data_17673 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17673 _Entry.Title ; Not Available ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-30 _Entry.Accession_date 2011-05-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gaofeng Cui . . . 17673 2 Maria Botuyan V. . . 17673 3 Georges Mer . . . 17673 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17673 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Epigenetics . 17673 'Methylated lysine analogue' . 17673 'Methylated p53' . 17673 PHF20 . 17673 Protein . 17673 'Tudor domain' . 17673 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17673 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 17673 '15N chemical shifts' 78 17673 '1H chemical shifts' 519 17673 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-26 2011-05-30 update author 'update entry citation' 17673 1 . . 2012-05-09 2011-05-30 original author 'original release' 17673 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LDM 'BMRB Entry Tracking System' 17673 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17673 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22864287 _Citation.Full_citation . _Citation.Title 'PHF20 is an effector protein of p53 double lysine methylation that stabilizes and activates p53' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 916 _Citation.Page_last 924 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gaofeng Cui . . . 17673 1 2 Sungman Park . . . 17673 1 3 Aimee Badeaux . I. . 17673 1 4 Donghwa Kim . . . 17673 1 5 Joseph Lee . . . 17673 1 6 James Thompson . R. . 17673 1 7 Fei Yan . . . 17673 1 8 Satoshi Kaneko . . . 17673 1 9 Zengqiang Yuan . . . 17673 1 10 Maria Botuyan . V. . 17673 1 11 Mark Bedford . T. . 17673 1 12 Jin Cheng . Q. . 17673 1 13 Georges Mer . . . 17673 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17673 _Assembly.ID 1 _Assembly.Name TDRD7 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TDRD7 1 $entity A . yes native no no . . . 17673 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17673 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMSSEFQINEQVLASWSDS RFYPAKVTAVNKDGTYTVKF YDGVVQTVKHIHVKAFSKDQ NIVGNARGSRAHSSHLXSKK G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details X=M2L _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8743.901 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LDM . "Solution Structure Of Human Phf20 Tudor2 Domain Bound To A P53 Segment Containing A Dimethyllysine Analog P53k370me2" . . . . . 100.00 81 100.00 100.00 3.20e-50 . . . . 17673 1 2 no PDB 3P8D . "Crystal Structure Of The Second Tudor Domain Of Human Phf20 (Homodimer Form)" . . . . . 82.72 67 97.01 97.01 6.57e-40 . . . . 17673 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 81 GLY . 17673 1 2 82 HIS . 17673 1 3 83 MET . 17673 1 4 84 SER . 17673 1 5 85 SER . 17673 1 6 86 GLU . 17673 1 7 87 PHE . 17673 1 8 88 GLN . 17673 1 9 89 ILE . 17673 1 10 90 ASN . 17673 1 11 91 GLU . 17673 1 12 92 GLN . 17673 1 13 93 VAL . 17673 1 14 94 LEU . 17673 1 15 95 ALA . 17673 1 16 96 SER . 17673 1 17 97 TRP . 17673 1 18 98 SER . 17673 1 19 99 ASP . 17673 1 20 100 SER . 17673 1 21 101 ARG . 17673 1 22 102 PHE . 17673 1 23 103 TYR . 17673 1 24 104 PRO . 17673 1 25 105 ALA . 17673 1 26 106 LYS . 17673 1 27 107 VAL . 17673 1 28 108 THR . 17673 1 29 109 ALA . 17673 1 30 110 VAL . 17673 1 31 111 ASN . 17673 1 32 112 LYS . 17673 1 33 113 ASP . 17673 1 34 114 GLY . 17673 1 35 115 THR . 17673 1 36 116 TYR . 17673 1 37 117 THR . 17673 1 38 118 VAL . 17673 1 39 119 LYS . 17673 1 40 120 PHE . 17673 1 41 121 TYR . 17673 1 42 122 ASP . 17673 1 43 123 GLY . 17673 1 44 124 VAL . 17673 1 45 125 VAL . 17673 1 46 126 GLN . 17673 1 47 127 THR . 17673 1 48 128 VAL . 17673 1 49 129 LYS . 17673 1 50 130 HIS . 17673 1 51 131 ILE . 17673 1 52 132 HIS . 17673 1 53 133 VAL . 17673 1 54 134 LYS . 17673 1 55 135 ALA . 17673 1 56 136 PHE . 17673 1 57 137 SER . 17673 1 58 138 LYS . 17673 1 59 139 ASP . 17673 1 60 140 GLN . 17673 1 61 141 ASN . 17673 1 62 142 ILE . 17673 1 63 143 VAL . 17673 1 64 144 GLY . 17673 1 65 145 ASN . 17673 1 66 146 ALA . 17673 1 67 147 ARG . 17673 1 68 200 GLY . 17673 1 69 201 SER . 17673 1 70 363 ARG . 17673 1 71 364 ALA . 17673 1 72 365 HIS . 17673 1 73 366 SER . 17673 1 74 367 SER . 17673 1 75 368 HIS . 17673 1 76 369 LEU . 17673 1 77 370 M2L . 17673 1 78 371 SER . 17673 1 79 372 LYS . 17673 1 80 373 LYS . 17673 1 81 374 GLY . 17673 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 17673 1 . HIS 2 2 17673 1 . MET 3 3 17673 1 . SER 4 4 17673 1 . SER 5 5 17673 1 . GLU 6 6 17673 1 . PHE 7 7 17673 1 . GLN 8 8 17673 1 . ILE 9 9 17673 1 . ASN 10 10 17673 1 . GLU 11 11 17673 1 . GLN 12 12 17673 1 . VAL 13 13 17673 1 . LEU 14 14 17673 1 . ALA 15 15 17673 1 . SER 16 16 17673 1 . TRP 17 17 17673 1 . SER 18 18 17673 1 . ASP 19 19 17673 1 . SER 20 20 17673 1 . ARG 21 21 17673 1 . PHE 22 22 17673 1 . TYR 23 23 17673 1 . PRO 24 24 17673 1 . ALA 25 25 17673 1 . LYS 26 26 17673 1 . VAL 27 27 17673 1 . THR 28 28 17673 1 . ALA 29 29 17673 1 . VAL 30 30 17673 1 . ASN 31 31 17673 1 . LYS 32 32 17673 1 . ASP 33 33 17673 1 . GLY 34 34 17673 1 . THR 35 35 17673 1 . TYR 36 36 17673 1 . THR 37 37 17673 1 . VAL 38 38 17673 1 . LYS 39 39 17673 1 . PHE 40 40 17673 1 . TYR 41 41 17673 1 . ASP 42 42 17673 1 . GLY 43 43 17673 1 . VAL 44 44 17673 1 . VAL 45 45 17673 1 . GLN 46 46 17673 1 . THR 47 47 17673 1 . VAL 48 48 17673 1 . LYS 49 49 17673 1 . HIS 50 50 17673 1 . ILE 51 51 17673 1 . HIS 52 52 17673 1 . VAL 53 53 17673 1 . LYS 54 54 17673 1 . ALA 55 55 17673 1 . PHE 56 56 17673 1 . SER 57 57 17673 1 . LYS 58 58 17673 1 . ASP 59 59 17673 1 . GLN 60 60 17673 1 . ASN 61 61 17673 1 . ILE 62 62 17673 1 . VAL 63 63 17673 1 . GLY 64 64 17673 1 . ASN 65 65 17673 1 . ALA 66 66 17673 1 . ARG 67 67 17673 1 . GLY 68 68 17673 1 . SER 69 69 17673 1 . ARG 70 70 17673 1 . ALA 71 71 17673 1 . HIS 72 72 17673 1 . SER 73 73 17673 1 . SER 74 74 17673 1 . HIS 75 75 17673 1 . LEU 76 76 17673 1 . M2L 77 77 17673 1 . SER 78 78 17673 1 . LYS 79 79 17673 1 . LYS 80 80 17673 1 . GLY 81 81 17673 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 17673 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17673 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 17673 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTEV . . . . . . 17673 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_M2L _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_M2L _Chem_comp.Entry_ID 17673 _Chem_comp.ID M2L _Chem_comp.Provenance . _Chem_comp.Name '(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code M2L _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2008-04-09 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code M2L _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C7 H16 N2 O2 S' _Chem_comp.Formula_weight 192.279 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3C1C _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:11:07 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CN(C)CCSCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 17673 M2L CN(C)CCSC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17673 M2L CN(C)CCSC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 17673 M2L CN(C)CCSC[CH](N)C(O)=O SMILES CACTVS 3.341 17673 M2L InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1 InChI InChI 1.03 17673 M2L O=C(O)C(N)CSCCN(C)C SMILES ACDLabs 10.04 17673 M2L XLXDHBGRMHYTIO-LURJTMIESA-N InChIKey InChI 1.03 17673 M2L stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17673 M2L S-[2-(dimethylamino)ethyl]-L-cysteine 'SYSTEMATIC NAME' ACDLabs 10.04 17673 M2L stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 18.472 . -0.954 . 50.530 . 2.585 1.738 0.007 1 . 17673 M2L CA . CA . . C . . R 0 . . . . no no . . . . 17.838 . -1.557 . 51.702 . 2.483 0.334 0.427 2 . 17673 M2L CB . CB . . C . . N 0 . . . . no no . . . . 17.776 . -0.645 . 52.919 . 1.195 -0.273 -0.133 3 . 17673 M2L SG . SG . . S . . N 0 . . . . no no . . . . 18.970 . -1.187 . 54.146 . -0.233 0.652 0.496 4 . 17673 M2L CD . CD . . C . . N 0 . . . . no no . . . . 18.030 . -2.555 . 54.882 . -1.640 -0.202 -0.265 5 . 17673 M2L CE . CE . . C . . N 0 . . . . no no . . . . 18.628 . -2.838 . 56.322 . -2.943 0.469 0.174 6 . 17673 M2L NZ . NZ . . N . . N 0 . . . . no no . . . . 20.091 . -3.243 . 56.154 . -4.083 -0.223 -0.442 7 . 17673 M2L CM1 . CM1 . . C . . N 0 . . . . no no . . . . 20.990 . -3.407 . 54.906 . -4.206 -1.594 0.070 8 . 17673 M2L CM2 . CM2 . . C . . N 0 . . . . no no . . . . 20.951 . -3.631 . 57.420 . -5.328 0.529 -0.239 9 . 17673 M2L C . C . . C . . N 0 . . . . no no . . . . 16.427 . -1.806 . 51.248 . 3.669 -0.434 -0.096 10 . 17673 M2L O . O . . O . . N 0 . . . . no no . . . . 16.010 . -1.389 . 50.153 . 4.310 0.002 -1.023 11 . 17673 M2L OXT . OXT . . O . . N 0 . . . . no yes . . . . 15.681 . -2.507 . 52.080 . 4.014 -1.602 0.468 12 . 17673 M2L HN . HN . . H . . N 0 . . . . no no . . . . 17.788 . -0.816 . 49.814 . 3.394 2.180 0.418 13 . 17673 M2L HNA . HNA . . H . . N 0 . . . . no yes . . . . 18.871 . -0.073 . 50.783 . 2.602 1.815 -0.998 14 . 17673 M2L HA . HA . . H . . N 0 . . . . no no . . . . 18.409 . -2.442 . 52.020 . 2.466 0.280 1.515 15 . 17673 M2L HB . HB . . H . . N 0 . . . . no no . . . . 18.008 . 0.386 . 52.614 . 1.211 -0.219 -1.222 16 . 17673 M2L HBA . HBA . . H . . N 0 . . . . no no . . . . 16.766 . -0.685 . 53.352 . 1.119 -1.315 0.178 17 . 17673 M2L HD . HD . . H . . N 0 . . . . no no . . . . 16.968 . -2.281 . 54.963 . -1.553 -0.150 -1.350 18 . 17673 M2L HDA . HDA . . H . . N 0 . . . . no no . . . . 18.107 . -3.454 . 54.253 . -1.645 -1.246 0.049 19 . 17673 M2L HE . HE . . H . . N 0 . . . . no no . . . . 18.558 . -1.932 . 56.943 . -3.031 0.417 1.260 20 . 17673 M2L HEA . HEA . . H . . N 0 . . . . no no . . . . 18.064 . -3.642 . 56.818 . -2.938 1.513 -0.140 21 . 17673 M2L HM1 . HM1 . . H . . N 0 . . . . no no . . . . 20.362 . -3.446 . 54.004 . -4.356 -1.567 1.149 22 . 17673 M2L HM1A . HM1A . . H . . N 0 . . . . no no . . . . 21.679 . -2.553 . 54.836 . -5.058 -2.084 -0.403 23 . 17673 M2L HM1B . HM1B . . H . . N 0 . . . . no no . . . . 21.568 . -4.339 . 54.991 . -3.296 -2.150 -0.156 24 . 17673 M2L HM2 . HM2 . . H . . N 0 . . . . no no . . . . 22.009 . -3.721 . 57.132 . -5.234 1.517 -0.689 25 . 17673 M2L HM2A . HM2A . . H . . N 0 . . . . no no . . . . 20.846 . -2.850 . 58.188 . -6.156 -0.005 -0.705 26 . 17673 M2L HM2B . HM2B . . H . . N 0 . . . . no no . . . . 20.598 . -4.592 . 57.822 . -5.519 0.633 0.829 27 . 17673 M2L HOXT . HOXT . . H . . N 0 . . . . no yes . . . . 14.816 . -2.626 . 51.707 . 4.782 -2.058 0.098 28 . 17673 M2L stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 17673 M2L 2 . SING N HN no N 2 . 17673 M2L 3 . SING N HNA no N 3 . 17673 M2L 4 . SING C CA no N 4 . 17673 M2L 5 . SING CA CB no N 5 . 17673 M2L 6 . SING CA HA no N 6 . 17673 M2L 7 . SING CB SG no N 7 . 17673 M2L 8 . SING CB HB no N 8 . 17673 M2L 9 . SING CB HBA no N 9 . 17673 M2L 10 . SING SG CD no N 10 . 17673 M2L 11 . SING CD CE no N 11 . 17673 M2L 12 . SING CD HD no N 12 . 17673 M2L 13 . SING CD HDA no N 13 . 17673 M2L 14 . SING NZ CE no N 14 . 17673 M2L 15 . SING CE HE no N 15 . 17673 M2L 16 . SING CE HEA no N 16 . 17673 M2L 17 . SING CM1 NZ no N 17 . 17673 M2L 18 . SING NZ CM2 no N 18 . 17673 M2L 19 . SING CM1 HM1 no N 19 . 17673 M2L 20 . SING CM1 HM1A no N 20 . 17673 M2L 21 . SING CM1 HM1B no N 21 . 17673 M2L 22 . SING CM2 HM2 no N 22 . 17673 M2L 23 . SING CM2 HM2A no N 23 . 17673 M2L 24 . SING CM2 HM2B no N 24 . 17673 M2L 25 . DOUB O C no N 25 . 17673 M2L 26 . SING C OXT no N 26 . 17673 M2L 27 . SING OXT HOXT no N 27 . 17673 M2L stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17673 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 17673 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17673 1 3 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 17673 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17673 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17673 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17673 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 17673 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17673 2 3 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 17673 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17673 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17673 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17673 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.025 . M 17673 1 pH 7.5 . pH 17673 1 pressure 1 . atm 17673 1 temperature 298 . K 17673 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17673 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17673 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17673 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17673 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17673 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17673 2 processing 17673 2 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 17673 _Software.ID 3 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 17673 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17673 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17673 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17673 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17673 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17673 _Software.ID 5 _Software.Name AMBER _Software.Version 8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17673 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17673 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17673 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17673 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17673 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 17673 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 8 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 10 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 11 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17673 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17673 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17673 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17673 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17673 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17673 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 17673 1 3 '2D 1H-13C HSQC aliphatic' . . . 17673 1 4 '2D 1H-13C HSQC aromatic' . . . 17673 1 14 '3D 1H-13C NOESY aliphatic' . . . 17673 1 15 '3D 1H-13C NOESY aromatic' . . . 17673 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 SER HA H 1 4.436 0.03 . 1 . . . A 85 SER HA . 17673 1 2 . 1 1 5 5 SER HB2 H 1 3.828 0.03 . 2 . . . A 85 SER HB2 . 17673 1 3 . 1 1 5 5 SER HB3 H 1 3.949 0.03 . 2 . . . A 85 SER HB3 . 17673 1 4 . 1 1 5 5 SER C C 13 173.840 0.30 . 1 . . . A 85 SER C . 17673 1 5 . 1 1 5 5 SER CA C 13 58.100 0.30 . 1 . . . A 85 SER CA . 17673 1 6 . 1 1 5 5 SER CB C 13 64.010 0.30 . 1 . . . A 85 SER CB . 17673 1 7 . 1 1 6 6 GLU H H 1 8.107 0.03 . 1 . . . A 86 GLU H . 17673 1 8 . 1 1 6 6 GLU HA H 1 4.051 0.03 . 1 . . . A 86 GLU HA . 17673 1 9 . 1 1 6 6 GLU HB2 H 1 1.766 0.03 . 2 . . . A 86 GLU HB2 . 17673 1 10 . 1 1 6 6 GLU HB3 H 1 1.766 0.03 . 2 . . . A 86 GLU HB3 . 17673 1 11 . 1 1 6 6 GLU HG2 H 1 2.059 0.03 . 2 . . . A 86 GLU HG2 . 17673 1 12 . 1 1 6 6 GLU HG3 H 1 1.814 0.03 . 2 . . . A 86 GLU HG3 . 17673 1 13 . 1 1 6 6 GLU C C 13 175.710 0.30 . 1 . . . A 86 GLU C . 17673 1 14 . 1 1 6 6 GLU CA C 13 57.119 0.30 . 1 . . . A 86 GLU CA . 17673 1 15 . 1 1 6 6 GLU CB C 13 30.746 0.30 . 1 . . . A 86 GLU CB . 17673 1 16 . 1 1 6 6 GLU CG C 13 36.141 0.30 . 1 . . . A 86 GLU CG . 17673 1 17 . 1 1 6 6 GLU N N 15 122.440 0.30 . 1 . . . A 86 GLU N . 17673 1 18 . 1 1 7 7 PHE H H 1 7.598 0.03 . 1 . . . A 87 PHE H . 17673 1 19 . 1 1 7 7 PHE HA H 1 4.873 0.03 . 1 . . . A 87 PHE HA . 17673 1 20 . 1 1 7 7 PHE HB2 H 1 2.195 0.03 . 2 . . . A 87 PHE HB2 . 17673 1 21 . 1 1 7 7 PHE HB3 H 1 2.759 0.03 . 2 . . . A 87 PHE HB3 . 17673 1 22 . 1 1 7 7 PHE HD1 H 1 6.893 0.03 . 3 . . . A 87 PHE HD1 . 17673 1 23 . 1 1 7 7 PHE HD2 H 1 6.893 0.03 . 3 . . . A 87 PHE HD2 . 17673 1 24 . 1 1 7 7 PHE HE1 H 1 7.076 0.03 . 3 . . . A 87 PHE HE1 . 17673 1 25 . 1 1 7 7 PHE HZ H 1 7.073 0.03 . 1 . . . A 87 PHE HZ . 17673 1 26 . 1 1 7 7 PHE C C 13 174.600 0.30 . 1 . . . A 87 PHE C . 17673 1 27 . 1 1 7 7 PHE CA C 13 57.125 0.30 . 1 . . . A 87 PHE CA . 17673 1 28 . 1 1 7 7 PHE CB C 13 40.769 0.30 . 1 . . . A 87 PHE CB . 17673 1 29 . 1 1 7 7 PHE CD1 C 13 132.242 0.30 . 3 . . . A 87 PHE CD1 . 17673 1 30 . 1 1 7 7 PHE CD2 C 13 131.306 0.30 . 3 . . . A 87 PHE CD2 . 17673 1 31 . 1 1 7 7 PHE CZ C 13 129.121 0.30 . 1 . . . A 87 PHE CZ . 17673 1 32 . 1 1 7 7 PHE N N 15 118.700 0.30 . 1 . . . A 87 PHE N . 17673 1 33 . 1 1 8 8 GLN H H 1 8.906 0.03 . 1 . . . A 88 GLN H . 17673 1 34 . 1 1 8 8 GLN HA H 1 4.678 0.03 . 1 . . . A 88 GLN HA . 17673 1 35 . 1 1 8 8 GLN HB2 H 1 1.890 0.03 . 2 . . . A 88 GLN HB2 . 17673 1 36 . 1 1 8 8 GLN HB3 H 1 2.240 0.03 . 2 . . . A 88 GLN HB3 . 17673 1 37 . 1 1 8 8 GLN HG2 H 1 2.452 0.03 . 2 . . . A 88 GLN HG2 . 17673 1 38 . 1 1 8 8 GLN HG3 H 1 2.452 0.03 . 2 . . . A 88 GLN HG3 . 17673 1 39 . 1 1 8 8 GLN HE21 H 1 7.574 0.03 . 2 . . . A 88 GLN HE21 . 17673 1 40 . 1 1 8 8 GLN HE22 H 1 6.862 0.03 . 2 . . . A 88 GLN HE22 . 17673 1 41 . 1 1 8 8 GLN C C 13 175.670 0.30 . 1 . . . A 88 GLN C . 17673 1 42 . 1 1 8 8 GLN CA C 13 53.455 0.30 . 1 . . . A 88 GLN CA . 17673 1 43 . 1 1 8 8 GLN CB C 13 31.900 0.30 . 1 . . . A 88 GLN CB . 17673 1 44 . 1 1 8 8 GLN CG C 13 34.020 0.30 . 1 . . . A 88 GLN CG . 17673 1 45 . 1 1 8 8 GLN N N 15 118.630 0.30 . 1 . . . A 88 GLN N . 17673 1 46 . 1 1 8 8 GLN NE2 N 15 113.960 0.30 . 1 . . . A 88 GLN NE2 . 17673 1 47 . 1 1 9 9 ILE H H 1 8.384 0.03 . 1 . . . A 89 ILE H . 17673 1 48 . 1 1 9 9 ILE HA H 1 3.396 0.03 . 1 . . . A 89 ILE HA . 17673 1 49 . 1 1 9 9 ILE HB H 1 1.721 0.03 . 1 . . . A 89 ILE HB . 17673 1 50 . 1 1 9 9 ILE HG12 H 1 1.066 0.03 . 1 . . . A 89 ILE HG12 . 17673 1 51 . 1 1 9 9 ILE HG13 H 1 1.608 0.03 . 1 . . . A 89 ILE HG13 . 17673 1 52 . 1 1 9 9 ILE HG21 H 1 0.918 0.03 . 1 . . . A 89 ILE HG21 . 17673 1 53 . 1 1 9 9 ILE HG22 H 1 0.918 0.03 . 1 . . . A 89 ILE HG22 . 17673 1 54 . 1 1 9 9 ILE HG23 H 1 0.918 0.03 . 1 . . . A 89 ILE HG23 . 17673 1 55 . 1 1 9 9 ILE HD11 H 1 0.948 0.03 . 1 . . . A 89 ILE HD11 . 17673 1 56 . 1 1 9 9 ILE HD12 H 1 0.948 0.03 . 1 . . . A 89 ILE HD12 . 17673 1 57 . 1 1 9 9 ILE HD13 H 1 0.948 0.03 . 1 . . . A 89 ILE HD13 . 17673 1 58 . 1 1 9 9 ILE C C 13 177.130 0.30 . 1 . . . A 89 ILE C . 17673 1 59 . 1 1 9 9 ILE CA C 13 63.692 0.30 . 1 . . . A 89 ILE CA . 17673 1 60 . 1 1 9 9 ILE CB C 13 37.430 0.30 . 1 . . . A 89 ILE CB . 17673 1 61 . 1 1 9 9 ILE CG1 C 13 28.694 0.30 . 1 . . . A 89 ILE CG1 . 17673 1 62 . 1 1 9 9 ILE CG2 C 13 17.442 0.30 . 1 . . . A 89 ILE CG2 . 17673 1 63 . 1 1 9 9 ILE CD1 C 13 13.046 0.30 . 1 . . . A 89 ILE CD1 . 17673 1 64 . 1 1 9 9 ILE N N 15 118.880 0.30 . 1 . . . A 89 ILE N . 17673 1 65 . 1 1 10 10 ASN H H 1 9.136 0.03 . 1 . . . A 90 ASN H . 17673 1 66 . 1 1 10 10 ASN HA H 1 4.244 0.03 . 1 . . . A 90 ASN HA . 17673 1 67 . 1 1 10 10 ASN HB2 H 1 3.308 0.03 . 2 . . . A 90 ASN HB2 . 17673 1 68 . 1 1 10 10 ASN HB3 H 1 3.061 0.03 . 2 . . . A 90 ASN HB3 . 17673 1 69 . 1 1 10 10 ASN HD21 H 1 7.696 0.03 . 2 . . . A 90 ASN HD21 . 17673 1 70 . 1 1 10 10 ASN HD22 H 1 7.021 0.03 . 2 . . . A 90 ASN HD22 . 17673 1 71 . 1 1 10 10 ASN C C 13 173.870 0.30 . 1 . . . A 90 ASN C . 17673 1 72 . 1 1 10 10 ASN CA C 13 55.690 0.30 . 1 . . . A 90 ASN CA . 17673 1 73 . 1 1 10 10 ASN CB C 13 37.400 0.30 . 1 . . . A 90 ASN CB . 17673 1 74 . 1 1 10 10 ASN N N 15 119.090 0.30 . 1 . . . A 90 ASN N . 17673 1 75 . 1 1 10 10 ASN ND2 N 15 114.080 0.30 . 1 . . . A 90 ASN ND2 . 17673 1 76 . 1 1 11 11 GLU H H 1 8.157 0.03 . 1 . . . A 91 GLU H . 17673 1 77 . 1 1 11 11 GLU HA H 1 4.204 0.03 . 1 . . . A 91 GLU HA . 17673 1 78 . 1 1 11 11 GLU HB2 H 1 2.159 0.03 . 2 . . . A 91 GLU HB2 . 17673 1 79 . 1 1 11 11 GLU HB3 H 1 2.093 0.03 . 2 . . . A 91 GLU HB3 . 17673 1 80 . 1 1 11 11 GLU HG2 H 1 2.347 0.03 . 2 . . . A 91 GLU HG2 . 17673 1 81 . 1 1 11 11 GLU HG3 H 1 2.425 0.03 . 2 . . . A 91 GLU HG3 . 17673 1 82 . 1 1 11 11 GLU C C 13 176.040 0.30 . 1 . . . A 91 GLU C . 17673 1 83 . 1 1 11 11 GLU CA C 13 57.700 0.30 . 1 . . . A 91 GLU CA . 17673 1 84 . 1 1 11 11 GLU CB C 13 31.380 0.30 . 1 . . . A 91 GLU CB . 17673 1 85 . 1 1 11 11 GLU CG C 13 36.891 0.30 . 1 . . . A 91 GLU CG . 17673 1 86 . 1 1 11 11 GLU N N 15 122.200 0.30 . 1 . . . A 91 GLU N . 17673 1 87 . 1 1 12 12 GLN H H 1 8.605 0.03 . 1 . . . A 92 GLN H . 17673 1 88 . 1 1 12 12 GLN HA H 1 4.834 0.03 . 1 . . . A 92 GLN HA . 17673 1 89 . 1 1 12 12 GLN HB2 H 1 1.886 0.03 . 2 . . . A 92 GLN HB2 . 17673 1 90 . 1 1 12 12 GLN HB3 H 1 1.984 0.03 . 2 . . . A 92 GLN HB3 . 17673 1 91 . 1 1 12 12 GLN HG2 H 1 2.067 0.03 . 2 . . . A 92 GLN HG2 . 17673 1 92 . 1 1 12 12 GLN HG3 H 1 2.261 0.03 . 2 . . . A 92 GLN HG3 . 17673 1 93 . 1 1 12 12 GLN HE21 H 1 6.753 0.03 . 2 . . . A 92 GLN HE21 . 17673 1 94 . 1 1 12 12 GLN HE22 H 1 6.934 0.03 . 2 . . . A 92 GLN HE22 . 17673 1 95 . 1 1 12 12 GLN C C 13 174.920 0.30 . 1 . . . A 92 GLN C . 17673 1 96 . 1 1 12 12 GLN CA C 13 55.726 0.30 . 1 . . . A 92 GLN CA . 17673 1 97 . 1 1 12 12 GLN CB C 13 28.992 0.30 . 1 . . . A 92 GLN CB . 17673 1 98 . 1 1 12 12 GLN CG C 13 34.101 0.30 . 1 . . . A 92 GLN CG . 17673 1 99 . 1 1 12 12 GLN N N 15 124.360 0.30 . 1 . . . A 92 GLN N . 17673 1 100 . 1 1 12 12 GLN NE2 N 15 111.330 0.30 . 1 . . . A 92 GLN NE2 . 17673 1 101 . 1 1 13 13 VAL H H 1 8.997 0.03 . 1 . . . A 93 VAL H . 17673 1 102 . 1 1 13 13 VAL HA H 1 4.703 0.03 . 1 . . . A 93 VAL HA . 17673 1 103 . 1 1 13 13 VAL HB H 1 1.994 0.03 . 1 . . . A 93 VAL HB . 17673 1 104 . 1 1 13 13 VAL HG11 H 1 0.183 0.03 . 2 . . . A 93 VAL HG11 . 17673 1 105 . 1 1 13 13 VAL HG12 H 1 0.183 0.03 . 2 . . . A 93 VAL HG12 . 17673 1 106 . 1 1 13 13 VAL HG13 H 1 0.183 0.03 . 2 . . . A 93 VAL HG13 . 17673 1 107 . 1 1 13 13 VAL HG21 H 1 0.116 0.03 . 2 . . . A 93 VAL HG21 . 17673 1 108 . 1 1 13 13 VAL HG22 H 1 0.116 0.03 . 2 . . . A 93 VAL HG22 . 17673 1 109 . 1 1 13 13 VAL HG23 H 1 0.116 0.03 . 2 . . . A 93 VAL HG23 . 17673 1 110 . 1 1 13 13 VAL C C 13 174.780 0.30 . 1 . . . A 93 VAL C . 17673 1 111 . 1 1 13 13 VAL CA C 13 59.533 0.30 . 1 . . . A 93 VAL CA . 17673 1 112 . 1 1 13 13 VAL CB C 13 35.987 0.30 . 1 . . . A 93 VAL CB . 17673 1 113 . 1 1 13 13 VAL CG1 C 13 17.196 0.30 . 1 . . . A 93 VAL CG1 . 17673 1 114 . 1 1 13 13 VAL CG2 C 13 21.825 0.30 . 1 . . . A 93 VAL CG2 . 17673 1 115 . 1 1 13 13 VAL N N 15 118.540 0.30 . 1 . . . A 93 VAL N . 17673 1 116 . 1 1 14 14 LEU H H 1 8.618 0.03 . 1 . . . A 94 LEU H . 17673 1 117 . 1 1 14 14 LEU HA H 1 5.002 0.03 . 1 . . . A 94 LEU HA . 17673 1 118 . 1 1 14 14 LEU HB2 H 1 1.142 0.03 . 2 . . . A 94 LEU HB2 . 17673 1 119 . 1 1 14 14 LEU HB3 H 1 1.511 0.03 . 2 . . . A 94 LEU HB3 . 17673 1 120 . 1 1 14 14 LEU HG H 1 1.372 0.03 . 1 . . . A 94 LEU HG . 17673 1 121 . 1 1 14 14 LEU HD11 H 1 0.678 0.03 . 2 . . . A 94 LEU HD11 . 17673 1 122 . 1 1 14 14 LEU HD12 H 1 0.678 0.03 . 2 . . . A 94 LEU HD12 . 17673 1 123 . 1 1 14 14 LEU HD13 H 1 0.678 0.03 . 2 . . . A 94 LEU HD13 . 17673 1 124 . 1 1 14 14 LEU HD21 H 1 0.654 0.03 . 2 . . . A 94 LEU HD21 . 17673 1 125 . 1 1 14 14 LEU HD22 H 1 0.654 0.03 . 2 . . . A 94 LEU HD22 . 17673 1 126 . 1 1 14 14 LEU HD23 H 1 0.654 0.03 . 2 . . . A 94 LEU HD23 . 17673 1 127 . 1 1 14 14 LEU C C 13 175.290 0.30 . 1 . . . A 94 LEU C . 17673 1 128 . 1 1 14 14 LEU CA C 13 53.858 0.30 . 1 . . . A 94 LEU CA . 17673 1 129 . 1 1 14 14 LEU CB C 13 44.658 0.30 . 1 . . . A 94 LEU CB . 17673 1 130 . 1 1 14 14 LEU CG C 13 26.900 0.30 . 1 . . . A 94 LEU CG . 17673 1 131 . 1 1 14 14 LEU CD1 C 13 25.490 0.30 . 1 . . . A 94 LEU CD1 . 17673 1 132 . 1 1 14 14 LEU CD2 C 13 22.912 0.30 . 1 . . . A 94 LEU CD2 . 17673 1 133 . 1 1 14 14 LEU N N 15 118.610 0.30 . 1 . . . A 94 LEU N . 17673 1 134 . 1 1 15 15 ALA H H 1 9.335 0.03 . 1 . . . A 95 ALA H . 17673 1 135 . 1 1 15 15 ALA HA H 1 5.865 0.03 . 1 . . . A 95 ALA HA . 17673 1 136 . 1 1 15 15 ALA HB1 H 1 1.177 0.03 . 1 . . . A 95 ALA HB1 . 17673 1 137 . 1 1 15 15 ALA HB2 H 1 1.177 0.03 . 1 . . . A 95 ALA HB2 . 17673 1 138 . 1 1 15 15 ALA HB3 H 1 1.177 0.03 . 1 . . . A 95 ALA HB3 . 17673 1 139 . 1 1 15 15 ALA C C 13 176.220 0.30 . 1 . . . A 95 ALA C . 17673 1 140 . 1 1 15 15 ALA CA C 13 49.950 0.30 . 1 . . . A 95 ALA CA . 17673 1 141 . 1 1 15 15 ALA CB C 13 23.140 0.30 . 1 . . . A 95 ALA CB . 17673 1 142 . 1 1 15 15 ALA N N 15 122.870 0.30 . 1 . . . A 95 ALA N . 17673 1 143 . 1 1 16 16 SER H H 1 8.513 0.03 . 1 . . . A 96 SER H . 17673 1 144 . 1 1 16 16 SER HA H 1 4.520 0.03 . 1 . . . A 96 SER HA . 17673 1 145 . 1 1 16 16 SER HB2 H 1 2.714 0.03 . 2 . . . A 96 SER HB2 . 17673 1 146 . 1 1 16 16 SER HB3 H 1 2.869 0.03 . 2 . . . A 96 SER HB3 . 17673 1 147 . 1 1 16 16 SER C C 13 174.250 0.30 . 1 . . . A 96 SER C . 17673 1 148 . 1 1 16 16 SER CA C 13 57.245 0.30 . 1 . . . A 96 SER CA . 17673 1 149 . 1 1 16 16 SER CB C 13 63.974 0.30 . 1 . . . A 96 SER CB . 17673 1 150 . 1 1 16 16 SER N N 15 117.200 0.30 . 1 . . . A 96 SER N . 17673 1 151 . 1 1 17 17 TRP H H 1 8.621 0.03 . 1 . . . A 97 TRP H . 17673 1 152 . 1 1 17 17 TRP HA H 1 5.237 0.03 . 1 . . . A 97 TRP HA . 17673 1 153 . 1 1 17 17 TRP HB2 H 1 3.011 0.03 . 2 . . . A 97 TRP HB2 . 17673 1 154 . 1 1 17 17 TRP HB3 H 1 3.691 0.03 . 2 . . . A 97 TRP HB3 . 17673 1 155 . 1 1 17 17 TRP HD1 H 1 7.194 0.03 . 1 . . . A 97 TRP HD1 . 17673 1 156 . 1 1 17 17 TRP HE1 H 1 10.403 0.03 . 1 . . . A 97 TRP HE1 . 17673 1 157 . 1 1 17 17 TRP HE3 H 1 7.536 0.03 . 1 . . . A 97 TRP HE3 . 17673 1 158 . 1 1 17 17 TRP HZ2 H 1 7.401 0.03 . 1 . . . A 97 TRP HZ2 . 17673 1 159 . 1 1 17 17 TRP HZ3 H 1 6.999 0.03 . 1 . . . A 97 TRP HZ3 . 17673 1 160 . 1 1 17 17 TRP HH2 H 1 7.168 0.03 . 1 . . . A 97 TRP HH2 . 17673 1 161 . 1 1 17 17 TRP C C 13 176.630 0.30 . 1 . . . A 97 TRP C . 17673 1 162 . 1 1 17 17 TRP CA C 13 54.890 0.30 . 1 . . . A 97 TRP CA . 17673 1 163 . 1 1 17 17 TRP CB C 13 31.020 0.30 . 1 . . . A 97 TRP CB . 17673 1 164 . 1 1 17 17 TRP CD1 C 13 126.960 0.30 . 1 . . . A 97 TRP CD1 . 17673 1 165 . 1 1 17 17 TRP CZ2 C 13 115.815 0.30 . 1 . . . A 97 TRP CZ2 . 17673 1 166 . 1 1 17 17 TRP CZ3 C 13 122.943 0.30 . 1 . . . A 97 TRP CZ3 . 17673 1 167 . 1 1 17 17 TRP CH2 C 13 125.535 0.30 . 1 . . . A 97 TRP CH2 . 17673 1 168 . 1 1 17 17 TRP N N 15 125.340 0.30 . 1 . . . A 97 TRP N . 17673 1 169 . 1 1 17 17 TRP NE1 N 15 132.304 0.30 . 1 . . . A 97 TRP NE1 . 17673 1 170 . 1 1 18 18 SER H H 1 6.530 0.03 . 1 . . . A 98 SER H . 17673 1 171 . 1 1 18 18 SER HA H 1 3.912 0.03 . 1 . . . A 98 SER HA . 17673 1 172 . 1 1 18 18 SER HB2 H 1 3.175 0.03 . 2 . . . A 98 SER HB2 . 17673 1 173 . 1 1 18 18 SER HB3 H 1 3.255 0.03 . 2 . . . A 98 SER HB3 . 17673 1 174 . 1 1 18 18 SER C C 13 173.650 0.30 . 1 . . . A 98 SER C . 17673 1 175 . 1 1 18 18 SER CA C 13 59.400 0.30 . 1 . . . A 98 SER CA . 17673 1 176 . 1 1 18 18 SER CB C 13 62.330 0.30 . 1 . . . A 98 SER CB . 17673 1 177 . 1 1 18 18 SER N N 15 118.120 0.30 . 1 . . . A 98 SER N . 17673 1 178 . 1 1 19 19 ASP H H 1 7.834 0.03 . 1 . . . A 99 ASP H . 17673 1 179 . 1 1 19 19 ASP HA H 1 4.440 0.03 . 1 . . . A 99 ASP HA . 17673 1 180 . 1 1 19 19 ASP HB2 H 1 2.642 0.03 . 2 . . . A 99 ASP HB2 . 17673 1 181 . 1 1 19 19 ASP HB3 H 1 3.051 0.03 . 2 . . . A 99 ASP HB3 . 17673 1 182 . 1 1 19 19 ASP C C 13 176.200 0.30 . 1 . . . A 99 ASP C . 17673 1 183 . 1 1 19 19 ASP CA C 13 53.420 0.30 . 1 . . . A 99 ASP CA . 17673 1 184 . 1 1 19 19 ASP CB C 13 40.190 0.30 . 1 . . . A 99 ASP CB . 17673 1 185 . 1 1 19 19 ASP N N 15 119.980 0.30 . 1 . . . A 99 ASP N . 17673 1 186 . 1 1 20 20 SER H H 1 8.127 0.03 . 1 . . . A 100 SER H . 17673 1 187 . 1 1 20 20 SER HA H 1 3.923 0.03 . 1 . . . A 100 SER HA . 17673 1 188 . 1 1 20 20 SER HB2 H 1 4.177 0.03 . 2 . . . A 100 SER HB2 . 17673 1 189 . 1 1 20 20 SER HB3 H 1 4.033 0.03 . 2 . . . A 100 SER HB3 . 17673 1 190 . 1 1 20 20 SER C C 13 173.090 0.30 . 1 . . . A 100 SER C . 17673 1 191 . 1 1 20 20 SER CA C 13 60.410 0.30 . 1 . . . A 100 SER CA . 17673 1 192 . 1 1 20 20 SER CB C 13 62.350 0.30 . 1 . . . A 100 SER CB . 17673 1 193 . 1 1 20 20 SER N N 15 110.670 0.30 . 1 . . . A 100 SER N . 17673 1 194 . 1 1 21 21 ARG H H 1 8.097 0.03 . 1 . . . A 101 ARG H . 17673 1 195 . 1 1 21 21 ARG HA H 1 4.471 0.03 . 1 . . . A 101 ARG HA . 17673 1 196 . 1 1 21 21 ARG HB2 H 1 1.951 0.03 . 2 . . . A 101 ARG HB2 . 17673 1 197 . 1 1 21 21 ARG HB3 H 1 1.504 0.03 . 2 . . . A 101 ARG HB3 . 17673 1 198 . 1 1 21 21 ARG HG2 H 1 1.530 0.03 . 2 . . . A 101 ARG HG2 . 17673 1 199 . 1 1 21 21 ARG HG3 H 1 1.414 0.03 . 2 . . . A 101 ARG HG3 . 17673 1 200 . 1 1 21 21 ARG HD2 H 1 3.179 0.03 . 2 . . . A 101 ARG HD2 . 17673 1 201 . 1 1 21 21 ARG HD3 H 1 3.179 0.03 . 2 . . . A 101 ARG HD3 . 17673 1 202 . 1 1 21 21 ARG C C 13 174.190 0.30 . 1 . . . A 101 ARG C . 17673 1 203 . 1 1 21 21 ARG CA C 13 55.010 0.30 . 1 . . . A 101 ARG CA . 17673 1 204 . 1 1 21 21 ARG CB C 13 31.000 0.30 . 1 . . . A 101 ARG CB . 17673 1 205 . 1 1 21 21 ARG CG C 13 27.800 0.30 . 1 . . . A 101 ARG CG . 17673 1 206 . 1 1 21 21 ARG CD C 13 43.450 0.30 . 1 . . . A 101 ARG CD . 17673 1 207 . 1 1 21 21 ARG N N 15 120.850 0.30 . 1 . . . A 101 ARG N . 17673 1 208 . 1 1 22 22 PHE H H 1 8.400 0.03 . 1 . . . A 102 PHE H . 17673 1 209 . 1 1 22 22 PHE HA H 1 4.833 0.03 . 1 . . . A 102 PHE HA . 17673 1 210 . 1 1 22 22 PHE HB2 H 1 2.897 0.03 . 2 . . . A 102 PHE HB2 . 17673 1 211 . 1 1 22 22 PHE HB3 H 1 2.586 0.03 . 2 . . . A 102 PHE HB3 . 17673 1 212 . 1 1 22 22 PHE HD1 H 1 7.005 0.03 . 3 . . . A 102 PHE HD1 . 17673 1 213 . 1 1 22 22 PHE HE1 H 1 7.234 0.03 . 3 . . . A 102 PHE HE1 . 17673 1 214 . 1 1 22 22 PHE HZ H 1 7.394 0.03 . 1 . . . A 102 PHE HZ . 17673 1 215 . 1 1 22 22 PHE C C 13 175.840 0.30 . 1 . . . A 102 PHE C . 17673 1 216 . 1 1 22 22 PHE CA C 13 57.740 0.30 . 1 . . . A 102 PHE CA . 17673 1 217 . 1 1 22 22 PHE CB C 13 41.020 0.30 . 1 . . . A 102 PHE CB . 17673 1 218 . 1 1 22 22 PHE CD1 C 13 131.692 0.30 . 3 . . . A 102 PHE CD1 . 17673 1 219 . 1 1 22 22 PHE CZ C 13 129.790 0.30 . 1 . . . A 102 PHE CZ . 17673 1 220 . 1 1 22 22 PHE N N 15 118.370 0.30 . 1 . . . A 102 PHE N . 17673 1 221 . 1 1 23 23 TYR H H 1 9.263 0.03 . 1 . . . A 103 TYR H . 17673 1 222 . 1 1 23 23 TYR HA H 1 5.140 0.03 . 1 . . . A 103 TYR HA . 17673 1 223 . 1 1 23 23 TYR HB2 H 1 3.320 0.03 . 2 . . . A 103 TYR HB2 . 17673 1 224 . 1 1 23 23 TYR HB3 H 1 3.320 0.03 . 2 . . . A 103 TYR HB3 . 17673 1 225 . 1 1 23 23 TYR HD1 H 1 7.128 0.03 . 3 . . . A 103 TYR HD1 . 17673 1 226 . 1 1 23 23 TYR HD2 H 1 7.128 0.03 . 3 . . . A 103 TYR HD2 . 17673 1 227 . 1 1 23 23 TYR HE2 H 1 7.538 0.03 . 3 . . . A 103 TYR HE2 . 17673 1 228 . 1 1 23 23 TYR CA C 13 55.710 0.30 . 1 . . . A 103 TYR CA . 17673 1 229 . 1 1 23 23 TYR CB C 13 41.660 0.30 . 1 . . . A 103 TYR CB . 17673 1 230 . 1 1 23 23 TYR CD1 C 13 133.178 0.30 . 3 . . . A 103 TYR CD1 . 17673 1 231 . 1 1 23 23 TYR CD2 C 13 131.914 0.30 . 3 . . . A 103 TYR CD2 . 17673 1 232 . 1 1 23 23 TYR CE2 C 13 120.875 0.30 . 3 . . . A 103 TYR CE2 . 17673 1 233 . 1 1 23 23 TYR N N 15 119.450 0.30 . 1 . . . A 103 TYR N . 17673 1 234 . 1 1 24 24 PRO HA H 1 5.028 0.03 . 1 . . . A 104 PRO HA . 17673 1 235 . 1 1 24 24 PRO HB2 H 1 2.063 0.03 . 2 . . . A 104 PRO HB2 . 17673 1 236 . 1 1 24 24 PRO HB3 H 1 2.403 0.03 . 2 . . . A 104 PRO HB3 . 17673 1 237 . 1 1 24 24 PRO HG2 H 1 2.136 0.03 . 2 . . . A 104 PRO HG2 . 17673 1 238 . 1 1 24 24 PRO HG3 H 1 1.954 0.03 . 2 . . . A 104 PRO HG3 . 17673 1 239 . 1 1 24 24 PRO HD2 H 1 3.743 0.03 . 2 . . . A 104 PRO HD2 . 17673 1 240 . 1 1 24 24 PRO HD3 H 1 3.975 0.03 . 2 . . . A 104 PRO HD3 . 17673 1 241 . 1 1 24 24 PRO C C 13 175.500 0.30 . 1 . . . A 104 PRO C . 17673 1 242 . 1 1 24 24 PRO CA C 13 63.860 0.30 . 1 . . . A 104 PRO CA . 17673 1 243 . 1 1 24 24 PRO CB C 13 32.600 0.30 . 1 . . . A 104 PRO CB . 17673 1 244 . 1 1 24 24 PRO CG C 13 28.170 0.30 . 1 . . . A 104 PRO CG . 17673 1 245 . 1 1 24 24 PRO CD C 13 51.049 0.30 . 1 . . . A 104 PRO CD . 17673 1 246 . 1 1 25 25 ALA H H 1 9.121 0.03 . 1 . . . A 105 ALA H . 17673 1 247 . 1 1 25 25 ALA HA H 1 4.798 0.03 . 1 . . . A 105 ALA HA . 17673 1 248 . 1 1 25 25 ALA HB1 H 1 0.673 0.03 . 1 . . . A 105 ALA HB1 . 17673 1 249 . 1 1 25 25 ALA HB2 H 1 0.673 0.03 . 1 . . . A 105 ALA HB2 . 17673 1 250 . 1 1 25 25 ALA HB3 H 1 0.673 0.03 . 1 . . . A 105 ALA HB3 . 17673 1 251 . 1 1 25 25 ALA C C 13 174.470 0.30 . 1 . . . A 105 ALA C . 17673 1 252 . 1 1 25 25 ALA CA C 13 50.880 0.30 . 1 . . . A 105 ALA CA . 17673 1 253 . 1 1 25 25 ALA CB C 13 23.400 0.30 . 1 . . . A 105 ALA CB . 17673 1 254 . 1 1 25 25 ALA N N 15 124.530 0.30 . 1 . . . A 105 ALA N . 17673 1 255 . 1 1 26 26 LYS H H 1 8.064 0.03 . 1 . . . A 106 LYS H . 17673 1 256 . 1 1 26 26 LYS HA H 1 5.217 0.03 . 1 . . . A 106 LYS HA . 17673 1 257 . 1 1 26 26 LYS HB2 H 1 1.538 0.03 . 2 . . . A 106 LYS HB2 . 17673 1 258 . 1 1 26 26 LYS HB3 H 1 1.538 0.03 . 2 . . . A 106 LYS HB3 . 17673 1 259 . 1 1 26 26 LYS HG2 H 1 1.221 0.03 . 2 . . . A 106 LYS HG2 . 17673 1 260 . 1 1 26 26 LYS HG3 H 1 1.221 0.03 . 2 . . . A 106 LYS HG3 . 17673 1 261 . 1 1 26 26 LYS HD2 H 1 1.595 0.03 . 2 . . . A 106 LYS HD2 . 17673 1 262 . 1 1 26 26 LYS HD3 H 1 1.595 0.03 . 2 . . . A 106 LYS HD3 . 17673 1 263 . 1 1 26 26 LYS HE2 H 1 2.889 0.03 . 2 . . . A 106 LYS HE2 . 17673 1 264 . 1 1 26 26 LYS HE3 H 1 2.889 0.03 . 2 . . . A 106 LYS HE3 . 17673 1 265 . 1 1 26 26 LYS C C 13 176.420 0.30 . 1 . . . A 106 LYS C . 17673 1 266 . 1 1 26 26 LYS CA C 13 54.000 0.30 . 1 . . . A 106 LYS CA . 17673 1 267 . 1 1 26 26 LYS CB C 13 36.080 0.30 . 1 . . . A 106 LYS CB . 17673 1 268 . 1 1 26 26 LYS CG C 13 24.671 0.30 . 1 . . . A 106 LYS CG . 17673 1 269 . 1 1 26 26 LYS CD C 13 29.216 0.30 . 1 . . . A 106 LYS CD . 17673 1 270 . 1 1 26 26 LYS CE C 13 41.809 0.30 . 1 . . . A 106 LYS CE . 17673 1 271 . 1 1 26 26 LYS N N 15 117.940 0.30 . 1 . . . A 106 LYS N . 17673 1 272 . 1 1 27 27 VAL H H 1 8.264 0.03 . 1 . . . A 107 VAL H . 17673 1 273 . 1 1 27 27 VAL HA H 1 3.956 0.03 . 1 . . . A 107 VAL HA . 17673 1 274 . 1 1 27 27 VAL HB H 1 2.438 0.03 . 1 . . . A 107 VAL HB . 17673 1 275 . 1 1 27 27 VAL HG11 H 1 0.642 0.03 . 2 . . . A 107 VAL HG11 . 17673 1 276 . 1 1 27 27 VAL HG12 H 1 0.642 0.03 . 2 . . . A 107 VAL HG12 . 17673 1 277 . 1 1 27 27 VAL HG13 H 1 0.642 0.03 . 2 . . . A 107 VAL HG13 . 17673 1 278 . 1 1 27 27 VAL HG21 H 1 0.876 0.03 . 2 . . . A 107 VAL HG21 . 17673 1 279 . 1 1 27 27 VAL HG22 H 1 0.876 0.03 . 2 . . . A 107 VAL HG22 . 17673 1 280 . 1 1 27 27 VAL HG23 H 1 0.876 0.03 . 2 . . . A 107 VAL HG23 . 17673 1 281 . 1 1 27 27 VAL C C 13 177.040 0.30 . 1 . . . A 107 VAL C . 17673 1 282 . 1 1 27 27 VAL CA C 13 64.060 0.30 . 1 . . . A 107 VAL CA . 17673 1 283 . 1 1 27 27 VAL CB C 13 31.930 0.30 . 1 . . . A 107 VAL CB . 17673 1 284 . 1 1 27 27 VAL CG1 C 13 22.241 0.30 . 1 . . . A 107 VAL CG1 . 17673 1 285 . 1 1 27 27 VAL CG2 C 13 22.847 0.30 . 1 . . . A 107 VAL CG2 . 17673 1 286 . 1 1 27 27 VAL N N 15 123.950 0.30 . 1 . . . A 107 VAL N . 17673 1 287 . 1 1 28 28 THR H H 1 9.633 0.03 . 1 . . . A 108 THR H . 17673 1 288 . 1 1 28 28 THR HA H 1 4.680 0.03 . 1 . . . A 108 THR HA . 17673 1 289 . 1 1 28 28 THR HB H 1 4.253 0.03 . 1 . . . A 108 THR HB . 17673 1 290 . 1 1 28 28 THR HG21 H 1 1.085 0.03 . 1 . . . A 108 THR HG21 . 17673 1 291 . 1 1 28 28 THR HG22 H 1 1.085 0.03 . 1 . . . A 108 THR HG22 . 17673 1 292 . 1 1 28 28 THR HG23 H 1 1.085 0.03 . 1 . . . A 108 THR HG23 . 17673 1 293 . 1 1 28 28 THR C C 13 175.270 0.30 . 1 . . . A 108 THR C . 17673 1 294 . 1 1 28 28 THR CA C 13 62.180 0.30 . 1 . . . A 108 THR CA . 17673 1 295 . 1 1 28 28 THR CB C 13 68.940 0.30 . 1 . . . A 108 THR CB . 17673 1 296 . 1 1 28 28 THR CG2 C 13 22.458 0.30 . 1 . . . A 108 THR CG2 . 17673 1 297 . 1 1 28 28 THR N N 15 121.600 0.30 . 1 . . . A 108 THR N . 17673 1 298 . 1 1 29 29 ALA H H 1 8.058 0.03 . 1 . . . A 109 ALA H . 17673 1 299 . 1 1 29 29 ALA HA H 1 4.439 0.03 . 1 . . . A 109 ALA HA . 17673 1 300 . 1 1 29 29 ALA HB1 H 1 1.411 0.03 . 1 . . . A 109 ALA HB1 . 17673 1 301 . 1 1 29 29 ALA HB2 H 1 1.411 0.03 . 1 . . . A 109 ALA HB2 . 17673 1 302 . 1 1 29 29 ALA HB3 H 1 1.411 0.03 . 1 . . . A 109 ALA HB3 . 17673 1 303 . 1 1 29 29 ALA C C 13 174.910 0.30 . 1 . . . A 109 ALA C . 17673 1 304 . 1 1 29 29 ALA CA C 13 53.410 0.30 . 1 . . . A 109 ALA CA . 17673 1 305 . 1 1 29 29 ALA CB C 13 22.215 0.30 . 1 . . . A 109 ALA CB . 17673 1 306 . 1 1 29 29 ALA N N 15 123.390 0.30 . 1 . . . A 109 ALA N . 17673 1 307 . 1 1 30 30 VAL H H 1 8.541 0.03 . 1 . . . A 110 VAL H . 17673 1 308 . 1 1 30 30 VAL HA H 1 4.100 0.03 . 1 . . . A 110 VAL HA . 17673 1 309 . 1 1 30 30 VAL HB H 1 2.066 0.03 . 1 . . . A 110 VAL HB . 17673 1 310 . 1 1 30 30 VAL HG11 H 1 0.929 0.03 . 2 . . . A 110 VAL HG11 . 17673 1 311 . 1 1 30 30 VAL HG12 H 1 0.929 0.03 . 2 . . . A 110 VAL HG12 . 17673 1 312 . 1 1 30 30 VAL HG13 H 1 0.929 0.03 . 2 . . . A 110 VAL HG13 . 17673 1 313 . 1 1 30 30 VAL HG21 H 1 0.929 0.03 . 2 . . . A 110 VAL HG21 . 17673 1 314 . 1 1 30 30 VAL HG22 H 1 0.929 0.03 . 2 . . . A 110 VAL HG22 . 17673 1 315 . 1 1 30 30 VAL HG23 H 1 0.929 0.03 . 2 . . . A 110 VAL HG23 . 17673 1 316 . 1 1 30 30 VAL C C 13 175.510 0.30 . 1 . . . A 110 VAL C . 17673 1 317 . 1 1 30 30 VAL CA C 13 62.680 0.30 . 1 . . . A 110 VAL CA . 17673 1 318 . 1 1 30 30 VAL CB C 13 32.730 0.30 . 1 . . . A 110 VAL CB . 17673 1 319 . 1 1 30 30 VAL CG1 C 13 21.189 0.30 . 1 . . . A 110 VAL CG1 . 17673 1 320 . 1 1 30 30 VAL CG2 C 13 20.764 0.30 . 1 . . . A 110 VAL CG2 . 17673 1 321 . 1 1 30 30 VAL N N 15 123.310 0.30 . 1 . . . A 110 VAL N . 17673 1 322 . 1 1 31 31 ASN H H 1 7.957 0.03 . 1 . . . A 111 ASN H . 17673 1 323 . 1 1 31 31 ASN HA H 1 4.937 0.03 . 1 . . . A 111 ASN HA . 17673 1 324 . 1 1 31 31 ASN HB2 H 1 2.876 0.03 . 2 . . . A 111 ASN HB2 . 17673 1 325 . 1 1 31 31 ASN HB3 H 1 2.691 0.03 . 2 . . . A 111 ASN HB3 . 17673 1 326 . 1 1 31 31 ASN HD21 H 1 7.625 0.03 . 2 . . . A 111 ASN HD21 . 17673 1 327 . 1 1 31 31 ASN HD22 H 1 6.934 0.03 . 2 . . . A 111 ASN HD22 . 17673 1 328 . 1 1 31 31 ASN CA C 13 53.095 0.30 . 1 . . . A 111 ASN CA . 17673 1 329 . 1 1 31 31 ASN CB C 13 39.550 0.30 . 1 . . . A 111 ASN CB . 17673 1 330 . 1 1 31 31 ASN N N 15 123.230 0.30 . 1 . . . A 111 ASN N . 17673 1 331 . 1 1 31 31 ASN ND2 N 15 112.640 0.30 . 1 . . . A 111 ASN ND2 . 17673 1 332 . 1 1 32 32 LYS HA H 1 4.184 0.03 . 1 . . . A 112 LYS HA . 17673 1 333 . 1 1 32 32 LYS HB2 H 1 1.835 0.03 . 2 . . . A 112 LYS HB2 . 17673 1 334 . 1 1 32 32 LYS HB3 H 1 1.926 0.03 . 2 . . . A 112 LYS HB3 . 17673 1 335 . 1 1 32 32 LYS HG2 H 1 1.522 0.03 . 2 . . . A 112 LYS HG2 . 17673 1 336 . 1 1 32 32 LYS HG3 H 1 1.522 0.03 . 2 . . . A 112 LYS HG3 . 17673 1 337 . 1 1 32 32 LYS HD2 H 1 1.693 0.03 . 2 . . . A 112 LYS HD2 . 17673 1 338 . 1 1 32 32 LYS HD3 H 1 1.693 0.03 . 2 . . . A 112 LYS HD3 . 17673 1 339 . 1 1 32 32 LYS HE2 H 1 3.002 0.03 . 2 . . . A 112 LYS HE2 . 17673 1 340 . 1 1 32 32 LYS HE3 H 1 3.002 0.03 . 2 . . . A 112 LYS HE3 . 17673 1 341 . 1 1 32 32 LYS C C 13 176.120 0.30 . 1 . . . A 112 LYS C . 17673 1 342 . 1 1 32 32 LYS CA C 13 58.310 0.30 . 1 . . . A 112 LYS CA . 17673 1 343 . 1 1 32 32 LYS CB C 13 31.910 0.30 . 1 . . . A 112 LYS CB . 17673 1 344 . 1 1 32 32 LYS CG C 13 25.000 0.30 . 1 . . . A 112 LYS CG . 17673 1 345 . 1 1 32 32 LYS CD C 13 29.165 0.30 . 1 . . . A 112 LYS CD . 17673 1 346 . 1 1 32 32 LYS CE C 13 42.086 0.30 . 1 . . . A 112 LYS CE . 17673 1 347 . 1 1 33 33 ASP H H 1 7.867 0.03 . 1 . . . A 113 ASP H . 17673 1 348 . 1 1 33 33 ASP HA H 1 4.532 0.03 . 1 . . . A 113 ASP HA . 17673 1 349 . 1 1 33 33 ASP HB2 H 1 2.522 0.03 . 2 . . . A 113 ASP HB2 . 17673 1 350 . 1 1 33 33 ASP HB3 H 1 3.067 0.03 . 2 . . . A 113 ASP HB3 . 17673 1 351 . 1 1 33 33 ASP C C 13 177.040 0.30 . 1 . . . A 113 ASP C . 17673 1 352 . 1 1 33 33 ASP CA C 13 52.887 0.30 . 1 . . . A 113 ASP CA . 17673 1 353 . 1 1 33 33 ASP CB C 13 39.990 0.30 . 1 . . . A 113 ASP CB . 17673 1 354 . 1 1 33 33 ASP N N 15 117.410 0.30 . 1 . . . A 113 ASP N . 17673 1 355 . 1 1 34 34 GLY H H 1 7.944 0.03 . 1 . . . A 114 GLY H . 17673 1 356 . 1 1 34 34 GLY HA2 H 1 4.196 0.03 . 2 . . . A 114 GLY HA2 . 17673 1 357 . 1 1 34 34 GLY HA3 H 1 3.651 0.03 . 2 . . . A 114 GLY HA3 . 17673 1 358 . 1 1 34 34 GLY C C 13 174.640 0.30 . 1 . . . A 114 GLY C . 17673 1 359 . 1 1 34 34 GLY CA C 13 45.790 0.30 . 1 . . . A 114 GLY CA . 17673 1 360 . 1 1 34 34 GLY N N 15 107.300 0.30 . 1 . . . A 114 GLY N . 17673 1 361 . 1 1 35 35 THR H H 1 7.381 0.03 . 1 . . . A 115 THR H . 17673 1 362 . 1 1 35 35 THR HA H 1 4.824 0.03 . 1 . . . A 115 THR HA . 17673 1 363 . 1 1 35 35 THR HB H 1 4.218 0.03 . 1 . . . A 115 THR HB . 17673 1 364 . 1 1 35 35 THR HG21 H 1 1.041 0.03 . 1 . . . A 115 THR HG21 . 17673 1 365 . 1 1 35 35 THR HG22 H 1 1.041 0.03 . 1 . . . A 115 THR HG22 . 17673 1 366 . 1 1 35 35 THR HG23 H 1 1.041 0.03 . 1 . . . A 115 THR HG23 . 17673 1 367 . 1 1 35 35 THR C C 13 173.650 0.30 . 1 . . . A 115 THR C . 17673 1 368 . 1 1 35 35 THR CA C 13 60.640 0.30 . 1 . . . A 115 THR CA . 17673 1 369 . 1 1 35 35 THR CB C 13 72.740 0.30 . 1 . . . A 115 THR CB . 17673 1 370 . 1 1 35 35 THR CG2 C 13 21.137 0.30 . 1 . . . A 115 THR CG2 . 17673 1 371 . 1 1 35 35 THR N N 15 108.940 0.30 . 1 . . . A 115 THR N . 17673 1 372 . 1 1 36 36 TYR H H 1 9.058 0.03 . 1 . . . A 116 TYR H . 17673 1 373 . 1 1 36 36 TYR HA H 1 5.175 0.03 . 1 . . . A 116 TYR HA . 17673 1 374 . 1 1 36 36 TYR HB2 H 1 2.490 0.03 . 2 . . . A 116 TYR HB2 . 17673 1 375 . 1 1 36 36 TYR HB3 H 1 2.971 0.03 . 2 . . . A 116 TYR HB3 . 17673 1 376 . 1 1 36 36 TYR HD1 H 1 7.100 0.03 . 3 . . . A 116 TYR HD1 . 17673 1 377 . 1 1 36 36 TYR HD2 H 1 7.100 0.03 . 3 . . . A 116 TYR HD2 . 17673 1 378 . 1 1 36 36 TYR HE2 H 1 7.225 0.03 . 3 . . . A 116 TYR HE2 . 17673 1 379 . 1 1 36 36 TYR C C 13 175.890 0.30 . 1 . . . A 116 TYR C . 17673 1 380 . 1 1 36 36 TYR CA C 13 57.010 0.30 . 1 . . . A 116 TYR CA . 17673 1 381 . 1 1 36 36 TYR CB C 13 42.170 0.30 . 1 . . . A 116 TYR CB . 17673 1 382 . 1 1 36 36 TYR CD2 C 13 133.183 0.30 . 3 . . . A 116 TYR CD2 . 17673 1 383 . 1 1 36 36 TYR CE2 C 13 118.895 0.30 . 3 . . . A 116 TYR CE2 . 17673 1 384 . 1 1 36 36 TYR N N 15 116.170 0.30 . 1 . . . A 116 TYR N . 17673 1 385 . 1 1 37 37 THR H H 1 9.035 0.03 . 1 . . . A 117 THR H . 17673 1 386 . 1 1 37 37 THR HA H 1 5.116 0.03 . 1 . . . A 117 THR HA . 17673 1 387 . 1 1 37 37 THR HB H 1 3.923 0.03 . 1 . . . A 117 THR HB . 17673 1 388 . 1 1 37 37 THR HG21 H 1 1.097 0.03 . 1 . . . A 117 THR HG21 . 17673 1 389 . 1 1 37 37 THR HG22 H 1 1.097 0.03 . 1 . . . A 117 THR HG22 . 17673 1 390 . 1 1 37 37 THR HG23 H 1 1.097 0.03 . 1 . . . A 117 THR HG23 . 17673 1 391 . 1 1 37 37 THR C C 13 173.990 0.30 . 1 . . . A 117 THR C . 17673 1 392 . 1 1 37 37 THR CA C 13 63.060 0.30 . 1 . . . A 117 THR CA . 17673 1 393 . 1 1 37 37 THR CB C 13 69.255 0.30 . 1 . . . A 117 THR CB . 17673 1 394 . 1 1 37 37 THR CG2 C 13 23.106 0.30 . 1 . . . A 117 THR CG2 . 17673 1 395 . 1 1 37 37 THR N N 15 120.780 0.30 . 1 . . . A 117 THR N . 17673 1 396 . 1 1 38 38 VAL H H 1 9.183 0.03 . 1 . . . A 118 VAL H . 17673 1 397 . 1 1 38 38 VAL HA H 1 5.249 0.03 . 1 . . . A 118 VAL HA . 17673 1 398 . 1 1 38 38 VAL HB H 1 1.433 0.03 . 1 . . . A 118 VAL HB . 17673 1 399 . 1 1 38 38 VAL HG11 H 1 0.202 0.03 . 2 . . . A 118 VAL HG11 . 17673 1 400 . 1 1 38 38 VAL HG12 H 1 0.202 0.03 . 2 . . . A 118 VAL HG12 . 17673 1 401 . 1 1 38 38 VAL HG13 H 1 0.202 0.03 . 2 . . . A 118 VAL HG13 . 17673 1 402 . 1 1 38 38 VAL HG21 H 1 0.503 0.03 . 2 . . . A 118 VAL HG21 . 17673 1 403 . 1 1 38 38 VAL HG22 H 1 0.503 0.03 . 2 . . . A 118 VAL HG22 . 17673 1 404 . 1 1 38 38 VAL HG23 H 1 0.503 0.03 . 2 . . . A 118 VAL HG23 . 17673 1 405 . 1 1 38 38 VAL C C 13 172.390 0.30 . 1 . . . A 118 VAL C . 17673 1 406 . 1 1 38 38 VAL CA C 13 57.740 0.30 . 1 . . . A 118 VAL CA . 17673 1 407 . 1 1 38 38 VAL CB C 13 34.930 0.30 . 1 . . . A 118 VAL CB . 17673 1 408 . 1 1 38 38 VAL CG1 C 13 17.760 0.30 . 1 . . . A 118 VAL CG1 . 17673 1 409 . 1 1 38 38 VAL CG2 C 13 20.746 0.30 . 1 . . . A 118 VAL CG2 . 17673 1 410 . 1 1 38 38 VAL N N 15 120.000 0.30 . 1 . . . A 118 VAL N . 17673 1 411 . 1 1 39 39 LYS H H 1 8.802 0.03 . 1 . . . A 119 LYS H . 17673 1 412 . 1 1 39 39 LYS HA H 1 5.062 0.03 . 1 . . . A 119 LYS HA . 17673 1 413 . 1 1 39 39 LYS HB2 H 1 1.496 0.03 . 2 . . . A 119 LYS HB2 . 17673 1 414 . 1 1 39 39 LYS HB3 H 1 1.655 0.03 . 2 . . . A 119 LYS HB3 . 17673 1 415 . 1 1 39 39 LYS HG2 H 1 1.087 0.03 . 2 . . . A 119 LYS HG2 . 17673 1 416 . 1 1 39 39 LYS HG3 H 1 1.424 0.03 . 2 . . . A 119 LYS HG3 . 17673 1 417 . 1 1 39 39 LYS HD2 H 1 1.100 0.03 . 2 . . . A 119 LYS HD2 . 17673 1 418 . 1 1 39 39 LYS HD3 H 1 1.596 0.03 . 2 . . . A 119 LYS HD3 . 17673 1 419 . 1 1 39 39 LYS HE2 H 1 2.907 0.03 . 2 . . . A 119 LYS HE2 . 17673 1 420 . 1 1 39 39 LYS HE3 H 1 2.907 0.03 . 2 . . . A 119 LYS HE3 . 17673 1 421 . 1 1 39 39 LYS C C 13 178.050 0.30 . 1 . . . A 119 LYS C . 17673 1 422 . 1 1 39 39 LYS CA C 13 54.210 0.30 . 1 . . . A 119 LYS CA . 17673 1 423 . 1 1 39 39 LYS CB C 13 34.920 0.30 . 1 . . . A 119 LYS CB . 17673 1 424 . 1 1 39 39 LYS CG C 13 24.220 0.30 . 1 . . . A 119 LYS CG . 17673 1 425 . 1 1 39 39 LYS CD C 13 29.660 0.30 . 1 . . . A 119 LYS CD . 17673 1 426 . 1 1 39 39 LYS CE C 13 41.849 0.30 . 1 . . . A 119 LYS CE . 17673 1 427 . 1 1 39 39 LYS N N 15 121.000 0.30 . 1 . . . A 119 LYS N . 17673 1 428 . 1 1 40 40 PHE H H 1 9.634 0.03 . 1 . . . A 120 PHE H . 17673 1 429 . 1 1 40 40 PHE HA H 1 4.746 0.03 . 1 . . . A 120 PHE HA . 17673 1 430 . 1 1 40 40 PHE HB2 H 1 3.067 0.03 . 2 . . . A 120 PHE HB2 . 17673 1 431 . 1 1 40 40 PHE HB3 H 1 3.166 0.03 . 2 . . . A 120 PHE HB3 . 17673 1 432 . 1 1 40 40 PHE HD1 H 1 7.349 0.03 . 3 . . . A 120 PHE HD1 . 17673 1 433 . 1 1 40 40 PHE HE1 H 1 7.400 0.03 . 3 . . . A 120 PHE HE1 . 17673 1 434 . 1 1 40 40 PHE HZ H 1 7.185 0.03 . 1 . . . A 120 PHE HZ . 17673 1 435 . 1 1 40 40 PHE C C 13 178.110 0.30 . 1 . . . A 120 PHE C . 17673 1 436 . 1 1 40 40 PHE CA C 13 59.610 0.30 . 1 . . . A 120 PHE CA . 17673 1 437 . 1 1 40 40 PHE CB C 13 42.040 0.30 . 1 . . . A 120 PHE CB . 17673 1 438 . 1 1 40 40 PHE CD1 C 13 131.962 0.30 . 3 . . . A 120 PHE CD1 . 17673 1 439 . 1 1 40 40 PHE CE1 C 13 129.814 0.30 . 3 . . . A 120 PHE CE1 . 17673 1 440 . 1 1 40 40 PHE N N 15 127.480 0.30 . 1 . . . A 120 PHE N . 17673 1 441 . 1 1 41 41 TYR H H 1 8.679 0.03 . 1 . . . A 121 TYR H . 17673 1 442 . 1 1 41 41 TYR HA H 1 4.404 0.03 . 1 . . . A 121 TYR HA . 17673 1 443 . 1 1 41 41 TYR HB2 H 1 3.171 0.03 . 2 . . . A 121 TYR HB2 . 17673 1 444 . 1 1 41 41 TYR HB3 H 1 3.171 0.03 . 2 . . . A 121 TYR HB3 . 17673 1 445 . 1 1 41 41 TYR HD1 H 1 7.372 0.03 . 3 . . . A 121 TYR HD1 . 17673 1 446 . 1 1 41 41 TYR HE1 H 1 6.754 0.03 . 3 . . . A 121 TYR HE1 . 17673 1 447 . 1 1 41 41 TYR HE2 H 1 6.754 0.03 . 3 . . . A 121 TYR HE2 . 17673 1 448 . 1 1 41 41 TYR C C 13 174.890 0.30 . 1 . . . A 121 TYR C . 17673 1 449 . 1 1 41 41 TYR CA C 13 59.912 0.30 . 1 . . . A 121 TYR CA . 17673 1 450 . 1 1 41 41 TYR CB C 13 37.440 0.30 . 1 . . . A 121 TYR CB . 17673 1 451 . 1 1 41 41 TYR CD2 C 13 133.117 0.30 . 3 . . . A 121 TYR CD2 . 17673 1 452 . 1 1 41 41 TYR CE2 C 13 118.510 0.30 . 3 . . . A 121 TYR CE2 . 17673 1 453 . 1 1 41 41 TYR N N 15 119.600 0.30 . 1 . . . A 121 TYR N . 17673 1 454 . 1 1 42 42 ASP H H 1 7.128 0.03 . 1 . . . A 122 ASP H . 17673 1 455 . 1 1 42 42 ASP HA H 1 4.313 0.03 . 1 . . . A 122 ASP HA . 17673 1 456 . 1 1 42 42 ASP HB2 H 1 1.916 0.03 . 2 . . . A 122 ASP HB2 . 17673 1 457 . 1 1 42 42 ASP HB3 H 1 2.760 0.03 . 2 . . . A 122 ASP HB3 . 17673 1 458 . 1 1 42 42 ASP C C 13 176.810 0.30 . 1 . . . A 122 ASP C . 17673 1 459 . 1 1 42 42 ASP CA C 13 52.670 0.30 . 1 . . . A 122 ASP CA . 17673 1 460 . 1 1 42 42 ASP CB C 13 38.710 0.30 . 1 . . . A 122 ASP CB . 17673 1 461 . 1 1 42 42 ASP N N 15 117.780 0.30 . 1 . . . A 122 ASP N . 17673 1 462 . 1 1 43 43 GLY H H 1 8.242 0.03 . 1 . . . A 123 GLY H . 17673 1 463 . 1 1 43 43 GLY HA2 H 1 3.403 0.03 . 2 . . . A 123 GLY HA2 . 17673 1 464 . 1 1 43 43 GLY HA3 H 1 4.292 0.03 . 2 . . . A 123 GLY HA3 . 17673 1 465 . 1 1 43 43 GLY C C 13 173.670 0.30 . 1 . . . A 123 GLY C . 17673 1 466 . 1 1 43 43 GLY CA C 13 45.250 0.30 . 1 . . . A 123 GLY CA . 17673 1 467 . 1 1 43 43 GLY N N 15 108.200 0.30 . 1 . . . A 123 GLY N . 17673 1 468 . 1 1 44 44 VAL H H 1 6.877 0.03 . 1 . . . A 124 VAL H . 17673 1 469 . 1 1 44 44 VAL HA H 1 3.843 0.03 . 1 . . . A 124 VAL HA . 17673 1 470 . 1 1 44 44 VAL HB H 1 1.778 0.03 . 1 . . . A 124 VAL HB . 17673 1 471 . 1 1 44 44 VAL HG11 H 1 0.717 0.03 . 2 . . . A 124 VAL HG11 . 17673 1 472 . 1 1 44 44 VAL HG12 H 1 0.717 0.03 . 2 . . . A 124 VAL HG12 . 17673 1 473 . 1 1 44 44 VAL HG13 H 1 0.717 0.03 . 2 . . . A 124 VAL HG13 . 17673 1 474 . 1 1 44 44 VAL HG21 H 1 0.914 0.03 . 2 . . . A 124 VAL HG21 . 17673 1 475 . 1 1 44 44 VAL HG22 H 1 0.914 0.03 . 2 . . . A 124 VAL HG22 . 17673 1 476 . 1 1 44 44 VAL HG23 H 1 0.914 0.03 . 2 . . . A 124 VAL HG23 . 17673 1 477 . 1 1 44 44 VAL C C 13 174.610 0.30 . 1 . . . A 124 VAL C . 17673 1 478 . 1 1 44 44 VAL CA C 13 63.970 0.30 . 1 . . . A 124 VAL CA . 17673 1 479 . 1 1 44 44 VAL CB C 13 32.240 0.30 . 1 . . . A 124 VAL CB . 17673 1 480 . 1 1 44 44 VAL CG1 C 13 22.626 0.30 . 1 . . . A 124 VAL CG1 . 17673 1 481 . 1 1 44 44 VAL CG2 C 13 21.253 0.30 . 1 . . . A 124 VAL CG2 . 17673 1 482 . 1 1 44 44 VAL N N 15 121.320 0.30 . 1 . . . A 124 VAL N . 17673 1 483 . 1 1 45 45 VAL H H 1 8.529 0.03 . 1 . . . A 125 VAL H . 17673 1 484 . 1 1 45 45 VAL HA H 1 5.269 0.03 . 1 . . . A 125 VAL HA . 17673 1 485 . 1 1 45 45 VAL HB H 1 1.914 0.03 . 1 . . . A 125 VAL HB . 17673 1 486 . 1 1 45 45 VAL HG11 H 1 0.982 0.03 . 2 . . . A 125 VAL HG11 . 17673 1 487 . 1 1 45 45 VAL HG12 H 1 0.982 0.03 . 2 . . . A 125 VAL HG12 . 17673 1 488 . 1 1 45 45 VAL HG13 H 1 0.982 0.03 . 2 . . . A 125 VAL HG13 . 17673 1 489 . 1 1 45 45 VAL HG21 H 1 0.830 0.03 . 2 . . . A 125 VAL HG21 . 17673 1 490 . 1 1 45 45 VAL HG22 H 1 0.830 0.03 . 2 . . . A 125 VAL HG22 . 17673 1 491 . 1 1 45 45 VAL HG23 H 1 0.830 0.03 . 2 . . . A 125 VAL HG23 . 17673 1 492 . 1 1 45 45 VAL C C 13 176.640 0.30 . 1 . . . A 125 VAL C . 17673 1 493 . 1 1 45 45 VAL CA C 13 61.080 0.30 . 1 . . . A 125 VAL CA . 17673 1 494 . 1 1 45 45 VAL CB C 13 33.420 0.30 . 1 . . . A 125 VAL CB . 17673 1 495 . 1 1 45 45 VAL CG1 C 13 21.330 0.30 . 1 . . . A 125 VAL CG1 . 17673 1 496 . 1 1 45 45 VAL CG2 C 13 21.170 0.30 . 1 . . . A 125 VAL CG2 . 17673 1 497 . 1 1 45 45 VAL N N 15 129.030 0.30 . 1 . . . A 125 VAL N . 17673 1 498 . 1 1 46 46 GLN H H 1 8.989 0.03 . 1 . . . A 126 GLN H . 17673 1 499 . 1 1 46 46 GLN HA H 1 4.837 0.03 . 1 . . . A 126 GLN HA . 17673 1 500 . 1 1 46 46 GLN HB2 H 1 2.086 0.03 . 2 . . . A 126 GLN HB2 . 17673 1 501 . 1 1 46 46 GLN HB3 H 1 1.972 0.03 . 2 . . . A 126 GLN HB3 . 17673 1 502 . 1 1 46 46 GLN HG2 H 1 2.383 0.03 . 2 . . . A 126 GLN HG2 . 17673 1 503 . 1 1 46 46 GLN HG3 H 1 2.295 0.03 . 2 . . . A 126 GLN HG3 . 17673 1 504 . 1 1 46 46 GLN HE21 H 1 7.041 0.03 . 2 . . . A 126 GLN HE21 . 17673 1 505 . 1 1 46 46 GLN HE22 H 1 6.644 0.03 . 2 . . . A 126 GLN HE22 . 17673 1 506 . 1 1 46 46 GLN C C 13 173.960 0.30 . 1 . . . A 126 GLN C . 17673 1 507 . 1 1 46 46 GLN CA C 13 54.640 0.30 . 1 . . . A 126 GLN CA . 17673 1 508 . 1 1 46 46 GLN CB C 13 34.680 0.30 . 1 . . . A 126 GLN CB . 17673 1 509 . 1 1 46 46 GLN CG C 13 33.760 0.30 . 1 . . . A 126 GLN CG . 17673 1 510 . 1 1 46 46 GLN N N 15 125.880 0.30 . 1 . . . A 126 GLN N . 17673 1 511 . 1 1 46 46 GLN NE2 N 15 109.930 0.30 . 1 . . . A 126 GLN NE2 . 17673 1 512 . 1 1 47 47 THR H H 1 8.912 0.03 . 1 . . . A 127 THR H . 17673 1 513 . 1 1 47 47 THR HA H 1 5.347 0.03 . 1 . . . A 127 THR HA . 17673 1 514 . 1 1 47 47 THR HB H 1 4.034 0.03 . 1 . . . A 127 THR HB . 17673 1 515 . 1 1 47 47 THR HG21 H 1 1.129 0.03 . 1 . . . A 127 THR HG21 . 17673 1 516 . 1 1 47 47 THR HG22 H 1 1.129 0.03 . 1 . . . A 127 THR HG22 . 17673 1 517 . 1 1 47 47 THR HG23 H 1 1.129 0.03 . 1 . . . A 127 THR HG23 . 17673 1 518 . 1 1 47 47 THR C C 13 174.500 0.30 . 1 . . . A 127 THR C . 17673 1 519 . 1 1 47 47 THR CA C 13 62.730 0.30 . 1 . . . A 127 THR CA . 17673 1 520 . 1 1 47 47 THR CB C 13 69.540 0.30 . 1 . . . A 127 THR CB . 17673 1 521 . 1 1 47 47 THR CG2 C 13 22.162 0.30 . 1 . . . A 127 THR CG2 . 17673 1 522 . 1 1 47 47 THR N N 15 121.970 0.30 . 1 . . . A 127 THR N . 17673 1 523 . 1 1 48 48 VAL H H 1 9.513 0.03 . 1 . . . A 128 VAL H . 17673 1 524 . 1 1 48 48 VAL HA H 1 5.002 0.03 . 1 . . . A 128 VAL HA . 17673 1 525 . 1 1 48 48 VAL HB H 1 2.488 0.03 . 1 . . . A 128 VAL HB . 17673 1 526 . 1 1 48 48 VAL HG11 H 1 1.081 0.03 . 2 . . . A 128 VAL HG11 . 17673 1 527 . 1 1 48 48 VAL HG12 H 1 1.081 0.03 . 2 . . . A 128 VAL HG12 . 17673 1 528 . 1 1 48 48 VAL HG13 H 1 1.081 0.03 . 2 . . . A 128 VAL HG13 . 17673 1 529 . 1 1 48 48 VAL HG21 H 1 0.938 0.03 . 2 . . . A 128 VAL HG21 . 17673 1 530 . 1 1 48 48 VAL HG22 H 1 0.938 0.03 . 2 . . . A 128 VAL HG22 . 17673 1 531 . 1 1 48 48 VAL HG23 H 1 0.938 0.03 . 2 . . . A 128 VAL HG23 . 17673 1 532 . 1 1 48 48 VAL C C 13 174.840 0.30 . 1 . . . A 128 VAL C . 17673 1 533 . 1 1 48 48 VAL CA C 13 59.050 0.30 . 1 . . . A 128 VAL CA . 17673 1 534 . 1 1 48 48 VAL CB C 13 35.840 0.30 . 1 . . . A 128 VAL CB . 17673 1 535 . 1 1 48 48 VAL CG1 C 13 22.360 0.30 . 1 . . . A 128 VAL CG1 . 17673 1 536 . 1 1 48 48 VAL CG2 C 13 19.952 0.30 . 1 . . . A 128 VAL CG2 . 17673 1 537 . 1 1 48 48 VAL N N 15 121.810 0.30 . 1 . . . A 128 VAL N . 17673 1 538 . 1 1 49 49 LYS H H 1 9.021 0.03 . 1 . . . A 129 LYS H . 17673 1 539 . 1 1 49 49 LYS HA H 1 4.436 0.03 . 1 . . . A 129 LYS HA . 17673 1 540 . 1 1 49 49 LYS HB2 H 1 1.584 0.03 . 2 . . . A 129 LYS HB2 . 17673 1 541 . 1 1 49 49 LYS HB3 H 1 1.987 0.03 . 2 . . . A 129 LYS HB3 . 17673 1 542 . 1 1 49 49 LYS HG2 H 1 1.505 0.03 . 2 . . . A 129 LYS HG2 . 17673 1 543 . 1 1 49 49 LYS HG3 H 1 1.712 0.03 . 2 . . . A 129 LYS HG3 . 17673 1 544 . 1 1 49 49 LYS HD2 H 1 1.681 0.03 . 2 . . . A 129 LYS HD2 . 17673 1 545 . 1 1 49 49 LYS HD3 H 1 1.681 0.03 . 2 . . . A 129 LYS HD3 . 17673 1 546 . 1 1 49 49 LYS HE2 H 1 3.123 0.03 . 2 . . . A 129 LYS HE2 . 17673 1 547 . 1 1 49 49 LYS HE3 H 1 3.123 0.03 . 2 . . . A 129 LYS HE3 . 17673 1 548 . 1 1 49 49 LYS C C 13 178.110 0.30 . 1 . . . A 129 LYS C . 17673 1 549 . 1 1 49 49 LYS CA C 13 57.110 0.30 . 1 . . . A 129 LYS CA . 17673 1 550 . 1 1 49 49 LYS CB C 13 34.170 0.30 . 1 . . . A 129 LYS CB . 17673 1 551 . 1 1 49 49 LYS CG C 13 25.937 0.30 . 1 . . . A 129 LYS CG . 17673 1 552 . 1 1 49 49 LYS CD C 13 29.440 0.30 . 1 . . . A 129 LYS CD . 17673 1 553 . 1 1 49 49 LYS CE C 13 42.033 0.30 . 1 . . . A 129 LYS CE . 17673 1 554 . 1 1 49 49 LYS N N 15 121.050 0.30 . 1 . . . A 129 LYS N . 17673 1 555 . 1 1 50 50 HIS H H 1 8.679 0.03 . 1 . . . A 130 HIS H . 17673 1 556 . 1 1 50 50 HIS HA H 1 4.476 0.03 . 1 . . . A 130 HIS HA . 17673 1 557 . 1 1 50 50 HIS HB2 H 1 3.516 0.03 . 2 . . . A 130 HIS HB2 . 17673 1 558 . 1 1 50 50 HIS HB3 H 1 3.388 0.03 . 2 . . . A 130 HIS HB3 . 17673 1 559 . 1 1 50 50 HIS HD2 H 1 7.064 0.03 . 1 . . . A 130 HIS HD2 . 17673 1 560 . 1 1 50 50 HIS HE1 H 1 7.950 0.03 . 1 . . . A 130 HIS HE1 . 17673 1 561 . 1 1 50 50 HIS C C 13 176.820 0.30 . 1 . . . A 130 HIS C . 17673 1 562 . 1 1 50 50 HIS CA C 13 60.350 0.30 . 1 . . . A 130 HIS CA . 17673 1 563 . 1 1 50 50 HIS CB C 13 30.460 0.30 . 1 . . . A 130 HIS CB . 17673 1 564 . 1 1 50 50 HIS CD2 C 13 119.596 0.30 . 1 . . . A 130 HIS CD2 . 17673 1 565 . 1 1 50 50 HIS CE1 C 13 138.170 0.30 . 1 . . . A 130 HIS CE1 . 17673 1 566 . 1 1 50 50 HIS N N 15 119.600 0.30 . 1 . . . A 130 HIS N . 17673 1 567 . 1 1 51 51 ILE H H 1 6.790 0.03 . 1 . . . A 131 ILE H . 17673 1 568 . 1 1 51 51 ILE HA H 1 4.260 0.03 . 1 . . . A 131 ILE HA . 17673 1 569 . 1 1 51 51 ILE HB H 1 1.924 0.03 . 1 . . . A 131 ILE HB . 17673 1 570 . 1 1 51 51 ILE HG12 H 1 0.813 0.03 . 1 . . . A 131 ILE HG12 . 17673 1 571 . 1 1 51 51 ILE HG13 H 1 0.654 0.03 . 1 . . . A 131 ILE HG13 . 17673 1 572 . 1 1 51 51 ILE HG21 H 1 0.696 0.03 . 1 . . . A 131 ILE HG21 . 17673 1 573 . 1 1 51 51 ILE HG22 H 1 0.696 0.03 . 1 . . . A 131 ILE HG22 . 17673 1 574 . 1 1 51 51 ILE HG23 H 1 0.696 0.03 . 1 . . . A 131 ILE HG23 . 17673 1 575 . 1 1 51 51 ILE HD11 H 1 0.757 0.03 . 1 . . . A 131 ILE HD11 . 17673 1 576 . 1 1 51 51 ILE HD12 H 1 0.757 0.03 . 1 . . . A 131 ILE HD12 . 17673 1 577 . 1 1 51 51 ILE HD13 H 1 0.757 0.03 . 1 . . . A 131 ILE HD13 . 17673 1 578 . 1 1 51 51 ILE C C 13 176.350 0.30 . 1 . . . A 131 ILE C . 17673 1 579 . 1 1 51 51 ILE CA C 13 62.710 0.30 . 1 . . . A 131 ILE CA . 17673 1 580 . 1 1 51 51 ILE CB C 13 38.060 0.30 . 1 . . . A 131 ILE CB . 17673 1 581 . 1 1 51 51 ILE CG1 C 13 26.210 0.30 . 1 . . . A 131 ILE CG1 . 17673 1 582 . 1 1 51 51 ILE CG2 C 13 17.720 0.30 . 1 . . . A 131 ILE CG2 . 17673 1 583 . 1 1 51 51 ILE CD1 C 13 14.317 0.30 . 1 . . . A 131 ILE CD1 . 17673 1 584 . 1 1 51 51 ILE N N 15 109.320 0.30 . 1 . . . A 131 ILE N . 17673 1 585 . 1 1 52 52 HIS H H 1 8.064 0.03 . 1 . . . A 132 HIS H . 17673 1 586 . 1 1 52 52 HIS HA H 1 4.972 0.03 . 1 . . . A 132 HIS HA . 17673 1 587 . 1 1 52 52 HIS HB2 H 1 3.283 0.03 . 2 . . . A 132 HIS HB2 . 17673 1 588 . 1 1 52 52 HIS HB3 H 1 3.723 0.03 . 2 . . . A 132 HIS HB3 . 17673 1 589 . 1 1 52 52 HIS HD2 H 1 6.957 0.03 . 1 . . . A 132 HIS HD2 . 17673 1 590 . 1 1 52 52 HIS HE1 H 1 7.770 0.03 . 1 . . . A 132 HIS HE1 . 17673 1 591 . 1 1 52 52 HIS C C 13 172.680 0.30 . 1 . . . A 132 HIS C . 17673 1 592 . 1 1 52 52 HIS CA C 13 55.110 0.30 . 1 . . . A 132 HIS CA . 17673 1 593 . 1 1 52 52 HIS CB C 13 31.830 0.30 . 1 . . . A 132 HIS CB . 17673 1 594 . 1 1 52 52 HIS CD2 C 13 116.881 0.30 . 1 . . . A 132 HIS CD2 . 17673 1 595 . 1 1 52 52 HIS CE1 C 13 138.419 0.30 . 1 . . . A 132 HIS CE1 . 17673 1 596 . 1 1 52 52 HIS N N 15 121.710 0.30 . 1 . . . A 132 HIS N . 17673 1 597 . 1 1 53 53 VAL H H 1 7.614 0.03 . 1 . . . A 133 VAL H . 17673 1 598 . 1 1 53 53 VAL HA H 1 5.004 0.03 . 1 . . . A 133 VAL HA . 17673 1 599 . 1 1 53 53 VAL HB H 1 1.738 0.03 . 1 . . . A 133 VAL HB . 17673 1 600 . 1 1 53 53 VAL HG11 H 1 0.049 0.03 . 2 . . . A 133 VAL HG11 . 17673 1 601 . 1 1 53 53 VAL HG12 H 1 0.049 0.03 . 2 . . . A 133 VAL HG12 . 17673 1 602 . 1 1 53 53 VAL HG13 H 1 0.049 0.03 . 2 . . . A 133 VAL HG13 . 17673 1 603 . 1 1 53 53 VAL HG21 H 1 0.721 0.03 . 2 . . . A 133 VAL HG21 . 17673 1 604 . 1 1 53 53 VAL HG22 H 1 0.721 0.03 . 2 . . . A 133 VAL HG22 . 17673 1 605 . 1 1 53 53 VAL HG23 H 1 0.721 0.03 . 2 . . . A 133 VAL HG23 . 17673 1 606 . 1 1 53 53 VAL C C 13 173.990 0.30 . 1 . . . A 133 VAL C . 17673 1 607 . 1 1 53 53 VAL CA C 13 61.300 0.30 . 1 . . . A 133 VAL CA . 17673 1 608 . 1 1 53 53 VAL CB C 13 34.050 0.30 . 1 . . . A 133 VAL CB . 17673 1 609 . 1 1 53 53 VAL CG1 C 13 22.168 0.30 . 1 . . . A 133 VAL CG1 . 17673 1 610 . 1 1 53 53 VAL CG2 C 13 22.300 0.30 . 1 . . . A 133 VAL CG2 . 17673 1 611 . 1 1 53 53 VAL N N 15 118.360 0.30 . 1 . . . A 133 VAL N . 17673 1 612 . 1 1 54 54 LYS H H 1 9.207 0.03 . 1 . . . A 134 LYS H . 17673 1 613 . 1 1 54 54 LYS HA H 1 4.820 0.03 . 1 . . . A 134 LYS HA . 17673 1 614 . 1 1 54 54 LYS HB2 H 1 1.582 0.03 . 2 . . . A 134 LYS HB2 . 17673 1 615 . 1 1 54 54 LYS HB3 H 1 1.716 0.03 . 2 . . . A 134 LYS HB3 . 17673 1 616 . 1 1 54 54 LYS HG2 H 1 1.080 0.03 . 2 . . . A 134 LYS HG2 . 17673 1 617 . 1 1 54 54 LYS HG3 H 1 1.080 0.03 . 2 . . . A 134 LYS HG3 . 17673 1 618 . 1 1 54 54 LYS HD2 H 1 1.524 0.03 . 2 . . . A 134 LYS HD2 . 17673 1 619 . 1 1 54 54 LYS HD3 H 1 1.435 0.03 . 2 . . . A 134 LYS HD3 . 17673 1 620 . 1 1 54 54 LYS HE2 H 1 2.295 0.03 . 2 . . . A 134 LYS HE2 . 17673 1 621 . 1 1 54 54 LYS HE3 H 1 1.823 0.03 . 2 . . . A 134 LYS HE3 . 17673 1 622 . 1 1 54 54 LYS C C 13 173.820 0.30 . 1 . . . A 134 LYS C . 17673 1 623 . 1 1 54 54 LYS CA C 13 54.220 0.30 . 1 . . . A 134 LYS CA . 17673 1 624 . 1 1 54 54 LYS CB C 13 36.630 0.30 . 1 . . . A 134 LYS CB . 17673 1 625 . 1 1 54 54 LYS CG C 13 24.164 0.30 . 1 . . . A 134 LYS CG . 17673 1 626 . 1 1 54 54 LYS CD C 13 29.216 0.30 . 1 . . . A 134 LYS CD . 17673 1 627 . 1 1 54 54 LYS CE C 13 41.507 0.30 . 1 . . . A 134 LYS CE . 17673 1 628 . 1 1 54 54 LYS N N 15 123.720 0.30 . 1 . . . A 134 LYS N . 17673 1 629 . 1 1 55 55 ALA H H 1 8.560 0.03 . 1 . . . A 135 ALA H . 17673 1 630 . 1 1 55 55 ALA HA H 1 4.436 0.03 . 1 . . . A 135 ALA HA . 17673 1 631 . 1 1 55 55 ALA HB1 H 1 1.538 0.03 . 1 . . . A 135 ALA HB1 . 17673 1 632 . 1 1 55 55 ALA HB2 H 1 1.538 0.03 . 1 . . . A 135 ALA HB2 . 17673 1 633 . 1 1 55 55 ALA HB3 H 1 1.538 0.03 . 1 . . . A 135 ALA HB3 . 17673 1 634 . 1 1 55 55 ALA C C 13 177.670 0.30 . 1 . . . A 135 ALA C . 17673 1 635 . 1 1 55 55 ALA CA C 13 52.200 0.30 . 1 . . . A 135 ALA CA . 17673 1 636 . 1 1 55 55 ALA CB C 13 19.110 0.30 . 1 . . . A 135 ALA CB . 17673 1 637 . 1 1 55 55 ALA N N 15 121.610 0.30 . 1 . . . A 135 ALA N . 17673 1 638 . 1 1 56 56 PHE H H 1 8.680 0.03 . 1 . . . A 136 PHE H . 17673 1 639 . 1 1 56 56 PHE HA H 1 4.263 0.03 . 1 . . . A 136 PHE HA . 17673 1 640 . 1 1 56 56 PHE HB2 H 1 2.950 0.03 . 2 . . . A 136 PHE HB2 . 17673 1 641 . 1 1 56 56 PHE HB3 H 1 2.837 0.03 . 2 . . . A 136 PHE HB3 . 17673 1 642 . 1 1 56 56 PHE HD1 H 1 7.093 0.03 . 3 . . . A 136 PHE HD1 . 17673 1 643 . 1 1 56 56 PHE HE1 H 1 7.251 0.03 . 3 . . . A 136 PHE HE1 . 17673 1 644 . 1 1 56 56 PHE C C 13 175.380 0.30 . 1 . . . A 136 PHE C . 17673 1 645 . 1 1 56 56 PHE CA C 13 58.860 0.30 . 1 . . . A 136 PHE CA . 17673 1 646 . 1 1 56 56 PHE CB C 13 40.150 0.30 . 1 . . . A 136 PHE CB . 17673 1 647 . 1 1 56 56 PHE CD1 C 13 131.423 0.30 . 3 . . . A 136 PHE CD1 . 17673 1 648 . 1 1 56 56 PHE CE1 C 13 131.511 0.30 . 3 . . . A 136 PHE CE1 . 17673 1 649 . 1 1 56 56 PHE N N 15 120.080 0.30 . 1 . . . A 136 PHE N . 17673 1 650 . 1 1 57 57 SER H H 1 7.298 0.03 . 1 . . . A 137 SER H . 17673 1 651 . 1 1 57 57 SER HA H 1 4.367 0.03 . 1 . . . A 137 SER HA . 17673 1 652 . 1 1 57 57 SER HB2 H 1 3.653 0.03 . 2 . . . A 137 SER HB2 . 17673 1 653 . 1 1 57 57 SER HB3 H 1 3.773 0.03 . 2 . . . A 137 SER HB3 . 17673 1 654 . 1 1 57 57 SER CA C 13 57.350 0.30 . 1 . . . A 137 SER CA . 17673 1 655 . 1 1 57 57 SER CB C 13 64.220 0.30 . 1 . . . A 137 SER CB . 17673 1 656 . 1 1 57 57 SER N N 15 117.820 0.30 . 1 . . . A 137 SER N . 17673 1 657 . 1 1 58 58 LYS HA H 1 4.178 0.03 . 1 . . . A 138 LYS HA . 17673 1 658 . 1 1 58 58 LYS HB2 H 1 1.757 0.03 . 2 . . . A 138 LYS HB2 . 17673 1 659 . 1 1 58 58 LYS HB3 H 1 1.851 0.03 . 2 . . . A 138 LYS HB3 . 17673 1 660 . 1 1 58 58 LYS HG2 H 1 1.436 0.03 . 2 . . . A 138 LYS HG2 . 17673 1 661 . 1 1 58 58 LYS HG3 H 1 1.436 0.03 . 2 . . . A 138 LYS HG3 . 17673 1 662 . 1 1 58 58 LYS HD2 H 1 1.688 0.03 . 2 . . . A 138 LYS HD2 . 17673 1 663 . 1 1 58 58 LYS HD3 H 1 1.688 0.03 . 2 . . . A 138 LYS HD3 . 17673 1 664 . 1 1 58 58 LYS HE2 H 1 3.012 0.03 . 2 . . . A 138 LYS HE2 . 17673 1 665 . 1 1 58 58 LYS HE3 H 1 3.012 0.03 . 2 . . . A 138 LYS HE3 . 17673 1 666 . 1 1 58 58 LYS C C 13 176.260 0.30 . 1 . . . A 138 LYS C . 17673 1 667 . 1 1 58 58 LYS CA C 13 56.740 0.30 . 1 . . . A 138 LYS CA . 17673 1 668 . 1 1 58 58 LYS CB C 13 32.800 0.30 . 1 . . . A 138 LYS CB . 17673 1 669 . 1 1 58 58 LYS CG C 13 24.744 0.30 . 1 . . . A 138 LYS CG . 17673 1 670 . 1 1 58 58 LYS CD C 13 29.200 0.30 . 1 . . . A 138 LYS CD . 17673 1 671 . 1 1 58 58 LYS CE C 13 42.180 0.30 . 1 . . . A 138 LYS CE . 17673 1 672 . 1 1 59 59 ASP H H 1 8.245 0.03 . 1 . . . A 139 ASP H . 17673 1 673 . 1 1 59 59 ASP HA H 1 4.525 0.03 . 1 . . . A 139 ASP HA . 17673 1 674 . 1 1 59 59 ASP HB2 H 1 2.556 0.03 . 2 . . . A 139 ASP HB2 . 17673 1 675 . 1 1 59 59 ASP HB3 H 1 2.692 0.03 . 2 . . . A 139 ASP HB3 . 17673 1 676 . 1 1 59 59 ASP CA C 13 54.640 0.30 . 1 . . . A 139 ASP CA . 17673 1 677 . 1 1 59 59 ASP CB C 13 40.980 0.30 . 1 . . . A 139 ASP CB . 17673 1 678 . 1 1 59 59 ASP N N 15 120.500 0.30 . 1 . . . A 139 ASP N . 17673 1 679 . 1 1 60 60 GLN H H 1 8.212 0.03 . 1 . . . A 140 GLN H . 17673 1 680 . 1 1 60 60 GLN HA H 1 4.247 0.03 . 1 . . . A 140 GLN HA . 17673 1 681 . 1 1 60 60 GLN HB2 H 1 1.917 0.03 . 2 . . . A 140 GLN HB2 . 17673 1 682 . 1 1 60 60 GLN HB3 H 1 2.114 0.03 . 2 . . . A 140 GLN HB3 . 17673 1 683 . 1 1 60 60 GLN HG2 H 1 2.293 0.03 . 2 . . . A 140 GLN HG2 . 17673 1 684 . 1 1 60 60 GLN HG3 H 1 2.293 0.03 . 2 . . . A 140 GLN HG3 . 17673 1 685 . 1 1 60 60 GLN HE21 H 1 6.819 0.03 . 2 . . . A 140 GLN HE21 . 17673 1 686 . 1 1 60 60 GLN HE22 H 1 7.519 0.03 . 2 . . . A 140 GLN HE22 . 17673 1 687 . 1 1 60 60 GLN CA C 13 56.060 0.30 . 1 . . . A 140 GLN CA . 17673 1 688 . 1 1 60 60 GLN CB C 13 29.390 0.30 . 1 . . . A 140 GLN CB . 17673 1 689 . 1 1 60 60 GLN CG C 13 33.860 0.30 . 1 . . . A 140 GLN CG . 17673 1 690 . 1 1 60 60 GLN N N 15 120.290 0.30 . 1 . . . A 140 GLN N . 17673 1 691 . 1 1 60 60 GLN NE2 N 15 112.458 0.30 . 1 . . . A 140 GLN NE2 . 17673 1 692 . 1 1 61 61 ASN H H 1 8.064 0.03 . 1 . . . A 141 ASN H . 17673 1 693 . 1 1 61 61 ASN HA H 1 4.721 0.03 . 1 . . . A 141 ASN HA . 17673 1 694 . 1 1 61 61 ASN HB2 H 1 2.821 0.03 . 2 . . . A 141 ASN HB2 . 17673 1 695 . 1 1 61 61 ASN HB3 H 1 2.749 0.03 . 2 . . . A 141 ASN HB3 . 17673 1 696 . 1 1 61 61 ASN HD21 H 1 6.921 0.03 . 2 . . . A 141 ASN HD21 . 17673 1 697 . 1 1 61 61 ASN HD22 H 1 7.671 0.03 . 2 . . . A 141 ASN HD22 . 17673 1 698 . 1 1 61 61 ASN CA C 13 53.079 0.30 . 1 . . . A 141 ASN CA . 17673 1 699 . 1 1 61 61 ASN CB C 13 38.910 0.30 . 1 . . . A 141 ASN CB . 17673 1 700 . 1 1 61 61 ASN N N 15 121.710 0.30 . 1 . . . A 141 ASN N . 17673 1 701 . 1 1 61 61 ASN ND2 N 15 113.133 0.30 . 1 . . . A 141 ASN ND2 . 17673 1 702 . 1 1 62 62 ILE H H 1 8.010 0.03 . 1 . . . A 142 ILE H . 17673 1 703 . 1 1 62 62 ILE HA H 1 4.172 0.03 . 1 . . . A 142 ILE HA . 17673 1 704 . 1 1 62 62 ILE HB H 1 1.877 0.03 . 1 . . . A 142 ILE HB . 17673 1 705 . 1 1 62 62 ILE HG12 H 1 1.147 0.03 . 1 . . . A 142 ILE HG12 . 17673 1 706 . 1 1 62 62 ILE HG13 H 1 1.424 0.03 . 1 . . . A 142 ILE HG13 . 17673 1 707 . 1 1 62 62 ILE HG21 H 1 0.852 0.03 . 1 . . . A 142 ILE HG21 . 17673 1 708 . 1 1 62 62 ILE HG22 H 1 0.852 0.03 . 1 . . . A 142 ILE HG22 . 17673 1 709 . 1 1 62 62 ILE HG23 H 1 0.852 0.03 . 1 . . . A 142 ILE HG23 . 17673 1 710 . 1 1 62 62 ILE HD11 H 1 0.815 0.03 . 1 . . . A 142 ILE HD11 . 17673 1 711 . 1 1 62 62 ILE HD12 H 1 0.815 0.03 . 1 . . . A 142 ILE HD12 . 17673 1 712 . 1 1 62 62 ILE HD13 H 1 0.815 0.03 . 1 . . . A 142 ILE HD13 . 17673 1 713 . 1 1 62 62 ILE C C 13 176.330 0.30 . 1 . . . A 142 ILE C . 17673 1 714 . 1 1 62 62 ILE CA C 13 61.350 0.30 . 1 . . . A 142 ILE CA . 17673 1 715 . 1 1 62 62 ILE CB C 13 38.575 0.30 . 1 . . . A 142 ILE CB . 17673 1 716 . 1 1 62 62 ILE CG1 C 13 27.200 0.30 . 1 . . . A 142 ILE CG1 . 17673 1 717 . 1 1 62 62 ILE CG2 C 13 17.442 0.30 . 1 . . . A 142 ILE CG2 . 17673 1 718 . 1 1 62 62 ILE CD1 C 13 12.867 0.30 . 1 . . . A 142 ILE CD1 . 17673 1 719 . 1 1 62 62 ILE N N 15 120.890 0.30 . 1 . . . A 142 ILE N . 17673 1 720 . 1 1 63 63 VAL H H 1 8.157 0.03 . 1 . . . A 143 VAL H . 17673 1 721 . 1 1 63 63 VAL HA H 1 4.108 0.03 . 1 . . . A 143 VAL HA . 17673 1 722 . 1 1 63 63 VAL HB H 1 2.082 0.03 . 1 . . . A 143 VAL HB . 17673 1 723 . 1 1 63 63 VAL HG11 H 1 1.066 0.03 . 2 . . . A 143 VAL HG11 . 17673 1 724 . 1 1 63 63 VAL HG12 H 1 1.066 0.03 . 2 . . . A 143 VAL HG12 . 17673 1 725 . 1 1 63 63 VAL HG13 H 1 1.066 0.03 . 2 . . . A 143 VAL HG13 . 17673 1 726 . 1 1 63 63 VAL HG21 H 1 0.921 0.03 . 2 . . . A 143 VAL HG21 . 17673 1 727 . 1 1 63 63 VAL HG22 H 1 0.921 0.03 . 2 . . . A 143 VAL HG22 . 17673 1 728 . 1 1 63 63 VAL HG23 H 1 0.921 0.03 . 2 . . . A 143 VAL HG23 . 17673 1 729 . 1 1 63 63 VAL C C 13 176.740 0.30 . 1 . . . A 143 VAL C . 17673 1 730 . 1 1 63 63 VAL CA C 13 62.710 0.30 . 1 . . . A 143 VAL CA . 17673 1 731 . 1 1 63 63 VAL CB C 13 32.570 0.30 . 1 . . . A 143 VAL CB . 17673 1 732 . 1 1 63 63 VAL CG1 C 13 20.470 0.30 . 1 . . . A 143 VAL CG1 . 17673 1 733 . 1 1 63 63 VAL CG2 C 13 20.870 0.30 . 1 . . . A 143 VAL CG2 . 17673 1 734 . 1 1 63 63 VAL N N 15 123.520 0.30 . 1 . . . A 143 VAL N . 17673 1 735 . 1 1 64 64 GLY H H 1 8.408 0.03 . 1 . . . A 144 GLY H . 17673 1 736 . 1 1 64 64 GLY HA2 H 1 3.955 0.03 . 2 . . . A 144 GLY HA2 . 17673 1 737 . 1 1 64 64 GLY HA3 H 1 3.955 0.03 . 2 . . . A 144 GLY HA3 . 17673 1 738 . 1 1 64 64 GLY C C 13 173.940 0.30 . 1 . . . A 144 GLY C . 17673 1 739 . 1 1 64 64 GLY CA C 13 45.480 0.30 . 1 . . . A 144 GLY CA . 17673 1 740 . 1 1 64 64 GLY N N 15 112.060 0.30 . 1 . . . A 144 GLY N . 17673 1 741 . 1 1 65 65 ASN H H 1 8.305 0.03 . 1 . . . A 145 ASN H . 17673 1 742 . 1 1 65 65 ASN HA H 1 4.716 0.03 . 1 . . . A 145 ASN HA . 17673 1 743 . 1 1 65 65 ASN HB2 H 1 2.803 0.03 . 2 . . . A 145 ASN HB2 . 17673 1 744 . 1 1 65 65 ASN HB3 H 1 2.803 0.03 . 2 . . . A 145 ASN HB3 . 17673 1 745 . 1 1 65 65 ASN HD21 H 1 6.632 0.03 . 2 . . . A 145 ASN HD21 . 17673 1 746 . 1 1 65 65 ASN HD22 H 1 7.365 0.03 . 2 . . . A 145 ASN HD22 . 17673 1 747 . 1 1 65 65 ASN C C 13 175.220 0.30 . 1 . . . A 145 ASN C . 17673 1 748 . 1 1 65 65 ASN CA C 13 53.160 0.30 . 1 . . . A 145 ASN CA . 17673 1 749 . 1 1 65 65 ASN CB C 13 39.000 0.30 . 1 . . . A 145 ASN CB . 17673 1 750 . 1 1 65 65 ASN N N 15 118.830 0.30 . 1 . . . A 145 ASN N . 17673 1 751 . 1 1 65 65 ASN ND2 N 15 113.424 0.30 . 1 . . . A 145 ASN ND2 . 17673 1 752 . 1 1 66 66 ALA H H 1 8.341 0.03 . 1 . . . A 146 ALA H . 17673 1 753 . 1 1 66 66 ALA HA H 1 4.340 0.03 . 1 . . . A 146 ALA HA . 17673 1 754 . 1 1 66 66 ALA HB1 H 1 1.401 0.03 . 1 . . . A 146 ALA HB1 . 17673 1 755 . 1 1 66 66 ALA HB2 H 1 1.401 0.03 . 1 . . . A 146 ALA HB2 . 17673 1 756 . 1 1 66 66 ALA HB3 H 1 1.401 0.03 . 1 . . . A 146 ALA HB3 . 17673 1 757 . 1 1 66 66 ALA C C 13 177.870 0.30 . 1 . . . A 146 ALA C . 17673 1 758 . 1 1 66 66 ALA CA C 13 53.020 0.30 . 1 . . . A 146 ALA CA . 17673 1 759 . 1 1 66 66 ALA CB C 13 19.090 0.30 . 1 . . . A 146 ALA CB . 17673 1 760 . 1 1 66 66 ALA N N 15 124.400 0.30 . 1 . . . A 146 ALA N . 17673 1 761 . 1 1 67 67 ARG H H 1 8.358 0.03 . 1 . . . A 147 ARG H . 17673 1 762 . 1 1 67 67 ARG HA H 1 4.308 0.03 . 1 . . . A 147 ARG HA . 17673 1 763 . 1 1 67 67 ARG HB2 H 1 1.769 0.03 . 2 . . . A 147 ARG HB2 . 17673 1 764 . 1 1 67 67 ARG HB3 H 1 1.881 0.03 . 2 . . . A 147 ARG HB3 . 17673 1 765 . 1 1 67 67 ARG HG2 H 1 1.630 0.03 . 2 . . . A 147 ARG HG2 . 17673 1 766 . 1 1 67 67 ARG HG3 H 1 1.630 0.03 . 2 . . . A 147 ARG HG3 . 17673 1 767 . 1 1 67 67 ARG HD2 H 1 3.179 0.03 . 2 . . . A 147 ARG HD2 . 17673 1 768 . 1 1 67 67 ARG HD3 H 1 3.179 0.03 . 2 . . . A 147 ARG HD3 . 17673 1 769 . 1 1 67 67 ARG C C 13 177.110 0.30 . 1 . . . A 147 ARG C . 17673 1 770 . 1 1 67 67 ARG CA C 13 56.590 0.30 . 1 . . . A 147 ARG CA . 17673 1 771 . 1 1 67 67 ARG CB C 13 30.620 0.30 . 1 . . . A 147 ARG CB . 17673 1 772 . 1 1 67 67 ARG CG C 13 27.130 0.30 . 1 . . . A 147 ARG CG . 17673 1 773 . 1 1 67 67 ARG CD C 13 43.370 0.30 . 1 . . . A 147 ARG CD . 17673 1 774 . 1 1 67 67 ARG N N 15 119.840 0.30 . 1 . . . A 147 ARG N . 17673 1 775 . 1 1 68 68 GLY H H 1 8.430 0.03 . 1 . . . A 200 GLY H . 17673 1 776 . 1 1 68 68 GLY HA2 H 1 4.000 0.03 . 2 . . . A 200 GLY HA2 . 17673 1 777 . 1 1 68 68 GLY HA3 H 1 4.000 0.03 . 2 . . . A 200 GLY HA3 . 17673 1 778 . 1 1 68 68 GLY C C 13 174.330 0.30 . 1 . . . A 200 GLY C . 17673 1 779 . 1 1 68 68 GLY CA C 13 45.420 0.30 . 1 . . . A 200 GLY CA . 17673 1 780 . 1 1 68 68 GLY N N 15 109.790 0.30 . 1 . . . A 200 GLY N . 17673 1 781 . 1 1 69 69 SER H H 1 8.286 0.03 . 1 . . . A 201 SER H . 17673 1 782 . 1 1 69 69 SER HA H 1 4.460 0.03 . 1 . . . A 201 SER HA . 17673 1 783 . 1 1 69 69 SER HB2 H 1 3.869 0.03 . 2 . . . A 201 SER HB2 . 17673 1 784 . 1 1 69 69 SER HB3 H 1 3.869 0.03 . 2 . . . A 201 SER HB3 . 17673 1 785 . 1 1 69 69 SER C C 13 174.300 0.30 . 1 . . . A 201 SER C . 17673 1 786 . 1 1 69 69 SER CA C 13 58.680 0.30 . 1 . . . A 201 SER CA . 17673 1 787 . 1 1 69 69 SER CB C 13 63.860 0.30 . 1 . . . A 201 SER CB . 17673 1 788 . 1 1 69 69 SER N N 15 115.890 0.30 . 1 . . . A 201 SER N . 17673 1 789 . 1 1 70 70 ARG H H 1 8.369 0.03 . 1 . . . A 363 ARG H . 17673 1 790 . 1 1 70 70 ARG HA H 1 4.345 0.03 . 1 . . . A 363 ARG HA . 17673 1 791 . 1 1 70 70 ARG HB2 H 1 1.762 0.03 . 2 . . . A 363 ARG HB2 . 17673 1 792 . 1 1 70 70 ARG HB3 H 1 1.887 0.03 . 2 . . . A 363 ARG HB3 . 17673 1 793 . 1 1 70 70 ARG HG2 H 1 1.622 0.03 . 2 . . . A 363 ARG HG2 . 17673 1 794 . 1 1 70 70 ARG HG3 H 1 1.622 0.03 . 2 . . . A 363 ARG HG3 . 17673 1 795 . 1 1 70 70 ARG HD2 H 1 3.187 0.03 . 2 . . . A 363 ARG HD2 . 17673 1 796 . 1 1 70 70 ARG HD3 H 1 3.187 0.03 . 2 . . . A 363 ARG HD3 . 17673 1 797 . 1 1 70 70 ARG CA C 13 56.680 0.30 . 1 . . . A 363 ARG CA . 17673 1 798 . 1 1 70 70 ARG CB C 13 30.590 0.30 . 1 . . . A 363 ARG CB . 17673 1 799 . 1 1 70 70 ARG CG C 13 27.220 0.30 . 1 . . . A 363 ARG CG . 17673 1 800 . 1 1 70 70 ARG CD C 13 43.400 0.30 . 1 . . . A 363 ARG CD . 17673 1 801 . 1 1 70 70 ARG N N 15 123.540 0.30 . 1 . . . A 363 ARG N . 17673 1 802 . 1 1 71 71 ALA H H 1 8.267 0.03 . 1 . . . A 364 ALA H . 17673 1 803 . 1 1 71 71 ALA HA H 1 4.264 0.03 . 1 . . . A 364 ALA HA . 17673 1 804 . 1 1 71 71 ALA HB1 H 1 1.323 0.03 . 1 . . . A 364 ALA HB1 . 17673 1 805 . 1 1 71 71 ALA HB2 H 1 1.323 0.03 . 1 . . . A 364 ALA HB2 . 17673 1 806 . 1 1 71 71 ALA HB3 H 1 1.323 0.03 . 1 . . . A 364 ALA HB3 . 17673 1 807 . 1 1 71 71 ALA CA C 13 52.655 0.30 . 1 . . . A 364 ALA CA . 17673 1 808 . 1 1 71 71 ALA CB C 13 19.130 0.30 . 1 . . . A 364 ALA CB . 17673 1 809 . 1 1 71 71 ALA N N 15 124.540 0.30 . 1 . . . A 364 ALA N . 17673 1 810 . 1 1 72 72 HIS H H 1 8.447 0.03 . 1 . . . A 365 HIS H . 17673 1 811 . 1 1 72 72 HIS HA H 1 4.824 0.03 . 1 . . . A 365 HIS HA . 17673 1 812 . 1 1 72 72 HIS HB2 H 1 3.130 0.03 . 2 . . . A 365 HIS HB2 . 17673 1 813 . 1 1 72 72 HIS HB3 H 1 3.130 0.03 . 2 . . . A 365 HIS HB3 . 17673 1 814 . 1 1 72 72 HIS HE1 H 1 7.777 0.03 . 1 . . . A 365 HIS HE1 . 17673 1 815 . 1 1 72 72 HIS CE1 C 13 138.430 0.30 . 1 . . . A 365 HIS CE1 . 17673 1 816 . 1 1 73 73 SER H H 1 8.287 0.03 . 1 . . . A 366 SER H . 17673 1 817 . 1 1 73 73 SER HA H 1 4.460 0.03 . 1 . . . A 366 SER HA . 17673 1 818 . 1 1 73 73 SER HB2 H 1 3.875 0.03 . 2 . . . A 366 SER HB2 . 17673 1 819 . 1 1 73 73 SER HB3 H 1 3.875 0.03 . 2 . . . A 366 SER HB3 . 17673 1 820 . 1 1 73 73 SER CA C 13 58.330 0.30 . 1 . . . A 366 SER CA . 17673 1 821 . 1 1 73 73 SER CB C 13 64.030 0.30 . 1 . . . A 366 SER CB . 17673 1 822 . 1 1 73 73 SER N N 15 117.450 0.30 . 1 . . . A 366 SER N . 17673 1 823 . 1 1 74 74 SER H H 1 8.287 0.03 . 1 . . . A 367 SER H . 17673 1 824 . 1 1 74 74 SER HA H 1 4.460 0.03 . 1 . . . A 367 SER HA . 17673 1 825 . 1 1 74 74 SER HB2 H 1 3.875 0.03 . 2 . . . A 367 SER HB2 . 17673 1 826 . 1 1 74 74 SER HB3 H 1 3.875 0.03 . 2 . . . A 367 SER HB3 . 17673 1 827 . 1 1 74 74 SER CA C 13 58.330 0.30 . 1 . . . A 367 SER CA . 17673 1 828 . 1 1 74 74 SER CB C 13 64.030 0.30 . 1 . . . A 367 SER CB . 17673 1 829 . 1 1 74 74 SER N N 15 117.450 0.30 . 1 . . . A 367 SER N . 17673 1 830 . 1 1 75 75 HIS HB3 H 1 3.140 0.03 . 2 . . . A 368 HIS HB3 . 17673 1 831 . 1 1 75 75 HIS HE1 H 1 7.952 0.03 . 1 . . . A 368 HIS HE1 . 17673 1 832 . 1 1 75 75 HIS CE1 C 13 138.159 0.30 . 1 . . . A 368 HIS CE1 . 17673 1 833 . 1 1 76 76 LEU H H 1 8.085 0.03 . 1 . . . A 369 LEU H . 17673 1 834 . 1 1 76 76 LEU HA H 1 4.338 0.03 . 1 . . . A 369 LEU HA . 17673 1 835 . 1 1 76 76 LEU HB2 H 1 1.639 0.03 . 2 . . . A 369 LEU HB2 . 17673 1 836 . 1 1 76 76 LEU HB3 H 1 1.566 0.03 . 2 . . . A 369 LEU HB3 . 17673 1 837 . 1 1 76 76 LEU HG H 1 1.435 0.03 . 1 . . . A 369 LEU HG . 17673 1 838 . 1 1 76 76 LEU HD11 H 1 0.901 0.03 . 2 . . . A 369 LEU HD11 . 17673 1 839 . 1 1 76 76 LEU HD12 H 1 0.901 0.03 . 2 . . . A 369 LEU HD12 . 17673 1 840 . 1 1 76 76 LEU HD13 H 1 0.901 0.03 . 2 . . . A 369 LEU HD13 . 17673 1 841 . 1 1 76 76 LEU HD21 H 1 0.836 0.03 . 2 . . . A 369 LEU HD21 . 17673 1 842 . 1 1 76 76 LEU HD22 H 1 0.836 0.03 . 2 . . . A 369 LEU HD22 . 17673 1 843 . 1 1 76 76 LEU HD23 H 1 0.836 0.03 . 2 . . . A 369 LEU HD23 . 17673 1 844 . 1 1 76 76 LEU CA C 13 55.220 0.30 . 1 . . . A 369 LEU CA . 17673 1 845 . 1 1 76 76 LEU CB C 13 42.147 0.30 . 1 . . . A 369 LEU CB . 17673 1 846 . 1 1 76 76 LEU CG C 13 26.933 0.30 . 1 . . . A 369 LEU CG . 17673 1 847 . 1 1 76 76 LEU CD1 C 13 25.017 0.30 . 1 . . . A 369 LEU CD1 . 17673 1 848 . 1 1 76 76 LEU CD2 C 13 23.307 0.30 . 1 . . . A 369 LEU CD2 . 17673 1 849 . 1 1 76 76 LEU N N 15 122.205 0.30 . 1 . . . A 369 LEU N . 17673 1 850 . 1 1 77 77 M2L CA C 13 55.771 0.30 . 1 . . . A 370 M2L CA . 17673 1 851 . 1 1 77 77 M2L HA H 1 4.534 0.03 . 1 . . . A 370 M2L HA . 17673 1 852 . 1 1 77 77 M2L CB C 13 35.170 0.30 . 1 . . . A 370 M2L CB . 17673 1 853 . 1 1 77 77 M2L HB H 1 2.852 0.03 . 2 . . . A 370 M2L HB . 17673 1 854 . 1 1 77 77 M2L HBA H 1 2.987 0.03 . 2 . . . A 370 M2L HBA . 17673 1 855 . 1 1 77 77 M2L HE H 1 3.166 0.03 . 2 . . . A 370 M2L HE . 17673 1 856 . 1 1 77 77 M2L HEA H 1 2.980 0.03 . 2 . . . A 370 M2L HEA . 17673 1 857 . 1 1 77 77 M2L CM1 C 13 46.770 0.30 . 1 . . . A 370 M2L CM1 . 17673 1 858 . 1 1 77 77 M2L HM1 H 1 2.411 0.03 . 1 . . . A 370 M2L HM2 . 17673 1 859 . 1 1 77 77 M2L HM1A H 1 2.411 0.03 . 1 . . . A 370 M2L HM1A . 17673 1 860 . 1 1 77 77 M2L HM1B H 1 2.411 0.03 . 1 . . . A 370 M2L HM1B . 17673 1 861 . 1 1 77 77 M2L CM2 C 13 46.770 0.30 . 1 . . . A 370 M2L CM2 . 17673 1 862 . 1 1 77 77 M2L HM2 H 1 2.411 0.03 . 1 . . . A 370 M2L HM2 . 17673 1 863 . 1 1 77 77 M2L HM2A H 1 2.411 0.03 . 1 . . . A 370 M2L HM2A . 17673 1 864 . 1 1 77 77 M2L HM2B H 1 2.411 0.03 . 1 . . . A 370 M2L HM2B . 17673 1 865 . 1 1 78 78 SER HB2 H 1 3.870 0.03 . 2 . . . A 371 SER HB2 . 17673 1 866 . 1 1 78 78 SER CB C 13 64.270 0.30 . 1 . . . A 371 SER CB . 17673 1 867 . 1 1 79 79 LYS H H 1 8.416 0.03 . 1 . . . A 372 LYS H . 17673 1 868 . 1 1 79 79 LYS HA H 1 4.348 0.03 . 1 . . . A 372 LYS HA . 17673 1 869 . 1 1 79 79 LYS HB2 H 1 1.859 0.03 . 2 . . . A 372 LYS HB2 . 17673 1 870 . 1 1 79 79 LYS HB3 H 1 1.760 0.03 . 2 . . . A 372 LYS HB3 . 17673 1 871 . 1 1 79 79 LYS HG2 H 1 1.431 0.03 . 2 . . . A 372 LYS HG2 . 17673 1 872 . 1 1 79 79 LYS HG3 H 1 1.431 0.03 . 2 . . . A 372 LYS HG3 . 17673 1 873 . 1 1 79 79 LYS HD2 H 1 1.685 0.03 . 2 . . . A 372 LYS HD2 . 17673 1 874 . 1 1 79 79 LYS HD3 H 1 1.685 0.03 . 2 . . . A 372 LYS HD3 . 17673 1 875 . 1 1 79 79 LYS HE2 H 1 3.009 0.03 . 2 . . . A 372 LYS HE2 . 17673 1 876 . 1 1 79 79 LYS HE3 H 1 3.009 0.03 . 2 . . . A 372 LYS HE3 . 17673 1 877 . 1 1 79 79 LYS CA C 13 56.640 0.30 . 1 . . . A 372 LYS CA . 17673 1 878 . 1 1 79 79 LYS CB C 13 33.150 0.30 . 1 . . . A 372 LYS CB . 17673 1 879 . 1 1 79 79 LYS CG C 13 24.696 0.30 . 1 . . . A 372 LYS CG . 17673 1 880 . 1 1 79 79 LYS CD C 13 29.140 0.30 . 1 . . . A 372 LYS CD . 17673 1 881 . 1 1 79 79 LYS CE C 13 42.125 0.30 . 1 . . . A 372 LYS CE . 17673 1 882 . 1 1 79 79 LYS N N 15 123.390 0.30 . 1 . . . A 372 LYS N . 17673 1 883 . 1 1 80 80 LYS H H 1 8.416 0.03 . 1 . . . A 373 LYS H . 17673 1 884 . 1 1 80 80 LYS HA H 1 4.348 0.03 . 1 . . . A 373 LYS HA . 17673 1 885 . 1 1 80 80 LYS HB2 H 1 1.859 0.03 . 2 . . . A 373 LYS HB2 . 17673 1 886 . 1 1 80 80 LYS HB3 H 1 1.760 0.03 . 2 . . . A 373 LYS HB3 . 17673 1 887 . 1 1 80 80 LYS HG2 H 1 1.431 0.03 . 2 . . . A 373 LYS HG2 . 17673 1 888 . 1 1 80 80 LYS HG3 H 1 1.431 0.03 . 2 . . . A 373 LYS HG3 . 17673 1 889 . 1 1 80 80 LYS HD2 H 1 1.685 0.03 . 2 . . . A 373 LYS HD2 . 17673 1 890 . 1 1 80 80 LYS HD3 H 1 1.685 0.03 . 2 . . . A 373 LYS HD3 . 17673 1 891 . 1 1 80 80 LYS HE2 H 1 3.009 0.03 . 2 . . . A 373 LYS HE2 . 17673 1 892 . 1 1 80 80 LYS HE3 H 1 3.009 0.03 . 2 . . . A 373 LYS HE3 . 17673 1 893 . 1 1 80 80 LYS CA C 13 56.286 0.30 . 1 . . . A 373 LYS CA . 17673 1 894 . 1 1 80 80 LYS CB C 13 33.150 0.30 . 1 . . . A 373 LYS CB . 17673 1 895 . 1 1 80 80 LYS CG C 13 24.696 0.30 . 1 . . . A 373 LYS CG . 17673 1 896 . 1 1 80 80 LYS CD C 13 29.140 0.30 . 1 . . . A 373 LYS CD . 17673 1 897 . 1 1 80 80 LYS CE C 13 42.125 0.30 . 1 . . . A 373 LYS CE . 17673 1 898 . 1 1 80 80 LYS N N 15 123.390 0.30 . 1 . . . A 373 LYS N . 17673 1 899 . 1 1 81 81 GLY H H 1 8.021 0.03 . 1 . . . A 374 GLY H . 17673 1 900 . 1 1 81 81 GLY HA2 H 1 3.761 0.03 . 2 . . . A 374 GLY HA2 . 17673 1 901 . 1 1 81 81 GLY HA3 H 1 3.761 0.03 . 2 . . . A 374 GLY HA3 . 17673 1 902 . 1 1 81 81 GLY CA C 13 46.271 0.30 . 1 . . . A 374 GLY CA . 17673 1 903 . 1 1 81 81 GLY N N 15 116.660 0.30 . 1 . . . A 374 GLY N . 17673 1 stop_ save_