data_34869 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34869 _Entry.Title ; Solution NMR structure of the peptidyl carrier domain TomAPCP from the Tomaymycin non-ribosomal peptide synthetase in its substrate-loaded state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-09 _Entry.Accession_date 2023-10-09 _Entry.Last_release_date 2024-04-02 _Entry.Original_release_date 2024-04-02 _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. . . 34869 2 J. Kirkpatrick J. P. . . 34869 3 T. Carlomagno T. . . . 34869 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BIOSYNTHETIC PROTEIN' . 34869 Donor . 34869 NRPS . 34869 'Non-ribosomal peptide synthetase' . 34869 PCP . 34869 'Peptidyl carrier protein' . 34869 Tomaymycin . 34869 loaded . 34869 phosphopantetheine . 34869 substrate-loaded . 34869 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 34869 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 603 34869 '15N chemical shifts' 86 34869 '1H chemical shifts' 1121 34869 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 . 34869 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8QRX 'BMRB Entry Tracking System' 34869 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34869 _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. . . 34869 1 2 J. Kirkpatrick J. P. . . 34869 1 3 J. Krausze J. . . . 34869 1 4 S. Schmelz S. . . . 34869 1 5 T. Carlomagno T. . . . 34869 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34869 _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 . . . . . . 34869 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34869 _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 10483.499 _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 SPA is designated for the serine residue covalently linked to a 4'-phosphopantetheine-anthranilate 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 . 34869 1 2 -2 PRO . 34869 1 3 -1 MET . 34869 1 4 0 ALA . 34869 1 5 1 THR . 34869 1 6 2 ALA . 34869 1 7 3 VAL . 34869 1 8 4 GLN . 34869 1 9 5 ASN . 34869 1 10 6 PRO . 34869 1 11 7 LEU . 34869 1 12 8 GLU . 34869 1 13 9 THR . 34869 1 14 10 VAL . 34869 1 15 11 VAL . 34869 1 16 12 LEU . 34869 1 17 13 GLN . 34869 1 18 14 ALA . 34869 1 19 15 TRP . 34869 1 20 16 LYS . 34869 1 21 17 ASP . 34869 1 22 18 ILE . 34869 1 23 19 SER . 34869 1 24 20 GLY . 34869 1 25 21 ALA . 34869 1 26 22 ASP . 34869 1 27 23 ASP . 34869 1 28 24 PHE . 34869 1 29 25 THR . 34869 1 30 26 THR . 34869 1 31 27 THR . 34869 1 32 28 ASP . 34869 1 33 29 SER . 34869 1 34 30 PHE . 34869 1 35 31 LEU . 34869 1 36 32 GLY . 34869 1 37 33 HIS . 34869 1 38 34 GLY . 34869 1 39 35 GLY . 34869 1 40 36 ASN . 34869 1 41 37 WP9 . 34869 1 42 38 LEU . 34869 1 43 39 HIS . 34869 1 44 40 PHE . 34869 1 45 41 VAL . 34869 1 46 42 GLN . 34869 1 47 43 LEU . 34869 1 48 44 ALA . 34869 1 49 45 SER . 34869 1 50 46 ARG . 34869 1 51 47 LEU . 34869 1 52 48 GLN . 34869 1 53 49 LYS . 34869 1 54 50 ILE . 34869 1 55 51 PHE . 34869 1 56 52 GLY . 34869 1 57 53 VAL . 34869 1 58 54 GLU . 34869 1 59 55 VAL . 34869 1 60 56 SER . 34869 1 61 57 THR . 34869 1 62 58 GLU . 34869 1 63 59 ASP . 34869 1 64 60 VAL . 34869 1 65 61 PHE . 34869 1 66 62 ARG . 34869 1 67 63 HIS . 34869 1 68 64 GLY . 34869 1 69 65 THR . 34869 1 70 66 VAL . 34869 1 71 67 GLU . 34869 1 72 68 GLN . 34869 1 73 69 LEU . 34869 1 74 70 ALA . 34869 1 75 71 ARG . 34869 1 76 72 PHE . 34869 1 77 73 VAL . 34869 1 78 74 GLU . 34869 1 79 75 GLN . 34869 1 80 76 SER . 34869 1 81 77 ARG . 34869 1 82 78 ASP . 34869 1 83 79 THR . 34869 1 84 80 GLY . 34869 1 85 81 ARG . 34869 1 86 82 ASN . 34869 1 87 83 PRO . 34869 1 88 84 ALA . 34869 1 89 85 ALA . 34869 1 90 86 GLN . 34869 1 91 87 THR . 34869 1 92 88 GLN . 34869 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 34869 1 . PRO 2 2 34869 1 . MET 3 3 34869 1 . ALA 4 4 34869 1 . THR 5 5 34869 1 . ALA 6 6 34869 1 . VAL 7 7 34869 1 . GLN 8 8 34869 1 . ASN 9 9 34869 1 . PRO 10 10 34869 1 . LEU 11 11 34869 1 . GLU 12 12 34869 1 . THR 13 13 34869 1 . VAL 14 14 34869 1 . VAL 15 15 34869 1 . LEU 16 16 34869 1 . GLN 17 17 34869 1 . ALA 18 18 34869 1 . TRP 19 19 34869 1 . LYS 20 20 34869 1 . ASP 21 21 34869 1 . ILE 22 22 34869 1 . SER 23 23 34869 1 . GLY 24 24 34869 1 . ALA 25 25 34869 1 . ASP 26 26 34869 1 . ASP 27 27 34869 1 . PHE 28 28 34869 1 . THR 29 29 34869 1 . THR 30 30 34869 1 . THR 31 31 34869 1 . ASP 32 32 34869 1 . SER 33 33 34869 1 . PHE 34 34 34869 1 . LEU 35 35 34869 1 . GLY 36 36 34869 1 . HIS 37 37 34869 1 . GLY 38 38 34869 1 . GLY 39 39 34869 1 . ASN 40 40 34869 1 . WP9 41 41 34869 1 . LEU 42 42 34869 1 . HIS 43 43 34869 1 . PHE 44 44 34869 1 . VAL 45 45 34869 1 . GLN 46 46 34869 1 . LEU 47 47 34869 1 . ALA 48 48 34869 1 . SER 49 49 34869 1 . ARG 50 50 34869 1 . LEU 51 51 34869 1 . GLN 52 52 34869 1 . LYS 53 53 34869 1 . ILE 54 54 34869 1 . PHE 55 55 34869 1 . GLY 56 56 34869 1 . VAL 57 57 34869 1 . GLU 58 58 34869 1 . VAL 59 59 34869 1 . SER 60 60 34869 1 . THR 61 61 34869 1 . GLU 62 62 34869 1 . ASP 63 63 34869 1 . VAL 64 64 34869 1 . PHE 65 65 34869 1 . ARG 66 66 34869 1 . HIS 67 67 34869 1 . GLY 68 68 34869 1 . THR 69 69 34869 1 . VAL 70 70 34869 1 . GLU 71 71 34869 1 . GLN 72 72 34869 1 . LEU 73 73 34869 1 . ALA 74 74 34869 1 . ARG 75 75 34869 1 . PHE 76 76 34869 1 . VAL 77 77 34869 1 . GLU 78 78 34869 1 . GLN 79 79 34869 1 . SER 80 80 34869 1 . ARG 81 81 34869 1 . ASP 82 82 34869 1 . THR 83 83 34869 1 . GLY 84 84 34869 1 . ARG 85 85 34869 1 . ASN 86 86 34869 1 . PRO 87 87 34869 1 . ALA 88 88 34869 1 . ALA 89 89 34869 1 . GLN 90 90 34869 1 . THR 91 91 34869 1 . GLN 92 92 34869 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 34869 _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 . 34869 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 34869 _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' . . 562 Escherichia coli . . . . . . . . . . 34869 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_WP9 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_WP9 _Chem_comp.Entry_ID 34869 _Chem_comp.ID WP9 _Chem_comp.Provenance . _Chem_comp.Name ; ~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate ; _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code WP9 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 . _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 . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C21 H33 N4 O9 P S' _Chem_comp.Formula_weight 548.547 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N . . . . . no . . . . . . . . . . . . . . 350 . 34869 WP9 CA . CA . . C . . S . . . . . no . . . . . . . . . . . . . . 351 . 34869 WP9 C . C . . C . . N . . . . . no . . . . . . . . . . . . . . 352 . 34869 WP9 O . O . . O . . N . . . . . no . . . . . . . . . . . . . . 353 . 34869 WP9 CB . CB . . C . . N . . . . . no . . . . . . . . . . . . . . 354 . 34869 WP9 OG . OG . . O . . N . . . . . no . . . . . . . . . . . . . . 355 . 34869 WP9 P24 . P24 . . P . . N . . . . . no . . . . . . . . . . . . . . 356 . 34869 WP9 C11 . C11 . . C . . N . . . . . no . . . . . . . . . . . . . . 357 . 34869 WP9 O11 . O11 . . O . . N . . . . . no . . . . . . . . . . . . . . 358 . 34869 WP9 C12 . C12 . . C . . N . . . . . yes . . . . . . . . . . . . . . 359 . 34869 WP9 C13 . C13 . . C . . N . . . . . yes . . . . . . . . . . . . . . 360 . 34869 WP9 N13 . N13 . . N . . N . . . . . no . . . . . . . . . . . . . . 361 . 34869 WP9 C14 . C14 . . C . . N . . . . . yes . . . . . . . . . . . . . . 362 . 34869 WP9 C15 . C15 . . C . . N . . . . . yes . . . . . . . . . . . . . . 363 . 34869 WP9 C16 . C16 . . C . . N . . . . . yes . . . . . . . . . . . . . . 364 . 34869 WP9 C17 . C17 . . C . . N . . . . . yes . . . . . . . . . . . . . . 365 . 34869 WP9 O23 . O23 . . O . . N . . . . . no . . . . . . . . . . . . . . 366 . 34869 WP9 O26 . O26 . . O . . N . . . . . no . . . . . . . . . . . . . . 367 . 34869 WP9 O27 . O27 . . O . . N . . . . . no . . . . . . . . . . . . . . 368 . 34869 WP9 C28 . C28 . . C . . N . . . . . no . . . . . . . . . . . . . . 369 . 34869 WP9 C29 . C29 . . C . . N . . . . . no . . . . . . . . . . . . . . 370 . 34869 WP9 C30 . C30 . . C . . N . . . . . no . . . . . . . . . . . . . . 371 . 34869 WP9 C31 . C31 . . C . . N . . . . . no . . . . . . . . . . . . . . 372 . 34869 WP9 C32 . C32 . . C . . R . . . . . no . . . . . . . . . . . . . . 373 . 34869 WP9 O33 . O33 . . O . . N . . . . . no . . . . . . . . . . . . . . 374 . 34869 WP9 C34 . C34 . . C . . N . . . . . no . . . . . . . . . . . . . . 375 . 34869 WP9 O35 . O35 . . O . . N . . . . . no . . . . . . . . . . . . . . 376 . 34869 WP9 N36 . N36 . . N . . N . . . . . no . . . . . . . . . . . . . . 377 . 34869 WP9 C37 . C37 . . C . . N . . . . . no . . . . . . . . . . . . . . 378 . 34869 WP9 C38 . C38 . . C . . N . . . . . no . . . . . . . . . . . . . . 379 . 34869 WP9 C39 . C39 . . C . . N . . . . . no . . . . . . . . . . . . . . 380 . 34869 WP9 O40 . O40 . . O . . N . . . . . no . . . . . . . . . . . . . . 381 . 34869 WP9 N41 . N41 . . N . . N . . . . . no . . . . . . . . . . . . . . 382 . 34869 WP9 C42 . C42 . . C . . N . . . . . no . . . . . . . . . . . . . . 383 . 34869 WP9 C43 . C43 . . C . . N . . . . . no . . . . . . . . . . . . . . 384 . 34869 WP9 S44 . S44 . . S . . N . . . . . no . . . . . . . . . . . . . . 385 . 34869 WP9 HN . HN . . H . . N . . . . . no . . . . . . . . . . . . . . 386 . 34869 WP9 H1 . H1 . . H . . N . . . . . no . . . . . . . . . . . . . . 387 . 34869 WP9 HA . HA . . H . . N . . . . . no . . . . . . . . . . . . . . 388 . 34869 WP9 H3 . H3 . . H . . N . . . . . no . . . . . . . . . . . . . . 389 . 34869 WP9 HB1 . HB1 . . H . . N . . . . . no . . . . . . . . . . . . . . 390 . 34869 WP9 HB2 . HB2 . . H . . N . . . . . no . . . . . . . . . . . . . . 391 . 34869 WP9 H131 . H131 . . H . . N . . . . . no . . . . . . . . . . . . . . 392 . 34869 WP9 H132 . H132 . . H . . N . . . . . no . . . . . . . . . . . . . . 393 . 34869 WP9 H14 . H14 . . H . . N . . . . . no . . . . . . . . . . . . . . 394 . 34869 WP9 H15 . H15 . . H . . N . . . . . no . . . . . . . . . . . . . . 395 . 34869 WP9 H16 . H16 . . H . . N . . . . . no . . . . . . . . . . . . . . 396 . 34869 WP9 H17 . H17 . . H . . N . . . . . no . . . . . . . . . . . . . . 397 . 34869 WP9 H4 . H4 . . H . . N . . . . . no . . . . . . . . . . . . . . 398 . 34869 WP9 H281 . H281 . . H . . N . . . . . no . . . . . . . . . . . . . . 399 . 34869 WP9 H282 . H282 . . H . . N . . . . . no . . . . . . . . . . . . . . 400 . 34869 WP9 H302 . H302 . . H . . N . . . . . no . . . . . . . . . . . . . . 401 . 34869 WP9 H303 . H303 . . H . . N . . . . . no . . . . . . . . . . . . . . 402 . 34869 WP9 H301 . H301 . . H . . N . . . . . no . . . . . . . . . . . . . . 403 . 34869 WP9 H312 . H312 . . H . . N . . . . . no . . . . . . . . . . . . . . 404 . 34869 WP9 H313 . H313 . . H . . N . . . . . no . . . . . . . . . . . . . . 405 . 34869 WP9 H311 . H311 . . H . . N . . . . . no . . . . . . . . . . . . . . 406 . 34869 WP9 H32 . H32 . . H . . N . . . . . no . . . . . . . . . . . . . . 407 . 34869 WP9 H33 . H33 . . H . . N . . . . . no . . . . . . . . . . . . . . 408 . 34869 WP9 H36 . H36 . . H . . N . . . . . no . . . . . . . . . . . . . . 409 . 34869 WP9 H371 . H371 . . H . . N . . . . . no . . . . . . . . . . . . . . 410 . 34869 WP9 H372 . H372 . . H . . N . . . . . no . . . . . . . . . . . . . . 411 . 34869 WP9 H381 . H381 . . H . . N . . . . . no . . . . . . . . . . . . . . 412 . 34869 WP9 H382 . H382 . . H . . N . . . . . no . . . . . . . . . . . . . . 413 . 34869 WP9 H41 . H41 . . H . . N . . . . . no . . . . . . . . . . . . . . 414 . 34869 WP9 H422 . H422 . . H . . N . . . . . no . . . . . . . . . . . . . . 415 . 34869 WP9 H421 . H421 . . H . . N . . . . . no . . . . . . . . . . . . . . 416 . 34869 WP9 H431 . H431 . . H . . N . . . . . no . . . . . . . . . . . . . . 417 . 34869 WP9 H432 . H432 . . H . . N . . . . . no . . . . . . . . . . . . . . 418 . 34869 WP9 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 . DOUB C17 C15 yes N 337 . 34869 WP9 2 . SING C17 C16 yes N 338 . 34869 WP9 3 . SING C15 C13 yes N 339 . 34869 WP9 4 . DOUB C16 C14 yes N 340 . 34869 WP9 5 . SING C13 N13 no N 341 . 34869 WP9 6 . DOUB C13 C12 yes N 342 . 34869 WP9 7 . SING C14 C12 yes N 343 . 34869 WP9 8 . SING C12 C11 no N 344 . 34869 WP9 9 . DOUB O11 C11 no N 345 . 34869 WP9 10 . SING C11 S44 no N 346 . 34869 WP9 11 . SING O33 C32 no N 347 . 34869 WP9 12 . SING C32 C34 no N 348 . 34869 WP9 13 . SING C32 C29 no N 349 . 34869 WP9 14 . SING S44 C43 no N 350 . 34869 WP9 15 . SING C43 C42 no N 351 . 34869 WP9 16 . SING C31 C29 no N 352 . 34869 WP9 17 . SING C34 N36 no N 353 . 34869 WP9 18 . DOUB C34 O35 no N 354 . 34869 WP9 19 . SING N36 C37 no N 355 . 34869 WP9 20 . DOUB O23 P24 no N 356 . 34869 WP9 21 . SING CB CA no N 357 . 34869 WP9 22 . SING CB OG no N 358 . 34869 WP9 23 . SING C29 C28 no N 359 . 34869 WP9 24 . SING C29 C30 no N 360 . 34869 WP9 25 . SING O27 P24 no N 361 . 34869 WP9 26 . SING O27 C28 no N 362 . 34869 WP9 27 . SING C37 C38 no N 363 . 34869 WP9 28 . SING CA N no N 364 . 34869 WP9 29 . SING CA C no N 365 . 34869 WP9 30 . SING C42 N41 no N 366 . 34869 WP9 31 . SING P24 OG no N 367 . 34869 WP9 32 . SING P24 O26 no N 368 . 34869 WP9 33 . SING N41 C39 no N 369 . 34869 WP9 34 . DOUB O40 C39 no N 370 . 34869 WP9 35 . SING C39 C38 no N 371 . 34869 WP9 36 . DOUB C O no N 372 . 34869 WP9 37 . SING N HN no N 373 . 34869 WP9 38 . SING N H1 no N 374 . 34869 WP9 39 . SING CA HA no N 375 . 34869 WP9 40 . SING C H3 no N 376 . 34869 WP9 41 . SING CB HB1 no N 377 . 34869 WP9 42 . SING CB HB2 no N 378 . 34869 WP9 43 . SING N13 H131 no N 379 . 34869 WP9 44 . SING N13 H132 no N 380 . 34869 WP9 45 . SING C14 H14 no N 381 . 34869 WP9 46 . SING C15 H15 no N 382 . 34869 WP9 47 . SING C16 H16 no N 383 . 34869 WP9 48 . SING C17 H17 no N 384 . 34869 WP9 49 . SING O26 H4 no N 385 . 34869 WP9 50 . SING C28 H281 no N 386 . 34869 WP9 51 . SING C28 H282 no N 387 . 34869 WP9 52 . SING C30 H302 no N 388 . 34869 WP9 53 . SING C30 H303 no N 389 . 34869 WP9 54 . SING C30 H301 no N 390 . 34869 WP9 55 . SING C31 H312 no N 391 . 34869 WP9 56 . SING C31 H313 no N 392 . 34869 WP9 57 . SING C31 H311 no N 393 . 34869 WP9 58 . SING C32 H32 no N 394 . 34869 WP9 59 . SING O33 H33 no N 395 . 34869 WP9 60 . SING N36 H36 no N 396 . 34869 WP9 61 . SING C37 H371 no N 397 . 34869 WP9 62 . SING C37 H372 no N 398 . 34869 WP9 63 . SING C38 H381 no N 399 . 34869 WP9 64 . SING C38 H382 no N 400 . 34869 WP9 65 . SING N41 H41 no N 401 . 34869 WP9 66 . SING C42 H422 no N 402 . 34869 WP9 67 . SING C42 H421 no N 403 . 34869 WP9 68 . SING C43 H431 no N 404 . 34869 WP9 69 . SING C43 H432 no N 405 . 34869 WP9 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34869 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 350 uM [U-13C; U-15N] TomAPCP substrate-loaded, 50 mM sodium phosphate, 150 mM sodium chloride, 0.02 w/v sodium azide, 10 v/v [U-2H] D2O, 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 'TomAPCP substrate-loaded' '[U-13C; U-15N]' . . 1 $entity_1 . . 350 . . uM 15 . . . 34869 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34869 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 34869 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v 0.002 . . . 34869 1 5 D2O [U-2H] . . . . . . 10 . . v/v 0.5 . . . 34869 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34869 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-13C; U-15N] TomAPCP substrate-loaded, 50 mM sodium phosphate, 150 mM sodium chloride, 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 'TomAPCP substrate-loaded' '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM 15 . . . 34869 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34869 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 34869 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' 0.002 . . . 34869 2 5 D2O [U-2H] . . . . . . 100 . . v/v 0.5 . . . 34869 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34869 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 100 uM [U-13C; U-15N] TomAPCP substrate-loaded, 50 mM sodium phosphate, 150 mM sodium chloride, 0.02 w/v sodium azide, 10 v/v [U-2H] D2O, 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 'TomAPCP substrate-loaded' '[U-13C; U-15N]' . . 1 $entity_1 . . 100 . . uM 10 . . . 34869 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34869 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 34869 3 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v 0.002 . . . 34869 3 5 D2O [U-2H] . . . . . . 10 . . v/v 0.5 . . . 34869 3 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 34869 _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 34869 1 pH 7.0 . pH 34869 1 pressure 1 . atm 34869 1 temperature 298 . K 34869 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34869 _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' . . 34869 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34869 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34869 _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' . . 34869 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34869 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34869 _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 . . 34869 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34869 3 'data analysis' . 34869 3 'peak picking' . 34869 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34869 _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" . . 34869 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34869 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34869 _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' . . 34869 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34869 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 34869 _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 34869 _NMR_spectrometer.ID 2 _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 34869 _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 . . . 34869 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 850 . . . 34869 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 34869 _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 . . . . . . . . . . . . . . . . . 34869 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34869 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34869 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34869 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34869 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 34869 _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 . . . . . 34869 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . 34869 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 34869 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 34869 _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' . . . 34869 1 2 '2D 1H-13C HSQC' . . . 34869 1 3 '2D 1H-13C HSQC' . . . 34869 1 4 '3D 1H-15N NOESY' . . . 34869 1 5 '3D 1H-13C NOESY' . . . 34869 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 4.458 0.000 . 1 . . . . A -1 MET HA . 34869 1 2 . 1 . 1 3 3 MET HB2 H 1 2.078 0.000 . 2 . . . . A -1 MET HB2 . 34869 1 3 . 1 . 1 3 3 MET HB3 H 1 2.023 0.000 . 2 . . . . A -1 MET HB3 . 34869 1 4 . 1 . 1 3 3 MET HG2 H 1 2.631 0.000 . 2 . . . . A -1 MET HG2 . 34869 1 5 . 1 . 1 3 3 MET HG3 H 1 2.574 0.000 . 2 . . . . A -1 MET HG3 . 34869 1 6 . 1 . 1 3 3 MET HE1 H 1 2.109 0.000 . 1 . . . . A -1 MET HE1 . 34869 1 7 . 1 . 1 3 3 MET HE2 H 1 2.109 0.000 . 1 . . . . A -1 MET HE2 . 34869 1 8 . 1 . 1 3 3 MET HE3 H 1 2.109 0.000 . 1 . . . . A -1 MET HE3 . 34869 1 9 . 1 . 1 3 3 MET CA C 13 55.489 0.000 . 1 . . . . A -1 MET CA . 34869 1 10 . 1 . 1 3 3 MET CB C 13 32.999 0.018 . 1 . . . . A -1 MET CB . 34869 1 11 . 1 . 1 3 3 MET CG C 13 32.020 0.005 . 1 . . . . A -1 MET CG . 34869 1 12 . 1 . 1 3 3 MET CE C 13 16.967 0.000 . 1 . . . . A -1 MET CE . 34869 1 13 . 1 . 1 4 4 ALA H H 1 8.397 0.002 . 1 . . . . A 0 ALA H . 34869 1 14 . 1 . 1 4 4 ALA HA H 1 4.369 0.000 . 1 . . . . A 0 ALA HA . 34869 1 15 . 1 . 1 4 4 ALA HB1 H 1 1.405 0.017 . 1 . . . . A 0 ALA HB1 . 34869 1 16 . 1 . 1 4 4 ALA HB2 H 1 1.405 0.017 . 1 . . . . A 0 ALA HB2 . 34869 1 17 . 1 . 1 4 4 ALA HB3 H 1 1.405 0.017 . 1 . . . . A 0 ALA HB3 . 34869 1 18 . 1 . 1 4 4 ALA CA C 13 52.677 0.000 . 1 . . . . A 0 ALA CA . 34869 1 19 . 1 . 1 4 4 ALA CB C 13 19.414 0.000 . 1 . . . . A 0 ALA CB . 34869 1 20 . 1 . 1 4 4 ALA N N 15 125.763 0.067 . 1 . . . . A 0 ALA N . 34869 1 21 . 1 . 1 5 5 THR H H 1 8.066 0.002 . 1 . . . . A 1 THR H . 34869 1 22 . 1 . 1 5 5 THR HA H 1 4.285 0.002 . 1 . . . . A 1 THR HA . 34869 1 23 . 1 . 1 5 5 THR HB H 1 4.201 0.000 . 1 . . . . A 1 THR HB . 34869 1 24 . 1 . 1 5 5 THR HG21 H 1 1.209 0.000 . 1 . . . . A 1 THR HG21 . 34869 1 25 . 1 . 1 5 5 THR HG22 H 1 1.209 0.000 . 1 . . . . A 1 THR HG22 . 34869 1 26 . 1 . 1 5 5 THR HG23 H 1 1.209 0.000 . 1 . . . . A 1 THR HG23 . 34869 1 27 . 1 . 1 5 5 THR CA C 13 61.707 0.000 . 1 . . . . A 1 THR CA . 34869 1 28 . 1 . 1 5 5 THR CB C 13 69.849 0.000 . 1 . . . . A 1 THR CB . 34869 1 29 . 1 . 1 5 5 THR CG2 C 13 21.741 0.000 . 1 . . . . A 1 THR CG2 . 34869 1 30 . 1 . 1 5 5 THR N N 15 113.628 0.109 . 1 . . . . A 1 THR N . 34869 1 31 . 1 . 1 6 6 ALA H H 1 8.240 0.015 . 1 . . . . A 2 ALA H . 34869 1 32 . 1 . 1 6 6 ALA HA H 1 4.355 0.001 . 1 . . . . A 2 ALA HA . 34869 1 33 . 1 . 1 6 6 ALA HB1 H 1 1.376 0.004 . 1 . . . . A 2 ALA HB1 . 34869 1 34 . 1 . 1 6 6 ALA HB2 H 1 1.376 0.004 . 1 . . . . A 2 ALA HB2 . 34869 1 35 . 1 . 1 6 6 ALA HB3 H 1 1.376 0.004 . 1 . . . . A 2 ALA HB3 . 34869 1 36 . 1 . 1 6 6 ALA CA C 13 52.398 0.000 . 1 . . . . A 2 ALA CA . 34869 1 37 . 1 . 1 6 6 ALA CB C 13 19.488 0.000 . 1 . . . . A 2 ALA CB . 34869 1 38 . 1 . 1 6 6 ALA N N 15 126.524 0.053 . 1 . . . . A 2 ALA N . 34869 1 39 . 1 . 1 7 7 VAL H H 1 8.095 0.003 . 1 . . . . A 3 VAL H . 34869 1 40 . 1 . 1 7 7 VAL HA H 1 4.088 0.003 . 1 . . . . A 3 VAL HA . 34869 1 41 . 1 . 1 7 7 VAL HB H 1 2.058 0.008 . 1 . . . . A 3 VAL HB . 34869 1 42 . 1 . 1 7 7 VAL HG11 H 1 0.926 0.003 . 2 . . . . A 3 VAL HG11 . 34869 1 43 . 1 . 1 7 7 VAL HG12 H 1 0.926 0.003 . 2 . . . . A 3 VAL HG12 . 34869 1 44 . 1 . 1 7 7 VAL HG13 H 1 0.926 0.003 . 2 . . . . A 3 VAL HG13 . 34869 1 45 . 1 . 1 7 7 VAL HG21 H 1 0.925 0.000 . 2 . . . . A 3 VAL HG21 . 34869 1 46 . 1 . 1 7 7 VAL HG22 H 1 0.925 0.000 . 2 . . . . A 3 VAL HG22 . 34869 1 47 . 1 . 1 7 7 VAL HG23 H 1 0.925 0.000 . 2 . . . . A 3 VAL HG23 . 34869 1 48 . 1 . 1 7 7 VAL CA C 13 62.109 0.000 . 1 . . . . A 3 VAL CA . 34869 1 49 . 1 . 1 7 7 VAL CB C 13 32.940 0.000 . 1 . . . . A 3 VAL CB . 34869 1 50 . 1 . 1 7 7 VAL CG1 C 13 20.575 0.000 . 2 . . . . A 3 VAL CG1 . 34869 1 51 . 1 . 1 7 7 VAL CG2 C 13 21.249 0.000 . 2 . . . . A 3 VAL CG2 . 34869 1 52 . 1 . 1 7 7 VAL N N 15 119.602 0.078 . 1 . . . . A 3 VAL N . 34869 1 53 . 1 . 1 8 8 GLN H H 1 8.420 0.009 . 1 . . . . A 4 GLN H . 34869 1 54 . 1 . 1 8 8 GLN HA H 1 4.290 0.006 . 1 . . . . A 4 GLN HA . 34869 1 55 . 1 . 1 8 8 GLN HB2 H 1 1.965 0.004 . 2 . . . . A 4 GLN HB2 . 34869 1 56 . 1 . 1 8 8 GLN HB3 H 1 1.985 0.021 . 2 . . . . A 4 GLN HB3 . 34869 1 57 . 1 . 1 8 8 GLN HG2 H 1 2.318 0.009 . 1 . . . . A 4 GLN HG2 . 34869 1 58 . 1 . 1 8 8 GLN HG3 H 1 2.318 0.009 . 1 . . . . A 4 GLN HG3 . 34869 1 59 . 1 . 1 8 8 GLN CA C 13 55.763 0.000 . 1 . . . . A 4 GLN CA . 34869 1 60 . 1 . 1 8 8 GLN CB C 13 29.882 0.002 . 1 . . . . A 4 GLN CB . 34869 1 61 . 1 . 1 8 8 GLN CG C 13 34.009 0.000 . 1 . . . . A 4 GLN CG . 34869 1 62 . 1 . 1 8 8 GLN N N 15 124.520 0.043 . 1 . . . . A 4 GLN N . 34869 1 63 . 1 . 1 9 9 ASN H H 1 8.733 0.002 . 1 . . . . A 5 ASN H . 34869 1 64 . 1 . 1 9 9 ASN HA H 1 4.972 0.000 . 1 . . . . A 5 ASN HA . 34869 1 65 . 1 . 1 9 9 ASN HB2 H 1 2.857 0.001 . 2 . . . . A 5 ASN HB2 . 34869 1 66 . 1 . 1 9 9 ASN HB3 H 1 2.723 0.000 . 2 . . . . A 5 ASN HB3 . 34869 1 67 . 1 . 1 9 9 ASN CA C 13 51.132 0.000 . 1 . . . . A 5 ASN CA . 34869 1 68 . 1 . 1 9 9 ASN CB C 13 38.934 0.009 . 1 . . . . A 5 ASN CB . 34869 1 69 . 1 . 1 9 9 ASN N N 15 122.792 0.047 . 1 . . . . A 5 ASN N . 34869 1 70 . 1 . 1 10 10 PRO HA H 1 4.470 0.000 . 1 . . . . A 6 PRO HA . 34869 1 71 . 1 . 1 10 10 PRO HB2 H 1 2.307 0.000 . 2 . . . . A 6 PRO HB2 . 34869 1 72 . 1 . 1 10 10 PRO HB3 H 1 1.948 0.000 . 2 . . . . A 6 PRO HB3 . 34869 1 73 . 1 . 1 10 10 PRO HG2 H 1 2.013 0.000 . 1 . . . . A 6 PRO HG2 . 34869 1 74 . 1 . 1 10 10 PRO HG3 H 1 2.013 0.000 . 1 . . . . A 6 PRO HG3 . 34869 1 75 . 1 . 1 10 10 PRO HD2 H 1 3.563 0.000 . 2 . . . . A 6 PRO HD2 . 34869 1 76 . 1 . 1 10 10 PRO HD3 H 1 3.585 0.000 . 2 . . . . A 6 PRO HD3 . 34869 1 77 . 1 . 1 10 10 PRO CA C 13 63.095 0.000 . 1 . . . . A 6 PRO CA . 34869 1 78 . 1 . 1 10 10 PRO CB C 13 32.239 0.033 . 1 . . . . A 6 PRO CB . 34869 1 79 . 1 . 1 10 10 PRO CG C 13 26.988 0.000 . 1 . . . . A 6 PRO CG . 34869 1 80 . 1 . 1 10 10 PRO CD C 13 49.658 0.000 . 1 . . . . A 6 PRO CD . 34869 1 81 . 1 . 1 11 11 LEU H H 1 8.538 0.000 . 1 . . . . A 7 LEU H . 34869 1 82 . 1 . 1 11 11 LEU HA H 1 4.178 0.011 . 1 . . . . A 7 LEU HA . 34869 1 83 . 1 . 1 11 11 LEU HB2 H 1 1.800 0.004 . 2 . . . . A 7 LEU HB2 . 34869 1 84 . 1 . 1 11 11 LEU HB3 H 1 1.428 0.001 . 2 . . . . A 7 LEU HB3 . 34869 1 85 . 1 . 1 11 11 LEU HG H 1 1.677 0.004 . 1 . . . . A 7 LEU HG . 34869 1 86 . 1 . 1 11 11 LEU HD11 H 1 0.676 0.000 . 2 . . . . A 7 LEU HD11 . 34869 1 87 . 1 . 1 11 11 LEU HD12 H 1 0.676 0.000 . 2 . . . . A 7 LEU HD12 . 34869 1 88 . 1 . 1 11 11 LEU HD13 H 1 0.676 0.000 . 2 . . . . A 7 LEU HD13 . 34869 1 89 . 1 . 1 11 11 LEU HD21 H 1 0.726 0.000 . 2 . . . . A 7 LEU HD21 . 34869 1 90 . 1 . 1 11 11 LEU HD22 H 1 0.726 0.000 . 2 . . . . A 7 LEU HD22 . 34869 1 91 . 1 . 1 11 11 LEU HD23 H 1 0.726 0.000 . 2 . . . . A 7 LEU HD23 . 34869 1 92 . 1 . 1 11 11 LEU CA C 13 58.728 0.000 . 1 . . . . A 7 LEU CA . 34869 1 93 . 1 . 1 11 11 LEU CB C 13 41.678 0.024 . 1 . . . . A 7 LEU CB . 34869 1 94 . 1 . 1 11 11 LEU CG C 13 28.797 0.000 . 1 . . . . A 7 LEU CG . 34869 1 95 . 1 . 1 11 11 LEU CD1 C 13 24.431 0.000 . 2 . . . . A 7 LEU CD1 . 34869 1 96 . 1 . 1 11 11 LEU CD2 C 13 25.363 0.000 . 2 . . . . A 7 LEU CD2 . 34869 1 97 . 1 . 1 11 11 LEU N N 15 120.815 0.000 . 1 . . . . A 7 LEU N . 34869 1 98 . 1 . 1 12 12 GLU H H 1 8.092 0.004 . 1 . . . . A 8 GLU H . 34869 1 99 . 1 . 1 12 12 GLU HA H 1 3.604 0.006 . 1 . . . . A 8 GLU HA . 34869 1 100 . 1 . 1 12 12 GLU HB2 H 1 1.932 0.004 . 2 . . . . A 8 GLU HB2 . 34869 1 101 . 1 . 1 12 12 GLU HB3 H 1 2.221 0.000 . 2 . . . . A 8 GLU HB3 . 34869 1 102 . 1 . 1 12 12 GLU HG2 H 1 2.034 0.000 . 2 . . . . A 8 GLU HG2 . 34869 1 103 . 1 . 1 12 12 GLU HG3 H 1 2.318 0.000 . 2 . . . . A 8 GLU HG3 . 34869 1 104 . 1 . 1 12 12 GLU CA C 13 60.210 0.000 . 1 . . . . A 8 GLU CA . 34869 1 105 . 1 . 1 12 12 GLU CB C 13 29.890 0.002 . 1 . . . . A 8 GLU CB . 34869 1 106 . 1 . 1 12 12 GLU CG C 13 37.784 0.015 . 1 . . . . A 8 GLU CG . 34869 1 107 . 1 . 1 12 12 GLU N N 15 118.343 0.042 . 1 . . . . A 8 GLU N . 34869 1 108 . 1 . 1 13 13 THR H H 1 7.871 0.001 . 1 . . . . A 9 THR H . 34869 1 109 . 1 . 1 13 13 THR HA H 1 3.873 0.014 . 1 . . . . A 9 THR HA . 34869 1 110 . 1 . 1 13 13 THR HB H 1 4.267 0.013 . 1 . . . . A 9 THR HB . 34869 1 111 . 1 . 1 13 13 THR HG21 H 1 1.270 0.016 . 1 . . . . A 9 THR HG21 . 34869 1 112 . 1 . 1 13 13 THR HG22 H 1 1.270 0.016 . 1 . . . . A 9 THR HG22 . 34869 1 113 . 1 . 1 13 13 THR HG23 H 1 1.270 0.016 . 1 . . . . A 9 THR HG23 . 34869 1 114 . 1 . 1 13 13 THR CA C 13 66.823 0.000 . 1 . . . . A 9 THR CA . 34869 1 115 . 1 . 1 13 13 THR CB C 13 68.644 0.000 . 1 . . . . A 9 THR CB . 34869 1 116 . 1 . 1 13 13 THR CG2 C 13 22.040 0.000 . 1 . . . . A 9 THR CG2 . 34869 1 117 . 1 . 1 13 13 THR N N 15 113.808 0.031 . 1 . . . . A 9 THR N . 34869 1 118 . 1 . 1 14 14 VAL H H 1 7.435 0.002 . 1 . . . . A 10 VAL H . 34869 1 119 . 1 . 1 14 14 VAL HA H 1 3.800 0.003 . 1 . . . . A 10 VAL HA . 34869 1 120 . 1 . 1 14 14 VAL HB H 1 2.397 0.000 . 1 . . . . A 10 VAL HB . 34869 1 121 . 1 . 1 14 14 VAL HG11 H 1 1.189 0.004 . 2 . . . . A 10 VAL HG11 . 34869 1 122 . 1 . 1 14 14 VAL HG12 H 1 1.189 0.004 . 2 . . . . A 10 VAL HG12 . 34869 1 123 . 1 . 1 14 14 VAL HG13 H 1 1.189 0.004 . 2 . . . . A 10 VAL HG13 . 34869 1 124 . 1 . 1 14 14 VAL HG21 H 1 0.941 0.020 . 2 . . . . A 10 VAL HG21 . 34869 1 125 . 1 . 1 14 14 VAL HG22 H 1 0.941 0.020 . 2 . . . . A 10 VAL HG22 . 34869 1 126 . 1 . 1 14 14 VAL HG23 H 1 0.941 0.020 . 2 . . . . A 10 VAL HG23 . 34869 1 127 . 1 . 1 14 14 VAL CA C 13 66.403 0.000 . 1 . . . . A 10 VAL CA . 34869 1 128 . 1 . 1 14 14 VAL CB C 13 32.347 0.000 . 1 . . . . A 10 VAL CB . 34869 1 129 . 1 . 1 14 14 VAL CG1 C 13 23.480 0.000 . 2 . . . . A 10 VAL CG1 . 34869 1 130 . 1 . 1 14 14 VAL CG2 C 13 22.053 0.000 . 2 . . . . A 10 VAL CG2 . 34869 1 131 . 1 . 1 14 14 VAL N N 15 120.766 0.026 . 1 . . . . A 10 VAL N . 34869 1 132 . 1 . 1 15 15 VAL H H 1 8.119 0.004 . 1 . . . . A 11 VAL H . 34869 1 133 . 1 . 1 15 15 VAL HA H 1 3.634 0.009 . 1 . . . . A 11 VAL HA . 34869 1 134 . 1 . 1 15 15 VAL HB H 1 2.376 0.005 . 1 . . . . A 11 VAL HB . 34869 1 135 . 1 . 1 15 15 VAL HG11 H 1 1.264 0.000 . 2 . . . . A 11 VAL HG11 . 34869 1 136 . 1 . 1 15 15 VAL HG12 H 1 1.264 0.000 . 2 . . . . A 11 VAL HG12 . 34869 1 137 . 1 . 1 15 15 VAL HG13 H 1 1.264 0.000 . 2 . . . . A 11 VAL HG13 . 34869 1 138 . 1 . 1 15 15 VAL HG21 H 1 1.199 0.000 . 2 . . . . A 11 VAL HG21 . 34869 1 139 . 1 . 1 15 15 VAL HG22 H 1 1.199 0.000 . 2 . . . . A 11 VAL HG22 . 34869 1 140 . 1 . 1 15 15 VAL HG23 H 1 1.199 0.000 . 2 . . . . A 11 VAL HG23 . 34869 1 141 . 1 . 1 15 15 VAL CA C 13 67.303 0.000 . 1 . . . . A 11 VAL CA . 34869 1 142 . 1 . 1 15 15 VAL CG1 C 13 23.291 0.000 . 2 . . . . A 11 VAL CG1 . 34869 1 143 . 1 . 1 15 15 VAL CG2 C 13 22.624 0.000 . 2 . . . . A 11 VAL CG2 . 34869 1 144 . 1 . 1 15 15 VAL N N 15 120.068 0.083 . 1 . . . . A 11 VAL N . 34869 1 145 . 1 . 1 16 16 LEU H H 1 8.836 0.001 . 1 . . . . A 12 LEU H . 34869 1 146 . 1 . 1 16 16 LEU HA H 1 4.223 0.000 . 1 . . . . A 12 LEU HA . 34869 1 147 . 1 . 1 16 16 LEU HB2 H 1 2.210 0.017 . 2 . . . . A 12 LEU HB2 . 34869 1 148 . 1 . 1 16 16 LEU HB3 H 1 1.682 0.003 . 2 . . . . A 12 LEU HB3 . 34869 1 149 . 1 . 1 16 16 LEU HG H 1 1.686 0.001 . 1 . . . . A 12 LEU HG . 34869 1 150 . 1 . 1 16 16 LEU HD11 H 1 1.115 0.017 . 2 . . . . A 12 LEU HD11 . 34869 1 151 . 1 . 1 16 16 LEU HD12 H 1 1.115 0.017 . 2 . . . . A 12 LEU HD12 . 34869 1 152 . 1 . 1 16 16 LEU HD13 H 1 1.115 0.017 . 2 . . . . A 12 LEU HD13 . 34869 1 153 . 1 . 1 16 16 LEU HD21 H 1 1.098 0.008 . 2 . . . . A 12 LEU HD21 . 34869 1 154 . 1 . 1 16 16 LEU HD22 H 1 1.098 0.008 . 2 . . . . A 12 LEU HD22 . 34869 1 155 . 1 . 1 16 16 LEU HD23 H 1 1.098 0.008 . 2 . . . . A 12 LEU HD23 . 34869 1 156 . 1 . 1 16 16 LEU CA C 13 58.670 0.000 . 1 . . . . A 12 LEU CA . 34869 1 157 . 1 . 1 16 16 LEU CB C 13 42.426 0.002 . 1 . . . . A 12 LEU CB . 34869 1 158 . 1 . 1 16 16 LEU CG C 13 27.341 0.000 . 1 . . . . A 12 LEU CG . 34869 1 159 . 1 . 1 16 16 LEU CD1 C 13 24.386 0.000 . 2 . . . . A 12 LEU CD1 . 34869 1 160 . 1 . 1 16 16 LEU CD2 C 13 26.002 0.000 . 2 . . . . A 12 LEU CD2 . 34869 1 161 . 1 . 1 16 16 LEU N N 15 119.578 0.028 . 1 . . . . A 12 LEU N . 34869 1 162 . 1 . 1 17 17 GLN H H 1 8.411 0.004 . 1 . . . . A 13 GLN H . 34869 1 163 . 1 . 1 17 17 GLN HA H 1 3.876 0.006 . 1 . . . . A 13 GLN HA . 34869 1 164 . 1 . 1 17 17 GLN HB2 H 1 2.267 0.009 . 2 . . . . A 13 GLN HB2 . 34869 1 165 . 1 . 1 17 17 GLN HB3 H 1 2.159 0.017 . 2 . . . . A 13 GLN HB3 . 34869 1 166 . 1 . 1 17 17 GLN HG2 H 1 2.515 0.000 . 2 . . . . A 13 GLN HG2 . 34869 1 167 . 1 . 1 17 17 GLN HG3 H 1 2.427 0.007 . 2 . . . . A 13 GLN HG3 . 34869 1 168 . 1 . 1 17 17 GLN CA C 13 58.759 0.000 . 1 . . . . A 13 GLN CA . 34869 1 169 . 1 . 1 17 17 GLN CB C 13 28.209 0.049 . 1 . . . . A 13 GLN CB . 34869 1 170 . 1 . 1 17 17 GLN CG C 13 34.004 0.006 . 1 . . . . A 13 GLN CG . 34869 1 171 . 1 . 1 17 17 GLN N N 15 117.413 0.029 . 1 . . . . A 13 GLN N . 34869 1 172 . 1 . 1 18 18 ALA H H 1 8.108 0.002 . 1 . . . . A 14 ALA H . 34869 1 173 . 1 . 1 18 18 ALA HA H 1 4.209 0.002 . 1 . . . . A 14 ALA HA . 34869 1 174 . 1 . 1 18 18 ALA HB1 H 1 1.415 0.006 . 1 . . . . A 14 ALA HB1 . 34869 1 175 . 1 . 1 18 18 ALA HB2 H 1 1.415 0.006 . 1 . . . . A 14 ALA HB2 . 34869 1 176 . 1 . 1 18 18 ALA HB3 H 1 1.415 0.006 . 1 . . . . A 14 ALA HB3 . 34869 1 177 . 1 . 1 18 18 ALA CA C 13 55.100 0.000 . 1 . . . . A 14 ALA CA . 34869 1 178 . 1 . 1 18 18 ALA CB C 13 17.354 0.000 . 1 . . . . A 14 ALA CB . 34869 1 179 . 1 . 1 18 18 ALA N N 15 120.816 0.043 . 1 . . . . A 14 ALA N . 34869 1 180 . 1 . 1 19 19 TRP H H 1 8.425 0.002 . 1 . . . . A 15 TRP H . 34869 1 181 . 1 . 1 19 19 TRP HA H 1 4.485 0.002 . 1 . . . . A 15 TRP HA . 34869 1 182 . 1 . 1 19 19 TRP HB2 H 1 3.232 0.023 . 2 . . . . A 15 TRP HB2 . 34869 1 183 . 1 . 1 19 19 TRP HB3 H 1 3.212 0.017 . 2 . . . . A 15 TRP HB3 . 34869 1 184 . 1 . 1 19 19 TRP HD1 H 1 5.799 0.000 . 1 . . . . A 15 TRP HD1 . 34869 1 185 . 1 . 1 19 19 TRP HE3 H 1 7.136 0.000 . 1 . . . . A 15 TRP HE3 . 34869 1 186 . 1 . 1 19 19 TRP HZ2 H 1 7.236 0.000 . 1 . . . . A 15 TRP HZ2 . 34869 1 187 . 1 . 1 19 19 TRP HZ3 H 1 6.479 0.000 . 1 . . . . A 15 TRP HZ3 . 34869 1 188 . 1 . 1 19 19 TRP CA C 13 59.316 0.000 . 1 . . . . A 15 TRP CA . 34869 1 189 . 1 . 1 19 19 TRP CB C 13 29.593 0.015 . 1 . . . . A 15 TRP CB . 34869 1 190 . 1 . 1 19 19 TRP CD1 C 13 125.729 0.000 . 1 . . . . A 15 TRP CD1 . 34869 1 191 . 1 . 1 19 19 TRP CE3 C 13 120.865 0.000 . 1 . . . . A 15 TRP CE3 . 34869 1 192 . 1 . 1 19 19 TRP CZ2 C 13 114.391 0.000 . 1 . . . . A 15 TRP CZ2 . 34869 1 193 . 1 . 1 19 19 TRP CZ3 C 13 120.193 0.000 . 1 . . . . A 15 TRP CZ3 . 34869 1 194 . 1 . 1 19 19 TRP N N 15 116.382 0.026 . 1 . . . . A 15 TRP N . 34869 1 195 . 1 . 1 20 20 LYS H H 1 8.858 0.002 . 1 . . . . A 16 LYS H . 34869 1 196 . 1 . 1 20 20 LYS HA H 1 3.398 0.005 . 1 . . . . A 16 LYS HA . 34869 1 197 . 1 . 1 20 20 LYS HB2 H 1 1.830 0.014 . 2 . . . . A 16 LYS HB2 . 34869 1 198 . 1 . 1 20 20 LYS HB3 H 1 1.820 0.000 . 2 . . . . A 16 LYS HB3 . 34869 1 199 . 1 . 1 20 20 LYS HG2 H 1 1.442 0.008 . 2 . . . . A 16 LYS HG2 . 34869 1 200 . 1 . 1 20 20 LYS HG3 H 1 1.816 0.006 . 2 . . . . A 16 LYS HG3 . 34869 1 201 . 1 . 1 20 20 LYS HD2 H 1 1.747 0.000 . 1 . . . . A 16 LYS HD2 . 34869 1 202 . 1 . 1 20 20 LYS HD3 H 1 1.747 0.000 . 1 . . . . A 16 LYS HD3 . 34869 1 203 . 1 . 1 20 20 LYS HE2 H 1 3.113 0.000 . 2 . . . . A 16 LYS HE2 . 34869 1 204 . 1 . 1 20 20 LYS HE3 H 1 2.959 0.005 . 2 . . . . A 16 LYS HE3 . 34869 1 205 . 1 . 1 20 20 LYS CA C 13 61.496 0.000 . 1 . . . . A 16 LYS CA . 34869 1 206 . 1 . 1 20 20 LYS CB C 13 32.353 0.004 . 1 . . . . A 16 LYS CB . 34869 1 207 . 1 . 1 20 20 LYS CG C 13 25.990 0.008 . 1 . . . . A 16 LYS CG . 34869 1 208 . 1 . 1 20 20 LYS CD C 13 30.227 0.000 . 1 . . . . A 16 LYS CD . 34869 1 209 . 1 . 1 20 20 LYS CE C 13 42.416 0.015 . 1 . . . . A 16 LYS CE . 34869 1 210 . 1 . 1 20 20 LYS N N 15 122.376 0.030 . 1 . . . . A 16 LYS N . 34869 1 211 . 1 . 1 21 21 ASP H H 1 8.215 0.004 . 1 . . . . A 17 ASP H . 34869 1 212 . 1 . 1 21 21 ASP HA H 1 4.187 0.006 . 1 . . . . A 17 ASP HA . 34869 1 213 . 1 . 1 21 21 ASP HB2 H 1 2.827 0.005 . 2 . . . . A 17 ASP HB2 . 34869 1 214 . 1 . 1 21 21 ASP HB3 H 1 2.650 0.004 . 2 . . . . A 17 ASP HB3 . 34869 1 215 . 1 . 1 21 21 ASP CA C 13 57.171 0.000 . 1 . . . . A 17 ASP CA . 34869 1 216 . 1 . 1 21 21 ASP CB C 13 41.076 0.001 . 1 . . . . A 17 ASP CB . 34869 1 217 . 1 . 1 21 21 ASP N N 15 119.483 0.000 . 1 . . . . A 17 ASP N . 34869 1 218 . 1 . 1 22 22 ILE H H 1 7.656 0.001 . 1 . . . . A 18 ILE H . 34869 1 219 . 1 . 1 22 22 ILE HA H 1 3.442 0.003 . 1 . . . . A 18 ILE HA . 34869 1 220 . 1 . 1 22 22 ILE HB H 1 1.348 0.004 . 1 . . . . A 18 ILE HB . 34869 1 221 . 1 . 1 22 22 ILE HG12 H 1 1.714 0.005 . 2 . . . . A 18 ILE HG12 . 34869 1 222 . 1 . 1 22 22 ILE HG13 H 1 0.927 0.005 . 2 . . . . A 18 ILE HG13 . 34869 1 223 . 1 . 1 22 22 ILE HG21 H 1 0.608 0.004 . 1 . . . . A 18 ILE HG21 . 34869 1 224 . 1 . 1 22 22 ILE HG22 H 1 0.608 0.004 . 1 . . . . A 18 ILE HG22 . 34869 1 225 . 1 . 1 22 22 ILE HG23 H 1 0.608 0.004 . 1 . . . . A 18 ILE HG23 . 34869 1 226 . 1 . 1 22 22 ILE HD11 H 1 0.714 0.016 . 1 . . . . A 18 ILE HD11 . 34869 1 227 . 1 . 1 22 22 ILE HD12 H 1 0.714 0.016 . 1 . . . . A 18 ILE HD12 . 34869 1 228 . 1 . 1 22 22 ILE HD13 H 1 0.714 0.016 . 1 . . . . A 18 ILE HD13 . 34869 1 229 . 1 . 1 22 22 ILE CA C 13 63.773 0.000 . 1 . . . . A 18 ILE CA . 34869 1 230 . 1 . 1 22 22 ILE CB C 13 39.797 0.000 . 1 . . . . A 18 ILE CB . 34869 1 231 . 1 . 1 22 22 ILE CG1 C 13 29.477 0.024 . 1 . . . . A 18 ILE CG1 . 34869 1 232 . 1 . 1 22 22 ILE CG2 C 13 17.127 0.000 . 1 . . . . A 18 ILE CG2 . 34869 1 233 . 1 . 1 22 22 ILE CD1 C 13 13.831 0.000 . 1 . . . . A 18 ILE CD1 . 34869 1 234 . 1 . 1 22 22 ILE N N 15 118.184 0.020 . 1 . . . . A 18 ILE N . 34869 1 235 . 1 . 1 23 23 SER H H 1 7.894 0.001 . 1 . . . . A 19 SER H . 34869 1 236 . 1 . 1 23 23 SER HA H 1 3.006 0.011 . 1 . . . . A 19 SER HA . 34869 1 237 . 1 . 1 23 23 SER HB2 H 1 3.025 0.000 . 2 . . . . A 19 SER HB2 . 34869 1 238 . 1 . 1 23 23 SER HB3 H 1 1.417 0.000 . 2 . . . . A 19 SER HB3 . 34869 1 239 . 1 . 1 23 23 SER CA C 13 59.232 0.000 . 1 . . . . A 19 SER CA . 34869 1 240 . 1 . 1 23 23 SER CB C 13 65.191 0.012 . 1 . . . . A 19 SER CB . 34869 1 241 . 1 . 1 23 23 SER N N 15 111.791 0.000 . 1 . . . . A 19 SER N . 34869 1 242 . 1 . 1 24 24 GLY H H 1 7.648 0.001 . 1 . . . . A 20 GLY H . 34869 1 243 . 1 . 1 24 24 GLY HA2 H 1 4.000 0.004 . 2 . . . . A 20 GLY HA2 . 34869 1 244 . 1 . 1 24 24 GLY HA3 H 1 3.717 0.001 . 2 . . . . A 20 GLY HA3 . 34869 1 245 . 1 . 1 24 24 GLY CA C 13 45.730 0.027 . 1 . . . . A 20 GLY CA . 34869 1 246 . 1 . 1 24 24 GLY N N 15 112.216 0.053 . 1 . . . . A 20 GLY N . 34869 1 247 . 1 . 1 25 25 ALA H H 1 7.373 0.004 . 1 . . . . A 21 ALA H . 34869 1 248 . 1 . 1 25 25 ALA HA H 1 4.360 0.009 . 1 . . . . A 21 ALA HA . 34869 1 249 . 1 . 1 25 25 ALA HB1 H 1 1.174 0.002 . 1 . . . . A 21 ALA HB1 . 34869 1 250 . 1 . 1 25 25 ALA HB2 H 1 1.174 0.002 . 1 . . . . A 21 ALA HB2 . 34869 1 251 . 1 . 1 25 25 ALA HB3 H 1 1.174 0.002 . 1 . . . . A 21 ALA HB3 . 34869 1 252 . 1 . 1 25 25 ALA CA C 13 51.808 0.000 . 1 . . . . A 21 ALA CA . 34869 1 253 . 1 . 1 25 25 ALA CB C 13 18.324 0.000 . 1 . . . . A 21 ALA CB . 34869 1 254 . 1 . 1 25 25 ALA N N 15 123.252 0.025 . 1 . . . . A 21 ALA N . 34869 1 255 . 1 . 1 26 26 ASP H H 1 8.173 0.003 . 1 . . . . A 22 ASP H . 34869 1 256 . 1 . 1 26 26 ASP HA H 1 4.510 0.006 . 1 . . . . A 22 ASP HA . 34869 1 257 . 1 . 1 26 26 ASP HB2 H 1 2.652 0.010 . 2 . . . . A 22 ASP HB2 . 34869 1 258 . 1 . 1 26 26 ASP HB3 H 1 2.637 0.011 . 2 . . . . A 22 ASP HB3 . 34869 1 259 . 1 . 1 26 26 ASP CA C 13 55.918 0.000 . 1 . . . . A 22 ASP CA . 34869 1 260 . 1 . 1 26 26 ASP CB C 13 42.071 0.000 . 1 . . . . A 22 ASP CB . 34869 1 261 . 1 . 1 26 26 ASP N N 15 121.502 0.059 . 1 . . . . A 22 ASP N . 34869 1 262 . 1 . 1 27 27 ASP H H 1 8.516 0.003 . 1 . . . . A 23 ASP H . 34869 1 263 . 1 . 1 27 27 ASP HA H 1 4.718 0.000 . 1 . . . . A 23 ASP HA . 34869 1 264 . 1 . 1 27 27 ASP HB2 H 1 2.756 0.000 . 2 . . . . A 23 ASP HB2 . 34869 1 265 . 1 . 1 27 27 ASP HB3 H 1 2.693 0.002 . 2 . . . . A 23 ASP HB3 . 34869 1 266 . 1 . 1 27 27 ASP CA C 13 53.253 0.000 . 1 . . . . A 23 ASP CA . 34869 1 267 . 1 . 1 27 27 ASP CB C 13 40.340 0.015 . 1 . . . . A 23 ASP CB . 34869 1 268 . 1 . 1 27 27 ASP N N 15 117.534 0.037 . 1 . . . . A 23 ASP N . 34869 1 269 . 1 . 1 28 28 PHE H H 1 7.685 0.002 . 1 . . . . A 24 PHE H . 34869 1 270 . 1 . 1 28 28 PHE HA H 1 4.469 0.004 . 1 . . . . A 24 PHE HA . 34869 1 271 . 1 . 1 28 28 PHE HB2 H 1 2.855 0.008 . 2 . . . . A 24 PHE HB2 . 34869 1 272 . 1 . 1 28 28 PHE HB3 H 1 3.179 0.019 . 2 . . . . A 24 PHE HB3 . 34869 1 273 . 1 . 1 28 28 PHE HD1 H 1 7.258 0.005 . 1 . . . . A 24 PHE HD1 . 34869 1 274 . 1 . 1 28 28 PHE HD2 H 1 7.258 0.005 . 1 . . . . A 24 PHE HD2 . 34869 1 275 . 1 . 1 28 28 PHE HE1 H 1 6.651 0.000 . 1 . . . . A 24 PHE HE1 . 34869 1 276 . 1 . 1 28 28 PHE HE2 H 1 6.651 0.000 . 1 . . . . A 24 PHE HE2 . 34869 1 277 . 1 . 1 28 28 PHE CA C 13 59.378 0.000 . 1 . . . . A 24 PHE CA . 34869 1 278 . 1 . 1 28 28 PHE CB C 13 41.843 0.029 . 1 . . . . A 24 PHE CB . 34869 1 279 . 1 . 1 28 28 PHE CD1 C 13 132.200 0.000 . 1 . . . . A 24 PHE CD1 . 34869 1 280 . 1 . 1 28 28 PHE CD2 C 13 132.200 0.000 . 1 . . . . A 24 PHE CD2 . 34869 1 281 . 1 . 1 28 28 PHE CE1 C 13 130.753 0.000 . 1 . . . . A 24 PHE CE1 . 34869 1 282 . 1 . 1 28 28 PHE CE2 C 13 130.753 0.000 . 1 . . . . A 24 PHE CE2 . 34869 1 283 . 1 . 1 28 28 PHE N N 15 124.501 0.033 . 1 . . . . A 24 PHE N . 34869 1 284 . 1 . 1 29 29 THR H H 1 8.541 0.004 . 1 . . . . A 25 THR H . 34869 1 285 . 1 . 1 29 29 THR HA H 1 4.938 0.005 . 1 . . . . A 25 THR HA . 34869 1 286 . 1 . 1 29 29 THR HB H 1 4.538 0.005 . 1 . . . . A 25 THR HB . 34869 1 287 . 1 . 1 29 29 THR HG21 H 1 1.189 0.006 . 1 . . . . A 25 THR HG21 . 34869 1 288 . 1 . 1 29 29 THR HG22 H 1 1.189 0.006 . 1 . . . . A 25 THR HG22 . 34869 1 289 . 1 . 1 29 29 THR HG23 H 1 1.189 0.006 . 1 . . . . A 25 THR HG23 . 34869 1 290 . 1 . 1 29 29 THR CA C 13 60.349 0.000 . 1 . . . . A 25 THR CA . 34869 1 291 . 1 . 1 29 29 THR CB C 13 71.791 0.000 . 1 . . . . A 25 THR CB . 34869 1 292 . 1 . 1 29 29 THR CG2 C 13 20.977 0.000 . 1 . . . . A 25 THR CG2 . 34869 1 293 . 1 . 1 29 29 THR N N 15 117.802 0.014 . 1 . . . . A 25 THR N . 34869 1 294 . 1 . 1 30 30 THR H H 1 8.422 0.002 . 1 . . . . A 26 THR H . 34869 1 295 . 1 . 1 30 30 THR HA H 1 3.917 0.008 . 1 . . . . A 26 THR HA . 34869 1 296 . 1 . 1 30 30 THR HB H 1 4.391 0.018 . 1 . . . . A 26 THR HB . 34869 1 297 . 1 . 1 30 30 THR HG21 H 1 1.374 0.003 . 1 . . . . A 26 THR HG21 . 34869 1 298 . 1 . 1 30 30 THR HG22 H 1 1.374 0.003 . 1 . . . . A 26 THR HG22 . 34869 1 299 . 1 . 1 30 30 THR HG23 H 1 1.374 0.003 . 1 . . . . A 26 THR HG23 . 34869 1 300 . 1 . 1 30 30 THR CA C 13 64.538 0.000 . 1 . . . . A 26 THR CA . 34869 1 301 . 1 . 1 30 30 THR CB C 13 68.495 0.000 . 1 . . . . A 26 THR CB . 34869 1 302 . 1 . 1 30 30 THR CG2 C 13 23.741 0.000 . 1 . . . . A 26 THR CG2 . 34869 1 303 . 1 . 1 30 30 THR N N 15 107.304 0.035 . 1 . . . . A 26 THR N . 34869 1 304 . 1 . 1 31 31 THR H H 1 7.323 0.004 . 1 . . . . A 27 THR H . 34869 1 305 . 1 . 1 31 31 THR HA H 1 4.434 0.020 . 1 . . . . A 27 THR HA . 34869 1 306 . 1 . 1 31 31 THR HB H 1 4.410 0.013 . 1 . . . . A 27 THR HB . 34869 1 307 . 1 . 1 31 31 THR HG21 H 1 1.026 0.003 . 1 . . . . A 27 THR HG21 . 34869 1 308 . 1 . 1 31 31 THR HG22 H 1 1.026 0.003 . 1 . . . . A 27 THR HG22 . 34869 1 309 . 1 . 1 31 31 THR HG23 H 1 1.026 0.003 . 1 . . . . A 27 THR HG23 . 34869 1 310 . 1 . 1 31 31 THR CA C 13 60.495 0.000 . 1 . . . . A 27 THR CA . 34869 1 311 . 1 . 1 31 31 THR CB C 13 69.309 0.000 . 1 . . . . A 27 THR CB . 34869 1 312 . 1 . 1 31 31 THR CG2 C 13 21.368 0.000 . 1 . . . . A 27 THR CG2 . 34869 1 313 . 1 . 1 31 31 THR N N 15 105.044 0.048 . 1 . . . . A 27 THR N . 34869 1 314 . 1 . 1 32 32 ASP H H 1 6.470 0.007 . 1 . . . . A 28 ASP H . 34869 1 315 . 1 . 1 32 32 ASP HA H 1 4.351 0.005 . 1 . . . . A 28 ASP HA . 34869 1 316 . 1 . 1 32 32 ASP HB2 H 1 1.222 0.014 . 2 . . . . A 28 ASP HB2 . 34869 1 317 . 1 . 1 32 32 ASP HB3 H 1 1.779 0.004 . 2 . . . . A 28 ASP HB3 . 34869 1 318 . 1 . 1 32 32 ASP CA C 13 54.425 0.000 . 1 . . . . A 28 ASP CA . 34869 1 319 . 1 . 1 32 32 ASP CB C 13 41.879 0.007 . 1 . . . . A 28 ASP CB . 34869 1 320 . 1 . 1 32 32 ASP N N 15 123.148 0.063 . 1 . . . . A 28 ASP N . 34869 1 321 . 1 . 1 33 33 SER H H 1 8.508 0.004 . 1 . . . . A 29 SER H . 34869 1 322 . 1 . 1 33 33 SER HA H 1 4.649 0.003 . 1 . . . . A 29 SER HA . 34869 1 323 . 1 . 1 33 33 SER HB2 H 1 3.995 0.002 . 2 . . . . A 29 SER HB2 . 34869 1 324 . 1 . 1 33 33 SER HB3 H 1 3.831 0.008 . 2 . . . . A 29 SER HB3 . 34869 1 325 . 1 . 1 33 33 SER CA C 13 56.784 0.000 . 1 . . . . A 29 SER CA . 34869 1 326 . 1 . 1 33 33 SER CB C 13 63.931 0.008 . 1 . . . . A 29 SER CB . 34869 1 327 . 1 . 1 33 33 SER N N 15 114.500 0.037 . 1 . . . . A 29 SER N . 34869 1 328 . 1 . 1 34 34 PHE H H 1 7.968 0.004 . 1 . . . . A 30 PHE H . 34869 1 329 . 1 . 1 34 34 PHE HA H 1 4.263 0.007 . 1 . . . . A 30 PHE HA . 34869 1 330 . 1 . 1 34 34 PHE HB2 H 1 2.589 0.020 . 2 . . . . A 30 PHE HB2 . 34869 1 331 . 1 . 1 34 34 PHE HB3 H 1 2.364 0.008 . 2 . . . . A 30 PHE HB3 . 34869 1 332 . 1 . 1 34 34 PHE HZ H 1 7.199 0.000 . 1 . . . . A 30 PHE HZ . 34869 1 333 . 1 . 1 34 34 PHE CA C 13 60.270 0.000 . 1 . . . . A 30 PHE CA . 34869 1 334 . 1 . 1 34 34 PHE CB C 13 38.975 0.031 . 1 . . . . A 30 PHE CB . 34869 1 335 . 1 . 1 34 34 PHE CZ C 13 129.792 0.000 . 1 . . . . A 30 PHE CZ . 34869 1 336 . 1 . 1 34 34 PHE N N 15 126.017 0.032 . 1 . . . . A 30 PHE N . 34869 1 337 . 1 . 1 35 35 LEU H H 1 8.585 0.002 . 1 . . . . A 31 LEU H . 34869 1 338 . 1 . 1 35 35 LEU HA H 1 4.328 0.003 . 1 . . . . A 31 LEU HA . 34869 1 339 . 1 . 1 35 35 LEU HB2 H 1 1.658 0.014 . 2 . . . . A 31 LEU HB2 . 34869 1 340 . 1 . 1 35 35 LEU HB3 H 1 1.673 0.007 . 2 . . . . A 31 LEU HB3 . 34869 1 341 . 1 . 1 35 35 LEU HG H 1 1.695 0.000 . 1 . . . . A 31 LEU HG . 34869 1 342 . 1 . 1 35 35 LEU HD11 H 1 0.919 0.007 . 2 . . . . A 31 LEU HD11 . 34869 1 343 . 1 . 1 35 35 LEU HD12 H 1 0.919 0.007 . 2 . . . . A 31 LEU HD12 . 34869 1 344 . 1 . 1 35 35 LEU HD13 H 1 0.919 0.007 . 2 . . . . A 31 LEU HD13 . 34869 1 345 . 1 . 1 35 35 LEU HD21 H 1 0.792 0.021 . 2 . . . . A 31 LEU HD21 . 34869 1 346 . 1 . 1 35 35 LEU HD22 H 1 0.792 0.021 . 2 . . . . A 31 LEU HD22 . 34869 1 347 . 1 . 1 35 35 LEU HD23 H 1 0.792 0.021 . 2 . . . . A 31 LEU HD23 . 34869 1 348 . 1 . 1 35 35 LEU CA C 13 56.697 0.000 . 1 . . . . A 31 LEU CA . 34869 1 349 . 1 . 1 35 35 LEU CB C 13 41.944 0.006 . 1 . . . . A 31 LEU CB . 34869 1 350 . 1 . 1 35 35 LEU CG C 13 27.495 0.000 . 1 . . . . A 31 LEU CG . 34869 1 351 . 1 . 1 35 35 LEU CD1 C 13 24.931 0.000 . 2 . . . . A 31 LEU CD1 . 34869 1 352 . 1 . 1 35 35 LEU CD2 C 13 24.235 0.000 . 2 . . . . A 31 LEU CD2 . 34869 1 353 . 1 . 1 35 35 LEU N N 15 116.762 0.032 . 1 . . . . A 31 LEU N . 34869 1 354 . 1 . 1 36 36 GLY H H 1 8.053 0.004 . 1 . . . . A 32 GLY H . 34869 1 355 . 1 . 1 36 36 GLY HA2 H 1 4.082 0.000 . 2 . . . . A 32 GLY HA2 . 34869 1 356 . 1 . 1 36 36 GLY HA3 H 1 4.002 0.002 . 2 . . . . A 32 GLY HA3 . 34869 1 357 . 1 . 1 36 36 GLY CA C 13 45.988 0.009 . 1 . . . . A 32 GLY CA . 34869 1 358 . 1 . 1 36 36 GLY N N 15 106.714 0.051 . 1 . . . . A 32 GLY N . 34869 1 359 . 1 . 1 37 37 HIS HA H 1 4.813 0.000 . 1 . . . . A 33 HIS HA . 34869 1 360 . 1 . 1 37 37 HIS HB2 H 1 3.393 0.000 . 2 . . . . A 33 HIS HB2 . 34869 1 361 . 1 . 1 37 37 HIS HB3 H 1 3.669 0.000 . 2 . . . . A 33 HIS HB3 . 34869 1 362 . 1 . 1 37 37 HIS HD2 H 1 7.284 0.000 . 1 . . . . A 33 HIS HD2 . 34869 1 363 . 1 . 1 37 37 HIS HE1 H 1 8.060 0.000 . 1 . . . . A 33 HIS HE1 . 34869 1 364 . 1 . 1 37 37 HIS CA C 13 56.779 0.000 . 1 . . . . A 33 HIS CA . 34869 1 365 . 1 . 1 37 37 HIS CB C 13 30.760 0.005 . 1 . . . . A 33 HIS CB . 34869 1 366 . 1 . 1 37 37 HIS CD2 C 13 120.483 0.000 . 1 . . . . A 33 HIS CD2 . 34869 1 367 . 1 . 1 37 37 HIS CE1 C 13 138.226 0.000 . 1 . . . . A 33 HIS CE1 . 34869 1 368 . 1 . 1 38 38 GLY H H 1 8.407 0.002 . 1 . . . . A 34 GLY H . 34869 1 369 . 1 . 1 38 38 GLY HA2 H 1 3.968 0.005 . 2 . . . . A 34 GLY HA2 . 34869 1 370 . 1 . 1 38 38 GLY HA3 H 1 4.207 0.009 . 2 . . . . A 34 GLY HA3 . 34869 1 371 . 1 . 1 38 38 GLY CA C 13 45.722 0.011 . 1 . . . . A 34 GLY CA . 34869 1 372 . 1 . 1 38 38 GLY N N 15 108.856 0.038 . 1 . . . . A 34 GLY N . 34869 1 373 . 1 . 1 39 39 GLY H H 1 8.194 0.001 . 1 . . . . A 35 GLY H . 34869 1 374 . 1 . 1 39 39 GLY HA2 H 1 4.246 0.004 . 2 . . . . A 35 GLY HA2 . 34869 1 375 . 1 . 1 39 39 GLY HA3 H 1 3.955 0.007 . 2 . . . . A 35 GLY HA3 . 34869 1 376 . 1 . 1 39 39 GLY CA C 13 45.798 0.005 . 1 . . . . A 35 GLY CA . 34869 1 377 . 1 . 1 39 39 GLY N N 15 108.341 0.048 . 1 . . . . A 35 GLY N . 34869 1 378 . 1 . 1 40 40 ASN H H 1 8.405 0.005 . 1 . . . . A 36 ASN H . 34869 1 379 . 1 . 1 40 40 ASN HA H 1 4.629 0.000 . 1 . . . . A 36 ASN HA . 34869 1 380 . 1 . 1 40 40 ASN HB2 H 1 2.452 0.017 . 2 . . . . A 36 ASN HB2 . 34869 1 381 . 1 . 1 40 40 ASN HB3 H 1 2.743 0.009 . 2 . . . . A 36 ASN HB3 . 34869 1 382 . 1 . 1 40 40 ASN CA C 13 52.450 0.000 . 1 . . . . A 36 ASN CA . 34869 1 383 . 1 . 1 40 40 ASN CB C 13 39.146 0.001 . 1 . . . . A 36 ASN CB . 34869 1 384 . 1 . 1 40 40 ASN N N 15 119.813 0.045 . 1 . . . . A 36 ASN N . 34869 1 385 . 1 . 1 41 41 WP9 H1 H 1 9.042 0.004 . 1 . . . . A 37 WP9 H1 . 34869 1 386 . 1 . 1 41 41 WP9 H32 H 1 3.995 0.001 . 1 . . . . A 37 WP9 H32 . 34869 1 387 . 1 . 1 41 41 WP9 H36 H 1 7.907 0.002 . 1 . . . . A 37 WP9 H36 . 34869 1 388 . 1 . 1 41 41 WP9 H41 H 1 8.049 0.001 . 1 . . . . A 37 WP9 H41 . 34869 1 389 . 1 . 1 41 41 WP9 H281 H 1 3.746 0.000 . 2 . . . . A 37 WP9 H281 . 34869 1 390 . 1 . 1 41 41 WP9 H282 H 1 3.314 0.000 . 2 . . . . A 37 WP9 H282 . 34869 1 391 . 1 . 1 41 41 WP9 H301 H 1 0.930 0.003 . 1 . . . . A 37 WP9 H301 . 34869 1 392 . 1 . 1 41 41 WP9 H302 H 1 0.930 0.003 . 1 . . . . A 37 WP9 H302 . 34869 1 393 . 1 . 1 41 41 WP9 H303 H 1 0.930 0.003 . 1 . . . . A 37 WP9 H303 . 34869 1 394 . 1 . 1 41 41 WP9 H311 H 1 0.816 0.001 . 1 . . . . A 37 WP9 H311 . 34869 1 395 . 1 . 1 41 41 WP9 H312 H 1 0.816 0.001 . 1 . . . . A 37 WP9 H312 . 34869 1 396 . 1 . 1 41 41 WP9 H313 H 1 0.816 0.001 . 1 . . . . A 37 WP9 H313 . 34869 1 397 . 1 . 1 41 41 WP9 H371 H 1 3.414 0.002 . 1 . . . . A 37 WP9 H371 . 34869 1 398 . 1 . 1 41 41 WP9 H372 H 1 3.414 0.002 . 1 . . . . A 37 WP9 H372 . 34869 1 399 . 1 . 1 41 41 WP9 H381 H 1 2.389 0.002 . 1 . . . . A 37 WP9 H381 . 34869 1 400 . 1 . 1 41 41 WP9 H382 H 1 2.389 0.002 . 1 . . . . A 37 WP9 H382 . 34869 1 401 . 1 . 1 41 41 WP9 H421 H 1 3.305 0.002 . 1 . . . . A 37 WP9 H421 . 34869 1 402 . 1 . 1 41 41 WP9 H422 H 1 3.305 0.002 . 1 . . . . A 37 WP9 H422 . 34869 1 403 . 1 . 1 41 41 WP9 H431 H 1 2.978 0.000 . 1 . . . . A 37 WP9 H431 . 34869 1 404 . 1 . 1 41 41 WP9 H432 H 1 2.978 0.000 . 1 . . . . A 37 WP9 H432 . 34869 1 405 . 1 . 1 41 41 WP9 C28 C 13 74.074 0.000 . 1 . . . . A 37 WP9 C28 . 34869 1 406 . 1 . 1 41 41 WP9 C30 C 13 23.864 0.000 . 1 . . . . A 37 WP9 C30 . 34869 1 407 . 1 . 1 41 41 WP9 C31 C 13 21.488 0.000 . 1 . . . . A 37 WP9 C31 . 34869 1 408 . 1 . 1 41 41 WP9 C32 C 13 76.741 0.000 . 1 . . . . A 37 WP9 C32 . 34869 1 409 . 1 . 1 41 41 WP9 C37 C 13 38.199 0.000 . 1 . . . . A 37 WP9 C37 . 34869 1 410 . 1 . 1 41 41 WP9 C38 C 13 37.949 0.000 . 1 . . . . A 37 WP9 C38 . 34869 1 411 . 1 . 1 41 41 WP9 C42 C 13 41.725 0.000 . 1 . . . . A 37 WP9 C42 . 34869 1 412 . 1 . 1 41 41 WP9 C43 C 13 30.448 0.000 . 1 . . . . A 37 WP9 C43 . 34869 1 413 . 1 . 1 41 41 WP9 N N 15 118.055 0.047 . 1 . . . . A 37 WP9 N . 34869 1 414 . 1 . 1 41 41 WP9 N36 N 15 119.909 0.032 . 1 . . . . A 37 WP9 N36 . 34869 1 415 . 1 . 1 41 41 WP9 N41 N 15 123.398 0.025 . 1 . . . . A 37 WP9 N41 . 34869 1 416 . 1 . 1 41 41 WP9 CA C 13 60.135 0.000 . 1 . . . . A 37 WP9 CA . 34869 1 417 . 1 . 1 41 41 WP9 CB C 13 65.769 0.000 . 1 . . . . A 37 WP9 CB . 34869 1 418 . 1 . 1 41 41 WP9 HA H 1 3.814 0.009 . 1 . . . . A 37 WP9 HA . 34869 1 419 . 1 . 1 41 41 WP9 HB1 H 1 4.111 0.002 . 1 . . . . A 37 WP9 HB1 . 34869 1 420 . 1 . 1 41 41 WP9 HB2 H 1 4.111 0.002 . 1 . . . . A 37 WP9 HB2 . 34869 1 421 . 1 . 1 42 42 LEU H H 1 8.138 0.002 . 1 . . . . A 38 LEU H . 34869 1 422 . 1 . 1 42 42 LEU HA H 1 4.144 0.005 . 1 . . . . A 38 LEU HA . 34869 1 423 . 1 . 1 42 42 LEU HB2 H 1 1.580 0.004 . 2 . . . . A 38 LEU HB2 . 34869 1 424 . 1 . 1 42 42 LEU HB3 H 1 1.467 0.000 . 2 . . . . A 38 LEU HB3 . 34869 1 425 . 1 . 1 42 42 LEU HG H 1 1.580 0.005 . 1 . . . . A 38 LEU HG . 34869 1 426 . 1 . 1 42 42 LEU HD11 H 1 0.873 0.012 . 2 . . . . A 38 LEU HD11 . 34869 1 427 . 1 . 1 42 42 LEU HD12 H 1 0.873 0.012 . 2 . . . . A 38 LEU HD12 . 34869 1 428 . 1 . 1 42 42 LEU HD13 H 1 0.873 0.012 . 2 . . . . A 38 LEU HD13 . 34869 1 429 . 1 . 1 42 42 LEU HD21 H 1 0.863 0.008 . 2 . . . . A 38 LEU HD21 . 34869 1 430 . 1 . 1 42 42 LEU HD22 H 1 0.863 0.008 . 2 . . . . A 38 LEU HD22 . 34869 1 431 . 1 . 1 42 42 LEU HD23 H 1 0.863 0.008 . 2 . . . . A 38 LEU HD23 . 34869 1 432 . 1 . 1 42 42 LEU CA C 13 57.654 0.000 . 1 . . . . A 38 LEU CA . 34869 1 433 . 1 . 1 42 42 LEU CB C 13 41.126 0.004 . 1 . . . . A 38 LEU CB . 34869 1 434 . 1 . 1 42 42 LEU CG C 13 27.107 0.000 . 1 . . . . A 38 LEU CG . 34869 1 435 . 1 . 1 42 42 LEU CD1 C 13 24.140 0.000 . 2 . . . . A 38 LEU CD1 . 34869 1 436 . 1 . 1 42 42 LEU CD2 C 13 24.117 0.000 . 2 . . . . A 38 LEU CD2 . 34869 1 437 . 1 . 1 42 42 LEU N N 15 122.741 0.024 . 1 . . . . A 38 LEU N . 34869 1 438 . 1 . 1 43 43 HIS H H 1 7.819 0.006 . 1 . . . . A 39 HIS H . 34869 1 439 . 1 . 1 43 43 HIS HA H 1 4.457 0.004 . 1 . . . . A 39 HIS HA . 34869 1 440 . 1 . 1 43 43 HIS HB2 H 1 2.944 0.000 . 2 . . . . A 39 HIS HB2 . 34869 1 441 . 1 . 1 43 43 HIS HB3 H 1 3.220 0.008 . 2 . . . . A 39 HIS HB3 . 34869 1 442 . 1 . 1 43 43 HIS HD2 H 1 6.733 0.013 . 1 . . . . A 39 HIS HD2 . 34869 1 443 . 1 . 1 43 43 HIS HE1 H 1 7.757 0.000 . 1 . . . . A 39 HIS HE1 . 34869 1 444 . 1 . 1 43 43 HIS CA C 13 57.510 0.000 . 1 . . . . A 39 HIS CA . 34869 1 445 . 1 . 1 43 43 HIS CB C 13 31.377 0.024 . 1 . . . . A 39 HIS CB . 34869 1 446 . 1 . 1 43 43 HIS CD2 C 13 117.297 0.000 . 1 . . . . A 39 HIS CD2 . 34869 1 447 . 1 . 1 43 43 HIS CE1 C 13 138.554 0.000 . 1 . . . . A 39 HIS CE1 . 34869 1 448 . 1 . 1 43 43 HIS N N 15 117.426 0.041 . 1 . . . . A 39 HIS N . 34869 1 449 . 1 . 1 44 44 PHE H H 1 7.887 0.000 . 1 . . . . A 40 PHE H . 34869 1 450 . 1 . 1 44 44 PHE HA H 1 4.375 0.010 . 1 . . . . A 40 PHE HA . 34869 1 451 . 1 . 1 44 44 PHE HB2 H 1 3.386 0.000 . 2 . . . . A 40 PHE HB2 . 34869 1 452 . 1 . 1 44 44 PHE HB3 H 1 2.956 0.004 . 2 . . . . A 40 PHE HB3 . 34869 1 453 . 1 . 1 44 44 PHE HD1 H 1 6.950 0.015 . 1 . . . . A 40 PHE HD1 . 34869 1 454 . 1 . 1 44 44 PHE HD2 H 1 6.950 0.015 . 1 . . . . A 40 PHE HD2 . 34869 1 455 . 1 . 1 44 44 PHE HE1 H 1 6.987 0.000 . 1 . . . . A 40 PHE HE1 . 34869 1 456 . 1 . 1 44 44 PHE HE2 H 1 6.987 0.000 . 1 . . . . A 40 PHE HE2 . 34869 1 457 . 1 . 1 44 44 PHE HZ H 1 7.153 0.012 . 1 . . . . A 40 PHE HZ . 34869 1 458 . 1 . 1 44 44 PHE CA C 13 59.943 0.000 . 1 . . . . A 40 PHE CA . 34869 1 459 . 1 . 1 44 44 PHE CB C 13 37.920 0.005 . 1 . . . . A 40 PHE CB . 34869 1 460 . 1 . 1 44 44 PHE CD1 C 13 130.278 0.000 . 1 . . . . A 40 PHE CD1 . 34869 1 461 . 1 . 1 44 44 PHE CD2 C 13 130.278 0.000 . 1 . . . . A 40 PHE CD2 . 34869 1 462 . 1 . 1 44 44 PHE CE1 C 13 131.156 0.000 . 1 . . . . A 40 PHE CE1 . 34869 1 463 . 1 . 1 44 44 PHE CE2 C 13 131.156 0.000 . 1 . . . . A 40 PHE CE2 . 34869 1 464 . 1 . 1 44 44 PHE CZ C 13 129.652 0.000 . 1 . . . . A 40 PHE CZ . 34869 1 465 . 1 . 1 44 44 PHE N N 15 118.520 0.000 . 1 . . . . A 40 PHE N . 34869 1 466 . 1 . 1 45 45 VAL H H 1 7.654 0.002 . 1 . . . . A 41 VAL H . 34869 1 467 . 1 . 1 45 45 VAL HA H 1 3.832 0.001 . 1 . . . . A 41 VAL HA . 34869 1 468 . 1 . 1 45 45 VAL HB H 1 2.333 0.007 . 1 . . . . A 41 VAL HB . 34869 1 469 . 1 . 1 45 45 VAL HG11 H 1 1.031 0.001 . 2 . . . . A 41 VAL HG11 . 34869 1 470 . 1 . 1 45 45 VAL HG12 H 1 1.031 0.001 . 2 . . . . A 41 VAL HG12 . 34869 1 471 . 1 . 1 45 45 VAL HG13 H 1 1.031 0.001 . 2 . . . . A 41 VAL HG13 . 34869 1 472 . 1 . 1 45 45 VAL HG21 H 1 1.210 0.005 . 2 . . . . A 41 VAL HG21 . 34869 1 473 . 1 . 1 45 45 VAL HG22 H 1 1.210 0.005 . 2 . . . . A 41 VAL HG22 . 34869 1 474 . 1 . 1 45 45 VAL HG23 H 1 1.210 0.005 . 2 . . . . A 41 VAL HG23 . 34869 1 475 . 1 . 1 45 45 VAL CA C 13 65.613 0.000 . 1 . . . . A 41 VAL CA . 34869 1 476 . 1 . 1 45 45 VAL CB C 13 32.097 0.000 . 1 . . . . A 41 VAL CB . 34869 1 477 . 1 . 1 45 45 VAL CG1 C 13 20.862 0.000 . 2 . . . . A 41 VAL CG1 . 34869 1 478 . 1 . 1 45 45 VAL CG2 C 13 22.733 0.000 . 2 . . . . A 41 VAL CG2 . 34869 1 479 . 1 . 1 45 45 VAL N N 15 119.518 0.046 . 1 . . . . A 41 VAL N . 34869 1 480 . 1 . 1 46 46 GLN H H 1 8.040 0.006 . 1 . . . . A 42 GLN H . 34869 1 481 . 1 . 1 46 46 GLN HA H 1 4.132 0.002 . 1 . . . . A 42 GLN HA . 34869 1 482 . 1 . 1 46 46 GLN HB2 H 1 2.313 0.015 . 2 . . . . A 42 GLN HB2 . 34869 1 483 . 1 . 1 46 46 GLN HB3 H 1 2.012 0.003 . 2 . . . . A 42 GLN HB3 . 34869 1 484 . 1 . 1 46 46 GLN HG2 H 1 2.403 0.000 . 2 . . . . A 42 GLN HG2 . 34869 1 485 . 1 . 1 46 46 GLN HG3 H 1 2.591 0.001 . 2 . . . . A 42 GLN HG3 . 34869 1 486 . 1 . 1 46 46 GLN CA C 13 58.769 0.000 . 1 . . . . A 42 GLN CA . 34869 1 487 . 1 . 1 46 46 GLN CB C 13 28.997 0.001 . 1 . . . . A 42 GLN CB . 34869 1 488 . 1 . 1 46 46 GLN CG C 13 34.524 0.010 . 1 . . . . A 42 GLN CG . 34869 1 489 . 1 . 1 46 46 GLN N N 15 118.797 0.032 . 1 . . . . A 42 GLN N . 34869 1 490 . 1 . 1 47 47 LEU H H 1 8.570 0.002 . 1 . . . . A 43 LEU H . 34869 1 491 . 1 . 1 47 47 LEU HA H 1 3.961 0.008 . 1 . . . . A 43 LEU HA . 34869 1 492 . 1 . 1 47 47 LEU HB2 H 1 1.995 0.000 . 2 . . . . A 43 LEU HB2 . 34869 1 493 . 1 . 1 47 47 LEU HB3 H 1 1.667 0.004 . 2 . . . . A 43 LEU HB3 . 34869 1 494 . 1 . 1 47 47 LEU HG H 1 1.361 0.000 . 1 . . . . A 43 LEU HG . 34869 1 495 . 1 . 1 47 47 LEU HD11 H 1 0.968 0.006 . 2 . . . . A 43 LEU HD11 . 34869 1 496 . 1 . 1 47 47 LEU HD12 H 1 0.968 0.006 . 2 . . . . A 43 LEU HD12 . 34869 1 497 . 1 . 1 47 47 LEU HD13 H 1 0.968 0.006 . 2 . . . . A 43 LEU HD13 . 34869 1 498 . 1 . 1 47 47 LEU HD21 H 1 0.284 0.007 . 2 . . . . A 43 LEU HD21 . 34869 1 499 . 1 . 1 47 47 LEU HD22 H 1 0.284 0.007 . 2 . . . . A 43 LEU HD22 . 34869 1 500 . 1 . 1 47 47 LEU HD23 H 1 0.284 0.007 . 2 . . . . A 43 LEU HD23 . 34869 1 501 . 1 . 1 47 47 LEU CA C 13 58.436 0.000 . 1 . . . . A 43 LEU CA . 34869 1 502 . 1 . 1 47 47 LEU CB C 13 41.679 0.001 . 1 . . . . A 43 LEU CB . 34869 1 503 . 1 . 1 47 47 LEU CG C 13 26.943 0.000 . 1 . . . . A 43 LEU CG . 34869 1 504 . 1 . 1 47 47 LEU CD1 C 13 23.430 0.000 . 2 . . . . A 43 LEU CD1 . 34869 1 505 . 1 . 1 47 47 LEU CD2 C 13 25.814 0.000 . 2 . . . . A 43 LEU CD2 . 34869 1 506 . 1 . 1 47 47 LEU N N 15 121.406 0.028 . 1 . . . . A 43 LEU N . 34869 1 507 . 1 . 1 48 48 ALA H H 1 8.134 0.003 . 1 . . . . A 44 ALA H . 34869 1 508 . 1 . 1 48 48 ALA HA H 1 3.677 0.004 . 1 . . . . A 44 ALA HA . 34869 1 509 . 1 . 1 48 48 ALA HB1 H 1 1.359 0.001 . 1 . . . . A 44 ALA HB1 . 34869 1 510 . 1 . 1 48 48 ALA HB2 H 1 1.359 0.001 . 1 . . . . A 44 ALA HB2 . 34869 1 511 . 1 . 1 48 48 ALA HB3 H 1 1.359 0.001 . 1 . . . . A 44 ALA HB3 . 34869 1 512 . 1 . 1 48 48 ALA CA C 13 56.164 0.000 . 1 . . . . A 44 ALA CA . 34869 1 513 . 1 . 1 48 48 ALA CB C 13 17.324 0.000 . 1 . . . . A 44 ALA CB . 34869 1 514 . 1 . 1 48 48 ALA N N 15 120.465 0.041 . 1 . . . . A 44 ALA N . 34869 1 515 . 1 . 1 49 49 SER H H 1 7.830 0.002 . 1 . . . . A 45 SER H . 34869 1 516 . 1 . 1 49 49 SER HA H 1 4.279 0.004 . 1 . . . . A 45 SER HA . 34869 1 517 . 1 . 1 49 49 SER HB2 H 1 4.021 0.009 . 2 . . . . A 45 SER HB2 . 34869 1 518 . 1 . 1 49 49 SER HB3 H 1 4.011 0.012 . 2 . . . . A 45 SER HB3 . 34869 1 519 . 1 . 1 49 49 SER CA C 13 61.254 0.000 . 1 . . . . A 45 SER CA . 34869 1 520 . 1 . 1 49 49 SER CB C 13 63.131 0.001 . 1 . . . . A 45 SER CB . 34869 1 521 . 1 . 1 49 49 SER N N 15 109.822 0.025 . 1 . . . . A 45 SER N . 34869 1 522 . 1 . 1 50 50 ARG H H 1 8.354 0.001 . 1 . . . . A 46 ARG H . 34869 1 523 . 1 . 1 50 50 ARG HA H 1 4.105 0.009 . 1 . . . . A 46 ARG HA . 34869 1 524 . 1 . 1 50 50 ARG HB2 H 1 1.894 0.006 . 2 . . . . A 46 ARG HB2 . 34869 1 525 . 1 . 1 50 50 ARG HB3 H 1 2.133 0.004 . 2 . . . . A 46 ARG HB3 . 34869 1 526 . 1 . 1 50 50 ARG HG2 H 1 1.745 0.004 . 1 . . . . A 46 ARG HG2 . 34869 1 527 . 1 . 1 50 50 ARG HG3 H 1 1.745 0.004 . 1 . . . . A 46 ARG HG3 . 34869 1 528 . 1 . 1 50 50 ARG HD2 H 1 3.160 0.000 . 2 . . . . A 46 ARG HD2 . 34869 1 529 . 1 . 1 50 50 ARG HD3 H 1 3.261 0.000 . 2 . . . . A 46 ARG HD3 . 34869 1 530 . 1 . 1 50 50 ARG CA C 13 59.010 0.000 . 1 . . . . A 46 ARG CA . 34869 1 531 . 1 . 1 50 50 ARG CB C 13 29.786 0.002 . 1 . . . . A 46 ARG CB . 34869 1 532 . 1 . 1 50 50 ARG CG C 13 26.753 0.000 . 1 . . . . A 46 ARG CG . 34869 1 533 . 1 . 1 50 50 ARG CD C 13 42.809 0.013 . 1 . . . . A 46 ARG CD . 34869 1 534 . 1 . 1 50 50 ARG N N 15 121.567 0.034 . 1 . . . . A 46 ARG N . 34869 1 535 . 1 . 1 51 51 LEU H H 1 8.562 0.008 . 1 . . . . A 47 LEU H . 34869 1 536 . 1 . 1 51 51 LEU HA H 1 4.059 0.000 . 1 . . . . A 47 LEU HA . 34869 1 537 . 1 . 1 51 51 LEU HB2 H 1 2.107 0.000 . 2 . . . . A 47 LEU HB2 . 34869 1 538 . 1 . 1 51 51 LEU HB3 H 1 1.494 0.000 . 2 . . . . A 47 LEU HB3 . 34869 1 539 . 1 . 1 51 51 LEU HG H 1 2.296 0.006 . 1 . . . . A 47 LEU HG . 34869 1 540 . 1 . 1 51 51 LEU HD11 H 1 0.942 0.018 . 1 . . . . A 47 LEU HD11 . 34869 1 541 . 1 . 1 51 51 LEU HD12 H 1 0.942 0.018 . 1 . . . . A 47 LEU HD12 . 34869 1 542 . 1 . 1 51 51 LEU HD13 H 1 0.942 0.018 . 1 . . . . A 47 LEU HD13 . 34869 1 543 . 1 . 1 51 51 LEU HD21 H 1 0.942 0.018 . 1 . . . . A 47 LEU HD21 . 34869 1 544 . 1 . 1 51 51 LEU HD22 H 1 0.942 0.018 . 1 . . . . A 47 LEU HD22 . 34869 1 545 . 1 . 1 51 51 LEU HD23 H 1 0.942 0.018 . 1 . . . . A 47 LEU HD23 . 34869 1 546 . 1 . 1 51 51 LEU CA C 13 58.221 0.000 . 1 . . . . A 47 LEU CA . 34869 1 547 . 1 . 1 51 51 LEU CB C 13 41.225 0.002 . 1 . . . . A 47 LEU CB . 34869 1 548 . 1 . 1 51 51 LEU CG C 13 26.560 0.000 . 1 . . . . A 47 LEU CG . 34869 1 549 . 1 . 1 51 51 LEU CD1 C 13 27.070 0.000 . 1 . . . . A 47 LEU CD1 . 34869 1 550 . 1 . 1 51 51 LEU CD2 C 13 27.070 0.000 . 1 . . . . A 47 LEU CD2 . 34869 1 551 . 1 . 1 51 51 LEU N N 15 116.674 0.000 . 1 . . . . A 47 LEU N . 34869 1 552 . 1 . 1 52 52 GLN H H 1 8.487 0.011 . 1 . . . . A 48 GLN H . 34869 1 553 . 1 . 1 52 52 GLN HA H 1 4.668 0.000 . 1 . . . . A 48 GLN HA . 34869 1 554 . 1 . 1 52 52 GLN HB2 H 1 2.281 0.012 . 2 . . . . A 48 GLN HB2 . 34869 1 555 . 1 . 1 52 52 GLN HB3 H 1 2.518 0.006 . 2 . . . . A 48 GLN HB3 . 34869 1 556 . 1 . 1 52 52 GLN HG2 H 1 2.388 0.000 . 2 . . . . A 48 GLN HG2 . 34869 1 557 . 1 . 1 52 52 GLN HG3 H 1 2.760 0.009 . 2 . . . . A 48 GLN HG3 . 34869 1 558 . 1 . 1 52 52 GLN CA C 13 59.392 0.000 . 1 . . . . A 48 GLN CA . 34869 1 559 . 1 . 1 52 52 GLN CB C 13 28.630 0.036 . 1 . . . . A 48 GLN CB . 34869 1 560 . 1 . 1 52 52 GLN CG C 13 33.568 0.001 . 1 . . . . A 48 GLN CG . 34869 1 561 . 1 . 1 52 52 GLN N N 15 120.522 0.021 . 1 . . . . A 48 GLN N . 34869 1 562 . 1 . 1 53 53 LYS H H 1 7.673 0.009 . 1 . . . . A 49 LYS H . 34869 1 563 . 1 . 1 53 53 LYS HA H 1 4.108 0.005 . 1 . . . . A 49 LYS HA . 34869 1 564 . 1 . 1 53 53 LYS HB2 H 1 2.015 0.000 . 1 . . . . A 49 LYS HB2 . 34869 1 565 . 1 . 1 53 53 LYS HB3 H 1 2.015 0.000 . 1 . . . . A 49 LYS HB3 . 34869 1 566 . 1 . 1 53 53 LYS HG2 H 1 1.544 0.010 . 1 . . . . A 49 LYS HG2 . 34869 1 567 . 1 . 1 53 53 LYS HD2 H 1 1.702 0.003 . 1 . . . . A 49 LYS HD2 . 34869 1 568 . 1 . 1 53 53 LYS HD3 H 1 1.702 0.003 . 1 . . . . A 49 LYS HD3 . 34869 1 569 . 1 . 1 53 53 LYS HE2 H 1 2.977 0.000 . 1 . . . . A 49 LYS HE2 . 34869 1 570 . 1 . 1 53 53 LYS HE3 H 1 2.977 0.000 . 1 . . . . A 49 LYS HE3 . 34869 1 571 . 1 . 1 53 53 LYS CA C 13 58.733 0.000 . 1 . . . . A 49 LYS CA . 34869 1 572 . 1 . 1 53 53 LYS CB C 13 32.427 0.000 . 1 . . . . A 49 LYS CB . 34869 1 573 . 1 . 1 53 53 LYS CG C 13 25.061 0.009 . 1 . . . . A 49 LYS CG . 34869 1 574 . 1 . 1 53 53 LYS CD C 13 29.084 0.000 . 1 . . . . A 49 LYS CD . 34869 1 575 . 1 . 1 53 53 LYS CE C 13 42.200 0.000 . 1 . . . . A 49 LYS CE . 34869 1 576 . 1 . 1 53 53 LYS N N 15 119.305 0.036 . 1 . . . . A 49 LYS N . 34869 1 577 . 1 . 1 54 54 ILE H H 1 8.236 0.001 . 1 . . . . A 50 ILE H . 34869 1 578 . 1 . 1 54 54 ILE HA H 1 3.585 0.005 . 1 . . . . A 50 ILE HA . 34869 1 579 . 1 . 1 54 54 ILE HB H 1 1.198 0.003 . 1 . . . . A 50 ILE HB . 34869 1 580 . 1 . 1 54 54 ILE HG12 H 1 0.862 0.000 . 2 . . . . A 50 ILE HG12 . 34869 1 581 . 1 . 1 54 54 ILE HG13 H 1 1.665 0.000 . 2 . . . . A 50 ILE HG13 . 34869 1 582 . 1 . 1 54 54 ILE HG21 H 1 -0.013 0.000 . 1 . . . . A 50 ILE HG21 . 34869 1 583 . 1 . 1 54 54 ILE HG22 H 1 -0.013 0.000 . 1 . . . . A 50 ILE HG22 . 34869 1 584 . 1 . 1 54 54 ILE HG23 H 1 -0.013 0.000 . 1 . . . . A 50 ILE HG23 . 34869 1 585 . 1 . 1 54 54 ILE HD11 H 1 0.605 0.001 . 1 . . . . A 50 ILE HD11 . 34869 1 586 . 1 . 1 54 54 ILE HD12 H 1 0.605 0.001 . 1 . . . . A 50 ILE HD12 . 34869 1 587 . 1 . 1 54 54 ILE HD13 H 1 0.605 0.001 . 1 . . . . A 50 ILE HD13 . 34869 1 588 . 1 . 1 54 54 ILE CA C 13 64.917 0.000 . 1 . . . . A 50 ILE CA . 34869 1 589 . 1 . 1 54 54 ILE CB C 13 39.580 0.000 . 1 . . . . A 50 ILE CB . 34869 1 590 . 1 . 1 54 54 ILE CG1 C 13 28.458 0.042 . 1 . . . . A 50 ILE CG1 . 34869 1 591 . 1 . 1 54 54 ILE CG2 C 13 16.178 0.000 . 1 . . . . A 50 ILE CG2 . 34869 1 592 . 1 . 1 54 54 ILE CD1 C 13 13.936 0.000 . 1 . . . . A 50 ILE CD1 . 34869 1 593 . 1 . 1 54 54 ILE N N 15 117.064 0.023 . 1 . . . . A 50 ILE N . 34869 1 594 . 1 . 1 55 55 PHE HA H 1 4.740 0.002 . 1 . . . . A 51 PHE HA . 34869 1 595 . 1 . 1 55 55 PHE HB2 H 1 3.127 0.000 . 2 . . . . A 51 PHE HB2 . 34869 1 596 . 1 . 1 55 55 PHE HB3 H 1 2.870 0.003 . 2 . . . . A 51 PHE HB3 . 34869 1 597 . 1 . 1 55 55 PHE HE1 H 1 7.242 0.000 . 1 . . . . A 51 PHE HE1 . 34869 1 598 . 1 . 1 55 55 PHE HE2 H 1 7.242 0.000 . 1 . . . . A 51 PHE HE2 . 34869 1 599 . 1 . 1 55 55 PHE CA C 13 59.028 0.000 . 1 . . . . A 51 PHE CA . 34869 1 600 . 1 . 1 55 55 PHE CB C 13 40.647 0.005 . 1 . . . . A 51 PHE CB . 34869 1 601 . 1 . 1 55 55 PHE CE1 C 13 131.381 0.000 . 1 . . . . A 51 PHE CE1 . 34869 1 602 . 1 . 1 55 55 PHE CE2 C 13 131.381 0.000 . 1 . . . . A 51 PHE CE2 . 34869 1 603 . 1 . 1 56 56 GLY H H 1 8.281 0.003 . 1 . . . . A 52 GLY H . 34869 1 604 . 1 . 1 56 56 GLY HA2 H 1 3.997 0.003 . 1 . . . . A 52 GLY HA2 . 34869 1 605 . 1 . 1 56 56 GLY HA3 H 1 3.997 0.003 . 1 . . . . A 52 GLY HA3 . 34869 1 606 . 1 . 1 56 56 GLY CA C 13 47.091 0.000 . 1 . . . . A 52 GLY CA . 34869 1 607 . 1 . 1 56 56 GLY N N 15 109.273 0.044 . 1 . . . . A 52 GLY N . 34869 1 608 . 1 . 1 57 57 VAL H H 1 6.885 0.003 . 1 . . . . A 53 VAL H . 34869 1 609 . 1 . 1 57 57 VAL HA H 1 4.492 0.005 . 1 . . . . A 53 VAL HA . 34869 1 610 . 1 . 1 57 57 VAL HB H 1 1.956 0.003 . 1 . . . . A 53 VAL HB . 34869 1 611 . 1 . 1 57 57 VAL HG11 H 1 0.667 0.015 . 2 . . . . A 53 VAL HG11 . 34869 1 612 . 1 . 1 57 57 VAL HG12 H 1 0.667 0.015 . 2 . . . . A 53 VAL HG12 . 34869 1 613 . 1 . 1 57 57 VAL HG13 H 1 0.667 0.015 . 2 . . . . A 53 VAL HG13 . 34869 1 614 . 1 . 1 57 57 VAL HG21 H 1 0.753 0.000 . 2 . . . . A 53 VAL HG21 . 34869 1 615 . 1 . 1 57 57 VAL HG22 H 1 0.753 0.000 . 2 . . . . A 53 VAL HG22 . 34869 1 616 . 1 . 1 57 57 VAL HG23 H 1 0.753 0.000 . 2 . . . . A 53 VAL HG23 . 34869 1 617 . 1 . 1 57 57 VAL CA C 13 58.166 0.000 . 1 . . . . A 53 VAL CA . 34869 1 618 . 1 . 1 57 57 VAL CB C 13 34.654 0.000 . 1 . . . . A 53 VAL CB . 34869 1 619 . 1 . 1 57 57 VAL CG1 C 13 18.918 0.000 . 2 . . . . A 53 VAL CG1 . 34869 1 620 . 1 . 1 57 57 VAL CG2 C 13 21.521 0.000 . 2 . . . . A 53 VAL CG2 . 34869 1 621 . 1 . 1 57 57 VAL N N 15 111.264 0.037 . 1 . . . . A 53 VAL N . 34869 1 622 . 1 . 1 58 58 GLU H H 1 8.276 0.002 . 1 . . . . A 54 GLU H . 34869 1 623 . 1 . 1 58 58 GLU HA H 1 4.091 0.006 . 1 . . . . A 54 GLU HA . 34869 1 624 . 1 . 1 58 58 GLU HB2 H 1 1.959 0.007 . 2 . . . . A 54 GLU HB2 . 34869 1 625 . 1 . 1 58 58 GLU HB3 H 1 1.926 0.000 . 2 . . . . A 54 GLU HB3 . 34869 1 626 . 1 . 1 58 58 GLU HG2 H 1 2.289 0.007 . 2 . . . . A 54 GLU HG2 . 34869 1 627 . 1 . 1 58 58 GLU HG3 H 1 2.203 0.000 . 2 . . . . A 54 GLU HG3 . 34869 1 628 . 1 . 1 58 58 GLU CA C 13 57.340 0.000 . 1 . . . . A 54 GLU CA . 34869 1 629 . 1 . 1 58 58 GLU CB C 13 29.446 0.011 . 1 . . . . A 54 GLU CB . 34869 1 630 . 1 . 1 58 58 GLU CG C 13 36.625 0.000 . 1 . . . . A 54 GLU CG . 34869 1 631 . 1 . 1 58 58 GLU N N 15 121.274 0.029 . 1 . . . . A 54 GLU N . 34869 1 632 . 1 . 1 59 59 VAL H H 1 8.121 0.005 . 1 . . . . A 55 VAL H . 34869 1 633 . 1 . 1 59 59 VAL HA H 1 4.567 0.003 . 1 . . . . A 55 VAL HA . 34869 1 634 . 1 . 1 59 59 VAL HB H 1 2.345 0.004 . 1 . . . . A 55 VAL HB . 34869 1 635 . 1 . 1 59 59 VAL HG11 H 1 0.996 0.010 . 2 . . . . A 55 VAL HG11 . 34869 1 636 . 1 . 1 59 59 VAL HG12 H 1 0.996 0.010 . 2 . . . . A 55 VAL HG12 . 34869 1 637 . 1 . 1 59 59 VAL HG13 H 1 0.996 0.010 . 2 . . . . A 55 VAL HG13 . 34869 1 638 . 1 . 1 59 59 VAL HG21 H 1 0.977 0.012 . 2 . . . . A 55 VAL HG21 . 34869 1 639 . 1 . 1 59 59 VAL HG22 H 1 0.977 0.012 . 2 . . . . A 55 VAL HG22 . 34869 1 640 . 1 . 1 59 59 VAL HG23 H 1 0.977 0.012 . 2 . . . . A 55 VAL HG23 . 34869 1 641 . 1 . 1 59 59 VAL CA C 13 61.928 0.000 . 1 . . . . A 55 VAL CA . 34869 1 642 . 1 . 1 59 59 VAL CB C 13 34.278 0.000 . 1 . . . . A 55 VAL CB . 34869 1 643 . 1 . 1 59 59 VAL CG1 C 13 21.923 0.000 . 2 . . . . A 55 VAL CG1 . 34869 1 644 . 1 . 1 59 59 VAL CG2 C 13 21.118 0.000 . 2 . . . . A 55 VAL CG2 . 34869 1 645 . 1 . 1 59 59 VAL N N 15 125.276 0.026 . 1 . . . . A 55 VAL N . 34869 1 646 . 1 . 1 60 60 SER H H 1 9.983 0.003 . 1 . . . . A 56 SER H . 34869 1 647 . 1 . 1 60 60 SER HA H 1 5.039 0.002 . 1 . . . . A 56 SER HA . 34869 1 648 . 1 . 1 60 60 SER HB2 H 1 3.977 0.005 . 2 . . . . A 56 SER HB2 . 34869 1 649 . 1 . 1 60 60 SER HB3 H 1 4.336 0.012 . 2 . . . . A 56 SER HB3 . 34869 1 650 . 1 . 1 60 60 SER CA C 13 56.095 0.000 . 1 . . . . A 56 SER CA . 34869 1 651 . 1 . 1 60 60 SER CB C 13 67.234 0.011 . 1 . . . . A 56 SER CB . 34869 1 652 . 1 . 1 60 60 SER N N 15 123.636 0.023 . 1 . . . . A 56 SER N . 34869 1 653 . 1 . 1 61 61 THR H H 1 8.860 0.001 . 1 . . . . A 57 THR H . 34869 1 654 . 1 . 1 61 61 THR HA H 1 3.597 0.002 . 1 . . . . A 57 THR HA . 34869 1 655 . 1 . 1 61 61 THR HB H 1 4.104 0.003 . 1 . . . . A 57 THR HB . 34869 1 656 . 1 . 1 61 61 THR HG21 H 1 1.255 0.003 . 1 . . . . A 57 THR HG21 . 34869 1 657 . 1 . 1 61 61 THR HG22 H 1 1.255 0.003 . 1 . . . . A 57 THR HG22 . 34869 1 658 . 1 . 1 61 61 THR HG23 H 1 1.255 0.003 . 1 . . . . A 57 THR HG23 . 34869 1 659 . 1 . 1 61 61 THR CA C 13 66.843 0.000 . 1 . . . . A 57 THR CA . 34869 1 660 . 1 . 1 61 61 THR CB C 13 67.947 0.000 . 1 . . . . A 57 THR CB . 34869 1 661 . 1 . 1 61 61 THR CG2 C 13 23.560 0.000 . 1 . . . . A 57 THR CG2 . 34869 1 662 . 1 . 1 61 61 THR N N 15 115.953 0.027 . 1 . . . . A 57 THR N . 34869 1 663 . 1 . 1 62 62 GLU H H 1 8.282 0.004 . 1 . . . . A 58 GLU H . 34869 1 664 . 1 . 1 62 62 GLU HA H 1 3.973 0.006 . 1 . . . . A 58 GLU HA . 34869 1 665 . 1 . 1 62 62 GLU HB2 H 1 2.000 0.009 . 2 . . . . A 58 GLU HB2 . 34869 1 666 . 1 . 1 62 62 GLU HB3 H 1 1.912 0.000 . 2 . . . . A 58 GLU HB3 . 34869 1 667 . 1 . 1 62 62 GLU HG2 H 1 2.270 0.005 . 2 . . . . A 58 GLU HG2 . 34869 1 668 . 1 . 1 62 62 GLU HG3 H 1 2.310 0.000 . 2 . . . . A 58 GLU HG3 . 34869 1 669 . 1 . 1 62 62 GLU CA C 13 60.118 0.000 . 1 . . . . A 58 GLU CA . 34869 1 670 . 1 . 1 62 62 GLU CB C 13 29.164 0.004 . 1 . . . . A 58 GLU CB . 34869 1 671 . 1 . 1 62 62 GLU CG C 13 37.001 0.011 . 1 . . . . A 58 GLU CG . 34869 1 672 . 1 . 1 62 62 GLU N N 15 119.796 0.050 . 1 . . . . A 58 GLU N . 34869 1 673 . 1 . 1 63 63 ASP H H 1 7.692 0.004 . 1 . . . . A 59 ASP H . 34869 1 674 . 1 . 1 63 63 ASP HA H 1 4.109 0.004 . 1 . . . . A 59 ASP HA . 34869 1 675 . 1 . 1 63 63 ASP HB2 H 1 1.773 0.008 . 2 . . . . A 59 ASP HB2 . 34869 1 676 . 1 . 1 63 63 ASP HB3 H 1 2.959 0.003 . 2 . . . . A 59 ASP HB3 . 34869 1 677 . 1 . 1 63 63 ASP CA C 13 57.753 0.000 . 1 . . . . A 59 ASP CA . 34869 1 678 . 1 . 1 63 63 ASP CB C 13 41.210 0.032 . 1 . . . . A 59 ASP CB . 34869 1 679 . 1 . 1 63 63 ASP N N 15 119.212 0.029 . 1 . . . . A 59 ASP N . 34869 1 680 . 1 . 1 64 64 VAL H H 1 7.291 0.004 . 1 . . . . A 60 VAL H . 34869 1 681 . 1 . 1 64 64 VAL HA H 1 3.313 0.001 . 1 . . . . A 60 VAL HA . 34869 1 682 . 1 . 1 64 64 VAL HB H 1 1.902 0.001 . 1 . . . . A 60 VAL HB . 34869 1 683 . 1 . 1 64 64 VAL HG11 H 1 0.760 0.003 . 2 . . . . A 60 VAL HG11 . 34869 1 684 . 1 . 1 64 64 VAL HG12 H 1 0.760 0.003 . 2 . . . . A 60 VAL HG12 . 34869 1 685 . 1 . 1 64 64 VAL HG13 H 1 0.760 0.003 . 2 . . . . A 60 VAL HG13 . 34869 1 686 . 1 . 1 64 64 VAL HG21 H 1 -0.027 0.009 . 2 . . . . A 60 VAL HG21 . 34869 1 687 . 1 . 1 64 64 VAL HG22 H 1 -0.027 0.009 . 2 . . . . A 60 VAL HG22 . 34869 1 688 . 1 . 1 64 64 VAL HG23 H 1 -0.027 0.009 . 2 . . . . A 60 VAL HG23 . 34869 1 689 . 1 . 1 64 64 VAL CA C 13 66.113 0.000 . 1 . . . . A 60 VAL CA . 34869 1 690 . 1 . 1 64 64 VAL CB C 13 31.005 0.000 . 1 . . . . A 60 VAL CB . 34869 1 691 . 1 . 1 64 64 VAL CG1 C 13 21.699 0.000 . 2 . . . . A 60 VAL CG1 . 34869 1 692 . 1 . 1 64 64 VAL CG2 C 13 21.771 0.000 . 2 . . . . A 60 VAL CG2 . 34869 1 693 . 1 . 1 64 64 VAL N N 15 119.394 0.000 . 1 . . . . A 60 VAL N . 34869 1 694 . 1 . 1 65 65 PHE H H 1 7.373 0.001 . 1 . . . . A 61 PHE H . 34869 1 695 . 1 . 1 65 65 PHE HA H 1 4.097 0.004 . 1 . . . . A 61 PHE HA . 34869 1 696 . 1 . 1 65 65 PHE HB2 H 1 2.926 0.005 . 1 . . . . A 61 PHE HB2 . 34869 1 697 . 1 . 1 65 65 PHE HB3 H 1 2.926 0.005 . 1 . . . . A 61 PHE HB3 . 34869 1 698 . 1 . 1 65 65 PHE HD1 H 1 7.027 0.004 . 1 . . . . A 61 PHE HD1 . 34869 1 699 . 1 . 1 65 65 PHE HD2 H 1 7.027 0.004 . 1 . . . . A 61 PHE HD2 . 34869 1 700 . 1 . 1 65 65 PHE CA C 13 60.426 0.000 . 1 . . . . A 61 PHE CA . 34869 1 701 . 1 . 1 65 65 PHE CB C 13 39.074 0.000 . 1 . . . . A 61 PHE CB . 34869 1 702 . 1 . 1 65 65 PHE CD1 C 13 131.463 0.000 . 1 . . . . A 61 PHE CD1 . 34869 1 703 . 1 . 1 65 65 PHE CD2 C 13 131.463 0.000 . 1 . . . . A 61 PHE CD2 . 34869 1 704 . 1 . 1 65 65 PHE N N 15 115.002 0.026 . 1 . . . . A 61 PHE N . 34869 1 705 . 1 . 1 66 66 ARG H H 1 7.916 0.002 . 1 . . . . A 62 ARG H . 34869 1 706 . 1 . 1 66 66 ARG HA H 1 3.824 0.001 . 1 . . . . A 62 ARG HA . 34869 1 707 . 1 . 1 66 66 ARG HB2 H 1 1.267 0.006 . 2 . . . . A 62 ARG HB2 . 34869 1 708 . 1 . 1 66 66 ARG HB3 H 1 1.556 0.010 . 2 . . . . A 62 ARG HB3 . 34869 1 709 . 1 . 1 66 66 ARG HG2 H 1 1.153 0.000 . 2 . . . . A 62 ARG HG2 . 34869 1 710 . 1 . 1 66 66 ARG HG3 H 1 1.411 0.000 . 2 . . . . A 62 ARG HG3 . 34869 1 711 . 1 . 1 66 66 ARG HD2 H 1 3.075 0.000 . 2 . . . . A 62 ARG HD2 . 34869 1 712 . 1 . 1 66 66 ARG HD3 H 1 2.988 0.000 . 2 . . . . A 62 ARG HD3 . 34869 1 713 . 1 . 1 66 66 ARG CA C 13 58.226 0.000 . 1 . . . . A 62 ARG CA . 34869 1 714 . 1 . 1 66 66 ARG CB C 13 30.910 0.007 . 1 . . . . A 62 ARG CB . 34869 1 715 . 1 . 1 66 66 ARG CG C 13 28.004 0.013 . 1 . . . . A 62 ARG CG . 34869 1 716 . 1 . 1 66 66 ARG CD C 13 43.126 0.006 . 1 . . . . A 62 ARG CD . 34869 1 717 . 1 . 1 66 66 ARG N N 15 116.550 0.025 . 1 . . . . A 62 ARG N . 34869 1 718 . 1 . 1 67 67 HIS H H 1 7.586 0.009 . 1 . . . . A 63 HIS H . 34869 1 719 . 1 . 1 67 67 HIS HA H 1 4.690 0.013 . 1 . . . . A 63 HIS HA . 34869 1 720 . 1 . 1 67 67 HIS HB2 H 1 3.017 0.007 . 2 . . . . A 63 HIS HB2 . 34869 1 721 . 1 . 1 67 67 HIS HB3 H 1 2.520 0.011 . 2 . . . . A 63 HIS HB3 . 34869 1 722 . 1 . 1 67 67 HIS HD2 H 1 6.627 0.005 . 1 . . . . A 63 HIS HD2 . 34869 1 723 . 1 . 1 67 67 HIS CA C 13 55.041 0.000 . 1 . . . . A 63 HIS CA . 34869 1 724 . 1 . 1 67 67 HIS CB C 13 28.291 0.006 . 1 . . . . A 63 HIS CB . 34869 1 725 . 1 . 1 67 67 HIS CD2 C 13 121.717 0.000 . 1 . . . . A 63 HIS CD2 . 34869 1 726 . 1 . 1 67 67 HIS N N 15 120.110 0.030 . 1 . . . . A 63 HIS N . 34869 1 727 . 1 . 1 68 68 GLY H H 1 7.244 0.003 . 1 . . . . A 64 GLY H . 34869 1 728 . 1 . 1 68 68 GLY HA2 H 1 4.391 0.013 . 2 . . . . A 64 GLY HA2 . 34869 1 729 . 1 . 1 68 68 GLY HA3 H 1 3.717 0.025 . 2 . . . . A 64 GLY HA3 . 34869 1 730 . 1 . 1 68 68 GLY CA C 13 49.439 0.001 . 1 . . . . A 64 GLY CA . 34869 1 731 . 1 . 1 68 68 GLY N N 15 103.772 0.065 . 1 . . . . A 64 GLY N . 34869 1 732 . 1 . 1 69 69 THR H H 1 7.719 0.002 . 1 . . . . A 65 THR H . 34869 1 733 . 1 . 1 69 69 THR HA H 1 3.795 0.003 . 1 . . . . A 65 THR HA . 34869 1 734 . 1 . 1 69 69 THR HB H 1 4.129 0.019 . 1 . . . . A 65 THR HB . 34869 1 735 . 1 . 1 69 69 THR HG21 H 1 0.819 0.005 . 1 . . . . A 65 THR HG21 . 34869 1 736 . 1 . 1 69 69 THR HG22 H 1 0.819 0.005 . 1 . . . . A 65 THR HG22 . 34869 1 737 . 1 . 1 69 69 THR HG23 H 1 0.819 0.005 . 1 . . . . A 65 THR HG23 . 34869 1 738 . 1 . 1 69 69 THR CA C 13 58.344 0.000 . 1 . . . . A 65 THR CA . 34869 1 739 . 1 . 1 69 69 THR CB C 13 73.354 0.000 . 1 . . . . A 65 THR CB . 34869 1 740 . 1 . 1 69 69 THR CG2 C 13 21.642 0.000 . 1 . . . . A 65 THR CG2 . 34869 1 741 . 1 . 1 69 69 THR N N 15 111.041 0.025 . 1 . . . . A 65 THR N . 34869 1 742 . 1 . 1 70 70 VAL H H 1 10.076 0.003 . 1 . . . . A 66 VAL H . 34869 1 743 . 1 . 1 70 70 VAL HA H 1 3.576 0.006 . 1 . . . . A 66 VAL HA . 34869 1 744 . 1 . 1 70 70 VAL HB H 1 2.271 0.004 . 1 . . . . A 66 VAL HB . 34869 1 745 . 1 . 1 70 70 VAL HG11 H 1 1.322 0.017 . 2 . . . . A 66 VAL HG11 . 34869 1 746 . 1 . 1 70 70 VAL HG12 H 1 1.322 0.017 . 2 . . . . A 66 VAL HG12 . 34869 1 747 . 1 . 1 70 70 VAL HG13 H 1 1.322 0.017 . 2 . . . . A 66 VAL HG13 . 34869 1 748 . 1 . 1 70 70 VAL HG21 H 1 1.105 0.004 . 2 . . . . A 66 VAL HG21 . 34869 1 749 . 1 . 1 70 70 VAL HG22 H 1 1.105 0.004 . 2 . . . . A 66 VAL HG22 . 34869 1 750 . 1 . 1 70 70 VAL HG23 H 1 1.105 0.004 . 2 . . . . A 66 VAL HG23 . 34869 1 751 . 1 . 1 70 70 VAL CA C 13 67.555 0.000 . 1 . . . . A 66 VAL CA . 34869 1 752 . 1 . 1 70 70 VAL CB C 13 30.730 0.000 . 1 . . . . A 66 VAL CB . 34869 1 753 . 1 . 1 70 70 VAL CG1 C 13 23.638 0.000 . 2 . . . . A 66 VAL CG1 . 34869 1 754 . 1 . 1 70 70 VAL CG2 C 13 22.776 0.000 . 2 . . . . A 66 VAL CG2 . 34869 1 755 . 1 . 1 70 70 VAL N N 15 123.608 0.021 . 1 . . . . A 66 VAL N . 34869 1 756 . 1 . 1 71 71 GLU H H 1 8.338 0.003 . 1 . . . . A 67 GLU H . 34869 1 757 . 1 . 1 71 71 GLU HA H 1 3.923 0.003 . 1 . . . . A 67 GLU HA . 34869 1 758 . 1 . 1 71 71 GLU HB2 H 1 1.978 0.008 . 2 . . . . A 67 GLU HB2 . 34869 1 759 . 1 . 1 71 71 GLU HB3 H 1 1.887 0.000 . 2 . . . . A 67 GLU HB3 . 34869 1 760 . 1 . 1 71 71 GLU HG2 H 1 2.078 0.000 . 2 . . . . A 67 GLU HG2 . 34869 1 761 . 1 . 1 71 71 GLU HG3 H 1 2.351 0.000 . 2 . . . . A 67 GLU HG3 . 34869 1 762 . 1 . 1 71 71 GLU CA C 13 59.971 0.000 . 1 . . . . A 67 GLU CA . 34869 1 763 . 1 . 1 71 71 GLU CB C 13 30.309 0.081 . 1 . . . . A 67 GLU CB . 34869 1 764 . 1 . 1 71 71 GLU CG C 13 36.092 0.001 . 1 . . . . A 67 GLU CG . 34869 1 765 . 1 . 1 71 71 GLU N N 15 117.214 0.025 . 1 . . . . A 67 GLU N . 34869 1 766 . 1 . 1 72 72 GLN H H 1 7.789 0.005 . 1 . . . . A 68 GLN H . 34869 1 767 . 1 . 1 72 72 GLN HA H 1 4.076 0.001 . 1 . . . . A 68 GLN HA . 34869 1 768 . 1 . 1 72 72 GLN HB2 H 1 2.334 0.005 . 2 . . . . A 68 GLN HB2 . 34869 1 769 . 1 . 1 72 72 GLN HB3 H 1 1.902 0.007 . 2 . . . . A 68 GLN HB3 . 34869 1 770 . 1 . 1 72 72 GLN HG2 H 1 2.452 0.007 . 1 . . . . A 68 GLN HG2 . 34869 1 771 . 1 . 1 72 72 GLN HG3 H 1 2.452 0.007 . 1 . . . . A 68 GLN HG3 . 34869 1 772 . 1 . 1 72 72 GLN CA C 13 58.719 0.000 . 1 . . . . A 68 GLN CA . 34869 1 773 . 1 . 1 72 72 GLN CB C 13 29.716 0.018 . 1 . . . . A 68 GLN CB . 34869 1 774 . 1 . 1 72 72 GLN CG C 13 34.956 0.000 . 1 . . . . A 68 GLN CG . 34869 1 775 . 1 . 1 72 72 GLN N N 15 116.311 0.026 . 1 . . . . A 68 GLN N . 34869 1 776 . 1 . 1 73 73 LEU H H 1 9.213 0.002 . 1 . . . . A 69 LEU H . 34869 1 777 . 1 . 1 73 73 LEU HA H 1 4.224 0.006 . 1 . . . . A 69 LEU HA . 34869 1 778 . 1 . 1 73 73 LEU HB2 H 1 1.959 0.016 . 2 . . . . A 69 LEU HB2 . 34869 1 779 . 1 . 1 73 73 LEU HB3 H 1 2.376 0.011 . 2 . . . . A 69 LEU HB3 . 34869 1 780 . 1 . 1 73 73 LEU HG H 1 1.693 0.010 . 1 . . . . A 69 LEU HG . 34869 1 781 . 1 . 1 73 73 LEU HD11 H 1 0.863 0.000 . 2 . . . . A 69 LEU HD11 . 34869 1 782 . 1 . 1 73 73 LEU HD12 H 1 0.863 0.000 . 2 . . . . A 69 LEU HD12 . 34869 1 783 . 1 . 1 73 73 LEU HD13 H 1 0.863 0.000 . 2 . . . . A 69 LEU HD13 . 34869 1 784 . 1 . 1 73 73 LEU HD21 H 1 0.960 0.026 . 2 . . . . A 69 LEU HD21 . 34869 1 785 . 1 . 1 73 73 LEU HD22 H 1 0.960 0.026 . 2 . . . . A 69 LEU HD22 . 34869 1 786 . 1 . 1 73 73 LEU HD23 H 1 0.960 0.026 . 2 . . . . A 69 LEU HD23 . 34869 1 787 . 1 . 1 73 73 LEU CA C 13 57.772 0.000 . 1 . . . . A 69 LEU CA . 34869 1 788 . 1 . 1 73 73 LEU CB C 13 41.627 0.014 . 1 . . . . A 69 LEU CB . 34869 1 789 . 1 . 1 73 73 LEU CG C 13 27.306 0.000 . 1 . . . . A 69 LEU CG . 34869 1 790 . 1 . 1 73 73 LEU CD1 C 13 28.189 0.000 . 2 . . . . A 69 LEU CD1 . 34869 1 791 . 1 . 1 73 73 LEU CD2 C 13 22.836 0.000 . 2 . . . . A 69 LEU CD2 . 34869 1 792 . 1 . 1 73 73 LEU N N 15 124.830 0.030 . 1 . . . . A 69 LEU N . 34869 1 793 . 1 . 1 74 74 ALA H H 1 9.085 0.006 . 1 . . . . A 70 ALA H . 34869 1 794 . 1 . 1 74 74 ALA HA H 1 3.780 0.005 . 1 . . . . A 70 ALA HA . 34869 1 795 . 1 . 1 74 74 ALA HB1 H 1 1.396 0.007 . 1 . . . . A 70 ALA HB1 . 34869 1 796 . 1 . 1 74 74 ALA HB2 H 1 1.396 0.007 . 1 . . . . A 70 ALA HB2 . 34869 1 797 . 1 . 1 74 74 ALA HB3 H 1 1.396 0.007 . 1 . . . . A 70 ALA HB3 . 34869 1 798 . 1 . 1 74 74 ALA CA C 13 55.578 0.000 . 1 . . . . A 70 ALA CA . 34869 1 799 . 1 . 1 74 74 ALA CB C 13 18.560 0.000 . 1 . . . . A 70 ALA CB . 34869 1 800 . 1 . 1 74 74 ALA N N 15 120.311 0.058 . 1 . . . . A 70 ALA N . 34869 1 801 . 1 . 1 75 75 ARG H H 1 7.278 0.001 . 1 . . . . A 71 ARG H . 34869 1 802 . 1 . 1 75 75 ARG HA H 1 4.076 0.004 . 1 . . . . A 71 ARG HA . 34869 1 803 . 1 . 1 75 75 ARG HB2 H 1 1.939 0.004 . 1 . . . . A 71 ARG HB2 . 34869 1 804 . 1 . 1 75 75 ARG HB3 H 1 1.939 0.004 . 1 . . . . A 71 ARG HB3 . 34869 1 805 . 1 . 1 75 75 ARG HG2 H 1 1.746 0.016 . 2 . . . . A 71 ARG HG2 . 34869 1 806 . 1 . 1 75 75 ARG HG3 H 1 1.721 0.020 . 2 . . . . A 71 ARG HG3 . 34869 1 807 . 1 . 1 75 75 ARG HD2 H 1 3.242 0.002 . 1 . . . . A 71 ARG HD2 . 34869 1 808 . 1 . 1 75 75 ARG HD3 H 1 3.242 0.002 . 1 . . . . A 71 ARG HD3 . 34869 1 809 . 1 . 1 75 75 ARG CA C 13 59.183 0.000 . 1 . . . . A 71 ARG CA . 34869 1 810 . 1 . 1 75 75 ARG CB C 13 29.800 0.000 . 1 . . . . A 71 ARG CB . 34869 1 811 . 1 . 1 75 75 ARG CG C 13 27.211 0.006 . 1 . . . . A 71 ARG CG . 34869 1 812 . 1 . 1 75 75 ARG CD C 13 43.486 0.000 . 1 . . . . A 71 ARG CD . 34869 1 813 . 1 . 1 75 75 ARG N N 15 117.092 0.024 . 1 . . . . A 71 ARG N . 34869 1 814 . 1 . 1 76 76 PHE H H 1 7.769 0.003 . 1 . . . . A 72 PHE H . 34869 1 815 . 1 . 1 76 76 PHE HA H 1 4.123 0.006 . 1 . . . . A 72 PHE HA . 34869 1 816 . 1 . 1 76 76 PHE HB2 H 1 3.052 0.008 . 2 . . . . A 72 PHE HB2 . 34869 1 817 . 1 . 1 76 76 PHE HB3 H 1 2.296 0.004 . 2 . . . . A 72 PHE HB3 . 34869 1 818 . 1 . 1 76 76 PHE HD1 H 1 6.889 0.000 . 1 . . . . A 72 PHE HD1 . 34869 1 819 . 1 . 1 76 76 PHE HD2 H 1 6.889 0.000 . 1 . . . . A 72 PHE HD2 . 34869 1 820 . 1 . 1 76 76 PHE HE1 H 1 7.283 0.000 . 1 . . . . A 72 PHE HE1 . 34869 1 821 . 1 . 1 76 76 PHE HE2 H 1 7.283 0.000 . 1 . . . . A 72 PHE HE2 . 34869 1 822 . 1 . 1 76 76 PHE HZ H 1 7.352 0.000 . 1 . . . . A 72 PHE HZ . 34869 1 823 . 1 . 1 76 76 PHE CA C 13 60.852 0.000 . 1 . . . . A 72 PHE CA . 34869 1 824 . 1 . 1 76 76 PHE CB C 13 37.979 0.031 . 1 . . . . A 72 PHE CB . 34869 1 825 . 1 . 1 76 76 PHE CE1 C 13 131.117 0.000 . 1 . . . . A 72 PHE CE1 . 34869 1 826 . 1 . 1 76 76 PHE CE2 C 13 131.117 0.000 . 1 . . . . A 72 PHE CE2 . 34869 1 827 . 1 . 1 76 76 PHE CZ C 13 131.079 0.000 . 1 . . . . A 72 PHE CZ . 34869 1 828 . 1 . 1 76 76 PHE N N 15 120.586 0.031 . 1 . . . . A 72 PHE N . 34869 1 829 . 1 . 1 77 77 VAL H H 1 8.165 0.009 . 1 . . . . A 73 VAL H . 34869 1 830 . 1 . 1 77 77 VAL HA H 1 2.901 0.000 . 1 . . . . A 73 VAL HA . 34869 1 831 . 1 . 1 77 77 VAL HB H 1 1.818 0.005 . 1 . . . . A 73 VAL HB . 34869 1 832 . 1 . 1 77 77 VAL HG11 H 1 0.047 0.000 . 2 . . . . A 73 VAL HG11 . 34869 1 833 . 1 . 1 77 77 VAL HG12 H 1 0.047 0.000 . 2 . . . . A 73 VAL HG12 . 34869 1 834 . 1 . 1 77 77 VAL HG13 H 1 0.047 0.000 . 2 . . . . A 73 VAL HG13 . 34869 1 835 . 1 . 1 77 77 VAL HG21 H 1 0.766 0.013 . 2 . . . . A 73 VAL HG21 . 34869 1 836 . 1 . 1 77 77 VAL HG22 H 1 0.766 0.013 . 2 . . . . A 73 VAL HG22 . 34869 1 837 . 1 . 1 77 77 VAL HG23 H 1 0.766 0.013 . 2 . . . . A 73 VAL HG23 . 34869 1 838 . 1 . 1 77 77 VAL CA C 13 67.144 0.000 . 1 . . . . A 73 VAL CA . 34869 1 839 . 1 . 1 77 77 VAL CB C 13 30.876 0.000 . 1 . . . . A 73 VAL CB . 34869 1 840 . 1 . 1 77 77 VAL CG1 C 13 20.645 0.000 . 2 . . . . A 73 VAL CG1 . 34869 1 841 . 1 . 1 77 77 VAL CG2 C 13 22.076 0.000 . 2 . . . . A 73 VAL CG2 . 34869 1 842 . 1 . 1 77 77 VAL N N 15 122.107 0.026 . 1 . . . . A 73 VAL N . 34869 1 843 . 1 . 1 78 78 GLU HA H 1 3.634 0.000 . 1 . . . . A 74 GLU HA . 34869 1 844 . 1 . 1 78 78 GLU HB2 H 1 2.058 0.000 . 2 . . . . A 74 GLU HB2 . 34869 1 845 . 1 . 1 78 78 GLU HB3 H 1 2.110 0.000 . 2 . . . . A 74 GLU HB3 . 34869 1 846 . 1 . 1 78 78 GLU HG2 H 1 2.130 0.000 . 2 . . . . A 74 GLU HG2 . 34869 1 847 . 1 . 1 78 78 GLU HG3 H 1 2.211 0.000 . 2 . . . . A 74 GLU HG3 . 34869 1 848 . 1 . 1 78 78 GLU CA C 13 59.746 0.000 . 1 . . . . A 74 GLU CA . 34869 1 849 . 1 . 1 78 78 GLU CB C 13 29.946 0.018 . 1 . . . . A 74 GLU CB . 34869 1 850 . 1 . 1 78 78 GLU CG C 13 36.157 0.006 . 1 . . . . A 74 GLU CG . 34869 1 851 . 1 . 1 79 79 GLN H H 1 8.242 0.000 . 1 . . . . A 75 GLN H . 34869 1 852 . 1 . 1 79 79 GLN HA H 1 4.054 0.000 . 1 . . . . A 75 GLN HA . 34869 1 853 . 1 . 1 79 79 GLN HB2 H 1 2.031 0.019 . 2 . . . . A 75 GLN HB2 . 34869 1 854 . 1 . 1 79 79 GLN HB3 H 1 2.054 0.014 . 2 . . . . A 75 GLN HB3 . 34869 1 855 . 1 . 1 79 79 GLN HG2 H 1 2.511 0.000 . 2 . . . . A 75 GLN HG2 . 34869 1 856 . 1 . 1 79 79 GLN HG3 H 1 2.375 0.000 . 2 . . . . A 75 GLN HG3 . 34869 1 857 . 1 . 1 79 79 GLN CA C 13 58.064 0.000 . 1 . . . . A 75 GLN CA . 34869 1 858 . 1 . 1 79 79 GLN CB C 13 28.386 0.002 . 1 . . . . A 75 GLN CB . 34869 1 859 . 1 . 1 79 79 GLN CG C 13 34.198 0.000 . 1 . . . . A 75 GLN CG . 34869 1 860 . 1 . 1 79 79 GLN N N 15 116.905 0.000 . 1 . . . . A 75 GLN N . 34869 1 861 . 1 . 1 80 80 SER H H 1 7.791 0.005 . 1 . . . . A 76 SER H . 34869 1 862 . 1 . 1 80 80 SER HA H 1 4.080 0.008 . 1 . . . . A 76 SER HA . 34869 1 863 . 1 . 1 80 80 SER HB2 H 1 3.616 0.003 . 2 . . . . A 76 SER HB2 . 34869 1 864 . 1 . 1 80 80 SER HB3 H 1 3.538 0.000 . 2 . . . . A 76 SER HB3 . 34869 1 865 . 1 . 1 80 80 SER CA C 13 60.776 0.000 . 1 . . . . A 76 SER CA . 34869 1 866 . 1 . 1 80 80 SER CB C 13 63.083 0.007 . 1 . . . . A 76 SER CB . 34869 1 867 . 1 . 1 80 80 SER N N 15 115.289 0.037 . 1 . . . . A 76 SER N . 34869 1 868 . 1 . 1 81 81 ARG H H 1 7.718 0.007 . 1 . . . . A 77 ARG H . 34869 1 869 . 1 . 1 81 81 ARG HA H 1 4.074 0.000 . 1 . . . . A 77 ARG HA . 34869 1 870 . 1 . 1 81 81 ARG HB2 H 1 1.813 0.002 . 2 . . . . A 77 ARG HB2 . 34869 1 871 . 1 . 1 81 81 ARG HB3 H 1 1.880 0.000 . 2 . . . . A 77 ARG HB3 . 34869 1 872 . 1 . 1 81 81 ARG HG2 H 1 1.628 0.000 . 2 . . . . A 77 ARG HG2 . 34869 1 873 . 1 . 1 81 81 ARG HG3 H 1 1.756 0.000 . 2 . . . . A 77 ARG HG3 . 34869 1 874 . 1 . 1 81 81 ARG HD2 H 1 3.168 0.000 . 2 . . . . A 77 ARG HD2 . 34869 1 875 . 1 . 1 81 81 ARG HD3 H 1 3.034 0.000 . 2 . . . . A 77 ARG HD3 . 34869 1 876 . 1 . 1 81 81 ARG CA C 13 57.679 0.000 . 1 . . . . A 77 ARG CA . 34869 1 877 . 1 . 1 81 81 ARG CB C 13 30.799 0.017 . 1 . . . . A 77 ARG CB . 34869 1 878 . 1 . 1 81 81 ARG CG C 13 26.900 0.007 . 1 . . . . A 77 ARG CG . 34869 1 879 . 1 . 1 81 81 ARG CD C 13 44.090 0.005 . 1 . . . . A 77 ARG CD . 34869 1 880 . 1 . 1 81 81 ARG N N 15 120.492 0.034 . 1 . . . . A 77 ARG N . 34869 1 881 . 1 . 1 82 82 ASP H H 1 7.925 0.017 . 1 . . . . A 78 ASP H . 34869 1 882 . 1 . 1 82 82 ASP HA H 1 4.639 0.000 . 1 . . . . A 78 ASP HA . 34869 1 883 . 1 . 1 82 82 ASP HB2 H 1 2.786 0.014 . 2 . . . . A 78 ASP HB2 . 34869 1 884 . 1 . 1 82 82 ASP HB3 H 1 2.700 0.010 . 2 . . . . A 78 ASP HB3 . 34869 1 885 . 1 . 1 82 82 ASP CA C 13 55.193 0.000 . 1 . . . . A 78 ASP CA . 34869 1 886 . 1 . 1 82 82 ASP CB C 13 41.047 0.012 . 1 . . . . A 78 ASP CB . 34869 1 887 . 1 . 1 82 82 ASP N N 15 119.885 0.042 . 1 . . . . A 78 ASP N . 34869 1 888 . 1 . 1 83 83 THR H H 1 8.058 0.002 . 1 . . . . A 79 THR H . 34869 1 889 . 1 . 1 83 83 THR HA H 1 4.290 0.010 . 1 . . . . A 79 THR HA . 34869 1 890 . 1 . 1 83 83 THR HB H 1 4.337 0.000 . 1 . . . . A 79 THR HB . 34869 1 891 . 1 . 1 83 83 THR HG21 H 1 1.253 0.010 . 1 . . . . A 79 THR HG21 . 34869 1 892 . 1 . 1 83 83 THR HG22 H 1 1.253 0.010 . 1 . . . . A 79 THR HG22 . 34869 1 893 . 1 . 1 83 83 THR HG23 H 1 1.253 0.010 . 1 . . . . A 79 THR HG23 . 34869 1 894 . 1 . 1 83 83 THR CA C 13 62.931 0.000 . 1 . . . . A 79 THR CA . 34869 1 895 . 1 . 1 83 83 THR CB C 13 69.606 0.000 . 1 . . . . A 79 THR CB . 34869 1 896 . 1 . 1 83 83 THR CG2 C 13 21.634 0.000 . 1 . . . . A 79 THR CG2 . 34869 1 897 . 1 . 1 83 83 THR N N 15 113.758 0.040 . 1 . . . . A 79 THR N . 34869 1 898 . 1 . 1 84 84 GLY H H 1 8.314 0.002 . 1 . . . . A 80 GLY H . 34869 1 899 . 1 . 1 84 84 GLY HA2 H 1 3.985 0.004 . 1 . . . . A 80 GLY HA2 . 34869 1 900 . 1 . 1 84 84 GLY HA3 H 1 3.985 0.004 . 1 . . . . A 80 GLY HA3 . 34869 1 901 . 1 . 1 84 84 GLY CA C 13 45.713 0.000 . 1 . . . . A 80 GLY CA . 34869 1 902 . 1 . 1 84 84 GLY N N 15 110.465 0.021 . 1 . . . . A 80 GLY N . 34869 1 903 . 1 . 1 85 85 ARG H H 1 7.927 0.004 . 1 . . . . A 81 ARG H . 34869 1 904 . 1 . 1 85 85 ARG HA H 1 4.331 0.001 . 1 . . . . A 81 ARG HA . 34869 1 905 . 1 . 1 85 85 ARG HB2 H 1 1.849 0.000 . 2 . . . . A 81 ARG HB2 . 34869 1 906 . 1 . 1 85 85 ARG HB3 H 1 1.762 0.000 . 2 . . . . A 81 ARG HB3 . 34869 1 907 . 1 . 1 85 85 ARG HG2 H 1 1.596 0.000 . 2 . . . . A 81 ARG HG2 . 34869 1 908 . 1 . 1 85 85 ARG HG3 H 1 1.635 0.000 . 2 . . . . A 81 ARG HG3 . 34869 1 909 . 1 . 1 85 85 ARG HD2 H 1 3.209 0.000 . 1 . . . . A 81 ARG HD2 . 34869 1 910 . 1 . 1 85 85 ARG HD3 H 1 3.209 0.000 . 1 . . . . A 81 ARG HD3 . 34869 1 911 . 1 . 1 85 85 ARG CA C 13 56.000 0.000 . 1 . . . . A 81 ARG CA . 34869 1 912 . 1 . 1 85 85 ARG CB C 13 30.907 0.004 . 1 . . . . A 81 ARG CB . 34869 1 913 . 1 . 1 85 85 ARG CG C 13 27.134 0.005 . 1 . . . . A 81 ARG CG . 34869 1 914 . 1 . 1 85 85 ARG CD C 13 43.396 0.000 . 1 . . . . A 81 ARG CD . 34869 1 915 . 1 . 1 85 85 ARG N N 15 119.658 0.023 . 1 . . . . A 81 ARG N . 34869 1 916 . 1 . 1 86 86 ASN H H 1 8.434 0.000 . 1 . . . . A 82 ASN H . 34869 1 917 . 1 . 1 86 86 ASN HA H 1 4.984 0.000 . 1 . . . . A 82 ASN HA . 34869 1 918 . 1 . 1 86 86 ASN HB2 H 1 2.879 0.000 . 2 . . . . A 82 ASN HB2 . 34869 1 919 . 1 . 1 86 86 ASN HB3 H 1 2.737 0.000 . 2 . . . . A 82 ASN HB3 . 34869 1 920 . 1 . 1 86 86 ASN CA C 13 51.281 0.000 . 1 . . . . A 82 ASN CA . 34869 1 921 . 1 . 1 86 86 ASN CB C 13 38.904 0.002 . 1 . . . . A 82 ASN CB . 34869 1 922 . 1 . 1 86 86 ASN N N 15 120.595 0.000 . 1 . . . . A 82 ASN N . 34869 1 923 . 1 . 1 87 87 PRO HA H 1 4.408 0.000 . 1 . . . . A 83 PRO HA . 34869 1 924 . 1 . 1 87 87 PRO HB2 H 1 2.306 0.000 . 2 . . . . A 83 PRO HB2 . 34869 1 925 . 1 . 1 87 87 PRO HB3 H 1 1.983 0.015 . 2 . . . . A 83 PRO HB3 . 34869 1 926 . 1 . 1 87 87 PRO HG2 H 1 2.001 0.010 . 1 . . . . A 83 PRO HG2 . 34869 1 927 . 1 . 1 87 87 PRO HG3 H 1 2.001 0.010 . 1 . . . . A 83 PRO HG3 . 34869 1 928 . 1 . 1 87 87 PRO HD2 H 1 3.784 0.020 . 2 . . . . A 83 PRO HD2 . 34869 1 929 . 1 . 1 87 87 PRO HD3 H 1 3.763 0.010 . 2 . . . . A 83 PRO HD3 . 34869 1 930 . 1 . 1 87 87 PRO CA C 13 63.622 0.000 . 1 . . . . A 83 PRO CA . 34869 1 931 . 1 . 1 87 87 PRO CB C 13 32.080 0.070 . 1 . . . . A 83 PRO CB . 34869 1 932 . 1 . 1 87 87 PRO CG C 13 27.233 0.000 . 1 . . . . A 83 PRO CG . 34869 1 933 . 1 . 1 87 87 PRO CD C 13 50.791 0.003 . 1 . . . . A 83 PRO CD . 34869 1 934 . 1 . 1 88 88 ALA H H 1 8.245 0.001 . 1 . . . . A 84 ALA H . 34869 1 935 . 1 . 1 88 88 ALA HA H 1 4.303 0.002 . 1 . . . . A 84 ALA HA . 34869 1 936 . 1 . 1 88 88 ALA HB1 H 1 1.390 0.001 . 1 . . . . A 84 ALA HB1 . 34869 1 937 . 1 . 1 88 88 ALA HB2 H 1 1.390 0.001 . 1 . . . . A 84 ALA HB2 . 34869 1 938 . 1 . 1 88 88 ALA HB3 H 1 1.390 0.001 . 1 . . . . A 84 ALA HB3 . 34869 1 939 . 1 . 1 88 88 ALA CA C 13 52.442 0.000 . 1 . . . . A 84 ALA CA . 34869 1 940 . 1 . 1 88 88 ALA CB C 13 19.039 0.000 . 1 . . . . A 84 ALA CB . 34869 1 941 . 1 . 1 88 88 ALA N N 15 122.907 0.032 . 1 . . . . A 84 ALA N . 34869 1 942 . 1 . 1 89 89 ALA H H 1 8.082 0.001 . 1 . . . . A 85 ALA H . 34869 1 943 . 1 . 1 89 89 ALA HA H 1 4.370 0.000 . 1 . . . . A 85 ALA HA . 34869 1 944 . 1 . 1 89 89 ALA HB1 H 1 1.409 0.000 . 1 . . . . A 85 ALA HB1 . 34869 1 945 . 1 . 1 89 89 ALA HB2 H 1 1.409 0.000 . 1 . . . . A 85 ALA HB2 . 34869 1 946 . 1 . 1 89 89 ALA HB3 H 1 1.409 0.000 . 1 . . . . A 85 ALA HB3 . 34869 1 947 . 1 . 1 89 89 ALA CA C 13 52.409 0.000 . 1 . . . . A 85 ALA CA . 34869 1 948 . 1 . 1 89 89 ALA CB C 13 19.268 0.000 . 1 . . . . A 85 ALA CB . 34869 1 949 . 1 . 1 89 89 ALA N N 15 122.704 0.034 . 1 . . . . A 85 ALA N . 34869 1 950 . 1 . 1 90 90 GLN H H 1 8.304 0.000 . 1 . . . . A 86 GLN H . 34869 1 951 . 1 . 1 90 90 GLN HA H 1 4.417 0.000 . 1 . . . . A 86 GLN HA . 34869 1 952 . 1 . 1 90 90 GLN HB2 H 1 2.158 0.000 . 2 . . . . A 86 GLN HB2 . 34869 1 953 . 1 . 1 90 90 GLN HB3 H 1 2.009 0.000 . 2 . . . . A 86 GLN HB3 . 34869 1 954 . 1 . 1 90 90 GLN HG2 H 1 2.396 0.000 . 1 . . . . A 86 GLN HG2 . 34869 1 955 . 1 . 1 90 90 GLN HG3 H 1 2.396 0.000 . 1 . . . . A 86 GLN HG3 . 34869 1 956 . 1 . 1 90 90 GLN CA C 13 55.773 0.000 . 1 . . . . A 86 GLN CA . 34869 1 957 . 1 . 1 90 90 GLN CB C 13 29.612 0.030 . 1 . . . . A 86 GLN CB . 34869 1 958 . 1 . 1 90 90 GLN CG C 13 33.876 0.000 . 1 . . . . A 86 GLN CG . 34869 1 959 . 1 . 1 90 90 GLN N N 15 119.583 0.000 . 1 . . . . A 86 GLN N . 34869 1 960 . 1 . 1 91 91 THR H H 1 8.207 0.000 . 1 . . . . A 87 THR H . 34869 1 961 . 1 . 1 91 91 THR HA H 1 4.358 0.000 . 1 . . . . A 87 THR HA . 34869 1 962 . 1 . 1 91 91 THR HB H 1 4.255 0.000 . 1 . . . . A 87 THR HB . 34869 1 963 . 1 . 1 91 91 THR HG21 H 1 1.209 0.000 . 1 . . . . A 87 THR HG21 . 34869 1 964 . 1 . 1 91 91 THR HG22 H 1 1.209 0.000 . 1 . . . . A 87 THR HG22 . 34869 1 965 . 1 . 1 91 91 THR HG23 H 1 1.209 0.000 . 1 . . . . A 87 THR HG23 . 34869 1 966 . 1 . 1 91 91 THR CA C 13 61.850 0.000 . 1 . . . . A 87 THR CA . 34869 1 967 . 1 . 1 91 91 THR CB C 13 69.948 0.000 . 1 . . . . A 87 THR CB . 34869 1 968 . 1 . 1 91 91 THR CG2 C 13 21.458 0.000 . 1 . . . . A 87 THR CG2 . 34869 1 969 . 1 . 1 91 91 THR N N 15 115.677 0.000 . 1 . . . . A 87 THR N . 34869 1 970 . 1 . 1 92 92 GLN H H 1 8.047 0.002 . 1 . . . . A 88 GLN H . 34869 1 971 . 1 . 1 92 92 GLN HA H 1 4.190 0.001 . 1 . . . . A 88 GLN HA . 34869 1 972 . 1 . 1 92 92 GLN HB2 H 1 2.125 0.000 . 2 . . . . A 88 GLN HB2 . 34869 1 973 . 1 . 1 92 92 GLN HB3 H 1 1.938 0.000 . 2 . . . . A 88 GLN HB3 . 34869 1 974 . 1 . 1 92 92 GLN HG2 H 1 2.307 0.000 . 1 . . . . A 88 GLN HG2 . 34869 1 975 . 1 . 1 92 92 GLN HG3 H 1 2.307 0.000 . 1 . . . . A 88 GLN HG3 . 34869 1 976 . 1 . 1 92 92 GLN CA C 13 57.452 0.000 . 1 . . . . A 88 GLN CA . 34869 1 977 . 1 . 1 92 92 GLN CB C 13 30.420 0.004 . 1 . . . . A 88 GLN CB . 34869 1 978 . 1 . 1 92 92 GLN CG C 13 34.254 0.000 . 1 . . . . A 88 GLN CG . 34869 1 979 . 1 . 1 92 92 GLN N N 15 127.369 0.046 . 1 . . . . A 88 GLN N . 34869 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 34869 _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' . . . 34869 2 2 '2D 1H-13C HSQC' . . . 34869 2 3 '2D 1H-13C HSQC' . . . 34869 2 4 '3D 1H-15N NOESY' . . . 34869 2 5 '3D 1H-13C NOESY' . . . 34869 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 4.456 0.012 . 1 . . . . A -1 MET HA . 34869 2 2 . 1 . 1 3 3 MET HB2 H 1 2.029 0.000 . 2 . . . . A -1 MET HB2 . 34869 2 3 . 1 . 1 3 3 MET HB3 H 1 2.089 0.002 . 2 . . . . A -1 MET HB3 . 34869 2 4 . 1 . 1 3 3 MET HG2 H 1 2.640 0.002 . 2 . . . . A -1 MET HG2 . 34869 2 5 . 1 . 1 3 3 MET HG3 H 1 2.579 0.002 . 2 . . . . A -1 MET HG3 . 34869 2 6 . 1 . 1 3 3 MET HE1 H 1 2.111 0.000 . 1 . . . . A -1 MET HE1 . 34869 2 7 . 1 . 1 3 3 MET HE2 H 1 2.111 0.000 . 1 . . . . A -1 MET HE2 . 34869 2 8 . 1 . 1 3 3 MET HE3 H 1 2.111 0.000 . 1 . . . . A -1 MET HE3 . 34869 2 9 . 1 . 1 3 3 MET CA C 13 55.418 0.060 . 1 . . . . A -1 MET CA . 34869 2 10 . 1 . 1 3 3 MET CB C 13 32.936 0.020 . 1 . . . . A -1 MET CB . 34869 2 11 . 1 . 1 3 3 MET CG C 13 31.998 0.003 . 1 . . . . A -1 MET CG . 34869 2 12 . 1 . 1 3 3 MET CE C 13 16.905 0.000 . 1 . . . . A -1 MET CE . 34869 2 13 . 1 . 1 4 4 ALA HA H 1 4.368 0.000 . 1 . . . . A 0 ALA HA . 34869 2 14 . 1 . 1 4 4 ALA HB1 H 1 1.412 0.000 . 1 . . . . A 0 ALA HB1 . 34869 2 15 . 1 . 1 4 4 ALA HB2 H 1 1.412 0.000 . 1 . . . . A 0 ALA HB2 . 34869 2 16 . 1 . 1 4 4 ALA HB3 H 1 1.412 0.000 . 1 . . . . A 0 ALA HB3 . 34869 2 17 . 1 . 1 4 4 ALA CA C 13 52.616 0.000 . 1 . . . . A 0 ALA CA . 34869 2 18 . 1 . 1 4 4 ALA CB C 13 19.070 0.000 . 1 . . . . A 0 ALA CB . 34869 2 19 . 1 . 1 5 5 THR HA H 1 4.286 0.003 . 1 . . . . A 1 THR HA . 34869 2 20 . 1 . 1 5 5 THR HB H 1 4.202 0.004 . 1 . . . . A 1 THR HB . 34869 2 21 . 1 . 1 5 5 THR HG21 H 1 1.213 0.001 . 1 . . . . A 1 THR HG21 . 34869 2 22 . 1 . 1 5 5 THR HG22 H 1 1.213 0.001 . 1 . . . . A 1 THR HG22 . 34869 2 23 . 1 . 1 5 5 THR HG23 H 1 1.213 0.001 . 1 . . . . A 1 THR HG23 . 34869 2 24 . 1 . 1 5 5 THR CA C 13 61.636 0.025 . 1 . . . . A 1 THR CA . 34869 2 25 . 1 . 1 5 5 THR CB C 13 69.721 0.011 . 1 . . . . A 1 THR CB . 34869 2 26 . 1 . 1 5 5 THR CG2 C 13 21.622 0.005 . 1 . . . . A 1 THR CG2 . 34869 2 27 . 1 . 1 6 6 ALA HA H 1 4.364 0.003 . 1 . . . . A 2 ALA HA . 34869 2 28 . 1 . 1 6 6 ALA HB1 H 1 1.394 0.007 . 1 . . . . A 2 ALA HB1 . 34869 2 29 . 1 . 1 6 6 ALA HB2 H 1 1.394 0.007 . 1 . . . . A 2 ALA HB2 . 34869 2 30 . 1 . 1 6 6 ALA HB3 H 1 1.394 0.007 . 1 . . . . A 2 ALA HB3 . 34869 2 31 . 1 . 1 6 6 ALA CA C 13 52.381 0.003 . 1 . . . . A 2 ALA CA . 34869 2 32 . 1 . 1 6 6 ALA CB C 13 19.147 0.140 . 1 . . . . A 2 ALA CB . 34869 2 33 . 1 . 1 7 7 VAL HA H 1 4.095 0.003 . 1 . . . . A 3 VAL HA . 34869 2 34 . 1 . 1 7 7 VAL HB H 1 2.057 0.007 . 1 . . . . A 3 VAL HB . 34869 2 35 . 1 . 1 7 7 VAL HG11 H 1 0.935 0.002 . 2 . . . . A 3 VAL HG11 . 34869 2 36 . 1 . 1 7 7 VAL HG12 H 1 0.935 0.002 . 2 . . . . A 3 VAL HG12 . 34869 2 37 . 1 . 1 7 7 VAL HG13 H 1 0.935 0.002 . 2 . . . . A 3 VAL HG13 . 34869 2 38 . 1 . 1 7 7 VAL HG21 H 1 0.933 0.002 . 2 . . . . A 3 VAL HG21 . 34869 2 39 . 1 . 1 7 7 VAL HG22 H 1 0.933 0.002 . 2 . . . . A 3 VAL HG22 . 34869 2 40 . 1 . 1 7 7 VAL HG23 H 1 0.933 0.002 . 2 . . . . A 3 VAL HG23 . 34869 2 41 . 1 . 1 7 7 VAL CA C 13 61.993 0.003 . 1 . . . . A 3 VAL CA . 34869 2 42 . 1 . 1 7 7 VAL CB C 13 32.672 0.113 . 1 . . . . A 3 VAL CB . 34869 2 43 . 1 . 1 7 7 VAL CG1 C 13 20.632 0.031 . 2 . . . . A 3 VAL CG1 . 34869 2 44 . 1 . 1 7 7 VAL CG2 C 13 21.085 0.095 . 2 . . . . A 3 VAL CG2 . 34869 2 45 . 1 . 1 8 8 GLN HA H 1 4.297 0.002 . 1 . . . . A 4 GLN HA . 34869 2 46 . 1 . 1 8 8 GLN HB2 H 1 1.960 0.011 . 2 . . . . A 4 GLN HB2 . 34869 2 47 . 1 . 1 8 8 GLN HB3 H 1 1.977 0.023 . 2 . . . . A 4 GLN HB3 . 34869 2 48 . 1 . 1 8 8 GLN HG2 H 1 2.326 0.009 . 1 . . . . A 4 GLN HG2 . 34869 2 49 . 1 . 1 8 8 GLN HG3 H 1 2.326 0.009 . 1 . . . . A 4 GLN HG3 . 34869 2 50 . 1 . 1 8 8 GLN CA C 13 55.707 0.006 . 1 . . . . A 4 GLN CA . 34869 2 51 . 1 . 1 8 8 GLN CB C 13 29.769 0.095 . 1 . . . . A 4 GLN CB . 34869 2 52 . 1 . 1 8 8 GLN CG C 13 33.907 0.061 . 1 . . . . A 4 GLN CG . 34869 2 53 . 1 . 1 9 9 ASN HA H 1 4.989 0.015 . 1 . . . . A 5 ASN HA . 34869 2 54 . 1 . 1 9 9 ASN HB2 H 1 2.867 0.000 . 2 . . . . A 5 ASN HB2 . 34869 2 55 . 1 . 1 9 9 ASN HB3 H 1 2.750 0.003 . 2 . . . . A 5 ASN HB3 . 34869 2 56 . 1 . 1 9 9 ASN CA C 13 50.978 0.000 . 1 . . . . A 5 ASN CA . 34869 2 57 . 1 . 1 9 9 ASN CB C 13 38.847 0.010 . 1 . . . . A 5 ASN CB . 34869 2 58 . 1 . 1 10 10 PRO HA H 1 4.479 0.000 . 1 . . . . A 6 PRO HA . 34869 2 59 . 1 . 1 10 10 PRO HB2 H 1 2.312 0.003 . 2 . . . . A 6 PRO HB2 . 34869 2 60 . 1 . 1 10 10 PRO HB3 H 1 1.979 0.000 . 2 . . . . A 6 PRO HB3 . 34869 2 61 . 1 . 1 10 10 PRO HG2 H 1 2.027 0.007 . 1 . . . . A 6 PRO HG2 . 34869 2 62 . 1 . 1 10 10 PRO HG3 H 1 2.027 0.007 . 1 . . . . A 6 PRO HG3 . 34869 2 63 . 1 . 1 10 10 PRO HD2 H 1 3.579 0.007 . 1 . . . . A 6 PRO HD2 . 34869 2 64 . 1 . 1 10 10 PRO HD3 H 1 3.579 0.007 . 1 . . . . A 6 PRO HD3 . 34869 2 65 . 1 . 1 10 10 PRO CA C 13 63.059 0.001 . 1 . . . . A 6 PRO CA . 34869 2 66 . 1 . 1 10 10 PRO CB C 13 32.065 0.020 . 1 . . . . A 6 PRO CB . 34869 2 67 . 1 . 1 10 10 PRO CG C 13 27.111 0.091 . 1 . . . . A 6 PRO CG . 34869 2 68 . 1 . 1 10 10 PRO CD C 13 49.678 0.012 . 1 . . . . A 6 PRO CD . 34869 2 69 . 1 . 1 11 11 LEU HA H 1 4.210 0.000 . 1 . . . . A 7 LEU HA . 34869 2 70 . 1 . 1 11 11 LEU HB2 H 1 1.821 0.003 . 2 . . . . A 7 LEU HB2 . 34869 2 71 . 1 . 1 11 11 LEU HB3 H 1 1.444 0.004 . 2 . . . . A 7 LEU HB3 . 34869 2 72 . 1 . 1 11 11 LEU HG H 1 1.684 0.005 . 1 . . . . A 7 LEU HG . 34869 2 73 . 1 . 1 11 11 LEU HD11 H 1 0.704 0.012 . 2 . . . . A 7 LEU HD11 . 34869 2 74 . 1 . 1 11 11 LEU HD12 H 1 0.704 0.012 . 2 . . . . A 7 LEU HD12 . 34869 2 75 . 1 . 1 11 11 LEU HD13 H 1 0.704 0.012 . 2 . . . . A 7 LEU HD13 . 34869 2 76 . 1 . 1 11 11 LEU HD21 H 1 0.792 0.015 . 2 . . . . A 7 LEU HD21 . 34869 2 77 . 1 . 1 11 11 LEU HD22 H 1 0.792 0.015 . 2 . . . . A 7 LEU HD22 . 34869 2 78 . 1 . 1 11 11 LEU HD23 H 1 0.792 0.015 . 2 . . . . A 7 LEU HD23 . 34869 2 79 . 1 . 1 11 11 LEU CA C 13 58.921 0.000 . 1 . . . . A 7 LEU CA . 34869 2 80 . 1 . 1 11 11 LEU CB C 13 41.516 0.039 . 1 . . . . A 7 LEU CB . 34869 2 81 . 1 . 1 11 11 LEU CG C 13 28.834 0.064 . 1 . . . . A 7 LEU CG . 34869 2 82 . 1 . 1 11 11 LEU CD1 C 13 24.885 0.070 . 2 . . . . A 7 LEU CD1 . 34869 2 83 . 1 . 1 11 11 LEU CD2 C 13 25.244 0.000 . 2 . . . . A 7 LEU CD2 . 34869 2 84 . 1 . 1 12 12 GLU HA H 1 3.616 0.006 . 1 . . . . A 8 GLU HA . 34869 2 85 . 1 . 1 12 12 GLU HB2 H 1 1.931 0.014 . 2 . . . . A 8 GLU HB2 . 34869 2 86 . 1 . 1 12 12 GLU HB3 H 1 2.251 0.011 . 2 . . . . A 8 GLU HB3 . 34869 2 87 . 1 . 1 12 12 GLU HG2 H 1 2.028 0.003 . 2 . . . . A 8 GLU HG2 . 34869 2 88 . 1 . 1 12 12 GLU HG3 H 1 2.299 0.004 . 2 . . . . A 8 GLU HG3 . 34869 2 89 . 1 . 1 12 12 GLU CA C 13 60.014 0.049 . 1 . . . . A 8 GLU CA . 34869 2 90 . 1 . 1 12 12 GLU CB C 13 29.886 0.037 . 1 . . . . A 8 GLU CB . 34869 2 91 . 1 . 1 12 12 GLU CG C 13 37.746 0.034 . 1 . . . . A 8 GLU CG . 34869 2 92 . 1 . 1 13 13 THR HA H 1 3.879 0.004 . 1 . . . . A 9 THR HA . 34869 2 93 . 1 . 1 13 13 THR HB H 1 4.275 0.006 . 1 . . . . A 9 THR HB . 34869 2 94 . 1 . 1 13 13 THR HG21 H 1 1.275 0.000 . 1 . . . . A 9 THR HG21 . 34869 2 95 . 1 . 1 13 13 THR HG22 H 1 1.275 0.000 . 1 . . . . A 9 THR HG22 . 34869 2 96 . 1 . 1 13 13 THR HG23 H 1 1.275 0.000 . 1 . . . . A 9 THR HG23 . 34869 2 97 . 1 . 1 13 13 THR CA C 13 66.736 0.014 . 1 . . . . A 9 THR CA . 34869 2 98 . 1 . 1 13 13 THR CB C 13 68.513 0.029 . 1 . . . . A 9 THR CB . 34869 2 99 . 1 . 1 13 13 THR CG2 C 13 22.097 0.000 . 1 . . . . A 9 THR CG2 . 34869 2 100 . 1 . 1 14 14 VAL HA H 1 3.804 0.004 . 1 . . . . A 10 VAL HA . 34869 2 101 . 1 . 1 14 14 VAL HB H 1 2.401 0.005 . 1 . . . . A 10 VAL HB . 34869 2 102 . 1 . 1 14 14 VAL HG11 H 1 1.197 0.009 . 2 . . . . A 10 VAL HG11 . 34869 2 103 . 1 . 1 14 14 VAL HG12 H 1 1.197 0.009 . 2 . . . . A 10 VAL HG12 . 34869 2 104 . 1 . 1 14 14 VAL HG13 H 1 1.197 0.009 . 2 . . . . A 10 VAL HG13 . 34869 2 105 . 1 . 1 14 14 VAL HG21 H 1 0.946 0.004 . 2 . . . . A 10 VAL HG21 . 34869 2 106 . 1 . 1 14 14 VAL HG22 H 1 0.946 0.004 . 2 . . . . A 10 VAL HG22 . 34869 2 107 . 1 . 1 14 14 VAL HG23 H 1 0.946 0.004 . 2 . . . . A 10 VAL HG23 . 34869 2 108 . 1 . 1 14 14 VAL CA C 13 66.280 0.038 . 1 . . . . A 10 VAL CA . 34869 2 109 . 1 . 1 14 14 VAL CB C 13 32.249 0.010 . 1 . . . . A 10 VAL CB . 34869 2 110 . 1 . 1 14 14 VAL CG1 C 13 23.647 0.017 . 2 . . . . A 10 VAL CG1 . 34869 2 111 . 1 . 1 14 14 VAL CG2 C 13 22.148 0.080 . 2 . . . . A 10 VAL CG2 . 34869 2 112 . 1 . 1 15 15 VAL HA H 1 3.643 0.014 . 1 . . . . A 11 VAL HA . 34869 2 113 . 1 . 1 15 15 VAL HB H 1 2.389 0.003 . 1 . . . . A 11 VAL HB . 34869 2 114 . 1 . 1 15 15 VAL HG11 H 1 1.297 0.007 . 2 . . . . A 11 VAL HG11 . 34869 2 115 . 1 . 1 15 15 VAL HG12 H 1 1.297 0.007 . 2 . . . . A 11 VAL HG12 . 34869 2 116 . 1 . 1 15 15 VAL HG13 H 1 1.297 0.007 . 2 . . . . A 11 VAL HG13 . 34869 2 117 . 1 . 1 15 15 VAL HG21 H 1 1.203 0.009 . 2 . . . . A 11 VAL HG21 . 34869 2 118 . 1 . 1 15 15 VAL HG22 H 1 1.203 0.009 . 2 . . . . A 11 VAL HG22 . 34869 2 119 . 1 . 1 15 15 VAL HG23 H 1 1.203 0.009 . 2 . . . . A 11 VAL HG23 . 34869 2 120 . 1 . 1 15 15 VAL CA C 13 67.279 0.041 . 1 . . . . A 11 VAL CA . 34869 2 121 . 1 . 1 15 15 VAL CB C 13 31.385 0.044 . 1 . . . . A 11 VAL CB . 34869 2 122 . 1 . 1 15 15 VAL CG1 C 13 23.523 0.018 . 2 . . . . A 11 VAL CG1 . 34869 2 123 . 1 . 1 15 15 VAL CG2 C 13 22.688 0.052 . 2 . . . . A 11 VAL CG2 . 34869 2 124 . 1 . 1 16 16 LEU HA H 1 4.217 0.003 . 1 . . . . A 12 LEU HA . 34869 2 125 . 1 . 1 16 16 LEU HB2 H 1 2.210 0.002 . 2 . . . . A 12 LEU HB2 . 34869 2 126 . 1 . 1 16 16 LEU HB3 H 1 1.691 0.003 . 2 . . . . A 12 LEU HB3 . 34869 2 127 . 1 . 1 16 16 LEU HG H 1 1.692 0.005 . 1 . . . . A 12 LEU HG . 34869 2 128 . 1 . 1 16 16 LEU HD11 H 1 1.141 0.003 . 2 . . . . A 12 LEU HD11 . 34869 2 129 . 1 . 1 16 16 LEU HD12 H 1 1.141 0.003 . 2 . . . . A 12 LEU HD12 . 34869 2 130 . 1 . 1 16 16 LEU HD13 H 1 1.141 0.003 . 2 . . . . A 12 LEU HD13 . 34869 2 131 . 1 . 1 16 16 LEU HD21 H 1 1.091 0.003 . 2 . . . . A 12 LEU HD21 . 34869 2 132 . 1 . 1 16 16 LEU HD22 H 1 1.091 0.003 . 2 . . . . A 12 LEU HD22 . 34869 2 133 . 1 . 1 16 16 LEU HD23 H 1 1.091 0.003 . 2 . . . . A 12 LEU HD23 . 34869 2 134 . 1 . 1 16 16 LEU CA C 13 58.725 0.021 . 1 . . . . A 12 LEU CA . 34869 2 135 . 1 . 1 16 16 LEU CB C 13 42.501 0.043 . 1 . . . . A 12 LEU CB . 34869 2 136 . 1 . 1 16 16 LEU CG C 13 27.303 0.013 . 1 . . . . A 12 LEU CG . 34869 2 137 . 1 . 1 16 16 LEU CD1 C 13 24.574 0.011 . 2 . . . . A 12 LEU CD1 . 34869 2 138 . 1 . 1 16 16 LEU CD2 C 13 25.980 0.023 . 2 . . . . A 12 LEU CD2 . 34869 2 139 . 1 . 1 17 17 GLN HA H 1 3.890 0.002 . 1 . . . . A 13 GLN HA . 34869 2 140 . 1 . 1 17 17 GLN HB2 H 1 2.266 0.010 . 2 . . . . A 13 GLN HB2 . 34869 2 141 . 1 . 1 17 17 GLN HB3 H 1 2.152 0.015 . 2 . . . . A 13 GLN HB3 . 34869 2 142 . 1 . 1 17 17 GLN HG2 H 1 2.535 0.000 . 2 . . . . A 13 GLN HG2 . 34869 2 143 . 1 . 1 17 17 GLN HG3 H 1 2.448 0.015 . 2 . . . . A 13 GLN HG3 . 34869 2 144 . 1 . 1 17 17 GLN CA C 13 58.729 0.011 . 1 . . . . A 13 GLN CA . 34869 2 145 . 1 . 1 17 17 GLN CB C 13 27.987 0.029 . 1 . . . . A 13 GLN CB . 34869 2 146 . 1 . 1 17 17 GLN CG C 13 33.886 0.021 . 1 . . . . A 13 GLN CG . 34869 2 147 . 1 . 1 18 18 ALA HA H 1 4.218 0.003 . 1 . . . . A 14 ALA HA . 34869 2 148 . 1 . 1 18 18 ALA HB1 H 1 1.430 0.007 . 1 . . . . A 14 ALA HB1 . 34869 2 149 . 1 . 1 18 18 ALA HB2 H 1 1.430 0.007 . 1 . . . . A 14 ALA HB2 . 34869 2 150 . 1 . 1 18 18 ALA HB3 H 1 1.430 0.007 . 1 . . . . A 14 ALA HB3 . 34869 2 151 . 1 . 1 18 18 ALA CA C 13 55.010 0.016 . 1 . . . . A 14 ALA CA . 34869 2 152 . 1 . 1 18 18 ALA CB C 13 17.383 0.015 . 1 . . . . A 14 ALA CB . 34869 2 153 . 1 . 1 19 19 TRP HA H 1 4.493 0.004 . 1 . . . . A 15 TRP HA . 34869 2 154 . 1 . 1 19 19 TRP HB2 H 1 3.221 0.014 . 2 . . . . A 15 TRP HB2 . 34869 2 155 . 1 . 1 19 19 TRP HB3 H 1 3.216 0.013 . 2 . . . . A 15 TRP HB3 . 34869 2 156 . 1 . 1 19 19 TRP HD1 H 1 5.715 0.007 . 1 . . . . A 15 TRP HD1 . 34869 2 157 . 1 . 1 19 19 TRP HE3 H 1 7.145 0.004 . 1 . . . . A 15 TRP HE3 . 34869 2 158 . 1 . 1 19 19 TRP HZ2 H 1 7.335 0.006 . 1 . . . . A 15 TRP HZ2 . 34869 2 159 . 1 . 1 19 19 TRP HZ3 H 1 6.523 0.003 . 1 . . . . A 15 TRP HZ3 . 34869 2 160 . 1 . 1 19 19 TRP HH2 H 1 6.935 0.005 . 1 . . . . A 15 TRP HH2 . 34869 2 161 . 1 . 1 19 19 TRP CA C 13 59.285 0.022 . 1 . . . . A 15 TRP CA . 34869 2 162 . 1 . 1 19 19 TRP CB C 13 29.560 0.020 . 1 . . . . A 15 TRP CB . 34869 2 163 . 1 . 1 19 19 TRP CD1 C 13 125.933 0.053 . 1 . . . . A 15 TRP CD1 . 34869 2 164 . 1 . 1 19 19 TRP CE3 C 13 121.243 0.021 . 1 . . . . A 15 TRP CE3 . 34869 2 165 . 1 . 1 19 19 TRP CZ2 C 13 114.598 0.032 . 1 . . . . A 15 TRP CZ2 . 34869 2 166 . 1 . 1 19 19 TRP CZ3 C 13 120.142 0.028 . 1 . . . . A 15 TRP CZ3 . 34869 2 167 . 1 . 1 19 19 TRP CH2 C 13 124.459 0.023 . 1 . . . . A 15 TRP CH2 . 34869 2 168 . 1 . 1 20 20 LYS HA H 1 3.424 0.002 . 1 . . . . A 16 LYS HA . 34869 2 169 . 1 . 1 20 20 LYS HB2 H 1 1.851 0.009 . 2 . . . . A 16 LYS HB2 . 34869 2 170 . 1 . 1 20 20 LYS HB3 H 1 1.850 0.006 . 2 . . . . A 16 LYS HB3 . 34869 2 171 . 1 . 1 20 20 LYS HG2 H 1 1.477 0.004 . 2 . . . . A 16 LYS HG2 . 34869 2 172 . 1 . 1 20 20 LYS HG3 H 1 1.831 0.008 . 2 . . . . A 16 LYS HG3 . 34869 2 173 . 1 . 1 20 20 LYS HD2 H 1 1.764 0.003 . 1 . . . . A 16 LYS HD2 . 34869 2 174 . 1 . 1 20 20 LYS HD3 H 1 1.764 0.003 . 1 . . . . A 16 LYS HD3 . 34869 2 175 . 1 . 1 20 20 LYS HE2 H 1 3.122 0.004 . 2 . . . . A 16 LYS HE2 . 34869 2 176 . 1 . 1 20 20 LYS HE3 H 1 2.968 0.004 . 2 . . . . A 16 LYS HE3 . 34869 2 177 . 1 . 1 20 20 LYS CA C 13 61.403 0.019 . 1 . . . . A 16 LYS CA . 34869 2 178 . 1 . 1 20 20 LYS CB C 13 32.303 0.015 . 1 . . . . A 16 LYS CB . 34869 2 179 . 1 . 1 20 20 LYS CG C 13 25.966 0.040 . 1 . . . . A 16 LYS CG . 34869 2 180 . 1 . 1 20 20 LYS CD C 13 30.054 0.024 . 1 . . . . A 16 LYS CD . 34869 2 181 . 1 . 1 20 20 LYS CE C 13 42.105 0.040 . 1 . . . . A 16 LYS CE . 34869 2 182 . 1 . 1 21 21 ASP HA H 1 4.195 0.003 . 1 . . . . A 17 ASP HA . 34869 2 183 . 1 . 1 21 21 ASP HB2 H 1 2.836 0.003 . 2 . . . . A 17 ASP HB2 . 34869 2 184 . 1 . 1 21 21 ASP HB3 H 1 2.661 0.004 . 2 . . . . A 17 ASP HB3 . 34869 2 185 . 1 . 1 21 21 ASP CA C 13 57.107 0.007 . 1 . . . . A 17 ASP CA . 34869 2 186 . 1 . 1 21 21 ASP CB C 13 41.286 0.043 . 1 . . . . A 17 ASP CB . 34869 2 187 . 1 . 1 22 22 ILE HA H 1 3.449 0.001 . 1 . . . . A 18 ILE HA . 34869 2 188 . 1 . 1 22 22 ILE HB H 1 1.357 0.002 . 1 . . . . A 18 ILE HB . 34869 2 189 . 1 . 1 22 22 ILE HG12 H 1 1.726 0.003 . 2 . . . . A 18 ILE HG12 . 34869 2 190 . 1 . 1 22 22 ILE HG13 H 1 0.931 0.002 . 2 . . . . A 18 ILE HG13 . 34869 2 191 . 1 . 1 22 22 ILE HG21 H 1 0.607 0.002 . 1 . . . . A 18 ILE HG21 . 34869 2 192 . 1 . 1 22 22 ILE HG22 H 1 0.607 0.002 . 1 . . . . A 18 ILE HG22 . 34869 2 193 . 1 . 1 22 22 ILE HG23 H 1 0.607 0.002 . 1 . . . . A 18 ILE HG23 . 34869 2 194 . 1 . 1 22 22 ILE HD11 H 1 0.731 0.005 . 1 . . . . A 18 ILE HD11 . 34869 2 195 . 1 . 1 22 22 ILE HD12 H 1 0.731 0.005 . 1 . . . . A 18 ILE HD12 . 34869 2 196 . 1 . 1 22 22 ILE HD13 H 1 0.731 0.005 . 1 . . . . A 18 ILE HD13 . 34869 2 197 . 1 . 1 22 22 ILE CA C 13 63.759 0.024 . 1 . . . . A 18 ILE CA . 34869 2 198 . 1 . 1 22 22 ILE CB C 13 39.709 0.025 . 1 . . . . A 18 ILE CB . 34869 2 199 . 1 . 1 22 22 ILE CG1 C 13 29.533 0.035 . 1 . . . . A 18 ILE CG1 . 34869 2 200 . 1 . 1 22 22 ILE CG2 C 13 17.113 0.015 . 1 . . . . A 18 ILE CG2 . 34869 2 201 . 1 . 1 22 22 ILE CD1 C 13 13.851 0.017 . 1 . . . . A 18 ILE CD1 . 34869 2 202 . 1 . 1 23 23 SER HA H 1 3.003 0.001 . 1 . . . . A 19 SER HA . 34869 2 203 . 1 . 1 23 23 SER HB2 H 1 3.058 0.001 . 2 . . . . A 19 SER HB2 . 34869 2 204 . 1 . 1 23 23 SER HB3 H 1 1.443 0.002 . 2 . . . . A 19 SER HB3 . 34869 2 205 . 1 . 1 23 23 SER CA C 13 59.155 0.007 . 1 . . . . A 19 SER CA . 34869 2 206 . 1 . 1 23 23 SER CB C 13 65.087 0.014 . 1 . . . . A 19 SER CB . 34869 2 207 . 1 . 1 24 24 GLY HA2 H 1 4.003 0.000 . 2 . . . . A 20 GLY HA2 . 34869 2 208 . 1 . 1 24 24 GLY HA3 H 1 3.729 0.005 . 2 . . . . A 20 GLY HA3 . 34869 2 209 . 1 . 1 24 24 GLY CA C 13 45.599 0.007 . 1 . . . . A 20 GLY CA . 34869 2 210 . 1 . 1 25 25 ALA HA H 1 4.366 0.002 . 1 . . . . A 21 ALA HA . 34869 2 211 . 1 . 1 25 25 ALA HB1 H 1 1.193 0.003 . 1 . . . . A 21 ALA HB1 . 34869 2 212 . 1 . 1 25 25 ALA HB2 H 1 1.193 0.003 . 1 . . . . A 21 ALA HB2 . 34869 2 213 . 1 . 1 25 25 ALA HB3 H 1 1.193 0.003 . 1 . . . . A 21 ALA HB3 . 34869 2 214 . 1 . 1 25 25 ALA CA C 13 51.784 0.006 . 1 . . . . A 21 ALA CA . 34869 2 215 . 1 . 1 25 25 ALA CB C 13 18.380 0.019 . 1 . . . . A 21 ALA CB . 34869 2 216 . 1 . 1 26 26 ASP HA H 1 4.531 0.002 . 1 . . . . A 22 ASP HA . 34869 2 217 . 1 . 1 26 26 ASP HB2 H 1 2.657 0.011 . 2 . . . . A 22 ASP HB2 . 34869 2 218 . 1 . 1 26 26 ASP HB3 H 1 2.654 0.012 . 2 . . . . A 22 ASP HB3 . 34869 2 219 . 1 . 1 26 26 ASP CA C 13 55.745 0.014 . 1 . . . . A 22 ASP CA . 34869 2 220 . 1 . 1 26 26 ASP CB C 13 42.041 0.038 . 1 . . . . A 22 ASP CB . 34869 2 221 . 1 . 1 27 27 ASP HA H 1 4.709 0.002 . 1 . . . . A 23 ASP HA . 34869 2 222 . 1 . 1 27 27 ASP HB2 H 1 2.749 0.017 . 2 . . . . A 23 ASP HB2 . 34869 2 223 . 1 . 1 27 27 ASP HB3 H 1 2.711 0.014 . 2 . . . . A 23 ASP HB3 . 34869 2 224 . 1 . 1 27 27 ASP CA C 13 53.201 0.021 . 1 . . . . A 23 ASP CA . 34869 2 225 . 1 . 1 27 27 ASP CB C 13 40.234 0.027 . 1 . . . . A 23 ASP CB . 34869 2 226 . 1 . 1 28 28 PHE HA H 1 4.470 0.003 . 1 . . . . A 24 PHE HA . 34869 2 227 . 1 . 1 28 28 PHE HB2 H 1 2.865 0.001 . 2 . . . . A 24 PHE HB2 . 34869 2 228 . 1 . 1 28 28 PHE HB3 H 1 3.182 0.004 . 2 . . . . A 24 PHE HB3 . 34869 2 229 . 1 . 1 28 28 PHE HD1 H 1 7.258 0.005 . 1 . . . . A 24 PHE HD1 . 34869 2 230 . 1 . 1 28 28 PHE HD2 H 1 7.258 0.005 . 1 . . . . A 24 PHE HD2 . 34869 2 231 . 1 . 1 28 28 PHE HE1 H 1 6.666 0.005 . 1 . . . . A 24 PHE HE1 . 34869 2 232 . 1 . 1 28 28 PHE HE2 H 1 6.666 0.005 . 1 . . . . A 24 PHE HE2 . 34869 2 233 . 1 . 1 28 28 PHE CA C 13 59.221 0.032 . 1 . . . . A 24 PHE CA . 34869 2 234 . 1 . 1 28 28 PHE CB C 13 41.885 0.013 . 1 . . . . A 24 PHE CB . 34869 2 235 . 1 . 1 28 28 PHE CD1 C 13 132.264 0.043 . 1 . . . . A 24 PHE CD1 . 34869 2 236 . 1 . 1 28 28 PHE CD2 C 13 132.264 0.043 . 1 . . . . A 24 PHE CD2 . 34869 2 237 . 1 . 1 28 28 PHE CE1 C 13 130.811 0.036 . 1 . . . . A 24 PHE CE1 . 34869 2 238 . 1 . 1 28 28 PHE CE2 C 13 130.811 0.036 . 1 . . . . A 24 PHE CE2 . 34869 2 239 . 1 . 1 29 29 THR HA H 1 4.939 0.003 . 1 . . . . A 25 THR HA . 34869 2 240 . 1 . 1 29 29 THR HB H 1 4.532 0.003 . 1 . . . . A 25 THR HB . 34869 2 241 . 1 . 1 29 29 THR HG21 H 1 1.197 0.003 . 1 . . . . A 25 THR HG21 . 34869 2 242 . 1 . 1 29 29 THR HG22 H 1 1.197 0.003 . 1 . . . . A 25 THR HG22 . 34869 2 243 . 1 . 1 29 29 THR HG23 H 1 1.197 0.003 . 1 . . . . A 25 THR HG23 . 34869 2 244 . 1 . 1 29 29 THR CA C 13 60.226 0.018 . 1 . . . . A 25 THR CA . 34869 2 245 . 1 . 1 29 29 THR CB C 13 71.628 0.017 . 1 . . . . A 25 THR CB . 34869 2 246 . 1 . 1 29 29 THR CG2 C 13 20.872 0.009 . 1 . . . . A 25 THR CG2 . 34869 2 247 . 1 . 1 30 30 THR HA H 1 3.920 0.004 . 1 . . . . A 26 THR HA . 34869 2 248 . 1 . 1 30 30 THR HB H 1 4.367 0.002 . 1 . . . . A 26 THR HB . 34869 2 249 . 1 . 1 30 30 THR HG21 H 1 1.380 0.005 . 1 . . . . A 26 THR HG21 . 34869 2 250 . 1 . 1 30 30 THR HG22 H 1 1.380 0.005 . 1 . . . . A 26 THR HG22 . 34869 2 251 . 1 . 1 30 30 THR HG23 H 1 1.380 0.005 . 1 . . . . A 26 THR HG23 . 34869 2 252 . 1 . 1 30 30 THR CA C 13 64.434 0.015 . 1 . . . . A 26 THR CA . 34869 2 253 . 1 . 1 30 30 THR CB C 13 68.396 0.006 . 1 . . . . A 26 THR CB . 34869 2 254 . 1 . 1 30 30 THR CG2 C 13 23.687 0.016 . 1 . . . . A 26 THR CG2 . 34869 2 255 . 1 . 1 31 31 THR HA H 1 4.463 0.003 . 1 . . . . A 27 THR HA . 34869 2 256 . 1 . 1 31 31 THR HB H 1 4.380 0.002 . 1 . . . . A 27 THR HB . 34869 2 257 . 1 . 1 31 31 THR HG21 H 1 1.024 0.006 . 1 . . . . A 27 THR HG21 . 34869 2 258 . 1 . 1 31 31 THR HG22 H 1 1.024 0.006 . 1 . . . . A 27 THR HG22 . 34869 2 259 . 1 . 1 31 31 THR HG23 H 1 1.024 0.006 . 1 . . . . A 27 THR HG23 . 34869 2 260 . 1 . 1 31 31 THR CA C 13 60.380 0.021 . 1 . . . . A 27 THR CA . 34869 2 261 . 1 . 1 31 31 THR CB C 13 69.171 0.007 . 1 . . . . A 27 THR CB . 34869 2 262 . 1 . 1 31 31 THR CG2 C 13 21.291 0.036 . 1 . . . . A 27 THR CG2 . 34869 2 263 . 1 . 1 32 32 ASP HA H 1 4.365 0.002 . 1 . . . . A 28 ASP HA . 34869 2 264 . 1 . 1 32 32 ASP HB2 H 1 1.263 0.002 . 2 . . . . A 28 ASP HB2 . 34869 2 265 . 1 . 1 32 32 ASP HB3 H 1 1.780 0.005 . 2 . . . . A 28 ASP HB3 . 34869 2 266 . 1 . 1 32 32 ASP CA C 13 54.285 0.006 . 1 . . . . A 28 ASP CA . 34869 2 267 . 1 . 1 32 32 ASP CB C 13 41.941 0.034 . 1 . . . . A 28 ASP CB . 34869 2 268 . 1 . 1 33 33 SER HA H 1 4.661 0.003 . 1 . . . . A 29 SER HA . 34869 2 269 . 1 . 1 33 33 SER HB2 H 1 3.992 0.010 . 2 . . . . A 29 SER HB2 . 34869 2 270 . 1 . 1 33 33 SER HB3 H 1 3.856 0.011 . 2 . . . . A 29 SER HB3 . 34869 2 271 . 1 . 1 33 33 SER CA C 13 56.656 0.010 . 1 . . . . A 29 SER CA . 34869 2 272 . 1 . 1 33 33 SER CB C 13 63.748 0.019 . 1 . . . . A 29 SER CB . 34869 2 273 . 1 . 1 34 34 PHE HA H 1 4.259 0.002 . 1 . . . . A 30 PHE HA . 34869 2 274 . 1 . 1 34 34 PHE HB2 H 1 2.579 0.004 . 2 . . . . A 30 PHE HB2 . 34869 2 275 . 1 . 1 34 34 PHE HB3 H 1 2.376 0.005 . 2 . . . . A 30 PHE HB3 . 34869 2 276 . 1 . 1 34 34 PHE HD1 H 1 5.855 0.005 . 3 . . . . A 30 PHE HD1 . 34869 2 277 . 1 . 1 34 34 PHE HD2 H 1 6.966 0.008 . 3 . . . . A 30 PHE HD2 . 34869 2 278 . 1 . 1 34 34 PHE HE1 H 1 6.650 0.004 . 3 . . . . A 30 PHE HE1 . 34869 2 279 . 1 . 1 34 34 PHE HE2 H 1 6.520 0.004 . 3 . . . . A 30 PHE HE2 . 34869 2 280 . 1 . 1 34 34 PHE HZ H 1 7.219 0.008 . 1 . . . . A 30 PHE HZ . 34869 2 281 . 1 . 1 34 34 PHE CA C 13 60.167 0.008 . 1 . . . . A 30 PHE CA . 34869 2 282 . 1 . 1 34 34 PHE CB C 13 38.970 0.024 . 1 . . . . A 30 PHE CB . 34869 2 283 . 1 . 1 34 34 PHE CD1 C 13 130.93703 0.02043 . 3 . . . . A 30 PHE CD1 . 34869 2 284 . 1 . 1 34 34 PHE CD2 C 13 131.29393 0.01835 . 3 . . . . A 30 PHE CD2 . 34869 2 285 . 1 . 1 34 34 PHE CE1 C 13 128.11305 0.03380 . 3 . . . . A 30 PHE CE1 . 34869 2 286 . 1 . 1 34 34 PHE CE2 C 13 129.90043 0.02663 . 3 . . . . A 30 PHE CE2 . 34869 2 287 . 1 . 1 34 34 PHE CZ C 13 129.392 0.048 . 1 . . . . A 30 PHE CZ . 34869 2 288 . 1 . 1 35 35 LEU HA H 1 4.339 0.001 . 1 . . . . A 31 LEU HA . 34869 2 289 . 1 . 1 35 35 LEU HB2 H 1 1.679 0.011 . 2 . . . . A 31 LEU HB2 . 34869 2 290 . 1 . 1 35 35 LEU HB3 H 1 1.681 0.010 . 2 . . . . A 31 LEU HB3 . 34869 2 291 . 1 . 1 35 35 LEU HG H 1 1.691 0.004 . 1 . . . . A 31 LEU HG . 34869 2 292 . 1 . 1 35 35 LEU HD11 H 1 0.923 0.004 . 2 . . . . A 31 LEU HD11 . 34869 2 293 . 1 . 1 35 35 LEU HD12 H 1 0.923 0.004 . 2 . . . . A 31 LEU HD12 . 34869 2 294 . 1 . 1 35 35 LEU HD13 H 1 0.923 0.004 . 2 . . . . A 31 LEU HD13 . 34869 2 295 . 1 . 1 35 35 LEU HD21 H 1 0.779 0.004 . 2 . . . . A 31 LEU HD21 . 34869 2 296 . 1 . 1 35 35 LEU HD22 H 1 0.779 0.004 . 2 . . . . A 31 LEU HD22 . 34869 2 297 . 1 . 1 35 35 LEU HD23 H 1 0.779 0.004 . 2 . . . . A 31 LEU HD23 . 34869 2 298 . 1 . 1 35 35 LEU CA C 13 56.601 0.013 . 1 . . . . A 31 LEU CA . 34869 2 299 . 1 . 1 35 35 LEU CB C 13 41.940 0.033 . 1 . . . . A 31 LEU CB . 34869 2 300 . 1 . 1 35 35 LEU CG C 13 27.431 0.064 . 1 . . . . A 31 LEU CG . 34869 2 301 . 1 . 1 35 35 LEU CD1 C 13 24.949 0.034 . 2 . . . . A 31 LEU CD1 . 34869 2 302 . 1 . 1 35 35 LEU CD2 C 13 24.271 0.019 . 2 . . . . A 31 LEU CD2 . 34869 2 303 . 1 . 1 36 36 GLY HA2 H 1 4.095 0.000 . 2 . . . . A 32 GLY HA2 . 34869 2 304 . 1 . 1 36 36 GLY HA3 H 1 4.018 0.000 . 2 . . . . A 32 GLY HA3 . 34869 2 305 . 1 . 1 36 36 GLY CA C 13 45.794 0.002 . 1 . . . . A 32 GLY CA . 34869 2 306 . 1 . 1 37 37 HIS HA H 1 4.848 0.002 . 1 . . . . A 33 HIS HA . 34869 2 307 . 1 . 1 37 37 HIS HB2 H 1 3.402 0.001 . 2 . . . . A 33 HIS HB2 . 34869 2 308 . 1 . 1 37 37 HIS HB3 H 1 3.680 0.004 . 2 . . . . A 33 HIS HB3 . 34869 2 309 . 1 . 1 37 37 HIS HD2 H 1 7.379 0.004 . 1 . . . . A 33 HIS HD2 . 34869 2 310 . 1 . 1 37 37 HIS HE1 H 1 8.250 0.002 . 1 . . . . A 33 HIS HE1 . 34869 2 311 . 1 . 1 37 37 HIS CA C 13 56.270 0.008 . 1 . . . . A 33 HIS CA . 34869 2 312 . 1 . 1 37 37 HIS CB C 13 30.165 0.013 . 1 . . . . A 33 HIS CB . 34869 2 313 . 1 . 1 37 37 HIS CD2 C 13 120.293 0.014 . 1 . . . . A 33 HIS CD2 . 34869 2 314 . 1 . 1 37 37 HIS CE1 C 13 137.650 0.000 . 1 . . . . A 33 HIS CE1 . 34869 2 315 . 1 . 1 38 38 GLY HA2 H 1 3.984 0.000 . 2 . . . . A 34 GLY HA2 . 34869 2 316 . 1 . 1 38 38 GLY HA3 H 1 4.203 0.000 . 2 . . . . A 34 GLY HA3 . 34869 2 317 . 1 . 1 38 38 GLY CA C 13 45.655 0.012 . 1 . . . . A 34 GLY CA . 34869 2 318 . 1 . 1 39 39 GLY HA2 H 1 4.251 0.000 . 2 . . . . A 35 GLY HA2 . 34869 2 319 . 1 . 1 39 39 GLY HA3 H 1 3.961 0.000 . 2 . . . . A 35 GLY HA3 . 34869 2 320 . 1 . 1 39 39 GLY CA C 13 45.672 0.043 . 1 . . . . A 35 GLY CA . 34869 2 321 . 1 . 1 40 40 ASN HA H 1 4.636 0.002 . 1 . . . . A 36 ASN HA . 34869 2 322 . 1 . 1 40 40 ASN HB2 H 1 2.514 0.002 . 2 . . . . A 36 ASN HB2 . 34869 2 323 . 1 . 1 40 40 ASN HB3 H 1 2.765 0.003 . 2 . . . . A 36 ASN HB3 . 34869 2 324 . 1 . 1 40 40 ASN CA C 13 52.286 0.027 . 1 . . . . A 36 ASN CA . 34869 2 325 . 1 . 1 40 40 ASN CB C 13 39.115 0.020 . 1 . . . . A 36 ASN CB . 34869 2 326 . 1 . 1 41 41 WP9 H14 H 1 7.685 0.000 . 1 . . . . A 37 WP9 H14 . 34869 2 327 . 1 . 1 41 41 WP9 H15 H 1 7.698 0.000 . 1 . . . . A 37 WP9 H15 . 34869 2 328 . 1 . 1 41 41 WP9 H32 H 1 3.996 0.002 . 1 . . . . A 37 WP9 H32 . 34869 2 329 . 1 . 1 41 41 WP9 H281 H 1 3.748 0.003 . 2 . . . . A 37 WP9 H281 . 34869 2 330 . 1 . 1 41 41 WP9 H282 H 1 3.323 0.002 . 2 . . . . A 37 WP9 H282 . 34869 2 331 . 1 . 1 41 41 WP9 H301 H 1 0.939 0.003 . 1 . . . . A 37 WP9 H301 . 34869 2 332 . 1 . 1 41 41 WP9 H302 H 1 0.939 0.003 . 1 . . . . A 37 WP9 H302 . 34869 2 333 . 1 . 1 41 41 WP9 H303 H 1 0.939 0.003 . 1 . . . . A 37 WP9 H303 . 34869 2 334 . 1 . 1 41 41 WP9 H311 H 1 0.820 0.003 . 1 . . . . A 37 WP9 H311 . 34869 2 335 . 1 . 1 41 41 WP9 H312 H 1 0.820 0.003 . 1 . . . . A 37 WP9 H312 . 34869 2 336 . 1 . 1 41 41 WP9 H313 H 1 0.820 0.003 . 1 . . . . A 37 WP9 H313 . 34869 2 337 . 1 . 1 41 41 WP9 H371 H 1 3.420 0.003 . 1 . . . . A 37 WP9 H371 . 34869 2 338 . 1 . 1 41 41 WP9 H372 H 1 3.420 0.003 . 1 . . . . A 37 WP9 H372 . 34869 2 339 . 1 . 1 41 41 WP9 H381 H 1 2.396 0.003 . 1 . . . . A 37 WP9 H381 . 34869 2 340 . 1 . 1 41 41 WP9 H382 H 1 2.396 0.003 . 1 . . . . A 37 WP9 H382 . 34869 2 341 . 1 . 1 41 41 WP9 H421 H 1 3.307 0.009 . 1 . . . . A 37 WP9 H421 . 34869 2 342 . 1 . 1 41 41 WP9 H422 H 1 3.307 0.009 . 1 . . . . A 37 WP9 H422 . 34869 2 343 . 1 . 1 41 41 WP9 H431 H 1 2.982 0.002 . 1 . . . . A 37 WP9 H431 . 34869 2 344 . 1 . 1 41 41 WP9 H432 H 1 2.982 0.002 . 1 . . . . A 37 WP9 H432 . 34869 2 345 . 1 . 1 41 41 WP9 C14 C 13 132.575 0.000 . 1 . . . . A 37 WP9 C14 . 34869 2 346 . 1 . 1 41 41 WP9 C15 C 13 133.599 0.000 . 1 . . . . A 37 WP9 C15 . 34869 2 347 . 1 . 1 41 41 WP9 C28 C 13 74.054 0.009 . 1 . . . . A 37 WP9 C28 . 34869 2 348 . 1 . 1 41 41 WP9 C30 C 13 23.869 0.027 . 1 . . . . A 37 WP9 C30 . 34869 2 349 . 1 . 1 41 41 WP9 C31 C 13 21.499 0.028 . 1 . . . . A 37 WP9 C31 . 34869 2 350 . 1 . 1 41 41 WP9 C32 C 13 76.631 0.017 . 1 . . . . A 37 WP9 C32 . 34869 2 351 . 1 . 1 41 41 WP9 C37 C 13 38.091 0.014 . 1 . . . . A 37 WP9 C37 . 34869 2 352 . 1 . 1 41 41 WP9 C38 C 13 37.874 0.012 . 1 . . . . A 37 WP9 C38 . 34869 2 353 . 1 . 1 41 41 WP9 C42 C 13 41.631 0.018 . 1 . . . . A 37 WP9 C42 . 34869 2 354 . 1 . 1 41 41 WP9 C43 C 13 30.410 0.008 . 1 . . . . A 37 WP9 C43 . 34869 2 355 . 1 . 1 41 41 WP9 CA C 13 60.173 0.021 . 1 . . . . A 37 WP9 CA . 34869 2 356 . 1 . 1 41 41 WP9 CB C 13 65.671 0.008 . 1 . . . . A 37 WP9 CB . 34869 2 357 . 1 . 1 41 41 WP9 HA H 1 3.810 0.004 . 1 . . . . A 37 WP9 HA . 34869 2 358 . 1 . 1 41 41 WP9 HB1 H 1 4.099 0.002 . 1 . . . . A 37 WP9 HB1 . 34869 2 359 . 1 . 1 41 41 WP9 HB2 H 1 4.099 0.002 . 1 . . . . A 37 WP9 HB2 . 34869 2 360 . 1 . 1 42 42 LEU HA H 1 4.156 0.005 . 1 . . . . A 38 LEU HA . 34869 2 361 . 1 . 1 42 42 LEU HB2 H 1 1.582 0.008 . 2 . . . . A 38 LEU HB2 . 34869 2 362 . 1 . 1 42 42 LEU HB3 H 1 1.477 0.006 . 2 . . . . A 38 LEU HB3 . 34869 2 363 . 1 . 1 42 42 LEU HG H 1 1.589 0.008 . 1 . . . . A 38 LEU HG . 34869 2 364 . 1 . 1 42 42 LEU HD11 H 1 0.889 0.009 . 2 . . . . A 38 LEU HD11 . 34869 2 365 . 1 . 1 42 42 LEU HD12 H 1 0.889 0.009 . 2 . . . . A 38 LEU HD12 . 34869 2 366 . 1 . 1 42 42 LEU HD13 H 1 0.889 0.009 . 2 . . . . A 38 LEU HD13 . 34869 2 367 . 1 . 1 42 42 LEU HD21 H 1 0.877 0.016 . 2 . . . . A 38 LEU HD21 . 34869 2 368 . 1 . 1 42 42 LEU HD22 H 1 0.877 0.016 . 2 . . . . A 38 LEU HD22 . 34869 2 369 . 1 . 1 42 42 LEU HD23 H 1 0.877 0.016 . 2 . . . . A 38 LEU HD23 . 34869 2 370 . 1 . 1 42 42 LEU CA C 13 57.687 0.007 . 1 . . . . A 38 LEU CA . 34869 2 371 . 1 . 1 42 42 LEU CB C 13 41.059 0.020 . 1 . . . . A 38 LEU CB . 34869 2 372 . 1 . 1 42 42 LEU CG C 13 27.064 0.016 . 1 . . . . A 38 LEU CG . 34869 2 373 . 1 . 1 42 42 LEU CD1 C 13 24.092 0.030 . 2 . . . . A 38 LEU CD1 . 34869 2 374 . 1 . 1 42 42 LEU CD2 C 13 24.098 0.032 . 2 . . . . A 38 LEU CD2 . 34869 2 375 . 1 . 1 43 43 HIS HA H 1 4.492 0.003 . 1 . . . . A 39 HIS HA . 34869 2 376 . 1 . 1 43 43 HIS HB2 H 1 2.987 0.003 . 2 . . . . A 39 HIS HB2 . 34869 2 377 . 1 . 1 43 43 HIS HB3 H 1 3.243 0.002 . 2 . . . . A 39 HIS HB3 . 34869 2 378 . 1 . 1 43 43 HIS HD2 H 1 6.778 0.004 . 1 . . . . A 39 HIS HD2 . 34869 2 379 . 1 . 1 43 43 HIS HE1 H 1 7.829 0.002 . 1 . . . . A 39 HIS HE1 . 34869 2 380 . 1 . 1 43 43 HIS CA C 13 57.372 0.031 . 1 . . . . A 39 HIS CA . 34869 2 381 . 1 . 1 43 43 HIS CB C 13 31.235 0.023 . 1 . . . . A 39 HIS CB . 34869 2 382 . 1 . 1 43 43 HIS CD2 C 13 117.178 0.021 . 1 . . . . A 39 HIS CD2 . 34869 2 383 . 1 . 1 43 43 HIS CE1 C 13 138.212 0.000 . 1 . . . . A 39 HIS CE1 . 34869 2 384 . 1 . 1 44 44 PHE HA H 1 4.384 0.008 . 1 . . . . A 40 PHE HA . 34869 2 385 . 1 . 1 44 44 PHE HB2 H 1 3.424 0.003 . 2 . . . . A 40 PHE HB2 . 34869 2 386 . 1 . 1 44 44 PHE HB3 H 1 2.973 0.004 . 2 . . . . A 40 PHE HB3 . 34869 2 387 . 1 . 1 44 44 PHE HD1 H 1 6.991 0.003 . 1 . . . . A 40 PHE HD1 . 34869 2 388 . 1 . 1 44 44 PHE HD2 H 1 6.991 0.003 . 1 . . . . A 40 PHE HD2 . 34869 2 389 . 1 . 1 44 44 PHE HE1 H 1 6.976 0.009 . 1 . . . . A 40 PHE HE1 . 34869 2 390 . 1 . 1 44 44 PHE HE2 H 1 6.976 0.009 . 1 . . . . A 40 PHE HE2 . 34869 2 391 . 1 . 1 44 44 PHE HZ H 1 7.136 0.008 . 1 . . . . A 40 PHE HZ . 34869 2 392 . 1 . 1 44 44 PHE CA C 13 59.897 0.018 . 1 . . . . A 40 PHE CA . 34869 2 393 . 1 . 1 44 44 PHE CB C 13 37.860 0.034 . 1 . . . . A 40 PHE CB . 34869 2 394 . 1 . 1 44 44 PHE CD1 C 13 130.338 0.023 . 1 . . . . A 40 PHE CD1 . 34869 2 395 . 1 . 1 44 44 PHE CD2 C 13 130.338 0.023 . 1 . . . . A 40 PHE CD2 . 34869 2 396 . 1 . 1 44 44 PHE CE1 C 13 131.204 0.048 . 1 . . . . A 40 PHE CE1 . 34869 2 397 . 1 . 1 44 44 PHE CE2 C 13 131.204 0.048 . 1 . . . . A 40 PHE CE2 . 34869 2 398 . 1 . 1 44 44 PHE CZ C 13 129.477 0.022 . 1 . . . . A 40 PHE CZ . 34869 2 399 . 1 . 1 45 45 VAL HA H 1 3.840 0.004 . 1 . . . . A 41 VAL HA . 34869 2 400 . 1 . 1 45 45 VAL HB H 1 2.348 0.012 . 1 . . . . A 41 VAL HB . 34869 2 401 . 1 . 1 45 45 VAL HG11 H 1 1.040 0.004 . 2 . . . . A 41 VAL HG11 . 34869 2 402 . 1 . 1 45 45 VAL HG12 H 1 1.040 0.004 . 2 . . . . A 41 VAL HG12 . 34869 2 403 . 1 . 1 45 45 VAL HG13 H 1 1.040 0.004 . 2 . . . . A 41 VAL HG13 . 34869 2 404 . 1 . 1 45 45 VAL HG21 H 1 1.213 0.002 . 2 . . . . A 41 VAL HG21 . 34869 2 405 . 1 . 1 45 45 VAL HG22 H 1 1.213 0.002 . 2 . . . . A 41 VAL HG22 . 34869 2 406 . 1 . 1 45 45 VAL HG23 H 1 1.213 0.002 . 2 . . . . A 41 VAL HG23 . 34869 2 407 . 1 . 1 45 45 VAL CA C 13 65.663 0.015 . 1 . . . . A 41 VAL CA . 34869 2 408 . 1 . 1 45 45 VAL CB C 13 32.120 0.018 . 1 . . . . A 41 VAL CB . 34869 2 409 . 1 . 1 45 45 VAL CG1 C 13 20.896 0.058 . 2 . . . . A 41 VAL CG1 . 34869 2 410 . 1 . 1 45 45 VAL CG2 C 13 22.685 0.015 . 2 . . . . A 41 VAL CG2 . 34869 2 411 . 1 . 1 46 46 GLN HA H 1 4.133 0.009 . 1 . . . . A 42 GLN HA . 34869 2 412 . 1 . 1 46 46 GLN HB2 H 1 2.310 0.006 . 2 . . . . A 42 GLN HB2 . 34869 2 413 . 1 . 1 46 46 GLN HB3 H 1 2.028 0.004 . 2 . . . . A 42 GLN HB3 . 34869 2 414 . 1 . 1 46 46 GLN HG2 H 1 2.413 0.009 . 2 . . . . A 42 GLN HG2 . 34869 2 415 . 1 . 1 46 46 GLN HG3 H 1 2.604 0.003 . 2 . . . . A 42 GLN HG3 . 34869 2 416 . 1 . 1 46 46 GLN CA C 13 58.702 0.037 . 1 . . . . A 42 GLN CA . 34869 2 417 . 1 . 1 46 46 GLN CB C 13 29.004 0.052 . 1 . . . . A 42 GLN CB . 34869 2 418 . 1 . 1 46 46 GLN CG C 13 34.434 0.016 . 1 . . . . A 42 GLN CG . 34869 2 419 . 1 . 1 47 47 LEU HA H 1 3.959 0.005 . 1 . . . . A 43 LEU HA . 34869 2 420 . 1 . 1 47 47 LEU HB2 H 1 2.015 0.006 . 2 . . . . A 43 LEU HB2 . 34869 2 421 . 1 . 1 47 47 LEU HB3 H 1 1.682 0.006 . 2 . . . . A 43 LEU HB3 . 34869 2 422 . 1 . 1 47 47 LEU HG H 1 1.371 0.002 . 1 . . . . A 43 LEU HG . 34869 2 423 . 1 . 1 47 47 LEU HD11 H 1 0.986 0.004 . 2 . . . . A 43 LEU HD11 . 34869 2 424 . 1 . 1 47 47 LEU HD12 H 1 0.986 0.004 . 2 . . . . A 43 LEU HD12 . 34869 2 425 . 1 . 1 47 47 LEU HD13 H 1 0.986 0.004 . 2 . . . . A 43 LEU HD13 . 34869 2 426 . 1 . 1 47 47 LEU HD21 H 1 0.290 0.003 . 2 . . . . A 43 LEU HD21 . 34869 2 427 . 1 . 1 47 47 LEU HD22 H 1 0.290 0.003 . 2 . . . . A 43 LEU HD22 . 34869 2 428 . 1 . 1 47 47 LEU HD23 H 1 0.290 0.003 . 2 . . . . A 43 LEU HD23 . 34869 2 429 . 1 . 1 47 47 LEU CA C 13 58.394 0.031 . 1 . . . . A 43 LEU CA . 34869 2 430 . 1 . 1 47 47 LEU CB C 13 41.689 0.058 . 1 . . . . A 43 LEU CB . 34869 2 431 . 1 . 1 47 47 LEU CG C 13 26.914 0.014 . 1 . . . . A 43 LEU CG . 34869 2 432 . 1 . 1 47 47 LEU CD1 C 13 23.484 0.042 . 2 . . . . A 43 LEU CD1 . 34869 2 433 . 1 . 1 47 47 LEU CD2 C 13 25.692 0.016 . 2 . . . . A 43 LEU CD2 . 34869 2 434 . 1 . 1 48 48 ALA HA H 1 3.684 0.004 . 1 . . . . A 44 ALA HA . 34869 2 435 . 1 . 1 48 48 ALA HB1 H 1 1.375 0.003 . 1 . . . . A 44 ALA HB1 . 34869 2 436 . 1 . 1 48 48 ALA HB2 H 1 1.375 0.003 . 1 . . . . A 44 ALA HB2 . 34869 2 437 . 1 . 1 48 48 ALA HB3 H 1 1.375 0.003 . 1 . . . . A 44 ALA HB3 . 34869 2 438 . 1 . 1 48 48 ALA CA C 13 56.128 0.021 . 1 . . . . A 44 ALA CA . 34869 2 439 . 1 . 1 48 48 ALA CB C 13 17.287 0.026 . 1 . . . . A 44 ALA CB . 34869 2 440 . 1 . 1 49 49 SER HA H 1 4.288 0.004 . 1 . . . . A 45 SER HA . 34869 2 441 . 1 . 1 49 49 SER HB2 H 1 4.019 0.014 . 2 . . . . A 45 SER HB2 . 34869 2 442 . 1 . 1 49 49 SER HB3 H 1 4.015 0.012 . 2 . . . . A 45 SER HB3 . 34869 2 443 . 1 . 1 49 49 SER CA C 13 61.243 0.048 . 1 . . . . A 45 SER CA . 34869 2 444 . 1 . 1 49 49 SER CB C 13 62.985 0.028 . 1 . . . . A 45 SER CB . 34869 2 445 . 1 . 1 50 50 ARG HA H 1 4.114 0.015 . 1 . . . . A 46 ARG HA . 34869 2 446 . 1 . 1 50 50 ARG HB2 H 1 1.905 0.008 . 2 . . . . A 46 ARG HB2 . 34869 2 447 . 1 . 1 50 50 ARG HB3 H 1 2.137 0.004 . 2 . . . . A 46 ARG HB3 . 34869 2 448 . 1 . 1 50 50 ARG HG2 H 1 1.756 0.008 . 1 . . . . A 46 ARG HG2 . 34869 2 449 . 1 . 1 50 50 ARG HG3 H 1 1.757 0.007 . 1 . . . . A 46 ARG HG3 . 34869 2 450 . 1 . 1 50 50 ARG HD2 H 1 3.135 0.007 . 2 . . . . A 46 ARG HD2 . 34869 2 451 . 1 . 1 50 50 ARG HD3 H 1 3.300 0.009 . 2 . . . . A 46 ARG HD3 . 34869 2 452 . 1 . 1 50 50 ARG CA C 13 59.001 0.001 . 1 . . . . A 46 ARG CA . 34869 2 453 . 1 . 1 50 50 ARG CB C 13 30.028 0.000 . 1 . . . . A 46 ARG CB . 34869 2 454 . 1 . 1 50 50 ARG CG C 13 26.775 0.053 . 1 . . . . A 46 ARG CG . 34869 2 455 . 1 . 1 50 50 ARG CD C 13 42.813 0.045 . 1 . . . . A 46 ARG CD . 34869 2 456 . 1 . 1 51 51 LEU HA H 1 4.071 0.011 . 1 . . . . A 47 LEU HA . 34869 2 457 . 1 . 1 51 51 LEU HB2 H 1 2.115 0.003 . 2 . . . . A 47 LEU HB2 . 34869 2 458 . 1 . 1 51 51 LEU HB3 H 1 1.511 0.005 . 2 . . . . A 47 LEU HB3 . 34869 2 459 . 1 . 1 51 51 LEU HG H 1 2.329 0.004 . 1 . . . . A 47 LEU HG . 34869 2 460 . 1 . 1 51 51 LEU HD11 H 1 0.960 0.006 . 1 . . . . A 47 LEU HD11 . 34869 2 461 . 1 . 1 51 51 LEU HD12 H 1 0.960 0.006 . 1 . . . . A 47 LEU HD12 . 34869 2 462 . 1 . 1 51 51 LEU HD13 H 1 0.960 0.006 . 1 . . . . A 47 LEU HD13 . 34869 2 463 . 1 . 1 51 51 LEU HD21 H 1 0.960 0.006 . 1 . . . . A 47 LEU HD21 . 34869 2 464 . 1 . 1 51 51 LEU HD22 H 1 0.960 0.006 . 1 . . . . A 47 LEU HD22 . 34869 2 465 . 1 . 1 51 51 LEU HD23 H 1 0.960 0.006 . 1 . . . . A 47 LEU HD23 . 34869 2 466 . 1 . 1 51 51 LEU CA C 13 58.228 0.002 . 1 . . . . A 47 LEU CA . 34869 2 467 . 1 . 1 51 51 LEU CB C 13 41.054 0.024 . 1 . . . . A 47 LEU CB . 34869 2 468 . 1 . 1 51 51 LEU CG C 13 26.430 0.011 . 1 . . . . A 47 LEU CG . 34869 2 469 . 1 . 1 51 51 LEU CD1 C 13 27.325 0.046 . 1 . . . . A 47 LEU CD1 . 34869 2 470 . 1 . 1 51 51 LEU CD2 C 13 27.325 0.046 . 1 . . . . A 47 LEU CD2 . 34869 2 471 . 1 . 1 52 52 GLN HA H 1 4.701 0.002 . 1 . . . . A 48 GLN HA . 34869 2 472 . 1 . 1 52 52 GLN HB2 H 1 2.287 0.004 . 2 . . . . A 48 GLN HB2 . 34869 2 473 . 1 . 1 52 52 GLN HB3 H 1 2.536 0.001 . 2 . . . . A 48 GLN HB3 . 34869 2 474 . 1 . 1 52 52 GLN HG2 H 1 2.384 0.005 . 2 . . . . A 48 GLN HG2 . 34869 2 475 . 1 . 1 52 52 GLN HG3 H 1 2.768 0.002 . 2 . . . . A 48 GLN HG3 . 34869 2 476 . 1 . 1 52 52 GLN CA C 13 59.304 0.015 . 1 . . . . A 48 GLN CA . 34869 2 477 . 1 . 1 52 52 GLN CB C 13 28.580 0.087 . 1 . . . . A 48 GLN CB . 34869 2 478 . 1 . 1 52 52 GLN CG C 13 33.499 0.018 . 1 . . . . A 48 GLN CG . 34869 2 479 . 1 . 1 53 53 LYS HA H 1 4.110 0.004 . 1 . . . . A 49 LYS HA . 34869 2 480 . 1 . 1 53 53 LYS HB2 H 1 2.024 0.008 . 1 . . . . A 49 LYS HB2 . 34869 2 481 . 1 . 1 53 53 LYS HB3 H 1 2.024 0.008 . 1 . . . . A 49 LYS HB3 . 34869 2 482 . 1 . 1 53 53 LYS HG2 H 1 1.551 0.002 . 1 . . . . A 49 LYS HG2 . 34869 2 483 . 1 . 1 53 53 LYS HG3 H 1 1.552 0.002 . 1 . . . . A 49 LYS HG3 . 34869 2 484 . 1 . 1 53 53 LYS HD2 H 1 1.723 0.010 . 2 . . . . A 49 LYS HD2 . 34869 2 485 . 1 . 1 53 53 LYS HD3 H 1 1.721 0.011 . 2 . . . . A 49 LYS HD3 . 34869 2 486 . 1 . 1 53 53 LYS HE2 H 1 2.981 0.011 . 2 . . . . A 49 LYS HE2 . 34869 2 487 . 1 . 1 53 53 LYS HE3 H 1 2.971 0.011 . 2 . . . . A 49 LYS HE3 . 34869 2 488 . 1 . 1 53 53 LYS CA C 13 58.848 0.075 . 1 . . . . A 49 LYS CA . 34869 2 489 . 1 . 1 53 53 LYS CB C 13 32.315 0.022 . 1 . . . . A 49 LYS CB . 34869 2 490 . 1 . 1 53 53 LYS CG C 13 25.111 0.002 . 1 . . . . A 49 LYS CG . 34869 2 491 . 1 . 1 53 53 LYS CD C 13 28.853 0.029 . 1 . . . . A 49 LYS CD . 34869 2 492 . 1 . 1 53 53 LYS CE C 13 41.936 0.030 . 1 . . . . A 49 LYS CE . 34869 2 493 . 1 . 1 54 54 ILE HA H 1 3.592 0.006 . 1 . . . . A 50 ILE HA . 34869 2 494 . 1 . 1 54 54 ILE HB H 1 1.218 0.007 . 1 . . . . A 50 ILE HB . 34869 2 495 . 1 . 1 54 54 ILE HG12 H 1 0.881 0.000 . 1 . . . . A 50 ILE HG12 . 34869 2 496 . 1 . 1 54 54 ILE HG21 H 1 0.055 0.002 . 1 . . . . A 50 ILE HG21 . 34869 2 497 . 1 . 1 54 54 ILE HG22 H 1 0.055 0.002 . 1 . . . . A 50 ILE HG22 . 34869 2 498 . 1 . 1 54 54 ILE HG23 H 1 0.055 0.002 . 1 . . . . A 50 ILE HG23 . 34869 2 499 . 1 . 1 54 54 ILE HD11 H 1 0.615 0.004 . 1 . . . . A 50 ILE HD11 . 34869 2 500 . 1 . 1 54 54 ILE HD12 H 1 0.615 0.004 . 1 . . . . A 50 ILE HD12 . 34869 2 501 . 1 . 1 54 54 ILE HD13 H 1 0.615 0.004 . 1 . . . . A 50 ILE HD13 . 34869 2 502 . 1 . 1 54 54 ILE CA C 13 65.223 0.045 . 1 . . . . A 50 ILE CA . 34869 2 503 . 1 . 1 54 54 ILE CB C 13 39.570 0.032 . 1 . . . . A 50 ILE CB . 34869 2 504 . 1 . 1 54 54 ILE CG1 C 13 28.432 0.078 . 1 . . . . A 50 ILE CG1 . 34869 2 505 . 1 . 1 54 54 ILE CG2 C 13 16.220 0.000 . 1 . . . . A 50 ILE CG2 . 34869 2 506 . 1 . 1 54 54 ILE CD1 C 13 14.037 0.007 . 1 . . . . A 50 ILE CD1 . 34869 2 507 . 1 . 1 55 55 PHE HA H 1 4.762 0.001 . 1 . . . . A 51 PHE HA . 34869 2 508 . 1 . 1 55 55 PHE HB2 H 1 3.153 0.006 . 2 . . . . A 51 PHE HB2 . 34869 2 509 . 1 . 1 55 55 PHE HB3 H 1 2.916 0.004 . 2 . . . . A 51 PHE HB3 . 34869 2 510 . 1 . 1 55 55 PHE HD1 H 1 7.440 0.012 . 1 . . . . A 51 PHE HD1 . 34869 2 511 . 1 . 1 55 55 PHE HD2 H 1 7.440 0.012 . 1 . . . . A 51 PHE HD2 . 34869 2 512 . 1 . 1 55 55 PHE HE1 H 1 7.228 0.007 . 1 . . . . A 51 PHE HE1 . 34869 2 513 . 1 . 1 55 55 PHE HE2 H 1 7.228 0.007 . 1 . . . . A 51 PHE HE2 . 34869 2 514 . 1 . 1 55 55 PHE CA C 13 58.841 0.019 . 1 . . . . A 51 PHE CA . 34869 2 515 . 1 . 1 55 55 PHE CB C 13 40.472 0.013 . 1 . . . . A 51 PHE CB . 34869 2 516 . 1 . 1 55 55 PHE CD1 C 13 131.656 0.000 . 1 . . . . A 51 PHE CD1 . 34869 2 517 . 1 . 1 55 55 PHE CD2 C 13 131.656 0.000 . 1 . . . . A 51 PHE CD2 . 34869 2 518 . 1 . 1 55 55 PHE CE1 C 13 131.082 0.014 . 1 . . . . A 51 PHE CE1 . 34869 2 519 . 1 . 1 55 55 PHE CE2 C 13 131.082 0.014 . 1 . . . . A 51 PHE CE2 . 34869 2 520 . 1 . 1 56 56 GLY HA2 H 1 4.027 0.000 . 1 . . . . A 52 GLY HA2 . 34869 2 521 . 1 . 1 56 56 GLY HA3 H 1 4.027 0.000 . 1 . . . . A 52 GLY HA3 . 34869 2 522 . 1 . 1 56 56 GLY CA C 13 46.842 0.000 . 1 . . . . A 52 GLY CA . 34869 2 523 . 1 . 1 57 57 VAL HA H 1 4.495 0.002 . 1 . . . . A 53 VAL HA . 34869 2 524 . 1 . 1 57 57 VAL HB H 1 1.973 0.003 . 1 . . . . A 53 VAL HB . 34869 2 525 . 1 . 1 57 57 VAL HG11 H 1 0.675 0.006 . 2 . . . . A 53 VAL HG11 . 34869 2 526 . 1 . 1 57 57 VAL HG12 H 1 0.675 0.006 . 2 . . . . A 53 VAL HG12 . 34869 2 527 . 1 . 1 57 57 VAL HG13 H 1 0.675 0.006 . 2 . . . . A 53 VAL HG13 . 34869 2 528 . 1 . 1 57 57 VAL HG21 H 1 0.780 0.003 . 2 . . . . A 53 VAL HG21 . 34869 2 529 . 1 . 1 57 57 VAL HG22 H 1 0.780 0.003 . 2 . . . . A 53 VAL HG22 . 34869 2 530 . 1 . 1 57 57 VAL HG23 H 1 0.780 0.003 . 2 . . . . A 53 VAL HG23 . 34869 2 531 . 1 . 1 57 57 VAL CA C 13 58.098 0.012 . 1 . . . . A 53 VAL CA . 34869 2 532 . 1 . 1 57 57 VAL CB C 13 34.805 0.025 . 1 . . . . A 53 VAL CB . 34869 2 533 . 1 . 1 57 57 VAL CG1 C 13 19.122 0.022 . 2 . . . . A 53 VAL CG1 . 34869 2 534 . 1 . 1 57 57 VAL CG2 C 13 21.531 0.049 . 2 . . . . A 53 VAL CG2 . 34869 2 535 . 1 . 1 58 58 GLU HA H 1 4.098 0.003 . 1 . . . . A 54 GLU HA . 34869 2 536 . 1 . 1 58 58 GLU HB2 H 1 1.954 0.017 . 2 . . . . A 54 GLU HB2 . 34869 2 537 . 1 . 1 58 58 GLU HB3 H 1 1.964 0.013 . 2 . . . . A 54 GLU HB3 . 34869 2 538 . 1 . 1 58 58 GLU HG2 H 1 2.230 0.022 . 2 . . . . A 54 GLU HG2 . 34869 2 539 . 1 . 1 58 58 GLU HG3 H 1 2.224 0.008 . 2 . . . . A 54 GLU HG3 . 34869 2 540 . 1 . 1 58 58 GLU CA C 13 57.271 0.031 . 1 . . . . A 54 GLU CA . 34869 2 541 . 1 . 1 58 58 GLU CB C 13 29.608 0.038 . 1 . . . . A 54 GLU CB . 34869 2 542 . 1 . 1 58 58 GLU CG C 13 36.683 0.026 . 1 . . . . A 54 GLU CG . 34869 2 543 . 1 . 1 59 59 VAL HA H 1 4.569 0.003 . 1 . . . . A 55 VAL HA . 34869 2 544 . 1 . 1 59 59 VAL HB H 1 2.387 0.005 . 1 . . . . A 55 VAL HB . 34869 2 545 . 1 . 1 59 59 VAL HG11 H 1 1.008 0.013 . 2 . . . . A 55 VAL HG11 . 34869 2 546 . 1 . 1 59 59 VAL HG12 H 1 1.008 0.013 . 2 . . . . A 55 VAL HG12 . 34869 2 547 . 1 . 1 59 59 VAL HG13 H 1 1.008 0.013 . 2 . . . . A 55 VAL HG13 . 34869 2 548 . 1 . 1 59 59 VAL HG21 H 1 0.979 0.004 . 2 . . . . A 55 VAL HG21 . 34869 2 549 . 1 . 1 59 59 VAL HG22 H 1 0.979 0.004 . 2 . . . . A 55 VAL HG22 . 34869 2 550 . 1 . 1 59 59 VAL HG23 H 1 0.979 0.004 . 2 . . . . A 55 VAL HG23 . 34869 2 551 . 1 . 1 59 59 VAL CA C 13 61.864 0.019 . 1 . . . . A 55 VAL CA . 34869 2 552 . 1 . 1 59 59 VAL CB C 13 34.349 0.010 . 1 . . . . A 55 VAL CB . 34869 2 553 . 1 . 1 59 59 VAL CG1 C 13 21.955 0.022 . 2 . . . . A 55 VAL CG1 . 34869 2 554 . 1 . 1 59 59 VAL CG2 C 13 21.077 0.007 . 2 . . . . A 55 VAL CG2 . 34869 2 555 . 1 . 1 60 60 SER HA H 1 5.044 0.003 . 1 . . . . A 56 SER HA . 34869 2 556 . 1 . 1 60 60 SER HB2 H 1 3.976 0.002 . 2 . . . . A 56 SER HB2 . 34869 2 557 . 1 . 1 60 60 SER HB3 H 1 4.342 0.002 . 2 . . . . A 56 SER HB3 . 34869 2 558 . 1 . 1 60 60 SER CA C 13 55.974 0.016 . 1 . . . . A 56 SER CA . 34869 2 559 . 1 . 1 60 60 SER CB C 13 67.065 0.010 . 1 . . . . A 56 SER CB . 34869 2 560 . 1 . 1 61 61 THR HA H 1 3.619 0.004 . 1 . . . . A 57 THR HA . 34869 2 561 . 1 . 1 61 61 THR HB H 1 4.121 0.003 . 1 . . . . A 57 THR HB . 34869 2 562 . 1 . 1 61 61 THR HG21 H 1 1.269 0.003 . 1 . . . . A 57 THR HG21 . 34869 2 563 . 1 . 1 61 61 THR HG22 H 1 1.269 0.003 . 1 . . . . A 57 THR HG22 . 34869 2 564 . 1 . 1 61 61 THR HG23 H 1 1.269 0.003 . 1 . . . . A 57 THR HG23 . 34869 2 565 . 1 . 1 61 61 THR CA C 13 66.812 0.050 . 1 . . . . A 57 THR CA . 34869 2 566 . 1 . 1 61 61 THR CB C 13 67.859 0.016 . 1 . . . . A 57 THR CB . 34869 2 567 . 1 . 1 61 61 THR CG2 C 13 23.504 0.034 . 1 . . . . A 57 THR CG2 . 34869 2 568 . 1 . 1 62 62 GLU HA H 1 3.985 0.004 . 1 . . . . A 58 GLU HA . 34869 2 569 . 1 . 1 62 62 GLU HB2 H 1 2.004 0.007 . 2 . . . . A 58 GLU HB2 . 34869 2 570 . 1 . 1 62 62 GLU HB3 H 1 1.944 0.011 . 2 . . . . A 58 GLU HB3 . 34869 2 571 . 1 . 1 62 62 GLU HG2 H 1 2.286 0.008 . 2 . . . . A 58 GLU HG2 . 34869 2 572 . 1 . 1 62 62 GLU HG3 H 1 2.289 0.007 . 2 . . . . A 58 GLU HG3 . 34869 2 573 . 1 . 1 62 62 GLU CA C 13 60.045 0.050 . 1 . . . . A 58 GLU CA . 34869 2 574 . 1 . 1 62 62 GLU CB C 13 29.057 0.011 . 1 . . . . A 58 GLU CB . 34869 2 575 . 1 . 1 62 62 GLU CG C 13 36.941 0.033 . 1 . . . . A 58 GLU CG . 34869 2 576 . 1 . 1 63 63 ASP HA H 1 4.121 0.003 . 1 . . . . A 59 ASP HA . 34869 2 577 . 1 . 1 63 63 ASP HB2 H 1 1.773 0.004 . 2 . . . . A 59 ASP HB2 . 34869 2 578 . 1 . 1 63 63 ASP HB3 H 1 2.977 0.009 . 2 . . . . A 59 ASP HB3 . 34869 2 579 . 1 . 1 63 63 ASP CA C 13 57.728 0.025 . 1 . . . . A 59 ASP CA . 34869 2 580 . 1 . 1 63 63 ASP CB C 13 41.137 0.034 . 1 . . . . A 59 ASP CB . 34869 2 581 . 1 . 1 64 64 VAL H H 1 7.300 0.000 . 1 . . . . A 60 VAL H . 34869 2 582 . 1 . 1 64 64 VAL HA H 1 3.325 0.002 . 1 . . . . A 60 VAL HA . 34869 2 583 . 1 . 1 64 64 VAL HB H 1 1.918 0.017 . 1 . . . . A 60 VAL HB . 34869 2 584 . 1 . 1 64 64 VAL HG11 H 1 0.774 0.010 . 2 . . . . A 60 VAL HG11 . 34869 2 585 . 1 . 1 64 64 VAL HG12 H 1 0.774 0.010 . 2 . . . . A 60 VAL HG12 . 34869 2 586 . 1 . 1 64 64 VAL HG13 H 1 0.774 0.010 . 2 . . . . A 60 VAL HG13 . 34869 2 587 . 1 . 1 64 64 VAL HG21 H 1 -0.026 0.002 . 2 . . . . A 60 VAL HG21 . 34869 2 588 . 1 . 1 64 64 VAL HG22 H 1 -0.026 0.002 . 2 . . . . A 60 VAL HG22 . 34869 2 589 . 1 . 1 64 64 VAL HG23 H 1 -0.026 0.002 . 2 . . . . A 60 VAL HG23 . 34869 2 590 . 1 . 1 64 64 VAL CA C 13 65.975 0.012 . 1 . . . . A 60 VAL CA . 34869 2 591 . 1 . 1 64 64 VAL CB C 13 30.949 0.067 . 1 . . . . A 60 VAL CB . 34869 2 592 . 1 . 1 64 64 VAL CG1 C 13 21.659 0.054 . 2 . . . . A 60 VAL CG1 . 34869 2 593 . 1 . 1 64 64 VAL CG2 C 13 21.806 0.013 . 2 . . . . A 60 VAL CG2 . 34869 2 594 . 1 . 1 65 65 PHE HA H 1 4.098 0.004 . 1 . . . . A 61 PHE HA . 34869 2 595 . 1 . 1 65 65 PHE HB2 H 1 2.929 0.002 . 1 . . . . A 61 PHE HB2 . 34869 2 596 . 1 . 1 65 65 PHE HB3 H 1 2.929 0.002 . 1 . . . . A 61 PHE HB3 . 34869 2 597 . 1 . 1 65 65 PHE HD1 H 1 7.043 0.016 . 1 . . . . A 61 PHE HD1 . 34869 2 598 . 1 . 1 65 65 PHE HD2 H 1 7.043 0.016 . 1 . . . . A 61 PHE HD2 . 34869 2 599 . 1 . 1 65 65 PHE CA C 13 60.551 0.049 . 1 . . . . A 61 PHE CA . 34869 2 600 . 1 . 1 65 65 PHE CB C 13 39.052 0.024 . 1 . . . . A 61 PHE CB . 34869 2 601 . 1 . 1 65 65 PHE CD1 C 13 131.304 0.068 . 1 . . . . A 61 PHE CD1 . 34869 2 602 . 1 . 1 65 65 PHE CD2 C 13 131.304 0.068 . 1 . . . . A 61 PHE CD2 . 34869 2 603 . 1 . 1 66 66 ARG HA H 1 3.834 0.002 . 1 . . . . A 62 ARG HA . 34869 2 604 . 1 . 1 66 66 ARG HB2 H 1 1.288 0.003 . 2 . . . . A 62 ARG HB2 . 34869 2 605 . 1 . 1 66 66 ARG HB3 H 1 1.545 0.002 . 2 . . . . A 62 ARG HB3 . 34869 2 606 . 1 . 1 66 66 ARG HG2 H 1 1.215 0.003 . 2 . . . . A 62 ARG HG2 . 34869 2 607 . 1 . 1 66 66 ARG HG3 H 1 1.479 0.002 . 2 . . . . A 62 ARG HG3 . 34869 2 608 . 1 . 1 66 66 ARG HD2 H 1 3.091 0.013 . 2 . . . . A 62 ARG HD2 . 34869 2 609 . 1 . 1 66 66 ARG HD3 H 1 3.011 0.011 . 2 . . . . A 62 ARG HD3 . 34869 2 610 . 1 . 1 66 66 ARG CA C 13 58.026 0.026 . 1 . . . . A 62 ARG CA . 34869 2 611 . 1 . 1 66 66 ARG CB C 13 30.925 0.008 . 1 . . . . A 62 ARG CB . 34869 2 612 . 1 . 1 66 66 ARG CG C 13 28.101 0.019 . 1 . . . . A 62 ARG CG . 34869 2 613 . 1 . 1 66 66 ARG CD C 13 43.017 0.018 . 1 . . . . A 62 ARG CD . 34869 2 614 . 1 . 1 67 67 HIS HA H 1 4.721 0.003 . 1 . . . . A 63 HIS HA . 34869 2 615 . 1 . 1 67 67 HIS HB2 H 1 3.053 0.005 . 2 . . . . A 63 HIS HB2 . 34869 2 616 . 1 . 1 67 67 HIS HB3 H 1 2.541 0.002 . 2 . . . . A 63 HIS HB3 . 34869 2 617 . 1 . 1 67 67 HIS HD2 H 1 6.707 0.004 . 1 . . . . A 63 HIS HD2 . 34869 2 618 . 1 . 1 67 67 HIS HE1 H 1 7.942 0.002 . 1 . . . . A 63 HIS HE1 . 34869 2 619 . 1 . 1 67 67 HIS CA C 13 54.480 0.020 . 1 . . . . A 63 HIS CA . 34869 2 620 . 1 . 1 67 67 HIS CB C 13 28.006 0.027 . 1 . . . . A 63 HIS CB . 34869 2 621 . 1 . 1 67 67 HIS CD2 C 13 121.627 0.011 . 1 . . . . A 63 HIS CD2 . 34869 2 622 . 1 . 1 67 67 HIS CE1 C 13 137.499 0.000 . 1 . . . . A 63 HIS CE1 . 34869 2 623 . 1 . 1 68 68 GLY HA2 H 1 4.410 0.004 . 2 . . . . A 64 GLY HA2 . 34869 2 624 . 1 . 1 68 68 GLY HA3 H 1 3.679 0.004 . 2 . . . . A 64 GLY HA3 . 34869 2 625 . 1 . 1 68 68 GLY CA C 13 49.352 0.028 . 1 . . . . A 64 GLY CA . 34869 2 626 . 1 . 1 69 69 THR HA H 1 3.787 0.002 . 1 . . . . A 65 THR HA . 34869 2 627 . 1 . 1 69 69 THR HB H 1 4.134 0.002 . 1 . . . . A 65 THR HB . 34869 2 628 . 1 . 1 69 69 THR HG21 H 1 0.816 0.001 . 1 . . . . A 65 THR HG21 . 34869 2 629 . 1 . 1 69 69 THR HG22 H 1 0.816 0.001 . 1 . . . . A 65 THR HG22 . 34869 2 630 . 1 . 1 69 69 THR HG23 H 1 0.816 0.001 . 1 . . . . A 65 THR HG23 . 34869 2 631 . 1 . 1 69 69 THR CA C 13 58.215 0.009 . 1 . . . . A 65 THR CA . 34869 2 632 . 1 . 1 69 69 THR CB C 13 73.208 0.004 . 1 . . . . A 65 THR CB . 34869 2 633 . 1 . 1 69 69 THR CG2 C 13 21.493 0.021 . 1 . . . . A 65 THR CG2 . 34869 2 634 . 1 . 1 70 70 VAL HA H 1 3.589 0.008 . 1 . . . . A 66 VAL HA . 34869 2 635 . 1 . 1 70 70 VAL HB H 1 2.296 0.002 . 1 . . . . A 66 VAL HB . 34869 2 636 . 1 . 1 70 70 VAL HG11 H 1 1.336 0.015 . 2 . . . . A 66 VAL HG11 . 34869 2 637 . 1 . 1 70 70 VAL HG12 H 1 1.336 0.015 . 2 . . . . A 66 VAL HG12 . 34869 2 638 . 1 . 1 70 70 VAL HG13 H 1 1.336 0.015 . 2 . . . . A 66 VAL HG13 . 34869 2 639 . 1 . 1 70 70 VAL HG21 H 1 1.120 0.006 . 2 . . . . A 66 VAL HG21 . 34869 2 640 . 1 . 1 70 70 VAL HG22 H 1 1.120 0.006 . 2 . . . . A 66 VAL HG22 . 34869 2 641 . 1 . 1 70 70 VAL HG23 H 1 1.120 0.006 . 2 . . . . A 66 VAL HG23 . 34869 2 642 . 1 . 1 70 70 VAL CA C 13 67.471 0.018 . 1 . . . . A 66 VAL CA . 34869 2 643 . 1 . 1 70 70 VAL CB C 13 30.627 0.009 . 1 . . . . A 66 VAL CB . 34869 2 644 . 1 . 1 70 70 VAL CG1 C 13 23.632 0.016 . 2 . . . . A 66 VAL CG1 . 34869 2 645 . 1 . 1 70 70 VAL CG2 C 13 22.864 0.020 . 2 . . . . A 66 VAL CG2 . 34869 2 646 . 1 . 1 71 71 GLU HA H 1 3.931 0.003 . 1 . . . . A 67 GLU HA . 34869 2 647 . 1 . 1 71 71 GLU HB2 H 1 1.976 0.021 . 2 . . . . A 67 GLU HB2 . 34869 2 648 . 1 . 1 71 71 GLU HB3 H 1 1.916 0.023 . 2 . . . . A 67 GLU HB3 . 34869 2 649 . 1 . 1 71 71 GLU HG2 H 1 2.100 0.003 . 2 . . . . A 67 GLU HG2 . 34869 2 650 . 1 . 1 71 71 GLU HG3 H 1 2.363 0.003 . 2 . . . . A 67 GLU HG3 . 34869 2 651 . 1 . 1 71 71 GLU CA C 13 59.841 0.018 . 1 . . . . A 67 GLU CA . 34869 2 652 . 1 . 1 71 71 GLU CB C 13 30.207 0.050 . 1 . . . . A 67 GLU CB . 34869 2 653 . 1 . 1 71 71 GLU CG C 13 36.091 0.026 . 1 . . . . A 67 GLU CG . 34869 2 654 . 1 . 1 72 72 GLN HA H 1 4.079 0.004 . 1 . . . . A 68 GLN HA . 34869 2 655 . 1 . 1 72 72 GLN HB2 H 1 2.312 0.008 . 2 . . . . A 68 GLN HB2 . 34869 2 656 . 1 . 1 72 72 GLN HB3 H 1 1.899 0.007 . 2 . . . . A 68 GLN HB3 . 34869 2 657 . 1 . 1 72 72 GLN HG2 H 1 2.460 0.001 . 1 . . . . A 68 GLN HG2 . 34869 2 658 . 1 . 1 72 72 GLN HG3 H 1 2.460 0.001 . 1 . . . . A 68 GLN HG3 . 34869 2 659 . 1 . 1 72 72 GLN CA C 13 58.725 0.101 . 1 . . . . A 68 GLN CA . 34869 2 660 . 1 . 1 72 72 GLN CB C 13 29.636 0.029 . 1 . . . . A 68 GLN CB . 34869 2 661 . 1 . 1 72 72 GLN CG C 13 34.875 0.016 . 1 . . . . A 68 GLN CG . 34869 2 662 . 1 . 1 73 73 LEU HA H 1 4.246 0.004 . 1 . . . . A 69 LEU HA . 34869 2 663 . 1 . 1 73 73 LEU HB2 H 1 1.983 0.005 . 2 . . . . A 69 LEU HB2 . 34869 2 664 . 1 . 1 73 73 LEU HB3 H 1 2.412 0.008 . 2 . . . . A 69 LEU HB3 . 34869 2 665 . 1 . 1 73 73 LEU HG H 1 1.716 0.017 . 1 . . . . A 69 LEU HG . 34869 2 666 . 1 . 1 73 73 LEU HD11 H 1 0.882 0.002 . 2 . . . . A 69 LEU HD11 . 34869 2 667 . 1 . 1 73 73 LEU HD12 H 1 0.882 0.002 . 2 . . . . A 69 LEU HD12 . 34869 2 668 . 1 . 1 73 73 LEU HD13 H 1 0.882 0.002 . 2 . . . . A 69 LEU HD13 . 34869 2 669 . 1 . 1 73 73 LEU HD21 H 1 0.975 0.004 . 2 . . . . A 69 LEU HD21 . 34869 2 670 . 1 . 1 73 73 LEU HD22 H 1 0.975 0.004 . 2 . . . . A 69 LEU HD22 . 34869 2 671 . 1 . 1 73 73 LEU HD23 H 1 0.975 0.004 . 2 . . . . A 69 LEU HD23 . 34869 2 672 . 1 . 1 73 73 LEU CA C 13 57.710 0.019 . 1 . . . . A 69 LEU CA . 34869 2 673 . 1 . 1 73 73 LEU CB C 13 41.494 0.038 . 1 . . . . A 69 LEU CB . 34869 2 674 . 1 . 1 73 73 LEU CG C 13 27.246 0.008 . 1 . . . . A 69 LEU CG . 34869 2 675 . 1 . 1 73 73 LEU CD1 C 13 28.411 0.031 . 2 . . . . A 69 LEU CD1 . 34869 2 676 . 1 . 1 73 73 LEU CD2 C 13 23.025 0.094 . 2 . . . . A 69 LEU CD2 . 34869 2 677 . 1 . 1 74 74 ALA HA H 1 3.788 0.003 . 1 . . . . A 70 ALA HA . 34869 2 678 . 1 . 1 74 74 ALA HB1 H 1 1.415 0.004 . 1 . . . . A 70 ALA HB1 . 34869 2 679 . 1 . 1 74 74 ALA HB2 H 1 1.415 0.004 . 1 . . . . A 70 ALA HB2 . 34869 2 680 . 1 . 1 74 74 ALA HB3 H 1 1.415 0.004 . 1 . . . . A 70 ALA HB3 . 34869 2 681 . 1 . 1 74 74 ALA CA C 13 55.559 0.020 . 1 . . . . A 70 ALA CA . 34869 2 682 . 1 . 1 74 74 ALA CB C 13 18.540 0.066 . 1 . . . . A 70 ALA CB . 34869 2 683 . 1 . 1 75 75 ARG HA H 1 4.089 0.003 . 1 . . . . A 71 ARG HA . 34869 2 684 . 1 . 1 75 75 ARG HB2 H 1 1.952 0.001 . 1 . . . . A 71 ARG HB2 . 34869 2 685 . 1 . 1 75 75 ARG HB3 H 1 1.952 0.002 . 1 . . . . A 71 ARG HB3 . 34869 2 686 . 1 . 1 75 75 ARG HG2 H 1 1.754 0.015 . 2 . . . . A 71 ARG HG2 . 34869 2 687 . 1 . 1 75 75 ARG HG3 H 1 1.700 0.018 . 2 . . . . A 71 ARG HG3 . 34869 2 688 . 1 . 1 75 75 ARG HD2 H 1 3.251 0.003 . 2 . . . . A 71 ARG HD2 . 34869 2 689 . 1 . 1 75 75 ARG HD3 H 1 3.252 0.003 . 2 . . . . A 71 ARG HD3 . 34869 2 690 . 1 . 1 75 75 ARG CA C 13 59.010 0.032 . 1 . . . . A 71 ARG CA . 34869 2 691 . 1 . 1 75 75 ARG CB C 13 29.765 0.002 . 1 . . . . A 71 ARG CB . 34869 2 692 . 1 . 1 75 75 ARG CG C 13 27.154 0.036 . 1 . . . . A 71 ARG CG . 34869 2 693 . 1 . 1 75 75 ARG CD C 13 43.342 0.011 . 1 . . . . A 71 ARG CD . 34869 2 694 . 1 . 1 76 76 PHE HA H 1 4.144 0.005 . 1 . . . . A 72 PHE HA . 34869 2 695 . 1 . 1 76 76 PHE HB2 H 1 3.082 0.002 . 2 . . . . A 72 PHE HB2 . 34869 2 696 . 1 . 1 76 76 PHE HB3 H 1 2.318 0.002 . 2 . . . . A 72 PHE HB3 . 34869 2 697 . 1 . 1 76 76 PHE HD1 H 1 6.890 0.007 . 1 . . . . A 72 PHE HD1 . 34869 2 698 . 1 . 1 76 76 PHE HD2 H 1 6.890 0.007 . 1 . . . . A 72 PHE HD2 . 34869 2 699 . 1 . 1 76 76 PHE HE1 H 1 7.301 0.006 . 1 . . . . A 72 PHE HE1 . 34869 2 700 . 1 . 1 76 76 PHE HE2 H 1 7.301 0.006 . 1 . . . . A 72 PHE HE2 . 34869 2 701 . 1 . 1 76 76 PHE HZ H 1 7.357 0.002 . 1 . . . . A 72 PHE HZ . 34869 2 702 . 1 . 1 76 76 PHE CA C 13 60.748 0.026 . 1 . . . . A 72 PHE CA . 34869 2 703 . 1 . 1 76 76 PHE CB C 13 38.002 0.017 . 1 . . . . A 72 PHE CB . 34869 2 704 . 1 . 1 76 76 PHE CD1 C 13 131.092 0.030 . 1 . . . . A 72 PHE CD1 . 34869 2 705 . 1 . 1 76 76 PHE CD2 C 13 131.092 0.030 . 1 . . . . A 72 PHE CD2 . 34869 2 706 . 1 . 1 76 76 PHE CE1 C 13 131.022 0.033 . 1 . . . . A 72 PHE CE1 . 34869 2 707 . 1 . 1 76 76 PHE CE2 C 13 131.022 0.033 . 1 . . . . A 72 PHE CE2 . 34869 2 708 . 1 . 1 76 76 PHE CZ C 13 131.049 0.000 . 1 . . . . A 72 PHE CZ . 34869 2 709 . 1 . 1 77 77 VAL HA H 1 2.913 0.002 . 1 . . . . A 73 VAL HA . 34869 2 710 . 1 . 1 77 77 VAL HB H 1 1.845 0.010 . 1 . . . . A 73 VAL HB . 34869 2 711 . 1 . 1 77 77 VAL HG11 H 1 0.057 0.003 . 2 . . . . A 73 VAL HG11 . 34869 2 712 . 1 . 1 77 77 VAL HG12 H 1 0.057 0.003 . 2 . . . . A 73 VAL HG12 . 34869 2 713 . 1 . 1 77 77 VAL HG13 H 1 0.057 0.003 . 2 . . . . A 73 VAL HG13 . 34869 2 714 . 1 . 1 77 77 VAL HG21 H 1 0.780 0.005 . 2 . . . . A 73 VAL HG21 . 34869 2 715 . 1 . 1 77 77 VAL HG22 H 1 0.780 0.005 . 2 . . . . A 73 VAL HG22 . 34869 2 716 . 1 . 1 77 77 VAL HG23 H 1 0.780 0.005 . 2 . . . . A 73 VAL HG23 . 34869 2 717 . 1 . 1 77 77 VAL CA C 13 67.113 0.016 . 1 . . . . A 73 VAL CA . 34869 2 718 . 1 . 1 77 77 VAL CB C 13 30.837 0.005 . 1 . . . . A 73 VAL CB . 34869 2 719 . 1 . 1 77 77 VAL CG1 C 13 20.246 0.038 . 2 . . . . A 73 VAL CG1 . 34869 2 720 . 1 . 1 77 77 VAL CG2 C 13 21.848 0.047 . 2 . . . . A 73 VAL CG2 . 34869 2 721 . 1 . 1 78 78 GLU HA H 1 3.636 0.005 . 1 . . . . A 74 GLU HA . 34869 2 722 . 1 . 1 78 78 GLU HB2 H 1 2.071 0.010 . 2 . . . . A 74 GLU HB2 . 34869 2 723 . 1 . 1 78 78 GLU HB3 H 1 2.080 0.012 . 2 . . . . A 74 GLU HB3 . 34869 2 724 . 1 . 1 78 78 GLU HG2 H 1 2.138 0.012 . 2 . . . . A 74 GLU HG2 . 34869 2 725 . 1 . 1 78 78 GLU HG3 H 1 2.228 0.011 . 2 . . . . A 74 GLU HG3 . 34869 2 726 . 1 . 1 78 78 GLU CA C 13 59.808 0.047 . 1 . . . . A 74 GLU CA . 34869 2 727 . 1 . 1 78 78 GLU CB C 13 29.880 0.035 . 1 . . . . A 74 GLU CB . 34869 2 728 . 1 . 1 78 78 GLU CG C 13 36.453 0.026 . 1 . . . . A 74 GLU CG . 34869 2 729 . 1 . 1 79 79 GLN HA H 1 4.062 0.003 . 1 . . . . A 75 GLN HA . 34869 2 730 . 1 . 1 79 79 GLN HB2 H 1 2.045 0.027 . 2 . . . . A 75 GLN HB2 . 34869 2 731 . 1 . 1 79 79 GLN HB3 H 1 2.090 0.002 . 2 . . . . A 75 GLN HB3 . 34869 2 732 . 1 . 1 79 79 GLN HG2 H 1 2.522 0.004 . 2 . . . . A 75 GLN HG2 . 34869 2 733 . 1 . 1 79 79 GLN HG3 H 1 2.387 0.010 . 2 . . . . A 75 GLN HG3 . 34869 2 734 . 1 . 1 79 79 GLN CA C 13 58.104 0.044 . 1 . . . . A 75 GLN CA . 34869 2 735 . 1 . 1 79 79 GLN CB C 13 28.296 0.017 . 1 . . . . A 75 GLN CB . 34869 2 736 . 1 . 1 79 79 GLN CG C 13 34.144 0.059 . 1 . . . . A 75 GLN CG . 34869 2 737 . 1 . 1 80 80 SER HA H 1 4.087 0.002 . 1 . . . . A 76 SER HA . 34869 2 738 . 1 . 1 80 80 SER HB2 H 1 3.596 0.034 . 2 . . . . A 76 SER HB2 . 34869 2 739 . 1 . 1 80 80 SER HB3 H 1 3.554 0.024 . 2 . . . . A 76 SER HB3 . 34869 2 740 . 1 . 1 80 80 SER CA C 13 60.831 0.007 . 1 . . . . A 76 SER CA . 34869 2 741 . 1 . 1 80 80 SER CB C 13 62.877 0.036 . 1 . . . . A 76 SER CB . 34869 2 742 . 1 . 1 81 81 ARG HA H 1 4.110 0.004 . 1 . . . . A 77 ARG HA . 34869 2 743 . 1 . 1 81 81 ARG HB2 H 1 1.864 0.022 . 2 . . . . A 77 ARG HB2 . 34869 2 744 . 1 . 1 81 81 ARG HB3 H 1 1.876 0.019 . 2 . . . . A 77 ARG HB3 . 34869 2 745 . 1 . 1 81 81 ARG HG2 H 1 1.663 0.015 . 2 . . . . A 77 ARG HG2 . 34869 2 746 . 1 . 1 81 81 ARG HG3 H 1 1.768 0.007 . 2 . . . . A 77 ARG HG3 . 34869 2 747 . 1 . 1 81 81 ARG HD2 H 1 3.167 0.006 . 2 . . . . A 77 ARG HD2 . 34869 2 748 . 1 . 1 81 81 ARG HD3 H 1 3.064 0.002 . 2 . . . . A 77 ARG HD3 . 34869 2 749 . 1 . 1 81 81 ARG CA C 13 57.517 0.049 . 1 . . . . A 77 ARG CA . 34869 2 750 . 1 . 1 81 81 ARG CB C 13 30.696 0.073 . 1 . . . . A 77 ARG CB . 34869 2 751 . 1 . 1 81 81 ARG CG C 13 26.770 0.043 . 1 . . . . A 77 ARG CG . 34869 2 752 . 1 . 1 81 81 ARG CD C 13 44.097 0.015 . 1 . . . . A 77 ARG CD . 34869 2 753 . 1 . 1 82 82 ASP HA H 1 4.647 0.005 . 1 . . . . A 78 ASP HA . 34869 2 754 . 1 . 1 82 82 ASP HB2 H 1 2.809 0.003 . 2 . . . . A 78 ASP HB2 . 34869 2 755 . 1 . 1 82 82 ASP HB3 H 1 2.703 0.002 . 2 . . . . A 78 ASP HB3 . 34869 2 756 . 1 . 1 82 82 ASP CA C 13 55.159 0.028 . 1 . . . . A 78 ASP CA . 34869 2 757 . 1 . 1 82 82 ASP CB C 13 41.022 0.012 . 1 . . . . A 78 ASP CB . 34869 2 758 . 1 . 1 83 83 THR HA H 1 4.281 0.001 . 1 . . . . A 79 THR HA . 34869 2 759 . 1 . 1 83 83 THR HB H 1 4.341 0.002 . 1 . . . . A 79 THR HB . 34869 2 760 . 1 . 1 83 83 THR HG21 H 1 1.267 0.005 . 1 . . . . A 79 THR HG21 . 34869 2 761 . 1 . 1 83 83 THR HG22 H 1 1.267 0.005 . 1 . . . . A 79 THR HG22 . 34869 2 762 . 1 . 1 83 83 THR HG23 H 1 1.267 0.005 . 1 . . . . A 79 THR HG23 . 34869 2 763 . 1 . 1 83 83 THR CA C 13 62.899 0.005 . 1 . . . . A 79 THR CA . 34869 2 764 . 1 . 1 83 83 THR CB C 13 69.481 0.007 . 1 . . . . A 79 THR CB . 34869 2 765 . 1 . 1 83 83 THR CG2 C 13 21.610 0.033 . 1 . . . . A 79 THR CG2 . 34869 2 766 . 1 . 1 84 84 GLY HA2 H 1 3.986 0.003 . 1 . . . . A 80 GLY HA2 . 34869 2 767 . 1 . 1 84 84 GLY HA3 H 1 3.986 0.003 . 1 . . . . A 80 GLY HA3 . 34869 2 768 . 1 . 1 84 84 GLY CA C 13 45.559 0.007 . 1 . . . . A 80 GLY CA . 34869 2 769 . 1 . 1 85 85 ARG HA H 1 4.339 0.002 . 1 . . . . A 81 ARG HA . 34869 2 770 . 1 . 1 85 85 ARG HB2 H 1 1.849 0.016 . 2 . . . . A 81 ARG HB2 . 34869 2 771 . 1 . 1 85 85 ARG HB3 H 1 1.808 0.028 . 2 . . . . A 81 ARG HB3 . 34869 2 772 . 1 . 1 85 85 ARG HG2 H 1 1.623 0.015 . 2 . . . . A 81 ARG HG2 . 34869 2 773 . 1 . 1 85 85 ARG HG3 H 1 1.634 0.015 . 2 . . . . A 81 ARG HG3 . 34869 2 774 . 1 . 1 85 85 ARG HD2 H 1 3.220 0.001 . 1 . . . . A 81 ARG HD2 . 34869 2 775 . 1 . 1 85 85 ARG HD3 H 1 3.220 0.001 . 1 . . . . A 81 ARG HD3 . 34869 2 776 . 1 . 1 85 85 ARG CA C 13 55.944 0.029 . 1 . . . . A 81 ARG CA . 34869 2 777 . 1 . 1 85 85 ARG CB C 13 30.863 0.020 . 1 . . . . A 81 ARG CB . 34869 2 778 . 1 . 1 85 85 ARG CG C 13 27.173 0.048 . 1 . . . . A 81 ARG CG . 34869 2 779 . 1 . 1 85 85 ARG CD C 13 43.276 0.011 . 1 . . . . A 81 ARG CD . 34869 2 780 . 1 . 1 86 86 ASN HA H 1 4.994 0.006 . 1 . . . . A 82 ASN HA . 34869 2 781 . 1 . 1 86 86 ASN HB2 H 1 2.876 0.015 . 2 . . . . A 82 ASN HB2 . 34869 2 782 . 1 . 1 86 86 ASN HB3 H 1 2.742 0.004 . 2 . . . . A 82 ASN HB3 . 34869 2 783 . 1 . 1 86 86 ASN CA C 13 51.168 0.035 . 1 . . . . A 82 ASN CA . 34869 2 784 . 1 . 1 86 86 ASN CB C 13 38.849 0.037 . 1 . . . . A 82 ASN CB . 34869 2 785 . 1 . 1 87 87 PRO HA H 1 4.420 0.002 . 1 . . . . A 83 PRO HA . 34869 2 786 . 1 . 1 87 87 PRO HB2 H 1 2.305 0.017 . 2 . . . . A 83 PRO HB2 . 34869 2 787 . 1 . 1 87 87 PRO HB3 H 1 1.975 0.024 . 2 . . . . A 83 PRO HB3 . 34869 2 788 . 1 . 1 87 87 PRO HG2 H 1 2.028 0.003 . 1 . . . . A 83 PRO HG2 . 34869 2 789 . 1 . 1 87 87 PRO HG3 H 1 2.028 0.003 . 1 . . . . A 83 PRO HG3 . 34869 2 790 . 1 . 1 87 87 PRO HD2 H 1 3.810 0.019 . 2 . . . . A 83 PRO HD2 . 34869 2 791 . 1 . 1 87 87 PRO HD3 H 1 3.777 0.017 . 2 . . . . A 83 PRO HD3 . 34869 2 792 . 1 . 1 87 87 PRO CA C 13 63.611 0.011 . 1 . . . . A 83 PRO CA . 34869 2 793 . 1 . 1 87 87 PRO CB C 13 32.038 0.023 . 1 . . . . A 83 PRO CB . 34869 2 794 . 1 . 1 87 87 PRO CG C 13 27.247 0.035 . 1 . . . . A 83 PRO CG . 34869 2 795 . 1 . 1 87 87 PRO CD C 13 50.800 0.010 . 1 . . . . A 83 PRO CD . 34869 2 796 . 1 . 1 88 88 ALA HA H 1 4.310 0.000 . 1 . . . . A 84 ALA HA . 34869 2 797 . 1 . 1 88 88 ALA HB1 H 1 1.401 0.000 . 1 . . . . A 84 ALA HB1 . 34869 2 798 . 1 . 1 88 88 ALA HB2 H 1 1.401 0.000 . 1 . . . . A 84 ALA HB2 . 34869 2 799 . 1 . 1 88 88 ALA HB3 H 1 1.401 0.000 . 1 . . . . A 84 ALA HB3 . 34869 2 800 . 1 . 1 88 88 ALA CA C 13 52.366 0.000 . 1 . . . . A 84 ALA CA . 34869 2 801 . 1 . 1 88 88 ALA CB C 13 18.986 0.000 . 1 . . . . A 84 ALA CB . 34869 2 802 . 1 . 1 89 89 ALA HA H 1 4.373 0.000 . 1 . . . . A 85 ALA HA . 34869 2 803 . 1 . 1 89 89 ALA HB1 H 1 1.418 0.003 . 1 . . . . A 85 ALA HB1 . 34869 2 804 . 1 . 1 89 89 ALA HB2 H 1 1.418 0.003 . 1 . . . . A 85 ALA HB2 . 34869 2 805 . 1 . 1 89 89 ALA HB3 H 1 1.418 0.003 . 1 . . . . A 85 ALA HB3 . 34869 2 806 . 1 . 1 89 89 ALA CA C 13 52.303 0.000 . 1 . . . . A 85 ALA CA . 34869 2 807 . 1 . 1 89 89 ALA CB C 13 19.217 0.000 . 1 . . . . A 85 ALA CB . 34869 2 808 . 1 . 1 90 90 GLN HA H 1 4.428 0.006 . 1 . . . . A 86 GLN HA . 34869 2 809 . 1 . 1 90 90 GLN HB2 H 1 2.180 0.009 . 2 . . . . A 86 GLN HB2 . 34869 2 810 . 1 . 1 90 90 GLN HB3 H 1 2.033 0.000 . 2 . . . . A 86 GLN HB3 . 34869 2 811 . 1 . 1 90 90 GLN HG2 H 1 2.406 0.000 . 2 . . . . A 86 GLN HG2 . 34869 2 812 . 1 . 1 90 90 GLN HG3 H 1 2.402 0.003 . 2 . . . . A 86 GLN HG3 . 34869 2 813 . 1 . 1 90 90 GLN CA C 13 55.632 0.064 . 1 . . . . A 86 GLN CA . 34869 2 814 . 1 . 1 90 90 GLN CB C 13 29.517 0.030 . 1 . . . . A 86 GLN CB . 34869 2 815 . 1 . 1 90 90 GLN CG C 13 33.837 0.000 . 1 . . . . A 86 GLN CG . 34869 2 816 . 1 . 1 91 91 THR HA H 1 4.368 0.001 . 1 . . . . A 87 THR HA . 34869 2 817 . 1 . 1 91 91 THR HB H 1 4.261 0.002 . 1 . . . . A 87 THR HB . 34869 2 818 . 1 . 1 91 91 THR HG21 H 1 1.213 0.000 . 1 . . . . A 87 THR HG21 . 34869 2 819 . 1 . 1 91 91 THR HG22 H 1 1.213 0.000 . 1 . . . . A 87 THR HG22 . 34869 2 820 . 1 . 1 91 91 THR HG23 H 1 1.213 0.000 . 1 . . . . A 87 THR HG23 . 34869 2 821 . 1 . 1 91 91 THR CA C 13 61.730 0.004 . 1 . . . . A 87 THR CA . 34869 2 822 . 1 . 1 91 91 THR CB C 13 69.828 0.001 . 1 . . . . A 87 THR CB . 34869 2 823 . 1 . 1 91 91 THR CG2 C 13 21.349 0.000 . 1 . . . . A 87 THR CG2 . 34869 2 824 . 1 . 1 92 92 GLN HA H 1 4.199 0.001 . 1 . . . . A 88 GLN HA . 34869 2 825 . 1 . 1 92 92 GLN HB2 H 1 2.140 0.003 . 2 . . . . A 88 GLN HB2 . 34869 2 826 . 1 . 1 92 92 GLN HB3 H 1 1.951 0.000 . 2 . . . . A 88 GLN HB3 . 34869 2 827 . 1 . 1 92 92 GLN HG2 H 1 2.313 0.003 . 2 . . . . A 88 GLN HG2 . 34869 2 828 . 1 . 1 92 92 GLN HG3 H 1 2.318 0.000 . 2 . . . . A 88 GLN HG3 . 34869 2 829 . 1 . 1 92 92 GLN CA C 13 57.375 0.001 . 1 . . . . A 88 GLN CA . 34869 2 830 . 1 . 1 92 92 GLN CB C 13 30.402 0.031 . 1 . . . . A 88 GLN CB . 34869 2 831 . 1 . 1 92 92 GLN CG C 13 34.316 0.000 . 1 . . . . A 88 GLN CG . 34869 2 stop_ save_