data_15113 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15113 _Entry.Title ; Solution Structure of the Rous Sarcoma Virus Nucleocapsid Protein:muPsi RNA Packaging Signal Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-24 _Entry.Accession_date 2007-01-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 J. Zhou J. . . 15113 2 M. Summers M. F. . 15113 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Protein-RNA complex' 'Protein-RNA complex' 15113 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15113 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 88 15113 '1H chemical shifts' 567 15113 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 . . 2007-03-06 2007-03-06 update BMRB 'chemical shift reference update' 15113 1 . . 2007-03-05 2007-03-05 original author 'Original release' 15113 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2IHX 'BMRB Entry Tracking System' 15113 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15113 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17070546 _Citation.Full_citation . _Citation.Title ; Solution Structure of the Rous Sarcoma Virus Nucleocaspid Protein:muPsi RNA Packaging Signal Complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 365 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 453 _Citation.Page_last 467 _Citation.Year 2007 _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 J. Zhou J. . . 15113 1 2 R. Bean R. L. . 15113 1 3 V. Vogt V. M. . 15113 1 4 M. Summers M. F. . 15113 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'nucleocapsid (NC) protein' 15113 1 psi-site 15113 1 'ribonucleic acid (RNA)' 15113 1 'Rous sarcoma virus' 15113 1 'UNCG tetraloop' 15113 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15113 _Assembly.ID 1 _Assembly.Name 'NC:muPsi complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 Zn 1 $ZN C . no native no no . . . 15113 1 2 'muPsi RNA' 2 $muPsi_RNA A . yes native no no . . . 15113 1 3 'NC protein' 3 $Nucleocapsid_(NC)_Protein B . yes native no no . . . 15113 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15113 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 15113 1 stop_ save_ save_muPsi_RNA _Entity.Sf_category entity _Entity.Sf_framecode muPsi_RNA _Entity.Entry_ID 15113 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name muPsi_RNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CUGCCCUCAUCCGUCUCGCU UAUUCGGGGAGCGGACGAUG ACCCUAGUAGAGGGGGCUGC GGCUUAGGAGGGCAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment 'minimal RNA packaging signal in the 5'- untranslated region (UTR) of Rous sarcoma virus (RSV)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 15113 2 'Aspartyl protease' SWS-KEYWORD 15113 2 'Capsid protein' SWS-KEYWORD 15113 2 'Core protein' SWS-KEYWORD 15113 2 'Direct protein sequencing' SWS-KEYWORD 15113 2 Hydrolase SWS-KEYWORD 15113 2 Metal-binding SWS-KEYWORD 15113 2 'Nucleocapsid (NC) Protein' RCSB_NAME 15113 2 Protease SWS-KEYWORD 15113 2 Repeat SWS-KEYWORD 15113 2 'Virion protein' SWS-KEYWORD 15113 2 Zinc SWS-KEYWORD 15113 2 Zinc-finger SWS-KEYWORD 15113 2 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 1 160 C . 15113 2 2 161 U . 15113 2 3 162 G . 15113 2 4 163 C . 15113 2 5 164 C . 15113 2 6 165 C . 15113 2 7 166 U . 15113 2 8 167 C . 15113 2 9 168 A . 15113 2 10 169 U . 15113 2 11 170 C . 15113 2 12 171 C . 15113 2 13 172 G . 15113 2 14 173 U . 15113 2 15 174 C . 15113 2 16 175 U . 15113 2 17 176 C . 15113 2 18 177 G . 15113 2 19 178 C . 15113 2 20 179 U . 15113 2 21 180 U . 15113 2 22 181 A . 15113 2 23 182 U . 15113 2 24 183 U . 15113 2 25 184 C . 15113 2 26 185 G . 15113 2 27 186 G . 15113 2 28 187 G . 15113 2 29 188 G . 15113 2 30 189 A . 15113 2 31 190 G . 15113 2 32 191 C . 15113 2 33 192 G . 15113 2 34 193 G . 15113 2 35 194 A . 15113 2 36 195 C . 15113 2 37 196 G . 15113 2 38 197 A . 15113 2 39 198 U . 15113 2 40 199 G . 15113 2 41 200 A . 15113 2 42 201 C . 15113 2 43 202 C . 15113 2 44 203 C . 15113 2 45 204 U . 15113 2 46 205 A . 15113 2 47 206 G . 15113 2 48 207 U . 15113 2 49 208 A . 15113 2 50 209 G . 15113 2 51 210 A . 15113 2 52 211 G . 15113 2 53 212 G . 15113 2 54 213 G . 15113 2 55 214 G . 15113 2 56 215 G . 15113 2 57 216 C . 15113 2 58 217 U . 15113 2 59 218 G . 15113 2 60 219 C . 15113 2 61 220 G . 15113 2 62 221 G . 15113 2 63 222 C . 15113 2 64 223 U . 15113 2 65 224 U . 15113 2 66 225 A . 15113 2 67 226 G . 15113 2 68 227 G . 15113 2 69 228 A . 15113 2 70 229 G . 15113 2 71 230 G . 15113 2 72 231 G . 15113 2 73 232 C . 15113 2 74 233 A . 15113 2 75 234 G . 15113 2 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 . C 1 1 15113 2 . U 2 2 15113 2 . G 3 3 15113 2 . C 4 4 15113 2 . C 5 5 15113 2 . C 6 6 15113 2 . U 7 7 15113 2 . C 8 8 15113 2 . A 9 9 15113 2 . U 10 10 15113 2 . C 11 11 15113 2 . C 12 12 15113 2 . G 13 13 15113 2 . U 14 14 15113 2 . C 15 15 15113 2 . U 16 16 15113 2 . C 17 17 15113 2 . G 18 18 15113 2 . C 19 19 15113 2 . U 20 20 15113 2 . U 21 21 15113 2 . A 22 22 15113 2 . U 23 23 15113 2 . U 24 24 15113 2 . C 25 25 15113 2 . G 26 26 15113 2 . G 27 27 15113 2 . G 28 28 15113 2 . G 29 29 15113 2 . A 30 30 15113 2 . G 31 31 15113 2 . C 32 32 15113 2 . G 33 33 15113 2 . G 34 34 15113 2 . A 35 35 15113 2 . C 36 36 15113 2 . G 37 37 15113 2 . A 38 38 15113 2 . U 39 39 15113 2 . G 40 40 15113 2 . A 41 41 15113 2 . C 42 42 15113 2 . C 43 43 15113 2 . C 44 44 15113 2 . U 45 45 15113 2 . A 46 46 15113 2 . G 47 47 15113 2 . U 48 48 15113 2 . A 49 49 15113 2 . G 50 50 15113 2 . A 51 51 15113 2 . G 52 52 15113 2 . G 53 53 15113 2 . G 54 54 15113 2 . G 55 55 15113 2 . G 56 56 15113 2 . C 57 57 15113 2 . U 58 58 15113 2 . G 59 59 15113 2 . C 60 60 15113 2 . G 61 61 15113 2 . G 62 62 15113 2 . C 63 63 15113 2 . U 64 64 15113 2 . U 65 65 15113 2 . A 66 66 15113 2 . G 67 67 15113 2 . G 68 68 15113 2 . A 69 69 15113 2 . G 70 70 15113 2 . G 71 71 15113 2 . G 72 72 15113 2 . C 73 73 15113 2 . A 74 74 15113 2 . G 75 75 15113 2 stop_ save_ save_Nucleocapsid_(NC)_Protein _Entity.Sf_category entity _Entity.Sf_framecode Nucleocapsid_(NC)_Protein _Entity.Entry_ID 15113 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name Nucleocapsid_(NC)_Protein _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 ; GRARGLCYTCGSPGHYQAQC PKKRKSGNSRERCQLCNGMG HNAKQCRKRDGNQGQRPGKG L ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Nucleocapsid domain (residues 503-563)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2IHX . "Solution Structure Of The Rous Sarcoma Virus Nucleocapsid Protein:upsi Rna Packaging Signal Complex" . . . . . 100.00 61 100.00 100.00 1.20e-33 . . . . 15113 3 2 no PDB 5A9E . "Cryo-electron Tomography And Subtomogram Averaging Of Rous- Sarcoma-virus Deltambd Virus-like Particles" . . . . . 100.00 495 100.00 100.00 5.53e-34 . . . . 15113 3 3 no EMBL CAA24512 . "polyprotein gag [Rous sarcoma virus]" . . . . . 100.00 701 100.00 100.00 9.90e-34 . . . . 15113 3 4 no GB AAB59932 . "gag-Pr76 polyprotein precursor [Rous sarcoma virus - Prague C]" . . . . . 100.00 701 100.00 100.00 9.90e-34 . . . . 15113 3 5 no GB AAB59933 . "putative gag-pro-Pr180 polyprotein precursor [Rous sarcoma virus - Prague C]" . . . . . 100.00 1472 100.00 100.00 2.83e-36 . . . . 15113 3 6 no GB AAC82560 . "Pr76 polyprotein precursor [Rous sarcoma virus]" . . . . . 100.00 701 100.00 100.00 9.90e-34 . . . . 15113 3 7 no GB AAC82561 . "Pr180 polyprotein precursor [Rous sarcoma virus]" . . . . . 100.00 1603 100.00 100.00 1.55e-36 . . . . 15113 3 8 no GB ABD83647 . "codon usage optimized RSV-gag protein [synthetic construct]" . . . . . 100.00 577 100.00 100.00 5.03e-34 . . . . 15113 3 9 no REF NP_056886 . "Pr180 polyprotein precursor [Rous sarcoma virus]" . . . . . 100.00 1603 100.00 100.00 1.55e-36 . . . . 15113 3 10 no REF NP_056887 . "Pr76 polyprotein precursor [Rous sarcoma virus]" . . . . . 100.00 701 100.00 100.00 9.90e-34 . . . . 15113 3 11 no REF NP_955610 . "p12 NC [Rous sarcoma virus]" . . . . . 100.00 89 100.00 100.00 5.47e-34 . . . . 15113 3 12 no SP P03322 . "RecName: Full=Gag-Pro polyprotein; Contains: RecName: Full=p3; Contains: RecName: Full=Matrix protein p19; Contains: RecName: F" . . . . . 100.00 701 100.00 100.00 9.90e-34 . . . . 15113 3 13 no SP P03354 . "RecName: Full=Gag-Pro-Pol polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecNa" . . . . . 100.00 1603 100.00 100.00 1.55e-36 . . . . 15113 3 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Nucleocapsid (NC) Protein' RCSB_NAME 15113 3 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 15 GLY . 15113 3 2 16 ARG . 15113 3 3 17 ALA . 15113 3 4 18 ARG . 15113 3 5 19 GLY . 15113 3 6 20 LEU . 15113 3 7 21 CYS . 15113 3 8 22 TYR . 15113 3 9 23 THR . 15113 3 10 24 CYS . 15113 3 11 25 GLY . 15113 3 12 26 SER . 15113 3 13 27 PRO . 15113 3 14 28 GLY . 15113 3 15 29 HIS . 15113 3 16 30 TYR . 15113 3 17 31 GLN . 15113 3 18 32 ALA . 15113 3 19 33 GLN . 15113 3 20 34 CYS . 15113 3 21 35 PRO . 15113 3 22 36 LYS . 15113 3 23 37 LYS . 15113 3 24 38 ARG . 15113 3 25 39 LYS . 15113 3 26 40 SER . 15113 3 27 41 GLY . 15113 3 28 42 ASN . 15113 3 29 43 SER . 15113 3 30 44 ARG . 15113 3 31 45 GLU . 15113 3 32 46 ARG . 15113 3 33 47 CYS . 15113 3 34 48 GLN . 15113 3 35 49 LEU . 15113 3 36 50 CYS . 15113 3 37 51 ASN . 15113 3 38 52 GLY . 15113 3 39 53 MET . 15113 3 40 54 GLY . 15113 3 41 55 HIS . 15113 3 42 56 ASN . 15113 3 43 57 ALA . 15113 3 44 58 LYS . 15113 3 45 59 GLN . 15113 3 46 60 CYS . 15113 3 47 61 ARG . 15113 3 48 62 LYS . 15113 3 49 63 ARG . 15113 3 50 64 ASP . 15113 3 51 65 GLY . 15113 3 52 66 ASN . 15113 3 53 67 GLN . 15113 3 54 68 GLY . 15113 3 55 69 GLN . 15113 3 56 70 ARG . 15113 3 57 71 PRO . 15113 3 58 72 GLY . 15113 3 59 73 LYS . 15113 3 60 74 GLY . 15113 3 61 75 LEU . 15113 3 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 15113 3 . ARG 2 2 15113 3 . ALA 3 3 15113 3 . ARG 4 4 15113 3 . GLY 5 5 15113 3 . LEU 6 6 15113 3 . CYS 7 7 15113 3 . TYR 8 8 15113 3 . THR 9 9 15113 3 . CYS 10 10 15113 3 . GLY 11 11 15113 3 . SER 12 12 15113 3 . PRO 13 13 15113 3 . GLY 14 14 15113 3 . HIS 15 15 15113 3 . TYR 16 16 15113 3 . GLN 17 17 15113 3 . ALA 18 18 15113 3 . GLN 19 19 15113 3 . CYS 20 20 15113 3 . PRO 21 21 15113 3 . LYS 22 22 15113 3 . LYS 23 23 15113 3 . ARG 24 24 15113 3 . LYS 25 25 15113 3 . SER 26 26 15113 3 . GLY 27 27 15113 3 . ASN 28 28 15113 3 . SER 29 29 15113 3 . ARG 30 30 15113 3 . GLU 31 31 15113 3 . ARG 32 32 15113 3 . CYS 33 33 15113 3 . GLN 34 34 15113 3 . LEU 35 35 15113 3 . CYS 36 36 15113 3 . ASN 37 37 15113 3 . GLY 38 38 15113 3 . MET 39 39 15113 3 . GLY 40 40 15113 3 . HIS 41 41 15113 3 . ASN 42 42 15113 3 . ALA 43 43 15113 3 . LYS 44 44 15113 3 . GLN 45 45 15113 3 . CYS 46 46 15113 3 . ARG 47 47 15113 3 . LYS 48 48 15113 3 . ARG 49 49 15113 3 . ASP 50 50 15113 3 . GLY 51 51 15113 3 . ASN 52 52 15113 3 . GLN 53 53 15113 3 . GLY 54 54 15113 3 . GLN 55 55 15113 3 . ARG 56 56 15113 3 . PRO 57 57 15113 3 . GLY 58 58 15113 3 . LYS 59 59 15113 3 . GLY 60 60 15113 3 . LEU 61 61 15113 3 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 15113 _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 2 $muPsi_RNA . 11886 virus . 'Rous sarcoma virus' . . . Viruses . Alpharetrovirus 'Rous sarcoma virus' . . . . . . . . . . . . . . . . . . . . . 15113 1 2 3 $Nucleocapsid_(NC)_Protein . 11886 virus . 'Rous sarcoma virus' . . . Viruses . Alpharetrovirus 'Rous sarcoma virus' . . . . . . . . . . . . . . . . . . . . . 15113 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 15113 _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 3 $Nucleocapsid_(NC)_Protein . 'recombinant technology' 'Escherichia coli' bacteria . . . . 'BL21 codon plus (DE3)-RIL' . . . . . . . . . . . . Plasmid . . pGEX-6P-1 . . . . . . 15113 1 2 2 $muPsi_RNA . 'enzymatic semi-synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . . . . . . . . 15113 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15113 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.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 . _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; _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 InChI=1/Zn/q+2 INCHI InChi 1 15113 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15113 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15113 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15113 ZN 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 'zinc(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15113 ZN 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 ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15113 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15113 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM unlabeled nucleocapsid protein, 1.0 mM A-selectively-protonated muPsi RNA, 5 mM Tris-d11-HCl buffer, pH 7.0, 5mM NaCl, 0.1 mM ZnCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'muPsi RNA' 'G, C, U 2H-enriched' . . 2 $muPsi_RNA . . 1.0 . . mM . . . . 15113 1 2 'Nucleocapsid (NC) Protein' 'natural abundance' . . 3 $Nucleocapsid_(NC)_Protein . . 1.0 . . mM . . . . 15113 1 3 Tris-d11-HCl . . . . . . . 5 . . mM . . . . 15113 1 4 NaCL . . . . . . . 5 . . mM . . . . 15113 1 5 ZnCl2 . . . . . . . 0.1 . . mM . . . . 15113 1 6 D2O . . . . . . . 100 . . % . . . . 15113 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15113 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM unlabeled nucleocapsid protein, 1.2 mM G-selectively-protonated muPsi RNA, 5 mM Tris-d11-HCl buffer, pH 7.0, 5mM NaCl, 0.1 mM ZnCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'muPsi RNA' 'A, C, U 2H-enriched' . . 2 $muPsi_RNA . . 1.2 . . mM . . . . 15113 2 2 'Nucleocapsid (NC) Protein' 'natural abundance' . . 3 $Nucleocapsid_(NC)_Protein . . 1.2 . . mM . . . . 15113 2 3 Tris-d11-HCl . . . . . . . 5 . . mM . . . . 15113 2 4 NaCL . . . . . . . 5 . . mM . . . . 15113 2 5 ZnCl2 . . . . . . . 0.1 . . mM . . . . 15113 2 6 D2O . . . . . . . 100 . . % . . . . 15113 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15113 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM unlabeled nucleocapsid protein, 0.8 mM U-selectively-protonated muPsi RNA, 5 mM Tris-d11-HCl buffer, pH 7.0, 5mM NaCl, 0.1 mM ZnCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'muPsi RNA' 'A, G, C 2H-enriched' . . 2 $muPsi_RNA . . 0.8 . . mM . . . . 15113 3 2 'Nucleocapsid (NC) Protein' 'natural abundance' . . 3 $Nucleocapsid_(NC)_Protein . . 0.8 . . mM . . . . 15113 3 3 Tris-d11-HCl . . . . . . . 5 . . mM . . . . 15113 3 4 NaCL . . . . . . . 5 . . mM . . . . 15113 3 5 ZnCl2 . . . . . . . 0.1 . . mM . . . . 15113 3 6 D2O . . . . . . . 100 . . % . . . . 15113 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15113 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM unlabeled nucleocapsid protein, 0.8 mM C-selectively-protonated muPsi RNA, 5 mM Tris-d11-HCl buffer, pH 7.0, 5mM NaCl, 0.1 mM ZnCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'muPsi RNA' 'A, G, U 2H-enriched' . . 2 $muPsi_RNA . . 0.8 . . mM . . . . 15113 4 2 'Nucleocapsid (NC) Protein' 'natural abundance' . . 3 $Nucleocapsid_(NC)_Protein . . 0.8 . . mM . . . . 15113 4 3 Tris-d11-HCl . . . . . . . 5 . . mM . . . . 15113 4 4 NaCL . . . . . . . 5 . . mM . . . . 15113 4 5 ZnCl2 . . . . . . . 0.1 . . mM . . . . 15113 4 6 D2O . . . . . . . 100 . . % . . . . 15113 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15113 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM unlabeled nucleocapsid protein, 1.2 mM unlabeled muPsi RNA, 5 mM Tris-d11-HCl buffer, pH 7.0, 5mM NaCl, 0.1 mM ZnCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'muPsi RNA' 'natural abundance' . . 2 $muPsi_RNA . . 1.2 . . mM . . . . 15113 5 2 'Nucleocapsid (NC) Protein' 'natural abundance' . . 3 $Nucleocapsid_(NC)_Protein . . 1.2 . . mM . . . . 15113 5 3 Tris-d11-HCl . . . . . . . 5 . . mM . . . . 15113 5 4 NaCL . . . . . . . 5 . . mM . . . . 15113 5 5 ZnCl2 . . . . . . . 0.1 . . mM . . . . 15113 5 6 D2O . . . . . . . 100 . . % . . . . 15113 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 15113 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM 15N, 13C-labeled nucleocapsid protein, 1.2 mM unlabeled muPsi RNA, 5 mM Tris-d11-HCl buffer, pH 7.0; 5mM NaCl, 0.1 mM ZnCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'muPsi RNA' 'natural abundance' . . . . . . 1.2 . . mM . . . . 15113 6 2 'Nucleocapsid (NC) Protein' '[U-98% 13C; U-98% 15N]' . . . . . . 1.2 . . mM . . . . 15113 6 3 Tris-d11-HCl . . . . . . . 5 . . mM . . . . 15113 6 4 NaCL . . . . . . . 5 . . mM . . . . 15113 6 5 ZnCl2 . . . . . . . 0.1 . . mM . . . . 15113 6 6 D2O . . . . . . . 100 . . % . . . . 15113 6 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 15113 _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' 0.0053 . M 15113 1 pH 7.0 . pH 15113 1 pressure 1 . atm 15113 1 temperature 308 . K 15113 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15113 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUKER . . 15113 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15113 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15113 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F., Grzesiek. S., Vuister, G.W., Zhu, G., Pfeifer, J., & Bax, A.' . . 15113 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15113 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15113 _Software.ID 3 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A., Blevins, R.A.' . . 15113 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15113 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15113 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P., Mumenthaler, C. & Wuthrich, K.' . . 15113 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15113 4 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 15113 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15113 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15113 _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 DRX . 800 . . . 15113 1 2 spectrometer_2 Bruker DMX . 600 . . . 15113 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 15113 _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 NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15113 1 2 '2D NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15113 1 3 '2D NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15113 1 4 '2D NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15113 1 5 '2D NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15113 1 6 3D_13C-separated_NOESY no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15113 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 15113 _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 external indirect 0.251449530 . . . . . . . . . 15113 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15113 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 15113 _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 NOESY' . . . 15113 1 2 '2D NOESY' . . . 15113 1 3 '2D NOESY' . . . 15113 1 4 '2D NOESY' . . . 15113 1 5 '2D NOESY' . . . 15113 1 6 3D_13C-separated_NOESY . . . 15113 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 . 2 2 1 1 C H1' H 1 5.276 . . 1 . . . . 160 C H1' . 15113 1 2 . 2 2 1 1 C H5 H 1 6.073 . . 1 . . . . 160 C H5 . 15113 1 3 . 2 2 1 1 C H6 H 1 8.052 . . 1 . . . . 160 C H6 . 15113 1 4 . 2 2 2 2 U H1' H 1 5.670 . . 1 . . . . 161 U H1' . 15113 1 5 . 2 2 2 2 U H5 H 1 5.594 . . 1 . . . . 161 U H5 . 15113 1 6 . 2 2 2 2 U H6 H 1 8.042 . . 1 . . . . 161 U H6 . 15113 1 7 . 2 2 3 3 G H1' H 1 5.898 . . 1 . . . . 162 G H1' . 15113 1 8 . 2 2 3 3 G H8 H 1 7.877 . . 1 . . . . 162 G H8 . 15113 1 9 . 2 2 4 4 C H1' H 1 5.567 . . 1 . . . . 163 C H1' . 15113 1 10 . 2 2 4 4 C H5 H 1 5.327 . . 1 . . . . 163 C H5 . 15113 1 11 . 2 2 4 4 C H6 H 1 7.800 . . 1 . . . . 163 C H6 . 15113 1 12 . 2 2 5 5 C H1' H 1 5.582 . . 1 . . . . 164 C H1' . 15113 1 13 . 2 2 5 5 C H3' H 1 4.437 . . 1 . . . . 164 C H3' . 15113 1 14 . 2 2 5 5 C H5 H 1 5.595 . . 1 . . . . 164 C H5 . 15113 1 15 . 2 2 5 5 C H6 H 1 7.826 . . 1 . . . . 164 C H6 . 15113 1 16 . 2 2 6 6 C H1' H 1 5.584 . . 1 . . . . 165 C H1' . 15113 1 17 . 2 2 6 6 C H5 H 1 5.604 . . 1 . . . . 165 C H5 . 15113 1 18 . 2 2 6 6 C H6 H 1 7.889 . . 1 . . . . 165 C H6 . 15113 1 19 . 2 2 7 7 U H1' H 1 5.661 . . 1 . . . . 166 U H1' . 15113 1 20 . 2 2 7 7 U H3' H 1 4.659 . . 1 . . . . 166 U H3' . 15113 1 21 . 2 2 7 7 U H5 H 1 5.506 . . 1 . . . . 166 U H5 . 15113 1 22 . 2 2 7 7 U H6 H 1 8.029 . . 1 . . . . 166 U H6 . 15113 1 23 . 2 2 8 8 C H1' H 1 6.010 . . 1 . . . . 167 C H1' . 15113 1 24 . 2 2 8 8 C H2' H 1 4.326 . . 1 . . . . 167 C H2' . 15113 1 25 . 2 2 8 8 C H3' H 1 4.817 . . 1 . . . . 167 C H3' . 15113 1 26 . 2 2 8 8 C H4' H 1 4.529 . . 1 . . . . 167 C H4' . 15113 1 27 . 2 2 8 8 C H5 H 1 5.792 . . 1 . . . . 167 C H5 . 15113 1 28 . 2 2 8 8 C H6 H 1 7.940 . . 1 . . . . 167 C H6 . 15113 1 29 . 2 2 9 9 A H1' H 1 6.125 . . 1 . . . . 168 A H1' . 15113 1 30 . 2 2 9 9 A H2 H 1 8.044 . . 1 . . . . 168 A H2 . 15113 1 31 . 2 2 9 9 A H2' H 1 4.835 . . 1 . . . . 168 A H2' . 15113 1 32 . 2 2 9 9 A H3' H 1 5.096 . . 1 . . . . 168 A H3' . 15113 1 33 . 2 2 9 9 A H4' H 1 4.719 . . 1 . . . . 168 A H4' . 15113 1 34 . 2 2 9 9 A H5' H 1 4.405 . . 2 . . . . 168 A H5' . 15113 1 35 . 2 2 9 9 A H5'' H 1 4.306 . . 2 . . . . 168 A H5'' . 15113 1 36 . 2 2 9 9 A H8 H 1 8.761 . . 1 . . . . 168 A H8 . 15113 1 37 . 2 2 10 10 U H1' H 1 6.113 . . 1 . . . . 169 U H1' . 15113 1 38 . 2 2 10 10 U H2' H 1 4.585 . . 1 . . . . 169 U H2' . 15113 1 39 . 2 2 10 10 U H3' H 1 4.866 . . 1 . . . . 169 U H3' . 15113 1 40 . 2 2 10 10 U H4' H 1 4.679 . . 1 . . . . 169 U H4' . 15113 1 41 . 2 2 10 10 U H5 H 1 6.073 . . 1 . . . . 169 U H5 . 15113 1 42 . 2 2 10 10 U H5' H 1 4.519 . . 2 . . . . 169 U H5' . 15113 1 43 . 2 2 10 10 U H5'' H 1 4.402 . . 2 . . . . 169 U H5'' . 15113 1 44 . 2 2 10 10 U H6 H 1 8.059 . . 1 . . . . 169 U H6 . 15113 1 45 . 2 2 11 11 C H1' H 1 5.707 . . 1 . . . . 170 C H1' . 15113 1 46 . 2 2 11 11 C H2' H 1 4.578 . . 1 . . . . 170 C H2' . 15113 1 47 . 2 2 11 11 C H3' H 1 4.419 . . 1 . . . . 170 C H3' . 15113 1 48 . 2 2 11 11 C H4' H 1 4.504 . . 1 . . . . 170 C H4' . 15113 1 49 . 2 2 11 11 C H5 H 1 6.077 . . 1 . . . . 170 C H5 . 15113 1 50 . 2 2 11 11 C H6 H 1 8.176 . . 1 . . . . 170 C H6 . 15113 1 51 . 2 2 12 12 C H1' H 1 5.593 . . 1 . . . . 171 C H1' . 15113 1 52 . 2 2 12 12 C H2' H 1 4.579 . . 1 . . . . 171 C H2' . 15113 1 53 . 2 2 12 12 C H3' H 1 4.693 . . 1 . . . . 171 C H3' . 15113 1 54 . 2 2 12 12 C H5 H 1 5.784 . . 1 . . . . 171 C H5 . 15113 1 55 . 2 2 12 12 C H6 H 1 8.012 . . 1 . . . . 171 C H6 . 15113 1 56 . 2 2 13 13 G H1' H 1 5.716 . . 1 . . . . 172 G H1' . 15113 1 57 . 2 2 13 13 G H2' H 1 4.521 . . 1 . . . . 172 G H2' . 15113 1 58 . 2 2 13 13 G H3' H 1 4.606 . . 1 . . . . 172 G H3' . 15113 1 59 . 2 2 13 13 G H4' H 1 4.167 . . 1 . . . . 172 G H4' . 15113 1 60 . 2 2 13 13 G H8 H 1 7.528 . . 1 . . . . 172 G H8 . 15113 1 61 . 2 2 14 14 U H1' H 1 5.641 . . 1 . . . . 173 U H1' . 15113 1 62 . 2 2 14 14 U H2' H 1 4.362 . . 1 . . . . 173 U H2' . 15113 1 63 . 2 2 14 14 U H3' H 1 4.578 . . 1 . . . . 173 U H3' . 15113 1 64 . 2 2 14 14 U H5 H 1 5.169 . . 1 . . . . 173 U H5 . 15113 1 65 . 2 2 14 14 U H6 H 1 7.831 . . 1 . . . . 173 U H6 . 15113 1 66 . 2 2 15 15 C H1' H 1 5.997 . . 1 . . . . 174 C H1' . 15113 1 67 . 2 2 15 15 C H2' H 1 4.433 . . 1 . . . . 174 C H2' . 15113 1 68 . 2 2 15 15 C H3' H 1 4.775 . . 1 . . . . 174 C H3' . 15113 1 69 . 2 2 15 15 C H4' H 1 4.502 . . 1 . . . . 174 C H4' . 15113 1 70 . 2 2 15 15 C H5 H 1 5.463 . . 1 . . . . 174 C H5 . 15113 1 71 . 2 2 15 15 C H6 H 1 7.879 . . 1 . . . . 174 C H6 . 15113 1 72 . 2 2 16 16 U H1' H 1 6.083 . . 1 . . . . 175 U H1' . 15113 1 73 . 2 2 16 16 U H2' H 1 4.522 . . 1 . . . . 175 U H2' . 15113 1 74 . 2 2 16 16 U H3' H 1 4.805 . . 1 . . . . 175 U H3' . 15113 1 75 . 2 2 16 16 U H4' H 1 4.574 . . 1 . . . . 175 U H4' . 15113 1 76 . 2 2 16 16 U H5 H 1 5.994 . . 1 . . . . 175 U H5 . 15113 1 77 . 2 2 16 16 U H5' H 1 4.257 . . 2 . . . . 175 U H5' . 15113 1 78 . 2 2 16 16 U H5'' H 1 4.362 . . 2 . . . . 175 U H5'' . 15113 1 79 . 2 2 16 16 U H6 H 1 7.973 . . 1 . . . . 175 U H6 . 15113 1 80 . 2 2 17 17 C H1' H 1 5.680 . . 1 . . . . 176 C H1' . 15113 1 81 . 2 2 17 17 C H2' H 1 4.671 . . 1 . . . . 176 C H2' . 15113 1 82 . 2 2 17 17 C H3' H 1 4.302 . . 1 . . . . 176 C H3' . 15113 1 83 . 2 2 17 17 C H4' H 1 4.567 . . 1 . . . . 176 C H4' . 15113 1 84 . 2 2 17 17 C H5 H 1 5.736 . . 1 . . . . 176 C H5 . 15113 1 85 . 2 2 17 17 C H5' H 1 4.437 . . 2 . . . . 176 C H5' . 15113 1 86 . 2 2 17 17 C H6 H 1 7.762 . . 1 . . . . 176 C H6 . 15113 1 87 . 2 2 18 18 G H1' H 1 5.867 . . 1 . . . . 177 G H1' . 15113 1 88 . 2 2 18 18 G H2' H 1 4.733 . . 1 . . . . 177 G H2' . 15113 1 89 . 2 2 18 18 G H3' H 1 4.682 . . 1 . . . . 177 G H3' . 15113 1 90 . 2 2 18 18 G H4' H 1 4.603 . . 1 . . . . 177 G H4' . 15113 1 91 . 2 2 18 18 G H8 H 1 7.868 . . 1 . . . . 177 G H8 . 15113 1 92 . 2 2 19 19 C H1' H 1 5.651 . . 1 . . . . 178 C H1' . 15113 1 93 . 2 2 19 19 C H2' H 1 4.525 . . 1 . . . . 178 C H2' . 15113 1 94 . 2 2 19 19 C H3' H 1 4.663 . . 1 . . . . 178 C H3' . 15113 1 95 . 2 2 19 19 C H4' H 1 4.188 . . 1 . . . . 178 C H4' . 15113 1 96 . 2 2 19 19 C H5 H 1 5.319 . . 1 . . . . 178 C H5 . 15113 1 97 . 2 2 19 19 C H6 H 1 7.778 . . 1 . . . . 178 C H6 . 15113 1 98 . 2 2 20 20 U H1' H 1 5.678 . . 1 . . . . 179 U H1' . 15113 1 99 . 2 2 20 20 U H2' H 1 4.673 . . 1 . . . . 179 U H2' . 15113 1 100 . 2 2 20 20 U H3' H 1 4.518 . . 1 . . . . 179 U H3' . 15113 1 101 . 2 2 20 20 U H4' H 1 4.193 . . 1 . . . . 179 U H4' . 15113 1 102 . 2 2 20 20 U H5 H 1 5.487 . . 1 . . . . 179 U H5 . 15113 1 103 . 2 2 20 20 U H6 H 1 7.885 . . 1 . . . . 179 U H6 . 15113 1 104 . 2 2 21 21 U H1' H 1 5.644 . . 1 . . . . 180 U H1' . 15113 1 105 . 2 2 21 21 U H2' H 1 4.657 . . 1 . . . . 180 U H2' . 15113 1 106 . 2 2 21 21 U H3' H 1 4.522 . . 1 . . . . 180 U H3' . 15113 1 107 . 2 2 21 21 U H4' H 1 4.363 . . 1 . . . . 180 U H4' . 15113 1 108 . 2 2 21 21 U H5 H 1 5.869 . . 1 . . . . 180 U H5 . 15113 1 109 . 2 2 21 21 U H6 H 1 7.948 . . 1 . . . . 180 U H6 . 15113 1 110 . 2 2 22 22 A H1' H 1 5.938 . . 1 . . . . 181 A H1' . 15113 1 111 . 2 2 22 22 A H2 H 1 7.664 . . 1 . . . . 181 A H2 . 15113 1 112 . 2 2 22 22 A H2' H 1 4.220 . . 1 . . . . 181 A H2' . 15113 1 113 . 2 2 22 22 A H3' H 1 4.632 . . 1 . . . . 181 A H3' . 15113 1 114 . 2 2 22 22 A H4' H 1 4.554 . . 1 . . . . 181 A H4' . 15113 1 115 . 2 2 22 22 A H5' H 1 4.352 . . 2 . . . . 181 A H5' . 15113 1 116 . 2 2 22 22 A H5'' H 1 4.498 . . 2 . . . . 181 A H5'' . 15113 1 117 . 2 2 22 22 A H8 H 1 8.219 . . 1 . . . . 181 A H8 . 15113 1 118 . 2 2 23 23 U H1' H 1 5.716 . . 1 . . . . 182 U H1' . 15113 1 119 . 2 2 23 23 U H2' H 1 4.285 . . 1 . . . . 182 U H2' . 15113 1 120 . 2 2 23 23 U H3' H 1 4.620 . . 1 . . . . 182 U H3' . 15113 1 121 . 2 2 23 23 U H4' H 1 4.442 . . 1 . . . . 182 U H4' . 15113 1 122 . 2 2 23 23 U H5 H 1 5.586 . . 1 . . . . 182 U H5 . 15113 1 123 . 2 2 23 23 U H5' H 1 4.160 . . 2 . . . . 182 U H5' . 15113 1 124 . 2 2 23 23 U H5'' H 1 4.362 . . 2 . . . . 182 U H5'' . 15113 1 125 . 2 2 23 23 U H6 H 1 7.668 . . 1 . . . . 182 U H6 . 15113 1 126 . 2 2 24 24 U H1' H 1 5.923 . . 1 . . . . 183 U H1' . 15113 1 127 . 2 2 24 24 U H2' H 1 4.425 . . 1 . . . . 183 U H2' . 15113 1 128 . 2 2 24 24 U H3' H 1 4.566 . . 1 . . . . 183 U H3' . 15113 1 129 . 2 2 24 24 U H4' H 1 4.410 . . 1 . . . . 183 U H4' . 15113 1 130 . 2 2 24 24 U H5 H 1 5.857 . . 1 . . . . 183 U H5 . 15113 1 131 . 2 2 24 24 U H5' H 1 4.115 . . 2 . . . . 183 U H5' . 15113 1 132 . 2 2 24 24 U H5'' H 1 4.215 . . 2 . . . . 183 U H5'' . 15113 1 133 . 2 2 24 24 U H6 H 1 7.837 . . 1 . . . . 183 U H6 . 15113 1 134 . 2 2 25 25 C H1' H 1 5.887 . . 1 . . . . 184 C H1' . 15113 1 135 . 2 2 25 25 C H2' H 1 4.292 . . 1 . . . . 184 C H2' . 15113 1 136 . 2 2 25 25 C H3' H 1 4.572 . . 1 . . . . 184 C H3' . 15113 1 137 . 2 2 25 25 C H4' H 1 4.224 . . 1 . . . . 184 C H4' . 15113 1 138 . 2 2 25 25 C H5 H 1 6.023 . . 1 . . . . 184 C H5 . 15113 1 139 . 2 2 25 25 C H5' H 1 3.943 . . 2 . . . . 184 C H5' . 15113 1 140 . 2 2 25 25 C H5'' H 1 4.017 . . 2 . . . . 184 C H5'' . 15113 1 141 . 2 2 25 25 C H6 H 1 7.740 . . 1 . . . . 184 C H6 . 15113 1 142 . 2 2 26 26 G H1' H 1 5.764 . . 1 . . . . 185 G H1' . 15113 1 143 . 2 2 26 26 G H2' H 1 4.775 . . 1 . . . . 185 G H2' . 15113 1 144 . 2 2 26 26 G H3' H 1 4.885 . . 1 . . . . 185 G H3' . 15113 1 145 . 2 2 26 26 G H4' H 1 4.405 . . 1 . . . . 185 G H4' . 15113 1 146 . 2 2 26 26 G H5' H 1 4.120 . . 2 . . . . 185 G H5' . 15113 1 147 . 2 2 26 26 G H5'' H 1 4.187 . . 2 . . . . 185 G H5'' . 15113 1 148 . 2 2 26 26 G H8 H 1 7.919 . . 1 . . . . 185 G H8 . 15113 1 149 . 2 2 27 27 G H1' H 1 5.714 . . 1 . . . . 186 G H1' . 15113 1 150 . 2 2 27 27 G H2' H 1 4.858 . . 1 . . . . 186 G H2' . 15113 1 151 . 2 2 27 27 G H3' H 1 4.886 . . 1 . . . . 186 G H3' . 15113 1 152 . 2 2 27 27 G H4' H 1 4.485 . . 1 . . . . 186 G H4' . 15113 1 153 . 2 2 27 27 G H5' H 1 4.199 . . 2 . . . . 186 G H5' . 15113 1 154 . 2 2 27 27 G H5'' H 1 4.287 . . 2 . . . . 186 G H5'' . 15113 1 155 . 2 2 27 27 G H8 H 1 7.905 . . 1 . . . . 186 G H8 . 15113 1 156 . 2 2 28 28 G H1' H 1 5.978 . . 1 . . . . 187 G H1' . 15113 1 157 . 2 2 28 28 G H2' H 1 4.693 . . 1 . . . . 187 G H2' . 15113 1 158 . 2 2 28 28 G H3' H 1 4.964 . . 1 . . . . 187 G H3' . 15113 1 159 . 2 2 28 28 G H4' H 1 4.483 . . 1 . . . . 187 G H4' . 15113 1 160 . 2 2 28 28 G H5' H 1 4.332 . . 2 . . . . 187 G H5' . 15113 1 161 . 2 2 28 28 G H5'' H 1 4.393 . . 2 . . . . 187 G H5'' . 15113 1 162 . 2 2 28 28 G H8 H 1 8.076 . . 1 . . . . 187 G H8 . 15113 1 163 . 2 2 29 29 G H1' H 1 5.829 . . 1 . . . . 188 G H1' . 15113 1 164 . 2 2 29 29 G H2' H 1 4.881 . . 1 . . . . 188 G H2' . 15113 1 165 . 2 2 29 29 G H3' H 1 4.963 . . 1 . . . . 188 G H3' . 15113 1 166 . 2 2 29 29 G H4' H 1 4.685 . . 1 . . . . 188 G H4' . 15113 1 167 . 2 2 29 29 G H5' H 1 4.350 . . 2 . . . . 188 G H5' . 15113 1 168 . 2 2 29 29 G H8 H 1 8.031 . . 1 . . . . 188 G H8 . 15113 1 169 . 2 2 30 30 A H1' H 1 5.945 . . 1 . . . . 189 A H1' . 15113 1 170 . 2 2 30 30 A H2 H 1 7.636 . . 1 . . . . 189 A H2 . 15113 1 171 . 2 2 30 30 A H2' H 1 4.718 . . 1 . . . . 189 A H2' . 15113 1 172 . 2 2 30 30 A H3' H 1 4.585 . . 1 . . . . 189 A H3' . 15113 1 173 . 2 2 30 30 A H4' H 1 4.249 . . 1 . . . . 189 A H4' . 15113 1 174 . 2 2 30 30 A H8 H 1 7.829 . . 1 . . . . 189 A H8 . 15113 1 175 . 2 2 31 31 G H1' H 1 5.733 . . 1 . . . . 190 G H1' . 15113 1 176 . 2 2 31 31 G H2' H 1 4.513 . . 1 . . . . 190 G H2' . 15113 1 177 . 2 2 31 31 G H3' H 1 4.497 . . 1 . . . . 190 G H3' . 15113 1 178 . 2 2 31 31 G H4' H 1 4.147 . . 1 . . . . 190 G H4' . 15113 1 179 . 2 2 31 31 G H8 H 1 7.256 . . 1 . . . . 190 G H8 . 15113 1 180 . 2 2 32 32 C H1' H 1 5.637 . . 1 . . . . 191 C H1' . 15113 1 181 . 2 2 32 32 C H2' H 1 4.744 . . 1 . . . . 191 C H2' . 15113 1 182 . 2 2 32 32 C H3' H 1 4.513 . . 1 . . . . 191 C H3' . 15113 1 183 . 2 2 32 32 C H4' H 1 4.160 . . 1 . . . . 191 C H4' . 15113 1 184 . 2 2 32 32 C H5 H 1 5.223 . . 1 . . . . 191 C H5 . 15113 1 185 . 2 2 32 32 C H6 H 1 7.564 . . 1 . . . . 191 C H6 . 15113 1 186 . 2 2 33 33 G H1' H 1 6.590 . . 1 . . . . 192 G H1' . 15113 1 187 . 2 2 33 33 G H2' H 1 4.595 . . 1 . . . . 192 G H2' . 15113 1 188 . 2 2 33 33 G H3' H 1 4.481 . . 1 . . . . 192 G H3' . 15113 1 189 . 2 2 33 33 G H4' H 1 4.198 . . 1 . . . . 192 G H4' . 15113 1 190 . 2 2 33 33 G H8 H 1 7.495 . . 1 . . . . 192 G H8 . 15113 1 191 . 2 2 34 34 G H1' H 1 5.731 . . 1 . . . . 193 G H1' . 15113 1 192 . 2 2 34 34 G H2' H 1 4.803 . . 1 . . . . 193 G H2' . 15113 1 193 . 2 2 34 34 G H8 H 1 7.087 . . 1 . . . . 193 G H8 . 15113 1 194 . 2 2 35 35 A H1' H 1 6.070 . . 1 . . . . 194 A H1' . 15113 1 195 . 2 2 35 35 A H2 H 1 7.899 . . 1 . . . . 194 A H2 . 15113 1 196 . 2 2 35 35 A H2' H 1 4.558 . . 1 . . . . 194 A H2' . 15113 1 197 . 2 2 35 35 A H3' H 1 4.779 . . 1 . . . . 194 A H3' . 15113 1 198 . 2 2 35 35 A H4' H 1 4.755 . . 1 . . . . 194 A H4' . 15113 1 199 . 2 2 35 35 A H8 H 1 8.072 . . 1 . . . . 194 A H8 . 15113 1 200 . 2 2 36 36 C H1' H 1 5.434 . . 1 . . . . 195 C H1' . 15113 1 201 . 2 2 36 36 C H5 H 1 5.263 . . 1 . . . . 195 C H5 . 15113 1 202 . 2 2 36 36 C H6 H 1 7.446 . . 1 . . . . 195 C H6 . 15113 1 203 . 2 2 37 37 G H1' H 1 5.873 . . 1 . . . . 196 G H1' . 15113 1 204 . 2 2 37 37 G H2' H 1 4.362 . . 1 . . . . 196 G H2' . 15113 1 205 . 2 2 37 37 G H3' H 1 4.613 . . 1 . . . . 196 G H3' . 15113 1 206 . 2 2 37 37 G H4' H 1 4.180 . . 1 . . . . 196 G H4' . 15113 1 207 . 2 2 37 37 G H8 H 1 7.737 . . 1 . . . . 196 G H8 . 15113 1 208 . 2 2 38 38 A H1' H 1 5.925 . . 1 . . . . 197 A H1' . 15113 1 209 . 2 2 38 38 A H2 H 1 7.964 . . 1 . . . . 197 A H2 . 15113 1 210 . 2 2 38 38 A H2' H 1 4.847 . . 1 . . . . 197 A H2' . 15113 1 211 . 2 2 38 38 A H8 H 1 7.671 . . 1 . . . . 197 A H8 . 15113 1 212 . 2 2 39 39 U H1' H 1 5.606 . . 1 . . . . 198 U H1' . 15113 1 213 . 2 2 39 39 U H2' H 1 3.538 . . 1 . . . . 198 U H2' . 15113 1 214 . 2 2 39 39 U H3' H 1 4.345 . . 1 . . . . 198 U H3' . 15113 1 215 . 2 2 39 39 U H4' H 1 4.219 . . 1 . . . . 198 U H4' . 15113 1 216 . 2 2 39 39 U H5 H 1 6.476 . . 1 . . . . 198 U H5 . 15113 1 217 . 2 2 39 39 U H6 H 1 7.737 . . 1 . . . . 198 U H6 . 15113 1 218 . 2 2 40 40 G H1' H 1 6.238 . . 1 . . . . 199 G H1' . 15113 1 219 . 2 2 40 40 G H2' H 1 4.827 . . 1 . . . . 199 G H2' . 15113 1 220 . 2 2 40 40 G H3' H 1 4.342 . . 1 . . . . 199 G H3' . 15113 1 221 . 2 2 40 40 G H4' H 1 5.106 . . 1 . . . . 199 G H4' . 15113 1 222 . 2 2 40 40 G H5' H 1 4.187 . . 2 . . . . 199 G H5' . 15113 1 223 . 2 2 40 40 G H5'' H 1 4.511 . . 2 . . . . 199 G H5'' . 15113 1 224 . 2 2 40 40 G H8 H 1 7.952 . . 1 . . . . 199 G H8 . 15113 1 225 . 2 2 41 41 A H1' H 1 6.320 . . 1 . . . . 200 A H1' . 15113 1 226 . 2 2 41 41 A H2 H 1 8.548 . . 1 . . . . 200 A H2 . 15113 1 227 . 2 2 41 41 A H2' H 1 5.136 . . 1 . . . . 200 A H2' . 15113 1 228 . 2 2 41 41 A H3' H 1 5.092 . . 1 . . . . 200 A H3' . 15113 1 229 . 2 2 41 41 A H4' H 1 4.229 . . 1 . . . . 200 A H4' . 15113 1 230 . 2 2 41 41 A H5' H 1 4.400 . . 2 . . . . 200 A H5' . 15113 1 231 . 2 2 41 41 A H5'' H 1 4.432 . . 2 . . . . 200 A H5'' . 15113 1 232 . 2 2 41 41 A H8 H 1 8.790 . . 1 . . . . 200 A H8 . 15113 1 233 . 2 2 42 42 C H1' H 1 6.366 . . 1 . . . . 201 C H1' . 15113 1 234 . 2 2 42 42 C H2' H 1 4.724 . . 1 . . . . 201 C H2' . 15113 1 235 . 2 2 42 42 C H3' H 1 4.566 . . 1 . . . . 201 C H3' . 15113 1 236 . 2 2 42 42 C H4' H 1 4.511 . . 1 . . . . 201 C H4' . 15113 1 237 . 2 2 42 42 C H5 H 1 5.787 . . 1 . . . . 201 C H5 . 15113 1 238 . 2 2 42 42 C H6 H 1 8.156 . . 1 . . . . 201 C H6 . 15113 1 239 . 2 2 43 43 C H1' H 1 5.612 . . 1 . . . . 202 C H1' . 15113 1 240 . 2 2 43 43 C H5 H 1 5.595 . . 1 . . . . 202 C H5 . 15113 1 241 . 2 2 43 43 C H6 H 1 7.914 . . 1 . . . . 202 C H6 . 15113 1 242 . 2 2 44 44 C H1' H 1 5.605 . . 1 . . . . 203 C H1' . 15113 1 243 . 2 2 44 44 C H5 H 1 5.597 . . 1 . . . . 203 C H5 . 15113 1 244 . 2 2 44 44 C H6 H 1 7.930 . . 1 . . . . 203 C H6 . 15113 1 245 . 2 2 45 45 U H1' H 1 5.656 . . 1 . . . . 204 U H1' . 15113 1 246 . 2 2 45 45 U H2' H 1 4.360 . . 1 . . . . 204 U H2' . 15113 1 247 . 2 2 45 45 U H3' H 1 4.653 . . 1 . . . . 204 U H3' . 15113 1 248 . 2 2 45 45 U H4' H 1 4.518 . . 1 . . . . 204 U H4' . 15113 1 249 . 2 2 45 45 U H5 H 1 5.472 . . 1 . . . . 204 U H5 . 15113 1 250 . 2 2 45 45 U H5' H 1 4.189 . . 2 . . . . 204 U H5' . 15113 1 251 . 2 2 45 45 U H5'' H 1 4.185 . . 2 . . . . 204 U H5'' . 15113 1 252 . 2 2 45 45 U H6 H 1 7.800 . . 1 . . . . 204 U H6 . 15113 1 253 . 2 2 46 46 A H1' H 1 5.717 . . 1 . . . . 205 A H1' . 15113 1 254 . 2 2 46 46 A H2 H 1 7.977 . . 1 . . . . 205 A H2 . 15113 1 255 . 2 2 46 46 A H2' H 1 4.478 . . 1 . . . . 205 A H2' . 15113 1 256 . 2 2 46 46 A H3' H 1 4.709 . . 1 . . . . 205 A H3' . 15113 1 257 . 2 2 46 46 A H4' H 1 4.186 . . 1 . . . . 205 A H4' . 15113 1 258 . 2 2 46 46 A H5' H 1 4.206 . . 2 . . . . 205 A H5' . 15113 1 259 . 2 2 46 46 A H8 H 1 8.112 . . 1 . . . . 205 A H8 . 15113 1 260 . 2 2 47 47 G H1' H 1 5.434 . . 1 . . . . 206 G H1' . 15113 1 261 . 2 2 47 47 G H2' H 1 4.719 . . 1 . . . . 206 G H2' . 15113 1 262 . 2 2 47 47 G H3' H 1 4.650 . . 1 . . . . 206 G H3' . 15113 1 263 . 2 2 47 47 G H4' H 1 4.194 . . 1 . . . . 206 G H4' . 15113 1 264 . 2 2 47 47 G H5' H 1 4.069 . . 2 . . . . 206 G H5' . 15113 1 265 . 2 2 47 47 G H5'' H 1 4.295 . . 2 . . . . 206 G H5'' . 15113 1 266 . 2 2 47 47 G H8 H 1 7.632 . . 1 . . . . 206 G H8 . 15113 1 267 . 2 2 48 48 U H1' H 1 5.881 . . 1 . . . . 207 U H1' . 15113 1 268 . 2 2 48 48 U H2' H 1 4.292 . . 1 . . . . 207 U H2' . 15113 1 269 . 2 2 48 48 U H3' H 1 4.596 . . 1 . . . . 207 U H3' . 15113 1 270 . 2 2 48 48 U H4' H 1 3.970 . . 1 . . . . 207 U H4' . 15113 1 271 . 2 2 48 48 U H5 H 1 5.868 . . 1 . . . . 207 U H5 . 15113 1 272 . 2 2 48 48 U H5' H 1 3.786 . . 2 . . . . 207 U H5' . 15113 1 273 . 2 2 48 48 U H5'' H 1 3.839 . . 2 . . . . 207 U H5'' . 15113 1 274 . 2 2 48 48 U H6 H 1 7.697 . . 1 . . . . 207 U H6 . 15113 1 275 . 2 2 49 49 A H1' H 1 5.881 . . 1 . . . . 208 A H1' . 15113 1 276 . 2 2 49 49 A H2 H 1 7.329 . . 1 . . . . 208 A H2 . 15113 1 277 . 2 2 49 49 A H2' H 1 4.836 . . 1 . . . . 208 A H2' . 15113 1 278 . 2 2 49 49 A H3' H 1 4.903 . . 1 . . . . 208 A H3' . 15113 1 279 . 2 2 49 49 A H4' H 1 4.479 . . 1 . . . . 208 A H4' . 15113 1 280 . 2 2 49 49 A H5' H 1 4.268 . . 2 . . . . 208 A H5' . 15113 1 281 . 2 2 49 49 A H5'' H 1 4.241 . . 2 . . . . 208 A H5'' . 15113 1 282 . 2 2 49 49 A H8 H 1 8.258 . . 1 . . . . 208 A H8 . 15113 1 283 . 2 2 50 50 G H1' H 1 6.255 . . 1 . . . . 209 G H1' . 15113 1 284 . 2 2 50 50 G H2' H 1 4.980 . . 1 . . . . 209 G H2' . 15113 1 285 . 2 2 50 50 G H3' H 1 4.472 . . 1 . . . . 209 G H3' . 15113 1 286 . 2 2 50 50 G H4' H 1 4.989 . . 1 . . . . 209 G H4' . 15113 1 287 . 2 2 50 50 G H8 H 1 8.062 . . 1 . . . . 209 G H8 . 15113 1 288 . 2 2 51 51 A H1' H 1 6.255 . . 1 . . . . 210 A H1' . 15113 1 289 . 2 2 51 51 A H2 H 1 7.376 . . 1 . . . . 210 A H2 . 15113 1 290 . 2 2 51 51 A H2' H 1 4.705 . . 1 . . . . 210 A H2' . 15113 1 291 . 2 2 51 51 A H3' H 1 4.623 . . 1 . . . . 210 A H3' . 15113 1 292 . 2 2 51 51 A H4' H 1 4.461 . . 1 . . . . 210 A H4' . 15113 1 293 . 2 2 51 51 A H5' H 1 4.341 . . 2 . . . . 210 A H5' . 15113 1 294 . 2 2 51 51 A H5'' H 1 4.282 . . 2 . . . . 210 A H5'' . 15113 1 295 . 2 2 51 51 A H8 H 1 8.254 . . 1 . . . . 210 A H8 . 15113 1 296 . 2 2 52 52 G H1' H 1 5.775 . . 1 . . . . 211 G H1' . 15113 1 297 . 2 2 52 52 G H8 H 1 6.796 . . 1 . . . . 211 G H8 . 15113 1 298 . 2 2 53 53 G H1' H 1 5.881 . . 1 . . . . 212 G H1' . 15113 1 299 . 2 2 53 53 G H8 H 1 7.288 . . 1 . . . . 212 G H8 . 15113 1 300 . 2 2 54 54 G H1' H 1 5.942 . . 1 . . . . 213 G H1' . 15113 1 301 . 2 2 54 54 G H2' H 1 4.810 . . 1 . . . . 213 G H2' . 15113 1 302 . 2 2 54 54 G H3' H 1 4.671 . . 1 . . . . 213 G H3' . 15113 1 303 . 2 2 54 54 G H5' H 1 4.528 . . 2 . . . . 213 G H5' . 15113 1 304 . 2 2 54 54 G H5'' H 1 4.596 . . 2 . . . . 213 G H5'' . 15113 1 305 . 2 2 54 54 G H8 H 1 7.176 . . 1 . . . . 213 G H8 . 15113 1 306 . 2 2 55 55 G H1' H 1 5.867 . . 1 . . . . 214 G H1' . 15113 1 307 . 2 2 55 55 G H2' H 1 4.720 . . 1 . . . . 214 G H2' . 15113 1 308 . 2 2 55 55 G H3' H 1 4.799 . . 1 . . . . 214 G H3' . 15113 1 309 . 2 2 55 55 G H4' H 1 4.464 . . 1 . . . . 214 G H4' . 15113 1 310 . 2 2 55 55 G H5' H 1 4.167 . . 1 . . . . 214 G H5' . 15113 1 311 . 2 2 55 55 G H8 H 1 7.125 . . 1 . . . . 214 G H8 . 15113 1 312 . 2 2 56 56 G H1' H 1 5.852 . . 1 . . . . 215 G H1' . 15113 1 313 . 2 2 56 56 G H2' H 1 4.801 . . 1 . . . . 215 G H2' . 15113 1 314 . 2 2 56 56 G H8 H 1 7.287 . . 1 . . . . 215 G H8 . 15113 1 315 . 2 2 57 57 C H1' H 1 5.569 . . 1 . . . . 216 C H1' . 15113 1 316 . 2 2 57 57 C H2' H 1 4.513 . . 1 . . . . 216 C H2' . 15113 1 317 . 2 2 57 57 C H3' H 1 4.358 . . 1 . . . . 216 C H3' . 15113 1 318 . 2 2 57 57 C H5 H 1 5.300 . . 1 . . . . 216 C H5 . 15113 1 319 . 2 2 57 57 C H6 H 1 7.465 . . 1 . . . . 216 C H6 . 15113 1 320 . 2 2 58 58 U H1' H 1 5.841 . . 1 . . . . 217 U H1' . 15113 1 321 . 2 2 58 58 U H2' H 1 4.006 . . 1 . . . . 217 U H2' . 15113 1 322 . 2 2 58 58 U H3' H 1 4.793 . . 1 . . . . 217 U H3' . 15113 1 323 . 2 2 58 58 U H4' H 1 4.797 . . 1 . . . . 217 U H4' . 15113 1 324 . 2 2 58 58 U H5 H 1 5.843 . . 1 . . . . 217 U H5 . 15113 1 325 . 2 2 58 58 U H6 H 1 7.976 . . 1 . . . . 217 U H6 . 15113 1 326 . 2 2 59 59 G H1' H 1 5.857 . . 1 . . . . 218 G H1' . 15113 1 327 . 2 2 59 59 G H2' H 1 5.226 . . 1 . . . . 218 G H2' . 15113 1 328 . 2 2 59 59 G H3' H 1 4.180 . . 1 . . . . 218 G H3' . 15113 1 329 . 2 2 59 59 G H4' H 1 4.648 . . 1 . . . . 218 G H4' . 15113 1 330 . 2 2 59 59 G H5' H 1 4.301 . . 1 . . . . 218 G H5' . 15113 1 331 . 2 2 59 59 G H8 H 1 8.356 . . 1 . . . . 218 G H8 . 15113 1 332 . 2 2 60 60 C H1' H 1 6.095 . . 1 . . . . 219 C H1' . 15113 1 333 . 2 2 60 60 C H2' H 1 4.239 . . 1 . . . . 219 C H2' . 15113 1 334 . 2 2 60 60 C H3' H 1 4.629 . . 1 . . . . 219 C H3' . 15113 1 335 . 2 2 60 60 C H4' H 1 3.849 . . 1 . . . . 219 C H4' . 15113 1 336 . 2 2 60 60 C H5 H 1 6.265 . . 1 . . . . 219 C H5 . 15113 1 337 . 2 2 60 60 C H5' H 1 2.856 . . 1 . . . . 219 C H5' . 15113 1 338 . 2 2 60 60 C H5'' H 1 3.739 . . 1 . . . . 219 C H5'' . 15113 1 339 . 2 2 60 60 C H6 H 1 7.866 . . 1 . . . . 219 C H6 . 15113 1 340 . 2 2 61 61 G H1' H 1 6.073 . . 1 . . . . 220 G H1' . 15113 1 341 . 2 2 61 61 G H2' H 1 4.896 . . 1 . . . . 220 G H2' . 15113 1 342 . 2 2 61 61 G H3' H 1 5.775 . . 1 . . . . 220 G H3' . 15113 1 343 . 2 2 61 61 G H8 H 1 8.038 . . 1 . . . . 220 G H8 . 15113 1 344 . 2 2 62 62 G H1' H 1 4.904 . . 1 . . . . 221 G H1' . 15113 1 345 . 2 2 62 62 G H2' H 1 4.284 . . 1 . . . . 221 G H2' . 15113 1 346 . 2 2 62 62 G H3' H 1 4.315 . . 1 . . . . 221 G H3' . 15113 1 347 . 2 2 62 62 G H4' H 1 4.439 . . 1 . . . . 221 G H4' . 15113 1 348 . 2 2 62 62 G H5' H 1 4.511 . . 1 . . . . 221 G H5' . 15113 1 349 . 2 2 62 62 G H5'' H 1 4.578 . . 1 . . . . 221 G H5'' . 15113 1 350 . 2 2 62 62 G H8 H 1 8.457 . . 1 . . . . 221 G H8 . 15113 1 351 . 2 2 63 63 C H1' H 1 5.567 . . 1 . . . . 222 C H1' . 15113 1 352 . 2 2 63 63 C H5 H 1 5.301 . . 1 . . . . 222 C H5 . 15113 1 353 . 2 2 63 63 C H6 H 1 7.667 . . 1 . . . . 222 C H6 . 15113 1 354 . 2 2 64 64 U H1' H 1 5.791 . . 1 . . . . 223 U H1' . 15113 1 355 . 2 2 64 64 U H2' H 1 4.465 . . 1 . . . . 223 U H2' . 15113 1 356 . 2 2 64 64 U H3' H 1 4.709 . . 1 . . . . 223 U H3' . 15113 1 357 . 2 2 64 64 U H4' H 1 4.105 . . 1 . . . . 223 U H4' . 15113 1 358 . 2 2 64 64 U H5 H 1 5.813 . . 1 . . . . 223 U H5 . 15113 1 359 . 2 2 64 64 U H6 H 1 7.935 . . 1 . . . . 223 U H6 . 15113 1 360 . 2 2 65 65 U H1' H 1 6.001 . . 1 . . . . 224 U H1' . 15113 1 361 . 2 2 65 65 U H2' H 1 4.364 . . 1 . . . . 224 U H2' . 15113 1 362 . 2 2 65 65 U H3' H 1 4.606 . . 1 . . . . 224 U H3' . 15113 1 363 . 2 2 65 65 U H4' H 1 4.523 . . 1 . . . . 224 U H4' . 15113 1 364 . 2 2 65 65 U H5 H 1 6.059 . . 1 . . . . 224 U H5 . 15113 1 365 . 2 2 65 65 U H5' H 1 4.112 . . 1 . . . . 224 U H5' . 15113 1 366 . 2 2 65 65 U H5'' H 1 4.187 . . 1 . . . . 224 U H5'' . 15113 1 367 . 2 2 65 65 U H6 H 1 7.915 . . 1 . . . . 224 U H6 . 15113 1 368 . 2 2 66 66 A H1' H 1 6.088 . . 1 . . . . 225 A H1' . 15113 1 369 . 2 2 66 66 A H2 H 1 8.243 . . 1 . . . . 225 A H2 . 15113 1 370 . 2 2 66 66 A H2' H 1 4.662 . . 1 . . . . 225 A H2' . 15113 1 371 . 2 2 66 66 A H3' H 1 4.906 . . 1 . . . . 225 A H3' . 15113 1 372 . 2 2 66 66 A H4' H 1 4.724 . . 1 . . . . 225 A H4' . 15113 1 373 . 2 2 66 66 A H5' H 1 4.227 . . 2 . . . . 225 A H5' . 15113 1 374 . 2 2 66 66 A H5'' H 1 4.245 . . 2 . . . . 225 A H5'' . 15113 1 375 . 2 2 66 66 A H8 H 1 8.437 . . 1 . . . . 225 A H8 . 15113 1 376 . 2 2 67 67 G H1' H 1 5.792 . . 1 . . . . 226 G H1' . 15113 1 377 . 2 2 67 67 G H8 H 1 8.071 . . 1 . . . . 226 G H8 . 15113 1 378 . 2 2 68 68 G H1' H 1 5.807 . . 1 . . . . 227 G H1' . 15113 1 379 . 2 2 68 68 G H2' H 1 4.902 . . 1 . . . . 227 G H2' . 15113 1 380 . 2 2 68 68 G H3' H 1 5.002 . . 1 . . . . 227 G H3' . 15113 1 381 . 2 2 68 68 G H4' H 1 4.754 . . 1 . . . . 227 G H4' . 15113 1 382 . 2 2 68 68 G H8 H 1 8.068 . . 1 . . . . 227 G H8 . 15113 1 383 . 2 2 69 69 A H1' H 1 6.206 . . 1 . . . . 228 A H1' . 15113 1 384 . 2 2 69 69 A H2 H 1 7.702 . . 1 . . . . 228 A H2 . 15113 1 385 . 2 2 69 69 A H2' H 1 4.824 . . 1 . . . . 228 A H2' . 15113 1 386 . 2 2 69 69 A H3' H 1 4.812 . . 1 . . . . 228 A H3' . 15113 1 387 . 2 2 69 69 A H4' H 1 4.659 . . 1 . . . . 228 A H4' . 15113 1 388 . 2 2 69 69 A H5'' H 1 4.417 . . 2 . . . . 228 A H5'' . 15113 1 389 . 2 2 69 69 A H8 H 1 8.120 . . 1 . . . . 228 A H8 . 15113 1 390 . 2 2 70 70 G H1' H 1 5.797 . . 1 . . . . 229 G H1' . 15113 1 391 . 2 2 70 70 G H2' H 1 4.643 . . 1 . . . . 229 G H2' . 15113 1 392 . 2 2 70 70 G H3' H 1 4.576 . . 1 . . . . 229 G H3' . 15113 1 393 . 2 2 70 70 G H4' H 1 4.198 . . 1 . . . . 229 G H4' . 15113 1 394 . 2 2 70 70 G H8 H 1 7.246 . . 1 . . . . 229 G H8 . 15113 1 395 . 2 2 71 71 G H1' H 1 5.849 . . 1 . . . . 230 G H1' . 15113 1 396 . 2 2 71 71 G H8 H 1 7.231 . . 1 . . . . 230 G H8 . 15113 1 397 . 2 2 72 72 G H1' H 1 5.596 . . 1 . . . . 231 G H1' . 15113 1 398 . 2 2 72 72 G H8 H 1 7.295 . . 1 . . . . 231 G H8 . 15113 1 399 . 2 2 73 73 C H1' H 1 5.596 . . 1 . . . . 232 C H1' . 15113 1 400 . 2 2 73 73 C H5 H 1 5.320 . . 1 . . . . 232 C H5 . 15113 1 401 . 2 2 73 73 C H6 H 1 7.697 . . 1 . . . . 232 C H6 . 15113 1 402 . 2 2 74 74 A H1' H 1 5.981 . . 1 . . . . 233 A H1' . 15113 1 403 . 2 2 74 74 A H2 H 1 7.145 . . 1 . . . . 233 A H2 . 15113 1 404 . 2 2 74 74 A H2' H 1 4.705 . . 1 . . . . 233 A H2' . 15113 1 405 . 2 2 74 74 A H3' H 1 4.602 . . 1 . . . . 233 A H3' . 15113 1 406 . 2 2 74 74 A H4' H 1 4.248 . . 1 . . . . 233 A H4' . 15113 1 407 . 2 2 74 74 A H5' H 1 4.369 . . 1 . . . . 233 A H5' . 15113 1 408 . 2 2 74 74 A H8 H 1 8.062 . . 1 . . . . 233 A H8 . 15113 1 409 . 2 2 75 75 G H1' H 1 5.763 . . 1 . . . . 234 G H1' . 15113 1 410 . 2 2 75 75 G H8 H 1 7.359 . . 1 . . . . 234 G H8 . 15113 1 411 . 3 3 2 2 ARG HA H 1 4.526 . . 1 . . . . 16 ARG HA . 15113 1 412 . 3 3 2 2 ARG HB2 H 1 1.998 . . 2 . . . . 16 ARG HB2 . 15113 1 413 . 3 3 2 2 ARG HB3 H 1 1.864 . . 2 . . . . 16 ARG HB3 . 15113 1 414 . 3 3 2 2 ARG HD2 H 1 3.125 . . 2 . . . . 16 ARG HD2 . 15113 1 415 . 3 3 2 2 ARG HD3 H 1 3.189 . . 2 . . . . 16 ARG HD3 . 15113 1 416 . 3 3 2 2 ARG HG2 H 1 1.709 . . 2 . . . . 16 ARG HG2 . 15113 1 417 . 3 3 2 2 ARG HG3 H 1 1.779 . . 2 . . . . 16 ARG HG3 . 15113 1 418 . 3 3 2 2 ARG CA C 13 53.829 . . 1 . . . . 16 ARG CA . 15113 1 419 . 3 3 2 2 ARG CB C 13 29.218 . . 1 . . . . 16 ARG CB . 15113 1 420 . 3 3 2 2 ARG CD C 13 40.938 . . 1 . . . . 16 ARG CD . 15113 1 421 . 3 3 2 2 ARG CG C 13 24.767 . . 1 . . . . 16 ARG CG . 15113 1 422 . 3 3 3 3 ALA HA H 1 4.423 . . 1 . . . . 17 ALA HA . 15113 1 423 . 3 3 3 3 ALA HB1 H 1 1.442 . . 1 . . . . 17 ALA HB . 15113 1 424 . 3 3 3 3 ALA HB2 H 1 1.442 . . 1 . . . . 17 ALA HB . 15113 1 425 . 3 3 3 3 ALA HB3 H 1 1.442 . . 1 . . . . 17 ALA HB . 15113 1 426 . 3 3 3 3 ALA CA C 13 50.079 . . 1 . . . . 17 ALA CA . 15113 1 427 . 3 3 3 3 ALA CB C 13 17.032 . . 1 . . . . 17 ALA CB . 15113 1 428 . 3 3 5 5 GLY HA2 H 1 4.326 . . 2 . . . . 19 GLY HA2 . 15113 1 429 . 3 3 5 5 GLY HA3 H 1 4.009 . . 2 . . . . 19 GLY HA3 . 15113 1 430 . 3 3 5 5 GLY CA C 13 42.344 . . 1 . . . . 19 GLY CA . 15113 1 431 . 3 3 6 6 LEU HA H 1 4.671 . . 1 . . . . 20 LEU HA . 15113 1 432 . 3 3 6 6 LEU HB2 H 1 1.220 . . 2 . . . . 20 LEU HB2 . 15113 1 433 . 3 3 6 6 LEU HB3 H 1 1.220 . . 2 . . . . 20 LEU HB3 . 15113 1 434 . 3 3 6 6 LEU HD11 H 1 1.954 . . 2 . . . . 20 LEU HD1 . 15113 1 435 . 3 3 6 6 LEU HD12 H 1 1.954 . . 2 . . . . 20 LEU HD1 . 15113 1 436 . 3 3 6 6 LEU HD13 H 1 1.954 . . 2 . . . . 20 LEU HD1 . 15113 1 437 . 3 3 6 6 LEU HD21 H 1 0.859 . . 2 . . . . 20 LEU HD2 . 15113 1 438 . 3 3 6 6 LEU HD22 H 1 0.859 . . 2 . . . . 20 LEU HD2 . 15113 1 439 . 3 3 6 6 LEU HD23 H 1 0.859 . . 2 . . . . 20 LEU HD2 . 15113 1 440 . 3 3 6 6 LEU HG H 1 1.769 . . 1 . . . . 20 LEU HG . 15113 1 441 . 3 3 6 6 LEU CA C 13 51.017 . . 1 . . . . 20 LEU CA . 15113 1 442 . 3 3 6 6 LEU CB C 13 40.938 . . 1 . . . . 20 LEU CB . 15113 1 443 . 3 3 6 6 LEU CD1 C 13 22.657 . . 1 . . . . 20 LEU CD1 . 15113 1 444 . 3 3 6 6 LEU CD2 C 13 19.608 . . 1 . . . . 20 LEU CD2 . 15113 1 445 . 3 3 6 6 LEU CG C 13 25.533 . . 1 . . . . 20 LEU CG . 15113 1 446 . 3 3 7 7 CYS HA H 1 4.984 . . 1 . . . . 21 CYS HA . 15113 1 447 . 3 3 7 7 CYS HB2 H 1 3.052 . . 1 . . . . 21 CYS HB2 . 15113 1 448 . 3 3 7 7 CYS HB3 H 1 2.770 . . 1 . . . . 21 CYS HB3 . 15113 1 449 . 3 3 7 7 CYS CA C 13 57.577 . . 1 . . . . 21 CYS CA . 15113 1 450 . 3 3 7 7 CYS CB C 13 30.390 . . 1 . . . . 21 CYS CB . 15113 1 451 . 3 3 8 8 TYR HA H 1 4.907 . . 1 . . . . 22 TYR HA . 15113 1 452 . 3 3 8 8 TYR HB2 H 1 3.375 . . 2 . . . . 22 TYR HB2 . 15113 1 453 . 3 3 8 8 TYR HB3 H 1 3.909 . . 2 . . . . 22 TYR HB3 . 15113 1 454 . 3 3 8 8 TYR HD1 H 1 7.013 . . 1 . . . . 22 TYR HD1 . 15113 1 455 . 3 3 8 8 TYR HE1 H 1 6.450 . . 1 . . . . 22 TYR HE1 . 15113 1 456 . 3 3 8 8 TYR CA C 13 55.507 . . 1 . . . . 22 TYR CA . 15113 1 457 . 3 3 8 8 TYR CB C 13 35.781 . . 1 . . . . 22 TYR CB . 15113 1 458 . 3 3 8 8 TYR CD1 C 13 128.828 . . 1 . . . . 22 TYR CD1 . 15113 1 459 . 3 3 8 8 TYR CE1 C 13 115.467 . . 1 . . . . 22 TYR CE1 . 15113 1 460 . 3 3 9 9 THR HA H 1 4.530 . . 1 . . . . 23 THR HA . 15113 1 461 . 3 3 9 9 THR HB H 1 4.762 . . 1 . . . . 23 THR HB . 15113 1 462 . 3 3 9 9 THR HG21 H 1 1.347 . . 1 . . . . 23 THR HG2 . 15113 1 463 . 3 3 9 9 THR HG22 H 1 1.347 . . 1 . . . . 23 THR HG2 . 15113 1 464 . 3 3 9 9 THR HG23 H 1 1.347 . . 1 . . . . 23 THR HG2 . 15113 1 465 . 3 3 9 9 THR CA C 13 63.802 . . 1 . . . . 23 THR CA . 15113 1 466 . 3 3 9 9 THR CB C 13 66.953 . . 1 . . . . 23 THR CB . 15113 1 467 . 3 3 9 9 THR CG2 C 13 21.017 . . 1 . . . . 23 THR CG2 . 15113 1 468 . 3 3 10 10 CYS HA H 1 5.227 . . 1 . . . . 24 CYS HA . 15113 1 469 . 3 3 10 10 CYS HB2 H 1 3.523 . . 1 . . . . 24 CYS HB2 . 15113 1 470 . 3 3 10 10 CYS HB3 H 1 2.645 . . 1 . . . . 24 CYS HB3 . 15113 1 471 . 3 3 10 10 CYS CA C 13 56.639 . . 1 . . . . 24 CYS CA . 15113 1 472 . 3 3 10 10 CYS CB C 13 30.855 . . 1 . . . . 24 CYS CB . 15113 1 473 . 3 3 12 12 SER HA H 1 4.917 . . 1 . . . . 26 SER HA . 15113 1 474 . 3 3 12 12 SER HB2 H 1 4.114 . . 1 . . . . 26 SER HB2 . 15113 1 475 . 3 3 12 12 SER HB3 H 1 3.515 . . 1 . . . . 26 SER HB3 . 15113 1 476 . 3 3 12 12 SER CA C 13 54.532 . . 1 . . . . 26 SER CA . 15113 1 477 . 3 3 12 12 SER CB C 13 62.734 . . 1 . . . . 26 SER CB . 15113 1 478 . 3 3 13 13 PRO HA H 1 4.963 . . 1 . . . . 27 PRO HA . 15113 1 479 . 3 3 13 13 PRO HB2 H 1 2.201 . . 2 . . . . 27 PRO HB2 . 15113 1 480 . 3 3 13 13 PRO HB3 H 1 2.136 . . 2 . . . . 27 PRO HB3 . 15113 1 481 . 3 3 13 13 PRO HD2 H 1 4.104 . . 2 . . . . 27 PRO HD2 . 15113 1 482 . 3 3 13 13 PRO HD3 H 1 3.962 . . 2 . . . . 27 PRO HD3 . 15113 1 483 . 3 3 13 13 PRO HG2 H 1 2.025 . . 2 . . . . 27 PRO HG2 . 15113 1 484 . 3 3 13 13 PRO HG3 H 1 2.025 . . 2 . . . . 27 PRO HG3 . 15113 1 485 . 3 3 13 13 PRO CA C 13 60.858 . . 1 . . . . 27 PRO CA . 15113 1 486 . 3 3 13 13 PRO CB C 13 29.686 . . 1 . . . . 27 PRO CB . 15113 1 487 . 3 3 13 13 PRO CD C 13 48.438 . . 1 . . . . 27 PRO CD . 15113 1 488 . 3 3 13 13 PRO CG C 13 24.298 . . 1 . . . . 27 PRO CG . 15113 1 489 . 3 3 14 14 GLY HA2 H 1 4.320 . . 2 . . . . 28 GLY HA2 . 15113 1 490 . 3 3 14 14 GLY HA3 H 1 4.010 . . 2 . . . . 28 GLY HA3 . 15113 1 491 . 3 3 15 15 HIS HA H 1 5.352 . . 1 . . . . 29 HIS HA . 15113 1 492 . 3 3 15 15 HIS HD2 H 1 7.870 . . 1 . . . . 29 HIS HD2 . 15113 1 493 . 3 3 15 15 HIS HE1 H 1 7.335 . . 1 . . . . 29 HIS HE1 . 15113 1 494 . 3 3 15 15 HIS CA C 13 49.610 . . 1 . . . . 29 HIS CA . 15113 1 495 . 3 3 15 15 HIS CD2 C 13 135.860 . . 1 . . . . 29 HIS CD2 . 15113 1 496 . 3 3 16 16 TYR HA H 1 4.623 . . 1 . . . . 30 TYR HA . 15113 1 497 . 3 3 16 16 TYR HB2 H 1 3.492 . . 2 . . . . 30 TYR HB2 . 15113 1 498 . 3 3 16 16 TYR HB3 H 1 2.997 . . 2 . . . . 30 TYR HB3 . 15113 1 499 . 3 3 16 16 TYR HD1 H 1 6.652 . . 1 . . . . 30 TYR HD1 . 15113 1 500 . 3 3 16 16 TYR HE1 H 1 6.826 . . 1 . . . . 30 TYR HE1 . 15113 1 501 . 3 3 16 16 TYR CA C 13 58.849 . . 1 . . . . 30 TYR CA . 15113 1 502 . 3 3 16 16 TYR CB C 13 38.125 . . 1 . . . . 30 TYR CB . 15113 1 503 . 3 3 16 16 TYR CD1 C 13 126.953 . . 1 . . . . 30 TYR CD1 . 15113 1 504 . 3 3 16 16 TYR CE1 C 13 115.467 . . 1 . . . . 30 TYR CE1 . 15113 1 505 . 3 3 17 17 GLN HA H 1 4.511 . . 1 . . . . 31 GLN HA . 15113 1 506 . 3 3 17 17 GLN HB2 H 1 2.645 . . 2 . . . . 31 GLN HB2 . 15113 1 507 . 3 3 17 17 GLN HB3 H 1 2.549 . . 2 . . . . 31 GLN HB3 . 15113 1 508 . 3 3 17 17 GLN HG2 H 1 3.072 . . 2 . . . . 31 GLN HG2 . 15113 1 509 . 3 3 17 17 GLN HG3 H 1 2.773 . . 2 . . . . 31 GLN HG3 . 15113 1 510 . 3 3 17 17 GLN CA C 13 57.317 . . 1 . . . . 31 GLN CA . 15113 1 511 . 3 3 17 17 GLN CB C 13 26.405 . . 1 . . . . 31 GLN CB . 15113 1 512 . 3 3 17 17 GLN CG C 13 30.390 . . 1 . . . . 31 GLN CG . 15113 1 513 . 3 3 18 18 ALA HA H 1 4.397 . . 1 . . . . 32 ALA HA . 15113 1 514 . 3 3 18 18 ALA HB1 H 1 1.662 . . 1 . . . . 32 ALA HB . 15113 1 515 . 3 3 18 18 ALA HB2 H 1 1.662 . . 1 . . . . 32 ALA HB . 15113 1 516 . 3 3 18 18 ALA HB3 H 1 1.662 . . 1 . . . . 32 ALA HB . 15113 1 517 . 3 3 18 18 ALA CA C 13 52.423 . . 1 . . . . 32 ALA CA . 15113 1 518 . 3 3 18 18 ALA CB C 13 16.563 . . 1 . . . . 32 ALA CB . 15113 1 519 . 3 3 19 19 GLN HA H 1 4.631 . . 1 . . . . 33 GLN HA . 15113 1 520 . 3 3 19 19 GLN HG2 H 1 2.541 . . 2 . . . . 33 GLN HG2 . 15113 1 521 . 3 3 19 19 GLN HG3 H 1 2.385 . . 2 . . . . 33 GLN HG3 . 15113 1 522 . 3 3 19 19 GLN CA C 13 52.189 . . 1 . . . . 33 GLN CA . 15113 1 523 . 3 3 19 19 GLN CG C 13 32.265 . . 1 . . . . 33 GLN CG . 15113 1 524 . 3 3 20 20 CYS HA H 1 4.556 . . 1 . . . . 34 CYS HA . 15113 1 525 . 3 3 20 20 CYS HB2 H 1 2.581 . . 1 . . . . 34 CYS HB2 . 15113 1 526 . 3 3 20 20 CYS HB3 H 1 2.436 . . 1 . . . . 34 CYS HB3 . 15113 1 527 . 3 3 20 20 CYS CA C 13 62.499 . . 1 . . . . 34 CYS CA . 15113 1 528 . 3 3 20 20 CYS CB C 13 27.000 . . 1 . . . . 34 CYS CB . 15113 1 529 . 3 3 22 22 LYS HA H 1 4.367 . . 1 . . . . 36 LYS HA . 15113 1 530 . 3 3 22 22 LYS HB2 H 1 2.109 . . 2 . . . . 36 LYS HB2 . 15113 1 531 . 3 3 22 22 LYS HB3 H 1 1.987 . . 2 . . . . 36 LYS HB3 . 15113 1 532 . 3 3 22 22 LYS HD2 H 1 1.859 . . 2 . . . . 36 LYS HD2 . 15113 1 533 . 3 3 22 22 LYS HD3 H 1 1.838 . . 2 . . . . 36 LYS HD3 . 15113 1 534 . 3 3 22 22 LYS HE2 H 1 3.164 . . 2 . . . . 36 LYS HE2 . 15113 1 535 . 3 3 22 22 LYS HE3 H 1 3.164 . . 2 . . . . 36 LYS HE3 . 15113 1 536 . 3 3 22 22 LYS HG2 H 1 1.628 . . 2 . . . . 36 LYS HG2 . 15113 1 537 . 3 3 22 22 LYS HG3 H 1 1.584 . . 2 . . . . 36 LYS HG3 . 15113 1 538 . 3 3 22 22 LYS CA C 13 55.060 . . 1 . . . . 36 LYS CA . 15113 1 539 . 3 3 22 22 LYS CB C 13 29.970 . . 1 . . . . 36 LYS CB . 15113 1 540 . 3 3 22 22 LYS CD C 13 52.639 . . 1 . . . . 36 LYS CD . 15113 1 541 . 3 3 22 22 LYS CE C 13 39.625 . . 1 . . . . 36 LYS CE . 15113 1 542 . 3 3 22 22 LYS CG C 13 22.892 . . 1 . . . . 36 LYS CG . 15113 1 543 . 3 3 23 23 LYS HA H 1 4.406 . . 1 . . . . 37 LYS HA . 15113 1 544 . 3 3 23 23 LYS HB2 H 1 2.242 . . 2 . . . . 37 LYS HB2 . 15113 1 545 . 3 3 23 23 LYS HB3 H 1 2.110 . . 2 . . . . 37 LYS HB3 . 15113 1 546 . 3 3 23 23 LYS HD2 H 1 1.837 . . 2 . . . . 37 LYS HD2 . 15113 1 547 . 3 3 23 23 LYS HD3 H 1 1.837 . . 2 . . . . 37 LYS HD3 . 15113 1 548 . 3 3 23 23 LYS HE2 H 1 3.215 . . 2 . . . . 37 LYS HE2 . 15113 1 549 . 3 3 23 23 LYS HE3 H 1 3.215 . . 2 . . . . 37 LYS HE3 . 15113 1 550 . 3 3 23 23 LYS HG2 H 1 1.710 . . 2 . . . . 37 LYS HG2 . 15113 1 551 . 3 3 23 23 LYS HG3 H 1 1.710 . . 2 . . . . 37 LYS HG3 . 15113 1 552 . 3 3 23 23 LYS CA C 13 55.467 . . 1 . . . . 37 LYS CA . 15113 1 553 . 3 3 23 23 LYS CB C 13 29.452 . . 1 . . . . 37 LYS CB . 15113 1 554 . 3 3 23 23 LYS CD C 13 26.639 . . 1 . . . . 37 LYS CD . 15113 1 555 . 3 3 23 23 LYS CE C 13 39.766 . . 1 . . . . 37 LYS CE . 15113 1 556 . 3 3 23 23 LYS CG C 13 24.610 . . 1 . . . . 37 LYS CG . 15113 1 557 . 3 3 33 33 CYS HA H 1 3.695 . . 1 . . . . 47 CYS HA . 15113 1 558 . 3 3 33 33 CYS HB2 H 1 2.468 . . 1 . . . . 47 CYS HB2 . 15113 1 559 . 3 3 33 33 CYS HB3 H 1 2.468 . . 1 . . . . 47 CYS HB3 . 15113 1 560 . 3 3 33 33 CYS CA C 13 57.811 . . 1 . . . . 47 CYS CA . 15113 1 561 . 3 3 33 33 CYS CB C 13 27.108 . . 1 . . . . 47 CYS CB . 15113 1 562 . 3 3 34 34 GLN HA H 1 4.085 . . 1 . . . . 48 GLN HA . 15113 1 563 . 3 3 34 34 GLN HB2 H 1 2.239 . . 2 . . . . 48 GLN HB2 . 15113 1 564 . 3 3 34 34 GLN HB3 H 1 1.975 . . 2 . . . . 48 GLN HB3 . 15113 1 565 . 3 3 34 34 GLN HG2 H 1 2.560 . . 2 . . . . 48 GLN HG2 . 15113 1 566 . 3 3 34 34 GLN HG3 H 1 2.541 . . 2 . . . . 48 GLN HG3 . 15113 1 567 . 3 3 34 34 GLN CA C 13 55.702 . . 1 . . . . 48 GLN CA . 15113 1 568 . 3 3 34 34 GLN CB C 13 26.874 . . 1 . . . . 48 GLN CB . 15113 1 569 . 3 3 34 34 GLN CG C 13 32.514 . . 1 . . . . 48 GLN CG . 15113 1 570 . 3 3 35 35 LEU HA H 1 4.478 . . 1 . . . . 49 LEU HA . 15113 1 571 . 3 3 35 35 LEU HB2 H 1 1.858 . . 2 . . . . 49 LEU HB2 . 15113 1 572 . 3 3 35 35 LEU HB3 H 1 1.706 . . 2 . . . . 49 LEU HB3 . 15113 1 573 . 3 3 35 35 LEU HD11 H 1 0.997 . . 1 . . . . 49 LEU HD1 . 15113 1 574 . 3 3 35 35 LEU HD12 H 1 0.997 . . 1 . . . . 49 LEU HD1 . 15113 1 575 . 3 3 35 35 LEU HD13 H 1 0.997 . . 1 . . . . 49 LEU HD1 . 15113 1 576 . 3 3 35 35 LEU HD21 H 1 0.893 . . 1 . . . . 49 LEU HD2 . 15113 1 577 . 3 3 35 35 LEU HD22 H 1 0.893 . . 1 . . . . 49 LEU HD2 . 15113 1 578 . 3 3 35 35 LEU HD23 H 1 0.893 . . 1 . . . . 49 LEU HD2 . 15113 1 579 . 3 3 35 35 LEU HG H 1 1.568 . . 1 . . . . 49 LEU HG . 15113 1 580 . 3 3 35 35 LEU CA C 13 54.626 . . 1 . . . . 49 LEU CA . 15113 1 581 . 3 3 35 35 LEU CB C 13 39.755 . . 1 . . . . 49 LEU CB . 15113 1 582 . 3 3 35 35 LEU CD1 C 13 23.126 . . 1 . . . . 49 LEU CD1 . 15113 1 583 . 3 3 35 35 LEU CD2 C 13 20.782 . . 1 . . . . 49 LEU CD2 . 15113 1 584 . 3 3 35 35 LEU CG C 13 24.766 . . 1 . . . . 49 LEU CG . 15113 1 585 . 3 3 36 36 CYS HA H 1 4.589 . . 1 . . . . 50 CYS HA . 15113 1 586 . 3 3 36 36 CYS HB2 H 1 2.191 . . 1 . . . . 50 CYS HB2 . 15113 1 587 . 3 3 36 36 CYS HB3 H 1 2.129 . . 1 . . . . 50 CYS HB3 . 15113 1 588 . 3 3 36 36 CYS CA C 13 58.202 . . 1 . . . . 50 CYS CA . 15113 1 589 . 3 3 36 36 CYS CB C 13 31.798 . . 1 . . . . 50 CYS CB . 15113 1 590 . 3 3 37 37 ASN HA H 1 3.116 . . 1 . . . . 51 ASN HA . 15113 1 591 . 3 3 37 37 ASN HB2 H 1 3.276 . . 2 . . . . 51 ASN HB2 . 15113 1 592 . 3 3 37 37 ASN HB3 H 1 2.700 . . 2 . . . . 51 ASN HB3 . 15113 1 593 . 3 3 37 37 ASN CA C 13 53.326 . . 1 . . . . 51 ASN CA . 15113 1 594 . 3 3 37 37 ASN CB C 13 37.422 . . 1 . . . . 51 ASN CB . 15113 1 595 . 3 3 38 38 GLY HA2 H 1 3.708 . . 2 . . . . 52 GLY HA2 . 15113 1 596 . 3 3 38 38 GLY HA3 H 1 4.287 . . 2 . . . . 52 GLY HA3 . 15113 1 597 . 3 3 41 41 HIS HD2 H 1 6.385 . . 1 . . . . 55 HIS HD2 . 15113 1 598 . 3 3 41 41 HIS HE1 H 1 6.696 . . 1 . . . . 55 HIS HE1 . 15113 1 599 . 3 3 41 41 HIS CD2 C 13 124.843 . . 1 . . . . 55 HIS CD2 . 15113 1 600 . 3 3 41 41 HIS CE1 C 13 136.329 . . 1 . . . . 55 HIS CE1 . 15113 1 601 . 3 3 42 42 ASN HA H 1 4.707 . . 1 . . . . 56 ASN HA . 15113 1 602 . 3 3 42 42 ASN HB2 H 1 3.159 . . 2 . . . . 56 ASN HB2 . 15113 1 603 . 3 3 42 42 ASN HB3 H 1 2.63 . . 2 . . . . 56 ASN HB3 . 15113 1 604 . 3 3 42 42 ASN CA C 13 47.970 . . 1 . . . . 56 ASN CA . 15113 1 605 . 3 3 42 42 ASN CB C 13 39.230 . . 1 . . . . 56 ASN CB . 15113 1 606 . 3 3 43 43 ALA HA H 1 4.386 . . 1 . . . . 57 ALA HA . 15113 1 607 . 3 3 43 43 ALA HB1 H 1 1.417 . . 1 . . . . 57 ALA HB . 15113 1 608 . 3 3 43 43 ALA HB2 H 1 1.417 . . 1 . . . . 57 ALA HB . 15113 1 609 . 3 3 43 43 ALA HB3 H 1 1.417 . . 1 . . . . 57 ALA HB . 15113 1 610 . 3 3 43 43 ALA CA C 13 53.126 . . 1 . . . . 57 ALA CA . 15113 1 611 . 3 3 43 43 ALA CB C 13 17.010 . . 1 . . . . 57 ALA CB . 15113 1 612 . 3 3 44 44 LYS HA H 1 4.018 . . 1 . . . . 58 LYS HA . 15113 1 613 . 3 3 44 44 LYS HB2 H 1 1.839 . . 2 . . . . 58 LYS HB2 . 15113 1 614 . 3 3 44 44 LYS HB3 H 1 1.839 . . 2 . . . . 58 LYS HB3 . 15113 1 615 . 3 3 44 44 LYS HD2 H 1 1.663 . . 2 . . . . 58 LYS HD2 . 15113 1 616 . 3 3 44 44 LYS HD3 H 1 1.663 . . 2 . . . . 58 LYS HD3 . 15113 1 617 . 3 3 44 44 LYS HE2 H 1 2.960 . . 2 . . . . 58 LYS HE2 . 15113 1 618 . 3 3 44 44 LYS HE3 H 1 2.960 . . 2 . . . . 58 LYS HE3 . 15113 1 619 . 3 3 44 44 LYS HG2 H 1 1.415 . . 2 . . . . 58 LYS HG2 . 15113 1 620 . 3 3 44 44 LYS HG3 H 1 1.415 . . 2 . . . . 58 LYS HG3 . 15113 1 621 . 3 3 44 44 LYS CA C 13 52.423 . . 1 . . . . 58 LYS CA . 15113 1 622 . 3 3 44 44 LYS CB C 13 29.686 . . 1 . . . . 58 LYS CB . 15113 1 623 . 3 3 44 44 LYS CD C 13 27.108 . . 1 . . . . 58 LYS CD . 15113 1 624 . 3 3 44 44 LYS CE C 13 39.531 . . 1 . . . . 58 LYS CE . 15113 1 625 . 3 3 44 44 LYS CG C 13 22.892 . . 1 . . . . 58 LYS CG . 15113 1 626 . 3 3 46 46 CYS HA H 1 4.089 . . 1 . . . . 60 CYS HA . 15113 1 627 . 3 3 46 46 CYS HB2 H 1 3.344 . . 1 . . . . 60 CYS HB2 . 15113 1 628 . 3 3 46 46 CYS HB3 H 1 2.932 . . 1 . . . . 60 CYS HB3 . 15113 1 629 . 3 3 47 47 ARG HA H 1 4.450 . . 1 . . . . 61 ARG HA . 15113 1 630 . 3 3 47 47 ARG HB2 H 1 1.905 . . 2 . . . . 61 ARG HB2 . 15113 1 631 . 3 3 48 48 LYS HA H 1 4.440 . . 1 . . . . 62 LYS HA . 15113 1 632 . 3 3 48 48 LYS HB2 H 1 2.003 . . 2 . . . . 62 LYS HB2 . 15113 1 633 . 3 3 48 48 LYS HB3 H 1 2.003 . . 2 . . . . 62 LYS HB3 . 15113 1 634 . 3 3 48 48 LYS HD2 H 1 1.717 . . 2 . . . . 62 LYS HD2 . 15113 1 635 . 3 3 48 48 LYS HD3 H 1 1.717 . . 2 . . . . 62 LYS HD3 . 15113 1 636 . 3 3 48 48 LYS HE2 H 1 3.103 . . 2 . . . . 62 LYS HE2 . 15113 1 637 . 3 3 48 48 LYS HE3 H 1 3.103 . . 2 . . . . 62 LYS HE3 . 15113 1 638 . 3 3 48 48 LYS HG2 H 1 1.507 . . 2 . . . . 62 LYS HG2 . 15113 1 639 . 3 3 48 48 LYS HG3 H 1 1.507 . . 2 . . . . 62 LYS HG3 . 15113 1 640 . 3 3 48 48 LYS CA C 13 53.361 . . 1 . . . . 62 LYS CA . 15113 1 641 . 3 3 48 48 LYS CB C 13 31.327 . . 1 . . . . 62 LYS CB . 15113 1 642 . 3 3 48 48 LYS CD C 13 25.913 . . 1 . . . . 62 LYS CD . 15113 1 643 . 3 3 48 48 LYS CE C 13 40.234 . . 1 . . . . 62 LYS CE . 15113 1 644 . 3 3 48 48 LYS CG C 13 23.595 . . 1 . . . . 62 LYS CG . 15113 1 645 . 3 3 49 49 ARG HA H 1 4.220 . . 1 . . . . 63 ARG HA . 15113 1 646 . 3 3 49 49 ARG HB2 H 1 1.888 . . 2 . . . . 63 ARG HB2 . 15113 1 647 . 3 3 49 49 ARG HB3 H 1 1.847 . . 2 . . . . 63 ARG HB3 . 15113 1 648 . 3 3 49 49 ARG HD2 H 1 3.276 . . 2 . . . . 63 ARG HD2 . 15113 1 649 . 3 3 49 49 ARG HD3 H 1 3.276 . . 2 . . . . 63 ARG HD3 . 15113 1 650 . 3 3 49 49 ARG HG2 H 1 1.719 . . 2 . . . . 63 ARG HG2 . 15113 1 651 . 3 3 49 49 ARG HG3 H 1 1.602 . . 2 . . . . 63 ARG HG3 . 15113 1 652 . 3 3 49 49 ARG CA C 13 54.533 . . 1 . . . . 63 ARG CA . 15113 1 653 . 3 3 49 49 ARG CB C 13 28.514 . . 1 . . . . 63 ARG CB . 15113 1 654 . 3 3 49 49 ARG CD C 13 41.172 . . 1 . . . . 63 ARG CD . 15113 1 655 . 3 3 49 49 ARG CG C 13 24.767 . . 1 . . . . 63 ARG CG . 15113 1 stop_ save_