868 1 64 60 VAL . 34868 1 65 61 PHE . 34868 1 66 62 ARG . 34868 1 67 63 HIS . 34868 1 68 64 GLY . 34868 1 69 65 THR . 34868 1 70 66 VAL . 34868 1 71 67 GLU . 34868 1 72 68 GLN . 34868 1 73 69 LEU . 34868 1 74 70 ALA . 34868 1 75 71 ARG . 34868 1 76 72 PHE . 34868 1 77 73 VAL . 34868 1 78 74 GLU . 34868 1 79 75 GLN . 34868 1 80 76 SER . 34868 1 81 77 ARG . 34868 1 82 78 ASP . 34868 1 83 79 THR . 34868 1 84 80 GLY . 34868 1 85 81 ARG . 34868 1 86 82 ASN . 34868 1 87 83 PRO . 34868 1 88 84 ALA . 34868 1 89 85 ALA . 34868 1 90 86 GLN . 34868 1 91 87 THR . 34868 1 92 88 GLN . 34868 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34868 1 . PRO 2 2 34868 1 . MET 3 3 34868 1 . ALA 4 4 34868 1 . THR 5 5 34868 1 . ALA 6 6 34868 1 . VAL 7 7 34868 1 . GLN 8 8 34868 1 . ASN 9 9 34868 1 . PRO 10 10 34868 1 . LEU 11 11 34868 1 . GLU 12 12 34868 1 . THR 13 13 34868 1 . VAL 14 14 34868 1 . VAL 15 15 34868 1 . LEU 16 16 34868 1 . GLN 17 17 34868 1 . ALA 18 18 34868 1 . TRP 19 19 34868 1 . LYS 20 20 34868 1 . ASP 21 21 34868 1 . ILE 22 22 34868 1 . SER 23 23 34868 1 . GLY 24 24 34868 1 . ALA 25 25 34868 1 . ASP 26 26 34868 1 . ASP 27 27 34868 1 . PHE 28 28 34868 1 . THR 29 29 34868 1 . THR 30 30 34868 1 . THR 31 31 34868 1 . ASP 32 32 34868 1 . SER 33 33 34868 1 . PHE 34 34 34868 1 . LEU 35 35 34868 1 . GLY 36 36 34868 1 . HIS 37 37 34868 1 . GLY 38 38 34868 1 . GLY 39 39 34868 1 . ASN 40 40 34868 1 . 4HH 41 41 34868 1 . LEU 42 42 34868 1 . HIS 43 43 34868 1 . PHE 44 44 34868 1 . VAL 45 45 34868 1 . GLN 46 46 34868 1 . LEU 47 47 34868 1 . ALA 48 48 34868 1 . SER 49 49 34868 1 . ARG 50 50 34868 1 . LEU 51 51 34868 1 . GLN 52 52 34868 1 . LYS 53 53 34868 1 . ILE 54 54 34868 1 . PHE 55 55 34868 1 . GLY 56 56 34868 1 . VAL 57 57 34868 1 . GLU 58 58 34868 1 . VAL 59 59 34868 1 . SER 60 60 34868 1 . THR 61 61 34868 1 . GLU 62 62 34868 1 . ASP 63 63 34868 1 . VAL 64 64 34868 1 . PHE 65 65 34868 1 . ARG 66 66 34868 1 . HIS 67 67 34868 1 . GLY 68 68 34868 1 . THR 69 69 34868 1 . VAL 70 70 34868 1 . GLU 71 71 34868 1 . GLN 72 72 34868 1 . LEU 73 73 34868 1 . ALA 74 74 34868 1 . ARG 75 75 34868 1 . PHE 76 76 34868 1 . VAL 77 77 34868 1 . GLU 78 78 34868 1 . GLN 79 79 34868 1 . SER 80 80 34868 1 . ARG 81 81 34868 1 . ASP 82 82 34868 1 . THR 83 83 34868 1 . GLY 84 84 34868 1 . ARG 85 85 34868 1 . ASN 86 86 34868 1 . PRO 87 87 34868 1 . ALA 88 88 34868 1 . ALA 89 89 34868 1 . GLN 90 90 34868 1 . THR 91 91 34868 1 . GLN 92 92 34868 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 34868 _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_1 . 68263 organism . 'Streptomyces regensis' 'Streptomyces regensis' . . Bacteria . Streptomyces regensis . FH6421 . . . . . . . . . ADK77_03950 . 34868 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 34868 _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_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34868 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_4HH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_4HH _Chem_comp.Entry_ID 34868 _Chem_comp.ID 4HH _Chem_comp.Provenance PDB _Chem_comp.Name ; O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine ; _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code 4HH _Chem_comp.PDB_code 4HH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 4HH _Chem_comp.Number_atoms_all 56 _Chem_comp.Number_atoms_nh 28 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/m0/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _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 'C14 H28 N3 O9 P S' _Chem_comp.Formula_weight 445.426 _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 yes _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2N6Y _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 CC(C)(COP(=O)(O)OCC(C(=O)O)N)C(C(=O)NCCC(=O)NCCS)O SMILES 'OpenEye OEToolkits' 1.7.6 34868 4HH CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCS)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 34868 4HH CC(C)(CO[P](O)(=O)OC[C@H](N)C(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS SMILES_CANONICAL CACTVS 3.385 34868 4HH CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(=O)NCCC(=O)NCCS SMILES CACTVS 3.385 34868 4HH ; InChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/m0/s1 ; InChI InChI 1.03 34868 4HH JVRAFVIBQUUZKZ-ONGXEEELSA-N InChIKey InChI 1.03 34868 4HH O=C(O)C(N)COP(O)(=O)OCC(C)(C(C(=O)NCCC(=O)NCCS)O)C SMILES ACDLabs 12.01 34868 4HH 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)-2-azanyl-3-[[(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidanyl-phosphoryl]oxy-propanoic acid ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 34868 4HH ; O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine ; 'SYSTEMATIC NAME' ACDLabs 12.01 34868 4HH 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 O O O O . O . . N 0 . . . 1 N N . . . . -5.653 . -24.863 . 12.678 . -8.016 2.933 -0.134 1 . 34868 4HH C C C C . C . . N 0 . . . 1 N N . . . . -4.587 . -25.451 . 12.918 . -6.880 3.206 0.175 2 . 34868 4HH CA CA CA CA . C . . S 0 . . . 1 N N . . . . -3.972 . -26.430 . 11.926 . -5.978 2.142 0.747 3 . 34868 4HH N N N N . N . . N 0 . . . 1 N N . . . . -2.674 . -26.844 . 12.438 . -6.794 1.039 1.271 4 . 34868 4HH CB CB CB CB . C . . N 0 . . . 1 N N . . . . -4.859 . -27.646 . 11.754 . -5.051 1.615 -0.350 5 . 34868 4HH OG OG OG OG . O . . N 0 . . . 1 N N . . . . -5.046 . -28.245 . 13.029 . -4.119 0.692 0.217 6 . 34868 4HH CJ CJ CJ CJ . C . . N 0 . . . 1 N N . . . . -7.731 . -27.457 . 13.405 . -1.220 -2.014 -0.223 7 . 34868 4HH CK CK CK CK . C . . N 0 . . . 1 N N . . . . -9.203 . -27.048 . 13.235 . -0.683 -2.874 0.923 8 . 34868 4HH CL1 CL1 CL1 CL1 . C . . N 0 . . . 1 N N . . . . -9.658 . -27.382 . 11.805 . -0.059 -1.971 1.989 9 . 34868 4HH CL2 CL2 CL2 CL2 . C . . N 0 . . . 1 N N . . . . -9.219 . -25.539 . 13.403 . -1.831 -3.675 1.541 10 . 34868 4HH CL3 CL3 CL3 CL3 . C . . N 0 . . . 1 N N . . . . -11.584 . -27.697 . 14.249 . 1.439 -3.055 -0.347 11 . 34868 4HH CM CM CM CM . C . . R 0 . . . 1 N N . . . . -10.035 . -27.850 . 14.295 . 0.377 -3.836 0.384 12 . 34868 4HH OM OM OM OM . O . . N 0 . . . 1 N N . . . . -9.582 . -27.552 . 15.617 . -0.234 -4.765 -0.513 13 . 34868 4HH NN NN NN NN . N . . N 0 . . . 1 N N . . . . -12.141 . -26.647 . 13.665 . 2.297 -2.276 0.342 14 . 34868 4HH ON ON ON ON . O . . N 0 . . . 1 N N . . . . -12.266 . -28.550 . 14.779 . 1.522 -3.128 -1.554 15 . 34868 4HH P P P P . P . . N 0 . . . 1 N N . . . . -6.153 . -29.376 . 13.218 . -2.991 -0.059 -0.652 16 . 34868 4HH O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . -6.088 . -29.804 . 14.623 . -1.947 1.023 -1.227 17 . 34868 4HH O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . -5.825 . -30.483 . 12.313 . -3.631 -0.774 -1.779 18 . 34868 4HH O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . -7.489 . -28.796 . 12.929 . -2.211 -1.115 0.280 19 . 34868 4HH CO CO CO CO . C . . N 0 . . . 1 N N . . . . -12.431 . -25.381 . 14.395 . 3.260 -1.437 -0.375 20 . 34868 4HH CP CP CP CP . C . . N 0 . . . 1 N N . . . . -12.724 . -24.196 . 13.475 . 4.108 -0.659 0.634 21 . 34868 4HH CQ CQ CQ CQ . C . . N 0 . . . 1 N N . . . . -13.044 . -22.922 . 14.250 . 5.099 0.205 -0.103 22 . 34868 4HH CS CS CS CS . C . . N 0 . . . 1 N N . . . . -13.556 . -21.038 . 12.782 . 6.920 1.823 -0.131 23 . 34868 4HH CT CT CT CT . C . . N 0 . . . 1 N N . . . . -12.764 . -20.109 . 11.874 . 7.768 2.601 0.878 24 . 34868 4HH NR NR NR NR . N . . N 0 . . . 1 N N . . . . -12.693 . -21.791 . 13.673 . 5.957 0.984 0.586 25 . 34868 4HH OR OR OR OR . O . . N 0 . . . 1 N N . . . . -13.590 . -22.968 . 15.336 . 5.125 0.199 -1.315 26 . 34868 4HH SU SU SU SU . S . . N 0 . . . 1 N N . . . . -13.815 . -19.210 . 10.709 . 8.961 3.641 -0.009 27 . 34868 4HH HA HA HA HA . H . . N 0 . . . 1 N N . . . . -3.851 . -25.929 . 10.954 . -5.381 2.568 1.554 28 . 34868 4HH H H H H . H . . N 0 . . . 1 N N . . . . -2.088 . -26.041 . 12.552 . -7.357 0.627 0.542 29 . 34868 4HH H2 H2 H2 H2 . H . . N 0 . . . 1 N Y . . . . -2.793 . -27.297 . 13.321 . -6.216 0.343 1.718 30 . 34868 4HH HB3 HB3 HB3 HB3 . H . . N 0 . . . 1 N N . . . . -5.831 . -27.342 . 11.340 . -5.643 1.111 -1.114 31 . 34868 4HH HB2 HB2 HB2 HB2 . H . . N 0 . . . 1 N N . . . . -4.379 . -28.364 . 11.073 . -4.510 2.448 -0.800 32 . 34868 4HH HJ3 HJ3 HJ3 HJ3 . H . . N 0 . . . 1 N N . . . . -7.468 . -27.405 . 14.472 . -0.403 -1.444 -0.663 33 . 34868 4HH HJ2 HJ2 HJ2 HJ2 . H . . N 0 . . . 1 N N . . . . -7.099 . -26.758 . 12.837 . -1.665 -2.657 -0.982 34 . 34868 4HH HL13 HL13 HL13 HL13 . H . . N 0 . . . 0 N N . . . . -9.653 . -28.473 . 11.663 . 0.407 -2.587 2.758 35 . 34868 4HH HL12 HL12 HL12 HL12 . H . . N 0 . . . 0 N N . . . . -10.676 . -26.996 . 11.645 . 0.695 -1.333 1.528 36 . 34868 4HH HL11 HL11 HL11 HL11 . H . . N 0 . . . 0 N N . . . . -8.971 . -26.916 . 11.083 . -0.834 -1.351 2.439 37 . 34868 4HH HL21 HL21 HL21 HL21 . H . . N 0 . . . 0 N N . . . . -8.896 . -25.280 . 14.422 . -2.352 -4.226 0.758 38 . 34868 4HH HL23 HL23 HL23 HL23 . H . . N 0 . . . 0 N N . . . . -8.534 . -25.082 . 12.674 . -1.432 -4.375 2.275 39 . 34868 4HH HL22 HL22 HL22 HL22 . H . . N 0 . . . 0 N N . . . . -10.239 . -25.162 . 13.235 . -2.527 -2.993 2.030 40 . 34868 4HH HL3 HL3 HL3 HL3 . H . . N 0 . . . 1 N N . . . . -9.827 . -28.913 . 14.103 . 0.831 -4.378 1.214 41 . 34868 4HH HM HM HM HM . H . . N 0 . . . 1 N N . . . . -10.282 . -27.720 . 16.237 . -0.659 -4.352 -1.278 42 . 34868 4HH HN HN HN HN . H . . N 0 . . . 1 N N . . . . -12.376 . -26.706 . 12.695 . 2.276 -2.271 1.311 43 . 34868 4HH H4 H4 H4 H4 . H . . N 0 . . . 1 N N . . . . -5.844 . -30.721 . 14.664 . -1.489 1.530 -0.542 44 . 34868 4HH HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 N N . . . . -11.559 . -25.131 . 15.017 . 3.908 -2.067 -0.984 45 . 34868 4HH HO3 HO3 HO3 HO3 . H . . N 0 . . . 1 N N . . . . -13.307 . -25.545 . 15.040 . 2.726 -0.737 -1.016 46 . 34868 4HH HP3 HP3 HP3 HP3 . H . . N 0 . . . 1 N N . . . . -13.585 . -24.448 . 12.838 . 3.460 -0.029 1.244 47 . 34868 4HH HP2 HP2 HP2 HP2 . H . . N 0 . . . 1 N N . . . . -11.842 . -24.013 . 12.843 . 4.642 -1.359 1.276 48 . 34868 4HH HS2 HS2 HS2 HS2 . H . . N 0 . . . 1 N N . . . . -14.252 . -20.437 . 13.385 . 6.385 2.523 -0.772 49 . 34868 4HH HS3 HS3 HS3 HS3 . H . . N 0 . . . 1 N N . . . . -14.126 . -21.743 . 12.159 . 7.568 1.193 -0.740 50 . 34868 4HH HT3 HT3 HT3 HT3 . H . . N 0 . . . 1 N N . . . . -12.039 . -20.708 . 11.304 . 7.120 3.231 1.488 51 . 34868 4HH HT2 HT2 HT2 HT2 . H . . N 0 . . . 1 N N . . . . -12.227 . -19.380 . 12.499 . 8.302 1.901 1.520 52 . 34868 4HH HR HR HR HR . H . . N 0 . . . 1 N N . . . . -11.779 . -21.431 . 13.860 . 5.936 0.989 1.555 53 . 34868 4HH HU HU HU HU . H . . N 0 . . . 1 N N . . . . -12.946 . -18.498 . 10.055 . 9.625 4.255 0.986 54 . 34868 4HH OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . . . . . . . -6.419 4.455 0.003 55 . 34868 4HH HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . . . . . . . -7.033 5.102 -0.371 56 . 34868 4HH 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 SU CT N N 1 . 34868 4HH 2 . SING CB CA N N 2 . 34868 4HH 3 . SING CB OG N N 3 . 34868 4HH 4 . SING CL1 CK N N 4 . 34868 4HH 5 . SING CT CS N N 5 . 34868 4HH 6 . SING CA N N N 6 . 34868 4HH 7 . SING CA C N N 7 . 34868 4HH 8 . DOUB O2P P N N 8 . 34868 4HH 9 . DOUB O C N N 9 . 34868 4HH 10 . SING CS NR N N 10 . 34868 4HH 11 . SING O3P P N N 11 . 34868 4HH 12 . SING O3P CJ N N 12 . 34868 4HH 13 . SING OG P N N 13 . 34868 4HH 14 . SING P O1P N N 14 . 34868 4HH 15 . SING CK CL2 N N 15 . 34868 4HH 16 . SING CK CJ N N 16 . 34868 4HH 17 . SING CK CM N N 17 . 34868 4HH 18 . SING CP CQ N N 18 . 34868 4HH 19 . SING CP CO N N 19 . 34868 4HH 20 . SING NN CL3 N N 20 . 34868 4HH 21 . SING NN CO N N 21 . 34868 4HH 22 . SING NR CQ N N 22 . 34868 4HH 23 . SING CL3 CM N N 23 . 34868 4HH 24 . DOUB CL3 ON N N 24 . 34868 4HH 25 . DOUB CQ OR N N 25 . 34868 4HH 26 . SING CM OM N N 26 . 34868 4HH 27 . SING CA HA N N 27 . 34868 4HH 28 . SING N H N N 28 . 34868 4HH 29 . SING N H2 N N 29 . 34868 4HH 30 . SING CB HB3 N N 30 . 34868 4HH 31 . SING CB HB2 N N 31 . 34868 4HH 32 . SING CJ HJ3 N N 32 . 34868 4HH 33 . SING CJ HJ2 N N 33 . 34868 4HH 34 . SING CL1 HL13 N N 34 . 34868 4HH 35 . SING CL1 HL12 N N 35 . 34868 4HH 36 . SING CL1 HL11 N N 36 . 34868 4HH 37 . SING CL2 HL21 N N 37 . 34868 4HH 38 . SING CL2 HL23 N N 38 . 34868 4HH 39 . SING CL2 HL22 N N 39 . 34868 4HH 40 . SING CM HL3 N N 40 . 34868 4HH 41 . SING OM HM N N 41 . 34868 4HH 42 . SING NN HN N N 42 . 34868 4HH 43 . SING O1P H4 N N 43 . 34868 4HH 44 . SING CO HO2 N N 44 . 34868 4HH 45 . SING CO HO3 N N 45 . 34868 4HH 46 . SING CP HP3 N N 46 . 34868 4HH 47 . SING CP HP2 N N 47 . 34868 4HH 48 . SING CS HS2 N N 48 . 34868 4HH 49 . SING CS HS3 N N 49 . 34868 4HH 50 . SING CT HT3 N N 50 . 34868 4HH 51 . SING CT HT2 N N 51 . 34868 4HH 52 . SING NR HR N N 52 . 34868 4HH 53 . SING SU HU N N 53 . 34868 4HH 54 . SING C OXT N N 54 . 34868 4HH 55 . SING OXT HXT N N 55 . 34868 4HH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34868 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-13C; U-15N] APCP, 50 mM sodium phosphate, 150 mM sodium chloride, 5 mM DTT, 10 v/v [U-2H] D2O, 0.02 % w/v sodium azide, 90% H2O/10% D2O ; _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 APCP '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM 10 . . . 34868 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34868 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 34868 1 4 DTT 'natural abundance' . . . . . . 5 . . mM 0.1 . . . 34868 1 5 D2O [U-2H] . . . . . . 10 . . v/v 0.5 . . . 34868 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' 0.002 . . . 34868 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34868 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-13C; U-15N] APCP, 50 mM sodium phosphate, 150 mM sodium chloride, 5 mM DTT, 0.02 w/v sodium azide, 100 % v/v [U-2H] D2O, 100% D2O ; _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 APCP '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM 10 . . . 34868 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34868 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 34868 2 4 DTT 'natural abundance' . . . . . . 5 . . mM 0.1 . . . 34868 2 5 D2O [U-2H] . . . . . . 100 . . '% v/v' 5 . . . 34868 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v 0.5 . . . 34868 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 34868 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 265 . mM 34868 1 pH 7.0 . pH 34868 1 pressure 1 . atm 34868 1 temperature 308 . K 34868 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34868 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34868 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34868 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34868 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34868 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34868 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34868 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34868 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34868 3 'data analysis' . 34868 3 'peak picking' . 34868 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34868 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34868 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34868 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34868 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version 1.21 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34868 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34868 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34868 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34868 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34868 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34868 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34868 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34868 1 3 NMR_spectrometer_3 Bruker 'AVANCE III HD' . 850 . . . 34868 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 34868 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34868 1 12 '2D hbcbcgcdhdgp' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 13 '2D hbcbcgcdcehegp' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34868 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34868 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34868 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34868 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . 34868 1 H 1 water protons . . . . ppm 4.773 internal indirect 1.0 . . . . . 34868 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 34868 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34868 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34868 1 2 '3D HNCO' . . . 34868 1 3 '3D HNCA' . . . 34868 1 4 '3D CBCA(CO)NH' . . . 34868 1 5 '3D HNCACB' . . . 34868 1 6 '3D H(CCO)NH' . . . 34868 1 7 '3D C(CO)NH' . . . 34868 1 8 '3D HCCH-TOCSY' . . . 34868 1 9 '3D HBHA(CO)NH' . . . 34868 1 10 '3D 1H-15N NOESY' . . . 34868 1 11 '2D 1H-13C HSQC' . . . 34868 1 12 '2D hbcbcgcdhdgp' . . . 34868 1 13 '2D hbcbcgcdcehegp' . . . 34868 1 14 '2D 1H-13C HSQC' . . . 34868 1 15 '3D 1H-13C NOESY' . . . 34868 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 MET HA H 1 4.469 0.002 . 1 . . . . A -1 MET HA . 34868 1 2 . 1 . 1 3 3 MET HB2 H 1 2.073 0.013 . 2 . . . . A -1 MET HB2 . 34868 1 3 . 1 . 1 3 3 MET HB3 H 1 2.053 0.016 . 2 . . . . A -1 MET HB3 . 34868 1 4 . 1 . 1 3 3 MET HG2 H 1 2.609 0.003 . 1 . . . . A -1 MET HG2 . 34868 1 5 . 1 . 1 3 3 MET HG3 H 1 2.609 0.003 . 1 . . . . A -1 MET HG3 . 34868 1 6 . 1 . 1 3 3 MET C C 13 176.008 0.000 . 1 . . . . A -1 MET C . 34868 1 7 . 1 . 1 3 3 MET CA C 13 55.493 0.040 . 1 . . . . A -1 MET CA . 34868 1 8 . 1 . 1 3 3 MET CB C 13 33.054 0.027 . 1 . . . . A -1 MET CB . 34868 1 9 . 1 . 1 3 3 MET CG C 13 32.048 0.050 . 1 . . . . A -1 MET CG . 34868 1 10 . 1 . 1 4 4 ALA H H 1 8.338 0.015 . 1 . . . . A 0 ALA H . 34868 1 11 . 1 . 1 4 4 ALA HA H 1 4.375 0.006 . 1 . . . . A 0 ALA HA . 34868 1 12 . 1 . 1 4 4 ALA HB1 H 1 1.408 0.013 . 1 . . . . A 0 ALA HB1 . 34868 1 13 . 1 . 1 4 4 ALA HB2 H 1 1.408 0.013 . 1 . . . . A 0 ALA HB2 . 34868 1 14 . 1 . 1 4 4 ALA HB3 H 1 1.408 0.013 . 1 . . . . A 0 ALA HB3 . 34868 1 15 . 1 . 1 4 4 ALA C C 13 177.746 0.000 . 1 . . . . A 0 ALA C . 34868 1 16 . 1 . 1 4 4 ALA CA C 13 52.682 0.032 . 1 . . . . A 0 ALA CA . 34868 1 17 . 1 . 1 4 4 ALA CB C 13 19.313 0.059 . 1 . . . . A 0 ALA CB . 34868 1 18 . 1 . 1 4 4 ALA N N 15 125.578 0.022 . 1 . . . . A 0 ALA N . 34868 1 19 . 1 . 1 5 5 THR H H 1 8.017 0.015 . 1 . . . . A 1 THR H . 34868 1 20 . 1 . 1 5 5 THR HA H 1 4.295 0.020 . 1 . . . . A 1 THR HA . 34868 1 21 . 1 . 1 5 5 THR HB H 1 4.214 0.012 . 1 . . . . A 1 THR HB . 34868 1 22 . 1 . 1 5 5 THR HG21 H 1 1.210 0.001 . 1 . . . . A 1 THR HG21 . 34868 1 23 . 1 . 1 5 5 THR HG22 H 1 1.210 0.001 . 1 . . . . A 1 THR HG22 . 34868 1 24 . 1 . 1 5 5 THR HG23 H 1 1.210 0.001 . 1 . . . . A 1 THR HG23 . 34868 1 25 . 1 . 1 5 5 THR C C 13 174.168 0.000 . 1 . . . . A 1 THR C . 34868 1 26 . 1 . 1 5 5 THR CA C 13 61.726 0.038 . 1 . . . . A 1 THR CA . 34868 1 27 . 1 . 1 5 5 THR CB C 13 69.837 0.024 . 1 . . . . A 1 THR CB . 34868 1 28 . 1 . 1 5 5 THR CG2 C 13 21.700 0.025 . 1 . . . . A 1 THR CG2 . 34868 1 29 . 1 . 1 5 5 THR N N 15 113.075 0.031 . 1 . . . . A 1 THR N . 34868 1 30 . 1 . 1 6 6 ALA H H 1 8.203 0.016 . 1 . . . . A 2 ALA H . 34868 1 31 . 1 . 1 6 6 ALA HA H 1 4.377 0.004 . 1 . . . . A 2 ALA HA . 34868 1 32 . 1 . 1 6 6 ALA HB1 H 1 1.389 0.004 . 1 . . . . A 2 ALA HB1 . 34868 1 33 . 1 . 1 6 6 ALA HB2 H 1 1.389 0.004 . 1 . . . . A 2 ALA HB2 . 34868 1 34 . 1 . 1 6 6 ALA HB3 H 1 1.389 0.004 . 1 . . . . A 2 ALA HB3 . 34868 1 35 . 1 . 1 6 6 ALA C C 13 177.422 0.000 . 1 . . . . A 2 ALA C . 34868 1 36 . 1 . 1 6 6 ALA CA C 13 52.483 0.048 . 1 . . . . A 2 ALA CA . 34868 1 37 . 1 . 1 6 6 ALA CB C 13 19.430 0.027 . 1 . . . . A 2 ALA CB . 34868 1 38 . 1 . 1 6 6 ALA N N 15 126.357 0.026 . 1 . . . . A 2 ALA N . 34868 1 39 . 1 . 1 7 7 VAL H H 1 8.024 0.014 . 1 . . . . A 3 VAL H . 34868 1 40 . 1 . 1 7 7 VAL HA H 1 4.106 0.005 . 1 . . . . A 3 VAL HA . 34868 1 41 . 1 . 1 7 7 VAL HB H 1 2.068 0.007 . 1 . . . . A 3 VAL HB . 34868 1 42 . 1 . 1 7 7 VAL HG11 H 1 0.933 0.002 . 2 . . . . A 3 VAL HG11 . 34868 1 43 . 1 . 1 7 7 VAL HG12 H 1 0.933 0.002 . 2 . . . . A 3 VAL HG12 . 34868 1 44 . 1 . 1 7 7 VAL HG13 H 1 0.933 0.002 . 2 . . . . A 3 VAL HG13 . 34868 1 45 . 1 . 1 7 7 VAL HG21 H 1 0.931 0.002 . 2 . . . . A 3 VAL HG21 . 34868 1 46 . 1 . 1 7 7 VAL HG22 H 1 0.931 0.002 . 2 . . . . A 3 VAL HG22 . 34868 1 47 . 1 . 1 7 7 VAL HG23 H 1 0.931 0.002 . 2 . . . . A 3 VAL HG23 . 34868 1 48 . 1 . 1 7 7 VAL C C 13 176.008 0.000 . 1 . . . . A 3 VAL C . 34868 1 49 . 1 . 1 7 7 VAL CA C 13 62.106 0.026 . 1 . . . . A 3 VAL CA . 34868 1 50 . 1 . 1 7 7 VAL CB C 13 32.817 0.053 . 1 . . . . A 3 VAL CB . 34868 1 51 . 1 . 1 7 7 VAL CG1 C 13 20.563 0.016 . 2 . . . . A 3 VAL CG1 . 34868 1 52 . 1 . 1 7 7 VAL CG2 C 13 21.295 0.064 . 2 . . . . A 3 VAL CG2 . 34868 1 53 . 1 . 1 7 7 VAL N N 15 119.251 0.022 . 1 . . . . A 3 VAL N . 34868 1 54 . 1 . 1 8 8 GLN H H 1 8.365 0.013 . 1 . . . . A 4 GLN H . 34868 1 55 . 1 . 1 8 8 GLN HA H 1 4.315 0.005 . 1 . . . . A 4 GLN HA . 34868 1 56 . 1 . 1 8 8 GLN HB2 H 1 1.982 0.015 . 2 . . . . A 4 GLN HB2 . 34868 1 57 . 1 . 1 8 8 GLN HB3 H 1 2.025 0.016 . 2 . . . . A 4 GLN HB3 . 34868 1 58 . 1 . 1 8 8 GLN HG2 H 1 2.332 0.004 . 1 . . . . A 4 GLN HG2 . 34868 1 59 . 1 . 1 8 8 GLN HG3 H 1 2.332 0.004 . 1 . . . . A 4 GLN HG3 . 34868 1 60 . 1 . 1 8 8 GLN HE21 H 1 7.572 0.000 . 1 . . . . A 4 GLN HE21 . 34868 1 61 . 1 . 1 8 8 GLN HE22 H 1 6.800 0.000 . 1 . . . . A 4 GLN HE22 . 34868 1 62 . 1 . 1 8 8 GLN C C 13 175.388 0.000 . 1 . . . . A 4 GLN C . 34868 1 63 . 1 . 1 8 8 GLN CA C 13 55.830 0.019 . 1 . . . . A 4 GLN CA . 34868 1 64 . 1 . 1 8 8 GLN CB C 13 29.900 0.067 . 1 . . . . A 4 GLN CB . 34868 1 65 . 1 . 1 8 8 GLN CG C 13 33.991 0.038 . 1 . . . . A 4 GLN CG . 34868 1 66 . 1 . 1 8 8 GLN N N 15 124.202 0.021 . 1 . . . . A 4 GLN N . 34868 1 67 . 1 . 1 8 8 GLN NE2 N 15 112.051 0.048 . 1 . . . . A 4 GLN NE2 . 34868 1 68 . 1 . 1 9 9 ASN H H 1 8.643 0.015 . 1 . . . . A 5 ASN H . 34868 1 69 . 1 . 1 9 9 ASN HA H 1 4.990 0.005 . 1 . . . . A 5 ASN HA . 34868 1 70 . 1 . 1 9 9 ASN HB2 H 1 2.858 0.006 . 2 . . . . A 5 ASN HB2 . 34868 1 71 . 1 . 1 9 9 ASN HB3 H 1 2.749 0.000 . 2 . . . . A 5 ASN HB3 . 34868 1 72 . 1 . 1 9 9 ASN HD21 H 1 6.981 0.000 . 1 . . . . A 5 ASN HD21 . 34868 1 73 . 1 . 1 9 9 ASN HD22 H 1 7.654 0.000 . 1 . . . . A 5 ASN HD22 . 34868 1 74 . 1 . 1 9 9 ASN CA C 13 51.293 0.047 . 1 . . . . A 5 ASN CA . 34868 1 75 . 1 . 1 9 9 ASN CB C 13 38.965 0.028 . 1 . . . . A 5 ASN CB . 34868 1 76 . 1 . 1 9 9 ASN N N 15 122.340 0.011 . 1 . . . . A 5 ASN N . 34868 1 77 . 1 . 1 9 9 ASN ND2 N 15 112.797 0.002 . 1 . . . . A 5 ASN ND2 . 34868 1 78 . 1 . 1 10 10 PRO HA H 1 4.469 0.019 . 1 . . . . A 6 PRO HA . 34868 1 79 . 1 . 1 10 10 PRO HB2 H 1 1.953 0.007 . 2 . . . . A 6 PRO HB2 . 34868 1 80 . 1 . 1 10 10 PRO HB3 H 1 2.311 0.003 . 2 . . . . A 6 PRO HB3 . 34868 1 81 . 1 . 1 10 10 PRO HG2 H 1 2.019 0.003 . 1 . . . . A 6 PRO HG2 . 34868 1 82 . 1 . 1 10 10 PRO HG3 H 1 2.020 0.003 . 1 . . . . A 6 PRO HG3 . 34868 1 83 . 1 . 1 10 10 PRO HD2 H 1 3.585 0.004 . 2 . . . . A 6 PRO HD2 . 34868 1 84 . 1 . 1 10 10 PRO HD3 H 1 3.581 0.009 . 2 . . . . A 6 PRO HD3 . 34868 1 85 . 1 . 1 10 10 PRO C C 13 176.877 0.000 . 1 . . . . A 6 PRO C . 34868 1 86 . 1 . 1 10 10 PRO CA C 13 63.131 0.028 . 1 . . . . A 6 PRO CA . 34868 1 87 . 1 . 1 10 10 PRO CB C 13 32.267 0.039 . 1 . . . . A 6 PRO CB . 34868 1 88 . 1 . 1 10 10 PRO CG C 13 27.057 0.042 . 1 . . . . A 6 PRO CG . 34868 1 89 . 1 . 1 10 10 PRO CD C 13 49.682 0.016 . 1 . . . . A 6 PRO CD . 34868 1 90 . 1 . 1 11 11 LEU H H 1 8.479 0.013 . 1 . . . . A 7 LEU H . 34868 1 91 . 1 . 1 11 11 LEU HA H 1 4.200 0.005 . 1 . . . . A 7 LEU HA . 34868 1 92 . 1 . 1 11 11 LEU HB2 H 1 1.804 0.004 . 2 . . . . A 7 LEU HB2 . 34868 1 93 . 1 . 1 11 11 LEU HB3 H 1 1.443 0.006 . 2 . . . . A 7 LEU HB3 . 34868 1 94 . 1 . 1 11 11 LEU HG H 1 1.682 0.010 . 1 . . . . A 7 LEU HG . 34868 1 95 . 1 . 1 11 11 LEU HD11 H 1 0.763 0.014 . 2 . . . . A 7 LEU HD11 . 34868 1 96 . 1 . 1 11 11 LEU HD12 H 1 0.763 0.014 . 2 . . . . A 7 LEU HD12 . 34868 1 97 . 1 . 1 11 11 LEU HD13 H 1 0.763 0.014 . 2 . . . . A 7 LEU HD13 . 34868 1 98 . 1 . 1 11 11 LEU HD21 H 1 0.697 0.010 . 2 . . . . A 7 LEU HD21 . 34868 1 99 . 1 . 1 11 11 LEU HD22 H 1 0.697 0.010 . 2 . . . . A 7 LEU HD22 . 34868 1 100 . 1 . 1 11 11 LEU HD23 H 1 0.697 0.010 . 2 . . . . A 7 LEU HD23 . 34868 1 101 . 1 . 1 11 11 LEU CA C 13 58.985 0.039 . 1 . . . . A 7 LEU CA . 34868 1 102 . 1 . 1 11 11 LEU CB C 13 41.648 0.051 . 1 . . . . A 7 LEU CB . 34868 1 103 . 1 . 1 11 11 LEU CG C 13 28.802 0.092 . 1 . . . . A 7 LEU CG . 34868 1 104 . 1 . 1 11 11 LEU CD1 C 13 25.334 0.029 . 2 . . . . A 7 LEU CD1 . 34868 1 105 . 1 . 1 11 11 LEU CD2 C 13 24.736 0.126 . 2 . . . . A 7 LEU CD2 . 34868 1 106 . 1 . 1 11 11 LEU N N 15 120.585 0.021 . 1 . . . . A 7 LEU N . 34868 1 107 . 1 . 1 12 12 GLU H H 1 8.103 0.008 . 1 . . . . A 8 GLU H . 34868 1 108 . 1 . 1 12 12 GLU HA H 1 3.614 0.008 . 1 . . . . A 8 GLU HA . 34868 1 109 . 1 . 1 12 12 GLU HB2 H 1 1.944 0.001 . 2 . . . . A 8 GLU HB2 . 34868 1 110 . 1 . 1 12 12 GLU HB3 H 1 2.244 0.013 . 2 . . . . A 8 GLU HB3 . 34868 1 111 . 1 . 1 12 12 GLU HG2 H 1 2.046 0.018 . 2 . . . . A 8 GLU HG2 . 34868 1 112 . 1 . 1 12 12 GLU HG3 H 1 2.298 0.000 . 2 . . . . A 8 GLU HG3 . 34868 1 113 . 1 . 1 12 12 GLU C C 13 178.390 0.000 . 1 . . . . A 8 GLU C . 34868 1 114 . 1 . 1 12 12 GLU CA C 13 60.151 0.057 . 1 . . . . A 8 GLU CA . 34868 1 115 . 1 . 1 12 12 GLU CB C 13 29.904 0.014 . 1 . . . . A 8 GLU CB . 34868 1 116 . 1 . 1 12 12 GLU CG C 13 37.749 0.027 . 1 . . . . A 8 GLU CG . 34868 1 117 . 1 . 1 12 12 GLU N N 15 118.762 0.049 . 1 . . . . A 8 GLU N . 34868 1 118 . 1 . 1 13 13 THR H H 1 7.835 0.011 . 1 . . . . A 9 THR H . 34868 1 119 . 1 . 1 13 13 THR HA H 1 3.895 0.004 . 1 . . . . A 9 THR HA . 34868 1 120 . 1 . 1 13 13 THR HB H 1 4.280 0.006 . 1 . . . . A 9 THR HB . 34868 1 121 . 1 . 1 13 13 THR HG21 H 1 1.287 0.003 . 1 . . . . A 9 THR HG21 . 34868 1 122 . 1 . 1 13 13 THR HG22 H 1 1.287 0.003 . 1 . . . . A 9 THR HG22 . 34868 1 123 . 1 . 1 13 13 THR HG23 H 1 1.287 0.003 . 1 . . . . A 9 THR HG23 . 34868 1 124 . 1 . 1 13 13 THR C C 13 176.158 0.000 . 1 . . . . A 9 THR C . 34868 1 125 . 1 . 1 13 13 THR CA C 13 66.857 0.060 . 1 . . . . A 9 THR CA . 34868 1 126 . 1 . 1 13 13 THR CB C 13 68.616 0.040 . 1 . . . . A 9 THR CB . 34868 1 127 . 1 . 1 13 13 THR CG2 C 13 22.072 0.036 . 1 . . . . A 9 THR CG2 . 34868 1 128 . 1 . 1 13 13 THR N N 15 113.603 0.033 . 1 . . . . A 9 THR N . 34868 1 129 . 1 . 1 14 14 VAL H H 1 7.446 0.008 . 1 . . . . A 10 VAL H . 34868 1 130 . 1 . 1 14 14 VAL HA H 1 3.804 0.004 . 1 . . . . A 10 VAL HA . 34868 1 131 . 1 . 1 14 14 VAL HB H 1 2.390 0.008 . 1 . . . . A 10 VAL HB . 34868 1 132 . 1 . 1 14 14 VAL HG11 H 1 0.960 0.010 . 2 . . . . A 10 VAL HG11 . 34868 1 133 . 1 . 1 14 14 VAL HG12 H 1 0.960 0.010 . 2 . . . . A 10 VAL HG12 . 34868 1 134 . 1 . 1 14 14 VAL HG13 H 1 0.960 0.010 . 2 . . . . A 10 VAL HG13 . 34868 1 135 . 1 . 1 14 14 VAL HG21 H 1 1.188 0.003 . 2 . . . . A 10 VAL HG21 . 34868 1 136 . 1 . 1 14 14 VAL HG22 H 1 1.188 0.003 . 2 . . . . A 10 VAL HG22 . 34868 1 137 . 1 . 1 14 14 VAL HG23 H 1 1.188 0.003 . 2 . . . . A 10 VAL HG23 . 34868 1 138 . 1 . 1 14 14 VAL C C 13 178.698 0.000 . 1 . . . . A 10 VAL C . 34868 1 139 . 1 . 1 14 14 VAL CA C 13 66.397 0.011 . 1 . . . . A 10 VAL CA . 34868 1 140 . 1 . 1 14 14 VAL CB C 13 32.250 0.035 . 1 . . . . A 10 VAL CB . 34868 1 141 . 1 . 1 14 14 VAL CG1 C 13 22.064 0.017 . 2 . . . . A 10 VAL CG1 . 34868 1 142 . 1 . 1 14 14 VAL CG2 C 13 22.913 0.027 . 2 . . . . A 10 VAL CG2 . 34868 1 143 . 1 . 1 14 14 VAL N N 15 121.094 0.021 . 1 . . . . A 10 VAL N . 34868 1 144 . 1 . 1 15 15 VAL H H 1 8.122 0.011 . 1 . . . . A 11 VAL H . 34868 1 145 . 1 . 1 15 15 VAL HA H 1 3.648 0.007 . 1 . . . . A 11 VAL HA . 34868 1 146 . 1 . 1 15 15 VAL HB H 1 2.364 0.006 . 1 . . . . A 11 VAL HB . 34868 1 147 . 1 . 1 15 15 VAL HG11 H 1 1.267 0.017 . 2 . . . . A 11 VAL HG11 . 34868 1 148 . 1 . 1 15 15 VAL HG12 H 1 1.267 0.017 . 2 . . . . A 11 VAL HG12 . 34868 1 149 . 1 . 1 15 15 VAL HG13 H 1 1.267 0.017 . 2 . . . . A 11 VAL HG13 . 34868 1 150 . 1 . 1 15 15 VAL HG21 H 1 1.237 0.014 . 2 . . . . A 11 VAL HG21 . 34868 1 151 . 1 . 1 15 15 VAL HG22 H 1 1.237 0.014 . 2 . . . . A 11 VAL HG22 . 34868 1 152 . 1 . 1 15 15 VAL HG23 H 1 1.237 0.014 . 2 . . . . A 11 VAL HG23 . 34868 1 153 . 1 . 1 15 15 VAL C C 13 176.776 0.000 . 1 . . . . A 11 VAL C . 34868 1 154 . 1 . 1 15 15 VAL CA C 13 67.336 0.030 . 1 . . . . A 11 VAL CA . 34868 1 155 . 1 . 1 15 15 VAL CB C 13 31.328 0.036 . 1 . . . . A 11 VAL CB . 34868 1 156 . 1 . 1 15 15 VAL CG1 C 13 23.396 0.085 . 2 . . . . A 11 VAL CG1 . 34868 1 157 . 1 . 1 15 15 VAL CG2 C 13 22.676 0.022 . 2 . . . . A 11 VAL CG2 . 34868 1 158 . 1 . 1 15 15 VAL N N 15 120.018 0.044 . 1 . . . . A 11 VAL N . 34868 1 159 . 1 . 1 16 16 LEU H H 1 8.796 0.011 . 1 . . . . A 12 LEU H . 34868 1 160 . 1 . 1 16 16 LEU HA H 1 4.218 0.007 . 1 . . . . A 12 LEU HA . 34868 1 161 . 1 . 1 16 16 LEU HB2 H 1 2.191 0.011 . 2 . . . . A 12 LEU HB2 . 34868 1 162 . 1 . 1 16 16 LEU HB3 H 1 1.692 0.006 . 2 . . . . A 12 LEU HB3 . 34868 1 163 . 1 . 1 16 16 LEU HG H 1 1.691 0.004 . 1 . . . . A 12 LEU HG . 34868 1 164 . 1 . 1 16 16 LEU HD11 H 1 1.096 0.014 . 2 . . . . A 12 LEU HD11 . 34868 1 165 . 1 . 1 16 16 LEU HD12 H 1 1.096 0.014 . 2 . . . . A 12 LEU HD12 . 34868 1 166 . 1 . 1 16 16 LEU HD13 H 1 1.096 0.014 . 2 . . . . A 12 LEU HD13 . 34868 1 167 . 1 . 1 16 16 LEU HD21 H 1 1.126 0.012 . 2 . . . . A 12 LEU HD21 . 34868 1 168 . 1 . 1 16 16 LEU HD22 H 1 1.126 0.012 . 2 . . . . A 12 LEU HD22 . 34868 1 169 . 1 . 1 16 16 LEU HD23 H 1 1.126 0.012 . 2 . . . . A 12 LEU HD23 . 34868 1 170 . 1 . 1 16 16 LEU C C 13 178.233 0.000 . 1 . . . . A 12 LEU C . 34868 1 171 . 1 . 1 16 16 LEU CA C 13 58.747 0.058 . 1 . . . . A 12 LEU CA . 34868 1 172 . 1 . 1 16 16 LEU CB C 13 42.523 0.043 . 1 . . . . A 12 LEU CB . 34868 1 173 . 1 . 1 16 16 LEU CG C 13 27.282 0.055 . 1 . . . . A 12 LEU CG . 34868 1 174 . 1 . 1 16 16 LEU CD1 C 13 25.916 0.039 . 2 . . . . A 12 LEU CD1 . 34868 1 175 . 1 . 1 16 16 LEU CD2 C 13 24.449 0.049 . 2 . . . . A 12 LEU CD2 . 34868 1 176 . 1 . 1 16 16 LEU N N 15 119.617 0.021 . 1 . . . . A 12 LEU N . 34868 1 177 . 1 . 1 17 17 GLN H H 1 8.390 0.012 . 1 . . . . A 13 GLN H . 34868 1 178 . 1 . 1 17 17 GLN HA H 1 3.888 0.007 . 1 . . . . A 13 GLN HA . 34868 1 179 . 1 . 1 17 17 GLN HB2 H 1 2.285 0.009 . 2 . . . . A 13 GLN HB2 . 34868 1 180 . 1 . 1 17 17 GLN HB3 H 1 2.161 0.005 . 2 . . . . A 13 GLN HB3 . 34868 1 181 . 1 . 1 17 17 GLN HG2 H 1 2.464 0.021 . 2 . . . . A 13 GLN HG2 . 34868 1 182 . 1 . 1 17 17 GLN HG3 H 1 2.491 0.018 . 2 . . . . A 13 GLN HG3 . 34868 1 183 . 1 . 1 17 17 GLN HE21 H 1 6.898 0.000 . 1 . . . . A 13 GLN HE21 . 34868 1 184 . 1 . 1 17 17 GLN HE22 H 1 7.666 0.000 . 1 . . . . A 13 GLN HE22 . 34868 1 185 . 1 . 1 17 17 GLN C C 13 178.110 0.000 . 1 . . . . A 13 GLN C . 34868 1 186 . 1 . 1 17 17 GLN CA C 13 58.832 0.042 . 1 . . . . A 13 GLN CA . 34868 1 187 . 1 . 1 17 17 GLN CB C 13 28.142 0.052 . 1 . . . . A 13 GLN CB . 34868 1 188 . 1 . 1 17 17 GLN CG C 13 33.995 0.003 . 1 . . . . A 13 GLN CG . 34868 1 189 . 1 . 1 17 17 GLN N N 15 117.554 0.024 . 1 . . . . A 13 GLN N . 34868 1 190 . 1 . 1 17 17 GLN NE2 N 15 114.108 0.004 . 1 . . . . A 13 GLN NE2 . 34868 1 191 . 1 . 1 18 18 ALA H H 1 8.106 0.010 . 1 . . . . A 14 ALA H . 34868 1 192 . 1 . 1 18 18 ALA HA H 1 4.214 0.004 . 1 . . . . A 14 ALA HA . 34868 1 193 . 1 . 1 18 18 ALA HB1 H 1 1.429 0.002 . 1 . . . . A 14 ALA HB1 . 34868 1 194 . 1 . 1 18 18 ALA HB2 H 1 1.429 0.002 . 1 . . . . A 14 ALA HB2 . 34868 1 195 . 1 . 1 18 18 ALA HB3 H 1 1.429 0.002 . 1 . . . . A 14 ALA HB3 . 34868 1 196 . 1 . 1 18 18 ALA C C 13 179.152 0.000 . 1 . . . . A 14 ALA C . 34868 1 197 . 1 . 1 18 18 ALA CA C 13 55.081 0.030 . 1 . . . . A 14 ALA CA . 34868 1 198 . 1 . 1 18 18 ALA CB C 13 17.362 0.017 . 1 . . . . A 14 ALA CB . 34868 1 199 . 1 . 1 18 18 ALA N N 15 120.854 0.031 . 1 . . . . A 14 ALA N . 34868 1 200 . 1 . 1 19 19 TRP H H 1 8.401 0.011 . 1 . . . . A 15 TRP H . 34868 1 201 . 1 . 1 19 19 TRP HA H 1 4.499 0.007 . 1 . . . . A 15 TRP HA . 34868 1 202 . 1 . 1 19 19 TRP HB2 H 1 3.207 0.020 . 2 . . . . A 15 TRP HB2 . 34868 1 203 . 1 . 1 19 19 TRP HB3 H 1 3.248 0.025 . 2 . . . . A 15 TRP HB3 . 34868 1 204 . 1 . 1 19 19 TRP HD1 H 1 5.753 0.000 . 1 . . . . A 15 TRP HD1 . 34868 1 205 . 1 . 1 19 19 TRP HE3 H 1 7.150 0.000 . 1 . . . . A 15 TRP HE3 . 34868 1 206 . 1 . 1 19 19 TRP HZ2 H 1 7.314 0.000 . 1 . . . . A 15 TRP HZ2 . 34868 1 207 . 1 . 1 19 19 TRP HZ3 H 1 6.505 0.000 . 1 . . . . A 15 TRP HZ3 . 34868 1 208 . 1 . 1 19 19 TRP HH2 H 1 7.007 0.000 . 1 . . . . A 15 TRP HH2 . 34868 1 209 . 1 . 1 19 19 TRP C C 13 179.656 0.000 . 1 . . . . A 15 TRP C . 34868 1 210 . 1 . 1 19 19 TRP CA C 13 59.315 0.037 . 1 . . . . A 15 TRP CA . 34868 1 211 . 1 . 1 19 19 TRP CB C 13 29.618 0.016 . 1 . . . . A 15 TRP CB . 34868 1 212 . 1 . 1 19 19 TRP CD1 C 13 126.149 0.000 . 1 . . . . A 15 TRP CD1 . 34868 1 213 . 1 . 1 19 19 TRP CE3 C 13 121.555 0.000 . 1 . . . . A 15 TRP CE3 . 34868 1 214 . 1 . 1 19 19 TRP CZ2 C 13 114.419 0.000 . 1 . . . . A 15 TRP CZ2 . 34868 1 215 . 1 . 1 19 19 TRP CZ3 C 13 120.336 0.000 . 1 . . . . A 15 TRP CZ3 . 34868 1 216 . 1 . 1 19 19 TRP CH2 C 13 124.807 0.000 . 1 . . . . A 15 TRP CH2 . 34868 1 217 . 1 . 1 19 19 TRP N N 15 116.372 0.026 . 1 . . . . A 15 TRP N . 34868 1 218 . 1 . 1 20 20 LYS H H 1 8.860 0.009 . 1 . . . . A 16 LYS H . 34868 1 219 . 1 . 1 20 20 LYS HA H 1 3.410 0.009 . 1 . . . . A 16 LYS HA . 34868 1 220 . 1 . 1 20 20 LYS HB2 H 1 1.851 0.012 . 2 . . . . A 16 LYS HB2 . 34868 1 221 . 1 . 1 20 20 LYS HB3 H 1 1.840 0.013 . 2 . . . . A 16 LYS HB3 . 34868 1 222 . 1 . 1 20 20 LYS HG2 H 1 1.452 0.005 . 2 . . . . A 16 LYS HG2 . 34868 1 223 . 1 . 1 20 20 LYS HG3 H 1 1.803 0.008 . 2 . . . . A 16 LYS HG3 . 34868 1 224 . 1 . 1 20 20 LYS HD2 H 1 1.754 0.001 . 1 . . . . A 16 LYS HD2 . 34868 1 225 . 1 . 1 20 20 LYS HD3 H 1 1.754 0.001 . 1 . . . . A 16 LYS HD3 . 34868 1 226 . 1 . 1 20 20 LYS HE2 H 1 2.981 0.004 . 2 . . . . A 16 LYS HE2 . 34868 1 227 . 1 . 1 20 20 LYS HE3 H 1 3.109 0.002 . 2 . . . . A 16 LYS HE3 . 34868 1 228 . 1 . 1 20 20 LYS C C 13 178.992 0.000 . 1 . . . . A 16 LYS C . 34868 1 229 . 1 . 1 20 20 LYS CA C 13 61.436 0.043 . 1 . . . . A 16 LYS CA . 34868 1 230 . 1 . 1 20 20 LYS CB C 13 32.356 0.058 . 1 . . . . A 16 LYS CB . 34868 1 231 . 1 . 1 20 20 LYS CG C 13 25.931 0.060 . 1 . . . . A 16 LYS CG . 34868 1 232 . 1 . 1 20 20 LYS CD C 13 30.109 0.058 . 1 . . . . A 16 LYS CD . 34868 1 233 . 1 . 1 20 20 LYS CE C 13 43.172 0.000 . 1 . . . . A 16 LYS CE . 34868 1 234 . 1 . 1 20 20 LYS N N 15 122.454 0.012 . 1 . . . . A 16 LYS N . 34868 1 235 . 1 . 1 21 21 ASP H H 1 8.221 0.012 . 1 . . . . A 17 ASP H . 34868 1 236 . 1 . 1 21 21 ASP HA H 1 4.200 0.009 . 1 . . . . A 17 ASP HA . 34868 1 237 . 1 . 1 21 21 ASP HB2 H 1 2.651 0.003 . 2 . . . . A 17 ASP HB2 . 34868 1 238 . 1 . 1 21 21 ASP HB3 H 1 2.832 0.002 . 2 . . . . A 17 ASP HB3 . 34868 1 239 . 1 . 1 21 21 ASP C C 13 177.932 0.000 . 1 . . . . A 17 ASP C . 34868 1 240 . 1 . 1 21 21 ASP CA C 13 57.201 0.021 . 1 . . . . A 17 ASP CA . 34868 1 241 . 1 . 1 21 21 ASP CB C 13 41.207 0.020 . 1 . . . . A 17 ASP CB . 34868 1 242 . 1 . 1 21 21 ASP N N 15 119.446 0.036 . 1 . . . . A 17 ASP N . 34868 1 243 . 1 . 1 22 22 ILE H H 1 7.625 0.010 . 1 . . . . A 18 ILE H . 34868 1 244 . 1 . 1 22 22 ILE HA H 1 3.466 0.009 . 1 . . . . A 18 ILE HA . 34868 1 245 . 1 . 1 22 22 ILE HB H 1 1.371 0.010 . 1 . . . . A 18 ILE HB . 34868 1 246 . 1 . 1 22 22 ILE HG12 H 1 1.715 0.016 . 2 . . . . A 18 ILE HG12 . 34868 1 247 . 1 . 1 22 22 ILE HG13 H 1 0.942 0.010 . 2 . . . . A 18 ILE HG13 . 34868 1 248 . 1 . 1 22 22 ILE HG21 H 1 0.613 0.003 . 1 . . . . A 18 ILE HG21 . 34868 1 249 . 1 . 1 22 22 ILE HG22 H 1 0.613 0.003 . 1 . . . . A 18 ILE HG22 . 34868 1 250 . 1 . 1 22 22 ILE HG23 H 1 0.613 0.003 . 1 . . . . A 18 ILE HG23 . 34868 1 251 . 1 . 1 22 22 ILE HD11 H 1 0.738 0.003 . 1 . . . . A 18 ILE HD11 . 34868 1 252 . 1 . 1 22 22 ILE HD12 H 1 0.738 0.003 . 1 . . . . A 18 ILE HD12 . 34868 1 253 . 1 . 1 22 22 ILE HD13 H 1 0.738 0.003 . 1 . . . . A 18 ILE HD13 . 34868 1 254 . 1 . 1 22 22 ILE C C 13 176.681 0.000 . 1 . . . . A 18 ILE C . 34868 1 255 . 1 . 1 22 22 ILE CA C 13 63.784 0.019 . 1 . . . . A 18 ILE CA . 34868 1 256 . 1 . 1 22 22 ILE CB C 13 39.741 0.031 . 1 . . . . A 18 ILE CB . 34868 1 257 . 1 . 1 22 22 ILE CG1 C 13 29.425 0.061 . 1 . . . . A 18 ILE CG1 . 34868 1 258 . 1 . 1 22 22 ILE CG2 C 13 17.161 0.028 . 1 . . . . A 18 ILE CG2 . 34868 1 259 . 1 . 1 22 22 ILE CD1 C 13 13.879 0.037 . 1 . . . . A 18 ILE CD1 . 34868 1 260 . 1 . 1 22 22 ILE N N 15 118.187 0.019 . 1 . . . . A 18 ILE N . 34868 1 261 . 1 . 1 23 23 SER H H 1 7.882 0.012 . 1 . . . . A 19 SER H . 34868 1 262 . 1 . 1 23 23 SER HA H 1 3.026 0.008 . 1 . . . . A 19 SER HA . 34868 1 263 . 1 . 1 23 23 SER HB2 H 1 1.443 0.011 . 2 . . . . A 19 SER HB2 . 34868 1 264 . 1 . 1 23 23 SER HB3 H 1 3.028 0.002 . 2 . . . . A 19 SER HB3 . 34868 1 265 . 1 . 1 23 23 SER C C 13 175.934 0.000 . 1 . . . . A 19 SER C . 34868 1 266 . 1 . 1 23 23 SER CA C 13 59.225 0.027 . 1 . . . . A 19 SER CA . 34868 1 267 . 1 . 1 23 23 SER CB C 13 65.189 0.019 . 1 . . . . A 19 SER CB . 34868 1 268 . 1 . 1 23 23 SER N N 15 111.745 0.024 . 1 . . . . A 19 SER N . 34868 1 269 . 1 . 1 24 24 GLY H H 1 7.667 0.012 . 1 . . . . A 20 GLY H . 34868 1 270 . 1 . 1 24 24 GLY HA2 H 1 3.724 0.005 . 2 . . . . A 20 GLY HA2 . 34868 1 271 . 1 . 1 24 24 GLY HA3 H 1 3.999 0.008 . 2 . . . . A 20 GLY HA3 . 34868 1 272 . 1 . 1 24 24 GLY C C 13 173.804 0.000 . 1 . . . . A 20 GLY C . 34868 1 273 . 1 . 1 24 24 GLY CA C 13 45.756 0.030 . 1 . . . . A 20 GLY CA . 34868 1 274 . 1 . 1 24 24 GLY N N 15 112.237 0.038 . 1 . . . . A 20 GLY N . 34868 1 275 . 1 . 1 25 25 ALA H H 1 7.368 0.011 . 1 . . . . A 21 ALA H . 34868 1 276 . 1 . 1 25 25 ALA HA H 1 4.377 0.003 . 1 . . . . A 21 ALA HA . 34868 1 277 . 1 . 1 25 25 ALA HB1 H 1 1.185 0.004 . 1 . . . . A 21 ALA HB1 . 34868 1 278 . 1 . 1 25 25 ALA HB2 H 1 1.185 0.004 . 1 . . . . A 21 ALA HB2 . 34868 1 279 . 1 . 1 25 25 ALA HB3 H 1 1.185 0.004 . 1 . . . . A 21 ALA HB3 . 34868 1 280 . 1 . 1 25 25 ALA C C 13 176.229 0.000 . 1 . . . . A 21 ALA C . 34868 1 281 . 1 . 1 25 25 ALA CA C 13 51.829 0.033 . 1 . . . . A 21 ALA CA . 34868 1 282 . 1 . 1 25 25 ALA CB C 13 18.403 0.040 . 1 . . . . A 21 ALA CB . 34868 1 283 . 1 . 1 25 25 ALA N N 15 123.298 0.027 . 1 . . . . A 21 ALA N . 34868 1 284 . 1 . 1 26 26 ASP H H 1 8.151 0.011 . 1 . . . . A 22 ASP H . 34868 1 285 . 1 . 1 26 26 ASP HA H 1 4.516 0.007 . 1 . . . . A 22 ASP HA . 34868 1 286 . 1 . 1 26 26 ASP HB2 H 1 2.664 0.019 . 2 . . . . A 22 ASP HB2 . 34868 1 287 . 1 . 1 26 26 ASP HB3 H 1 2.659 0.023 . 2 . . . . A 22 ASP HB3 . 34868 1 288 . 1 . 1 26 26 ASP C C 13 176.178 0.000 . 1 . . . . A 22 ASP C . 34868 1 289 . 1 . 1 26 26 ASP CA C 13 55.910 0.055 . 1 . . . . A 22 ASP CA . 34868 1 290 . 1 . 1 26 26 ASP CB C 13 42.053 0.021 . 1 . . . . A 22 ASP CB . 34868 1 291 . 1 . 1 26 26 ASP N N 15 121.503 0.030 . 1 . . . . A 22 ASP N . 34868 1 292 . 1 . 1 27 27 ASP H H 1 8.503 0.015 . 1 . . . . A 23 ASP H . 34868 1 293 . 1 . 1 27 27 ASP HA H 1 4.707 0.015 . 1 . . . . A 23 ASP HA . 34868 1 294 . 1 . 1 27 27 ASP HB2 H 1 2.724 0.010 . 2 . . . . A 23 ASP HB2 . 34868 1 295 . 1 . 1 27 27 ASP HB3 H 1 2.733 0.007 . 2 . . . . A 23 ASP HB3 . 34868 1 296 . 1 . 1 27 27 ASP C C 13 175.042 0.000 . 1 . . . . A 23 ASP C . 34868 1 297 . 1 . 1 27 27 ASP CA C 13 53.319 0.040 . 1 . . . . A 23 ASP CA . 34868 1 298 . 1 . 1 27 27 ASP N N 15 117.550 0.015 . 1 . . . . A 23 ASP N . 34868 1 299 . 1 . 1 28 28 PHE H H 1 7.661 0.011 . 1 . . . . A 24 PHE H . 34868 1 300 . 1 . 1 28 28 PHE HA H 1 4.467 0.005 . 1 . . . . A 24 PHE HA . 34868 1 301 . 1 . 1 28 28 PHE HB2 H 1 3.175 0.004 . 2 . . . . A 24 PHE HB2 . 34868 1 302 . 1 . 1 28 28 PHE HB3 H 1 2.878 0.002 . 2 . . . . A 24 PHE HB3 . 34868 1 303 . 1 . 1 28 28 PHE HD1 H 1 7.217 0.000 . 1 . . . . A 24 PHE HD1 . 34868 1 304 . 1 . 1 28 28 PHE HD2 H 1 7.217 0.000 . 1 . . . . A 24 PHE HD2 . 34868 1 305 . 1 . 1 28 28 PHE HE1 H 1 6.656 0.000 . 1 . . . . A 24 PHE HE1 . 34868 1 306 . 1 . 1 28 28 PHE HE2 H 1 6.656 0.000 . 1 . . . . A 24 PHE HE2 . 34868 1 307 . 1 . 1 28 28 PHE C C 13 174.677 0.000 . 1 . . . . A 24 PHE C . 34868 1 308 . 1 . 1 28 28 PHE CA C 13 59.352 0.064 . 1 . . . . A 24 PHE CA . 34868 1 309 . 1 . 1 28 28 PHE CB C 13 41.861 0.018 . 1 . . . . A 24 PHE CB . 34868 1 310 . 1 . 1 28 28 PHE CD1 C 13 132.272 0.000 . 1 . . . . A 24 PHE CD1 . 34868 1 311 . 1 . 1 28 28 PHE CD2 C 13 132.272 0.000 . 1 . . . . A 24 PHE CD2 . 34868 1 312 . 1 . 1 28 28 PHE CE1 C 13 130.757 0.000 . 1 . . . . A 24 PHE CE1 . 34868 1 313 . 1 . 1 28 28 PHE CE2 C 13 130.757 0.000 . 1 . . . . A 24 PHE CE2 . 34868 1 314 . 1 . 1 28 28 PHE N N 15 124.327 0.015 . 1 . . . . A 24 PHE N . 34868 1 315 . 1 . 1 29 29 THR H H 1 8.543 0.012 . 1 . . . . A 25 THR H . 34868 1 316 . 1 . 1 29 29 THR HA H 1 4.948 0.003 . 1 . . . . A 25 THR HA . 34868 1 317 . 1 . 1 29 29 THR HB H 1 4.538 0.008 . 1 . . . . A 25 THR HB . 34868 1 318 . 1 . 1 29 29 THR HG21 H 1 1.202 0.004 . 1 . . . . A 25 THR HG21 . 34868 1 319 . 1 . 1 29 29 THR HG22 H 1 1.202 0.004 . 1 . . . . A 25 THR HG22 . 34868 1 320 . 1 . 1 29 29 THR HG23 H 1 1.202 0.004 . 1 . . . . A 25 THR HG23 . 34868 1 321 . 1 . 1 29 29 THR C C 13 176.339 0.000 . 1 . . . . A 25 THR C . 34868 1 322 . 1 . 1 29 29 THR CA C 13 60.385 0.055 . 1 . . . . A 25 THR CA . 34868 1 323 . 1 . 1 29 29 THR CB C 13 71.742 0.034 . 1 . . . . A 25 THR CB . 34868 1 324 . 1 . 1 29 29 THR CG2 C 13 21.004 0.018 . 1 . . . . A 25 THR CG2 . 34868 1 325 . 1 . 1 29 29 THR N N 15 117.754 0.019 . 1 . . . . A 25 THR N . 34868 1 326 . 1 . 1 30 30 THR H H 1 8.394 0.011 . 1 . . . . A 26 THR H . 34868 1 327 . 1 . 1 30 30 THR HA H 1 3.939 0.011 . 1 . . . . A 26 THR HA . 34868 1 328 . 1 . 1 30 30 THR HB H 1 4.374 0.008 . 1 . . . . A 26 THR HB . 34868 1 329 . 1 . 1 30 30 THR HG21 H 1 1.376 0.009 . 1 . . . . A 26 THR HG21 . 34868 1 330 . 1 . 1 30 30 THR HG22 H 1 1.376 0.009 . 1 . . . . A 26 THR HG22 . 34868 1 331 . 1 . 1 30 30 THR HG23 H 1 1.376 0.009 . 1 . . . . A 26 THR HG23 . 34868 1 332 . 1 . 1 30 30 THR C C 13 173.572 0.000 . 1 . . . . A 26 THR C . 34868 1 333 . 1 . 1 30 30 THR CA C 13 64.538 0.040 . 1 . . . . A 26 THR CA . 34868 1 334 . 1 . 1 30 30 THR CB C 13 68.500 0.023 . 1 . . . . A 26 THR CB . 34868 1 335 . 1 . 1 30 30 THR CG2 C 13 23.708 0.019 . 1 . . . . A 26 THR CG2 . 34868 1 336 . 1 . 1 30 30 THR N N 15 107.499 0.048 . 1 . . . . A 26 THR N . 34868 1 337 . 1 . 1 31 31 THR H H 1 7.329 0.010 . 1 . . . . A 27 THR H . 34868 1 338 . 1 . 1 31 31 THR HA H 1 4.463 0.002 . 1 . . . . A 27 THR HA . 34868 1 339 . 1 . 1 31 31 THR HB H 1 4.397 0.010 . 1 . . . . A 27 THR HB . 34868 1 340 . 1 . 1 31 31 THR HG21 H 1 1.034 0.005 . 1 . . . . A 27 THR HG21 . 34868 1 341 . 1 . 1 31 31 THR HG22 H 1 1.034 0.005 . 1 . . . . A 27 THR HG22 . 34868 1 342 . 1 . 1 31 31 THR HG23 H 1 1.034 0.005 . 1 . . . . A 27 THR HG23 . 34868 1 343 . 1 . 1 31 31 THR C C 13 174.449 0.000 . 1 . . . . A 27 THR C . 34868 1 344 . 1 . 1 31 31 THR CA C 13 60.532 0.053 . 1 . . . . A 27 THR CA . 34868 1 345 . 1 . 1 31 31 THR CB C 13 69.252 0.053 . 1 . . . . A 27 THR CB . 34868 1 346 . 1 . 1 31 31 THR CG2 C 13 21.369 0.037 . 1 . . . . A 27 THR CG2 . 34868 1 347 . 1 . 1 31 31 THR N N 15 105.280 0.024 . 1 . . . . A 27 THR N . 34868 1 348 . 1 . 1 32 32 ASP H H 1 6.517 0.011 . 1 . . . . A 28 ASP H . 34868 1 349 . 1 . 1 32 32 ASP HA H 1 4.367 0.013 . 1 . . . . A 28 ASP HA . 34868 1 350 . 1 . 1 32 32 ASP HB2 H 1 1.282 0.004 . 2 . . . . A 28 ASP HB2 . 34868 1 351 . 1 . 1 32 32 ASP HB3 H 1 1.795 0.007 . 2 . . . . A 28 ASP HB3 . 34868 1 352 . 1 . 1 32 32 ASP C C 13 175.480 0.000 . 1 . . . . A 28 ASP C . 34868 1 353 . 1 . 1 32 32 ASP CA C 13 54.444 0.012 . 1 . . . . A 28 ASP CA . 34868 1 354 . 1 . 1 32 32 ASP CB C 13 41.941 0.016 . 1 . . . . A 28 ASP CB . 34868 1 355 . 1 . 1 32 32 ASP N N 15 123.110 0.023 . 1 . . . . A 28 ASP N . 34868 1 356 . 1 . 1 33 33 SER H H 1 8.447 0.013 . 1 . . . . A 29 SER H . 34868 1 357 . 1 . 1 33 33 SER HA H 1 4.662 0.007 . 1 . . . . A 29 SER HA . 34868 1 358 . 1 . 1 33 33 SER HB2 H 1 3.846 0.004 . 2 . . . . A 29 SER HB2 . 34868 1 359 . 1 . 1 33 33 SER HB3 H 1 4.003 0.014 . 2 . . . . A 29 SER HB3 . 34868 1 360 . 1 . 1 33 33 SER C C 13 177.519 0.000 . 1 . . . . A 29 SER C . 34868 1 361 . 1 . 1 33 33 SER CA C 13 56.778 0.071 . 1 . . . . A 29 SER CA . 34868 1 362 . 1 . 1 33 33 SER CB C 13 63.974 0.056 . 1 . . . . A 29 SER CB . 34868 1 363 . 1 . 1 33 33 SER N N 15 114.439 0.027 . 1 . . . . A 29 SER N . 34868 1 364 . 1 . 1 34 34 PHE H H 1 8.018 0.011 . 1 . . . . A 30 PHE H . 34868 1 365 . 1 . 1 34 34 PHE HA H 1 4.288 0.003 . 1 . . . . A 30 PHE HA . 34868 1 366 . 1 . 1 34 34 PHE HB2 H 1 2.408 0.010 . 2 . . . . A 30 PHE HB2 . 34868 1 367 . 1 . 1 34 34 PHE HB3 H 1 2.655 0.004 . 2 . . . . A 30 PHE HB3 . 34868 1 368 . 1 . 1 34 34 PHE C C 13 178.513 0.000 . 1 . . . . A 30 PHE C . 34868 1 369 . 1 . 1 34 34 PHE CA C 13 60.253 0.063 . 1 . . . . A 30 PHE CA . 34868 1 370 . 1 . 1 34 34 PHE CB C 13 39.022 0.023 . 1 . . . . A 30 PHE CB . 34868 1 371 . 1 . 1 34 34 PHE N N 15 126.033 0.039 . 1 . . . . A 30 PHE N . 34868 1 372 . 1 . 1 35 35 LEU H H 1 8.530 0.010 . 1 . . . . A 31 LEU H . 34868 1 373 . 1 . 1 35 35 LEU HA H 1 4.356 0.005 . 1 . . . . A 31 LEU HA . 34868 1 374 . 1 . 1 35 35 LEU HB2 H 1 1.701 0.004 . 1 . . . . A 31 LEU HB2 . 34868 1 375 . 1 . 1 35 35 LEU HB3 H 1 1.701 0.004 . 1 . . . . A 31 LEU HB3 . 34868 1 376 . 1 . 1 35 35 LEU HG H 1 1.698 0.005 . 1 . . . . A 31 LEU HG . 34868 1 377 . 1 . 1 35 35 LEU HD11 H 1 0.800 0.015 . 2 . . . . A 31 LEU HD11 . 34868 1 378 . 1 . 1 35 35 LEU HD12 H 1 0.800 0.015 . 2 . . . . A 31 LEU HD12 . 34868 1 379 . 1 . 1 35 35 LEU HD13 H 1 0.800 0.015 . 2 . . . . A 31 LEU HD13 . 34868 1 380 . 1 . 1 35 35 LEU HD21 H 1 0.939 0.006 . 2 . . . . A 31 LEU HD21 . 34868 1 381 . 1 . 1 35 35 LEU HD22 H 1 0.939 0.006 . 2 . . . . A 31 LEU HD22 . 34868 1 382 . 1 . 1 35 35 LEU HD23 H 1 0.939 0.006 . 2 . . . . A 31 LEU HD23 . 34868 1 383 . 1 . 1 35 35 LEU C C 13 178.751 0.000 . 1 . . . . A 31 LEU C . 34868 1 384 . 1 . 1 35 35 LEU CA C 13 56.636 0.048 . 1 . . . . A 31 LEU CA . 34868 1 385 . 1 . 1 35 35 LEU CB C 13 41.915 0.044 . 1 . . . . A 31 LEU CB . 34868 1 386 . 1 . 1 35 35 LEU CG C 13 27.524 0.046 . 1 . . . . A 31 LEU CG . 34868 1 387 . 1 . 1 35 35 LEU CD1 C 13 24.087 0.022 . 2 . . . . A 31 LEU CD1 . 34868 1 388 . 1 . 1 35 35 LEU CD2 C 13 24.948 0.033 . 2 . . . . A 31 LEU CD2 . 34868 1 389 . 1 . 1 35 35 LEU N N 15 116.825 0.025 . 1 . . . . A 31 LEU N . 34868 1 390 . 1 . 1 36 36 GLY H H 1 8.061 0.013 . 1 . . . . A 32 GLY H . 34868 1 391 . 1 . 1 36 36 GLY HA2 H 1 3.987 0.010 . 2 . . . . A 32 GLY HA2 . 34868 1 392 . 1 . 1 36 36 GLY HA3 H 1 4.093 0.011 . 2 . . . . A 32 GLY HA3 . 34868 1 393 . 1 . 1 36 36 GLY CA C 13 45.964 0.077 . 1 . . . . A 32 GLY CA . 34868 1 394 . 1 . 1 36 36 GLY N N 15 106.863 0.036 . 1 . . . . A 32 GLY N . 34868 1 395 . 1 . 1 37 37 HIS HA H 1 4.821 0.012 . 1 . . . . A 33 HIS HA . 34868 1 396 . 1 . 1 37 37 HIS HB2 H 1 3.673 0.005 . 2 . . . . A 33 HIS HB2 . 34868 1 397 . 1 . 1 37 37 HIS HB3 H 1 3.385 0.004 . 2 . . . . A 33 HIS HB3 . 34868 1 398 . 1 . 1 37 37 HIS HD2 H 1 7.337 0.000 . 1 . . . . A 33 HIS HD2 . 34868 1 399 . 1 . 1 37 37 HIS C C 13 175.754 0.000 . 1 . . . . A 33 HIS C . 34868 1 400 . 1 . 1 37 37 HIS CA C 13 56.681 0.076 . 1 . . . . A 33 HIS CA . 34868 1 401 . 1 . 1 37 37 HIS CB C 13 30.580 0.000 . 1 . . . . A 33 HIS CB . 34868 1 402 . 1 . 1 37 37 HIS CD2 C 13 120.390 0.000 . 1 . . . . A 33 HIS CD2 . 34868 1 403 . 1 . 1 38 38 GLY H H 1 8.357 0.017 . 1 . . . . A 34 GLY H . 34868 1 404 . 1 . 1 38 38 GLY HA2 H 1 4.203 0.006 . 2 . . . . A 34 GLY HA2 . 34868 1 405 . 1 . 1 38 38 GLY HA3 H 1 3.967 0.008 . 2 . . . . A 34 GLY HA3 . 34868 1 406 . 1 . 1 38 38 GLY C C 13 174.940 0.000 . 1 . . . . A 34 GLY C . 34868 1 407 . 1 . 1 38 38 GLY CA C 13 45.741 0.038 . 1 . . . . A 34 GLY CA . 34868 1 408 . 1 . 1 38 38 GLY N N 15 108.857 0.030 . 1 . . . . A 34 GLY N . 34868 1 409 . 1 . 1 39 39 GLY H H 1 8.171 0.012 . 1 . . . . A 35 GLY H . 34868 1 410 . 1 . 1 39 39 GLY HA2 H 1 3.943 0.013 . 2 . . . . A 35 GLY HA2 . 34868 1 411 . 1 . 1 39 39 GLY HA3 H 1 4.235 0.013 . 2 . . . . A 35 GLY HA3 . 34868 1 412 . 1 . 1 39 39 GLY C C 13 173.163 0.000 . 1 . . . . A 35 GLY C . 34868 1 413 . 1 . 1 39 39 GLY CA C 13 45.776 0.050 . 1 . . . . A 35 GLY CA . 34868 1 414 . 1 . 1 39 39 GLY N N 15 108.337 0.021 . 1 . . . . A 35 GLY N . 34868 1 415 . 1 . 1 40 40 ASN H H 1 8.398 0.014 . 1 . . . . A 36 ASN H . 34868 1 416 . 1 . 1 40 40 ASN HA H 1 4.657 0.015 . 1 . . . . A 36 ASN HA . 34868 1 417 . 1 . 1 40 40 ASN HB2 H 1 2.747 0.002 . 2 . . . . A 36 ASN HB2 . 34868 1 418 . 1 . 1 40 40 ASN HB3 H 1 2.464 0.005 . 2 . . . . A 36 ASN HB3 . 34868 1 419 . 1 . 1 40 40 ASN HD21 H 1 7.450 0.001 . 1 . . . . A 36 ASN HD21 . 34868 1 420 . 1 . 1 40 40 ASN HD22 H 1 6.618 0.002 . 1 . . . . A 36 ASN HD22 . 34868 1 421 . 1 . 1 40 40 ASN C C 13 175.845 0.000 . 1 . . . . A 36 ASN C . 34868 1 422 . 1 . 1 40 40 ASN CA C 13 52.449 0.035 . 1 . . . . A 36 ASN CA . 34868 1 423 . 1 . 1 40 40 ASN CB C 13 39.265 0.058 . 1 . . . . A 36 ASN CB . 34868 1 424 . 1 . 1 40 40 ASN N N 15 119.857 0.032 . 1 . . . . A 36 ASN N . 34868 1 425 . 1 . 1 40 40 ASN ND2 N 15 111.680 0.031 . 1 . . . . A 36 ASN ND2 . 34868 1 426 . 1 . 1 41 41 4HH H H 1 9.016 0.012 . 1 . . . . A 37 4HH H . 34868 1 427 . 1 . 1 41 41 4HH C C 13 175.646 0.000 . 1 . . . . A 37 4HH C . 34868 1 428 . 1 . 1 41 41 4HH N N 15 117.887 0.043 . 1 . . . . A 37 4HH N . 34868 1 429 . 1 . 1 41 41 4HH CA C 13 60.137 0.066 . 1 . . . . A 37 4HH CA . 34868 1 430 . 1 . 1 41 41 4HH CB C 13 65.829 0.017 . 1 . . . . A 37 4HH CB . 34868 1 431 . 1 . 1 41 41 4HH CJ C 13 74.161 0.022 . 1 . . . . A 37 4HH CJ . 34868 1 432 . 1 . 1 41 41 4HH CL1 C 13 23.929 0.005 . 1 . . . . A 37 4HH CL1 . 34868 1 433 . 1 . 1 41 41 4HH CL2 C 13 21.526 0.018 . 1 . . . . A 37 4HH CL2 . 34868 1 434 . 1 . 1 41 41 4HH CL3 C 13 177.309 0.000 . 1 . . . . A 37 4HH CL3 . 34868 1 435 . 1 . 1 41 41 4HH CM C 13 76.882 0.037 . 1 . . . . A 37 4HH CM . 34868 1 436 . 1 . 1 41 41 4HH CO C 13 38.168 0.035 . 1 . . . . A 37 4HH CO . 34868 1 437 . 1 . 1 41 41 4HH CP C 13 38.032 0.028 . 1 . . . . A 37 4HH CP . 34868 1 438 . 1 . 1 41 41 4HH CQ C 13 176.553 0.000 . 1 . . . . A 37 4HH CQ . 34868 1 439 . 1 . 1 41 41 4HH CS C 13 45.069 0.036 . 1 . . . . A 37 4HH CS . 34868 1 440 . 1 . 1 41 41 4HH CT C 13 26.008 0.017 . 1 . . . . A 37 4HH CT . 34868 1 441 . 1 . 1 41 41 4HH HA H 1 3.866 0.023 . 1 . . . . A 37 4HH HA . 34868 1 442 . 1 . 1 41 41 4HH HB2 H 1 4.186 0.012 . 2 . . . . A 37 4HH HB2 . 34868 1 443 . 1 . 1 41 41 4HH HB3 H 1 4.189 0.012 . 2 . . . . A 37 4HH HB2 . 34868 1 444 . 1 . 1 41 41 4HH HJ2 H 1 3.817 0.003 . 2 . . . . A 37 4HH HJ2 . 34868 1 445 . 1 . 1 41 41 4HH HJ3 H 1 3.398 0.006 . 2 . . . . A 37 4HH HJ3 . 34868 1 446 . 1 . 1 41 41 4HH HL11 H 1 1.008 0.001 . 1 . . . . A 37 4HH HL11 . 34868 1 447 . 1 . 1 41 41 4HH HL12 H 1 1.008 0.001 . 1 . . . . A 37 4HH HL12 . 34868 1 448 . 1 . 1 41 41 4HH HL13 H 1 1.008 0.001 . 1 . . . . A 37 4HH HL13 . 34868 1 449 . 1 . 1 41 41 4HH HL21 H 1 0.860 0.002 . 1 . . . . A 37 4HH HL21 . 34868 1 450 . 1 . 1 41 41 4HH HL22 H 1 0.860 0.002 . 1 . . . . A 37 4HH HL22 . 34868 1 451 . 1 . 1 41 41 4HH HL23 H 1 0.860 0.002 . 1 . . . . A 37 4HH HL23 . 34868 1 452 . 1 . 1 41 41 4HH HL3 H 1 4.034 0.002 . 1 . . . . A 37 4HH HL3 . 34868 1 453 . 1 . 1 41 41 4HH HN H 1 7.917 0.021 . 1 . . . . A 37 4HH HN . 34868 1 454 . 1 . 1 41 41 4HH HO2 H 1 3.424 0.010 . 1 . . . . A 37 4HH HO2 . 34868 1 455 . 1 . 1 41 41 4HH HO3 H 1 3.424 0.010 . 1 . . . . A 37 4HH HO3 . 34868 1 456 . 1 . 1 41 41 4HH HP2 H 1 2.410 0.002 . 1 . . . . A 37 4HH HP2 . 34868 1 457 . 1 . 1 41 41 4HH HP3 H 1 2.410 0.002 . 1 . . . . A 37 4HH HP3 . 34868 1 458 . 1 . 1 41 41 4HH HR H 1 8.081 0.011 . 1 . . . . A 37 4HH HR . 34868 1 459 . 1 . 1 41 41 4HH HS2 H 1 3.293 0.002 . 1 . . . . A 37 4HH HS2 . 34868 1 460 . 1 . 1 41 41 4HH HS3 H 1 3.293 0.002 . 1 . . . . A 37 4HH HS3 . 34868 1 461 . 1 . 1 41 41 4HH HT2 H 1 2.588 0.002 . 1 . . . . A 37 4HH HT2 . 34868 1 462 . 1 . 1 41 41 4HH HT3 H 1 2.588 0.002 . 1 . . . . A 37 4HH HT3 . 34868 1 463 . 1 . 1 41 41 4HH NN N 15 119.915 0.018 . 1 . . . . A 37 4HH NN . 34868 1 464 . 1 . 1 41 41 4HH NR N 15 124.014 0.015 . 1 . . . . A 37 4HH NR . 34868 1 465 . 1 . 1 42 42 LEU H H 1 8.146 0.011 . 1 . . . . A 38 LEU H . 34868 1 466 . 1 . 1 42 42 LEU HA H 1 4.168 0.016 . 1 . . . . A 38 LEU HA . 34868 1 467 . 1 . 1 42 42 LEU HB2 H 1 1.606 0.007 . 2 . . . . A 38 LEU HB2 . 34868 1 468 . 1 . 1 42 42 LEU HB3 H 1 1.487 0.012 . 2 . . . . A 38 LEU HB3 . 34868 1 469 . 1 . 1 42 42 LEU HG H 1 1.610 0.008 . 1 . . . . A 38 LEU HG . 34868 1 470 . 1 . 1 42 42 LEU HD11 H 1 0.873 0.013 . 2 . . . . A 38 LEU HD11 . 34868 1 471 . 1 . 1 42 42 LEU HD12 H 1 0.873 0.013 . 2 . . . . A 38 LEU HD12 . 34868 1 472 . 1 . 1 42 42 LEU HD13 H 1 0.873 0.013 . 2 . . . . A 38 LEU HD13 . 34868 1 473 . 1 . 1 42 42 LEU HD21 H 1 0.900 0.013 . 2 . . . . A 38 LEU HD21 . 34868 1 474 . 1 . 1 42 42 LEU HD22 H 1 0.900 0.013 . 2 . . . . A 38 LEU HD22 . 34868 1 475 . 1 . 1 42 42 LEU HD23 H 1 0.900 0.013 . 2 . . . . A 38 LEU HD23 . 34868 1 476 . 1 . 1 42 42 LEU C C 13 179.525 0.000 . 1 . . . . A 38 LEU C . 34868 1 477 . 1 . 1 42 42 LEU CA C 13 57.758 0.023 . 1 . . . . A 38 LEU CA . 34868 1 478 . 1 . 1 42 42 LEU CB C 13 41.142 0.036 . 1 . . . . A 38 LEU CB . 34868 1 479 . 1 . 1 42 42 LEU CG C 13 27.092 0.053 . 1 . . . . A 38 LEU CG . 34868 1 480 . 1 . 1 42 42 LEU CD1 C 13 24.123 0.024 . 2 . . . . A 38 LEU CD1 . 34868 1 481 . 1 . 1 42 42 LEU CD2 C 13 24.142 0.044 . 2 . . . . A 38 LEU CD2 . 34868 1 482 . 1 . 1 42 42 LEU N N 15 122.822 0.022 . 1 . . . . A 38 LEU N . 34868 1 483 . 1 . 1 43 43 HIS H H 1 7.766 0.008 . 1 . . . . A 39 HIS H . 34868 1 484 . 1 . 1 43 43 HIS HA H 1 4.445 0.013 . 1 . . . . A 39 HIS HA . 34868 1 485 . 1 . 1 43 43 HIS HB2 H 1 3.180 0.002 . 2 . . . . A 39 HIS HB2 . 34868 1 486 . 1 . 1 43 43 HIS HB3 H 1 2.965 0.010 . 2 . . . . A 39 HIS HB3 . 34868 1 487 . 1 . 1 43 43 HIS HD2 H 1 6.722 0.000 . 1 . . . . A 39 HIS HD2 . 34868 1 488 . 1 . 1 43 43 HIS C C 13 178.299 0.000 . 1 . . . . A 39 HIS C . 34868 1 489 . 1 . 1 43 43 HIS CA C 13 57.593 0.057 . 1 . . . . A 39 HIS CA . 34868 1 490 . 1 . 1 43 43 HIS CB C 13 31.303 0.018 . 1 . . . . A 39 HIS CB . 34868 1 491 . 1 . 1 43 43 HIS CD2 C 13 117.258 0.000 . 1 . . . . A 39 HIS CD2 . 34868 1 492 . 1 . 1 43 43 HIS N N 15 117.531 0.038 . 1 . . . . A 39 HIS N . 34868 1 493 . 1 . 1 44 44 PHE H H 1 7.823 0.010 . 1 . . . . A 40 PHE H . 34868 1 494 . 1 . 1 44 44 PHE HA H 1 4.409 0.010 . 1 . . . . A 40 PHE HA . 34868 1 495 . 1 . 1 44 44 PHE HB2 H 1 2.986 0.002 . 2 . . . . A 40 PHE HB2 . 34868 1 496 . 1 . 1 44 44 PHE HB3 H 1 3.361 0.008 . 2 . . . . A 40 PHE HB3 . 34868 1 497 . 1 . 1 44 44 PHE HD1 H 1 6.965 0.016 . 1 . . . . A 40 PHE HD1 . 34868 1 498 . 1 . 1 44 44 PHE HD2 H 1 6.965 0.016 . 1 . . . . A 40 PHE HD2 . 34868 1 499 . 1 . 1 44 44 PHE HE1 H 1 7.092 0.000 . 1 . . . . A 40 PHE HE1 . 34868 1 500 . 1 . 1 44 44 PHE HE2 H 1 7.092 0.000 . 1 . . . . A 40 PHE HE2 . 34868 1 501 . 1 . 1 44 44 PHE C C 13 177.534 0.000 . 1 . . . . A 40 PHE C . 34868 1 502 . 1 . 1 44 44 PHE CA C 13 59.672 0.038 . 1 . . . . A 40 PHE CA . 34868 1 503 . 1 . 1 44 44 PHE CB C 13 37.758 0.025 . 1 . . . . A 40 PHE CB . 34868 1 504 . 1 . 1 44 44 PHE CD1 C 13 130.353 0.000 . 1 . . . . A 40 PHE CD1 . 34868 1 505 . 1 . 1 44 44 PHE CD2 C 13 130.353 0.000 . 1 . . . . A 40 PHE CD2 . 34868 1 506 . 1 . 1 44 44 PHE CE1 C 13 131.416 0.000 . 1 . . . . A 40 PHE CE1 . 34868 1 507 . 1 . 1 44 44 PHE CE2 C 13 131.416 0.000 . 1 . . . . A 40 PHE CE2 . 34868 1 508 . 1 . 1 44 44 PHE N N 15 118.186 0.032 . 1 . . . . A 40 PHE N . 34868 1 509 . 1 . 1 45 45 VAL H H 1 7.670 0.011 . 1 . . . . A 41 VAL H . 34868 1 510 . 1 . 1 45 45 VAL HA H 1 3.855 0.008 . 1 . . . . A 41 VAL HA . 34868 1 511 . 1 . 1 45 45 VAL HB H 1 2.344 0.007 . 1 . . . . A 41 VAL HB . 34868 1 512 . 1 . 1 45 45 VAL HG11 H 1 1.060 0.011 . 2 . . . . A 41 VAL HG11 . 34868 1 513 . 1 . 1 45 45 VAL HG12 H 1 1.060 0.011 . 2 . . . . A 41 VAL HG12 . 34868 1 514 . 1 . 1 45 45 VAL HG13 H 1 1.060 0.011 . 2 . . . . A 41 VAL HG13 . 34868 1 515 . 1 . 1 45 45 VAL HG21 H 1 1.228 0.007 . 2 . . . . A 41 VAL HG21 . 34868 1 516 . 1 . 1 45 45 VAL HG22 H 1 1.228 0.007 . 2 . . . . A 41 VAL HG22 . 34868 1 517 . 1 . 1 45 45 VAL HG23 H 1 1.228 0.007 . 2 . . . . A 41 VAL HG23 . 34868 1 518 . 1 . 1 45 45 VAL C C 13 179.287 0.000 . 1 . . . . A 41 VAL C . 34868 1 519 . 1 . 1 45 45 VAL CA C 13 65.707 0.020 . 1 . . . . A 41 VAL CA . 34868 1 520 . 1 . 1 45 45 VAL CB C 13 32.131 0.038 . 1 . . . . A 41 VAL CB . 34868 1 521 . 1 . 1 45 45 VAL CG1 C 13 20.914 0.040 . 2 . . . . A 41 VAL CG1 . 34868 1 522 . 1 . 1 45 45 VAL CG2 C 13 22.694 0.021 . 2 . . . . A 41 VAL CG2 . 34868 1 523 . 1 . 1 45 45 VAL N N 15 119.594 0.033 . 1 . . . . A 41 VAL N . 34868 1 524 . 1 . 1 46 46 GLN H H 1 7.984 0.007 . 1 . . . . A 42 GLN H . 34868 1 525 . 1 . 1 46 46 GLN HA H 1 4.157 0.007 . 1 . . . . A 42 GLN HA . 34868 1 526 . 1 . 1 46 46 GLN HB2 H 1 2.057 0.016 . 2 . . . . A 42 GLN HB2 . 34868 1 527 . 1 . 1 46 46 GLN HB3 H 1 2.317 0.009 . 2 . . . . A 42 GLN HB3 . 34868 1 528 . 1 . 1 46 46 GLN HG2 H 1 2.449 0.006 . 2 . . . . A 42 GLN HG2 . 34868 1 529 . 1 . 1 46 46 GLN HG3 H 1 2.619 0.004 . 2 . . . . A 42 GLN HG3 . 34868 1 530 . 1 . 1 46 46 GLN HE21 H 1 6.876 0.002 . 1 . . . . A 42 GLN HE21 . 34868 1 531 . 1 . 1 46 46 GLN HE22 H 1 7.300 0.000 . 1 . . . . A 42 GLN HE22 . 34868 1 532 . 1 . 1 46 46 GLN C C 13 178.832 0.000 . 1 . . . . A 42 GLN C . 34868 1 533 . 1 . 1 46 46 GLN CA C 13 58.803 0.040 . 1 . . . . A 42 GLN CA . 34868 1 534 . 1 . 1 46 46 GLN CB C 13 29.015 0.067 . 1 . . . . A 42 GLN CB . 34868 1 535 . 1 . 1 46 46 GLN CG C 13 34.519 0.051 . 1 . . . . A 42 GLN CG . 34868 1 536 . 1 . 1 46 46 GLN N N 15 118.950 0.027 . 1 . . . . A 42 GLN N . 34868 1 537 . 1 . 1 46 46 GLN NE2 N 15 110.229 0.000 . 1 . . . . A 42 GLN NE2 . 34868 1 538 . 1 . 1 47 47 LEU H H 1 8.552 0.009 . 1 . . . . A 43 LEU H . 34868 1 539 . 1 . 1 47 47 LEU HA H 1 3.970 0.009 . 1 . . . . A 43 LEU HA . 34868 1 540 . 1 . 1 47 47 LEU HB2 H 1 2.038 0.008 . 2 . . . . A 43 LEU HB2 . 34868 1 541 . 1 . 1 47 47 LEU HB3 H 1 1.681 0.012 . 2 . . . . A 43 LEU HB3 . 34868 1 542 . 1 . 1 47 47 LEU HG H 1 1.382 0.007 . 1 . . . . A 43 LEU HG . 34868 1 543 . 1 . 1 47 47 LEU HD11 H 1 0.332 0.010 . 2 . . . . A 43 LEU HD11 . 34868 1 544 . 1 . 1 47 47 LEU HD12 H 1 0.332 0.010 . 2 . . . . A 43 LEU HD12 . 34868 1 545 . 1 . 1 47 47 LEU HD13 H 1 0.332 0.010 . 2 . . . . A 43 LEU HD13 . 34868 1 546 . 1 . 1 47 47 LEU HD21 H 1 0.992 0.014 . 2 . . . . A 43 LEU HD21 . 34868 1 547 . 1 . 1 47 47 LEU HD22 H 1 0.992 0.014 . 2 . . . . A 43 LEU HD22 . 34868 1 548 . 1 . 1 47 47 LEU HD23 H 1 0.992 0.014 . 2 . . . . A 43 LEU HD23 . 34868 1 549 . 1 . 1 47 47 LEU C C 13 177.398 0.000 . 1 . . . . A 43 LEU C . 34868 1 550 . 1 . 1 47 47 LEU CA C 13 58.488 0.061 . 1 . . . . A 43 LEU CA . 34868 1 551 . 1 . 1 47 47 LEU CB C 13 41.792 0.044 . 1 . . . . A 43 LEU CB . 34868 1 552 . 1 . 1 47 47 LEU CG C 13 26.908 0.076 . 1 . . . . A 43 LEU CG . 34868 1 553 . 1 . 1 47 47 LEU CD1 C 13 25.734 0.038 . 2 . . . . A 43 LEU CD1 . 34868 1 554 . 1 . 1 47 47 LEU CD2 C 13 23.415 0.033 . 2 . . . . A 43 LEU CD2 . 34868 1 555 . 1 . 1 47 47 LEU N N 15 121.491 0.016 . 1 . . . . A 43 LEU N . 34868 1 556 . 1 . 1 48 48 ALA H H 1 8.138 0.011 . 1 . . . . A 44 ALA H . 34868 1 557 . 1 . 1 48 48 ALA HA H 1 3.695 0.005 . 1 . . . . A 44 ALA HA . 34868 1 558 . 1 . 1 48 48 ALA HB1 H 1 1.374 0.006 . 1 . . . . A 44 ALA HB1 . 34868 1 559 . 1 . 1 48 48 ALA HB2 H 1 1.374 0.006 . 1 . . . . A 44 ALA HB2 . 34868 1 560 . 1 . 1 48 48 ALA HB3 H 1 1.374 0.006 . 1 . . . . A 44 ALA HB3 . 34868 1 561 . 1 . 1 48 48 ALA C C 13 178.515 0.000 . 1 . . . . A 44 ALA C . 34868 1 562 . 1 . 1 48 48 ALA CA C 13 56.204 0.019 . 1 . . . . A 44 ALA CA . 34868 1 563 . 1 . 1 48 48 ALA CB C 13 17.309 0.018 . 1 . . . . A 44 ALA CB . 34868 1 564 . 1 . 1 48 48 ALA N N 15 120.588 0.026 . 1 . . . . A 44 ALA N . 34868 1 565 . 1 . 1 49 49 SER H H 1 7.869 0.012 . 1 . . . . A 45 SER H . 34868 1 566 . 1 . 1 49 49 SER HA H 1 4.286 0.003 . 1 . . . . A 45 SER HA . 34868 1 567 . 1 . 1 49 49 SER HB2 H 1 4.017 0.017 . 2 . . . . A 45 SER HB2 . 34868 1 568 . 1 . 1 49 49 SER HB3 H 1 4.037 0.008 . 2 . . . . A 45 SER HB3 . 34868 1 569 . 1 . 1 49 49 SER C C 13 177.616 0.000 . 1 . . . . A 45 SER C . 34868 1 570 . 1 . 1 49 49 SER CA C 13 61.405 0.036 . 1 . . . . A 45 SER CA . 34868 1 571 . 1 . 1 49 49 SER CB C 13 63.127 0.043 . 1 . . . . A 45 SER CB . 34868 1 572 . 1 . 1 49 49 SER N N 15 110.210 0.020 . 1 . . . . A 45 SER N . 34868 1 573 . 1 . 1 50 50 ARG H H 1 8.353 0.013 . 1 . . . . A 46 ARG H . 34868 1 574 . 1 . 1 50 50 ARG HA H 1 4.145 0.006 . 1 . . . . A 46 ARG HA . 34868 1 575 . 1 . 1 50 50 ARG HB2 H 1 2.123 0.001 . 2 . . . . A 46 ARG HB2 . 34868 1 576 . 1 . 1 50 50 ARG HB3 H 1 1.916 0.000 . 2 . . . . A 46 ARG HB3 . 34868 1 577 . 1 . 1 50 50 ARG HG2 H 1 1.749 0.006 . 1 . . . . A 46 ARG HG2 . 34868 1 578 . 1 . 1 50 50 ARG HG3 H 1 1.749 0.006 . 1 . . . . A 46 ARG HG3 . 34868 1 579 . 1 . 1 50 50 ARG HD2 H 1 3.168 0.000 . 2 . . . . A 46 ARG HD2 . 34868 1 580 . 1 . 1 50 50 ARG HD3 H 1 3.288 0.011 . 2 . . . . A 46 ARG HD3 . 34868 1 581 . 1 . 1 50 50 ARG C C 13 177.874 0.000 . 1 . . . . A 46 ARG C . 34868 1 582 . 1 . 1 50 50 ARG CA C 13 59.090 0.014 . 1 . . . . A 46 ARG CA . 34868 1 583 . 1 . 1 50 50 ARG CB C 13 29.890 0.015 . 1 . . . . A 46 ARG CB . 34868 1 584 . 1 . 1 50 50 ARG CG C 13 26.754 0.013 . 1 . . . . A 46 ARG CG . 34868 1 585 . 1 . 1 50 50 ARG CD C 13 42.845 0.088 . 1 . . . . A 46 ARG CD . 34868 1 586 . 1 . 1 50 50 ARG N N 15 121.635 0.018 . 1 . . . . A 46 ARG N . 34868 1 587 . 1 . 1 51 51 LEU H H 1 8.530 0.013 . 1 . . . . A 47 LEU H . 34868 1 588 . 1 . 1 51 51 LEU HA H 1 4.078 0.008 . 1 . . . . A 47 LEU HA . 34868 1 589 . 1 . 1 51 51 LEU HB2 H 1 1.501 0.006 . 2 . . . . A 47 LEU HB2 . 34868 1 590 . 1 . 1 51 51 LEU HB3 H 1 2.119 0.015 . 2 . . . . A 47 LEU HB3 . 34868 1 591 . 1 . 1 51 51 LEU HG H 1 2.315 0.017 . 1 . . . . A 47 LEU HG . 34868 1 592 . 1 . 1 51 51 LEU HD11 H 1 0.953 0.012 . 2 . . . . A 47 LEU HD11 . 34868 1 593 . 1 . 1 51 51 LEU HD12 H 1 0.953 0.012 . 2 . . . . A 47 LEU HD12 . 34868 1 594 . 1 . 1 51 51 LEU HD13 H 1 0.953 0.012 . 2 . . . . A 47 LEU HD13 . 34868 1 595 . 1 . 1 51 51 LEU HD21 H 1 0.955 0.012 . 2 . . . . A 47 LEU HD21 . 34868 1 596 . 1 . 1 51 51 LEU HD22 H 1 0.955 0.012 . 2 . . . . A 47 LEU HD22 . 34868 1 597 . 1 . 1 51 51 LEU HD23 H 1 0.955 0.012 . 2 . . . . A 47 LEU HD23 . 34868 1 598 . 1 . 1 51 51 LEU C C 13 178.832 0.000 . 1 . . . . A 47 LEU C . 34868 1 599 . 1 . 1 51 51 LEU CA C 13 57.976 0.073 . 1 . . . . A 47 LEU CA . 34868 1 600 . 1 . 1 51 51 LEU CB C 13 41.135 0.017 . 1 . . . . A 47 LEU CB . 34868 1 601 . 1 . 1 51 51 LEU CG C 13 26.567 0.009 . 1 . . . . A 47 LEU CG . 34868 1 602 . 1 . 1 51 51 LEU CD1 C 13 27.036 0.049 . 2 . . . . A 47 LEU CD1 . 34868 1 603 . 1 . 1 51 51 LEU CD2 C 13 27.021 0.040 . 2 . . . . A 47 LEU CD2 . 34868 1 604 . 1 . 1 51 51 LEU N N 15 116.828 0.021 . 1 . . . . A 47 LEU N . 34868 1 605 . 1 . 1 52 52 GLN H H 1 8.428 0.014 . 1 . . . . A 48 GLN H . 34868 1 606 . 1 . 1 52 52 GLN HA H 1 4.666 0.004 . 1 . . . . A 48 GLN HA . 34868 1 607 . 1 . 1 52 52 GLN HB2 H 1 2.284 0.003 . 2 . . . . A 48 GLN HB2 . 34868 1 608 . 1 . 1 52 52 GLN HB3 H 1 2.497 0.006 . 2 . . . . A 48 GLN HB3 . 34868 1 609 . 1 . 1 52 52 GLN HG2 H 1 2.748 0.001 . 2 . . . . A 48 GLN HG2 . 34868 1 610 . 1 . 1 52 52 GLN HG3 H 1 2.414 0.000 . 2 . . . . A 48 GLN HG3 . 34868 1 611 . 1 . 1 52 52 GLN HE21 H 1 6.742 0.002 . 1 . . . . A 48 GLN HE21 . 34868 1 612 . 1 . 1 52 52 GLN HE22 H 1 7.402 0.002 . 1 . . . . A 48 GLN HE22 . 34868 1 613 . 1 . 1 52 52 GLN C C 13 179.828 0.000 . 1 . . . . A 48 GLN C . 34868 1 614 . 1 . 1 52 52 GLN CA C 13 59.418 0.031 . 1 . . . . A 48 GLN CA . 34868 1 615 . 1 . 1 52 52 GLN CB C 13 28.659 0.029 . 1 . . . . A 48 GLN CB . 34868 1 616 . 1 . 1 52 52 GLN CG C 13 33.559 0.042 . 1 . . . . A 48 GLN CG . 34868 1 617 . 1 . 1 52 52 GLN N N 15 120.408 0.025 . 1 . . . . A 48 GLN N . 34868 1 618 . 1 . 1 52 52 GLN NE2 N 15 110.132 0.024 . 1 . . . . A 48 GLN NE2 . 34868 1 619 . 1 . 1 53 53 LYS H H 1 7.684 0.009 . 1 . . . . A 49 LYS H . 34868 1 620 . 1 . 1 53 53 LYS HA H 1 4.105 0.012 . 1 . . . . A 49 LYS HA . 34868 1 621 . 1 . 1 53 53 LYS HB2 H 1 2.016 0.004 . 1 . . . . A 49 LYS HB2 . 34868 1 622 . 1 . 1 53 53 LYS HB3 H 1 2.016 0.004 . 1 . . . . A 49 LYS HB3 . 34868 1 623 . 1 . 1 53 53 LYS HG2 H 1 1.517 0.020 . 2 . . . . A 49 LYS HG2 . 34868 1 624 . 1 . 1 53 53 LYS HG3 H 1 1.536 0.011 . 2 . . . . A 49 LYS HG3 . 34868 1 625 . 1 . 1 53 53 LYS HD2 H 1 1.715 0.004 . 1 . . . . A 49 LYS HD2 . 34868 1 626 . 1 . 1 53 53 LYS HD3 H 1 1.715 0.004 . 1 . . . . A 49 LYS HD3 . 34868 1 627 . 1 . 1 53 53 LYS HE2 H 1 2.985 0.002 . 1 . . . . A 49 LYS HE2 . 34868 1 628 . 1 . 1 53 53 LYS HE3 H 1 2.986 0.001 . 1 . . . . A 49 LYS HE3 . 34868 1 629 . 1 . 1 53 53 LYS C C 13 178.625 0.000 . 1 . . . . A 49 LYS C . 34868 1 630 . 1 . 1 53 53 LYS CA C 13 58.919 0.075 . 1 . . . . A 49 LYS CA . 34868 1 631 . 1 . 1 53 53 LYS CB C 13 32.366 0.065 . 1 . . . . A 49 LYS CB . 34868 1 632 . 1 . 1 53 53 LYS CG C 13 25.042 0.058 . 1 . . . . A 49 LYS CG . 34868 1 633 . 1 . 1 53 53 LYS CD C 13 28.992 0.025 . 1 . . . . A 49 LYS CD . 34868 1 634 . 1 . 1 53 53 LYS CE C 13 42.190 0.073 . 1 . . . . A 49 LYS CE . 34868 1 635 . 1 . 1 53 53 LYS N N 15 119.346 0.020 . 1 . . . . A 49 LYS N . 34868 1 636 . 1 . 1 54 54 ILE H H 1 8.208 0.011 . 1 . . . . A 50 ILE H . 34868 1 637 . 1 . 1 54 54 ILE HA H 1 3.603 0.004 . 1 . . . . A 50 ILE HA . 34868 1 638 . 1 . 1 54 54 ILE HB H 1 1.212 0.004 . 1 . . . . A 50 ILE HB . 34868 1 639 . 1 . 1 54 54 ILE HG12 H 1 1.675 0.004 . 2 . . . . A 50 ILE HG12 . 34868 1 640 . 1 . 1 54 54 ILE HG13 H 1 0.818 0.034 . 2 . . . . A 50 ILE HG13 . 34868 1 641 . 1 . 1 54 54 ILE HG21 H 1 0.046 0.003 . 1 . . . . A 50 ILE HG21 . 34868 1 642 . 1 . 1 54 54 ILE HG22 H 1 0.046 0.003 . 1 . . . . A 50 ILE HG22 . 34868 1 643 . 1 . 1 54 54 ILE HG23 H 1 0.046 0.003 . 1 . . . . A 50 ILE HG23 . 34868 1 644 . 1 . 1 54 54 ILE HD11 H 1 0.609 0.006 . 1 . . . . A 50 ILE HD11 . 34868 1 645 . 1 . 1 54 54 ILE HD12 H 1 0.609 0.006 . 1 . . . . A 50 ILE HD12 . 34868 1 646 . 1 . 1 54 54 ILE HD13 H 1 0.609 0.006 . 1 . . . . A 50 ILE HD13 . 34868 1 647 . 1 . 1 54 54 ILE CA C 13 65.119 0.101 . 1 . . . . A 50 ILE CA . 34868 1 648 . 1 . 1 54 54 ILE CB C 13 39.556 0.042 . 1 . . . . A 50 ILE CB . 34868 1 649 . 1 . 1 54 54 ILE CG1 C 13 28.410 0.059 . 1 . . . . A 50 ILE CG1 . 34868 1 650 . 1 . 1 54 54 ILE CG2 C 13 16.569 0.026 . 1 . . . . A 50 ILE CG2 . 34868 1 651 . 1 . 1 54 54 ILE CD1 C 13 13.939 0.026 . 1 . . . . A 50 ILE CD1 . 34868 1 652 . 1 . 1 54 54 ILE N N 15 117.128 0.028 . 1 . . . . A 50 ILE N . 34868 1 653 . 1 . 1 55 55 PHE HA H 1 4.757 0.011 . 1 . . . . A 51 PHE HA . 34868 1 654 . 1 . 1 55 55 PHE HB2 H 1 2.899 0.003 . 2 . . . . A 51 PHE HB2 . 34868 1 655 . 1 . 1 55 55 PHE HB3 H 1 3.153 0.003 . 2 . . . . A 51 PHE HB3 . 34868 1 656 . 1 . 1 55 55 PHE HD1 H 1 7.450 0.000 . 1 . . . . A 51 PHE HD1 . 34868 1 657 . 1 . 1 55 55 PHE HD2 H 1 7.450 0.000 . 1 . . . . A 51 PHE HD2 . 34868 1 658 . 1 . 1 55 55 PHE HE1 H 1 7.223 0.000 . 1 . . . . A 51 PHE HE1 . 34868 1 659 . 1 . 1 55 55 PHE HE2 H 1 7.223 0.000 . 1 . . . . A 51 PHE HE2 . 34868 1 660 . 1 . 1 55 55 PHE C C 13 177.199 0.000 . 1 . . . . A 51 PHE C . 34868 1 661 . 1 . 1 55 55 PHE CA C 13 58.957 0.044 . 1 . . . . A 51 PHE CA . 34868 1 662 . 1 . 1 55 55 PHE CB C 13 40.599 0.011 . 1 . . . . A 51 PHE CB . 34868 1 663 . 1 . 1 55 55 PHE CD1 C 13 132.181 0.000 . 1 . . . . A 51 PHE CD1 . 34868 1 664 . 1 . 1 55 55 PHE CD2 C 13 132.181 0.000 . 1 . . . . A 51 PHE CD2 . 34868 1 665 . 1 . 1 55 55 PHE CE1 C 13 131.438 0.000 . 1 . . . . A 51 PHE CE1 . 34868 1 666 . 1 . 1 55 55 PHE CE2 C 13 131.438 0.000 . 1 . . . . A 51 PHE CE2 . 34868 1 667 . 1 . 1 56 56 GLY H H 1 8.262 0.011 . 1 . . . . A 52 GLY H . 34868 1 668 . 1 . 1 56 56 GLY HA2 H 1 4.000 0.004 . 1 . . . . A 52 GLY HA2 . 34868 1 669 . 1 . 1 56 56 GLY HA3 H 1 4.000 0.004 . 1 . . . . A 52 GLY HA3 . 34868 1 670 . 1 . 1 56 56 GLY C C 13 173.842 0.000 . 1 . . . . A 52 GLY C . 34868 1 671 . 1 . 1 56 56 GLY CA C 13 47.051 0.037 . 1 . . . . A 52 GLY CA . 34868 1 672 . 1 . 1 56 56 GLY N N 15 109.397 0.031 . 1 . . . . A 52 GLY N . 34868 1 673 . 1 . 1 57 57 VAL H H 1 6.833 0.010 . 1 . . . . A 53 VAL H . 34868 1 674 . 1 . 1 57 57 VAL HA H 1 4.488 0.002 . 1 . . . . A 53 VAL HA . 34868 1 675 . 1 . 1 57 57 VAL HB H 1 1.955 0.002 . 1 . . . . A 53 VAL HB . 34868 1 676 . 1 . 1 57 57 VAL HG11 H 1 0.771 0.010 . 2 . . . . A 53 VAL HG11 . 34868 1 677 . 1 . 1 57 57 VAL HG12 H 1 0.771 0.010 . 2 . . . . A 53 VAL HG12 . 34868 1 678 . 1 . 1 57 57 VAL HG13 H 1 0.771 0.010 . 2 . . . . A 53 VAL HG13 . 34868 1 679 . 1 . 1 57 57 VAL HG21 H 1 0.669 0.010 . 2 . . . . A 53 VAL HG21 . 34868 1 680 . 1 . 1 57 57 VAL HG22 H 1 0.669 0.010 . 2 . . . . A 53 VAL HG22 . 34868 1 681 . 1 . 1 57 57 VAL HG23 H 1 0.669 0.010 . 2 . . . . A 53 VAL HG23 . 34868 1 682 . 1 . 1 57 57 VAL C C 13 173.678 0.000 . 1 . . . . A 53 VAL C . 34868 1 683 . 1 . 1 57 57 VAL CA C 13 58.263 0.052 . 1 . . . . A 53 VAL CA . 34868 1 684 . 1 . 1 57 57 VAL CB C 13 34.672 0.043 . 1 . . . . A 53 VAL CB . 34868 1 685 . 1 . 1 57 57 VAL CG1 C 13 21.465 0.027 . 2 . . . . A 53 VAL CG1 . 34868 1 686 . 1 . 1 57 57 VAL CG2 C 13 19.075 0.067 . 2 . . . . A 53 VAL CG2 . 34868 1 687 . 1 . 1 57 57 VAL N N 15 111.467 0.018 . 1 . . . . A 53 VAL N . 34868 1 688 . 1 . 1 58 58 GLU H H 1 8.269 0.011 . 1 . . . . A 54 GLU H . 34868 1 689 . 1 . 1 58 58 GLU HA H 1 4.113 0.005 . 1 . . . . A 54 GLU HA . 34868 1 690 . 1 . 1 58 58 GLU HB2 H 1 1.960 0.006 . 2 . . . . A 54 GLU HB2 . 34868 1 691 . 1 . 1 58 58 GLU HB3 H 1 1.948 0.012 . 2 . . . . A 54 GLU HB3 . 34868 1 692 . 1 . 1 58 58 GLU HG2 H 1 2.235 0.027 . 2 . . . . A 54 GLU HG2 . 34868 1 693 . 1 . 1 58 58 GLU HG3 H 1 2.261 0.025 . 2 . . . . A 54 GLU HG3 . 34868 1 694 . 1 . 1 58 58 GLU C C 13 176.391 0.000 . 1 . . . . A 54 GLU C . 34868 1 695 . 1 . 1 58 58 GLU CA C 13 57.314 0.036 . 1 . . . . A 54 GLU CA . 34868 1 696 . 1 . 1 58 58 GLU CB C 13 29.474 0.030 . 1 . . . . A 54 GLU CB . 34868 1 697 . 1 . 1 58 58 GLU CG C 13 36.682 0.067 . 1 . . . . A 54 GLU CG . 34868 1 698 . 1 . 1 58 58 GLU N N 15 121.660 0.026 . 1 . . . . A 54 GLU N . 34868 1 699 . 1 . 1 59 59 VAL H H 1 7.997 0.011 . 1 . . . . A 55 VAL H . 34868 1 700 . 1 . 1 59 59 VAL HA H 1 4.560 0.003 . 1 . . . . A 55 VAL HA . 34868 1 701 . 1 . 1 59 59 VAL HB H 1 2.337 0.005 . 1 . . . . A 55 VAL HB . 34868 1 702 . 1 . 1 59 59 VAL HG11 H 1 1.006 0.009 . 2 . . . . A 55 VAL HG11 . 34868 1 703 . 1 . 1 59 59 VAL HG12 H 1 1.006 0.009 . 2 . . . . A 55 VAL HG12 . 34868 1 704 . 1 . 1 59 59 VAL HG13 H 1 1.006 0.009 . 2 . . . . A 55 VAL HG13 . 34868 1 705 . 1 . 1 59 59 VAL HG21 H 1 0.978 0.015 . 2 . . . . A 55 VAL HG21 . 34868 1 706 . 1 . 1 59 59 VAL HG22 H 1 0.978 0.015 . 2 . . . . A 55 VAL HG22 . 34868 1 707 . 1 . 1 59 59 VAL HG23 H 1 0.978 0.015 . 2 . . . . A 55 VAL HG23 . 34868 1 708 . 1 . 1 59 59 VAL C C 13 173.840 0.000 . 1 . . . . A 55 VAL C . 34868 1 709 . 1 . 1 59 59 VAL CA C 13 61.888 0.040 . 1 . . . . A 55 VAL CA . 34868 1 710 . 1 . 1 59 59 VAL CB C 13 34.299 0.025 . 1 . . . . A 55 VAL CB . 34868 1 711 . 1 . 1 59 59 VAL CG1 C 13 21.829 0.067 . 2 . . . . A 55 VAL CG1 . 34868 1 712 . 1 . 1 59 59 VAL CG2 C 13 21.135 0.017 . 2 . . . . A 55 VAL CG2 . 34868 1 713 . 1 . 1 59 59 VAL N N 15 125.279 0.027 . 1 . . . . A 55 VAL N . 34868 1 714 . 1 . 1 60 60 SER H H 1 9.935 0.009 . 1 . . . . A 56 SER H . 34868 1 715 . 1 . 1 60 60 SER HA H 1 5.041 0.004 . 1 . . . . A 56 SER HA . 34868 1 716 . 1 . 1 60 60 SER HB2 H 1 4.338 0.005 . 2 . . . . A 56 SER HB2 . 34868 1 717 . 1 . 1 60 60 SER HB3 H 1 3.981 0.008 . 2 . . . . A 56 SER HB3 . 34868 1 718 . 1 . 1 60 60 SER C C 13 176.398 0.000 . 1 . . . . A 56 SER C . 34868 1 719 . 1 . 1 60 60 SER CA C 13 56.138 0.036 . 1 . . . . A 56 SER CA . 34868 1 720 . 1 . 1 60 60 SER CB C 13 67.239 0.067 . 1 . . . . A 56 SER CB . 34868 1 721 . 1 . 1 60 60 SER N N 15 123.676 0.024 . 1 . . . . A 56 SER N . 34868 1 722 . 1 . 1 61 61 THR H H 1 8.818 0.017 . 1 . . . . A 57 THR H . 34868 1 723 . 1 . 1 61 61 THR HA H 1 3.601 0.005 . 1 . . . . A 57 THR HA . 34868 1 724 . 1 . 1 61 61 THR HB H 1 4.123 0.005 . 1 . . . . A 57 THR HB . 34868 1 725 . 1 . 1 61 61 THR HG21 H 1 1.277 0.006 . 1 . . . . A 57 THR HG21 . 34868 1 726 . 1 . 1 61 61 THR HG22 H 1 1.277 0.006 . 1 . . . . A 57 THR HG22 . 34868 1 727 . 1 . 1 61 61 THR HG23 H 1 1.277 0.006 . 1 . . . . A 57 THR HG23 . 34868 1 728 . 1 . 1 61 61 THR C C 13 176.457 0.000 . 1 . . . . A 57 THR C . 34868 1 729 . 1 . 1 61 61 THR CA C 13 66.915 0.047 . 1 . . . . A 57 THR CA . 34868 1 730 . 1 . 1 61 61 THR CB C 13 67.893 0.079 . 1 . . . . A 57 THR CB . 34868 1 731 . 1 . 1 61 61 THR CG2 C 13 23.499 0.032 . 1 . . . . A 57 THR CG2 . 34868 1 732 . 1 . 1 61 61 THR N N 15 116.140 0.049 . 1 . . . . A 57 THR N . 34868 1 733 . 1 . 1 62 62 GLU H H 1 8.254 0.015 . 1 . . . . A 58 GLU H . 34868 1 734 . 1 . 1 62 62 GLU HA H 1 4.008 0.015 . 1 . . . . A 58 GLU HA . 34868 1 735 . 1 . 1 62 62 GLU HB2 H 1 1.999 0.006 . 2 . . . . A 58 GLU HB2 . 34868 1 736 . 1 . 1 62 62 GLU HB3 H 1 1.913 0.015 . 2 . . . . A 58 GLU HB3 . 34868 1 737 . 1 . 1 62 62 GLU HG2 H 1 2.284 0.006 . 1 . . . . A 58 GLU HG2 . 34868 1 738 . 1 . 1 62 62 GLU C C 13 178.668 0.000 . 1 . . . . A 58 GLU C . 34868 1 739 . 1 . 1 62 62 GLU CA C 13 60.024 0.052 . 1 . . . . A 58 GLU CA . 34868 1 740 . 1 . 1 62 62 GLU CB C 13 29.079 0.049 . 1 . . . . A 58 GLU CB . 34868 1 741 . 1 . 1 62 62 GLU CG C 13 36.877 0.102 . 1 . . . . A 58 GLU CG . 34868 1 742 . 1 . 1 62 62 GLU N N 15 119.653 0.025 . 1 . . . . A 58 GLU N . 34868 1 743 . 1 . 1 63 63 ASP H H 1 7.674 0.012 . 1 . . . . A 59 ASP H . 34868 1 744 . 1 . 1 63 63 ASP HA H 1 4.145 0.010 . 1 . . . . A 59 ASP HA . 34868 1 745 . 1 . 1 63 63 ASP HB2 H 1 2.966 0.006 . 2 . . . . A 59 ASP HB2 . 34868 1 746 . 1 . 1 63 63 ASP HB3 H 1 1.818 0.011 . 2 . . . . A 59 ASP HB3 . 34868 1 747 . 1 . 1 63 63 ASP C C 13 177.984 0.000 . 1 . . . . A 59 ASP C . 34868 1 748 . 1 . 1 63 63 ASP CA C 13 57.735 0.069 . 1 . . . . A 59 ASP CA . 34868 1 749 . 1 . 1 63 63 ASP CB C 13 41.236 0.016 . 1 . . . . A 59 ASP CB . 34868 1 750 . 1 . 1 63 63 ASP N N 15 119.178 0.032 . 1 . . . . A 59 ASP N . 34868 1 751 . 1 . 1 64 64 VAL H H 1 7.295 0.008 . 1 . . . . A 60 VAL H . 34868 1 752 . 1 . 1 64 64 VAL HA H 1 3.333 0.006 . 1 . . . . A 60 VAL HA . 34868 1 753 . 1 . 1 64 64 VAL HB H 1 1.905 0.010 . 1 . . . . A 60 VAL HB . 34868 1 754 . 1 . 1 64 64 VAL HG11 H 1 0.014 0.014 . 2 . . . . A 60 VAL HG11 . 34868 1 755 . 1 . 1 64 64 VAL HG12 H 1 0.014 0.014 . 2 . . . . A 60 VAL HG12 . 34868 1 756 . 1 . 1 64 64 VAL HG13 H 1 0.014 0.014 . 2 . . . . A 60 VAL HG13 . 34868 1 757 . 1 . 1 64 64 VAL HG21 H 1 0.771 0.005 . 2 . . . . A 60 VAL HG21 . 34868 1 758 . 1 . 1 64 64 VAL HG22 H 1 0.771 0.005 . 2 . . . . A 60 VAL HG22 . 34868 1 759 . 1 . 1 64 64 VAL HG23 H 1 0.771 0.005 . 2 . . . . A 60 VAL HG23 . 34868 1 760 . 1 . 1 64 64 VAL C C 13 176.254 0.000 . 1 . . . . A 60 VAL C . 34868 1 761 . 1 . 1 64 64 VAL CA C 13 66.138 0.035 . 1 . . . . A 60 VAL CA . 34868 1 762 . 1 . 1 64 64 VAL CB C 13 30.938 0.025 . 1 . . . . A 60 VAL CB . 34868 1 763 . 1 . 1 64 64 VAL CG1 C 13 21.719 0.030 . 2 . . . . A 60 VAL CG1 . 34868 1 764 . 1 . 1 64 64 VAL CG2 C 13 21.719 0.034 . 2 . . . . A 60 VAL CG2 . 34868 1 765 . 1 . 1 64 64 VAL N N 15 119.430 0.051 . 1 . . . . A 60 VAL N . 34868 1 766 . 1 . 1 65 65 PHE H H 1 7.370 0.008 . 1 . . . . A 61 PHE H . 34868 1 767 . 1 . 1 65 65 PHE HA H 1 4.156 0.004 . 1 . . . . A 61 PHE HA . 34868 1 768 . 1 . 1 65 65 PHE HB2 H 1 3.034 0.020 . 2 . . . . A 61 PHE HB2 . 34868 1 769 . 1 . 1 65 65 PHE HB3 H 1 3.054 0.015 . 2 . . . . A 61 PHE HB3 . 34868 1 770 . 1 . 1 65 65 PHE HD1 H 1 7.114 0.000 . 1 . . . . A 61 PHE HD1 . 34868 1 771 . 1 . 1 65 65 PHE HD2 H 1 7.114 0.000 . 1 . . . . A 61 PHE HD2 . 34868 1 772 . 1 . 1 65 65 PHE HE1 H 1 7.157 0.000 . 1 . . . . A 61 PHE HE1 . 34868 1 773 . 1 . 1 65 65 PHE HE2 H 1 7.157 0.000 . 1 . . . . A 61 PHE HE2 . 34868 1 774 . 1 . 1 65 65 PHE C C 13 178.319 0.010 . 1 . . . . A 61 PHE C . 34868 1 775 . 1 . 1 65 65 PHE CA C 13 60.441 0.064 . 1 . . . . A 61 PHE CA . 34868 1 776 . 1 . 1 65 65 PHE CB C 13 38.987 0.047 . 1 . . . . A 61 PHE CB . 34868 1 777 . 1 . 1 65 65 PHE CD1 C 13 131.584 0.000 . 1 . . . . A 61 PHE CD1 . 34868 1 778 . 1 . 1 65 65 PHE CD2 C 13 131.584 0.000 . 1 . . . . A 61 PHE CD2 . 34868 1 779 . 1 . 1 65 65 PHE CE1 C 13 131.521 0.000 . 1 . . . . A 61 PHE CE1 . 34868 1 780 . 1 . 1 65 65 PHE CE2 C 13 131.521 0.000 . 1 . . . . A 61 PHE CE2 . 34868 1 781 . 1 . 1 65 65 PHE N N 15 114.911 0.027 . 1 . . . . A 61 PHE N . 34868 1 782 . 1 . 1 66 66 ARG H H 1 7.885 0.011 . 1 . . . . A 62 ARG H . 34868 1 783 . 1 . 1 66 66 ARG HA H 1 3.888 0.004 . 1 . . . . A 62 ARG HA . 34868 1 784 . 1 . 1 66 66 ARG HB2 H 1 1.310 0.008 . 2 . . . . A 62 ARG HB2 . 34868 1 785 . 1 . 1 66 66 ARG HB3 H 1 1.602 0.003 . 2 . . . . A 62 ARG HB3 . 34868 1 786 . 1 . 1 66 66 ARG HG2 H 1 1.182 0.013 . 2 . . . . A 62 ARG HG2 . 34868 1 787 . 1 . 1 66 66 ARG HG3 H 1 1.424 0.011 . 2 . . . . A 62 ARG HG3 . 34868 1 788 . 1 . 1 66 66 ARG HD2 H 1 3.054 0.024 . 2 . . . . A 62 ARG HD2 . 34868 1 789 . 1 . 1 66 66 ARG HD3 H 1 3.031 0.017 . 2 . . . . A 62 ARG HD3 . 34868 1 790 . 1 . 1 66 66 ARG C C 13 176.143 0.000 . 1 . . . . A 62 ARG C . 34868 1 791 . 1 . 1 66 66 ARG CA C 13 58.221 0.023 . 1 . . . . A 62 ARG CA . 34868 1 792 . 1 . 1 66 66 ARG CB C 13 30.951 0.053 . 1 . . . . A 62 ARG CB . 34868 1 793 . 1 . 1 66 66 ARG CG C 13 27.869 0.039 . 1 . . . . A 62 ARG CG . 34868 1 794 . 1 . 1 66 66 ARG CD C 13 43.187 0.015 . 1 . . . . A 62 ARG CD . 34868 1 795 . 1 . 1 66 66 ARG N N 15 116.928 0.021 . 1 . . . . A 62 ARG N . 34868 1 796 . 1 . 1 67 67 HIS H H 1 7.587 0.010 . 1 . . . . A 63 HIS H . 34868 1 797 . 1 . 1 67 67 HIS HA H 1 4.689 0.004 . 1 . . . . A 63 HIS HA . 34868 1 798 . 1 . 1 67 67 HIS HB2 H 1 2.566 0.010 . 2 . . . . A 63 HIS HB2 . 34868 1 799 . 1 . 1 67 67 HIS HB3 H 1 3.019 0.007 . 2 . . . . A 63 HIS HB3 . 34868 1 800 . 1 . 1 67 67 HIS HD2 H 1 6.622 0.014 . 1 . . . . A 63 HIS HD2 . 34868 1 801 . 1 . 1 67 67 HIS HE1 H 1 7.765 0.000 . 1 . . . . A 63 HIS HE1 . 34868 1 802 . 1 . 1 67 67 HIS C C 13 175.791 0.000 . 1 . . . . A 63 HIS C . 34868 1 803 . 1 . 1 67 67 HIS CA C 13 55.018 0.038 . 1 . . . . A 63 HIS CA . 34868 1 804 . 1 . 1 67 67 HIS CB C 13 28.294 0.014 . 1 . . . . A 63 HIS CB . 34868 1 805 . 1 . 1 67 67 HIS CD2 C 13 121.728 0.000 . 1 . . . . A 63 HIS CD2 . 34868 1 806 . 1 . 1 67 67 HIS N N 15 120.027 0.027 . 1 . . . . A 63 HIS N . 34868 1 807 . 1 . 1 68 68 GLY H H 1 7.261 0.010 . 1 . . . . A 64 GLY H . 34868 1 808 . 1 . 1 68 68 GLY HA2 H 1 3.733 0.007 . 2 . . . . A 64 GLY HA2 . 34868 1 809 . 1 . 1 68 68 GLY HA3 H 1 4.364 0.006 . 2 . . . . A 64 GLY HA3 . 34868 1 810 . 1 . 1 68 68 GLY C C 13 174.912 0.000 . 1 . . . . A 64 GLY C . 34868 1 811 . 1 . 1 68 68 GLY CA C 13 49.428 0.021 . 1 . . . . A 64 GLY CA . 34868 1 812 . 1 . 1 68 68 GLY N N 15 103.923 0.048 . 1 . . . . A 64 GLY N . 34868 1 813 . 1 . 1 69 69 THR H H 1 7.717 0.008 . 1 . . . . A 65 THR H . 34868 1 814 . 1 . 1 69 69 THR HA H 1 3.833 0.015 . 1 . . . . A 65 THR HA . 34868 1 815 . 1 . 1 69 69 THR HB H 1 4.171 0.009 . 1 . . . . A 65 THR HB . 34868 1 816 . 1 . 1 69 69 THR HG21 H 1 0.837 0.005 . 1 . . . . A 65 THR HG21 . 34868 1 817 . 1 . 1 69 69 THR HG22 H 1 0.837 0.005 . 1 . . . . A 65 THR HG22 . 34868 1 818 . 1 . 1 69 69 THR HG23 H 1 0.837 0.005 . 1 . . . . A 65 THR HG23 . 34868 1 819 . 1 . 1 69 69 THR C C 13 173.958 0.000 . 1 . . . . A 65 THR C . 34868 1 820 . 1 . 1 69 69 THR CA C 13 58.353 0.020 . 1 . . . . A 65 THR CA . 34868 1 821 . 1 . 1 69 69 THR CB C 13 73.332 0.068 . 1 . . . . A 65 THR CB . 34868 1 822 . 1 . 1 69 69 THR CG2 C 13 21.537 0.032 . 1 . . . . A 65 THR CG2 . 34868 1 823 . 1 . 1 69 69 THR N N 15 111.000 0.035 . 1 . . . . A 65 THR N . 34868 1 824 . 1 . 1 70 70 VAL H H 1 9.980 0.010 . 1 . . . . A 66 VAL H . 34868 1 825 . 1 . 1 70 70 VAL HA H 1 3.579 0.004 . 1 . . . . A 66 VAL HA . 34868 1 826 . 1 . 1 70 70 VAL HB H 1 2.278 0.003 . 1 . . . . A 66 VAL HB . 34868 1 827 . 1 . 1 70 70 VAL HG11 H 1 1.315 0.008 . 2 . . . . A 66 VAL HG11 . 34868 1 828 . 1 . 1 70 70 VAL HG12 H 1 1.315 0.008 . 2 . . . . A 66 VAL HG12 . 34868 1 829 . 1 . 1 70 70 VAL HG13 H 1 1.315 0.008 . 2 . . . . A 66 VAL HG13 . 34868 1 830 . 1 . 1 70 70 VAL HG21 H 1 1.108 0.002 . 2 . . . . A 66 VAL HG21 . 34868 1 831 . 1 . 1 70 70 VAL HG22 H 1 1.108 0.002 . 2 . . . . A 66 VAL HG22 . 34868 1 832 . 1 . 1 70 70 VAL HG23 H 1 1.108 0.002 . 2 . . . . A 66 VAL HG23 . 34868 1 833 . 1 . 1 70 70 VAL C C 13 177.348 0.000 . 1 . . . . A 66 VAL C . 34868 1 834 . 1 . 1 70 70 VAL CA C 13 67.566 0.033 . 1 . . . . A 66 VAL CA . 34868 1 835 . 1 . 1 70 70 VAL CB C 13 30.690 0.049 . 1 . . . . A 66 VAL CB . 34868 1 836 . 1 . 1 70 70 VAL CG1 C 13 23.617 0.023 . 2 . . . . A 66 VAL CG1 . 34868 1 837 . 1 . 1 70 70 VAL CG2 C 13 22.749 0.023 . 2 . . . . A 66 VAL CG2 . 34868 1 838 . 1 . 1 70 70 VAL N N 15 123.578 0.024 . 1 . . . . A 66 VAL N . 34868 1 839 . 1 . 1 71 71 GLU H H 1 8.366 0.012 . 1 . . . . A 67 GLU H . 34868 1 840 . 1 . 1 71 71 GLU HA H 1 3.932 0.007 . 1 . . . . A 67 GLU HA . 34868 1 841 . 1 . 1 71 71 GLU HB2 H 1 1.991 0.007 . 2 . . . . A 67 GLU HB2 . 34868 1 842 . 1 . 1 71 71 GLU HB3 H 1 1.933 0.012 . 2 . . . . A 67 GLU HB3 . 34868 1 843 . 1 . 1 71 71 GLU HG2 H 1 2.343 0.005 . 2 . . . . A 67 GLU HG2 . 34868 1 844 . 1 . 1 71 71 GLU HG3 H 1 2.080 0.004 . 2 . . . . A 67 GLU HG3 . 34868 1 845 . 1 . 1 71 71 GLU C C 13 179.443 0.000 . 1 . . . . A 67 GLU C . 34868 1 846 . 1 . 1 71 71 GLU CA C 13 59.958 0.041 . 1 . . . . A 67 GLU CA . 34868 1 847 . 1 . 1 71 71 GLU CB C 13 30.269 0.019 . 1 . . . . A 67 GLU CB . 34868 1 848 . 1 . 1 71 71 GLU CG C 13 36.093 0.006 . 1 . . . . A 67 GLU CG . 34868 1 849 . 1 . 1 71 71 GLU N N 15 117.468 0.029 . 1 . . . . A 67 GLU N . 34868 1 850 . 1 . 1 72 72 GLN H H 1 7.775 0.010 . 1 . . . . A 68 GLN H . 34868 1 851 . 1 . 1 72 72 GLN HA H 1 4.091 0.009 . 1 . . . . A 68 GLN HA . 34868 1 852 . 1 . 1 72 72 GLN HB2 H 1 1.941 0.011 . 2 . . . . A 68 GLN HB2 . 34868 1 853 . 1 . 1 72 72 GLN HB3 H 1 2.338 0.004 . 2 . . . . A 68 GLN HB3 . 34868 1 854 . 1 . 1 72 72 GLN HG2 H 1 2.478 0.005 . 2 . . . . A 68 GLN HG2 . 34868 1 855 . 1 . 1 72 72 GLN HG3 H 1 2.479 0.006 . 2 . . . . A 68 GLN HG3 . 34868 1 856 . 1 . 1 72 72 GLN HE21 H 1 7.528 0.000 . 1 . . . . A 68 GLN HE21 . 34868 1 857 . 1 . 1 72 72 GLN HE22 H 1 6.909 0.002 . 1 . . . . A 68 GLN HE22 . 34868 1 858 . 1 . 1 72 72 GLN C C 13 178.852 0.000 . 1 . . . . A 68 GLN C . 34868 1 859 . 1 . 1 72 72 GLN CA C 13 58.735 0.030 . 1 . . . . A 68 GLN CA . 34868 1 860 . 1 . 1 72 72 GLN CB C 13 29.630 0.045 . 1 . . . . A 68 GLN CB . 34868 1 861 . 1 . 1 72 72 GLN CG C 13 34.864 0.008 . 1 . . . . A 68 GLN CG . 34868 1 862 . 1 . 1 72 72 GLN N N 15 116.351 0.011 . 1 . . . . A 68 GLN N . 34868 1 863 . 1 . 1 72 72 GLN NE2 N 15 112.178 0.000 . 1 . . . . A 68 GLN NE2 . 34868 1 864 . 1 . 1 73 73 LEU H H 1 9.177 0.011 . 1 . . . . A 69 LEU H . 34868 1 865 . 1 . 1 73 73 LEU HA H 1 4.219 0.006 . 1 . . . . A 69 LEU HA . 34868 1 866 . 1 . 1 73 73 LEU HB2 H 1 1.977 0.007 . 2 . . . . A 69 LEU HB2 . 34868 1 867 . 1 . 1 73 73 LEU HB3 H 1 2.344 0.017 . 2 . . . . A 69 LEU HB3 . 34868 1 868 . 1 . 1 73 73 LEU HG H 1 1.686 0.004 . 1 . . . . A 69 LEU HG . 34868 1 869 . 1 . 1 73 73 LEU HD11 H 1 0.875 0.006 . 2 . . . . A 69 LEU HD11 . 34868 1 870 . 1 . 1 73 73 LEU HD12 H 1 0.875 0.006 . 2 . . . . A 69 LEU HD12 . 34868 1 871 . 1 . 1 73 73 LEU HD13 H 1 0.875 0.006 . 2 . . . . A 69 LEU HD13 . 34868 1 872 . 1 . 1 73 73 LEU HD21 H 1 0.960 0.001 . 2 . . . . A 69 LEU HD21 . 34868 1 873 . 1 . 1 73 73 LEU HD22 H 1 0.960 0.001 . 2 . . . . A 69 LEU HD22 . 34868 1 874 . 1 . 1 73 73 LEU HD23 H 1 0.960 0.001 . 2 . . . . A 69 LEU HD23 . 34868 1 875 . 1 . 1 73 73 LEU C C 13 178.499 0.000 . 1 . . . . A 69 LEU C . 34868 1 876 . 1 . 1 73 73 LEU CA C 13 57.757 0.035 . 1 . . . . A 69 LEU CA . 34868 1 877 . 1 . 1 73 73 LEU CB C 13 41.644 0.032 . 1 . . . . A 69 LEU CB . 34868 1 878 . 1 . 1 73 73 LEU CG C 13 27.253 0.020 . 1 . . . . A 69 LEU CG . 34868 1 879 . 1 . 1 73 73 LEU CD1 C 13 28.257 0.032 . 2 . . . . A 69 LEU CD1 . 34868 1 880 . 1 . 1 73 73 LEU CD2 C 13 22.886 0.055 . 2 . . . . A 69 LEU CD2 . 34868 1 881 . 1 . 1 73 73 LEU N N 15 124.616 0.013 . 1 . . . . A 69 LEU N . 34868 1 882 . 1 . 1 74 74 ALA H H 1 9.112 0.015 . 1 . . . . A 70 ALA H . 34868 1 883 . 1 . 1 74 74 ALA HA H 1 3.794 0.003 . 1 . . . . A 70 ALA HA . 34868 1 884 . 1 . 1 74 74 ALA HB1 H 1 1.409 0.002 . 1 . . . . A 70 ALA HB1 . 34868 1 885 . 1 . 1 74 74 ALA HB2 H 1 1.409 0.002 . 1 . . . . A 70 ALA HB2 . 34868 1 886 . 1 . 1 74 74 ALA HB3 H 1 1.409 0.002 . 1 . . . . A 70 ALA HB3 . 34868 1 887 . 1 . 1 74 74 ALA C C 13 178.845 0.000 . 1 . . . . A 70 ALA C . 34868 1 888 . 1 . 1 74 74 ALA CA C 13 55.569 0.016 . 1 . . . . A 70 ALA CA . 34868 1 889 . 1 . 1 74 74 ALA CB C 13 18.526 0.025 . 1 . . . . A 70 ALA CB . 34868 1 890 . 1 . 1 74 74 ALA N N 15 120.308 0.029 . 1 . . . . A 70 ALA N . 34868 1 891 . 1 . 1 75 75 ARG H H 1 7.284 0.010 . 1 . . . . A 71 ARG H . 34868 1 892 . 1 . 1 75 75 ARG HA H 1 4.089 0.019 . 1 . . . . A 71 ARG HA . 34868 1 893 . 1 . 1 75 75 ARG HB2 H 1 1.952 0.001 . 2 . . . . A 71 ARG HB2 . 34868 1 894 . 1 . 1 75 75 ARG HB3 H 1 1.953 0.002 . 2 . . . . A 71 ARG HB3 . 34868 1 895 . 1 . 1 75 75 ARG HG2 H 1 1.757 0.017 . 2 . . . . A 71 ARG HG2 . 34868 1 896 . 1 . 1 75 75 ARG HG3 H 1 1.713 0.021 . 2 . . . . A 71 ARG HG3 . 34868 1 897 . 1 . 1 75 75 ARG HD2 H 1 3.251 0.002 . 2 . . . . A 71 ARG HD2 . 34868 1 898 . 1 . 1 75 75 ARG HD3 H 1 3.250 0.006 . 2 . . . . A 71 ARG HD3 . 34868 1 899 . 1 . 1 75 75 ARG C C 13 177.927 0.000 . 1 . . . . A 71 ARG C . 34868 1 900 . 1 . 1 75 75 ARG CA C 13 59.190 0.020 . 1 . . . . A 71 ARG CA . 34868 1 901 . 1 . 1 75 75 ARG CB C 13 29.830 0.056 . 1 . . . . A 71 ARG CB . 34868 1 902 . 1 . 1 75 75 ARG CG C 13 27.210 0.055 . 1 . . . . A 71 ARG CG . 34868 1 903 . 1 . 1 75 75 ARG CD C 13 43.470 0.024 . 1 . . . . A 71 ARG CD . 34868 1 904 . 1 . 1 75 75 ARG N N 15 117.125 0.019 . 1 . . . . A 71 ARG N . 34868 1 905 . 1 . 1 76 76 PHE H H 1 7.754 0.010 . 1 . . . . A 72 PHE H . 34868 1 906 . 1 . 1 76 76 PHE HA H 1 4.138 0.007 . 1 . . . . A 72 PHE HA . 34868 1 907 . 1 . 1 76 76 PHE HB2 H 1 2.324 0.010 . 2 . . . . A 72 PHE HB2 . 34868 1 908 . 1 . 1 76 76 PHE HB3 H 1 3.047 0.003 . 2 . . . . A 72 PHE HB3 . 34868 1 909 . 1 . 1 76 76 PHE HD1 H 1 6.896 0.000 . 1 . . . . A 72 PHE HD1 . 34868 1 910 . 1 . 1 76 76 PHE HD2 H 1 6.896 0.000 . 1 . . . . A 72 PHE HD2 . 34868 1 911 . 1 . 1 76 76 PHE HE1 H 1 7.307 0.000 . 1 . . . . A 72 PHE HE1 . 34868 1 912 . 1 . 1 76 76 PHE HE2 H 1 7.307 0.000 . 1 . . . . A 72 PHE HE2 . 34868 1 913 . 1 . 1 76 76 PHE HZ H 1 7.364 0.000 . 1 . . . . A 72 PHE HZ . 34868 1 914 . 1 . 1 76 76 PHE C C 13 178.421 0.000 . 1 . . . . A 72 PHE C . 34868 1 915 . 1 . 1 76 76 PHE CA C 13 60.869 0.023 . 1 . . . . A 72 PHE CA . 34868 1 916 . 1 . 1 76 76 PHE CB C 13 37.963 0.063 . 1 . . . . A 72 PHE CB . 34868 1 917 . 1 . 1 76 76 PHE CD1 C 13 131.189 0.000 . 1 . . . . A 72 PHE CD1 . 34868 1 918 . 1 . 1 76 76 PHE CD2 C 13 131.189 0.000 . 1 . . . . A 72 PHE CD2 . 34868 1 919 . 1 . 1 76 76 PHE CE1 C 13 131.280 0.000 . 1 . . . . A 72 PHE CE1 . 34868 1 920 . 1 . 1 76 76 PHE CE2 C 13 131.280 0.000 . 1 . . . . A 72 PHE CE2 . 34868 1 921 . 1 . 1 76 76 PHE CZ C 13 131.534 0.000 . 1 . . . . A 72 PHE CZ . 34868 1 922 . 1 . 1 76 76 PHE N N 15 120.628 0.023 . 1 . . . . A 72 PHE N . 34868 1 923 . 1 . 1 77 77 VAL H H 1 8.183 0.010 . 1 . . . . A 73 VAL H . 34868 1 924 . 1 . 1 77 77 VAL HA H 1 2.912 0.006 . 1 . . . . A 73 VAL HA . 34868 1 925 . 1 . 1 77 77 VAL HB H 1 1.832 0.004 . 1 . . . . A 73 VAL HB . 34868 1 926 . 1 . 1 77 77 VAL HG11 H 1 0.771 0.006 . 2 . . . . A 73 VAL HG11 . 34868 1 927 . 1 . 1 77 77 VAL HG12 H 1 0.771 0.006 . 2 . . . . A 73 VAL HG12 . 34868 1 928 . 1 . 1 77 77 VAL HG13 H 1 0.771 0.006 . 2 . . . . A 73 VAL HG13 . 34868 1 929 . 1 . 1 77 77 VAL HG21 H 1 0.062 0.005 . 2 . . . . A 73 VAL HG21 . 34868 1 930 . 1 . 1 77 77 VAL HG22 H 1 0.062 0.005 . 2 . . . . A 73 VAL HG22 . 34868 1 931 . 1 . 1 77 77 VAL HG23 H 1 0.062 0.005 . 2 . . . . A 73 VAL HG23 . 34868 1 932 . 1 . 1 77 77 VAL CA C 13 67.139 0.019 . 1 . . . . A 73 VAL CA . 34868 1 933 . 1 . 1 77 77 VAL CB C 13 30.863 0.036 . 1 . . . . A 73 VAL CB . 34868 1 934 . 1 . 1 77 77 VAL CG1 C 13 21.972 0.021 . 2 . . . . A 73 VAL CG1 . 34868 1 935 . 1 . 1 77 77 VAL CG2 C 13 20.385 0.023 . 2 . . . . A 73 VAL CG2 . 34868 1 936 . 1 . 1 77 77 VAL N N 15 121.830 0.024 . 1 . . . . A 73 VAL N . 34868 1 937 . 1 . 1 78 78 GLU H H 1 7.956 0.000 . 1 . . . . A 74 GLU H . 34868 1 938 . 1 . 1 78 78 GLU HA H 1 3.639 0.004 . 1 . . . . A 74 GLU HA . 34868 1 939 . 1 . 1 78 78 GLU HB2 H 1 2.073 0.004 . 2 . . . . A 74 GLU HB2 . 34868 1 940 . 1 . 1 78 78 GLU HB3 H 1 2.059 0.018 . 2 . . . . A 74 GLU HB3 . 34868 1 941 . 1 . 1 78 78 GLU HG2 H 1 2.178 0.000 . 1 . . . . A 74 GLU HG2 . 34868 1 942 . 1 . 1 78 78 GLU HG3 H 1 2.178 0.000 . 1 . . . . A 74 GLU HG3 . 34868 1 943 . 1 . 1 78 78 GLU CA C 13 59.833 0.045 . 1 . . . . A 74 GLU CA . 34868 1 944 . 1 . 1 78 78 GLU CB C 13 29.969 0.000 . 1 . . . . A 74 GLU CB . 34868 1 945 . 1 . 1 78 78 GLU CG C 13 36.366 0.000 . 1 . . . . A 74 GLU CG . 34868 1 946 . 1 . 1 79 79 GLN H H 1 8.251 0.016 . 1 . . . . A 75 GLN H . 34868 1 947 . 1 . 1 79 79 GLN HA H 1 4.062 0.004 . 1 . . . . A 75 GLN HA . 34868 1 948 . 1 . 1 79 79 GLN HB2 H 1 2.053 0.003 . 2 . . . . A 75 GLN HB2 . 34868 1 949 . 1 . 1 79 79 GLN HB3 H 1 2.051 0.004 . 2 . . . . A 75 GLN HB3 . 34868 1 950 . 1 . 1 79 79 GLN HG2 H 1 2.498 0.010 . 2 . . . . A 75 GLN HG2 . 34868 1 951 . 1 . 1 79 79 GLN HG3 H 1 2.390 0.003 . 2 . . . . A 75 GLN HG3 . 34868 1 952 . 1 . 1 79 79 GLN HE21 H 1 6.816 0.003 . 1 . . . . A 75 GLN HE21 . 34868 1 953 . 1 . 1 79 79 GLN HE22 H 1 7.427 0.001 . 1 . . . . A 75 GLN HE22 . 34868 1 954 . 1 . 1 79 79 GLN C C 13 178.358 0.000 . 1 . . . . A 75 GLN C . 34868 1 955 . 1 . 1 79 79 GLN CA C 13 58.099 0.063 . 1 . . . . A 75 GLN CA . 34868 1 956 . 1 . 1 79 79 GLN CB C 13 28.410 0.038 . 1 . . . . A 75 GLN CB . 34868 1 957 . 1 . 1 79 79 GLN CG C 13 34.155 0.039 . 1 . . . . A 75 GLN CG . 34868 1 958 . 1 . 1 79 79 GLN N N 15 116.670 0.037 . 1 . . . . A 75 GLN N . 34868 1 959 . 1 . 1 79 79 GLN NE2 N 15 111.206 0.023 . 1 . . . . A 75 GLN NE2 . 34868 1 960 . 1 . 1 80 80 SER H H 1 7.754 0.015 . 1 . . . . A 76 SER H . 34868 1 961 . 1 . 1 80 80 SER HA H 1 4.099 0.006 . 1 . . . . A 76 SER HA . 34868 1 962 . 1 . 1 80 80 SER HB2 H 1 3.568 0.026 . 2 . . . . A 76 SER HB2 . 34868 1 963 . 1 . 1 80 80 SER HB3 H 1 3.604 0.016 . 2 . . . . A 76 SER HB3 . 34868 1 964 . 1 . 1 80 80 SER C C 13 175.123 0.000 . 1 . . . . A 76 SER C . 34868 1 965 . 1 . 1 80 80 SER CA C 13 60.796 0.065 . 1 . . . . A 76 SER CA . 34868 1 966 . 1 . 1 80 80 SER CB C 13 63.089 0.028 . 1 . . . . A 76 SER CB . 34868 1 967 . 1 . 1 80 80 SER N N 15 115.180 0.021 . 1 . . . . A 76 SER N . 34868 1 968 . 1 . 1 81 81 ARG H H 1 7.722 0.012 . 1 . . . . A 77 ARG H . 34868 1 969 . 1 . 1 81 81 ARG HA H 1 4.104 0.019 . 1 . . . . A 77 ARG HA . 34868 1 970 . 1 . 1 81 81 ARG HB2 H 1 1.793 0.027 . 2 . . . . A 77 ARG HB2 . 34868 1 971 . 1 . 1 81 81 ARG HB3 H 1 1.824 0.015 . 2 . . . . A 77 ARG HB3 . 34868 1 972 . 1 . 1 81 81 ARG HG2 H 1 1.757 0.000 . 2 . . . . A 77 ARG HG2 . 34868 1 973 . 1 . 1 81 81 ARG HG3 H 1 1.639 0.013 . 2 . . . . A 77 ARG HG3 . 34868 1 974 . 1 . 1 81 81 ARG HD2 H 1 3.156 0.000 . 2 . . . . A 77 ARG HD2 . 34868 1 975 . 1 . 1 81 81 ARG HD3 H 1 3.076 0.013 . 2 . . . . A 77 ARG HD3 . 34868 1 976 . 1 . 1 81 81 ARG C C 13 176.557 0.000 . 1 . . . . A 77 ARG C . 34868 1 977 . 1 . 1 81 81 ARG CA C 13 57.561 0.061 . 1 . . . . A 77 ARG CA . 34868 1 978 . 1 . 1 81 81 ARG CB C 13 30.804 0.082 . 1 . . . . A 77 ARG CB . 34868 1 979 . 1 . 1 81 81 ARG CG C 13 26.787 0.063 . 1 . . . . A 77 ARG CG . 34868 1 980 . 1 . 1 81 81 ARG CD C 13 44.191 0.021 . 1 . . . . A 77 ARG CD . 34868 1 981 . 1 . 1 81 81 ARG N N 15 120.527 0.034 . 1 . . . . A 77 ARG N . 34868 1 982 . 1 . 1 82 82 ASP H H 1 7.939 0.014 . 1 . . . . A 78 ASP H . 34868 1 983 . 1 . 1 82 82 ASP HA H 1 4.652 0.009 . 1 . . . . A 78 ASP HA . 34868 1 984 . 1 . 1 82 82 ASP HB2 H 1 2.691 0.006 . 2 . . . . A 78 ASP HB2 . 34868 1 985 . 1 . 1 82 82 ASP HB3 H 1 2.791 0.009 . 2 . . . . A 78 ASP HB3 . 34868 1 986 . 1 . 1 82 82 ASP C C 13 177.184 0.000 . 1 . . . . A 78 ASP C . 34868 1 987 . 1 . 1 82 82 ASP CA C 13 55.211 0.039 . 1 . . . . A 78 ASP CA . 34868 1 988 . 1 . 1 82 82 ASP CB C 13 41.104 0.013 . 1 . . . . A 78 ASP CB . 34868 1 989 . 1 . 1 82 82 ASP N N 15 119.932 0.037 . 1 . . . . A 78 ASP N . 34868 1 990 . 1 . 1 83 83 THR H H 1 8.024 0.014 . 1 . . . . A 79 THR H . 34868 1 991 . 1 . 1 83 83 THR HA H 1 4.288 0.016 . 1 . . . . A 79 THR HA . 34868 1 992 . 1 . 1 83 83 THR HB H 1 4.330 0.011 . 1 . . . . A 79 THR HB . 34868 1 993 . 1 . 1 83 83 THR HG21 H 1 1.265 0.004 . 1 . . . . A 79 THR HG21 . 34868 1 994 . 1 . 1 83 83 THR HG22 H 1 1.265 0.004 . 1 . . . . A 79 THR HG22 . 34868 1 995 . 1 . 1 83 83 THR HG23 H 1 1.265 0.004 . 1 . . . . A 79 THR HG23 . 34868 1 996 . 1 . 1 83 83 THR C C 13 175.750 0.000 . 1 . . . . A 79 THR C . 34868 1 997 . 1 . 1 83 83 THR CA C 13 62.968 0.041 . 1 . . . . A 79 THR CA . 34868 1 998 . 1 . 1 83 83 THR CB C 13 69.615 0.018 . 1 . . . . A 79 THR CB . 34868 1 999 . 1 . 1 83 83 THR CG2 C 13 21.669 0.026 . 1 . . . . A 79 THR CG2 . 34868 1 1000 . 1 . 1 83 83 THR N N 15 113.688 0.031 . 1 . . . . A 79 THR N . 34868 1 1001 . 1 . 1 84 84 GLY H H 1 8.308 0.013 . 1 . . . . A 80 GLY H . 34868 1 1002 . 1 . 1 84 84 GLY HA2 H 1 4.005 0.022 . 2 . . . . A 80 GLY HA2 . 34868 1 1003 . 1 . 1 84 84 GLY HA3 H 1 4.001 0.020 . 2 . . . . A 80 GLY HA3 . 34868 1 1004 . 1 . 1 84 84 GLY C C 13 174.207 0.000 . 1 . . . . A 80 GLY C . 34868 1 1005 . 1 . 1 84 84 GLY CA C 13 45.709 0.029 . 1 . . . . A 80 GLY CA . 34868 1 1006 . 1 . 1 84 84 GLY N N 15 110.520 0.021 . 1 . . . . A 80 GLY N . 34868 1 1007 . 1 . 1 85 85 ARG H H 1 7.914 0.015 . 1 . . . . A 81 ARG H . 34868 1 1008 . 1 . 1 85 85 ARG HA H 1 4.343 0.008 . 1 . . . . A 81 ARG HA . 34868 1 1009 . 1 . 1 85 85 ARG HB2 H 1 1.825 0.013 . 2 . . . . A 81 ARG HB2 . 34868 1 1010 . 1 . 1 85 85 ARG HB3 H 1 1.829 0.014 . 2 . . . . A 81 ARG HB3 . 34868 1 1011 . 1 . 1 85 85 ARG HG2 H 1 1.625 0.010 . 1 . . . . A 81 ARG HG2 . 34868 1 1012 . 1 . 1 85 85 ARG HG3 H 1 1.626 0.009 . 1 . . . . A 81 ARG HG3 . 34868 1 1013 . 1 . 1 85 85 ARG HD2 H 1 3.219 0.003 . 1 . . . . A 81 ARG HD2 . 34868 1 1014 . 1 . 1 85 85 ARG HD3 H 1 3.219 0.003 . 1 . . . . A 81 ARG HD3 . 34868 1 1015 . 1 . 1 85 85 ARG C C 13 175.750 0.000 . 1 . . . . A 81 ARG C . 34868 1 1016 . 1 . 1 85 85 ARG CA C 13 56.025 0.019 . 1 . . . . A 81 ARG CA . 34868 1 1017 . 1 . 1 85 85 ARG CB C 13 30.911 0.052 . 1 . . . . A 81 ARG CB . 34868 1 1018 . 1 . 1 85 85 ARG CG C 13 27.124 0.036 . 1 . . . . A 81 ARG CG . 34868 1 1019 . 1 . 1 85 85 ARG CD C 13 43.385 0.046 . 1 . . . . A 81 ARG CD . 34868 1 1020 . 1 . 1 85 85 ARG N N 15 119.759 0.121 . 1 . . . . A 81 ARG N . 34868 1 1021 . 1 . 1 86 86 ASN H H 1 8.392 0.015 . 1 . . . . A 82 ASN H . 34868 1 1022 . 1 . 1 86 86 ASN HA H 1 4.990 0.004 . 1 . . . . A 82 ASN HA . 34868 1 1023 . 1 . 1 86 86 ASN HB2 H 1 2.858 0.006 . 2 . . . . A 82 ASN HB2 . 34868 1 1024 . 1 . 1 86 86 ASN HB3 H 1 2.749 0.000 . 2 . . . . A 82 ASN HB3 . 34868 1 1025 . 1 . 1 86 86 ASN HD21 H 1 7.655 0.000 . 1 . . . . A 82 ASN HD21 . 34868 1 1026 . 1 . 1 86 86 ASN HD22 H 1 6.985 0.000 . 1 . . . . A 82 ASN HD22 . 34868 1 1027 . 1 . 1 86 86 ASN CA C 13 51.263 0.028 . 1 . . . . A 82 ASN CA . 34868 1 1028 . 1 . 1 86 86 ASN CB C 13 38.912 0.051 . 1 . . . . A 82 ASN CB . 34868 1 1029 . 1 . 1 86 86 ASN N N 15 120.466 0.028 . 1 . . . . A 82 ASN N . 34868 1 1030 . 1 . 1 86 86 ASN ND2 N 15 112.255 0.029 . 1 . . . . A 82 ASN ND2 . 34868 1 1031 . 1 . 1 87 87 PRO HA H 1 4.415 0.005 . 1 . . . . A 83 PRO HA . 34868 1 1032 . 1 . 1 87 87 PRO HB2 H 1 1.971 0.006 . 2 . . . . A 83 PRO HB2 . 34868 1 1033 . 1 . 1 87 87 PRO HB3 H 1 2.311 0.006 . 2 . . . . A 83 PRO HB3 . 34868 1 1034 . 1 . 1 87 87 PRO HG2 H 1 2.017 0.006 . 2 . . . . A 83 PRO HG2 . 34868 1 1035 . 1 . 1 87 87 PRO HG3 H 1 2.010 0.015 . 2 . . . . A 83 PRO HG3 . 34868 1 1036 . 1 . 1 87 87 PRO HD2 H 1 3.806 0.014 . 2 . . . . A 83 PRO HD2 . 34868 1 1037 . 1 . 1 87 87 PRO HD3 H 1 3.772 0.016 . 2 . . . . A 83 PRO HD3 . 34868 1 1038 . 1 . 1 87 87 PRO C C 13 176.830 0.000 . 1 . . . . A 83 PRO C . 34868 1 1039 . 1 . 1 87 87 PRO CA C 13 63.660 0.044 . 1 . . . . A 83 PRO CA . 34868 1 1040 . 1 . 1 87 87 PRO CB C 13 32.087 0.029 . 1 . . . . A 83 PRO CB . 34868 1 1041 . 1 . 1 87 87 PRO CG C 13 27.251 0.019 . 1 . . . . A 83 PRO CG . 34868 1 1042 . 1 . 1 87 87 PRO CD C 13 50.778 0.015 . 1 . . . . A 83 PRO CD . 34868 1 1043 . 1 . 1 88 88 ALA H H 1 8.190 0.013 . 1 . . . . A 84 ALA H . 34868 1 1044 . 1 . 1 88 88 ALA HA H 1 4.319 0.013 . 1 . . . . A 84 ALA HA . 34868 1 1045 . 1 . 1 88 88 ALA HB1 H 1 1.402 0.005 . 1 . . . . A 84 ALA HB1 . 34868 1 1046 . 1 . 1 88 88 ALA HB2 H 1 1.402 0.005 . 1 . . . . A 84 ALA HB2 . 34868 1 1047 . 1 . 1 88 88 ALA HB3 H 1 1.402 0.005 . 1 . . . . A 84 ALA HB3 . 34868 1 1048 . 1 . 1 88 88 ALA C C 13 177.588 0.000 . 1 . . . . A 84 ALA C . 34868 1 1049 . 1 . 1 88 88 ALA CA C 13 52.462 0.044 . 1 . . . . A 84 ALA CA . 34868 1 1050 . 1 . 1 88 88 ALA CB C 13 19.008 0.034 . 1 . . . . A 84 ALA CB . 34868 1 1051 . 1 . 1 88 88 ALA N N 15 122.835 0.013 . 1 . . . . A 84 ALA N . 34868 1 1052 . 1 . 1 89 89 ALA H H 1 8.027 0.015 . 1 . . . . A 85 ALA H . 34868 1 1053 . 1 . 1 89 89 ALA HA H 1 4.334 0.021 . 1 . . . . A 85 ALA HA . 34868 1 1054 . 1 . 1 89 89 ALA HB1 H 1 1.418 0.006 . 1 . . . . A 85 ALA HB1 . 34868 1 1055 . 1 . 1 89 89 ALA HB2 H 1 1.418 0.006 . 1 . . . . A 85 ALA HB2 . 34868 1 1056 . 1 . 1 89 89 ALA HB3 H 1 1.418 0.006 . 1 . . . . A 85 ALA HB3 . 34868 1 1057 . 1 . 1 89 89 ALA C C 13 177.626 0.000 . 1 . . . . A 85 ALA C . 34868 1 1058 . 1 . 1 89 89 ALA CA C 13 52.486 0.035 . 1 . . . . A 85 ALA CA . 34868 1 1059 . 1 . 1 89 89 ALA CB C 13 19.252 0.046 . 1 . . . . A 85 ALA CB . 34868 1 1060 . 1 . 1 89 89 ALA N N 15 122.592 0.024 . 1 . . . . A 85 ALA N . 34868 1 1061 . 1 . 1 90 90 GLN H H 1 8.241 0.016 . 1 . . . . A 86 GLN H . 34868 1 1062 . 1 . 1 90 90 GLN HA H 1 4.430 0.007 . 1 . . . . A 86 GLN HA . 34868 1 1063 . 1 . 1 90 90 GLN HB2 H 1 2.024 0.003 . 2 . . . . A 86 GLN HB2 . 34868 1 1064 . 1 . 1 90 90 GLN HB3 H 1 2.166 0.006 . 2 . . . . A 86 GLN HB3 . 34868 1 1065 . 1 . 1 90 90 GLN HG2 H 1 2.400 0.001 . 1 . . . . A 86 GLN HG2 . 34868 1 1066 . 1 . 1 90 90 GLN HG3 H 1 2.400 0.001 . 1 . . . . A 86 GLN HG3 . 34868 1 1067 . 1 . 1 90 90 GLN HE21 H 1 6.850 0.002 . 1 . . . . A 86 GLN HE21 . 34868 1 1068 . 1 . 1 90 90 GLN HE22 H 1 7.538 0.001 . 1 . . . . A 86 GLN HE22 . 34868 1 1069 . 1 . 1 90 90 GLN C C 13 176.123 0.000 . 1 . . . . A 86 GLN C . 34868 1 1070 . 1 . 1 90 90 GLN CA C 13 55.801 0.054 . 1 . . . . A 86 GLN CA . 34868 1 1071 . 1 . 1 90 90 GLN CB C 13 29.578 0.035 . 1 . . . . A 86 GLN CB . 34868 1 1072 . 1 . 1 90 90 GLN CG C 13 33.876 0.050 . 1 . . . . A 86 GLN CG . 34868 1 1073 . 1 . 1 90 90 GLN N N 15 119.340 0.036 . 1 . . . . A 86 GLN N . 34868 1 1074 . 1 . 1 90 90 GLN NE2 N 15 112.254 0.017 . 1 . . . . A 86 GLN NE2 . 34868 1 1075 . 1 . 1 91 91 THR H H 1 8.146 0.014 . 1 . . . . A 87 THR H . 34868 1 1076 . 1 . 1 91 91 THR HA H 1 4.364 0.005 . 1 . . . . A 87 THR HA . 34868 1 1077 . 1 . 1 91 91 THR HB H 1 4.258 0.009 . 1 . . . . A 87 THR HB . 34868 1 1078 . 1 . 1 91 91 THR HG21 H 1 1.213 0.004 . 1 . . . . A 87 THR HG21 . 34868 1 1079 . 1 . 1 91 91 THR HG22 H 1 1.213 0.004 . 1 . . . . A 87 THR HG22 . 34868 1 1080 . 1 . 1 91 91 THR HG23 H 1 1.213 0.004 . 1 . . . . A 87 THR HG23 . 34868 1 1081 . 1 . 1 91 91 THR C C 13 173.692 0.000 . 1 . . . . A 87 THR C . 34868 1 1082 . 1 . 1 91 91 THR CA C 13 61.859 0.018 . 1 . . . . A 87 THR CA . 34868 1 1083 . 1 . 1 91 91 THR CB C 13 69.925 0.015 . 1 . . . . A 87 THR CB . 34868 1 1084 . 1 . 1 91 91 THR CG2 C 13 21.515 0.015 . 1 . . . . A 87 THR CG2 . 34868 1 1085 . 1 . 1 91 91 THR N N 15 115.421 0.014 . 1 . . . . A 87 THR N . 34868 1 1086 . 1 . 1 92 92 GLN H H 1 7.998 0.015 . 1 . . . . A 88 GLN H . 34868 1 1087 . 1 . 1 92 92 GLN HA H 1 4.200 0.005 . 1 . . . . A 88 GLN HA . 34868 1 1088 . 1 . 1 92 92 GLN HB2 H 1 2.130 0.003 . 2 . . . . A 88 GLN HB2 . 34868 1 1089 . 1 . 1 92 92 GLN HB3 H 1 1.949 0.003 . 2 . . . . A 88 GLN HB3 . 34868 1 1090 . 1 . 1 92 92 GLN HG2 H 1 2.314 0.003 . 1 . . . . A 88 GLN HG2 . 34868 1 1091 . 1 . 1 92 92 GLN HG3 H 1 2.314 0.003 . 1 . . . . A 88 GLN HG3 . 34868 1 1092 . 1 . 1 92 92 GLN HE21 H 1 6.797 0.001 . 1 . . . . A 88 GLN HE21 . 34868 1 1093 . 1 . 1 92 92 GLN HE22 H 1 7.498 0.000 . 1 . . . . A 88 GLN HE22 . 34868 1 1094 . 1 . 1 92 92 GLN CA C 13 57.476 0.016 . 1 . . . . A 88 GLN CA . 34868 1 1095 . 1 . 1 92 92 GLN CB C 13 30.384 0.078 . 1 . . . . A 88 GLN CB . 34868 1 1096 . 1 . 1 92 92 GLN CG C 13 34.257 0.068 . 1 . . . . A 88 GLN CG . 34868 1 1097 . 1 . 1 92 92 GLN N N 15 127.314 0.024 . 1 . . . . A 88 GLN N . 34868 1 1098 . 1 . 1 92 92 GLN NE2 N 15 111.967 0.054 . 1 . . . . A 88 GLN NE2 . 34868 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34868 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34868 2 2 '3D HNCO' . . . 34868 2 3 '3D HNCA' . . . 34868 2 4 '3D CBCA(CO)NH' . . . 34868 2 5 '3D HNCACB' . . . 34868 2 6 '3D H(CCO)NH' . . . 34868 2 7 '3D C(CO)NH' . . . 34868 2 8 '3D HCCH-TOCSY' . . . 34868 2 9 '3D HBHA(CO)NH' . . . 34868 2 10 '3D 1H-15N NOESY' . . . 34868 2 11 '2D 1H-13C HSQC' . . . 34868 2 12 '2D hbcbcgcdhdgp' . . . 34868 2 13 '2D hbcbcgcdcehegp' . . . 34868 2 14 '2D 1H-13C HSQC' . . . 34868 2 15 '3D 1H-13C NOESY' . . . 34868 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 MET HA H 1 4.469 0.004 . 1 . . . . A -1 MET HA . 34868 2 2 . 1 . 1 3 3 MET HB2 H 1 2.092 0.023 . 2 . . . . A -1 MET HB2 . 34868 2 3 . 1 . 1 3 3 MET HB3 H 1 2.105 0.006 . 2 . . . . A -1 MET HB3 . 34868 2 4 . 1 . 1 3 3 MET HG2 H 1 2.583 0.012 . 1 . . . . A -1 MET HG2 . 34868 2 5 . 1 . 1 3 3 MET HG3 H 1 2.583 0.012 . 1 . . . . A -1 MET HG3 . 34868 2 6 . 1 . 1 3 3 MET CA C 13 55.457 0.007 . 1 . . . . A -1 MET CA . 34868 2 7 . 1 . 1 3 3 MET CB C 13 32.942 0.000 . 1 . . . . A -1 MET CB . 34868 2 8 . 1 . 1 3 3 MET CG C 13 32.032 0.009 . 1 . . . . A -1 MET CG . 34868 2 9 . 1 . 1 4 4 ALA HA H 1 4.383 0.000 . 1 . . . . A 0 ALA HA . 34868 2 10 . 1 . 1 4 4 ALA HB1 H 1 1.411 0.000 . 1 . . . . A 0 ALA HB1 . 34868 2 11 . 1 . 1 4 4 ALA HB2 H 1 1.411 0.000 . 1 . . . . A 0 ALA HB2 . 34868 2 12 . 1 . 1 4 4 ALA HB3 H 1 1.411 0.000 . 1 . . . . A 0 ALA HB3 . 34868 2 13 . 1 . 1 4 4 ALA CA C 13 52.612 0.000 . 1 . . . . A 0 ALA CA . 34868 2 14 . 1 . 1 4 4 ALA CB C 13 18.987 0.000 . 1 . . . . A 0 ALA CB . 34868 2 15 . 1 . 1 5 5 THR HA H 1 4.305 0.012 . 1 . . . . A 1 THR HA . 34868 2 16 . 1 . 1 5 5 THR HB H 1 4.219 0.007 . 1 . . . . A 1 THR HB . 34868 2 17 . 1 . 1 5 5 THR HG21 H 1 1.221 0.002 . 1 . . . . A 1 THR HG21 . 34868 2 18 . 1 . 1 5 5 THR HG22 H 1 1.221 0.002 . 1 . . . . A 1 THR HG22 . 34868 2 19 . 1 . 1 5 5 THR HG23 H 1 1.221 0.002 . 1 . . . . A 1 THR HG23 . 34868 2 20 . 1 . 1 5 5 THR CA C 13 61.668 0.016 . 1 . . . . A 1 THR CA . 34868 2 21 . 1 . 1 5 5 THR CB C 13 69.794 0.028 . 1 . . . . A 1 THR CB . 34868 2 22 . 1 . 1 5 5 THR CG2 C 13 21.645 0.000 . 1 . . . . A 1 THR CG2 . 34868 2 23 . 1 . 1 6 6 ALA HB1 H 1 1.397 0.001 . 1 . . . . A 2 ALA HB1 . 34868 2 24 . 1 . 1 6 6 ALA HB2 H 1 1.397 0.001 . 1 . . . . A 2 ALA HB2 . 34868 2 25 . 1 . 1 6 6 ALA HB3 H 1 1.397 0.001 . 1 . . . . A 2 ALA HB3 . 34868 2 26 . 1 . 1 6 6 ALA CB C 13 19.309 0.000 . 1 . . . . A 2 ALA CB . 34868 2 27 . 1 . 1 7 7 VAL HA H 1 4.113 0.004 . 1 . . . . A 3 VAL HA . 34868 2 28 . 1 . 1 7 7 VAL HB H 1 2.080 0.006 . 1 . . . . A 3 VAL HB . 34868 2 29 . 1 . 1 7 7 VAL HG11 H 1 0.944 0.003 . 1 . . . . A 3 VAL HG11 . 34868 2 30 . 1 . 1 7 7 VAL HG12 H 1 0.944 0.003 . 1 . . . . A 3 VAL HG12 . 34868 2 31 . 1 . 1 7 7 VAL HG13 H 1 0.944 0.003 . 1 . . . . A 3 VAL HG13 . 34868 2 32 . 1 . 1 7 7 VAL HG21 H 1 0.944 0.002 . 1 . . . . A 3 VAL HG21 . 34868 2 33 . 1 . 1 7 7 VAL HG22 H 1 0.944 0.002 . 1 . . . . A 3 VAL HG22 . 34868 2 34 . 1 . 1 7 7 VAL HG23 H 1 0.944 0.002 . 1 . . . . A 3 VAL HG23 . 34868 2 35 . 1 . 1 7 7 VAL CA C 13 62.035 0.015 . 1 . . . . A 3 VAL CA . 34868 2 36 . 1 . 1 7 7 VAL CB C 13 32.765 0.000 . 1 . . . . A 3 VAL CB . 34868 2 37 . 1 . 1 7 7 VAL CG1 C 13 20.576 0.000 . 2 . . . . A 3 VAL CG1 . 34868 2 38 . 1 . 1 7 7 VAL CG2 C 13 20.677 0.087 . 2 . . . . A 3 VAL CG2 . 34868 2 39 . 1 . 1 8 8 GLN HA H 1 4.315 0.006 . 1 . . . . A 4 GLN HA . 34868 2 40 . 1 . 1 8 8 GLN HB2 H 1 1.978 0.013 . 2 . . . . A 4 GLN HB2 . 34868 2 41 . 1 . 1 8 8 GLN HB3 H 1 2.004 0.022 . 2 . . . . A 4 GLN HB3 . 34868 2 42 . 1 . 1 8 8 GLN HG2 H 1 2.339 0.005 . 2 . . . . A 4 GLN HG2 . 34868 2 43 . 1 . 1 8 8 GLN HG3 H 1 2.339 0.005 . 2 . . . . A 4 GLN HG3 . 34868 2 44 . 1 . 1 8 8 GLN CA C 13 55.788 0.003 . 1 . . . . A 4 GLN CA . 34868 2 45 . 1 . 1 8 8 GLN CB C 13 29.750 0.052 . 1 . . . . A 4 GLN CB . 34868 2 46 . 1 . 1 8 8 GLN CG C 13 33.892 0.000 . 1 . . . . A 4 GLN CG . 34868 2 47 . 1 . 1 9 9 ASN HA H 1 4.993 0.018 . 1 . . . . A 5 ASN HA . 34868 2 48 . 1 . 1 9 9 ASN HB2 H 1 2.873 0.006 . 2 . . . . A 5 ASN HB2 . 34868 2 49 . 1 . 1 9 9 ASN HB3 H 1 2.775 0.000 . 2 . . . . A 5 ASN HB3 . 34868 2 50 . 1 . 1 9 9 ASN CA C 13 50.995 0.011 . 1 . . . . A 5 ASN CA . 34868 2 51 . 1 . 1 9 9 ASN CB C 13 38.861 0.016 . 1 . . . . A 5 ASN CB . 34868 2 52 . 1 . 1 10 10 PRO HA H 1 4.478 0.007 . 1 . . . . A 6 PRO HA . 34868 2 53 . 1 . 1 10 10 PRO HB2 H 1 1.986 0.007 . 2 . . . . A 6 PRO HB2 . 34868 2 54 . 1 . 1 10 10 PRO HB3 H 1 2.325 0.001 . 2 . . . . A 6 PRO HB3 . 34868 2 55 . 1 . 1 10 10 PRO HG2 H 1 2.037 0.003 . 1 . . . . A 6 PRO HG2 . 34868 2 56 . 1 . 1 10 10 PRO HG3 H 1 2.037 0.003 . 1 . . . . A 6 PRO HG3 . 34868 2 57 . 1 . 1 10 10 PRO HD2 H 1 3.587 0.010 . 2 . . . . A 6 PRO HD2 . 34868 2 58 . 1 . 1 10 10 PRO HD3 H 1 3.585 0.007 . 2 . . . . A 6 PRO HD3 . 34868 2 59 . 1 . 1 10 10 PRO CA C 13 63.134 0.000 . 1 . . . . A 6 PRO CA . 34868 2 60 . 1 . 1 10 10 PRO CB C 13 32.227 0.084 . 1 . . . . A 6 PRO CB . 34868 2 61 . 1 . 1 10 10 PRO CG C 13 27.019 0.000 . 1 . . . . A 6 PRO CG . 34868 2 62 . 1 . 1 10 10 PRO CD C 13 49.707 0.015 . 1 . . . . A 6 PRO CD . 34868 2 63 . 1 . 1 11 11 LEU HA H 1 4.234 0.015 . 1 . . . . A 7 LEU HA . 34868 2 64 . 1 . 1 11 11 LEU HB2 H 1 1.829 0.006 . 2 . . . . A 7 LEU HB2 . 34868 2 65 . 1 . 1 11 11 LEU HB3 H 1 1.452 0.010 . 2 . . . . A 7 LEU HB3 . 34868 2 66 . 1 . 1 11 11 LEU HG H 1 1.700 0.008 . 1 . . . . A 7 LEU HG . 34868 2 67 . 1 . 1 11 11 LEU HD11 H 1 0.802 0.012 . 2 . . . . A 7 LEU HD11 . 34868 2 68 . 1 . 1 11 11 LEU HD12 H 1 0.802 0.012 . 2 . . . . A 7 LEU HD12 . 34868 2 69 . 1 . 1 11 11 LEU HD13 H 1 0.802 0.012 . 2 . . . . A 7 LEU HD13 . 34868 2 70 . 1 . 1 11 11 LEU HD21 H 1 0.725 0.010 . 2 . . . . A 7 LEU HD21 . 34868 2 71 . 1 . 1 11 11 LEU HD22 H 1 0.725 0.010 . 2 . . . . A 7 LEU HD22 . 34868 2 72 . 1 . 1 11 11 LEU HD23 H 1 0.725 0.010 . 2 . . . . A 7 LEU HD23 . 34868 2 73 . 1 . 1 11 11 LEU CA C 13 58.941 0.022 . 1 . . . . A 7 LEU CA . 34868 2 74 . 1 . 1 11 11 LEU CB C 13 41.576 0.045 . 1 . . . . A 7 LEU CB . 34868 2 75 . 1 . 1 11 11 LEU CG C 13 28.927 0.093 . 1 . . . . A 7 LEU CG . 34868 2 76 . 1 . 1 11 11 LEU CD1 C 13 25.265 0.075 . 2 . . . . A 7 LEU CD1 . 34868 2 77 . 1 . 1 11 11 LEU CD2 C 13 24.893 0.092 . 2 . . . . A 7 LEU CD2 . 34868 2 78 . 1 . 1 12 12 GLU HA H 1 3.631 0.008 . 1 . . . . A 8 GLU HA . 34868 2 79 . 1 . 1 12 12 GLU HB2 H 1 1.952 0.012 . 2 . . . . A 8 GLU HB2 . 34868 2 80 . 1 . 1 12 12 GLU HB3 H 1 2.261 0.011 . 2 . . . . A 8 GLU HB3 . 34868 2 81 . 1 . 1 12 12 GLU HG2 H 1 2.052 0.009 . 2 . . . . A 8 GLU HG2 . 34868 2 82 . 1 . 1 12 12 GLU HG3 H 1 2.300 0.006 . 2 . . . . A 8 GLU HG3 . 34868 2 83 . 1 . 1 12 12 GLU CA C 13 60.021 0.110 . 1 . . . . A 8 GLU CA . 34868 2 84 . 1 . 1 12 12 GLU CB C 13 29.933 0.049 . 1 . . . . A 8 GLU CB . 34868 2 85 . 1 . 1 12 12 GLU CG C 13 37.719 0.070 . 1 . . . . A 8 GLU CG . 34868 2 86 . 1 . 1 13 13 THR HA H 1 3.891 0.010 . 1 . . . . A 9 THR HA . 34868 2 87 . 1 . 1 13 13 THR HB H 1 4.287 0.012 . 1 . . . . A 9 THR HB . 34868 2 88 . 1 . 1 13 13 THR HG21 H 1 1.283 0.008 . 1 . . . . A 9 THR HG21 . 34868 2 89 . 1 . 1 13 13 THR HG22 H 1 1.283 0.008 . 1 . . . . A 9 THR HG22 . 34868 2 90 . 1 . 1 13 13 THR HG23 H 1 1.283 0.008 . 1 . . . . A 9 THR HG23 . 34868 2 91 . 1 . 1 13 13 THR CA C 13 66.813 0.043 . 1 . . . . A 9 THR CA . 34868 2 92 . 1 . 1 13 13 THR CB C 13 68.556 0.029 . 1 . . . . A 9 THR CB . 34868 2 93 . 1 . 1 14 14 VAL H H 1 7.451 0.000 . 1 . . . . A 10 VAL H . 34868 2 94 . 1 . 1 14 14 VAL HA H 1 3.813 0.005 . 1 . . . . A 10 VAL HA . 34868 2 95 . 1 . 1 14 14 VAL HB H 1 2.400 0.010 . 1 . . . . A 10 VAL HB . 34868 2 96 . 1 . 1 14 14 VAL HG11 H 1 0.961 0.009 . 2 . . . . A 10 VAL HG11 . 34868 2 97 . 1 . 1 14 14 VAL HG12 H 1 0.961 0.009 . 2 . . . . A 10 VAL HG12 . 34868 2 98 . 1 . 1 14 14 VAL HG13 H 1 0.961 0.009 . 2 . . . . A 10 VAL HG13 . 34868 2 99 . 1 . 1 14 14 VAL HG21 H 1 1.206 0.009 . 2 . . . . A 10 VAL HG21 . 34868 2 100 . 1 . 1 14 14 VAL HG22 H 1 1.206 0.009 . 2 . . . . A 10 VAL HG22 . 34868 2 101 . 1 . 1 14 14 VAL HG23 H 1 1.206 0.009 . 2 . . . . A 10 VAL HG23 . 34868 2 102 . 1 . 1 14 14 VAL CA C 13 66.375 0.045 . 1 . . . . A 10 VAL CA . 34868 2 103 . 1 . 1 14 14 VAL CB C 13 32.186 0.031 . 1 . . . . A 10 VAL CB . 34868 2 104 . 1 . 1 14 14 VAL CG1 C 13 22.307 0.166 . 2 . . . . A 10 VAL CG1 . 34868 2 105 . 1 . 1 14 14 VAL CG2 C 13 23.045 0.129 . 2 . . . . A 10 VAL CG2 . 34868 2 106 . 1 . 1 15 15 VAL HA H 1 3.650 0.016 . 1 . . . . A 11 VAL HA . 34868 2 107 . 1 . 1 15 15 VAL HB H 1 2.391 0.007 . 1 . . . . A 11 VAL HB . 34868 2 108 . 1 . 1 15 15 VAL HG11 H 1 1.300 0.014 . 2 . . . . A 11 VAL HG11 . 34868 2 109 . 1 . 1 15 15 VAL HG12 H 1 1.300 0.014 . 2 . . . . A 11 VAL HG12 . 34868 2 110 . 1 . 1 15 15 VAL HG13 H 1 1.300 0.014 . 2 . . . . A 11 VAL HG13 . 34868 2 111 . 1 . 1 15 15 VAL HG21 H 1 1.260 0.013 . 2 . . . . A 11 VAL HG21 . 34868 2 112 . 1 . 1 15 15 VAL HG22 H 1 1.260 0.013 . 2 . . . . A 11 VAL HG22 . 34868 2 113 . 1 . 1 15 15 VAL HG23 H 1 1.260 0.013 . 2 . . . . A 11 VAL HG23 . 34868 2 114 . 1 . 1 15 15 VAL CA C 13 67.378 0.036 . 1 . . . . A 11 VAL CA . 34868 2 115 . 1 . 1 15 15 VAL CB C 13 31.331 0.008 . 1 . . . . A 11 VAL CB . 34868 2 116 . 1 . 1 15 15 VAL CG1 C 13 23.379 0.068 . 2 . . . . A 11 VAL CG1 . 34868 2 117 . 1 . 1 15 15 VAL CG2 C 13 22.705 0.109 . 2 . . . . A 11 VAL CG2 . 34868 2 118 . 1 . 1 16 16 LEU HA H 1 4.226 0.006 . 1 . . . . A 12 LEU HA . 34868 2 119 . 1 . 1 16 16 LEU HB2 H 1 2.209 0.006 . 2 . . . . A 12 LEU HB2 . 34868 2 120 . 1 . 1 16 16 LEU HB3 H 1 1.709 0.002 . 2 . . . . A 12 LEU HB3 . 34868 2 121 . 1 . 1 16 16 LEU HG H 1 1.706 0.006 . 1 . . . . A 12 LEU HG . 34868 2 122 . 1 . 1 16 16 LEU HD11 H 1 1.098 0.007 . 2 . . . . A 12 LEU HD11 . 34868 2 123 . 1 . 1 16 16 LEU HD12 H 1 1.098 0.007 . 2 . . . . A 12 LEU HD12 . 34868 2 124 . 1 . 1 16 16 LEU HD13 H 1 1.098 0.007 . 2 . . . . A 12 LEU HD13 . 34868 2 125 . 1 . 1 16 16 LEU HD21 H 1 1.138 0.007 . 2 . . . . A 12 LEU HD21 . 34868 2 126 . 1 . 1 16 16 LEU HD22 H 1 1.138 0.007 . 2 . . . . A 12 LEU HD22 . 34868 2 127 . 1 . 1 16 16 LEU HD23 H 1 1.138 0.007 . 2 . . . . A 12 LEU HD23 . 34868 2 128 . 1 . 1 16 16 LEU CA C 13 58.766 0.078 . 1 . . . . A 12 LEU CA . 34868 2 129 . 1 . 1 16 16 LEU CB C 13 42.507 0.053 . 1 . . . . A 12 LEU CB . 34868 2 130 . 1 . 1 16 16 LEU CG C 13 27.271 0.026 . 1 . . . . A 12 LEU CG . 34868 2 131 . 1 . 1 16 16 LEU CD1 C 13 25.903 0.032 . 2 . . . . A 12 LEU CD1 . 34868 2 132 . 1 . 1 16 16 LEU CD2 C 13 24.519 0.041 . 2 . . . . A 12 LEU CD2 . 34868 2 133 . 1 . 1 17 17 GLN HA H 1 3.902 0.004 . 1 . . . . A 13 GLN HA . 34868 2 134 . 1 . 1 17 17 GLN HB2 H 1 2.275 0.014 . 2 . . . . A 13 GLN HB2 . 34868 2 135 . 1 . 1 17 17 GLN HB3 H 1 2.163 0.009 . 2 . . . . A 13 GLN HB3 . 34868 2 136 . 1 . 1 17 17 GLN HG2 H 1 2.444 0.003 . 2 . . . . A 13 GLN HG2 . 34868 2 137 . 1 . 1 17 17 GLN HG3 H 1 2.543 0.000 . 2 . . . . A 13 GLN HG3 . 34868 2 138 . 1 . 1 17 17 GLN CA C 13 58.853 0.044 . 1 . . . . A 13 GLN CA . 34868 2 139 . 1 . 1 17 17 GLN CB C 13 27.995 0.104 . 1 . . . . A 13 GLN CB . 34868 2 140 . 1 . 1 17 17 GLN CG C 13 33.863 0.030 . 1 . . . . A 13 GLN CG . 34868 2 141 . 1 . 1 18 18 ALA HA H 1 4.229 0.002 . 1 . . . . A 14 ALA HA . 34868 2 142 . 1 . 1 18 18 ALA HB1 H 1 1.441 0.006 . 1 . . . . A 14 ALA HB1 . 34868 2 143 . 1 . 1 18 18 ALA HB2 H 1 1.441 0.006 . 1 . . . . A 14 ALA HB2 . 34868 2 144 . 1 . 1 18 18 ALA HB3 H 1 1.441 0.006 . 1 . . . . A 14 ALA HB3 . 34868 2 145 . 1 . 1 18 18 ALA CA C 13 55.046 0.015 . 1 . . . . A 14 ALA CA . 34868 2 146 . 1 . 1 18 18 ALA CB C 13 17.300 0.032 . 1 . . . . A 14 ALA CB . 34868 2 147 . 1 . 1 19 19 TRP HA H 1 4.505 0.014 . 1 . . . . A 15 TRP HA . 34868 2 148 . 1 . 1 19 19 TRP HB2 H 1 3.220 0.016 . 2 . . . . A 15 TRP HB2 . 34868 2 149 . 1 . 1 19 19 TRP HB3 H 1 3.232 0.015 . 2 . . . . A 15 TRP HB3 . 34868 2 150 . 1 . 1 19 19 TRP HD1 H 1 5.773 0.006 . 1 . . . . A 15 TRP HD1 . 34868 2 151 . 1 . 1 19 19 TRP HE3 H 1 7.177 0.007 . 1 . . . . A 15 TRP HE3 . 34868 2 152 . 1 . 1 19 19 TRP HZ2 H 1 7.300 0.014 . 1 . . . . A 15 TRP HZ2 . 34868 2 153 . 1 . 1 19 19 TRP HZ3 H 1 6.535 0.006 . 1 . . . . A 15 TRP HZ3 . 34868 2 154 . 1 . 1 19 19 TRP HH2 H 1 6.916 0.007 . 1 . . . . A 15 TRP HH2 . 34868 2 155 . 1 . 1 19 19 TRP CA C 13 59.345 0.120 . 1 . . . . A 15 TRP CA . 34868 2 156 . 1 . 1 19 19 TRP CB C 13 29.534 0.032 . 1 . . . . A 15 TRP CB . 34868 2 157 . 1 . 1 19 19 TRP CD1 C 13 126.153 0.033 . 1 . . . . A 15 TRP CD1 . 34868 2 158 . 1 . 1 19 19 TRP CE3 C 13 121.541 0.068 . 1 . . . . A 15 TRP CE3 . 34868 2 159 . 1 . 1 19 19 TRP CZ2 C 13 114.806 0.068 . 1 . . . . A 15 TRP CZ2 . 34868 2 160 . 1 . 1 19 19 TRP CZ3 C 13 120.392 0.029 . 1 . . . . A 15 TRP CZ3 . 34868 2 161 . 1 . 1 19 19 TRP CH2 C 13 124.809 0.044 . 1 . . . . A 15 TRP CH2 . 34868 2 162 . 1 . 1 20 20 LYS HA H 1 3.427 0.005 . 1 . . . . A 16 LYS HA . 34868 2 163 . 1 . 1 20 20 LYS HB2 H 1 1.860 0.010 . 2 . . . . A 16 LYS HB2 . 34868 2 164 . 1 . 1 20 20 LYS HB3 H 1 1.861 0.009 . 2 . . . . A 16 LYS HB3 . 34868 2 165 . 1 . 1 20 20 LYS HG2 H 1 1.472 0.018 . 2 . . . . A 16 LYS HG2 . 34868 2 166 . 1 . 1 20 20 LYS HG3 H 1 1.832 0.009 . 2 . . . . A 16 LYS HG3 . 34868 2 167 . 1 . 1 20 20 LYS HD2 H 1 1.767 0.006 . 1 . . . . A 16 LYS HD2 . 34868 2 168 . 1 . 1 20 20 LYS HD3 H 1 1.767 0.006 . 1 . . . . A 16 LYS HD3 . 34868 2 169 . 1 . 1 20 20 LYS HE2 H 1 3.009 0.035 . 2 . . . . A 16 LYS HE2 . 34868 2 170 . 1 . 1 20 20 LYS HE3 H 1 3.114 0.022 . 2 . . . . A 16 LYS HE3 . 34868 2 171 . 1 . 1 20 20 LYS CA C 13 61.411 0.016 . 1 . . . . A 16 LYS CA . 34868 2 172 . 1 . 1 20 20 LYS CB C 13 32.267 0.017 . 1 . . . . A 16 LYS CB . 34868 2 173 . 1 . 1 20 20 LYS CG C 13 25.956 0.038 . 1 . . . . A 16 LYS CG . 34868 2 174 . 1 . 1 20 20 LYS CD C 13 29.971 0.025 . 1 . . . . A 16 LYS CD . 34868 2 175 . 1 . 1 20 20 LYS CE C 13 43.227 0.000 . 1 . . . . A 16 LYS CE . 34868 2 176 . 1 . 1 21 21 ASP HA H 1 4.210 0.007 . 1 . . . . A 17 ASP HA . 34868 2 177 . 1 . 1 21 21 ASP HB2 H 1 2.659 0.004 . 2 . . . . A 17 ASP HB2 . 34868 2 178 . 1 . 1 21 21 ASP HB3 H 1 2.840 0.008 . 2 . . . . A 17 ASP HB3 . 34868 2 179 . 1 . 1 21 21 ASP CA C 13 57.136 0.004 . 1 . . . . A 17 ASP CA . 34868 2 180 . 1 . 1 21 21 ASP CB C 13 41.256 0.065 . 1 . . . . A 17 ASP CB . 34868 2 181 . 1 . 1 22 22 ILE HA H 1 3.473 0.005 . 1 . . . . A 18 ILE HA . 34868 2 182 . 1 . 1 22 22 ILE HB H 1 1.380 0.011 . 1 . . . . A 18 ILE HB . 34868 2 183 . 1 . 1 22 22 ILE HG12 H 1 1.732 0.008 . 2 . . . . A 18 ILE HG12 . 34868 2 184 . 1 . 1 22 22 ILE HG13 H 1 0.950 0.007 . 2 . . . . A 18 ILE HG13 . 34868 2 185 . 1 . 1 22 22 ILE HG21 H 1 0.628 0.004 . 1 . . . . A 18 ILE HG21 . 34868 2 186 . 1 . 1 22 22 ILE HG22 H 1 0.628 0.004 . 1 . . . . A 18 ILE HG22 . 34868 2 187 . 1 . 1 22 22 ILE HG23 H 1 0.628 0.004 . 1 . . . . A 18 ILE HG23 . 34868 2 188 . 1 . 1 22 22 ILE HD11 H 1 0.745 0.009 . 1 . . . . A 18 ILE HD11 . 34868 2 189 . 1 . 1 22 22 ILE HD12 H 1 0.745 0.009 . 1 . . . . A 18 ILE HD12 . 34868 2 190 . 1 . 1 22 22 ILE HD13 H 1 0.745 0.009 . 1 . . . . A 18 ILE HD13 . 34868 2 191 . 1 . 1 22 22 ILE CA C 13 63.798 0.010 . 1 . . . . A 18 ILE CA . 34868 2 192 . 1 . 1 22 22 ILE CB C 13 39.680 0.025 . 1 . . . . A 18 ILE CB . 34868 2 193 . 1 . 1 22 22 ILE CG1 C 13 29.354 0.093 . 1 . . . . A 18 ILE CG1 . 34868 2 194 . 1 . 1 22 22 ILE CG2 C 13 17.075 0.030 . 1 . . . . A 18 ILE CG2 . 34868 2 195 . 1 . 1 22 22 ILE CD1 C 13 13.780 0.029 . 1 . . . . A 18 ILE CD1 . 34868 2 196 . 1 . 1 23 23 SER HA H 1 3.036 0.006 . 1 . . . . A 19 SER HA . 34868 2 197 . 1 . 1 23 23 SER HB2 H 1 1.453 0.004 . 2 . . . . A 19 SER HB2 . 34868 2 198 . 1 . 1 23 23 SER HB3 H 1 3.037 0.006 . 2 . . . . A 19 SER HB3 . 34868 2 199 . 1 . 1 23 23 SER CA C 13 59.196 0.031 . 1 . . . . A 19 SER CA . 34868 2 200 . 1 . 1 23 23 SER CB C 13 65.089 0.021 . 1 . . . . A 19 SER CB . 34868 2 201 . 1 . 1 24 24 GLY HA2 H 1 3.742 0.012 . 2 . . . . A 20 GLY HA2 . 34868 2 202 . 1 . 1 24 24 GLY HA3 H 1 4.003 0.001 . 2 . . . . A 20 GLY HA3 . 34868 2 203 . 1 . 1 24 24 GLY CA C 13 45.641 0.016 . 1 . . . . A 20 GLY CA . 34868 2 204 . 1 . 1 25 25 ALA H H 1 7.399 0.000 . 1 . . . . A 21 ALA H . 34868 2 205 . 1 . 1 25 25 ALA HA H 1 4.375 0.005 . 1 . . . . A 21 ALA HA . 34868 2 206 . 1 . 1 25 25 ALA HB1 H 1 1.190 0.006 . 1 . . . . A 21 ALA HB1 . 34868 2 207 . 1 . 1 25 25 ALA HB2 H 1 1.190 0.006 . 1 . . . . A 21 ALA HB2 . 34868 2 208 . 1 . 1 25 25 ALA HB3 H 1 1.190 0.006 . 1 . . . . A 21 ALA HB3 . 34868 2 209 . 1 . 1 25 25 ALA CA C 13 51.798 0.011 . 1 . . . . A 21 ALA CA . 34868 2 210 . 1 . 1 25 25 ALA CB C 13 18.329 0.020 . 1 . . . . A 21 ALA CB . 34868 2 211 . 1 . 1 26 26 ASP HA H 1 4.526 0.010 . 1 . . . . A 22 ASP HA . 34868 2 212 . 1 . 1 26 26 ASP HB2 H 1 2.655 0.002 . 1 . . . . A 22 ASP HB2 . 34868 2 213 . 1 . 1 26 26 ASP HB3 H 1 2.655 0.002 . 1 . . . . A 22 ASP HB3 . 34868 2 214 . 1 . 1 26 26 ASP CA C 13 55.781 0.046 . 1 . . . . A 22 ASP CA . 34868 2 215 . 1 . 1 26 26 ASP CB C 13 42.037 0.024 . 1 . . . . A 22 ASP CB . 34868 2 216 . 1 . 1 27 27 ASP HA H 1 4.717 0.008 . 1 . . . . A 23 ASP HA . 34868 2 217 . 1 . 1 27 27 ASP HB2 H 1 2.719 0.009 . 2 . . . . A 23 ASP HB2 . 34868 2 218 . 1 . 1 27 27 ASP HB3 H 1 2.749 0.020 . 2 . . . . A 23 ASP HB3 . 34868 2 219 . 1 . 1 27 27 ASP CA C 13 53.284 0.033 . 1 . . . . A 23 ASP CA . 34868 2 220 . 1 . 1 27 27 ASP CB C 13 40.150 0.000 . 1 . . . . A 23 ASP CB . 34868 2 221 . 1 . 1 28 28 PHE HA H 1 4.474 0.009 . 1 . . . . A 24 PHE HA . 34868 2 222 . 1 . 1 28 28 PHE HB2 H 1 3.171 0.020 . 2 . . . . A 24 PHE HB2 . 34868 2 223 . 1 . 1 28 28 PHE HB3 H 1 2.907 0.039 . 2 . . . . A 24 PHE HB3 . 34868 2 224 . 1 . 1 28 28 PHE HD1 H 1 7.264 0.009 . 1 . . . . A 24 PHE HD1 . 34868 2 225 . 1 . 1 28 28 PHE HD2 H 1 7.264 0.009 . 1 . . . . A 24 PHE HD2 . 34868 2 226 . 1 . 1 28 28 PHE HE1 H 1 6.692 0.009 . 1 . . . . A 24 PHE HE1 . 34868 2 227 . 1 . 1 28 28 PHE HE2 H 1 6.692 0.009 . 1 . . . . A 24 PHE HE2 . 34868 2 228 . 1 . 1 28 28 PHE CA C 13 59.260 0.064 . 1 . . . . A 24 PHE CA . 34868 2 229 . 1 . 1 28 28 PHE CB C 13 41.944 0.102 . 1 . . . . A 24 PHE CB . 34868 2 230 . 1 . 1 28 28 PHE CD1 C 13 132.605 0.065 . 1 . . . . A 24 PHE CD1 . 34868 2 231 . 1 . 1 28 28 PHE CD2 C 13 132.605 0.065 . 1 . . . . A 24 PHE CD2 . 34868 2 232 . 1 . 1 28 28 PHE CE1 C 13 131.045 0.051 . 1 . . . . A 24 PHE CE1 . 34868 2 233 . 1 . 1 28 28 PHE CE2 C 13 131.045 0.051 . 1 . . . . A 24 PHE CE2 . 34868 2 234 . 1 . 1 29 29 THR HA H 1 4.952 0.007 . 1 . . . . A 25 THR HA . 34868 2 235 . 1 . 1 29 29 THR HB H 1 4.528 0.010 . 1 . . . . A 25 THR HB . 34868 2 236 . 1 . 1 29 29 THR HG21 H 1 1.208 0.005 . 1 . . . . A 25 THR HG21 . 34868 2 237 . 1 . 1 29 29 THR HG22 H 1 1.208 0.005 . 1 . . . . A 25 THR HG22 . 34868 2 238 . 1 . 1 29 29 THR HG23 H 1 1.208 0.005 . 1 . . . . A 25 THR HG23 . 34868 2 239 . 1 . 1 29 29 THR CA C 13 60.296 0.016 . 1 . . . . A 25 THR CA . 34868 2 240 . 1 . 1 29 29 THR CB C 13 71.730 0.041 . 1 . . . . A 25 THR CB . 34868 2 241 . 1 . 1 29 29 THR CG2 C 13 20.843 0.039 . 1 . . . . A 25 THR CG2 . 34868 2 242 . 1 . 1 30 30 THR HA H 1 3.939 0.009 . 1 . . . . A 26 THR HA . 34868 2 243 . 1 . 1 30 30 THR HB H 1 4.372 0.007 . 1 . . . . A 26 THR HB . 34868 2 244 . 1 . 1 30 30 THR HG21 H 1 1.383 0.012 . 1 . . . . A 26 THR HG21 . 34868 2 245 . 1 . 1 30 30 THR HG22 H 1 1.383 0.012 . 1 . . . . A 26 THR HG22 . 34868 2 246 . 1 . 1 30 30 THR HG23 H 1 1.383 0.012 . 1 . . . . A 26 THR HG23 . 34868 2 247 . 1 . 1 30 30 THR CA C 13 64.476 0.043 . 1 . . . . A 26 THR CA . 34868 2 248 . 1 . 1 30 30 THR CB C 13 68.487 0.026 . 1 . . . . A 26 THR CB . 34868 2 249 . 1 . 1 30 30 THR CG2 C 13 23.617 0.030 . 1 . . . . A 26 THR CG2 . 34868 2 250 . 1 . 1 31 31 THR HA H 1 4.466 0.008 . 1 . . . . A 27 THR HA . 34868 2 251 . 1 . 1 31 31 THR HB H 1 4.395 0.006 . 1 . . . . A 27 THR HB . 34868 2 252 . 1 . 1 31 31 THR HG21 H 1 1.046 0.003 . 1 . . . . A 27 THR HG21 . 34868 2 253 . 1 . 1 31 31 THR HG22 H 1 1.046 0.003 . 1 . . . . A 27 THR HG22 . 34868 2 254 . 1 . 1 31 31 THR HG23 H 1 1.046 0.003 . 1 . . . . A 27 THR HG23 . 34868 2 255 . 1 . 1 31 31 THR CA C 13 60.483 0.041 . 1 . . . . A 27 THR CA . 34868 2 256 . 1 . 1 31 31 THR CB C 13 69.244 0.021 . 1 . . . . A 27 THR CB . 34868 2 257 . 1 . 1 31 31 THR CG2 C 13 21.335 0.051 . 1 . . . . A 27 THR CG2 . 34868 2 258 . 1 . 1 32 32 ASP HA H 1 4.383 0.007 . 1 . . . . A 28 ASP HA . 34868 2 259 . 1 . 1 32 32 ASP HB2 H 1 1.306 0.005 . 2 . . . . A 28 ASP HB2 . 34868 2 260 . 1 . 1 32 32 ASP HB3 H 1 1.800 0.007 . 2 . . . . A 28 ASP HB3 . 34868 2 261 . 1 . 1 32 32 ASP CA C 13 54.323 0.041 . 1 . . . . A 28 ASP CA . 34868 2 262 . 1 . 1 32 32 ASP CB C 13 41.919 0.053 . 1 . . . . A 28 ASP CB . 34868 2 263 . 1 . 1 33 33 SER HA H 1 4.681 0.004 . 1 . . . . A 29 SER HA . 34868 2 264 . 1 . 1 33 33 SER HB2 H 1 3.858 0.004 . 2 . . . . A 29 SER HB2 . 34868 2 265 . 1 . 1 33 33 SER HB3 H 1 4.001 0.005 . 2 . . . . A 29 SER HB3 . 34868 2 266 . 1 . 1 33 33 SER CA C 13 56.721 0.043 . 1 . . . . A 29 SER CA . 34868 2 267 . 1 . 1 33 33 SER CB C 13 63.842 0.016 . 1 . . . . A 29 SER CB . 34868 2 268 . 1 . 1 34 34 PHE HA H 1 4.279 0.029 . 1 . . . . A 30 PHE HA . 34868 2 269 . 1 . 1 34 34 PHE HB2 H 1 2.414 0.009 . 2 . . . . A 30 PHE HB2 . 34868 2 270 . 1 . 1 34 34 PHE HB3 H 1 2.673 0.015 . 2 . . . . A 30 PHE HB3 . 34868 2 271 . 1 . 1 34 34 PHE HD1 H 1 5.923 0.007 . 3 . . . . A 30 PHE HD1 . 34868 2 272 . 1 . 1 34 34 PHE HD2 H 1 7.024 0.018 . 3 . . . . A 30 PHE HD2 . 34868 2 273 . 1 . 1 34 34 PHE HE1 H 1 6.538 0.011 . 3 . . . . A 30 PHE HE1 . 34868 2 274 . 1 . 1 34 34 PHE HE2 H 1 6.648 0.016 . 3 . . . . A 30 PHE HE2 . 34868 2 275 . 1 . 1 34 34 PHE HZ H 1 7.202 0.009 . 1 . . . . A 30 PHE HZ . 34868 2 276 . 1 . 1 34 34 PHE CA C 13 60.223 0.024 . 1 . . . . A 30 PHE CA . 34868 2 277 . 1 . 1 34 34 PHE CB C 13 39.082 0.116 . 1 . . . . A 30 PHE CB . 34868 2 278 . 1 . 1 34 34 PHE CD1 C 13 131.234 0.070 . 3 . . . . A 30 PHE CD1 . 34868 2 279 . 1 . 1 34 34 PHE CD2 C 13 131.651 0.078 . 3 . . . . A 30 PHE CD2 . 34868 2 280 . 1 . 1 34 34 PHE CE1 C 13 128.458 0.048 . 3 . . . . A 30 PHE CE1 . 34868 2 281 . 1 . 1 34 34 PHE CE2 C 13 130.237 0.049 . 3 . . . . A 30 PHE CE2 . 34868 2 282 . 1 . 1 34 34 PHE CZ C 13 129.724 0.042 . 1 . . . . A 30 PHE CZ . 34868 2 283 . 1 . 1 35 35 LEU HA H 1 4.348 0.018 . 1 . . . . A 31 LEU HA . 34868 2 284 . 1 . 1 35 35 LEU HB3 H 1 1.720 0.000 . 1 . . . . A 31 LEU HB3 . 34868 2 285 . 1 . 1 35 35 LEU HG H 1 1.695 0.022 . 1 . . . . A 31 LEU HG . 34868 2 286 . 1 . 1 35 35 LEU HD11 H 1 0.792 0.013 . 2 . . . . A 31 LEU HD11 . 34868 2 287 . 1 . 1 35 35 LEU HD12 H 1 0.792 0.013 . 2 . . . . A 31 LEU HD12 . 34868 2 288 . 1 . 1 35 35 LEU HD13 H 1 0.792 0.013 . 2 . . . . A 31 LEU HD13 . 34868 2 289 . 1 . 1 35 35 LEU HD21 H 1 0.917 0.029 . 2 . . . . A 31 LEU HD21 . 34868 2 290 . 1 . 1 35 35 LEU HD22 H 1 0.917 0.029 . 2 . . . . A 31 LEU HD22 . 34868 2 291 . 1 . 1 35 35 LEU HD23 H 1 0.917 0.029 . 2 . . . . A 31 LEU HD23 . 34868 2 292 . 1 . 1 35 35 LEU CA C 13 56.509 0.156 . 1 . . . . A 31 LEU CA . 34868 2 293 . 1 . 1 35 35 LEU CG C 13 27.526 0.041 . 1 . . . . A 31 LEU CG . 34868 2 294 . 1 . 1 35 35 LEU CD1 C 13 24.147 0.102 . 2 . . . . A 31 LEU CD1 . 34868 2 295 . 1 . 1 35 35 LEU CD2 C 13 24.920 0.020 . 2 . . . . A 31 LEU CD2 . 34868 2 296 . 1 . 1 36 36 GLY HA2 H 1 3.967 0.018 . 2 . . . . A 32 GLY HA2 . 34868 2 297 . 1 . 1 36 36 GLY HA3 H 1 4.107 0.000 . 2 . . . . A 32 GLY HA3 . 34868 2 298 . 1 . 1 36 36 GLY CA C 13 45.736 0.085 . 1 . . . . A 32 GLY CA . 34868 2 299 . 1 . 1 37 37 HIS HA H 1 4.848 0.005 . 1 . . . . A 33 HIS HA . 34868 2 300 . 1 . 1 37 37 HIS HB2 H 1 3.681 0.004 . 2 . . . . A 33 HIS HB2 . 34868 2 301 . 1 . 1 37 37 HIS HB3 H 1 3.407 0.009 . 2 . . . . A 33 HIS HB3 . 34868 2 302 . 1 . 1 37 37 HIS HD2 H 1 7.343 0.006 . 1 . . . . A 33 HIS HD2 . 34868 2 303 . 1 . 1 37 37 HIS CA C 13 56.417 0.043 . 1 . . . . A 33 HIS CA . 34868 2 304 . 1 . 1 37 37 HIS CB C 13 30.390 0.051 . 1 . . . . A 33 HIS CB . 34868 2 305 . 1 . 1 37 37 HIS CD2 C 13 120.593 0.056 . 1 . . . . A 33 HIS CD2 . 34868 2 306 . 1 . 1 38 38 GLY HA2 H 1 4.230 0.014 . 2 . . . . A 34 GLY HA2 . 34868 2 307 . 1 . 1 38 38 GLY HA3 H 1 3.967 0.014 . 2 . . . . A 34 GLY HA3 . 34868 2 308 . 1 . 1 38 38 GLY CA C 13 45.704 0.059 . 1 . . . . A 34 GLY CA . 34868 2 309 . 1 . 1 39 39 GLY HA2 H 1 3.966 0.014 . 2 . . . . A 35 GLY HA2 . 34868 2 310 . 1 . 1 39 39 GLY HA3 H 1 4.238 0.016 . 2 . . . . A 35 GLY HA3 . 34868 2 311 . 1 . 1 39 39 GLY CA C 13 45.704 0.059 . 1 . . . . A 35 GLY CA . 34868 2 312 . 1 . 1 40 40 ASN HA H 1 4.657 0.003 . 1 . . . . A 36 ASN HA . 34868 2 313 . 1 . 1 40 40 ASN HB2 H 1 2.728 0.025 . 2 . . . . A 36 ASN HB2 . 34868 2 314 . 1 . 1 40 40 ASN HB3 H 1 2.490 0.003 . 2 . . . . A 36 ASN HB3 . 34868 2 315 . 1 . 1 40 40 ASN CA C 13 52.269 0.131 . 1 . . . . A 36 ASN CA . 34868 2 316 . 1 . 1 40 40 ASN CB C 13 39.367 0.132 . 1 . . . . A 36 ASN CB . 34868 2 317 . 1 . 1 41 41 4HH CA C 13 60.155 0.035 . 1 . . . . A 37 4HH CA . 34868 2 318 . 1 . 1 41 41 4HH CB C 13 65.820 0.045 . 1 . . . . A 37 4HH CB . 34868 2 319 . 1 . 1 41 41 4HH CJ C 13 74.226 0.023 . 1 . . . . A 37 4HH CJ . 34868 2 320 . 1 . 1 41 41 4HH CL1 C 13 23.890 0.034 . 1 . . . . A 37 4HH CL1 . 34868 2 321 . 1 . 1 41 41 4HH CL2 C 13 21.636 0.034 . 1 . . . . A 37 4HH CL2 . 34868 2 322 . 1 . 1 41 41 4HH CM C 13 76.817 0.010 . 1 . . . . A 37 4HH CM . 34868 2 323 . 1 . 1 41 41 4HH CO C 13 38.123 0.024 . 1 . . . . A 37 4HH CO . 34868 2 324 . 1 . 1 41 41 4HH CP C 13 37.959 0.031 . 1 . . . . A 37 4HH CP . 34868 2 325 . 1 . 1 41 41 4HH CS C 13 44.979 0.000 . 1 . . . . A 37 4HH CS . 34868 2 326 . 1 . 1 41 41 4HH CT C 13 25.860 0.035 . 1 . . . . A 37 4HH CT . 34868 2 327 . 1 . 1 41 41 4HH HA H 1 3.875 0.005 . 1 . . . . A 37 4HH HA . 34868 2 328 . 1 . 1 41 41 4HH HB2 H 1 4.204 0.008 . 2 . . . . A 37 4HH HB2 . 34868 2 329 . 1 . 1 41 41 4HH HB2 H 1 4.206 0.007 . 2 . . . . A 37 4HH HB2 . 34868 2 330 . 1 . 1 41 41 4HH HJ2 H 1 3.827 0.014 . 2 . . . . A 37 4HH HJ2 . 34868 2 331 . 1 . 1 41 41 4HH HJ3 H 1 3.418 0.012 . 2 . . . . A 37 4HH HJ3 . 34868 2 332 . 1 . 1 41 41 4HH HL11 H 1 1.011 0.006 . 1 . . . . A 37 4HH HL11 . 34868 2 333 . 1 . 1 41 41 4HH HL12 H 1 1.011 0.006 . 1 . . . . A 37 4HH HL12 . 34868 2 334 . 1 . 1 41 41 4HH HL13 H 1 1.011 0.006 . 1 . . . . A 37 4HH HL13 . 34868 2 335 . 1 . 1 41 41 4HH HL21 H 1 0.867 0.010 . 1 . . . . A 37 4HH HL21 . 34868 2 336 . 1 . 1 41 41 4HH HL22 H 1 0.867 0.010 . 1 . . . . A 37 4HH HL22 . 34868 2 337 . 1 . 1 41 41 4HH HL23 H 1 0.867 0.010 . 1 . . . . A 37 4HH HL23 . 34868 2 338 . 1 . 1 41 41 4HH HL3 H 1 4.045 0.007 . 1 . . . . A 37 4HH HL3 . 34868 2 339 . 1 . 1 41 41 4HH HO2 H 1 3.431 0.013 . 1 . . . . A 37 4HH HO2 . 34868 2 340 . 1 . 1 41 41 4HH HO3 H 1 3.431 0.013 . 1 . . . . A 37 4HH HO3 . 34868 2 341 . 1 . 1 41 41 4HH HP2 H 1 2.425 0.003 . 1 . . . . A 37 4HH HP2 . 34868 2 342 . 1 . 1 41 41 4HH HP3 H 1 2.425 0.003 . 1 . . . . A 37 4HH HP3 . 34868 2 343 . 1 . 1 41 41 4HH HS2 H 1 3.298 0.000 . 1 . . . . A 37 4HH HS2 . 34868 2 344 . 1 . 1 41 41 4HH HS3 H 1 3.298 0.000 . 1 . . . . A 37 4HH HS3 . 34868 2 345 . 1 . 1 41 41 4HH HT2 H 1 2.589 0.004 . 1 . . . . A 37 4HH HT2 . 34868 2 346 . 1 . 1 41 41 4HH HT3 H 1 2.589 0.004 . 1 . . . . A 37 4HH HT3 . 34868 2 347 . 1 . 1 42 42 LEU HA H 1 4.178 0.006 . 1 . . . . A 38 LEU HA . 34868 2 348 . 1 . 1 42 42 LEU HB2 H 1 1.602 0.011 . 2 . . . . A 38 LEU HB2 . 34868 2 349 . 1 . 1 42 42 LEU HB3 H 1 1.503 0.012 . 2 . . . . A 38 LEU HB3 . 34868 2 350 . 1 . 1 42 42 LEU HG H 1 1.618 0.003 . 1 . . . . A 38 LEU HG . 34868 2 351 . 1 . 1 42 42 LEU HD11 H 1 0.889 0.014 . 2 . . . . A 38 LEU HD11 . 34868 2 352 . 1 . 1 42 42 LEU HD12 H 1 0.889 0.014 . 2 . . . . A 38 LEU HD12 . 34868 2 353 . 1 . 1 42 42 LEU HD13 H 1 0.889 0.014 . 2 . . . . A 38 LEU HD13 . 34868 2 354 . 1 . 1 42 42 LEU HD21 H 1 0.911 0.017 . 2 . . . . A 38 LEU HD21 . 34868 2 355 . 1 . 1 42 42 LEU HD22 H 1 0.911 0.017 . 2 . . . . A 38 LEU HD22 . 34868 2 356 . 1 . 1 42 42 LEU HD23 H 1 0.911 0.017 . 2 . . . . A 38 LEU HD23 . 34868 2 357 . 1 . 1 42 42 LEU CA C 13 57.762 0.078 . 1 . . . . A 38 LEU CA . 34868 2 358 . 1 . 1 42 42 LEU CB C 13 41.162 0.030 . 1 . . . . A 38 LEU CB . 34868 2 359 . 1 . 1 42 42 LEU CG C 13 27.106 0.090 . 1 . . . . A 38 LEU CG . 34868 2 360 . 1 . 1 42 42 LEU CD1 C 13 24.143 0.028 . 2 . . . . A 38 LEU CD1 . 34868 2 361 . 1 . 1 42 42 LEU CD2 C 13 24.140 0.030 . 2 . . . . A 38 LEU CD2 . 34868 2 362 . 1 . 1 43 43 HIS H H 1 7.795 0.003 . 1 . . . . A 39 HIS H . 34868 2 363 . 1 . 1 43 43 HIS HA H 1 4.468 0.006 . 1 . . . . A 39 HIS HA . 34868 2 364 . 1 . 1 43 43 HIS HB2 H 1 3.196 0.007 . 2 . . . . A 39 HIS HB2 . 34868 2 365 . 1 . 1 43 43 HIS HB3 H 1 2.976 0.004 . 2 . . . . A 39 HIS HB3 . 34868 2 366 . 1 . 1 43 43 HIS HD2 H 1 6.755 0.005 . 1 . . . . A 39 HIS HD2 . 34868 2 367 . 1 . 1 43 43 HIS CA C 13 57.557 0.047 . 1 . . . . A 39 HIS CA . 34868 2 368 . 1 . 1 43 43 HIS CB C 13 31.251 0.060 . 1 . . . . A 39 HIS CB . 34868 2 369 . 1 . 1 43 43 HIS CD2 C 13 117.398 0.028 . 1 . . . . A 39 HIS CD2 . 34868 2 370 . 1 . 1 44 44 PHE H H 1 7.795 0.003 . 1 . . . . A 40 PHE H . 34868 2 371 . 1 . 1 44 44 PHE HA H 1 4.416 0.014 . 1 . . . . A 40 PHE HA . 34868 2 372 . 1 . 1 44 44 PHE HB2 H 1 3.002 0.008 . 2 . . . . A 40 PHE HB2 . 34868 2 373 . 1 . 1 44 44 PHE HB3 H 1 3.369 0.009 . 2 . . . . A 40 PHE HB3 . 34868 2 374 . 1 . 1 44 44 PHE HD1 H 1 6.978 0.006 . 1 . . . . A 40 PHE HD1 . 34868 2 375 . 1 . 1 44 44 PHE HD2 H 1 6.978 0.006 . 1 . . . . A 40 PHE HD2 . 34868 2 376 . 1 . 1 44 44 PHE HE1 H 1 7.038 0.014 . 1 . . . . A 40 PHE HE1 . 34868 2 377 . 1 . 1 44 44 PHE HE2 H 1 7.038 0.014 . 1 . . . . A 40 PHE HE2 . 34868 2 378 . 1 . 1 44 44 PHE CA C 13 59.738 0.085 . 1 . . . . A 40 PHE CA . 34868 2 379 . 1 . 1 44 44 PHE CB C 13 37.760 0.078 . 1 . . . . A 40 PHE CB . 34868 2 380 . 1 . 1 44 44 PHE CD1 C 13 130.693 0.167 . 1 . . . . A 40 PHE CD1 . 34868 2 381 . 1 . 1 44 44 PHE CD2 C 13 130.693 0.167 . 1 . . . . A 40 PHE CD2 . 34868 2 382 . 1 . 1 44 44 PHE CE1 C 13 131.426 0.089 . 1 . . . . A 40 PHE CE1 . 34868 2 383 . 1 . 1 44 44 PHE CE2 C 13 131.426 0.089 . 1 . . . . A 40 PHE CE2 . 34868 2 384 . 1 . 1 45 45 VAL HA H 1 3.859 0.009 . 1 . . . . A 41 VAL HA . 34868 2 385 . 1 . 1 45 45 VAL HB H 1 2.353 0.014 . 1 . . . . A 41 VAL HB . 34868 2 386 . 1 . 1 45 45 VAL HG11 H 1 1.071 0.009 . 2 . . . . A 41 VAL HG11 . 34868 2 387 . 1 . 1 45 45 VAL HG12 H 1 1.071 0.009 . 2 . . . . A 41 VAL HG12 . 34868 2 388 . 1 . 1 45 45 VAL HG13 H 1 1.071 0.009 . 2 . . . . A 41 VAL HG13 . 34868 2 389 . 1 . 1 45 45 VAL HG21 H 1 1.236 0.003 . 2 . . . . A 41 VAL HG21 . 34868 2 390 . 1 . 1 45 45 VAL HG22 H 1 1.236 0.003 . 2 . . . . A 41 VAL HG22 . 34868 2 391 . 1 . 1 45 45 VAL HG23 H 1 1.236 0.003 . 2 . . . . A 41 VAL HG23 . 34868 2 392 . 1 . 1 45 45 VAL CA C 13 65.754 0.061 . 1 . . . . A 41 VAL CA . 34868 2 393 . 1 . 1 45 45 VAL CB C 13 32.085 0.037 . 1 . . . . A 41 VAL CB . 34868 2 394 . 1 . 1 45 45 VAL CG1 C 13 20.889 0.071 . 2 . . . . A 41 VAL CG1 . 34868 2 395 . 1 . 1 45 45 VAL CG2 C 13 22.707 0.035 . 2 . . . . A 41 VAL CG2 . 34868 2 396 . 1 . 1 46 46 GLN HA H 1 4.163 0.019 . 1 . . . . A 42 GLN HA . 34868 2 397 . 1 . 1 46 46 GLN HB2 H 1 2.057 0.005 . 2 . . . . A 42 GLN HB2 . 34868 2 398 . 1 . 1 46 46 GLN HB3 H 1 2.326 0.008 . 2 . . . . A 42 GLN HB3 . 34868 2 399 . 1 . 1 46 46 GLN HG2 H 1 2.447 0.014 . 2 . . . . A 42 GLN HG2 . 34868 2 400 . 1 . 1 46 46 GLN HG3 H 1 2.620 0.011 . 2 . . . . A 42 GLN HG3 . 34868 2 401 . 1 . 1 46 46 GLN CA C 13 58.757 0.040 . 1 . . . . A 42 GLN CA . 34868 2 402 . 1 . 1 46 46 GLN CB C 13 28.978 0.082 . 1 . . . . A 42 GLN CB . 34868 2 403 . 1 . 1 46 46 GLN CG C 13 34.468 0.078 . 1 . . . . A 42 GLN CG . 34868 2 404 . 1 . 1 47 47 LEU HA H 1 3.978 0.008 . 1 . . . . A 43 LEU HA . 34868 2 405 . 1 . 1 47 47 LEU HB2 H 1 2.051 0.014 . 2 . . . . A 43 LEU HB2 . 34868 2 406 . 1 . 1 47 47 LEU HB3 H 1 1.704 0.010 . 2 . . . . A 43 LEU HB3 . 34868 2 407 . 1 . 1 47 47 LEU HG H 1 1.397 0.006 . 1 . . . . A 43 LEU HG . 34868 2 408 . 1 . 1 47 47 LEU HD11 H 1 0.344 0.006 . 2 . . . . A 43 LEU HD11 . 34868 2 409 . 1 . 1 47 47 LEU HD12 H 1 0.344 0.006 . 2 . . . . A 43 LEU HD12 . 34868 2 410 . 1 . 1 47 47 LEU HD13 H 1 0.344 0.006 . 2 . . . . A 43 LEU HD13 . 34868 2 411 . 1 . 1 47 47 LEU HD21 H 1 1.005 0.008 . 2 . . . . A 43 LEU HD21 . 34868 2 412 . 1 . 1 47 47 LEU HD22 H 1 1.005 0.008 . 2 . . . . A 43 LEU HD22 . 34868 2 413 . 1 . 1 47 47 LEU HD23 H 1 1.005 0.008 . 2 . . . . A 43 LEU HD23 . 34868 2 414 . 1 . 1 47 47 LEU CA C 13 58.434 0.066 . 1 . . . . A 43 LEU CA . 34868 2 415 . 1 . 1 47 47 LEU CB C 13 41.778 0.081 . 1 . . . . A 43 LEU CB . 34868 2 416 . 1 . 1 47 47 LEU CG C 13 26.905 0.057 . 1 . . . . A 43 LEU CG . 34868 2 417 . 1 . 1 47 47 LEU CD1 C 13 25.696 0.028 . 2 . . . . A 43 LEU CD1 . 34868 2 418 . 1 . 1 47 47 LEU CD2 C 13 23.348 0.095 . 2 . . . . A 43 LEU CD2 . 34868 2 419 . 1 . 1 48 48 ALA HA H 1 3.703 0.004 . 1 . . . . A 44 ALA HA . 34868 2 420 . 1 . 1 48 48 ALA HB1 H 1 1.393 0.008 . 1 . . . . A 44 ALA HB1 . 34868 2 421 . 1 . 1 48 48 ALA HB2 H 1 1.393 0.008 . 1 . . . . A 44 ALA HB2 . 34868 2 422 . 1 . 1 48 48 ALA HB3 H 1 1.393 0.008 . 1 . . . . A 44 ALA HB3 . 34868 2 423 . 1 . 1 48 48 ALA CA C 13 56.161 0.011 . 1 . . . . A 44 ALA CA . 34868 2 424 . 1 . 1 48 48 ALA CB C 13 17.230 0.026 . 1 . . . . A 44 ALA CB . 34868 2 425 . 1 . 1 49 49 SER HA H 1 4.295 0.008 . 1 . . . . A 45 SER HA . 34868 2 426 . 1 . 1 49 49 SER HB2 H 1 4.027 0.012 . 2 . . . . A 45 SER HB2 . 34868 2 427 . 1 . 1 49 49 SER HB3 H 1 4.031 0.016 . 2 . . . . A 45 SER HB3 . 34868 2 428 . 1 . 1 49 49 SER CA C 13 61.317 0.096 . 1 . . . . A 45 SER CA . 34868 2 429 . 1 . 1 49 49 SER CB C 13 63.075 0.030 . 1 . . . . A 45 SER CB . 34868 2 430 . 1 . 1 50 50 ARG HA H 1 4.139 0.015 . 1 . . . . A 46 ARG HA . 34868 2 431 . 1 . 1 50 50 ARG HB2 H 1 2.147 0.004 . 2 . . . . A 46 ARG HB2 . 34868 2 432 . 1 . 1 50 50 ARG HB3 H 1 1.921 0.002 . 2 . . . . A 46 ARG HB3 . 34868 2 433 . 1 . 1 50 50 ARG HG2 H 1 1.759 0.005 . 2 . . . . A 46 ARG HG2 . 34868 2 434 . 1 . 1 50 50 ARG HG3 H 1 1.761 0.006 . 2 . . . . A 46 ARG HG3 . 34868 2 435 . 1 . 1 50 50 ARG HD2 H 1 3.162 0.014 . 2 . . . . A 46 ARG HD2 . 34868 2 436 . 1 . 1 50 50 ARG HD3 H 1 3.306 0.003 . 2 . . . . A 46 ARG HD3 . 34868 2 437 . 1 . 1 50 50 ARG CA C 13 58.982 0.090 . 1 . . . . A 46 ARG CA . 34868 2 438 . 1 . 1 50 50 ARG CB C 13 29.910 0.023 . 1 . . . . A 46 ARG CB . 34868 2 439 . 1 . 1 50 50 ARG CG C 13 26.798 0.080 . 1 . . . . A 46 ARG CG . 34868 2 440 . 1 . 1 50 50 ARG CD C 13 42.788 0.037 . 1 . . . . A 46 ARG CD . 34868 2 441 . 1 . 1 51 51 LEU HA H 1 4.068 0.016 . 1 . . . . A 47 LEU HA . 34868 2 442 . 1 . 1 51 51 LEU HB2 H 1 1.514 0.013 . 2 . . . . A 47 LEU HB2 . 34868 2 443 . 1 . 1 51 51 LEU HB3 H 1 2.128 0.017 . 2 . . . . A 47 LEU HB3 . 34868 2 444 . 1 . 1 51 51 LEU HG H 1 2.340 0.010 . 1 . . . . A 47 LEU HG . 34868 2 445 . 1 . 1 51 51 LEU HD11 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD11 . 34868 2 446 . 1 . 1 51 51 LEU HD12 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD12 . 34868 2 447 . 1 . 1 51 51 LEU HD13 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD13 . 34868 2 448 . 1 . 1 51 51 LEU HD21 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD21 . 34868 2 449 . 1 . 1 51 51 LEU HD22 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD22 . 34868 2 450 . 1 . 1 51 51 LEU HD23 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD23 . 34868 2 451 . 1 . 1 51 51 LEU CA C 13 58.286 0.072 . 1 . . . . A 47 LEU CA . 34868 2 452 . 1 . 1 51 51 LEU CB C 13 41.131 0.061 . 1 . . . . A 47 LEU CB . 34868 2 453 . 1 . 1 51 51 LEU CG C 13 26.416 0.027 . 1 . . . . A 47 LEU CG . 34868 2 454 . 1 . 1 51 51 LEU CD1 C 13 27.190 0.037 . 2 . . . . A 47 LEU CD1 . 34868 2 455 . 1 . 1 51 51 LEU CD2 C 13 27.191 0.037 . 2 . . . . A 47 LEU CD2 . 34868 2 456 . 1 . 1 52 52 GLN HA H 1 4.689 0.008 . 1 . . . . A 48 GLN HA . 34868 2 457 . 1 . 1 52 52 GLN HB2 H 1 2.304 0.007 . 2 . . . . A 48 GLN HB2 . 34868 2 458 . 1 . 1 52 52 GLN HB3 H 1 2.526 0.004 . 2 . . . . A 48 GLN HB3 . 34868 2 459 . 1 . 1 52 52 GLN HG2 H 1 2.765 0.004 . 2 . . . . A 48 GLN HG2 . 34868 2 460 . 1 . 1 52 52 GLN HG3 H 1 2.412 0.003 . 2 . . . . A 48 GLN HG3 . 34868 2 461 . 1 . 1 52 52 GLN CA C 13 59.365 0.039 . 1 . . . . A 48 GLN CA . 34868 2 462 . 1 . 1 52 52 GLN CB C 13 28.542 0.008 . 1 . . . . A 48 GLN CB . 34868 2 463 . 1 . 1 52 52 GLN CG C 13 33.536 0.109 . 1 . . . . A 48 GLN CG . 34868 2 464 . 1 . 1 53 53 LYS HA H 1 4.122 0.005 . 1 . . . . A 49 LYS HA . 34868 2 465 . 1 . 1 53 53 LYS HB2 H 1 2.032 0.009 . 2 . . . . A 49 LYS HB2 . 34868 2 466 . 1 . 1 53 53 LYS HB3 H 1 2.034 0.009 . 2 . . . . A 49 LYS HB3 . 34868 2 467 . 1 . 1 53 53 LYS HG2 H 1 1.562 0.001 . 2 . . . . A 49 LYS HG2 . 34868 2 468 . 1 . 1 53 53 LYS HG3 H 1 1.558 0.005 . 2 . . . . A 49 LYS HG3 . 34868 2 469 . 1 . 1 53 53 LYS HD2 H 1 1.731 0.008 . 1 . . . . A 49 LYS HD2 . 34868 2 470 . 1 . 1 53 53 LYS HD3 H 1 1.732 0.008 . 1 . . . . A 49 LYS HD3 . 34868 2 471 . 1 . 1 53 53 LYS HE2 H 1 2.991 0.014 . 2 . . . . A 49 LYS HE2 . 34868 2 472 . 1 . 1 53 53 LYS HE3 H 1 2.990 0.014 . 2 . . . . A 49 LYS HE3 . 34868 2 473 . 1 . 1 53 53 LYS CA C 13 58.835 0.060 . 1 . . . . A 49 LYS CA . 34868 2 474 . 1 . 1 53 53 LYS CB C 13 32.313 0.079 . 1 . . . . A 49 LYS CB . 34868 2 475 . 1 . 1 53 53 LYS CG C 13 25.045 0.031 . 1 . . . . A 49 LYS CG . 34868 2 476 . 1 . 1 53 53 LYS CD C 13 28.784 0.072 . 1 . . . . A 49 LYS CD . 34868 2 477 . 1 . 1 53 53 LYS CE C 13 41.903 0.075 . 1 . . . . A 49 LYS CE . 34868 2 478 . 1 . 1 54 54 ILE HA H 1 3.606 0.007 . 1 . . . . A 50 ILE HA . 34868 2 479 . 1 . 1 54 54 ILE HB H 1 1.226 0.009 . 1 . . . . A 50 ILE HB . 34868 2 480 . 1 . 1 54 54 ILE HG12 H 1 1.704 0.005 . 2 . . . . A 50 ILE HG12 . 34868 2 481 . 1 . 1 54 54 ILE HG13 H 1 0.852 0.045 . 2 . . . . A 50 ILE HG13 . 34868 2 482 . 1 . 1 54 54 ILE HG21 H 1 0.084 0.007 . 1 . . . . A 50 ILE HG21 . 34868 2 483 . 1 . 1 54 54 ILE HG22 H 1 0.084 0.007 . 1 . . . . A 50 ILE HG22 . 34868 2 484 . 1 . 1 54 54 ILE HG23 H 1 0.084 0.007 . 1 . . . . A 50 ILE HG23 . 34868 2 485 . 1 . 1 54 54 ILE HD11 H 1 0.631 0.010 . 1 . . . . A 50 ILE HD11 . 34868 2 486 . 1 . 1 54 54 ILE HD12 H 1 0.631 0.010 . 1 . . . . A 50 ILE HD12 . 34868 2 487 . 1 . 1 54 54 ILE HD13 H 1 0.631 0.010 . 1 . . . . A 50 ILE HD13 . 34868 2 488 . 1 . 1 54 54 ILE CA C 13 65.353 0.082 . 1 . . . . A 50 ILE CA . 34868 2 489 . 1 . 1 54 54 ILE CB C 13 39.526 0.058 . 1 . . . . A 50 ILE CB . 34868 2 490 . 1 . 1 54 54 ILE CG1 C 13 28.247 0.131 . 1 . . . . A 50 ILE CG1 . 34868 2 491 . 1 . 1 54 54 ILE CG2 C 13 16.673 0.107 . 1 . . . . A 50 ILE CG2 . 34868 2 492 . 1 . 1 54 54 ILE CD1 C 13 13.880 0.034 . 1 . . . . A 50 ILE CD1 . 34868 2 493 . 1 . 1 55 55 PHE HA H 1 4.775 0.013 . 1 . . . . A 51 PHE HA . 34868 2 494 . 1 . 1 55 55 PHE HB2 H 1 2.926 0.005 . 2 . . . . A 51 PHE HB2 . 34868 2 495 . 1 . 1 55 55 PHE HB3 H 1 3.167 0.011 . 2 . . . . A 51 PHE HB3 . 34868 2 496 . 1 . 1 55 55 PHE HD1 H 1 7.450 0.009 . 1 . . . . A 51 PHE HD1 . 34868 2 497 . 1 . 1 55 55 PHE HD2 H 1 7.450 0.009 . 1 . . . . A 51 PHE HD2 . 34868 2 498 . 1 . 1 55 55 PHE HE1 H 1 7.233 0.013 . 1 . . . . A 51 PHE HE1 . 34868 2 499 . 1 . 1 55 55 PHE HE2 H 1 7.233 0.013 . 1 . . . . A 51 PHE HE2 . 34868 2 500 . 1 . 1 55 55 PHE CA C 13 58.924 0.049 . 1 . . . . A 51 PHE CA . 34868 2 501 . 1 . 1 55 55 PHE CB C 13 40.536 0.115 . 1 . . . . A 51 PHE CB . 34868 2 502 . 1 . 1 55 55 PHE CD1 C 13 132.176 0.084 . 1 . . . . A 51 PHE CD1 . 34868 2 503 . 1 . 1 55 55 PHE CD2 C 13 132.176 0.084 . 1 . . . . A 51 PHE CD2 . 34868 2 504 . 1 . 1 55 55 PHE CE1 C 13 131.434 0.068 . 1 . . . . A 51 PHE CE1 . 34868 2 505 . 1 . 1 55 55 PHE CE2 C 13 131.434 0.068 . 1 . . . . A 51 PHE CE2 . 34868 2 506 . 1 . 1 56 56 GLY HA2 H 1 3.980 0.000 . 2 . . . . A 52 GLY HA2 . 34868 2 507 . 1 . 1 56 56 GLY HA3 H 1 4.033 0.000 . 2 . . . . A 52 GLY HA3 . 34868 2 508 . 1 . 1 56 56 GLY CA C 13 46.794 0.044 . 1 . . . . A 52 GLY CA . 34868 2 509 . 1 . 1 57 57 VAL HA H 1 4.495 0.005 . 1 . . . . A 53 VAL HA . 34868 2 510 . 1 . 1 57 57 VAL HB H 1 1.974 0.006 . 1 . . . . A 53 VAL HB . 34868 2 511 . 1 . 1 57 57 VAL HG11 H 1 0.791 0.005 . 2 . . . . A 53 VAL HG11 . 34868 2 512 . 1 . 1 57 57 VAL HG12 H 1 0.791 0.005 . 2 . . . . A 53 VAL HG12 . 34868 2 513 . 1 . 1 57 57 VAL HG13 H 1 0.791 0.005 . 2 . . . . A 53 VAL HG13 . 34868 2 514 . 1 . 1 57 57 VAL HG21 H 1 0.692 0.012 . 2 . . . . A 53 VAL HG21 . 34868 2 515 . 1 . 1 57 57 VAL HG22 H 1 0.692 0.012 . 2 . . . . A 53 VAL HG22 . 34868 2 516 . 1 . 1 57 57 VAL HG23 H 1 0.692 0.012 . 2 . . . . A 53 VAL HG23 . 34868 2 517 . 1 . 1 57 57 VAL CA C 13 58.248 0.008 . 1 . . . . A 53 VAL CA . 34868 2 518 . 1 . 1 57 57 VAL CB C 13 34.720 0.023 . 1 . . . . A 53 VAL CB . 34868 2 519 . 1 . 1 57 57 VAL CG1 C 13 21.455 0.058 . 2 . . . . A 53 VAL CG1 . 34868 2 520 . 1 . 1 57 57 VAL CG2 C 13 19.099 0.021 . 2 . . . . A 53 VAL CG2 . 34868 2 521 . 1 . 1 58 58 GLU HA H 1 4.114 0.004 . 1 . . . . A 54 GLU HA . 34868 2 522 . 1 . 1 58 58 GLU HB2 H 1 1.971 0.007 . 2 . . . . A 54 GLU HB2 . 34868 2 523 . 1 . 1 58 58 GLU HB3 H 1 1.961 0.004 . 2 . . . . A 54 GLU HB3 . 34868 2 524 . 1 . 1 58 58 GLU HG2 H 1 2.234 0.010 . 1 . . . . A 54 GLU HG2 . 34868 2 525 . 1 . 1 58 58 GLU HG3 H 1 2.234 0.010 . 1 . . . . A 54 GLU HG3 . 34868 2 526 . 1 . 1 58 58 GLU CA C 13 57.316 0.083 . 1 . . . . A 54 GLU CA . 34868 2 527 . 1 . 1 58 58 GLU CB C 13 29.516 0.087 . 1 . . . . A 54 GLU CB . 34868 2 528 . 1 . 1 58 58 GLU CG C 13 36.627 0.052 . 1 . . . . A 54 GLU CG . 34868 2 529 . 1 . 1 59 59 VAL HA H 1 4.560 0.005 . 1 . . . . A 55 VAL HA . 34868 2 530 . 1 . 1 59 59 VAL HB H 1 2.361 0.013 . 1 . . . . A 55 VAL HB . 34868 2 531 . 1 . 1 59 59 VAL HG11 H 1 1.014 0.014 . 2 . . . . A 55 VAL HG11 . 34868 2 532 . 1 . 1 59 59 VAL HG12 H 1 1.014 0.014 . 2 . . . . A 55 VAL HG12 . 34868 2 533 . 1 . 1 59 59 VAL HG13 H 1 1.014 0.014 . 2 . . . . A 55 VAL HG13 . 34868 2 534 . 1 . 1 59 59 VAL HG21 H 1 0.989 0.006 . 2 . . . . A 55 VAL HG21 . 34868 2 535 . 1 . 1 59 59 VAL HG22 H 1 0.989 0.006 . 2 . . . . A 55 VAL HG22 . 34868 2 536 . 1 . 1 59 59 VAL HG23 H 1 0.989 0.006 . 2 . . . . A 55 VAL HG23 . 34868 2 537 . 1 . 1 59 59 VAL CA C 13 61.868 0.022 . 1 . . . . A 55 VAL CA . 34868 2 538 . 1 . 1 59 59 VAL CB C 13 34.256 0.027 . 1 . . . . A 55 VAL CB . 34868 2 539 . 1 . 1 59 59 VAL CG1 C 13 21.926 0.020 . 2 . . . . A 55 VAL CG1 . 34868 2 540 . 1 . 1 59 59 VAL CG2 C 13 21.210 0.049 . 2 . . . . A 55 VAL CG2 . 34868 2 541 . 1 . 1 60 60 SER HA H 1 5.050 0.005 . 1 . . . . A 56 SER HA . 34868 2 542 . 1 . 1 60 60 SER HB2 H 1 4.329 0.007 . 2 . . . . A 56 SER HB2 . 34868 2 543 . 1 . 1 60 60 SER HB3 H 1 3.982 0.007 . 2 . . . . A 56 SER HB3 . 34868 2 544 . 1 . 1 60 60 SER CA C 13 56.071 0.009 . 1 . . . . A 56 SER CA . 34868 2 545 . 1 . 1 60 60 SER CB C 13 67.090 0.019 . 1 . . . . A 56 SER CB . 34868 2 546 . 1 . 1 61 61 THR HA H 1 3.598 0.011 . 1 . . . . A 57 THR HA . 34868 2 547 . 1 . 1 61 61 THR HB H 1 4.110 0.018 . 1 . . . . A 57 THR HB . 34868 2 548 . 1 . 1 61 61 THR HG21 H 1 1.288 0.014 . 1 . . . . A 57 THR HG21 . 34868 2 549 . 1 . 1 61 61 THR HG22 H 1 1.288 0.014 . 1 . . . . A 57 THR HG22 . 34868 2 550 . 1 . 1 61 61 THR HG23 H 1 1.288 0.014 . 1 . . . . A 57 THR HG23 . 34868 2 551 . 1 . 1 61 61 THR CA C 13 66.852 0.034 . 1 . . . . A 57 THR CA . 34868 2 552 . 1 . 1 61 61 THR CB C 13 67.863 0.074 . 1 . . . . A 57 THR CB . 34868 2 553 . 1 . 1 61 61 THR CG2 C 13 23.378 0.029 . 1 . . . . A 57 THR CG2 . 34868 2 554 . 1 . 1 62 62 GLU HA H 1 4.026 0.006 . 1 . . . . A 58 GLU HA . 34868 2 555 . 1 . 1 62 62 GLU HB2 H 1 2.009 0.000 . 2 . . . . A 58 GLU HB2 . 34868 2 556 . 1 . 1 62 62 GLU HB3 H 1 1.936 0.006 . 2 . . . . A 58 GLU HB3 . 34868 2 557 . 1 . 1 62 62 GLU HG2 H 1 2.293 0.014 . 1 . . . . A 58 GLU HG2 . 34868 2 558 . 1 . 1 62 62 GLU CA C 13 59.991 0.091 . 1 . . . . A 58 GLU CA . 34868 2 559 . 1 . 1 62 62 GLU CG C 13 36.797 0.158 . 1 . . . . A 58 GLU CG . 34868 2 560 . 1 . 1 63 63 ASP HA H 1 4.151 0.009 . 1 . . . . A 59 ASP HA . 34868 2 561 . 1 . 1 63 63 ASP HB2 H 1 2.980 0.016 . 2 . . . . A 59 ASP HB2 . 34868 2 562 . 1 . 1 63 63 ASP HB3 H 1 1.822 0.001 . 2 . . . . A 59 ASP HB3 . 34868 2 563 . 1 . 1 63 63 ASP CA C 13 57.796 0.030 . 1 . . . . A 59 ASP CA . 34868 2 564 . 1 . 1 63 63 ASP CB C 13 41.241 0.055 . 1 . . . . A 59 ASP CB . 34868 2 565 . 1 . 1 64 64 VAL H H 1 7.306 0.001 . 1 . . . . A 60 VAL H . 34868 2 566 . 1 . 1 64 64 VAL HA H 1 3.350 0.006 . 1 . . . . A 60 VAL HA . 34868 2 567 . 1 . 1 64 64 VAL HB H 1 1.920 0.012 . 1 . . . . A 60 VAL HB . 34868 2 568 . 1 . 1 64 64 VAL HG11 H 1 0.044 0.024 . 2 . . . . A 60 VAL HG11 . 34868 2 569 . 1 . 1 64 64 VAL HG12 H 1 0.044 0.024 . 2 . . . . A 60 VAL HG12 . 34868 2 570 . 1 . 1 64 64 VAL HG13 H 1 0.044 0.024 . 2 . . . . A 60 VAL HG13 . 34868 2 571 . 1 . 1 64 64 VAL HG21 H 1 0.785 0.012 . 2 . . . . A 60 VAL HG21 . 34868 2 572 . 1 . 1 64 64 VAL HG22 H 1 0.785 0.012 . 2 . . . . A 60 VAL HG22 . 34868 2 573 . 1 . 1 64 64 VAL HG23 H 1 0.785 0.012 . 2 . . . . A 60 VAL HG23 . 34868 2 574 . 1 . 1 64 64 VAL CA C 13 66.087 0.023 . 1 . . . . A 60 VAL CA . 34868 2 575 . 1 . 1 64 64 VAL CB C 13 30.932 0.067 . 1 . . . . A 60 VAL CB . 34868 2 576 . 1 . 1 64 64 VAL CG1 C 13 21.685 0.061 . 2 . . . . A 60 VAL CG1 . 34868 2 577 . 1 . 1 64 64 VAL CG2 C 13 21.641 0.055 . 2 . . . . A 60 VAL CG2 . 34868 2 578 . 1 . 1 65 65 PHE H H 1 7.377 0.003 . 1 . . . . A 61 PHE H . 34868 2 579 . 1 . 1 65 65 PHE HA H 1 4.166 0.007 . 1 . . . . A 61 PHE HA . 34868 2 580 . 1 . 1 65 65 PHE HB2 H 1 3.034 0.013 . 2 . . . . A 61 PHE HB2 . 34868 2 581 . 1 . 1 65 65 PHE HB3 H 1 3.063 0.024 . 2 . . . . A 61 PHE HB3 . 34868 2 582 . 1 . 1 65 65 PHE HD1 H 1 7.077 0.007 . 1 . . . . A 61 PHE HD1 . 34868 2 583 . 1 . 1 65 65 PHE HD2 H 1 7.077 0.007 . 1 . . . . A 61 PHE HD2 . 34868 2 584 . 1 . 1 65 65 PHE HE1 H 1 7.178 0.012 . 1 . . . . A 61 PHE HE1 . 34868 2 585 . 1 . 1 65 65 PHE HE2 H 1 7.178 0.012 . 1 . . . . A 61 PHE HE2 . 34868 2 586 . 1 . 1 65 65 PHE CA C 13 60.405 0.062 . 1 . . . . A 61 PHE CA . 34868 2 587 . 1 . 1 65 65 PHE CB C 13 38.905 0.050 . 1 . . . . A 61 PHE CB . 34868 2 588 . 1 . 1 65 65 PHE CD1 C 13 131.584 0.047 . 1 . . . . A 61 PHE CD1 . 34868 2 589 . 1 . 1 65 65 PHE CD2 C 13 131.584 0.047 . 1 . . . . A 61 PHE CD2 . 34868 2 590 . 1 . 1 65 65 PHE CE1 C 13 131.531 0.046 . 1 . . . . A 61 PHE CE1 . 34868 2 591 . 1 . 1 65 65 PHE CE2 C 13 131.531 0.046 . 1 . . . . A 61 PHE CE2 . 34868 2 592 . 1 . 1 66 66 ARG HA H 1 3.902 0.007 . 1 . . . . A 62 ARG HA . 34868 2 593 . 1 . 1 66 66 ARG HB2 H 1 1.317 0.009 . 2 . . . . A 62 ARG HB2 . 34868 2 594 . 1 . 1 66 66 ARG HB3 H 1 1.608 0.006 . 2 . . . . A 62 ARG HB3 . 34868 2 595 . 1 . 1 66 66 ARG HG2 H 1 1.198 0.006 . 2 . . . . A 62 ARG HG2 . 34868 2 596 . 1 . 1 66 66 ARG HG3 H 1 1.448 0.004 . 2 . . . . A 62 ARG HG3 . 34868 2 597 . 1 . 1 66 66 ARG HD2 H 1 3.068 0.023 . 2 . . . . A 62 ARG HD2 . 34868 2 598 . 1 . 1 66 66 ARG HD3 H 1 3.042 0.016 . 2 . . . . A 62 ARG HD3 . 34868 2 599 . 1 . 1 66 66 ARG CA C 13 58.126 0.073 . 1 . . . . A 62 ARG CA . 34868 2 600 . 1 . 1 66 66 ARG CB C 13 30.899 0.032 . 1 . . . . A 62 ARG CB . 34868 2 601 . 1 . 1 66 66 ARG CG C 13 27.861 0.018 . 1 . . . . A 62 ARG CG . 34868 2 602 . 1 . 1 66 66 ARG CD C 13 43.083 0.067 . 1 . . . . A 62 ARG CD . 34868 2 603 . 1 . 1 67 67 HIS HA H 1 4.714 0.006 . 1 . . . . A 63 HIS HA . 34868 2 604 . 1 . 1 67 67 HIS HB2 H 1 2.569 0.012 . 2 . . . . A 63 HIS HB2 . 34868 2 605 . 1 . 1 67 67 HIS HB3 H 1 3.042 0.009 . 2 . . . . A 63 HIS HB3 . 34868 2 606 . 1 . 1 67 67 HIS HD2 H 1 6.660 0.007 . 1 . . . . A 63 HIS HD2 . 34868 2 607 . 1 . 1 67 67 HIS HE1 H 1 7.815 0.015 . 1 . . . . A 63 HIS HE1 . 34868 2 608 . 1 . 1 67 67 HIS CA C 13 54.806 0.030 . 1 . . . . A 63 HIS CA . 34868 2 609 . 1 . 1 67 67 HIS CB C 13 28.240 0.054 . 1 . . . . A 63 HIS CB . 34868 2 610 . 1 . 1 67 67 HIS CD2 C 13 122.048 0.025 . 1 . . . . A 63 HIS CD2 . 34868 2 611 . 1 . 1 68 68 GLY HA2 H 1 3.731 0.004 . 2 . . . . A 64 GLY HA2 . 34868 2 612 . 1 . 1 68 68 GLY HA3 H 1 4.386 0.004 . 2 . . . . A 64 GLY HA3 . 34868 2 613 . 1 . 1 68 68 GLY CA C 13 49.334 0.035 . 1 . . . . A 64 GLY CA . 34868 2 614 . 1 . 1 69 69 THR HA H 1 3.851 0.010 . 1 . . . . A 65 THR HA . 34868 2 615 . 1 . 1 69 69 THR HB H 1 4.163 0.016 . 1 . . . . A 65 THR HB . 34868 2 616 . 1 . 1 69 69 THR HG21 H 1 0.847 0.005 . 1 . . . . A 65 THR HG21 . 34868 2 617 . 1 . 1 69 69 THR HG22 H 1 0.847 0.005 . 1 . . . . A 65 THR HG22 . 34868 2 618 . 1 . 1 69 69 THR HG23 H 1 0.847 0.005 . 1 . . . . A 65 THR HG23 . 34868 2 619 . 1 . 1 69 69 THR CA C 13 58.264 0.047 . 1 . . . . A 65 THR CA . 34868 2 620 . 1 . 1 69 69 THR CB C 13 73.257 0.021 . 1 . . . . A 65 THR CB . 34868 2 621 . 1 . 1 69 69 THR CG2 C 13 21.489 0.072 . 1 . . . . A 65 THR CG2 . 34868 2 622 . 1 . 1 70 70 VAL HA H 1 3.605 0.011 . 1 . . . . A 66 VAL HA . 34868 2 623 . 1 . 1 70 70 VAL HB H 1 2.303 0.008 . 1 . . . . A 66 VAL HB . 34868 2 624 . 1 . 1 70 70 VAL HG11 H 1 1.332 0.014 . 2 . . . . A 66 VAL HG11 . 34868 2 625 . 1 . 1 70 70 VAL HG12 H 1 1.332 0.014 . 2 . . . . A 66 VAL HG12 . 34868 2 626 . 1 . 1 70 70 VAL HG13 H 1 1.332 0.014 . 2 . . . . A 66 VAL HG13 . 34868 2 627 . 1 . 1 70 70 VAL HG21 H 1 1.128 0.006 . 2 . . . . A 66 VAL HG21 . 34868 2 628 . 1 . 1 70 70 VAL HG22 H 1 1.128 0.006 . 2 . . . . A 66 VAL HG22 . 34868 2 629 . 1 . 1 70 70 VAL HG23 H 1 1.128 0.006 . 2 . . . . A 66 VAL HG23 . 34868 2 630 . 1 . 1 70 70 VAL CA C 13 67.486 0.068 . 1 . . . . A 66 VAL CA . 34868 2 631 . 1 . 1 70 70 VAL CB C 13 30.655 0.094 . 1 . . . . A 66 VAL CB . 34868 2 632 . 1 . 1 70 70 VAL CG1 C 13 23.576 0.025 . 2 . . . . A 66 VAL CG1 . 34868 2 633 . 1 . 1 70 70 VAL CG2 C 13 22.826 0.049 . 2 . . . . A 66 VAL CG2 . 34868 2 634 . 1 . 1 71 71 GLU HA H 1 3.955 0.015 . 1 . . . . A 67 GLU HA . 34868 2 635 . 1 . 1 71 71 GLU HB2 H 1 2.000 0.017 . 2 . . . . A 67 GLU HB2 . 34868 2 636 . 1 . 1 71 71 GLU HB3 H 1 1.925 0.012 . 2 . . . . A 67 GLU HB3 . 34868 2 637 . 1 . 1 71 71 GLU HG2 H 1 2.355 0.012 . 2 . . . . A 67 GLU HG2 . 34868 2 638 . 1 . 1 71 71 GLU HG3 H 1 2.099 0.011 . 2 . . . . A 67 GLU HG3 . 34868 2 639 . 1 . 1 71 71 GLU CA C 13 59.894 0.061 . 1 . . . . A 67 GLU CA . 34868 2 640 . 1 . 1 71 71 GLU CB C 13 30.179 0.000 . 1 . . . . A 67 GLU CB . 34868 2 641 . 1 . 1 71 71 GLU CG C 13 36.107 0.066 . 1 . . . . A 67 GLU CG . 34868 2 642 . 1 . 1 72 72 GLN HA H 1 4.093 0.003 . 1 . . . . A 68 GLN HA . 34868 2 643 . 1 . 1 72 72 GLN HB2 H 1 1.955 0.012 . 2 . . . . A 68 GLN HB2 . 34868 2 644 . 1 . 1 72 72 GLN HB3 H 1 2.332 0.000 . 2 . . . . A 68 GLN HB3 . 34868 2 645 . 1 . 1 72 72 GLN HG2 H 1 2.482 0.004 . 1 . . . . A 68 GLN HG2 . 34868 2 646 . 1 . 1 72 72 GLN HG3 H 1 2.482 0.004 . 1 . . . . A 68 GLN HG3 . 34868 2 647 . 1 . 1 72 72 GLN CA C 13 58.828 0.132 . 1 . . . . A 68 GLN CA . 34868 2 648 . 1 . 1 72 72 GLN CB C 13 29.530 0.000 . 1 . . . . A 68 GLN CB . 34868 2 649 . 1 . 1 72 72 GLN CG C 13 34.769 0.105 . 1 . . . . A 68 GLN CG . 34868 2 650 . 1 . 1 73 73 LEU HA H 1 4.240 0.009 . 1 . . . . A 69 LEU HA . 34868 2 651 . 1 . 1 73 73 LEU HB2 H 1 1.989 0.014 . 2 . . . . A 69 LEU HB2 . 34868 2 652 . 1 . 1 73 73 LEU HB3 H 1 2.377 0.008 . 2 . . . . A 69 LEU HB3 . 34868 2 653 . 1 . 1 73 73 LEU HG H 1 1.721 0.012 . 1 . . . . A 69 LEU HG . 34868 2 654 . 1 . 1 73 73 LEU HD11 H 1 0.898 0.003 . 2 . . . . A 69 LEU HD11 . 34868 2 655 . 1 . 1 73 73 LEU HD12 H 1 0.898 0.003 . 2 . . . . A 69 LEU HD12 . 34868 2 656 . 1 . 1 73 73 LEU HD13 H 1 0.898 0.003 . 2 . . . . A 69 LEU HD13 . 34868 2 657 . 1 . 1 73 73 LEU HD21 H 1 0.981 0.007 . 2 . . . . A 69 LEU HD21 . 34868 2 658 . 1 . 1 73 73 LEU HD22 H 1 0.981 0.007 . 2 . . . . A 69 LEU HD22 . 34868 2 659 . 1 . 1 73 73 LEU HD23 H 1 0.981 0.007 . 2 . . . . A 69 LEU HD23 . 34868 2 660 . 1 . 1 73 73 LEU CA C 13 57.801 0.037 . 1 . . . . A 69 LEU CA . 34868 2 661 . 1 . 1 73 73 LEU CB C 13 41.576 0.044 . 1 . . . . A 69 LEU CB . 34868 2 662 . 1 . 1 73 73 LEU CG C 13 27.211 0.025 . 1 . . . . A 69 LEU CG . 34868 2 663 . 1 . 1 73 73 LEU CD1 C 13 28.176 0.026 . 2 . . . . A 69 LEU CD1 . 34868 2 664 . 1 . 1 73 73 LEU CD2 C 13 23.025 0.085 . 2 . . . . A 69 LEU CD2 . 34868 2 665 . 1 . 1 74 74 ALA HA H 1 3.799 0.006 . 1 . . . . A 70 ALA HA . 34868 2 666 . 1 . 1 74 74 ALA HB1 H 1 1.419 0.009 . 1 . . . . A 70 ALA HB1 . 34868 2 667 . 1 . 1 74 74 ALA HB2 H 1 1.419 0.009 . 1 . . . . A 70 ALA HB2 . 34868 2 668 . 1 . 1 74 74 ALA HB3 H 1 1.419 0.009 . 1 . . . . A 70 ALA HB3 . 34868 2 669 . 1 . 1 74 74 ALA CA C 13 55.581 0.042 . 1 . . . . A 70 ALA CA . 34868 2 670 . 1 . 1 74 74 ALA CB C 13 18.360 0.077 . 1 . . . . A 70 ALA CB . 34868 2 671 . 1 . 1 75 75 ARG H H 1 7.285 0.031 . 1 . . . . A 71 ARG H . 34868 2 672 . 1 . 1 75 75 ARG HA H 1 4.094 0.006 . 1 . . . . A 71 ARG HA . 34868 2 673 . 1 . 1 75 75 ARG HB2 H 1 1.956 0.010 . 2 . . . . A 71 ARG HB2 . 34868 2 674 . 1 . 1 75 75 ARG HB3 H 1 1.961 0.010 . 2 . . . . A 71 ARG HB3 . 34868 2 675 . 1 . 1 75 75 ARG HG2 H 1 1.765 0.018 . 2 . . . . A 71 ARG HG2 . 34868 2 676 . 1 . 1 75 75 ARG HG3 H 1 1.720 0.022 . 2 . . . . A 71 ARG HG3 . 34868 2 677 . 1 . 1 75 75 ARG HD2 H 1 3.259 0.006 . 1 . . . . A 71 ARG HD2 . 34868 2 678 . 1 . 1 75 75 ARG HD3 H 1 3.259 0.006 . 1 . . . . A 71 ARG HD3 . 34868 2 679 . 1 . 1 75 75 ARG CA C 13 59.082 0.043 . 1 . . . . A 71 ARG CA . 34868 2 680 . 1 . 1 75 75 ARG CB C 13 29.779 0.072 . 1 . . . . A 71 ARG CB . 34868 2 681 . 1 . 1 75 75 ARG CG C 13 27.154 0.042 . 1 . . . . A 71 ARG CG . 34868 2 682 . 1 . 1 75 75 ARG CD C 13 43.360 0.020 . 1 . . . . A 71 ARG CD . 34868 2 683 . 1 . 1 76 76 PHE HA H 1 4.146 0.012 . 1 . . . . A 72 PHE HA . 34868 2 684 . 1 . 1 76 76 PHE HB2 H 1 2.327 0.006 . 2 . . . . A 72 PHE HB2 . 34868 2 685 . 1 . 1 76 76 PHE HB3 H 1 3.070 0.008 . 2 . . . . A 72 PHE HB3 . 34868 2 686 . 1 . 1 76 76 PHE HD1 H 1 6.916 0.008 . 1 . . . . A 72 PHE HD1 . 34868 2 687 . 1 . 1 76 76 PHE HD2 H 1 6.916 0.008 . 1 . . . . A 72 PHE HD2 . 34868 2 688 . 1 . 1 76 76 PHE HE1 H 1 7.307 0.002 . 1 . . . . A 72 PHE HE1 . 34868 2 689 . 1 . 1 76 76 PHE HE2 H 1 7.307 0.002 . 1 . . . . A 72 PHE HE2 . 34868 2 690 . 1 . 1 76 76 PHE HZ H 1 7.366 0.017 . 1 . . . . A 72 PHE HZ . 34868 2 691 . 1 . 1 76 76 PHE CA C 13 60.758 0.031 . 1 . . . . A 72 PHE CA . 34868 2 692 . 1 . 1 76 76 PHE CB C 13 37.935 0.046 . 1 . . . . A 72 PHE CB . 34868 2 693 . 1 . 1 76 76 PHE CD1 C 13 131.471 0.024 . 1 . . . . A 72 PHE CD1 . 34868 2 694 . 1 . 1 76 76 PHE CD2 C 13 131.471 0.024 . 1 . . . . A 72 PHE CD2 . 34868 2 695 . 1 . 1 76 76 PHE CE1 C 13 131.277 0.004 . 1 . . . . A 72 PHE CE1 . 34868 2 696 . 1 . 1 76 76 PHE CE2 C 13 131.277 0.004 . 1 . . . . A 72 PHE CE2 . 34868 2 697 . 1 . 1 76 76 PHE CZ C 13 131.459 0.106 . 1 . . . . A 72 PHE CZ . 34868 2 698 . 1 . 1 77 77 VAL HA H 1 2.923 0.003 . 1 . . . . A 73 VAL HA . 34868 2 699 . 1 . 1 77 77 VAL HB H 1 1.851 0.009 . 1 . . . . A 73 VAL HB . 34868 2 700 . 1 . 1 77 77 VAL HG11 H 1 0.785 0.007 . 2 . . . . A 73 VAL HG11 . 34868 2 701 . 1 . 1 77 77 VAL HG12 H 1 0.785 0.007 . 2 . . . . A 73 VAL HG12 . 34868 2 702 . 1 . 1 77 77 VAL HG13 H 1 0.785 0.007 . 2 . . . . A 73 VAL HG13 . 34868 2 703 . 1 . 1 77 77 VAL HG21 H 1 0.074 0.003 . 2 . . . . A 73 VAL HG21 . 34868 2 704 . 1 . 1 77 77 VAL HG22 H 1 0.074 0.003 . 2 . . . . A 73 VAL HG22 . 34868 2 705 . 1 . 1 77 77 VAL HG23 H 1 0.074 0.003 . 2 . . . . A 73 VAL HG23 . 34868 2 706 . 1 . 1 77 77 VAL CA C 13 67.160 0.011 . 1 . . . . A 73 VAL CA . 34868 2 707 . 1 . 1 77 77 VAL CB C 13 30.788 0.016 . 1 . . . . A 73 VAL CB . 34868 2 708 . 1 . 1 77 77 VAL CG1 C 13 21.760 0.040 . 2 . . . . A 73 VAL CG1 . 34868 2 709 . 1 . 1 77 77 VAL CG2 C 13 20.205 0.018 . 2 . . . . A 73 VAL CG2 . 34868 2 710 . 1 . 1 78 78 GLU HA H 1 3.645 0.007 . 1 . . . . A 74 GLU HA . 34868 2 711 . 1 . 1 78 78 GLU HB2 H 1 2.071 0.009 . 2 . . . . A 74 GLU HB2 . 34868 2 712 . 1 . 1 78 78 GLU HB3 H 1 2.069 0.008 . 2 . . . . A 74 GLU HB3 . 34868 2 713 . 1 . 1 78 78 GLU HG2 H 1 2.214 0.009 . 2 . . . . A 74 GLU HG2 . 34868 2 714 . 1 . 1 78 78 GLU HG3 H 1 2.126 0.009 . 2 . . . . A 74 GLU HG3 . 34868 2 715 . 1 . 1 78 78 GLU CA C 13 59.861 0.072 . 1 . . . . A 74 GLU CA . 34868 2 716 . 1 . 1 78 78 GLU CB C 13 29.902 0.040 . 1 . . . . A 74 GLU CB . 34868 2 717 . 1 . 1 78 78 GLU CG C 13 36.445 0.072 . 1 . . . . A 74 GLU CG . 34868 2 718 . 1 . 1 79 79 GLN HA H 1 4.078 0.006 . 1 . . . . A 75 GLN HA . 34868 2 719 . 1 . 1 79 79 GLN HB2 H 1 2.081 0.023 . 2 . . . . A 75 GLN HB2 . 34868 2 720 . 1 . 1 79 79 GLN HB3 H 1 2.065 0.022 . 2 . . . . A 75 GLN HB3 . 34868 2 721 . 1 . 1 79 79 GLN HG2 H 1 2.521 0.003 . 2 . . . . A 75 GLN HG2 . 34868 2 722 . 1 . 1 79 79 GLN HG3 H 1 2.388 0.006 . 2 . . . . A 75 GLN HG3 . 34868 2 723 . 1 . 1 79 79 GLN CA C 13 58.140 0.068 . 1 . . . . A 75 GLN CA . 34868 2 724 . 1 . 1 79 79 GLN CB C 13 28.324 0.014 . 1 . . . . A 75 GLN CB . 34868 2 725 . 1 . 1 79 79 GLN CG C 13 34.161 0.067 . 1 . . . . A 75 GLN CG . 34868 2 726 . 1 . 1 80 80 SER HA H 1 4.105 0.007 . 1 . . . . A 76 SER HA . 34868 2 727 . 1 . 1 80 80 SER HB2 H 1 3.565 0.018 . 2 . . . . A 76 SER HB2 . 34868 2 728 . 1 . 1 80 80 SER HB3 H 1 3.613 0.030 . 2 . . . . A 76 SER HB3 . 34868 2 729 . 1 . 1 80 80 SER CA C 13 60.816 0.031 . 1 . . . . A 76 SER CA . 34868 2 730 . 1 . 1 80 80 SER CB C 13 62.996 0.018 . 1 . . . . A 76 SER CB . 34868 2 731 . 1 . 1 81 81 ARG HA H 1 4.124 0.019 . 1 . . . . A 77 ARG HA . 34868 2 732 . 1 . 1 81 81 ARG HB2 H 1 1.880 0.002 . 2 . . . . A 77 ARG HB2 . 34868 2 733 . 1 . 1 81 81 ARG HB3 H 1 1.866 0.020 . 2 . . . . A 77 ARG HB3 . 34868 2 734 . 1 . 1 81 81 ARG HG2 H 1 1.757 0.001 . 2 . . . . A 77 ARG HG2 . 34868 2 735 . 1 . 1 81 81 ARG HG3 H 1 1.678 0.003 . 2 . . . . A 77 ARG HG3 . 34868 2 736 . 1 . 1 81 81 ARG HD2 H 1 3.182 0.012 . 2 . . . . A 77 ARG HD2 . 34868 2 737 . 1 . 1 81 81 ARG HD3 H 1 3.080 0.002 . 2 . . . . A 77 ARG HD3 . 34868 2 738 . 1 . 1 81 81 ARG CA C 13 57.551 0.042 . 1 . . . . A 77 ARG CA . 34868 2 739 . 1 . 1 81 81 ARG CB C 13 30.645 0.031 . 1 . . . . A 77 ARG CB . 34868 2 740 . 1 . 1 81 81 ARG CG C 13 26.720 0.041 . 1 . . . . A 77 ARG CG . 34868 2 741 . 1 . 1 81 81 ARG CD C 13 44.141 0.028 . 1 . . . . A 77 ARG CD . 34868 2 742 . 1 . 1 82 82 ASP HA H 1 4.666 0.014 . 1 . . . . A 78 ASP HA . 34868 2 743 . 1 . 1 82 82 ASP HB2 H 1 2.718 0.033 . 2 . . . . A 78 ASP HB2 . 34868 2 744 . 1 . 1 82 82 ASP HB3 H 1 2.814 0.011 . 2 . . . . A 78 ASP HB3 . 34868 2 745 . 1 . 1 82 82 ASP CA C 13 55.140 0.086 . 1 . . . . A 78 ASP CA . 34868 2 746 . 1 . 1 82 82 ASP CB C 13 41.049 0.059 . 1 . . . . A 78 ASP CB . 34868 2 747 . 1 . 1 83 83 THR HA H 1 4.296 0.004 . 1 . . . . A 79 THR HA . 34868 2 748 . 1 . 1 83 83 THR HB H 1 4.350 0.005 . 1 . . . . A 79 THR HB . 34868 2 749 . 1 . 1 83 83 THR HG21 H 1 1.281 0.005 . 1 . . . . A 79 THR HG21 . 34868 2 750 . 1 . 1 83 83 THR HG22 H 1 1.281 0.005 . 1 . . . . A 79 THR HG22 . 34868 2 751 . 1 . 1 83 83 THR HG23 H 1 1.281 0.005 . 1 . . . . A 79 THR HG23 . 34868 2 752 . 1 . 1 83 83 THR CA C 13 62.886 0.020 . 1 . . . . A 79 THR CA . 34868 2 753 . 1 . 1 83 83 THR CB C 13 69.563 0.017 . 1 . . . . A 79 THR CB . 34868 2 754 . 1 . 1 83 83 THR CG2 C 13 21.600 0.079 . 1 . . . . A 79 THR CG2 . 34868 2 755 . 1 . 1 84 84 GLY HA2 H 1 3.991 0.000 . 1 . . . . A 80 GLY HA2 . 34868 2 756 . 1 . 1 84 84 GLY HA3 H 1 3.991 0.000 . 1 . . . . A 80 GLY HA3 . 34868 2 757 . 1 . 1 84 84 GLY CA C 13 45.555 0.004 . 1 . . . . A 80 GLY CA . 34868 2 758 . 1 . 1 85 85 ARG HA H 1 4.352 0.005 . 1 . . . . A 81 ARG HA . 34868 2 759 . 1 . 1 85 85 ARG HB2 H 1 1.825 0.025 . 2 . . . . A 81 ARG HB2 . 34868 2 760 . 1 . 1 85 85 ARG HB3 H 1 1.865 0.017 . 2 . . . . A 81 ARG HB3 . 34868 2 761 . 1 . 1 85 85 ARG HG2 H 1 1.641 0.018 . 1 . . . . A 81 ARG HG2 . 34868 2 762 . 1 . 1 85 85 ARG HG3 H 1 1.641 0.018 . 1 . . . . A 81 ARG HG3 . 34868 2 763 . 1 . 1 85 85 ARG HD2 H 1 3.219 0.013 . 2 . . . . A 81 ARG HD2 . 34868 2 764 . 1 . 1 85 85 ARG HD3 H 1 3.222 0.013 . 2 . . . . A 81 ARG HD3 . 34868 2 765 . 1 . 1 85 85 ARG CA C 13 55.966 0.037 . 1 . . . . A 81 ARG CA . 34868 2 766 . 1 . 1 85 85 ARG CB C 13 30.815 0.023 . 1 . . . . A 81 ARG CB . 34868 2 767 . 1 . 1 85 85 ARG CG C 13 27.173 0.176 . 1 . . . . A 81 ARG CG . 34868 2 768 . 1 . 1 85 85 ARG CD C 13 43.266 0.098 . 1 . . . . A 81 ARG CD . 34868 2 769 . 1 . 1 86 86 ASN HA H 1 5.000 0.009 . 1 . . . . A 82 ASN HA . 34868 2 770 . 1 . 1 86 86 ASN HB2 H 1 2.875 0.006 . 2 . . . . A 82 ASN HB2 . 34868 2 771 . 1 . 1 86 86 ASN HB3 H 1 2.760 0.001 . 2 . . . . A 82 ASN HB3 . 34868 2 772 . 1 . 1 86 86 ASN CA C 13 51.175 0.048 . 1 . . . . A 82 ASN CA . 34868 2 773 . 1 . 1 86 86 ASN CB C 13 38.868 0.030 . 1 . . . . A 82 ASN CB . 34868 2 774 . 1 . 1 87 87 PRO HA H 1 4.432 0.007 . 1 . . . . A 83 PRO HA . 34868 2 775 . 1 . 1 87 87 PRO HB2 H 1 1.996 0.002 . 2 . . . . A 83 PRO HB2 . 34868 2 776 . 1 . 1 87 87 PRO HB3 H 1 2.322 0.014 . 2 . . . . A 83 PRO HB3 . 34868 2 777 . 1 . 1 87 87 PRO HG2 H 1 2.045 0.007 . 2 . . . . A 83 PRO HG2 . 34868 2 778 . 1 . 1 87 87 PRO HG3 H 1 2.039 0.016 . 2 . . . . A 83 PRO HG3 . 34868 2 779 . 1 . 1 87 87 PRO HD2 H 1 3.807 0.024 . 2 . . . . A 83 PRO HD2 . 34868 2 780 . 1 . 1 87 87 PRO HD3 H 1 3.788 0.012 . 2 . . . . A 83 PRO HD3 . 34868 2 781 . 1 . 1 87 87 PRO CA C 13 63.706 0.030 . 1 . . . . A 83 PRO CA . 34868 2 782 . 1 . 1 87 87 PRO CB C 13 32.076 0.054 . 1 . . . . A 83 PRO CB . 34868 2 783 . 1 . 1 87 87 PRO CG C 13 27.258 0.054 . 1 . . . . A 83 PRO CG . 34868 2 784 . 1 . 1 87 87 PRO CD C 13 50.810 0.019 . 1 . . . . A 83 PRO CD . 34868 2 785 . 1 . 1 88 88 ALA HA H 1 4.323 0.000 . 1 . . . . A 84 ALA HA . 34868 2 786 . 1 . 1 88 88 ALA HB1 H 1 1.401 0.000 . 1 . . . . A 84 ALA HB1 . 34868 2 787 . 1 . 1 88 88 ALA HB2 H 1 1.401 0.000 . 1 . . . . A 84 ALA HB2 . 34868 2 788 . 1 . 1 88 88 ALA HB3 H 1 1.401 0.000 . 1 . . . . A 84 ALA HB3 . 34868 2 789 . 1 . 1 88 88 ALA CA C 13 52.377 0.000 . 1 . . . . A 84 ALA CA . 34868 2 790 . 1 . 1 88 88 ALA CB C 13 19.014 0.000 . 1 . . . . A 84 ALA CB . 34868 2 791 . 1 . 1 89 89 ALA HA H 1 4.382 0.000 . 1 . . . . A 85 ALA HA . 34868 2 792 . 1 . 1 89 89 ALA HB1 H 1 1.429 0.004 . 1 . . . . A 85 ALA HB1 . 34868 2 793 . 1 . 1 89 89 ALA HB2 H 1 1.429 0.004 . 1 . . . . A 85 ALA HB2 . 34868 2 794 . 1 . 1 89 89 ALA HB3 H 1 1.429 0.004 . 1 . . . . A 85 ALA HB3 . 34868 2 795 . 1 . 1 89 89 ALA CA C 13 52.349 0.000 . 1 . . . . A 85 ALA CA . 34868 2 796 . 1 . 1 89 89 ALA CB C 13 19.217 0.000 . 1 . . . . A 85 ALA CB . 34868 2 797 . 1 . 1 90 90 GLN HA H 1 4.447 0.010 . 1 . . . . A 86 GLN HA . 34868 2 798 . 1 . 1 90 90 GLN HB3 H 1 2.185 0.010 . 1 . . . . A 86 GLN HB3 . 34868 2 799 . 1 . 1 90 90 GLN HG2 H 1 2.410 0.002 . 2 . . . . A 86 GLN HG2 . 34868 2 800 . 1 . 1 90 90 GLN HG3 H 1 2.409 0.000 . 2 . . . . A 86 GLN HG3 . 34868 2 801 . 1 . 1 90 90 GLN CA C 13 55.690 0.078 . 1 . . . . A 86 GLN CA . 34868 2 802 . 1 . 1 90 90 GLN CB C 13 29.440 0.042 . 1 . . . . A 86 GLN CB . 34868 2 803 . 1 . 1 91 91 THR HA H 1 4.378 0.006 . 1 . . . . A 87 THR HA . 34868 2 804 . 1 . 1 91 91 THR HB H 1 4.272 0.005 . 1 . . . . A 87 THR HB . 34868 2 805 . 1 . 1 91 91 THR HG21 H 1 1.218 0.000 . 1 . . . . A 87 THR HG21 . 34868 2 806 . 1 . 1 91 91 THR HG22 H 1 1.218 0.000 . 1 . . . . A 87 THR HG22 . 34868 2 807 . 1 . 1 91 91 THR HG23 H 1 1.218 0.000 . 1 . . . . A 87 THR HG23 . 34868 2 808 . 1 . 1 91 91 THR CA C 13 61.767 0.015 . 1 . . . . A 87 THR CA . 34868 2 809 . 1 . 1 91 91 THR CB C 13 69.874 0.024 . 1 . . . . A 87 THR CB . 34868 2 810 . 1 . 1 91 91 THR CG2 C 13 21.441 0.000 . 1 . . . . A 87 THR CG2 . 34868 2 811 . 1 . 1 92 92 GLN HA H 1 4.211 0.001 . 1 . . . . A 88 GLN HA . 34868 2 812 . 1 . 1 92 92 GLN HB2 H 1 2.149 0.003 . 2 . . . . A 88 GLN HB2 . 34868 2 813 . 1 . 1 92 92 GLN HB3 H 1 1.949 0.000 . 2 . . . . A 88 GLN HB3 . 34868 2 814 . 1 . 1 92 92 GLN HG2 H 1 2.322 0.001 . 2 . . . . A 88 GLN HG2 . 34868 2 815 . 1 . 1 92 92 GLN HG3 H 1 2.321 0.000 . 2 . . . . A 88 GLN HG3 . 34868 2 816 . 1 . 1 92 92 GLN CA C 13 57.407 0.000 . 1 . . . . A 88 GLN CA . 34868 2 817 . 1 . 1 92 92 GLN CB C 13 30.335 0.085 . 1 . . . . A 88 GLN CB . 34868 2 818 . 1 . 1 92 92 GLN CG C 13 34.201 0.000 . 1 . . . . A 88 GLN CG . 34868 2 stop_ save_