data_19547 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19547 _Entry.Title ; Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL3)/RsmE(dimer) 2:1 complex ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2013-10-11 _Entry.Accession_date 2013-10-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Olivier Duss . . . 19547 2 Nana 'Diarra Dit Konte' . . . 19547 3 Erich Michel . . . 19547 4 Mario Schubert . . . 19547 5 Frederic Allain . 'H. T.' . 19547 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19547 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'bacterial protein' . 19547 CsrA . 19547 CsrB . 19547 'homo-dimeric protein' . 19547 'messenger RNA' . 19547 'modulation of binding affinity' . 19547 'molecular mimicry' . 19547 NMR . 19547 'non-coding RNA' . 19547 'protein sequestration' . 19547 'Pseudomonas aeruginosa' . 19547 'RNA-Binding Proteins' . 19547 RsmA . 19547 RsmE . 19547 RsmZ . 19547 sRNA . 19547 'translation activation' . 19547 'translation repressor protein' . 19547 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19547 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 346 19547 '15N chemical shifts' 76 19547 '1H chemical shifts' 629 19547 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 . . 2014-05-02 2013-10-11 update BMRB 'update entry citation' 19547 1 . . 2014-02-24 2013-10-11 original author 'original release' 19547 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19544 'RsmZ(SL1)/RsmE(dimer) 2:1 complex' 19547 BMRB 19546 'RsmZ(SL2)/RsmE(dimer) 2:1 complex' 19547 BMRB 19548 'RsmZ(SL4)/RsmE(dimer) 2:1 complex' 19547 BMRB 19549 'RsmZ(36-44)/RsmE(dimer) 2:1 complex' 19547 PDB 2MFF 'BMRB Entry Tracking System' 19547 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19547 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24561806 _Citation.Full_citation . _Citation.Title 'Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Olivier Duss . . . 19547 1 2 Erich Michel . . . 19547 1 3 Nana 'Diarra Dit Konte' . . . 19547 1 4 Mario Schubert . . . 19547 1 5 'Frederic H-T' Allain . . . 19547 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19547 _Assembly.ID 1 _Assembly.Name 'RsmZ(SL3)/RsmE(dimer) 2:1 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 RsmE_1 1 $RsmE A . yes native no no . . . 19547 1 2 SL3(RsmZ)_1 2 $SL3(RsmZ) B . yes native no no . . . 19547 1 3 RsmE_2 1 $RsmE C . yes native no no . . . 19547 1 4 SL3(RsmZ)_2 2 $SL3(RsmZ) D . yes native no no . . . 19547 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RsmE _Entity.Sf_category entity _Entity.Sf_framecode RsmE _Entity.Entry_ID 19547 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RsmE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLILTRKVGESINIGDDITI TILGVSGQQVRIGINAPKDV AVHREEIYQRIQAGLTAPDK RETPH ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6405.423 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-06-22 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 BMRB 15257 . RsmE . . . . . 100.00 70 100.00 100.00 2.25e-37 . . . . 19547 1 2 no BMRB 19534 . RsmE . . . . . 90.77 59 100.00 100.00 3.36e-32 . . . . 19547 1 3 no BMRB 19544 . RsmE . . . . . 100.00 65 100.00 100.00 2.00e-37 . . . . 19547 1 4 no BMRB 19546 . RsmE . . . . . 100.00 65 100.00 100.00 2.00e-37 . . . . 19547 1 5 no BMRB 19548 . RsmE . . . . . 100.00 65 100.00 100.00 2.00e-37 . . . . 19547 1 6 no BMRB 19549 . RsmE . . . . . 100.00 65 100.00 100.00 2.00e-37 . . . . 19547 1 7 no PDB 2JPP . "Structural Basis Of RsmaCSRA RNA RECOGNITION: STRUCTURE OF Rsme Bound To The Shine-Dalgarno Sequence Of Hcna Mrna" . . . . . 100.00 70 100.00 100.00 2.25e-37 . . . . 19547 1 8 no PDB 2MF0 . "Structural Basis Of The Non-coding Rna Rsmz Acting As Protein Sponge: Conformer L Of Rsmz(1-72)/rsme(dimer) 1to3 Complex" . . . . . 100.00 70 100.00 100.00 2.25e-37 . . . . 19547 1 9 no PDB 2MF1 . "Structural Basis Of The Non-coding Rna Rsmz Acting As Protein Sponge: Conformer R Of Rsmz(1-72)/rsme(dimer) 1to3 Complex" . . . . . 100.00 70 100.00 100.00 2.25e-37 . . . . 19547 1 10 no PDB 2MFC . "Csr/rsm Protein-rna Recognition - A Molecular Affinity Ruler: Rsmz(sl1)/rsme(dimer) 2:1 Complex" . . . . . 100.00 70 100.00 100.00 2.25e-37 . . . . 19547 1 11 no PDB 2MFE . "Csr/rsm Protein-rna Recognition - A Molecular Affinity Ruler: Rsmz(sl2)/rsme(dimer) 2:1 Complex" . . . . . 100.00 70 100.00 100.00 2.25e-37 . . . . 19547 1 12 no PDB 2MFF . "Csr/rsm Protein-rna Recognition - A Molecular Affinity Ruler: Rsmz(sl3)/rsme(dimer) 2:1 Complex" . . . . . 100.00 70 100.00 100.00 2.25e-37 . . . . 19547 1 13 no PDB 2MFG . "Csr/rsm Protein-rna Recognition - A Molecular Affinity Ruler: Rsmz(sl4)/rsme(dimer) 2:1 Complex" . . . . . 100.00 70 100.00 100.00 2.25e-37 . . . . 19547 1 14 no PDB 2MFH . "Csr/rsm Protein-rna Recognition - A Molecular Affinity Ruler: Rsmz(36- 44)/rsme(dimer) 2:1 Complex" . . . . . 100.00 70 100.00 100.00 2.25e-37 . . . . 19547 1 15 no DBJ BAO61455 . "carbon storage regulator [Pseudomonas protegens Cab57]" . . . . . 98.46 64 100.00 100.00 2.83e-36 . . . . 19547 1 16 no DBJ BAQ73744 . "translational regulator RsmE [Pseudomonas sp. Os17]" . . . . . 98.46 64 98.44 100.00 1.09e-35 . . . . 19547 1 17 no DBJ BAQ80031 . "translational regulator RsmE [Pseudomonas sp. St29]" . . . . . 98.46 64 98.44 100.00 1.09e-35 . . . . 19547 1 18 no GB AAT27429 . "translational repressor [Pseudomonas protegens]" . . . . . 98.46 64 100.00 100.00 2.83e-36 . . . . 19547 1 19 no GB AAY91370 . "translational regulator RsmE [Pseudomonas protegens Pf-5]" . . . . . 98.46 64 100.00 100.00 2.83e-36 . . . . 19547 1 20 no GB AEL31265 . "RsmE [Pseudomonas chlororaphis]" . . . . . 98.46 64 100.00 100.00 2.83e-36 . . . . 19547 1 21 no GB AGL83913 . "carbon storage regulator [Pseudomonas protegens CHA0]" . . . . . 98.46 77 100.00 100.00 2.04e-36 . . . . 19547 1 22 no GB AIC19187 . "carbon storage regulator CsrA [Pseudomonas chlororaphis]" . . . . . 98.46 64 100.00 100.00 2.83e-36 . . . . 19547 1 23 no REF WP_007920550 . "MULTISPECIES: carbon storage regulator CsrA [Pseudomonas]" . . . . . 98.46 64 100.00 100.00 2.83e-36 . . . . 19547 1 24 no REF WP_017337657 . "carbon storage regulator CsrA [Pseudomonas fluorescens]" . . . . . 92.31 63 100.00 100.00 8.45e-33 . . . . 19547 1 25 no REF WP_045057924 . "carbon storage regulator CsrA [Pseudomonas sp. ES3-33]" . . . . . 92.31 63 100.00 100.00 7.83e-33 . . . . 19547 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19547 1 2 2 LEU . 19547 1 3 3 ILE . 19547 1 4 4 LEU . 19547 1 5 5 THR . 19547 1 6 6 ARG . 19547 1 7 7 LYS . 19547 1 8 8 VAL . 19547 1 9 9 GLY . 19547 1 10 10 GLU . 19547 1 11 11 SER . 19547 1 12 12 ILE . 19547 1 13 13 ASN . 19547 1 14 14 ILE . 19547 1 15 15 GLY . 19547 1 16 16 ASP . 19547 1 17 17 ASP . 19547 1 18 18 ILE . 19547 1 19 19 THR . 19547 1 20 20 ILE . 19547 1 21 21 THR . 19547 1 22 22 ILE . 19547 1 23 23 LEU . 19547 1 24 24 GLY . 19547 1 25 25 VAL . 19547 1 26 26 SER . 19547 1 27 27 GLY . 19547 1 28 28 GLN . 19547 1 29 29 GLN . 19547 1 30 30 VAL . 19547 1 31 31 ARG . 19547 1 32 32 ILE . 19547 1 33 33 GLY . 19547 1 34 34 ILE . 19547 1 35 35 ASN . 19547 1 36 36 ALA . 19547 1 37 37 PRO . 19547 1 38 38 LYS . 19547 1 39 39 ASP . 19547 1 40 40 VAL . 19547 1 41 41 ALA . 19547 1 42 42 VAL . 19547 1 43 43 HIS . 19547 1 44 44 ARG . 19547 1 45 45 GLU . 19547 1 46 46 GLU . 19547 1 47 47 ILE . 19547 1 48 48 TYR . 19547 1 49 49 GLN . 19547 1 50 50 ARG . 19547 1 51 51 ILE . 19547 1 52 52 GLN . 19547 1 53 53 ALA . 19547 1 54 54 GLY . 19547 1 55 55 LEU . 19547 1 56 56 THR . 19547 1 57 57 ALA . 19547 1 58 58 PRO . 19547 1 59 59 ASP . 19547 1 60 60 LYS . 19547 1 61 61 ARG . 19547 1 62 62 GLU . 19547 1 63 63 THR . 19547 1 64 64 PRO . 19547 1 65 65 HIS . 19547 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19547 1 . LEU 2 2 19547 1 . ILE 3 3 19547 1 . LEU 4 4 19547 1 . THR 5 5 19547 1 . ARG 6 6 19547 1 . LYS 7 7 19547 1 . VAL 8 8 19547 1 . GLY 9 9 19547 1 . GLU 10 10 19547 1 . SER 11 11 19547 1 . ILE 12 12 19547 1 . ASN 13 13 19547 1 . ILE 14 14 19547 1 . GLY 15 15 19547 1 . ASP 16 16 19547 1 . ASP 17 17 19547 1 . ILE 18 18 19547 1 . THR 19 19 19547 1 . ILE 20 20 19547 1 . THR 21 21 19547 1 . ILE 22 22 19547 1 . LEU 23 23 19547 1 . GLY 24 24 19547 1 . VAL 25 25 19547 1 . SER 26 26 19547 1 . GLY 27 27 19547 1 . GLN 28 28 19547 1 . GLN 29 29 19547 1 . VAL 30 30 19547 1 . ARG 31 31 19547 1 . ILE 32 32 19547 1 . GLY 33 33 19547 1 . ILE 34 34 19547 1 . ASN 35 35 19547 1 . ALA 36 36 19547 1 . PRO 37 37 19547 1 . LYS 38 38 19547 1 . ASP 39 39 19547 1 . VAL 40 40 19547 1 . ALA 41 41 19547 1 . VAL 42 42 19547 1 . HIS 43 43 19547 1 . ARG 44 44 19547 1 . GLU 45 45 19547 1 . GLU 46 46 19547 1 . ILE 47 47 19547 1 . TYR 48 48 19547 1 . GLN 49 49 19547 1 . ARG 50 50 19547 1 . ILE 51 51 19547 1 . GLN 52 52 19547 1 . ALA 53 53 19547 1 . GLY 54 54 19547 1 . LEU 55 55 19547 1 . THR 56 56 19547 1 . ALA 57 57 19547 1 . PRO 58 58 19547 1 . ASP 59 59 19547 1 . LYS 60 60 19547 1 . ARG 61 61 19547 1 . GLU 62 62 19547 1 . THR 63 63 19547 1 . PRO 64 64 19547 1 . HIS 65 65 19547 1 stop_ save_ save_SL3(RsmZ) _Entity.Sf_category entity _Entity.Sf_framecode SL3(RsmZ) _Entity.Entry_ID 19547 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SL3(RsmZ) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGAUCGCAGGAAGCGAUCC C ; _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 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6806.186 _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 40 G . 19547 2 2 41 G . 19547 2 3 42 G . 19547 2 4 43 A . 19547 2 5 44 U . 19547 2 6 45 C . 19547 2 7 46 G . 19547 2 8 47 C . 19547 2 9 48 A . 19547 2 10 49 G . 19547 2 11 50 G . 19547 2 12 51 A . 19547 2 13 52 A . 19547 2 14 53 G . 19547 2 15 54 C . 19547 2 16 55 G . 19547 2 17 56 A . 19547 2 18 57 U . 19547 2 19 58 C . 19547 2 20 59 C . 19547 2 21 60 C . 19547 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 . G 1 1 19547 2 . G 2 2 19547 2 . G 3 3 19547 2 . A 4 4 19547 2 . U 5 5 19547 2 . C 6 6 19547 2 . G 7 7 19547 2 . C 8 8 19547 2 . A 9 9 19547 2 . G 10 10 19547 2 . G 11 11 19547 2 . A 12 12 19547 2 . A 13 13 19547 2 . G 14 14 19547 2 . C 15 15 19547 2 . G 16 16 19547 2 . A 17 17 19547 2 . U 18 18 19547 2 . C 19 19 19547 2 . C 20 20 19547 2 . C 21 21 19547 2 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 19547 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RsmE . 294 organism . 'Pseudomonas fluorescens' g-proteobacteria . . Bacteria . Pseudomonas fluorescens CHA0 . . . . . . . . . . . . . . . . . . . . 19547 1 2 2 $SL3(RsmZ) . 294 organism . 'Pseudomonas fluorescens' g-proteobacteria . . Bacteria . Pseudomonas fluorescens CHA0 . . . . . . . . . . . . . . . . . . . . 19547 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 19547 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RsmE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 19547 1 2 2 $SL3(RsmZ) . 'in vitro transcription' 'phage T7' . . . phage T7 . . . . . . . . . . . . . . . . . . . . . . . 19547 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19547 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 RsmE '[U-100% 15N]' . . 1 $RsmE . . 1 . . mM . . . . 19547 1 2 SL3(RsmZ) 'natural abundance' . . 2 $SL3(RsmZ) . . 1 . . mM . . . . 19547 1 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19547 1 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19547 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19547 1 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19547 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19547 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RsmE '[U-100% 15N]' . . 1 $RsmE . . 1 . . mM . . . . 19547 2 2 SL3(RsmZ) 'natural abundance' . . 2 $SL3(RsmZ) . . 1 . . mM . . . . 19547 2 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19547 2 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19547 2 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19547 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19547 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 RsmE '[U-100% 13C; U-100% 15N]' . . 1 $RsmE . . 1 . . mM . . . . 19547 3 2 SL3(RsmZ) 'natural abundance' . . 2 $SL3(RsmZ) . . 1 . . mM . . . . 19547 3 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19547 3 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19547 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19547 3 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19547 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19547 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RsmE '[U-100% 13C; U-100% 15N]' . . 1 $RsmE . . 1 . . mM . . . . 19547 4 2 SL3(RsmZ) 'natural abundance' . . 2 $SL3(RsmZ) . . 1 . . mM . . . . 19547 4 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19547 4 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19547 4 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19547 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19547 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 RsmE '[U-100% 15N]' . . 1 $RsmE . . 1 . . mM . . . . 19547 5 2 SL3(RsmZ) '[U-100% 13C; U-100% 15N]-Ade/Ura RNA' . . 2 $SL3(RsmZ) . . 1 . . mM . . . . 19547 5 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19547 5 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19547 5 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19547 5 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19547 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19547 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RsmE '[U-100% 15N]' . . 1 $RsmE . . 1 . . mM . . . . 19547 6 2 SL3(RsmZ) '[U-100% 13C; U-100% 15N]-Ade/Ura RNA' . . 2 $SL3(RsmZ) . . 1 . . mM . . . . 19547 6 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19547 6 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19547 6 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19547 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 19547 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 RsmE '[U-100% 15N]' . . 1 $RsmE . . 1 . . mM . . . . 19547 7 2 SL3(RsmZ) '[U-100% 13C; U-100% 15N]-Cyt/Gua RNA' . . 2 $SL3(RsmZ) . . 1 . . mM . . . . 19547 7 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19547 7 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19547 7 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19547 7 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19547 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 19547 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RsmE '[U-100% 15N]' . . 1 $RsmE . . 1 . . mM . . . . 19547 8 2 SL3(RsmZ) '[U-100% 13C; U-100% 15N]-Cyt/Gua RNA' . . 2 $SL3(RsmZ) . . 1 . . mM . . . . 19547 8 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19547 8 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19547 8 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19547 8 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 19547 _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' 0.18 . M 19547 1 pH 7.2 . pH 19547 1 pressure 1 . atm 19547 1 temperature 313 . K 19547 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19547 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19547 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19547 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19547 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19547 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19547 2 'data analysis' 19547 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19547 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19547 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19547 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19547 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19547 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19547 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 19547 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19547 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19547 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19547 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19547 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 19547 1 2 spectrometer_2 Bruker Avance . 600 . . . 19547 1 3 spectrometer_3 Bruker Avance . 700 . . . 19547 1 4 spectrometer_4 Bruker Avance . 900 . . . 19547 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 19547 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 7 '3D 1Fe3Ff NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 9 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 10 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 17 '3D 1H-13C NOESY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 18 '3D 1Fe3Ff NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 19 '3D 1Fe3Ff NOESY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 20 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 1 21 '3D HCCH-TOCSY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19547 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 19547 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19547 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19547 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19547 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 19547 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19547 1 2 '3D 1H-15N NOESY' . . . 19547 1 5 '2D 1H-13C HSQC' . . . 19547 1 6 '3D 1H-13C NOESY aliphatic' . . . 19547 1 8 '3D HCCH-TOCSY' . . . 19547 1 9 '3D HNCA' . . . 19547 1 10 '3D HNCACB' . . . 19547 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.977 0.005 . 1 . . . A 1 MET HA . 19547 1 2 . 1 1 1 1 MET HB2 H 1 1.895 0.016 . 2 . . . A 1 MET HB2 . 19547 1 3 . 1 1 1 1 MET HB3 H 1 1.963 0.013 . 2 . . . A 1 MET HB3 . 19547 1 4 . 1 1 1 1 MET HG2 H 1 2.213 0.007 . 2 . . . A 1 MET HG2 . 19547 1 5 . 1 1 1 1 MET HG3 H 1 2.106 0.011 . 2 . . . A 1 MET HG3 . 19547 1 6 . 1 1 1 1 MET HE1 H 1 1.639 0.020 . 1 . . . A 1 MET HE1 . 19547 1 7 . 1 1 1 1 MET HE2 H 1 1.639 0.020 . 1 . . . A 1 MET HE2 . 19547 1 8 . 1 1 1 1 MET HE3 H 1 1.639 0.020 . 1 . . . A 1 MET HE3 . 19547 1 9 . 1 1 1 1 MET CA C 13 55.548 0.074 . 1 . . . A 1 MET CA . 19547 1 10 . 1 1 1 1 MET CB C 13 34.725 0.064 . 1 . . . A 1 MET CB . 19547 1 11 . 1 1 1 1 MET CG C 13 30.854 0.121 . 1 . . . A 1 MET CG . 19547 1 12 . 1 1 1 1 MET CE C 13 16.825 0.038 . 1 . . . A 1 MET CE . 19547 1 13 . 1 1 2 2 LEU H H 1 8.415 0.013 . 1 . . . A 2 LEU H . 19547 1 14 . 1 1 2 2 LEU HA H 1 4.588 0.000 . 1 . . . A 2 LEU HA . 19547 1 15 . 1 1 2 2 LEU HB2 H 1 1.391 0.015 . 2 . . . A 2 LEU HB2 . 19547 1 16 . 1 1 2 2 LEU HB3 H 1 1.022 0.013 . 2 . . . A 2 LEU HB3 . 19547 1 17 . 1 1 2 2 LEU HG H 1 0.785 0.016 . 1 . . . A 2 LEU HG . 19547 1 18 . 1 1 2 2 LEU HD11 H 1 -0.367 0.011 . 2 . . . A 2 LEU HD11 . 19547 1 19 . 1 1 2 2 LEU HD12 H 1 -0.367 0.011 . 2 . . . A 2 LEU HD12 . 19547 1 20 . 1 1 2 2 LEU HD13 H 1 -0.367 0.011 . 2 . . . A 2 LEU HD13 . 19547 1 21 . 1 1 2 2 LEU HD21 H 1 0.337 0.014 . 2 . . . A 2 LEU HD21 . 19547 1 22 . 1 1 2 2 LEU HD22 H 1 0.337 0.014 . 2 . . . A 2 LEU HD22 . 19547 1 23 . 1 1 2 2 LEU HD23 H 1 0.337 0.014 . 2 . . . A 2 LEU HD23 . 19547 1 24 . 1 1 2 2 LEU CA C 13 54.177 0.000 . 1 . . . A 2 LEU CA . 19547 1 25 . 1 1 2 2 LEU CB C 13 42.383 0.074 . 1 . . . A 2 LEU CB . 19547 1 26 . 1 1 2 2 LEU CG C 13 27.256 0.186 . 1 . . . A 2 LEU CG . 19547 1 27 . 1 1 2 2 LEU CD1 C 13 25.454 0.063 . 2 . . . A 2 LEU CD1 . 19547 1 28 . 1 1 2 2 LEU CD2 C 13 22.010 0.036 . 2 . . . A 2 LEU CD2 . 19547 1 29 . 1 1 2 2 LEU N N 15 125.858 0.058 . 1 . . . A 2 LEU N . 19547 1 30 . 1 1 3 3 ILE H H 1 10.198 0.013 . 1 . . . A 3 ILE H . 19547 1 31 . 1 1 3 3 ILE HA H 1 4.853 0.025 . 1 . . . A 3 ILE HA . 19547 1 32 . 1 1 3 3 ILE HB H 1 1.146 0.020 . 1 . . . A 3 ILE HB . 19547 1 33 . 1 1 3 3 ILE HG21 H 1 0.572 0.011 . 1 . . . A 3 ILE HG21 . 19547 1 34 . 1 1 3 3 ILE HG22 H 1 0.572 0.011 . 1 . . . A 3 ILE HG22 . 19547 1 35 . 1 1 3 3 ILE HG23 H 1 0.572 0.011 . 1 . . . A 3 ILE HG23 . 19547 1 36 . 1 1 3 3 ILE HD11 H 1 0.559 0.009 . 1 . . . A 3 ILE HD11 . 19547 1 37 . 1 1 3 3 ILE HD12 H 1 0.559 0.009 . 1 . . . A 3 ILE HD12 . 19547 1 38 . 1 1 3 3 ILE HD13 H 1 0.559 0.009 . 1 . . . A 3 ILE HD13 . 19547 1 39 . 1 1 3 3 ILE CA C 13 60.319 0.050 . 1 . . . A 3 ILE CA . 19547 1 40 . 1 1 3 3 ILE CB C 13 38.051 0.133 . 1 . . . A 3 ILE CB . 19547 1 41 . 1 1 3 3 ILE CG2 C 13 16.858 0.033 . 1 . . . A 3 ILE CG2 . 19547 1 42 . 1 1 3 3 ILE CD1 C 13 13.883 0.086 . 1 . . . A 3 ILE CD1 . 19547 1 43 . 1 1 3 3 ILE N N 15 130.863 0.042 . 1 . . . A 3 ILE N . 19547 1 44 . 1 1 4 4 LEU H H 1 8.846 0.012 . 1 . . . A 4 LEU H . 19547 1 45 . 1 1 4 4 LEU HA H 1 4.543 0.000 . 1 . . . A 4 LEU HA . 19547 1 46 . 1 1 4 4 LEU HB2 H 1 1.282 0.015 . 2 . . . A 4 LEU HB2 . 19547 1 47 . 1 1 4 4 LEU HB3 H 1 0.838 0.016 . 2 . . . A 4 LEU HB3 . 19547 1 48 . 1 1 4 4 LEU HG H 1 1.041 0.011 . 1 . . . A 4 LEU HG . 19547 1 49 . 1 1 4 4 LEU HD11 H 1 0.280 0.013 . 2 . . . A 4 LEU HD11 . 19547 1 50 . 1 1 4 4 LEU HD12 H 1 0.280 0.013 . 2 . . . A 4 LEU HD12 . 19547 1 51 . 1 1 4 4 LEU HD13 H 1 0.280 0.013 . 2 . . . A 4 LEU HD13 . 19547 1 52 . 1 1 4 4 LEU HD21 H 1 0.077 0.011 . 2 . . . A 4 LEU HD21 . 19547 1 53 . 1 1 4 4 LEU HD22 H 1 0.077 0.011 . 2 . . . A 4 LEU HD22 . 19547 1 54 . 1 1 4 4 LEU HD23 H 1 0.077 0.011 . 2 . . . A 4 LEU HD23 . 19547 1 55 . 1 1 4 4 LEU CA C 13 52.407 0.000 . 1 . . . A 4 LEU CA . 19547 1 56 . 1 1 4 4 LEU CB C 13 46.350 0.071 . 1 . . . A 4 LEU CB . 19547 1 57 . 1 1 4 4 LEU CG C 13 26.457 0.025 . 1 . . . A 4 LEU CG . 19547 1 58 . 1 1 4 4 LEU CD1 C 13 26.173 0.031 . 2 . . . A 4 LEU CD1 . 19547 1 59 . 1 1 4 4 LEU CD2 C 13 23.427 0.053 . 2 . . . A 4 LEU CD2 . 19547 1 60 . 1 1 4 4 LEU N N 15 123.561 0.058 . 1 . . . A 4 LEU N . 19547 1 61 . 1 1 5 5 THR H H 1 9.094 0.049 . 1 . . . A 5 THR H . 19547 1 62 . 1 1 5 5 THR HA H 1 5.469 0.005 . 1 . . . A 5 THR HA . 19547 1 63 . 1 1 5 5 THR HB H 1 3.986 0.006 . 1 . . . A 5 THR HB . 19547 1 64 . 1 1 5 5 THR HG21 H 1 1.016 0.010 . 1 . . . A 5 THR HG21 . 19547 1 65 . 1 1 5 5 THR HG22 H 1 1.016 0.010 . 1 . . . A 5 THR HG22 . 19547 1 66 . 1 1 5 5 THR HG23 H 1 1.016 0.010 . 1 . . . A 5 THR HG23 . 19547 1 67 . 1 1 5 5 THR CA C 13 60.415 0.043 . 1 . . . A 5 THR CA . 19547 1 68 . 1 1 5 5 THR CB C 13 69.449 0.127 . 1 . . . A 5 THR CB . 19547 1 69 . 1 1 5 5 THR CG2 C 13 22.203 0.138 . 1 . . . A 5 THR CG2 . 19547 1 70 . 1 1 5 5 THR N N 15 123.256 0.000 . 1 . . . A 5 THR N . 19547 1 71 . 1 1 6 6 ARG H H 1 9.161 0.017 . 1 . . . A 6 ARG H . 19547 1 72 . 1 1 6 6 ARG HA H 1 4.909 0.014 . 1 . . . A 6 ARG HA . 19547 1 73 . 1 1 6 6 ARG HB2 H 1 1.860 0.022 . 2 . . . A 6 ARG HB2 . 19547 1 74 . 1 1 6 6 ARG HB3 H 1 1.651 0.015 . 2 . . . A 6 ARG HB3 . 19547 1 75 . 1 1 6 6 ARG HD2 H 1 2.960 0.007 . 2 . . . A 6 ARG HD2 . 19547 1 76 . 1 1 6 6 ARG HD3 H 1 2.909 0.013 . 2 . . . A 6 ARG HD3 . 19547 1 77 . 1 1 6 6 ARG HE H 1 8.646 0.011 . 1 . . . A 6 ARG HE . 19547 1 78 . 1 1 6 6 ARG CA C 13 55.056 0.127 . 1 . . . A 6 ARG CA . 19547 1 79 . 1 1 6 6 ARG CB C 13 38.720 0.093 . 1 . . . A 6 ARG CB . 19547 1 80 . 1 1 6 6 ARG CD C 13 45.616 0.035 . 1 . . . A 6 ARG CD . 19547 1 81 . 1 1 6 6 ARG N N 15 123.316 0.039 . 1 . . . A 6 ARG N . 19547 1 82 . 1 1 6 6 ARG NE N 15 82.716 0.096 . 1 . . . A 6 ARG NE . 19547 1 83 . 1 1 7 7 LYS H H 1 9.295 0.004 . 1 . . . A 7 LYS H . 19547 1 84 . 1 1 7 7 LYS HA H 1 5.213 0.016 . 1 . . . A 7 LYS HA . 19547 1 85 . 1 1 7 7 LYS HB2 H 1 1.833 0.006 . 2 . . . A 7 LYS HB2 . 19547 1 86 . 1 1 7 7 LYS HB3 H 1 1.446 0.012 . 2 . . . A 7 LYS HB3 . 19547 1 87 . 1 1 7 7 LYS HG2 H 1 1.449 0.007 . 2 . . . A 7 LYS HG2 . 19547 1 88 . 1 1 7 7 LYS HG3 H 1 1.449 0.007 . 2 . . . A 7 LYS HG3 . 19547 1 89 . 1 1 7 7 LYS HD2 H 1 1.796 0.009 . 2 . . . A 7 LYS HD2 . 19547 1 90 . 1 1 7 7 LYS HD3 H 1 1.634 0.015 . 2 . . . A 7 LYS HD3 . 19547 1 91 . 1 1 7 7 LYS HE2 H 1 2.957 0.014 . 2 . . . A 7 LYS HE2 . 19547 1 92 . 1 1 7 7 LYS HE3 H 1 2.957 0.014 . 2 . . . A 7 LYS HE3 . 19547 1 93 . 1 1 7 7 LYS CA C 13 54.024 0.042 . 1 . . . A 7 LYS CA . 19547 1 94 . 1 1 7 7 LYS CB C 13 33.909 0.107 . 1 . . . A 7 LYS CB . 19547 1 95 . 1 1 7 7 LYS CG C 13 25.001 0.072 . 1 . . . A 7 LYS CG . 19547 1 96 . 1 1 7 7 LYS CD C 13 28.970 0.093 . 1 . . . A 7 LYS CD . 19547 1 97 . 1 1 7 7 LYS CE C 13 41.343 0.322 . 1 . . . A 7 LYS CE . 19547 1 98 . 1 1 7 7 LYS N N 15 122.466 0.015 . 1 . . . A 7 LYS N . 19547 1 99 . 1 1 8 8 VAL H H 1 7.576 0.017 . 1 . . . A 8 VAL H . 19547 1 100 . 1 1 8 8 VAL HA H 1 3.278 0.005 . 1 . . . A 8 VAL HA . 19547 1 101 . 1 1 8 8 VAL HB H 1 1.943 0.006 . 1 . . . A 8 VAL HB . 19547 1 102 . 1 1 8 8 VAL HG11 H 1 1.002 0.011 . 2 . . . A 8 VAL HG11 . 19547 1 103 . 1 1 8 8 VAL HG12 H 1 1.002 0.011 . 2 . . . A 8 VAL HG12 . 19547 1 104 . 1 1 8 8 VAL HG13 H 1 1.002 0.011 . 2 . . . A 8 VAL HG13 . 19547 1 105 . 1 1 8 8 VAL HG21 H 1 0.877 0.027 . 2 . . . A 8 VAL HG21 . 19547 1 106 . 1 1 8 8 VAL HG22 H 1 0.877 0.027 . 2 . . . A 8 VAL HG22 . 19547 1 107 . 1 1 8 8 VAL HG23 H 1 0.877 0.027 . 2 . . . A 8 VAL HG23 . 19547 1 108 . 1 1 8 8 VAL CA C 13 65.914 0.119 . 1 . . . A 8 VAL CA . 19547 1 109 . 1 1 8 8 VAL CB C 13 31.589 0.096 . 1 . . . A 8 VAL CB . 19547 1 110 . 1 1 8 8 VAL CG1 C 13 23.048 0.094 . 2 . . . A 8 VAL CG1 . 19547 1 111 . 1 1 8 8 VAL CG2 C 13 21.151 0.015 . 2 . . . A 8 VAL CG2 . 19547 1 112 . 1 1 8 8 VAL N N 15 118.123 0.087 . 1 . . . A 8 VAL N . 19547 1 113 . 1 1 9 9 GLY H H 1 9.255 0.005 . 1 . . . A 9 GLY H . 19547 1 114 . 1 1 9 9 GLY HA2 H 1 3.667 0.013 . 2 . . . A 9 GLY HA2 . 19547 1 115 . 1 1 9 9 GLY HA3 H 1 4.430 0.001 . 2 . . . A 9 GLY HA3 . 19547 1 116 . 1 1 9 9 GLY CA C 13 44.582 0.014 . 1 . . . A 9 GLY CA . 19547 1 117 . 1 1 9 9 GLY N N 15 116.005 0.000 . 1 . . . A 9 GLY N . 19547 1 118 . 1 1 10 10 GLU H H 1 8.364 0.009 . 1 . . . A 10 GLU H . 19547 1 119 . 1 1 10 10 GLU HA H 1 4.882 0.014 . 1 . . . A 10 GLU HA . 19547 1 120 . 1 1 10 10 GLU HB2 H 1 2.542 0.018 . 2 . . . A 10 GLU HB2 . 19547 1 121 . 1 1 10 10 GLU HB3 H 1 2.036 0.004 . 2 . . . A 10 GLU HB3 . 19547 1 122 . 1 1 10 10 GLU HG2 H 1 2.171 0.009 . 2 . . . A 10 GLU HG2 . 19547 1 123 . 1 1 10 10 GLU HG3 H 1 2.171 0.009 . 2 . . . A 10 GLU HG3 . 19547 1 124 . 1 1 10 10 GLU CA C 13 55.692 0.130 . 1 . . . A 10 GLU CA . 19547 1 125 . 1 1 10 10 GLU CB C 13 32.583 0.125 . 1 . . . A 10 GLU CB . 19547 1 126 . 1 1 10 10 GLU CG C 13 37.472 0.044 . 1 . . . A 10 GLU CG . 19547 1 127 . 1 1 10 10 GLU N N 15 119.485 0.000 . 1 . . . A 10 GLU N . 19547 1 128 . 1 1 11 11 SER H H 1 8.620 0.007 . 1 . . . A 11 SER H . 19547 1 129 . 1 1 11 11 SER HA H 1 5.866 0.009 . 1 . . . A 11 SER HA . 19547 1 130 . 1 1 11 11 SER HB2 H 1 3.594 0.017 . 2 . . . A 11 SER HB2 . 19547 1 131 . 1 1 11 11 SER HB3 H 1 3.495 0.011 . 2 . . . A 11 SER HB3 . 19547 1 132 . 1 1 11 11 SER CA C 13 57.942 0.115 . 1 . . . A 11 SER CA . 19547 1 133 . 1 1 11 11 SER CB C 13 67.035 0.059 . 1 . . . A 11 SER CB . 19547 1 134 . 1 1 11 11 SER N N 15 112.365 0.000 . 1 . . . A 11 SER N . 19547 1 135 . 1 1 12 12 ILE H H 1 9.260 0.007 . 1 . . . A 12 ILE H . 19547 1 136 . 1 1 12 12 ILE HA H 1 4.342 0.012 . 1 . . . A 12 ILE HA . 19547 1 137 . 1 1 12 12 ILE HB H 1 1.252 0.009 . 1 . . . A 12 ILE HB . 19547 1 138 . 1 1 12 12 ILE HG12 H 1 1.312 0.013 . 2 . . . A 12 ILE HG12 . 19547 1 139 . 1 1 12 12 ILE HG13 H 1 0.513 0.004 . 2 . . . A 12 ILE HG13 . 19547 1 140 . 1 1 12 12 ILE HG21 H 1 0.396 0.002 . 1 . . . A 12 ILE HG21 . 19547 1 141 . 1 1 12 12 ILE HG22 H 1 0.396 0.002 . 1 . . . A 12 ILE HG22 . 19547 1 142 . 1 1 12 12 ILE HG23 H 1 0.396 0.002 . 1 . . . A 12 ILE HG23 . 19547 1 143 . 1 1 12 12 ILE HD11 H 1 0.515 0.010 . 1 . . . A 12 ILE HD11 . 19547 1 144 . 1 1 12 12 ILE HD12 H 1 0.515 0.010 . 1 . . . A 12 ILE HD12 . 19547 1 145 . 1 1 12 12 ILE HD13 H 1 0.515 0.010 . 1 . . . A 12 ILE HD13 . 19547 1 146 . 1 1 12 12 ILE CA C 13 59.899 0.115 . 1 . . . A 12 ILE CA . 19547 1 147 . 1 1 12 12 ILE CB C 13 42.791 0.081 . 1 . . . A 12 ILE CB . 19547 1 148 . 1 1 12 12 ILE CG1 C 13 28.190 0.055 . 1 . . . A 12 ILE CG1 . 19547 1 149 . 1 1 12 12 ILE CG2 C 13 17.165 0.075 . 1 . . . A 12 ILE CG2 . 19547 1 150 . 1 1 12 12 ILE CD1 C 13 14.550 0.435 . 1 . . . A 12 ILE CD1 . 19547 1 151 . 1 1 12 12 ILE N N 15 124.398 0.053 . 1 . . . A 12 ILE N . 19547 1 152 . 1 1 13 13 ASN H H 1 9.364 0.014 . 1 . . . A 13 ASN H . 19547 1 153 . 1 1 13 13 ASN HA H 1 5.024 0.011 . 1 . . . A 13 ASN HA . 19547 1 154 . 1 1 13 13 ASN HB2 H 1 2.205 0.008 . 2 . . . A 13 ASN HB2 . 19547 1 155 . 1 1 13 13 ASN HB3 H 1 1.905 0.007 . 2 . . . A 13 ASN HB3 . 19547 1 156 . 1 1 13 13 ASN HD21 H 1 5.812 0.007 . 2 . . . A 13 ASN HD21 . 19547 1 157 . 1 1 13 13 ASN HD22 H 1 6.476 0.009 . 2 . . . A 13 ASN HD22 . 19547 1 158 . 1 1 13 13 ASN CA C 13 53.319 0.066 . 1 . . . A 13 ASN CA . 19547 1 159 . 1 1 13 13 ASN CB C 13 41.462 0.064 . 1 . . . A 13 ASN CB . 19547 1 160 . 1 1 13 13 ASN N N 15 126.218 0.000 . 1 . . . A 13 ASN N . 19547 1 161 . 1 1 13 13 ASN ND2 N 15 107.561 0.020 . 1 . . . A 13 ASN ND2 . 19547 1 162 . 1 1 14 14 ILE H H 1 8.451 0.012 . 1 . . . A 14 ILE H . 19547 1 163 . 1 1 14 14 ILE HA H 1 4.456 0.017 . 1 . . . A 14 ILE HA . 19547 1 164 . 1 1 14 14 ILE HB H 1 1.437 0.005 . 1 . . . A 14 ILE HB . 19547 1 165 . 1 1 14 14 ILE HG12 H 1 1.263 0.015 . 2 . . . A 14 ILE HG12 . 19547 1 166 . 1 1 14 14 ILE HG13 H 1 0.751 0.005 . 2 . . . A 14 ILE HG13 . 19547 1 167 . 1 1 14 14 ILE HG21 H 1 0.591 0.014 . 1 . . . A 14 ILE HG21 . 19547 1 168 . 1 1 14 14 ILE HG22 H 1 0.591 0.014 . 1 . . . A 14 ILE HG22 . 19547 1 169 . 1 1 14 14 ILE HG23 H 1 0.591 0.014 . 1 . . . A 14 ILE HG23 . 19547 1 170 . 1 1 14 14 ILE HD11 H 1 0.512 0.004 . 1 . . . A 14 ILE HD11 . 19547 1 171 . 1 1 14 14 ILE HD12 H 1 0.512 0.004 . 1 . . . A 14 ILE HD12 . 19547 1 172 . 1 1 14 14 ILE HD13 H 1 0.512 0.004 . 1 . . . A 14 ILE HD13 . 19547 1 173 . 1 1 14 14 ILE CA C 13 60.571 0.097 . 1 . . . A 14 ILE CA . 19547 1 174 . 1 1 14 14 ILE CB C 13 38.524 0.046 . 1 . . . A 14 ILE CB . 19547 1 175 . 1 1 14 14 ILE CG1 C 13 27.473 0.076 . 1 . . . A 14 ILE CG1 . 19547 1 176 . 1 1 14 14 ILE CG2 C 13 17.012 0.037 . 1 . . . A 14 ILE CG2 . 19547 1 177 . 1 1 14 14 ILE CD1 C 13 14.006 0.046 . 1 . . . A 14 ILE CD1 . 19547 1 178 . 1 1 14 14 ILE N N 15 123.971 0.009 . 1 . . . A 14 ILE N . 19547 1 179 . 1 1 15 15 GLY H H 1 9.075 0.010 . 1 . . . A 15 GLY H . 19547 1 180 . 1 1 15 15 GLY HA2 H 1 4.040 0.004 . 2 . . . A 15 GLY HA2 . 19547 1 181 . 1 1 15 15 GLY HA3 H 1 3.927 0.005 . 2 . . . A 15 GLY HA3 . 19547 1 182 . 1 1 15 15 GLY CA C 13 46.060 0.072 . 1 . . . A 15 GLY CA . 19547 1 183 . 1 1 15 15 GLY N N 15 115.306 0.034 . 1 . . . A 15 GLY N . 19547 1 184 . 1 1 16 16 ASP H H 1 8.713 0.008 . 1 . . . A 16 ASP H . 19547 1 185 . 1 1 16 16 ASP HA H 1 4.909 0.005 . 1 . . . A 16 ASP HA . 19547 1 186 . 1 1 16 16 ASP HB2 H 1 2.801 0.009 . 2 . . . A 16 ASP HB2 . 19547 1 187 . 1 1 16 16 ASP HB3 H 1 2.498 0.017 . 2 . . . A 16 ASP HB3 . 19547 1 188 . 1 1 16 16 ASP CA C 13 55.357 0.043 . 1 . . . A 16 ASP CA . 19547 1 189 . 1 1 16 16 ASP CB C 13 42.270 0.106 . 1 . . . A 16 ASP CB . 19547 1 190 . 1 1 16 16 ASP N N 15 120.409 0.000 . 1 . . . A 16 ASP N . 19547 1 191 . 1 1 17 17 ASP H H 1 8.149 0.005 . 1 . . . A 17 ASP H . 19547 1 192 . 1 1 17 17 ASP HA H 1 4.729 0.007 . 1 . . . A 17 ASP HA . 19547 1 193 . 1 1 17 17 ASP HB2 H 1 2.677 0.011 . 2 . . . A 17 ASP HB2 . 19547 1 194 . 1 1 17 17 ASP HB3 H 1 2.539 0.007 . 2 . . . A 17 ASP HB3 . 19547 1 195 . 1 1 17 17 ASP CA C 13 54.123 0.154 . 1 . . . A 17 ASP CA . 19547 1 196 . 1 1 17 17 ASP CB C 13 42.518 0.092 . 1 . . . A 17 ASP CB . 19547 1 197 . 1 1 17 17 ASP N N 15 115.565 0.005 . 1 . . . A 17 ASP N . 19547 1 198 . 1 1 18 18 ILE H H 1 7.181 0.004 . 1 . . . A 18 ILE H . 19547 1 199 . 1 1 18 18 ILE HA H 1 5.178 0.005 . 1 . . . A 18 ILE HA . 19547 1 200 . 1 1 18 18 ILE HB H 1 2.180 0.005 . 1 . . . A 18 ILE HB . 19547 1 201 . 1 1 18 18 ILE HG12 H 1 1.755 0.007 . 2 . . . A 18 ILE HG12 . 19547 1 202 . 1 1 18 18 ILE HG21 H 1 0.602 0.011 . 1 . . . A 18 ILE HG21 . 19547 1 203 . 1 1 18 18 ILE HG22 H 1 0.602 0.011 . 1 . . . A 18 ILE HG22 . 19547 1 204 . 1 1 18 18 ILE HG23 H 1 0.602 0.011 . 1 . . . A 18 ILE HG23 . 19547 1 205 . 1 1 18 18 ILE HD11 H 1 0.683 0.010 . 1 . . . A 18 ILE HD11 . 19547 1 206 . 1 1 18 18 ILE HD12 H 1 0.683 0.010 . 1 . . . A 18 ILE HD12 . 19547 1 207 . 1 1 18 18 ILE HD13 H 1 0.683 0.010 . 1 . . . A 18 ILE HD13 . 19547 1 208 . 1 1 18 18 ILE CA C 13 60.154 0.080 . 1 . . . A 18 ILE CA . 19547 1 209 . 1 1 18 18 ILE CB C 13 39.612 0.045 . 1 . . . A 18 ILE CB . 19547 1 210 . 1 1 18 18 ILE CG1 C 13 27.349 0.044 . 1 . . . A 18 ILE CG1 . 19547 1 211 . 1 1 18 18 ILE CG2 C 13 16.961 0.034 . 1 . . . A 18 ILE CG2 . 19547 1 212 . 1 1 18 18 ILE CD1 C 13 14.095 0.015 . 1 . . . A 18 ILE CD1 . 19547 1 213 . 1 1 18 18 ILE N N 15 118.660 0.000 . 1 . . . A 18 ILE N . 19547 1 214 . 1 1 19 19 THR H H 1 8.922 0.003 . 1 . . . A 19 THR H . 19547 1 215 . 1 1 19 19 THR HA H 1 5.104 0.012 . 1 . . . A 19 THR HA . 19547 1 216 . 1 1 19 19 THR HB H 1 3.804 0.006 . 1 . . . A 19 THR HB . 19547 1 217 . 1 1 19 19 THR HG21 H 1 0.992 0.008 . 1 . . . A 19 THR HG21 . 19547 1 218 . 1 1 19 19 THR HG22 H 1 0.992 0.008 . 1 . . . A 19 THR HG22 . 19547 1 219 . 1 1 19 19 THR HG23 H 1 0.992 0.008 . 1 . . . A 19 THR HG23 . 19547 1 220 . 1 1 19 19 THR CA C 13 60.949 0.095 . 1 . . . A 19 THR CA . 19547 1 221 . 1 1 19 19 THR CB C 13 71.669 0.017 . 1 . . . A 19 THR CB . 19547 1 222 . 1 1 19 19 THR CG2 C 13 21.605 0.023 . 1 . . . A 19 THR CG2 . 19547 1 223 . 1 1 19 19 THR N N 15 122.893 0.023 . 1 . . . A 19 THR N . 19547 1 224 . 1 1 20 20 ILE H H 1 8.930 0.006 . 1 . . . A 20 ILE H . 19547 1 225 . 1 1 20 20 ILE HA H 1 4.841 0.005 . 1 . . . A 20 ILE HA . 19547 1 226 . 1 1 20 20 ILE HB H 1 1.572 0.012 . 1 . . . A 20 ILE HB . 19547 1 227 . 1 1 20 20 ILE HG12 H 1 1.202 0.013 . 2 . . . A 20 ILE HG12 . 19547 1 228 . 1 1 20 20 ILE HG13 H 1 0.875 0.011 . 2 . . . A 20 ILE HG13 . 19547 1 229 . 1 1 20 20 ILE HG21 H 1 0.533 0.006 . 1 . . . A 20 ILE HG21 . 19547 1 230 . 1 1 20 20 ILE HG22 H 1 0.533 0.006 . 1 . . . A 20 ILE HG22 . 19547 1 231 . 1 1 20 20 ILE HG23 H 1 0.533 0.006 . 1 . . . A 20 ILE HG23 . 19547 1 232 . 1 1 20 20 ILE HD11 H 1 0.518 0.007 . 1 . . . A 20 ILE HD11 . 19547 1 233 . 1 1 20 20 ILE HD12 H 1 0.518 0.007 . 1 . . . A 20 ILE HD12 . 19547 1 234 . 1 1 20 20 ILE HD13 H 1 0.518 0.007 . 1 . . . A 20 ILE HD13 . 19547 1 235 . 1 1 20 20 ILE CA C 13 58.930 0.059 . 1 . . . A 20 ILE CA . 19547 1 236 . 1 1 20 20 ILE CB C 13 40.300 0.033 . 1 . . . A 20 ILE CB . 19547 1 237 . 1 1 20 20 ILE CG1 C 13 27.339 0.038 . 1 . . . A 20 ILE CG1 . 19547 1 238 . 1 1 20 20 ILE CG2 C 13 17.146 0.052 . 1 . . . A 20 ILE CG2 . 19547 1 239 . 1 1 20 20 ILE CD1 C 13 14.082 0.145 . 1 . . . A 20 ILE CD1 . 19547 1 240 . 1 1 20 20 ILE N N 15 123.852 0.063 . 1 . . . A 20 ILE N . 19547 1 241 . 1 1 21 21 THR H H 1 9.372 0.008 . 1 . . . A 21 THR H . 19547 1 242 . 1 1 21 21 THR HA H 1 4.821 0.007 . 1 . . . A 21 THR HA . 19547 1 243 . 1 1 21 21 THR HB H 1 3.260 0.015 . 1 . . . A 21 THR HB . 19547 1 244 . 1 1 21 21 THR HG21 H 1 0.809 0.010 . 1 . . . A 21 THR HG21 . 19547 1 245 . 1 1 21 21 THR HG22 H 1 0.809 0.010 . 1 . . . A 21 THR HG22 . 19547 1 246 . 1 1 21 21 THR HG23 H 1 0.809 0.010 . 1 . . . A 21 THR HG23 . 19547 1 247 . 1 1 21 21 THR CA C 13 61.436 0.099 . 1 . . . A 21 THR CA . 19547 1 248 . 1 1 21 21 THR CB C 13 71.939 0.027 . 1 . . . A 21 THR CB . 19547 1 249 . 1 1 21 21 THR CG2 C 13 21.135 0.050 . 1 . . . A 21 THR CG2 . 19547 1 250 . 1 1 21 21 THR N N 15 123.855 0.012 . 1 . . . A 21 THR N . 19547 1 251 . 1 1 22 22 ILE H H 1 8.107 0.005 . 1 . . . A 22 ILE H . 19547 1 252 . 1 1 22 22 ILE HA H 1 4.092 0.009 . 1 . . . A 22 ILE HA . 19547 1 253 . 1 1 22 22 ILE HB H 1 2.446 0.021 . 1 . . . A 22 ILE HB . 19547 1 254 . 1 1 22 22 ILE HG12 H 1 1.525 0.011 . 2 . . . A 22 ILE HG12 . 19547 1 255 . 1 1 22 22 ILE HG13 H 1 0.997 0.005 . 2 . . . A 22 ILE HG13 . 19547 1 256 . 1 1 22 22 ILE HG21 H 1 0.693 0.003 . 1 . . . A 22 ILE HG21 . 19547 1 257 . 1 1 22 22 ILE HG22 H 1 0.693 0.003 . 1 . . . A 22 ILE HG22 . 19547 1 258 . 1 1 22 22 ILE HG23 H 1 0.693 0.003 . 1 . . . A 22 ILE HG23 . 19547 1 259 . 1 1 22 22 ILE HD11 H 1 0.458 0.022 . 1 . . . A 22 ILE HD11 . 19547 1 260 . 1 1 22 22 ILE HD12 H 1 0.458 0.022 . 1 . . . A 22 ILE HD12 . 19547 1 261 . 1 1 22 22 ILE HD13 H 1 0.458 0.022 . 1 . . . A 22 ILE HD13 . 19547 1 262 . 1 1 22 22 ILE CA C 13 59.103 0.065 . 1 . . . A 22 ILE CA . 19547 1 263 . 1 1 22 22 ILE CB C 13 33.852 0.028 . 1 . . . A 22 ILE CB . 19547 1 264 . 1 1 22 22 ILE CG1 C 13 26.682 0.105 . 1 . . . A 22 ILE CG1 . 19547 1 265 . 1 1 22 22 ILE CG2 C 13 18.352 0.024 . 1 . . . A 22 ILE CG2 . 19547 1 266 . 1 1 22 22 ILE CD1 C 13 8.867 0.024 . 1 . . . A 22 ILE CD1 . 19547 1 267 . 1 1 22 22 ILE N N 15 125.561 0.015 . 1 . . . A 22 ILE N . 19547 1 268 . 1 1 23 23 LEU H H 1 8.910 0.007 . 1 . . . A 23 LEU H . 19547 1 269 . 1 1 23 23 LEU HA H 1 4.267 0.007 . 1 . . . A 23 LEU HA . 19547 1 270 . 1 1 23 23 LEU HB2 H 1 1.386 0.007 . 2 . . . A 23 LEU HB2 . 19547 1 271 . 1 1 23 23 LEU HB3 H 1 1.271 0.016 . 2 . . . A 23 LEU HB3 . 19547 1 272 . 1 1 23 23 LEU HG H 1 1.375 0.011 . 1 . . . A 23 LEU HG . 19547 1 273 . 1 1 23 23 LEU HD11 H 1 0.546 0.010 . 2 . . . A 23 LEU HD11 . 19547 1 274 . 1 1 23 23 LEU HD12 H 1 0.546 0.010 . 2 . . . A 23 LEU HD12 . 19547 1 275 . 1 1 23 23 LEU HD13 H 1 0.546 0.010 . 2 . . . A 23 LEU HD13 . 19547 1 276 . 1 1 23 23 LEU HD21 H 1 0.116 0.007 . 2 . . . A 23 LEU HD21 . 19547 1 277 . 1 1 23 23 LEU HD22 H 1 0.116 0.007 . 2 . . . A 23 LEU HD22 . 19547 1 278 . 1 1 23 23 LEU HD23 H 1 0.116 0.007 . 2 . . . A 23 LEU HD23 . 19547 1 279 . 1 1 23 23 LEU CA C 13 55.490 0.149 . 1 . . . A 23 LEU CA . 19547 1 280 . 1 1 23 23 LEU CB C 13 42.233 0.094 . 1 . . . A 23 LEU CB . 19547 1 281 . 1 1 23 23 LEU CG C 13 26.534 0.140 . 1 . . . A 23 LEU CG . 19547 1 282 . 1 1 23 23 LEU CD1 C 13 25.950 0.085 . 2 . . . A 23 LEU CD1 . 19547 1 283 . 1 1 23 23 LEU CD2 C 13 21.165 0.044 . 2 . . . A 23 LEU CD2 . 19547 1 284 . 1 1 23 23 LEU N N 15 129.208 0.036 . 1 . . . A 23 LEU N . 19547 1 285 . 1 1 24 24 GLY H H 1 7.493 0.018 . 1 . . . A 24 GLY H . 19547 1 286 . 1 1 24 24 GLY HA2 H 1 4.134 0.008 . 2 . . . A 24 GLY HA2 . 19547 1 287 . 1 1 24 24 GLY HA3 H 1 3.986 0.005 . 2 . . . A 24 GLY HA3 . 19547 1 288 . 1 1 24 24 GLY CA C 13 45.968 0.053 . 1 . . . A 24 GLY CA . 19547 1 289 . 1 1 24 24 GLY N N 15 104.396 0.028 . 1 . . . A 24 GLY N . 19547 1 290 . 1 1 25 25 VAL H H 1 8.406 0.009 . 1 . . . A 25 VAL H . 19547 1 291 . 1 1 25 25 VAL HA H 1 4.621 0.000 . 1 . . . A 25 VAL HA . 19547 1 292 . 1 1 25 25 VAL HB H 1 1.766 0.004 . 1 . . . A 25 VAL HB . 19547 1 293 . 1 1 25 25 VAL HG11 H 1 0.692 0.013 . 2 . . . A 25 VAL HG11 . 19547 1 294 . 1 1 25 25 VAL HG12 H 1 0.692 0.013 . 2 . . . A 25 VAL HG12 . 19547 1 295 . 1 1 25 25 VAL HG13 H 1 0.692 0.013 . 2 . . . A 25 VAL HG13 . 19547 1 296 . 1 1 25 25 VAL HG21 H 1 0.754 0.013 . 2 . . . A 25 VAL HG21 . 19547 1 297 . 1 1 25 25 VAL HG22 H 1 0.754 0.013 . 2 . . . A 25 VAL HG22 . 19547 1 298 . 1 1 25 25 VAL HG23 H 1 0.754 0.013 . 2 . . . A 25 VAL HG23 . 19547 1 299 . 1 1 25 25 VAL CA C 13 61.523 0.000 . 1 . . . A 25 VAL CA . 19547 1 300 . 1 1 25 25 VAL CB C 13 35.733 0.105 . 1 . . . A 25 VAL CB . 19547 1 301 . 1 1 25 25 VAL CG1 C 13 21.486 0.035 . 2 . . . A 25 VAL CG1 . 19547 1 302 . 1 1 25 25 VAL CG2 C 13 21.952 0.046 . 2 . . . A 25 VAL CG2 . 19547 1 303 . 1 1 25 25 VAL N N 15 120.463 0.020 . 1 . . . A 25 VAL N . 19547 1 304 . 1 1 26 26 SER H H 1 8.545 0.003 . 1 . . . A 26 SER H . 19547 1 305 . 1 1 26 26 SER HA H 1 4.612 0.000 . 1 . . . A 26 SER HA . 19547 1 306 . 1 1 26 26 SER HB2 H 1 3.706 0.019 . 2 . . . A 26 SER HB2 . 19547 1 307 . 1 1 26 26 SER HB3 H 1 3.632 0.009 . 2 . . . A 26 SER HB3 . 19547 1 308 . 1 1 26 26 SER CA C 13 56.564 0.000 . 1 . . . A 26 SER CA . 19547 1 309 . 1 1 26 26 SER CB C 13 63.858 0.201 . 1 . . . A 26 SER CB . 19547 1 310 . 1 1 26 26 SER N N 15 121.835 0.012 . 1 . . . A 26 SER N . 19547 1 311 . 1 1 27 27 GLY H H 1 8.714 0.015 . 1 . . . A 27 GLY H . 19547 1 312 . 1 1 27 27 GLY HA2 H 1 3.664 0.010 . 2 . . . A 27 GLY HA2 . 19547 1 313 . 1 1 27 27 GLY HA3 H 1 4.084 0.005 . 2 . . . A 27 GLY HA3 . 19547 1 314 . 1 1 27 27 GLY CA C 13 47.427 0.058 . 1 . . . A 27 GLY CA . 19547 1 315 . 1 1 27 27 GLY N N 15 118.379 0.091 . 1 . . . A 27 GLY N . 19547 1 316 . 1 1 28 28 GLN H H 1 9.208 0.043 . 1 . . . A 28 GLN H . 19547 1 317 . 1 1 28 28 GLN HA H 1 4.289 0.006 . 1 . . . A 28 GLN HA . 19547 1 318 . 1 1 28 28 GLN HB2 H 1 2.311 0.020 . 2 . . . A 28 GLN HB2 . 19547 1 319 . 1 1 28 28 GLN HB3 H 1 1.996 0.010 . 2 . . . A 28 GLN HB3 . 19547 1 320 . 1 1 28 28 GLN HG2 H 1 2.355 0.006 . 2 . . . A 28 GLN HG2 . 19547 1 321 . 1 1 28 28 GLN HG3 H 1 2.355 0.006 . 2 . . . A 28 GLN HG3 . 19547 1 322 . 1 1 28 28 GLN HE21 H 1 6.823 0.010 . 2 . . . A 28 GLN HE21 . 19547 1 323 . 1 1 28 28 GLN HE22 H 1 7.666 0.006 . 2 . . . A 28 GLN HE22 . 19547 1 324 . 1 1 28 28 GLN CA C 13 54.999 0.036 . 1 . . . A 28 GLN CA . 19547 1 325 . 1 1 28 28 GLN CB C 13 29.944 0.157 . 1 . . . A 28 GLN CB . 19547 1 326 . 1 1 28 28 GLN CG C 13 34.376 0.021 . 1 . . . A 28 GLN CG . 19547 1 327 . 1 1 28 28 GLN N N 15 124.776 0.099 . 1 . . . A 28 GLN N . 19547 1 328 . 1 1 28 28 GLN NE2 N 15 113.227 0.069 . 1 . . . A 28 GLN NE2 . 19547 1 329 . 1 1 29 29 GLN H H 1 8.423 0.019 . 1 . . . A 29 GLN H . 19547 1 330 . 1 1 29 29 GLN HA H 1 4.572 0.074 . 1 . . . A 29 GLN HA . 19547 1 331 . 1 1 29 29 GLN HB2 H 1 2.202 0.011 . 2 . . . A 29 GLN HB2 . 19547 1 332 . 1 1 29 29 GLN HB3 H 1 2.131 0.024 . 2 . . . A 29 GLN HB3 . 19547 1 333 . 1 1 29 29 GLN HG2 H 1 2.308 0.005 . 2 . . . A 29 GLN HG2 . 19547 1 334 . 1 1 29 29 GLN HG3 H 1 2.230 0.010 . 2 . . . A 29 GLN HG3 . 19547 1 335 . 1 1 29 29 GLN CB C 13 31.386 0.202 . 1 . . . A 29 GLN CB . 19547 1 336 . 1 1 29 29 GLN CG C 13 34.345 0.032 . 1 . . . A 29 GLN CG . 19547 1 337 . 1 1 29 29 GLN N N 15 118.507 0.058 . 1 . . . A 29 GLN N . 19547 1 338 . 1 1 30 30 VAL H H 1 9.304 0.014 . 1 . . . A 30 VAL H . 19547 1 339 . 1 1 30 30 VAL HA H 1 4.556 0.029 . 1 . . . A 30 VAL HA . 19547 1 340 . 1 1 30 30 VAL HB H 1 1.944 0.005 . 1 . . . A 30 VAL HB . 19547 1 341 . 1 1 30 30 VAL HG11 H 1 0.894 0.009 . 2 . . . A 30 VAL HG11 . 19547 1 342 . 1 1 30 30 VAL HG12 H 1 0.894 0.009 . 2 . . . A 30 VAL HG12 . 19547 1 343 . 1 1 30 30 VAL HG13 H 1 0.894 0.009 . 2 . . . A 30 VAL HG13 . 19547 1 344 . 1 1 30 30 VAL HG21 H 1 0.830 0.008 . 2 . . . A 30 VAL HG21 . 19547 1 345 . 1 1 30 30 VAL HG22 H 1 0.830 0.008 . 2 . . . A 30 VAL HG22 . 19547 1 346 . 1 1 30 30 VAL HG23 H 1 0.830 0.008 . 2 . . . A 30 VAL HG23 . 19547 1 347 . 1 1 30 30 VAL CA C 13 60.611 0.000 . 1 . . . A 30 VAL CA . 19547 1 348 . 1 1 30 30 VAL CB C 13 34.293 0.192 . 1 . . . A 30 VAL CB . 19547 1 349 . 1 1 30 30 VAL CG1 C 13 22.557 0.049 . 2 . . . A 30 VAL CG1 . 19547 1 350 . 1 1 30 30 VAL CG2 C 13 22.693 0.035 . 2 . . . A 30 VAL CG2 . 19547 1 351 . 1 1 30 30 VAL N N 15 126.854 0.000 . 1 . . . A 30 VAL N . 19547 1 352 . 1 1 31 31 ARG H H 1 8.683 0.004 . 1 . . . A 31 ARG H . 19547 1 353 . 1 1 31 31 ARG HA H 1 4.609 0.000 . 1 . . . A 31 ARG HA . 19547 1 354 . 1 1 31 31 ARG HB2 H 1 1.478 0.016 . 2 . . . A 31 ARG HB2 . 19547 1 355 . 1 1 31 31 ARG HB3 H 1 1.439 0.010 . 2 . . . A 31 ARG HB3 . 19547 1 356 . 1 1 31 31 ARG HG2 H 1 1.429 0.001 . 2 . . . A 31 ARG HG2 . 19547 1 357 . 1 1 31 31 ARG HG3 H 1 1.525 0.000 . 2 . . . A 31 ARG HG3 . 19547 1 358 . 1 1 31 31 ARG HD2 H 1 2.949 0.021 . 2 . . . A 31 ARG HD2 . 19547 1 359 . 1 1 31 31 ARG HD3 H 1 3.090 0.000 . 2 . . . A 31 ARG HD3 . 19547 1 360 . 1 1 31 31 ARG HE H 1 7.437 0.013 . 1 . . . A 31 ARG HE . 19547 1 361 . 1 1 31 31 ARG CA C 13 55.568 0.000 . 1 . . . A 31 ARG CA . 19547 1 362 . 1 1 31 31 ARG CB C 13 31.531 0.111 . 1 . . . A 31 ARG CB . 19547 1 363 . 1 1 31 31 ARG CG C 13 28.419 0.025 . 1 . . . A 31 ARG CG . 19547 1 364 . 1 1 31 31 ARG CD C 13 43.315 0.195 . 1 . . . A 31 ARG CD . 19547 1 365 . 1 1 31 31 ARG N N 15 127.878 0.037 . 1 . . . A 31 ARG N . 19547 1 366 . 1 1 31 31 ARG NE N 15 82.194 0.083 . 1 . . . A 31 ARG NE . 19547 1 367 . 1 1 32 32 ILE H H 1 8.958 0.019 . 1 . . . A 32 ILE H . 19547 1 368 . 1 1 32 32 ILE HB H 1 1.655 0.017 . 1 . . . A 32 ILE HB . 19547 1 369 . 1 1 32 32 ILE HG12 H 1 1.363 0.017 . 2 . . . A 32 ILE HG12 . 19547 1 370 . 1 1 32 32 ILE HG13 H 1 0.789 0.014 . 2 . . . A 32 ILE HG13 . 19547 1 371 . 1 1 32 32 ILE HG21 H 1 0.553 0.009 . 1 . . . A 32 ILE HG21 . 19547 1 372 . 1 1 32 32 ILE HG22 H 1 0.553 0.009 . 1 . . . A 32 ILE HG22 . 19547 1 373 . 1 1 32 32 ILE HG23 H 1 0.553 0.009 . 1 . . . A 32 ILE HG23 . 19547 1 374 . 1 1 32 32 ILE HD11 H 1 0.517 0.009 . 1 . . . A 32 ILE HD11 . 19547 1 375 . 1 1 32 32 ILE HD12 H 1 0.517 0.009 . 1 . . . A 32 ILE HD12 . 19547 1 376 . 1 1 32 32 ILE HD13 H 1 0.517 0.009 . 1 . . . A 32 ILE HD13 . 19547 1 377 . 1 1 32 32 ILE CB C 13 40.655 0.101 . 1 . . . A 32 ILE CB . 19547 1 378 . 1 1 32 32 ILE CG1 C 13 28.065 0.097 . 1 . . . A 32 ILE CG1 . 19547 1 379 . 1 1 32 32 ILE CG2 C 13 18.210 0.195 . 1 . . . A 32 ILE CG2 . 19547 1 380 . 1 1 32 32 ILE CD1 C 13 14.069 0.187 . 1 . . . A 32 ILE CD1 . 19547 1 381 . 1 1 32 32 ILE N N 15 127.071 0.059 . 1 . . . A 32 ILE N . 19547 1 382 . 1 1 33 33 GLY H H 1 9.114 0.008 . 1 . . . A 33 GLY H . 19547 1 383 . 1 1 33 33 GLY HA2 H 1 5.032 0.009 . 2 . . . A 33 GLY HA2 . 19547 1 384 . 1 1 33 33 GLY HA3 H 1 3.507 0.011 . 2 . . . A 33 GLY HA3 . 19547 1 385 . 1 1 33 33 GLY CA C 13 44.575 0.039 . 1 . . . A 33 GLY CA . 19547 1 386 . 1 1 33 33 GLY N N 15 112.801 0.019 . 1 . . . A 33 GLY N . 19547 1 387 . 1 1 34 34 ILE H H 1 9.566 0.015 . 1 . . . A 34 ILE H . 19547 1 388 . 1 1 34 34 ILE HA H 1 4.803 0.014 . 1 . . . A 34 ILE HA . 19547 1 389 . 1 1 34 34 ILE HB H 1 1.463 0.010 . 1 . . . A 34 ILE HB . 19547 1 390 . 1 1 34 34 ILE HG12 H 1 1.256 0.009 . 2 . . . A 34 ILE HG12 . 19547 1 391 . 1 1 34 34 ILE HG13 H 1 0.767 0.010 . 2 . . . A 34 ILE HG13 . 19547 1 392 . 1 1 34 34 ILE HG21 H 1 0.598 0.006 . 1 . . . A 34 ILE HG21 . 19547 1 393 . 1 1 34 34 ILE HG22 H 1 0.598 0.006 . 1 . . . A 34 ILE HG22 . 19547 1 394 . 1 1 34 34 ILE HG23 H 1 0.598 0.006 . 1 . . . A 34 ILE HG23 . 19547 1 395 . 1 1 34 34 ILE HD11 H 1 0.532 0.020 . 1 . . . A 34 ILE HD11 . 19547 1 396 . 1 1 34 34 ILE HD12 H 1 0.532 0.020 . 1 . . . A 34 ILE HD12 . 19547 1 397 . 1 1 34 34 ILE HD13 H 1 0.532 0.020 . 1 . . . A 34 ILE HD13 . 19547 1 398 . 1 1 34 34 ILE CA C 13 60.793 0.041 . 1 . . . A 34 ILE CA . 19547 1 399 . 1 1 34 34 ILE CB C 13 41.099 0.060 . 1 . . . A 34 ILE CB . 19547 1 400 . 1 1 34 34 ILE CG1 C 13 29.128 0.121 . 1 . . . A 34 ILE CG1 . 19547 1 401 . 1 1 34 34 ILE CG2 C 13 18.724 0.100 . 1 . . . A 34 ILE CG2 . 19547 1 402 . 1 1 34 34 ILE CD1 C 13 15.897 0.058 . 1 . . . A 34 ILE CD1 . 19547 1 403 . 1 1 34 34 ILE N N 15 125.117 0.030 . 1 . . . A 34 ILE N . 19547 1 404 . 1 1 35 35 ASN H H 1 8.908 0.010 . 1 . . . A 35 ASN H . 19547 1 405 . 1 1 35 35 ASN HA H 1 5.079 0.004 . 1 . . . A 35 ASN HA . 19547 1 406 . 1 1 35 35 ASN HB2 H 1 2.788 0.007 . 2 . . . A 35 ASN HB2 . 19547 1 407 . 1 1 35 35 ASN HB3 H 1 2.535 0.008 . 2 . . . A 35 ASN HB3 . 19547 1 408 . 1 1 35 35 ASN HD21 H 1 6.729 0.002 . 2 . . . A 35 ASN HD21 . 19547 1 409 . 1 1 35 35 ASN HD22 H 1 7.324 0.001 . 2 . . . A 35 ASN HD22 . 19547 1 410 . 1 1 35 35 ASN CA C 13 52.186 0.069 . 1 . . . A 35 ASN CA . 19547 1 411 . 1 1 35 35 ASN CB C 13 40.316 0.116 . 1 . . . A 35 ASN CB . 19547 1 412 . 1 1 35 35 ASN N N 15 129.274 0.065 . 1 . . . A 35 ASN N . 19547 1 413 . 1 1 35 35 ASN ND2 N 15 112.568 0.070 . 1 . . . A 35 ASN ND2 . 19547 1 414 . 1 1 36 36 ALA H H 1 8.241 0.003 . 1 . . . A 36 ALA H . 19547 1 415 . 1 1 36 36 ALA HA H 1 5.062 0.006 . 1 . . . A 36 ALA HA . 19547 1 416 . 1 1 36 36 ALA HB1 H 1 1.054 0.009 . 1 . . . A 36 ALA HB1 . 19547 1 417 . 1 1 36 36 ALA HB2 H 1 1.054 0.009 . 1 . . . A 36 ALA HB2 . 19547 1 418 . 1 1 36 36 ALA HB3 H 1 1.054 0.009 . 1 . . . A 36 ALA HB3 . 19547 1 419 . 1 1 36 36 ALA CA C 13 49.349 0.000 . 1 . . . A 36 ALA CA . 19547 1 420 . 1 1 36 36 ALA CB C 13 19.901 0.034 . 1 . . . A 36 ALA CB . 19547 1 421 . 1 1 36 36 ALA N N 15 125.590 0.037 . 1 . . . A 36 ALA N . 19547 1 422 . 1 1 37 37 PRO HA H 1 4.405 0.004 . 1 . . . A 37 PRO HA . 19547 1 423 . 1 1 37 37 PRO HB2 H 1 2.414 0.010 . 2 . . . A 37 PRO HB2 . 19547 1 424 . 1 1 37 37 PRO HG2 H 1 2.080 0.012 . 2 . . . A 37 PRO HG2 . 19547 1 425 . 1 1 37 37 PRO HG3 H 1 1.927 0.010 . 2 . . . A 37 PRO HG3 . 19547 1 426 . 1 1 37 37 PRO HD2 H 1 3.940 0.011 . 2 . . . A 37 PRO HD2 . 19547 1 427 . 1 1 37 37 PRO HD3 H 1 3.050 0.006 . 2 . . . A 37 PRO HD3 . 19547 1 428 . 1 1 37 37 PRO CA C 13 62.896 0.000 . 1 . . . A 37 PRO CA . 19547 1 429 . 1 1 37 37 PRO CB C 13 32.402 0.056 . 1 . . . A 37 PRO CB . 19547 1 430 . 1 1 37 37 PRO CG C 13 28.036 0.103 . 1 . . . A 37 PRO CG . 19547 1 431 . 1 1 37 37 PRO CD C 13 50.489 0.001 . 1 . . . A 37 PRO CD . 19547 1 432 . 1 1 38 38 LYS H H 1 8.549 0.009 . 1 . . . A 38 LYS H . 19547 1 433 . 1 1 38 38 LYS HA H 1 3.763 0.007 . 1 . . . A 38 LYS HA . 19547 1 434 . 1 1 38 38 LYS HB2 H 1 1.698 0.007 . 2 . . . A 38 LYS HB2 . 19547 1 435 . 1 1 38 38 LYS HG2 H 1 1.420 0.011 . 2 . . . A 38 LYS HG2 . 19547 1 436 . 1 1 38 38 LYS HG3 H 1 1.371 0.001 . 2 . . . A 38 LYS HG3 . 19547 1 437 . 1 1 38 38 LYS HD2 H 1 1.541 0.008 . 2 . . . A 38 LYS HD2 . 19547 1 438 . 1 1 38 38 LYS HD3 H 1 1.515 0.006 . 2 . . . A 38 LYS HD3 . 19547 1 439 . 1 1 38 38 LYS HE2 H 1 2.911 0.009 . 2 . . . A 38 LYS HE2 . 19547 1 440 . 1 1 38 38 LYS HE3 H 1 2.911 0.009 . 2 . . . A 38 LYS HE3 . 19547 1 441 . 1 1 38 38 LYS CA C 13 58.832 0.088 . 1 . . . A 38 LYS CA . 19547 1 442 . 1 1 38 38 LYS CB C 13 31.928 0.090 . 1 . . . A 38 LYS CB . 19547 1 443 . 1 1 38 38 LYS CG C 13 25.016 0.109 . 1 . . . A 38 LYS CG . 19547 1 444 . 1 1 38 38 LYS CD C 13 28.419 0.058 . 1 . . . A 38 LYS CD . 19547 1 445 . 1 1 38 38 LYS CE C 13 42.007 0.013 . 1 . . . A 38 LYS CE . 19547 1 446 . 1 1 38 38 LYS N N 15 120.951 0.000 . 1 . . . A 38 LYS N . 19547 1 447 . 1 1 39 39 ASP H H 1 8.126 0.010 . 1 . . . A 39 ASP H . 19547 1 448 . 1 1 39 39 ASP HA H 1 4.346 0.005 . 1 . . . A 39 ASP HA . 19547 1 449 . 1 1 39 39 ASP HB2 H 1 2.639 0.023 . 2 . . . A 39 ASP HB2 . 19547 1 450 . 1 1 39 39 ASP HB3 H 1 2.554 0.016 . 2 . . . A 39 ASP HB3 . 19547 1 451 . 1 1 39 39 ASP CA C 13 54.069 0.034 . 1 . . . A 39 ASP CA . 19547 1 452 . 1 1 39 39 ASP CB C 13 39.874 0.127 . 1 . . . A 39 ASP CB . 19547 1 453 . 1 1 39 39 ASP N N 15 113.835 0.070 . 1 . . . A 39 ASP N . 19547 1 454 . 1 1 40 40 VAL H H 1 8.002 0.000 . 1 . . . A 40 VAL H . 19547 1 455 . 1 1 40 40 VAL HA H 1 3.962 0.004 . 1 . . . A 40 VAL HA . 19547 1 456 . 1 1 40 40 VAL HB H 1 2.045 0.008 . 1 . . . A 40 VAL HB . 19547 1 457 . 1 1 40 40 VAL HG11 H 1 0.795 0.009 . 2 . . . A 40 VAL HG11 . 19547 1 458 . 1 1 40 40 VAL HG12 H 1 0.795 0.009 . 2 . . . A 40 VAL HG12 . 19547 1 459 . 1 1 40 40 VAL HG13 H 1 0.795 0.009 . 2 . . . A 40 VAL HG13 . 19547 1 460 . 1 1 40 40 VAL HG21 H 1 0.664 0.036 . 2 . . . A 40 VAL HG21 . 19547 1 461 . 1 1 40 40 VAL HG22 H 1 0.664 0.036 . 2 . . . A 40 VAL HG22 . 19547 1 462 . 1 1 40 40 VAL HG23 H 1 0.664 0.036 . 2 . . . A 40 VAL HG23 . 19547 1 463 . 1 1 40 40 VAL CA C 13 61.925 0.026 . 1 . . . A 40 VAL CA . 19547 1 464 . 1 1 40 40 VAL CB C 13 31.845 0.048 . 1 . . . A 40 VAL CB . 19547 1 465 . 1 1 40 40 VAL CG1 C 13 21.243 0.030 . 2 . . . A 40 VAL CG1 . 19547 1 466 . 1 1 40 40 VAL CG2 C 13 21.029 0.080 . 2 . . . A 40 VAL CG2 . 19547 1 467 . 1 1 40 40 VAL N N 15 122.591 0.030 . 1 . . . A 40 VAL N . 19547 1 468 . 1 1 41 41 ALA H H 1 8.884 0.005 . 1 . . . A 41 ALA H . 19547 1 469 . 1 1 41 41 ALA HA H 1 4.438 0.004 . 1 . . . A 41 ALA HA . 19547 1 470 . 1 1 41 41 ALA HB1 H 1 1.304 0.009 . 1 . . . A 41 ALA HB1 . 19547 1 471 . 1 1 41 41 ALA HB2 H 1 1.304 0.009 . 1 . . . A 41 ALA HB2 . 19547 1 472 . 1 1 41 41 ALA HB3 H 1 1.304 0.009 . 1 . . . A 41 ALA HB3 . 19547 1 473 . 1 1 41 41 ALA CA C 13 52.191 0.000 . 1 . . . A 41 ALA CA . 19547 1 474 . 1 1 41 41 ALA CB C 13 19.050 0.065 . 1 . . . A 41 ALA CB . 19547 1 475 . 1 1 41 41 ALA N N 15 133.626 0.021 . 1 . . . A 41 ALA N . 19547 1 476 . 1 1 42 42 VAL H H 1 7.812 0.012 . 1 . . . A 42 VAL H . 19547 1 477 . 1 1 42 42 VAL HA H 1 4.402 0.018 . 1 . . . A 42 VAL HA . 19547 1 478 . 1 1 42 42 VAL HB H 1 1.104 0.011 . 1 . . . A 42 VAL HB . 19547 1 479 . 1 1 42 42 VAL HG11 H 1 0.572 0.012 . 2 . . . A 42 VAL HG11 . 19547 1 480 . 1 1 42 42 VAL HG12 H 1 0.572 0.012 . 2 . . . A 42 VAL HG12 . 19547 1 481 . 1 1 42 42 VAL HG13 H 1 0.572 0.012 . 2 . . . A 42 VAL HG13 . 19547 1 482 . 1 1 42 42 VAL HG21 H 1 0.325 0.010 . 2 . . . A 42 VAL HG21 . 19547 1 483 . 1 1 42 42 VAL HG22 H 1 0.325 0.010 . 2 . . . A 42 VAL HG22 . 19547 1 484 . 1 1 42 42 VAL HG23 H 1 0.325 0.010 . 2 . . . A 42 VAL HG23 . 19547 1 485 . 1 1 42 42 VAL CA C 13 60.561 0.037 . 1 . . . A 42 VAL CA . 19547 1 486 . 1 1 42 42 VAL CB C 13 33.611 0.064 . 1 . . . A 42 VAL CB . 19547 1 487 . 1 1 42 42 VAL CG1 C 13 20.192 0.042 . 2 . . . A 42 VAL CG1 . 19547 1 488 . 1 1 42 42 VAL CG2 C 13 22.026 0.034 . 2 . . . A 42 VAL CG2 . 19547 1 489 . 1 1 42 42 VAL N N 15 124.906 0.008 . 1 . . . A 42 VAL N . 19547 1 490 . 1 1 43 43 HIS H H 1 8.652 0.012 . 1 . . . A 43 HIS H . 19547 1 491 . 1 1 43 43 HIS HA H 1 5.459 0.012 . 1 . . . A 43 HIS HA . 19547 1 492 . 1 1 43 43 HIS HB2 H 1 3.302 0.014 . 2 . . . A 43 HIS HB2 . 19547 1 493 . 1 1 43 43 HIS HB3 H 1 2.551 0.010 . 2 . . . A 43 HIS HB3 . 19547 1 494 . 1 1 43 43 HIS HD2 H 1 6.982 0.018 . 1 . . . A 43 HIS HD2 . 19547 1 495 . 1 1 43 43 HIS HE1 H 1 7.778 0.008 . 1 . . . A 43 HIS HE1 . 19547 1 496 . 1 1 43 43 HIS CA C 13 53.943 0.105 . 1 . . . A 43 HIS CA . 19547 1 497 . 1 1 43 43 HIS CB C 13 37.380 0.130 . 1 . . . A 43 HIS CB . 19547 1 498 . 1 1 43 43 HIS CD2 C 13 117.330 0.000 . 1 . . . A 43 HIS CD2 . 19547 1 499 . 1 1 43 43 HIS CE1 C 13 138.989 0.000 . 1 . . . A 43 HIS CE1 . 19547 1 500 . 1 1 43 43 HIS N N 15 119.082 0.033 . 1 . . . A 43 HIS N . 19547 1 501 . 1 1 44 44 ARG HA H 1 3.949 0.008 . 1 . . . A 44 ARG HA . 19547 1 502 . 1 1 44 44 ARG HD2 H 1 3.309 0.005 . 2 . . . A 44 ARG HD2 . 19547 1 503 . 1 1 44 44 ARG HD3 H 1 3.309 0.005 . 2 . . . A 44 ARG HD3 . 19547 1 504 . 1 1 44 44 ARG HE H 1 5.844 0.000 . 1 . . . A 44 ARG HE . 19547 1 505 . 1 1 44 44 ARG CA C 13 58.374 0.134 . 1 . . . A 44 ARG CA . 19547 1 506 . 1 1 44 44 ARG CD C 13 43.114 0.097 . 1 . . . A 44 ARG CD . 19547 1 507 . 1 1 45 45 GLU H H 1 7.873 0.010 . 1 . . . A 45 GLU H . 19547 1 508 . 1 1 45 45 GLU HA H 1 4.344 0.009 . 1 . . . A 45 GLU HA . 19547 1 509 . 1 1 45 45 GLU HB2 H 1 1.932 0.016 . 2 . . . A 45 GLU HB2 . 19547 1 510 . 1 1 45 45 GLU HB3 H 1 1.932 0.016 . 2 . . . A 45 GLU HB3 . 19547 1 511 . 1 1 45 45 GLU HG2 H 1 2.335 0.061 . 2 . . . A 45 GLU HG2 . 19547 1 512 . 1 1 45 45 GLU HG3 H 1 2.203 0.006 . 2 . . . A 45 GLU HG3 . 19547 1 513 . 1 1 45 45 GLU CA C 13 59.920 0.136 . 1 . . . A 45 GLU CA . 19547 1 514 . 1 1 45 45 GLU CB C 13 30.080 0.080 . 1 . . . A 45 GLU CB . 19547 1 515 . 1 1 45 45 GLU CG C 13 35.744 0.105 . 1 . . . A 45 GLU CG . 19547 1 516 . 1 1 45 45 GLU N N 15 126.045 0.039 . 1 . . . A 45 GLU N . 19547 1 517 . 1 1 46 46 GLU H H 1 10.810 0.013 . 1 . . . A 46 GLU H . 19547 1 518 . 1 1 46 46 GLU HA H 1 4.248 0.012 . 1 . . . A 46 GLU HA . 19547 1 519 . 1 1 46 46 GLU HB2 H 1 2.223 0.009 . 2 . . . A 46 GLU HB2 . 19547 1 520 . 1 1 46 46 GLU HB3 H 1 1.915 0.023 . 2 . . . A 46 GLU HB3 . 19547 1 521 . 1 1 46 46 GLU HG2 H 1 2.554 0.006 . 2 . . . A 46 GLU HG2 . 19547 1 522 . 1 1 46 46 GLU HG3 H 1 2.188 0.004 . 2 . . . A 46 GLU HG3 . 19547 1 523 . 1 1 46 46 GLU CA C 13 58.767 0.117 . 1 . . . A 46 GLU CA . 19547 1 524 . 1 1 46 46 GLU CB C 13 27.225 0.058 . 1 . . . A 46 GLU CB . 19547 1 525 . 1 1 46 46 GLU CG C 13 35.099 0.057 . 1 . . . A 46 GLU CG . 19547 1 526 . 1 1 46 46 GLU N N 15 118.418 0.034 . 1 . . . A 46 GLU N . 19547 1 527 . 1 1 47 47 ILE H H 1 7.221 0.011 . 1 . . . A 47 ILE H . 19547 1 528 . 1 1 47 47 ILE HA H 1 3.816 0.007 . 1 . . . A 47 ILE HA . 19547 1 529 . 1 1 47 47 ILE HB H 1 2.220 0.014 . 1 . . . A 47 ILE HB . 19547 1 530 . 1 1 47 47 ILE HG12 H 1 1.394 0.002 . 2 . . . A 47 ILE HG12 . 19547 1 531 . 1 1 47 47 ILE HG13 H 1 1.275 0.040 . 2 . . . A 47 ILE HG13 . 19547 1 532 . 1 1 47 47 ILE HG21 H 1 0.590 0.013 . 1 . . . A 47 ILE HG21 . 19547 1 533 . 1 1 47 47 ILE HG22 H 1 0.590 0.013 . 1 . . . A 47 ILE HG22 . 19547 1 534 . 1 1 47 47 ILE HG23 H 1 0.590 0.013 . 1 . . . A 47 ILE HG23 . 19547 1 535 . 1 1 47 47 ILE HD11 H 1 0.549 0.006 . 1 . . . A 47 ILE HD11 . 19547 1 536 . 1 1 47 47 ILE HD12 H 1 0.549 0.006 . 1 . . . A 47 ILE HD12 . 19547 1 537 . 1 1 47 47 ILE HD13 H 1 0.549 0.006 . 1 . . . A 47 ILE HD13 . 19547 1 538 . 1 1 47 47 ILE CA C 13 61.278 0.056 . 1 . . . A 47 ILE CA . 19547 1 539 . 1 1 47 47 ILE CB C 13 35.483 0.138 . 1 . . . A 47 ILE CB . 19547 1 540 . 1 1 47 47 ILE CG1 C 13 27.033 0.111 . 1 . . . A 47 ILE CG1 . 19547 1 541 . 1 1 47 47 ILE CG2 C 13 17.017 0.000 . 1 . . . A 47 ILE CG2 . 19547 1 542 . 1 1 47 47 ILE CD1 C 13 8.869 0.020 . 1 . . . A 47 ILE CD1 . 19547 1 543 . 1 1 47 47 ILE N N 15 122.170 0.060 . 1 . . . A 47 ILE N . 19547 1 544 . 1 1 48 48 TYR H H 1 8.115 0.012 . 1 . . . A 48 TYR H . 19547 1 545 . 1 1 48 48 TYR HA H 1 3.653 0.008 . 1 . . . A 48 TYR HA . 19547 1 546 . 1 1 48 48 TYR HB2 H 1 3.227 0.011 . 2 . . . A 48 TYR HB2 . 19547 1 547 . 1 1 48 48 TYR HB3 H 1 2.769 0.008 . 2 . . . A 48 TYR HB3 . 19547 1 548 . 1 1 48 48 TYR HD1 H 1 6.908 0.009 . 3 . . . A 48 TYR HD1 . 19547 1 549 . 1 1 48 48 TYR HD2 H 1 6.908 0.009 . 3 . . . A 48 TYR HD2 . 19547 1 550 . 1 1 48 48 TYR HE1 H 1 6.716 0.006 . 3 . . . A 48 TYR HE1 . 19547 1 551 . 1 1 48 48 TYR HE2 H 1 6.716 0.006 . 3 . . . A 48 TYR HE2 . 19547 1 552 . 1 1 48 48 TYR CA C 13 62.020 0.069 . 1 . . . A 48 TYR CA . 19547 1 553 . 1 1 48 48 TYR CB C 13 39.050 0.086 . 1 . . . A 48 TYR CB . 19547 1 554 . 1 1 48 48 TYR CD1 C 13 133.059 0.000 . 3 . . . A 48 TYR CD1 . 19547 1 555 . 1 1 48 48 TYR CE1 C 13 118.325 0.000 . 3 . . . A 48 TYR CE1 . 19547 1 556 . 1 1 48 48 TYR N N 15 122.213 0.050 . 1 . . . A 48 TYR N . 19547 1 557 . 1 1 49 49 GLN H H 1 8.602 0.014 . 1 . . . A 49 GLN H . 19547 1 558 . 1 1 49 49 GLN HA H 1 3.846 0.008 . 1 . . . A 49 GLN HA . 19547 1 559 . 1 1 49 49 GLN HB2 H 1 2.015 0.009 . 2 . . . A 49 GLN HB2 . 19547 1 560 . 1 1 49 49 GLN HG2 H 1 2.486 0.016 . 2 . . . A 49 GLN HG2 . 19547 1 561 . 1 1 49 49 GLN HG3 H 1 2.601 0.007 . 2 . . . A 49 GLN HG3 . 19547 1 562 . 1 1 49 49 GLN HE21 H 1 6.740 0.005 . 2 . . . A 49 GLN HE21 . 19547 1 563 . 1 1 49 49 GLN HE22 H 1 7.479 0.005 . 2 . . . A 49 GLN HE22 . 19547 1 564 . 1 1 49 49 GLN CA C 13 58.445 0.027 . 1 . . . A 49 GLN CA . 19547 1 565 . 1 1 49 49 GLN CB C 13 28.192 0.046 . 1 . . . A 49 GLN CB . 19547 1 566 . 1 1 49 49 GLN CG C 13 33.841 0.089 . 1 . . . A 49 GLN CG . 19547 1 567 . 1 1 49 49 GLN N N 15 115.426 0.000 . 1 . . . A 49 GLN N . 19547 1 568 . 1 1 49 49 GLN NE2 N 15 111.186 0.024 . 1 . . . A 49 GLN NE2 . 19547 1 569 . 1 1 50 50 ARG H H 1 7.171 0.006 . 1 . . . A 50 ARG H . 19547 1 570 . 1 1 50 50 ARG HA H 1 3.990 0.005 . 1 . . . A 50 ARG HA . 19547 1 571 . 1 1 50 50 ARG HB2 H 1 1.874 0.009 . 2 . . . A 50 ARG HB2 . 19547 1 572 . 1 1 50 50 ARG HB3 H 1 1.809 0.005 . 2 . . . A 50 ARG HB3 . 19547 1 573 . 1 1 50 50 ARG HG2 H 1 1.793 0.004 . 2 . . . A 50 ARG HG2 . 19547 1 574 . 1 1 50 50 ARG HG3 H 1 1.582 0.005 . 2 . . . A 50 ARG HG3 . 19547 1 575 . 1 1 50 50 ARG HD2 H 1 3.119 0.024 . 2 . . . A 50 ARG HD2 . 19547 1 576 . 1 1 50 50 ARG HD3 H 1 3.079 0.015 . 2 . . . A 50 ARG HD3 . 19547 1 577 . 1 1 50 50 ARG CA C 13 59.013 0.070 . 1 . . . A 50 ARG CA . 19547 1 578 . 1 1 50 50 ARG CB C 13 30.293 0.090 . 1 . . . A 50 ARG CB . 19547 1 579 . 1 1 50 50 ARG CG C 13 27.336 0.208 . 1 . . . A 50 ARG CG . 19547 1 580 . 1 1 50 50 ARG CD C 13 43.801 0.084 . 1 . . . A 50 ARG CD . 19547 1 581 . 1 1 50 50 ARG N N 15 120.058 0.058 . 1 . . . A 50 ARG N . 19547 1 582 . 1 1 51 51 ILE H H 1 7.893 0.006 . 1 . . . A 51 ILE H . 19547 1 583 . 1 1 51 51 ILE HA H 1 3.629 0.005 . 1 . . . A 51 ILE HA . 19547 1 584 . 1 1 51 51 ILE HB H 1 1.600 0.011 . 1 . . . A 51 ILE HB . 19547 1 585 . 1 1 51 51 ILE HG12 H 1 1.359 0.012 . 2 . . . A 51 ILE HG12 . 19547 1 586 . 1 1 51 51 ILE HG13 H 1 0.857 0.180 . 2 . . . A 51 ILE HG13 . 19547 1 587 . 1 1 51 51 ILE HG21 H 1 0.663 0.009 . 1 . . . A 51 ILE HG21 . 19547 1 588 . 1 1 51 51 ILE HG22 H 1 0.663 0.009 . 1 . . . A 51 ILE HG22 . 19547 1 589 . 1 1 51 51 ILE HG23 H 1 0.663 0.009 . 1 . . . A 51 ILE HG23 . 19547 1 590 . 1 1 51 51 ILE HD11 H 1 0.310 0.009 . 1 . . . A 51 ILE HD11 . 19547 1 591 . 1 1 51 51 ILE HD12 H 1 0.310 0.009 . 1 . . . A 51 ILE HD12 . 19547 1 592 . 1 1 51 51 ILE HD13 H 1 0.310 0.009 . 1 . . . A 51 ILE HD13 . 19547 1 593 . 1 1 51 51 ILE CA C 13 64.305 0.092 . 1 . . . A 51 ILE CA . 19547 1 594 . 1 1 51 51 ILE CB C 13 37.943 0.046 . 1 . . . A 51 ILE CB . 19547 1 595 . 1 1 51 51 ILE CG1 C 13 28.308 0.109 . 1 . . . A 51 ILE CG1 . 19547 1 596 . 1 1 51 51 ILE CG2 C 13 16.740 0.038 . 1 . . . A 51 ILE CG2 . 19547 1 597 . 1 1 51 51 ILE CD1 C 13 13.214 0.069 . 1 . . . A 51 ILE CD1 . 19547 1 598 . 1 1 51 51 ILE N N 15 120.766 0.083 . 1 . . . A 51 ILE N . 19547 1 599 . 1 1 52 52 GLN H H 1 7.907 0.011 . 1 . . . A 52 GLN H . 19547 1 600 . 1 1 52 52 GLN HA H 1 3.822 0.008 . 1 . . . A 52 GLN HA . 19547 1 601 . 1 1 52 52 GLN HB2 H 1 1.931 0.012 . 2 . . . A 52 GLN HB2 . 19547 1 602 . 1 1 52 52 GLN HB3 H 1 1.749 0.005 . 2 . . . A 52 GLN HB3 . 19547 1 603 . 1 1 52 52 GLN HG2 H 1 1.966 0.010 . 2 . . . A 52 GLN HG2 . 19547 1 604 . 1 1 52 52 GLN HG3 H 1 1.886 0.013 . 2 . . . A 52 GLN HG3 . 19547 1 605 . 1 1 52 52 GLN HE21 H 1 6.450 0.010 . 2 . . . A 52 GLN HE21 . 19547 1 606 . 1 1 52 52 GLN HE22 H 1 6.726 0.007 . 2 . . . A 52 GLN HE22 . 19547 1 607 . 1 1 52 52 GLN CA C 13 57.428 0.105 . 1 . . . A 52 GLN CA . 19547 1 608 . 1 1 52 52 GLN CB C 13 28.280 0.130 . 1 . . . A 52 GLN CB . 19547 1 609 . 1 1 52 52 GLN CG C 13 33.347 0.030 . 1 . . . A 52 GLN CG . 19547 1 610 . 1 1 52 52 GLN N N 15 119.013 0.050 . 1 . . . A 52 GLN N . 19547 1 611 . 1 1 52 52 GLN NE2 N 15 112.722 0.041 . 1 . . . A 52 GLN NE2 . 19547 1 612 . 1 1 53 53 ALA H H 1 7.592 0.019 . 1 . . . A 53 ALA H . 19547 1 613 . 1 1 53 53 ALA HA H 1 4.186 0.014 . 1 . . . A 53 ALA HA . 19547 1 614 . 1 1 53 53 ALA HB1 H 1 1.393 0.005 . 1 . . . A 53 ALA HB1 . 19547 1 615 . 1 1 53 53 ALA HB2 H 1 1.393 0.005 . 1 . . . A 53 ALA HB2 . 19547 1 616 . 1 1 53 53 ALA HB3 H 1 1.393 0.005 . 1 . . . A 53 ALA HB3 . 19547 1 617 . 1 1 53 53 ALA CA C 13 53.157 0.110 . 1 . . . A 53 ALA CA . 19547 1 618 . 1 1 53 53 ALA CB C 13 18.644 0.046 . 1 . . . A 53 ALA CB . 19547 1 619 . 1 1 53 53 ALA N N 15 120.605 0.036 . 1 . . . A 53 ALA N . 19547 1 620 . 1 1 54 54 GLY H H 1 7.720 0.002 . 1 . . . A 54 GLY H . 19547 1 621 . 1 1 54 54 GLY HA2 H 1 3.896 0.002 . 2 . . . A 54 GLY HA2 . 19547 1 622 . 1 1 54 54 GLY HA3 H 1 3.877 0.007 . 2 . . . A 54 GLY HA3 . 19547 1 623 . 1 1 54 54 GLY CA C 13 45.622 0.049 . 1 . . . A 54 GLY CA . 19547 1 624 . 1 1 54 54 GLY N N 15 105.866 0.083 . 1 . . . A 54 GLY N . 19547 1 625 . 1 1 55 55 LEU H H 1 7.697 0.006 . 1 . . . A 55 LEU H . 19547 1 626 . 1 1 55 55 LEU HA H 1 4.326 0.010 . 1 . . . A 55 LEU HA . 19547 1 627 . 1 1 55 55 LEU HB2 H 1 1.610 0.014 . 2 . . . A 55 LEU HB2 . 19547 1 628 . 1 1 55 55 LEU HB3 H 1 1.546 0.029 . 2 . . . A 55 LEU HB3 . 19547 1 629 . 1 1 55 55 LEU HG H 1 1.589 0.004 . 1 . . . A 55 LEU HG . 19547 1 630 . 1 1 55 55 LEU HD11 H 1 0.820 0.012 . 2 . . . A 55 LEU HD11 . 19547 1 631 . 1 1 55 55 LEU HD12 H 1 0.820 0.012 . 2 . . . A 55 LEU HD12 . 19547 1 632 . 1 1 55 55 LEU HD13 H 1 0.820 0.012 . 2 . . . A 55 LEU HD13 . 19547 1 633 . 1 1 55 55 LEU HD21 H 1 0.790 0.009 . 2 . . . A 55 LEU HD21 . 19547 1 634 . 1 1 55 55 LEU HD22 H 1 0.790 0.009 . 2 . . . A 55 LEU HD22 . 19547 1 635 . 1 1 55 55 LEU HD23 H 1 0.790 0.009 . 2 . . . A 55 LEU HD23 . 19547 1 636 . 1 1 55 55 LEU CA C 13 55.105 0.161 . 1 . . . A 55 LEU CA . 19547 1 637 . 1 1 55 55 LEU CB C 13 42.247 0.025 . 1 . . . A 55 LEU CB . 19547 1 638 . 1 1 55 55 LEU CG C 13 26.916 0.198 . 1 . . . A 55 LEU CG . 19547 1 639 . 1 1 55 55 LEU CD1 C 13 25.054 0.023 . 2 . . . A 55 LEU CD1 . 19547 1 640 . 1 1 55 55 LEU CD2 C 13 23.399 0.897 . 2 . . . A 55 LEU CD2 . 19547 1 641 . 1 1 55 55 LEU N N 15 120.773 0.041 . 1 . . . A 55 LEU N . 19547 1 642 . 1 1 56 56 THR H H 1 7.743 0.015 . 1 . . . A 56 THR H . 19547 1 643 . 1 1 56 56 THR HA H 1 4.253 0.003 . 1 . . . A 56 THR HA . 19547 1 644 . 1 1 56 56 THR HB H 1 4.120 0.007 . 1 . . . A 56 THR HB . 19547 1 645 . 1 1 56 56 THR HG21 H 1 1.119 0.005 . 1 . . . A 56 THR HG21 . 19547 1 646 . 1 1 56 56 THR HG22 H 1 1.119 0.005 . 1 . . . A 56 THR HG22 . 19547 1 647 . 1 1 56 56 THR HG23 H 1 1.119 0.005 . 1 . . . A 56 THR HG23 . 19547 1 648 . 1 1 56 56 THR CA C 13 61.320 0.168 . 1 . . . A 56 THR CA . 19547 1 649 . 1 1 56 56 THR CB C 13 69.885 0.050 . 1 . . . A 56 THR CB . 19547 1 650 . 1 1 56 56 THR CG2 C 13 21.531 0.056 . 1 . . . A 56 THR CG2 . 19547 1 651 . 1 1 56 56 THR N N 15 113.079 0.036 . 1 . . . A 56 THR N . 19547 1 652 . 1 1 57 57 ALA H H 1 8.072 0.015 . 1 . . . A 57 ALA H . 19547 1 653 . 1 1 57 57 ALA HA H 1 4.503 0.007 . 1 . . . A 57 ALA HA . 19547 1 654 . 1 1 57 57 ALA HB1 H 1 1.305 0.009 . 1 . . . A 57 ALA HB1 . 19547 1 655 . 1 1 57 57 ALA HB2 H 1 1.305 0.009 . 1 . . . A 57 ALA HB2 . 19547 1 656 . 1 1 57 57 ALA HB3 H 1 1.305 0.009 . 1 . . . A 57 ALA HB3 . 19547 1 657 . 1 1 57 57 ALA CA C 13 50.569 0.044 . 1 . . . A 57 ALA CA . 19547 1 658 . 1 1 57 57 ALA CB C 13 18.294 0.000 . 1 . . . A 57 ALA CB . 19547 1 659 . 1 1 57 57 ALA N N 15 127.233 0.036 . 1 . . . A 57 ALA N . 19547 1 660 . 1 1 58 58 PRO HA H 1 4.314 0.004 . 1 . . . A 58 PRO HA . 19547 1 661 . 1 1 58 58 PRO HB2 H 1 2.208 0.010 . 2 . . . A 58 PRO HB2 . 19547 1 662 . 1 1 58 58 PRO HB3 H 1 1.863 0.007 . 2 . . . A 58 PRO HB3 . 19547 1 663 . 1 1 58 58 PRO HG2 H 1 1.938 0.001 . 2 . . . A 58 PRO HG2 . 19547 1 664 . 1 1 58 58 PRO HG3 H 1 1.938 0.001 . 2 . . . A 58 PRO HG3 . 19547 1 665 . 1 1 58 58 PRO HD2 H 1 3.671 0.020 . 2 . . . A 58 PRO HD2 . 19547 1 666 . 1 1 58 58 PRO HD3 H 1 3.605 0.025 . 2 . . . A 58 PRO HD3 . 19547 1 667 . 1 1 58 58 PRO CA C 13 63.364 0.047 . 1 . . . A 58 PRO CA . 19547 1 668 . 1 1 58 58 PRO CB C 13 31.856 0.125 . 1 . . . A 58 PRO CB . 19547 1 669 . 1 1 58 58 PRO CG C 13 27.284 0.033 . 1 . . . A 58 PRO CG . 19547 1 670 . 1 1 58 58 PRO CD C 13 50.372 0.028 . 1 . . . A 58 PRO CD . 19547 1 671 . 1 1 59 59 ASP H H 1 8.237 0.001 . 1 . . . A 59 ASP H . 19547 1 672 . 1 1 59 59 ASP HA H 1 4.488 0.004 . 1 . . . A 59 ASP HA . 19547 1 673 . 1 1 59 59 ASP HB2 H 1 2.616 0.006 . 2 . . . A 59 ASP HB2 . 19547 1 674 . 1 1 59 59 ASP HB3 H 1 2.589 0.019 . 2 . . . A 59 ASP HB3 . 19547 1 675 . 1 1 59 59 ASP CA C 13 54.082 0.173 . 1 . . . A 59 ASP CA . 19547 1 676 . 1 1 59 59 ASP CB C 13 41.029 0.025 . 1 . . . A 59 ASP CB . 19547 1 677 . 1 1 59 59 ASP N N 15 119.224 0.018 . 1 . . . A 59 ASP N . 19547 1 678 . 1 1 60 60 LYS H H 1 8.048 0.004 . 1 . . . . 60 LYS H . 19547 1 679 . 1 1 60 60 LYS HA H 1 4.266 0.007 . 1 . . . . 60 LYS HA . 19547 1 680 . 1 1 60 60 LYS HB2 H 1 1.809 0.009 . 2 . . . . 60 LYS HB2 . 19547 1 681 . 1 1 60 60 LYS HB3 H 1 1.694 0.004 . 2 . . . . 60 LYS HB3 . 19547 1 682 . 1 1 60 60 LYS HG2 H 1 1.384 0.008 . 2 . . . . 60 LYS HG2 . 19547 1 683 . 1 1 60 60 LYS HG3 H 1 1.344 0.008 . 2 . . . . 60 LYS HG3 . 19547 1 684 . 1 1 60 60 LYS HD2 H 1 1.615 0.012 . 2 . . . . 60 LYS QD . 19547 1 685 . 1 1 60 60 LYS HD3 H 1 1.615 0.012 . 2 . . . . 60 LYS QD . 19547 1 686 . 1 1 60 60 LYS HE2 H 1 2.936 0.005 . 2 . . . . 60 LYS QE . 19547 1 687 . 1 1 60 60 LYS HE3 H 1 2.936 0.005 . 2 . . . . 60 LYS QE . 19547 1 688 . 1 1 60 60 LYS CA C 13 56.076 0.088 . 1 . . . . 60 LYS CA . 19547 1 689 . 1 1 60 60 LYS CB C 13 32.671 0.004 . 1 . . . . 60 LYS CB . 19547 1 690 . 1 1 60 60 LYS CG C 13 24.683 0.081 . 1 . . . . 60 LYS CG . 19547 1 691 . 1 1 60 60 LYS CD C 13 28.897 0.046 . 1 . . . . 60 LYS CD . 19547 1 692 . 1 1 60 60 LYS CE C 13 41.969 0.163 . 1 . . . . 60 LYS CE . 19547 1 693 . 1 1 60 60 LYS N N 15 121.558 0.044 . 1 . . . . 60 LYS N . 19547 1 694 . 1 1 61 61 ARG H H 1 8.176 0.011 . 1 . . . . 61 ARG H . 19547 1 695 . 1 1 61 61 ARG HA H 1 4.251 0.002 . 1 . . . . 61 ARG HA . 19547 1 696 . 1 1 61 61 ARG HB2 H 1 1.784 0.010 . 2 . . . . 61 ARG HB2 . 19547 1 697 . 1 1 61 61 ARG HB3 H 1 1.743 0.019 . 2 . . . . 61 ARG HB3 . 19547 1 698 . 1 1 61 61 ARG HG2 H 1 1.578 0.005 . 2 . . . . 61 ARG QG . 19547 1 699 . 1 1 61 61 ARG HG3 H 1 1.578 0.005 . 2 . . . . 61 ARG QG . 19547 1 700 . 1 1 61 61 ARG HD2 H 1 3.131 0.003 . 2 . . . . 61 ARG QD . 19547 1 701 . 1 1 61 61 ARG HD3 H 1 3.131 0.003 . 2 . . . . 61 ARG QD . 19547 1 702 . 1 1 61 61 ARG CA C 13 56.116 0.012 . 1 . . . . 61 ARG CA . 19547 1 703 . 1 1 61 61 ARG CB C 13 30.696 0.114 . 1 . . . . 61 ARG CB . 19547 1 704 . 1 1 61 61 ARG CG C 13 27.072 0.140 . 1 . . . . 61 ARG CG . 19547 1 705 . 1 1 61 61 ARG CD C 13 43.237 0.181 . 1 . . . . 61 ARG CD . 19547 1 706 . 1 1 61 61 ARG N N 15 121.771 0.000 . 1 . . . . 61 ARG N . 19547 1 707 . 1 1 62 62 GLU H H 1 8.319 0.004 . 1 . . . . 62 GLU H . 19547 1 708 . 1 1 62 62 GLU HA H 1 4.300 0.004 . 1 . . . . 62 GLU HA . 19547 1 709 . 1 1 62 62 GLU HB2 H 1 1.981 0.009 . 2 . . . . 62 GLU HB2 . 19547 1 710 . 1 1 62 62 GLU HB3 H 1 1.877 0.000 . 2 . . . . 62 GLU HB3 . 19547 1 711 . 1 1 62 62 GLU HG2 H 1 2.202 0.010 . 2 . . . . 62 GLU HG2 . 19547 1 712 . 1 1 62 62 GLU HG3 H 1 2.168 0.010 . 2 . . . . 62 GLU HG3 . 19547 1 713 . 1 1 62 62 GLU CA C 13 56.277 0.027 . 1 . . . . 62 GLU CA . 19547 1 714 . 1 1 62 62 GLU CB C 13 30.511 0.100 . 1 . . . . 62 GLU CB . 19547 1 715 . 1 1 62 62 GLU CG C 13 36.128 0.100 . 1 . . . . 62 GLU CG . 19547 1 716 . 1 1 62 62 GLU N N 15 121.719 0.000 . 1 . . . . 62 GLU N . 19547 1 717 . 1 1 63 63 THR H H 1 8.119 0.000 . 1 . . . . 63 THR H . 19547 1 718 . 1 1 63 63 THR HA H 1 4.527 0.000 . 1 . . . . 63 THR HA . 19547 1 719 . 1 1 63 63 THR HB H 1 4.071 0.011 . 1 . . . . 63 THR HB . 19547 1 720 . 1 1 63 63 THR HG21 H 1 1.143 0.002 . 1 . . . . 63 THR QG2 . 19547 1 721 . 1 1 63 63 THR HG22 H 1 1.143 0.002 . 1 . . . . 63 THR QG2 . 19547 1 722 . 1 1 63 63 THR HG23 H 1 1.143 0.002 . 1 . . . . 63 THR QG2 . 19547 1 723 . 1 1 63 63 THR CA C 13 59.536 0.000 . 1 . . . . 63 THR CA . 19547 1 724 . 1 1 63 63 THR CB C 13 69.651 0.035 . 1 . . . . 63 THR CB . 19547 1 725 . 1 1 63 63 THR CG2 C 13 21.298 0.151 . 1 . . . . 63 THR CG2 . 19547 1 726 . 1 1 63 63 THR N N 15 117.473 0.000 . 1 . . . . 63 THR N . 19547 1 727 . 1 1 64 64 PRO HA H 1 4.319 0.004 . 1 . . . . 64 PRO HA . 19547 1 728 . 1 1 64 64 PRO HB2 H 1 2.159 0.006 . 2 . . . . 64 PRO HB2 . 19547 1 729 . 1 1 64 64 PRO HB3 H 1 1.664 0.003 . 2 . . . . 64 PRO HB3 . 19547 1 730 . 1 1 64 64 PRO HG2 H 1 1.866 0.009 . 2 . . . . 64 PRO QG . 19547 1 731 . 1 1 64 64 PRO HG3 H 1 1.866 0.009 . 2 . . . . 64 PRO QG . 19547 1 732 . 1 1 64 64 PRO HD2 H 1 3.596 0.004 . 2 . . . . 64 PRO HD2 . 19547 1 733 . 1 1 64 64 PRO HD3 H 1 3.741 0.012 . 2 . . . . 64 PRO HD3 . 19547 1 734 . 1 1 64 64 PRO CA C 13 63.231 0.143 . 1 . . . . 64 PRO CA . 19547 1 735 . 1 1 64 64 PRO CB C 13 31.886 0.121 . 1 . . . . 64 PRO CB . 19547 1 736 . 1 1 64 64 PRO CG C 13 27.248 0.034 . 1 . . . . 64 PRO CG . 19547 1 737 . 1 1 64 64 PRO CD C 13 50.863 0.093 . 1 . . . . 64 PRO CD . 19547 1 738 . 1 1 65 65 HIS HA H 1 4.347 0.000 . 1 . . . . 65 HIS HA . 19547 1 739 . 1 1 65 65 HIS HB2 H 1 3.097 0.000 . 2 . . . . 65 HIS HB2 . 19547 1 740 . 1 1 65 65 HIS HB3 H 1 2.938 0.016 . 2 . . . . 65 HIS HB3 . 19547 1 741 . 1 1 65 65 HIS CA C 13 57.459 0.000 . 1 . . . . 65 HIS CA . 19547 1 742 . 1 1 65 65 HIS CB C 13 30.910 0.055 . 1 . . . . 65 HIS CB . 19547 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19547 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 3 '2D 1H-1H NOESY' . . . 19547 2 4 '2D 1H-1H NOESY' . . . 19547 2 11 '2D 1H-1H TOCSY' . . . 19547 2 12 '2D 1H-15N HSQC' . . . 19547 2 13 '2D 1H-15N HSQC' . . . 19547 2 14 '2D 1H-13C HSQC' . . . 19547 2 15 '2D 1H-13C HSQC' . . . 19547 2 16 '3D 1H-13C NOESY' . . . 19547 2 17 '3D 1H-13C NOESY' . . . 19547 2 20 '3D HCCH-TOCSY' . . . 19547 2 21 '3D HCCH-TOCSY' . . . 19547 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 G H1 H 1 12.478 0.000 . 1 . . . B 40 G H1 . 19547 2 2 . 2 2 1 1 G H1' H 1 5.799 0.005 . 1 . . . B 40 G H1' . 19547 2 3 . 2 2 1 1 G H2' H 1 4.866 0.014 . 1 . . . B 40 G H2' . 19547 2 4 . 2 2 1 1 G H3' H 1 4.663 0.008 . 1 . . . B 40 G H3' . 19547 2 5 . 2 2 1 1 G H4' H 1 4.534 0.002 . 1 . . . B 40 G H4' . 19547 2 6 . 2 2 1 1 G H5' H 1 4.436 0.051 . 2 . . . B 40 G H5' . 19547 2 7 . 2 2 1 1 G H5'' H 1 4.187 0.071 . 2 . . . B 40 G H5'' . 19547 2 8 . 2 2 1 1 G H8 H 1 8.110 0.016 . 1 . . . B 40 G H8 . 19547 2 9 . 2 2 1 1 G C1' C 13 91.822 0.049 . 1 . . . B 40 G C1' . 19547 2 10 . 2 2 1 1 G C2' C 13 75.244 0.030 . 1 . . . B 40 G C2' . 19547 2 11 . 2 2 1 1 G C3' C 13 74.520 0.028 . 1 . . . B 40 G C3' . 19547 2 12 . 2 2 1 1 G C4' C 13 83.313 0.071 . 1 . . . B 40 G C4' . 19547 2 13 . 2 2 1 1 G C5' C 13 66.880 0.102 . 1 . . . B 40 G C5' . 19547 2 14 . 2 2 1 1 G C8 C 13 139.093 0.000 . 1 . . . B 40 G C8 . 19547 2 15 . 2 2 1 1 G N1 N 15 147.640 0.000 . 1 . . . B 40 G N1 . 19547 2 16 . 2 2 2 2 G H1 H 1 12.615 0.010 . 1 . . . B 41 G H1 . 19547 2 17 . 2 2 2 2 G H1' H 1 5.899 0.024 . 1 . . . B 41 G H1' . 19547 2 18 . 2 2 2 2 G H2' H 1 4.686 0.007 . 1 . . . B 41 G H2' . 19547 2 19 . 2 2 2 2 G H3' H 1 4.561 0.013 . 1 . . . B 41 G H3' . 19547 2 20 . 2 2 2 2 G H4' H 1 4.512 0.015 . 1 . . . B 41 G H4' . 19547 2 21 . 2 2 2 2 G H5' H 1 4.490 0.004 . 2 . . . B 41 G H5' . 19547 2 22 . 2 2 2 2 G H5'' H 1 4.210 0.014 . 2 . . . B 41 G H5'' . 19547 2 23 . 2 2 2 2 G H8 H 1 7.517 0.015 . 1 . . . B 41 G H8 . 19547 2 24 . 2 2 2 2 G C1' C 13 92.767 0.015 . 1 . . . B 41 G C1' . 19547 2 25 . 2 2 2 2 G C2' C 13 75.615 0.061 . 1 . . . B 41 G C2' . 19547 2 26 . 2 2 2 2 G C3' C 13 73.048 0.047 . 1 . . . B 41 G C3' . 19547 2 27 . 2 2 2 2 G C4' C 13 82.261 0.021 . 1 . . . B 41 G C4' . 19547 2 28 . 2 2 2 2 G C5' C 13 65.961 0.055 . 1 . . . B 41 G C5' . 19547 2 29 . 2 2 2 2 G C8 C 13 136.620 0.000 . 1 . . . B 41 G C8 . 19547 2 30 . 2 2 2 2 G N1 N 15 147.562 0.000 . 1 . . . B 41 G N1 . 19547 2 31 . 2 2 3 3 G H1 H 1 12.251 0.004 . 1 . . . B 42 G H1 . 19547 2 32 . 2 2 3 3 G H1' H 1 5.759 0.005 . 1 . . . B 42 G H1' . 19547 2 33 . 2 2 3 3 G H2' H 1 4.646 0.010 . 1 . . . B 42 G H2' . 19547 2 34 . 2 2 3 3 G H3' H 1 4.474 0.015 . 1 . . . B 42 G H3' . 19547 2 35 . 2 2 3 3 G H4' H 1 4.506 0.011 . 1 . . . B 42 G H4' . 19547 2 36 . 2 2 3 3 G H5' H 1 4.461 0.006 . 2 . . . B 42 G H5' . 19547 2 37 . 2 2 3 3 G H5'' H 1 4.088 0.004 . 2 . . . B 42 G H5'' . 19547 2 38 . 2 2 3 3 G H8 H 1 7.135 0.004 . 1 . . . B 42 G H8 . 19547 2 39 . 2 2 3 3 G C1' C 13 93.041 0.070 . 1 . . . B 42 G C1' . 19547 2 40 . 2 2 3 3 G C2' C 13 75.461 0.032 . 1 . . . B 42 G C2' . 19547 2 41 . 2 2 3 3 G C3' C 13 73.145 0.039 . 1 . . . B 42 G C3' . 19547 2 42 . 2 2 3 3 G C4' C 13 82.196 0.028 . 1 . . . B 42 G C4' . 19547 2 43 . 2 2 3 3 G C5' C 13 65.875 0.053 . 1 . . . B 42 G C5' . 19547 2 44 . 2 2 3 3 G C8 C 13 136.008 0.043 . 1 . . . B 42 G C8 . 19547 2 45 . 2 2 3 3 G N1 N 15 147.279 0.000 . 1 . . . B 42 G N1 . 19547 2 46 . 2 2 4 4 A H1' H 1 5.974 0.009 . 1 . . . B 43 A H1' . 19547 2 47 . 2 2 4 4 A H2 H 1 7.794 0.011 . 1 . . . B 43 A H2 . 19547 2 48 . 2 2 4 4 A H2' H 1 4.530 0.012 . 1 . . . B 43 A H2' . 19547 2 49 . 2 2 4 4 A H3' H 1 4.545 0.006 . 1 . . . B 43 A H3' . 19547 2 50 . 2 2 4 4 A H4' H 1 4.489 0.005 . 1 . . . B 43 A H4' . 19547 2 51 . 2 2 4 4 A H5' H 1 4.529 0.000 . 2 . . . B 43 A H5' . 19547 2 52 . 2 2 4 4 A H5'' H 1 4.121 0.005 . 2 . . . B 43 A H5'' . 19547 2 53 . 2 2 4 4 A H8 H 1 7.657 0.012 . 1 . . . B 43 A H8 . 19547 2 54 . 2 2 4 4 A C1' C 13 93.195 0.080 . 1 . . . B 43 A C1' . 19547 2 55 . 2 2 4 4 A C2 C 13 153.921 0.023 . 1 . . . B 43 A C2 . 19547 2 56 . 2 2 4 4 A C2' C 13 75.726 0.027 . 1 . . . B 43 A C2' . 19547 2 57 . 2 2 4 4 A C3' C 13 72.669 0.030 . 1 . . . B 43 A C3' . 19547 2 58 . 2 2 4 4 A C4' C 13 82.118 0.053 . 1 . . . B 43 A C4' . 19547 2 59 . 2 2 4 4 A C5' C 13 64.907 0.072 . 1 . . . B 43 A C5' . 19547 2 60 . 2 2 4 4 A C8 C 13 139.309 0.102 . 1 . . . B 43 A C8 . 19547 2 61 . 2 2 5 5 U H1' H 1 5.434 0.009 . 1 . . . B 44 U H1' . 19547 2 62 . 2 2 5 5 U H2' H 1 4.480 0.005 . 1 . . . B 44 U H2' . 19547 2 63 . 2 2 5 5 U H3 H 1 13.923 0.004 . 1 . . . B 44 U H3 . 19547 2 64 . 2 2 5 5 U H3' H 1 4.403 0.004 . 1 . . . B 44 U H3' . 19547 2 65 . 2 2 5 5 U H4' H 1 4.346 0.008 . 1 . . . B 44 U H4' . 19547 2 66 . 2 2 5 5 U H5 H 1 5.032 0.007 . 1 . . . B 44 U H5 . 19547 2 67 . 2 2 5 5 U H5' H 1 4.503 0.000 . 2 . . . B 44 U H5' . 19547 2 68 . 2 2 5 5 U H5'' H 1 4.072 0.016 . 2 . . . B 44 U H5'' . 19547 2 69 . 2 2 5 5 U H6 H 1 7.276 0.011 . 1 . . . B 44 U H6 . 19547 2 70 . 2 2 5 5 U C1' C 13 93.035 0.086 . 1 . . . B 44 U C1' . 19547 2 71 . 2 2 5 5 U C2' C 13 75.859 0.079 . 1 . . . B 44 U C2' . 19547 2 72 . 2 2 5 5 U C3' C 13 72.540 0.064 . 1 . . . B 44 U C3' . 19547 2 73 . 2 2 5 5 U C4' C 13 82.133 0.050 . 1 . . . B 44 U C4' . 19547 2 74 . 2 2 5 5 U C5 C 13 102.873 0.051 . 1 . . . B 44 U C5 . 19547 2 75 . 2 2 5 5 U C5' C 13 64.692 0.012 . 1 . . . B 44 U C5' . 19547 2 76 . 2 2 5 5 U C6 C 13 141.048 0.123 . 1 . . . B 44 U C6 . 19547 2 77 . 2 2 5 5 U N3 N 15 162.449 0.000 . 1 . . . B 44 U N3 . 19547 2 78 . 2 2 6 6 C H1' H 1 5.429 0.019 . 1 . . . B 45 C H1' . 19547 2 79 . 2 2 6 6 C H2' H 1 4.590 0.007 . 1 . . . B 45 C H2' . 19547 2 80 . 2 2 6 6 C H3' H 1 4.179 0.016 . 1 . . . B 45 C H3' . 19547 2 81 . 2 2 6 6 C H4' H 1 4.513 0.004 . 1 . . . B 45 C H4' . 19547 2 82 . 2 2 6 6 C H5 H 1 5.499 0.042 . 1 . . . B 45 C H5 . 19547 2 83 . 2 2 6 6 C H5'' H 1 4.128 0.012 . 2 . . . B 45 C H5'' . 19547 2 84 . 2 2 6 6 C H6 H 1 7.636 0.047 . 1 . . . B 45 C H6 . 19547 2 85 . 2 2 6 6 C H41 H 1 8.343 0.000 . 2 . . . B 45 C H41 . 19547 2 86 . 2 2 6 6 C H42 H 1 6.600 0.000 . 2 . . . B 45 C H42 . 19547 2 87 . 2 2 6 6 C C1' C 13 94.322 0.062 . 1 . . . B 45 C C1' . 19547 2 88 . 2 2 6 6 C C2' C 13 75.296 0.055 . 1 . . . B 45 C C2' . 19547 2 89 . 2 2 6 6 C C3' C 13 73.831 0.039 . 1 . . . B 45 C C3' . 19547 2 90 . 2 2 6 6 C C4' C 13 82.102 0.034 . 1 . . . B 45 C C4' . 19547 2 91 . 2 2 6 6 C C5 C 13 98.342 0.239 . 1 . . . B 45 C C5 . 19547 2 92 . 2 2 6 6 C C5' C 13 67.102 0.089 . 1 . . . B 45 C C5' . 19547 2 93 . 2 2 6 6 C C6 C 13 141.148 0.000 . 1 . . . B 45 C C6 . 19547 2 94 . 2 2 7 7 G H1 H 1 12.829 0.005 . 1 . . . B 46 G H1 . 19547 2 95 . 2 2 7 7 G H1' H 1 5.575 0.006 . 1 . . . B 46 G H1' . 19547 2 96 . 2 2 7 7 G H2' H 1 4.691 0.002 . 1 . . . B 46 G H2' . 19547 2 97 . 2 2 7 7 G H3' H 1 4.440 0.010 . 1 . . . B 46 G H3' . 19547 2 98 . 2 2 7 7 G H5' H 1 4.518 0.000 . 2 . . . B 46 G H5' . 19547 2 99 . 2 2 7 7 G H5'' H 1 4.045 0.001 . 2 . . . B 46 G H5'' . 19547 2 100 . 2 2 7 7 G H8 H 1 7.464 0.022 . 1 . . . B 46 G H8 . 19547 2 101 . 2 2 7 7 G C1' C 13 93.770 0.191 . 1 . . . B 46 G C1' . 19547 2 102 . 2 2 7 7 G C2' C 13 75.428 0.000 . 1 . . . B 46 G C2' . 19547 2 103 . 2 2 7 7 G C3' C 13 72.842 0.070 . 1 . . . B 46 G C3' . 19547 2 104 . 2 2 7 7 G C5' C 13 65.790 0.014 . 1 . . . B 46 G C5' . 19547 2 105 . 2 2 7 7 G C8 C 13 136.609 0.000 . 1 . . . B 46 G C8 . 19547 2 106 . 2 2 7 7 G N1 N 15 147.265 0.000 . 1 . . . B 46 G N1 . 19547 2 107 . 2 2 8 8 C H1' H 1 5.396 0.028 . 1 . . . B 47 C H1' . 19547 2 108 . 2 2 8 8 C H2' H 1 4.578 0.004 . 1 . . . B 47 C H2' . 19547 2 109 . 2 2 8 8 C H3' H 1 4.362 0.005 . 1 . . . B 47 C H3' . 19547 2 110 . 2 2 8 8 C H4' H 1 4.368 0.004 . 1 . . . B 47 C H4' . 19547 2 111 . 2 2 8 8 C H5 H 1 5.488 0.006 . 1 . . . B 47 C H5 . 19547 2 112 . 2 2 8 8 C H6 H 1 7.652 0.011 . 1 . . . B 47 C H6 . 19547 2 113 . 2 2 8 8 C H41 H 1 8.327 0.000 . 2 . . . B 47 C H41 . 19547 2 114 . 2 2 8 8 C H42 H 1 6.758 0.019 . 2 . . . B 47 C H42 . 19547 2 115 . 2 2 8 8 C C1' C 13 94.328 0.039 . 1 . . . B 47 C C1' . 19547 2 116 . 2 2 8 8 C C2' C 13 75.114 0.029 . 1 . . . B 47 C C2' . 19547 2 117 . 2 2 8 8 C C3' C 13 72.414 0.176 . 1 . . . B 47 C C3' . 19547 2 118 . 2 2 8 8 C C4' C 13 82.204 0.159 . 1 . . . B 47 C C4' . 19547 2 119 . 2 2 8 8 C C5 C 13 98.478 0.030 . 1 . . . B 47 C C5 . 19547 2 120 . 2 2 8 8 C C6 C 13 142.043 0.000 . 1 . . . B 47 C C6 . 19547 2 121 . 2 2 9 9 A H1' H 1 6.288 0.012 . 1 . . . B 48 A H1' . 19547 2 122 . 2 2 9 9 A H2 H 1 8.390 0.009 . 1 . . . B 48 A H2 . 19547 2 123 . 2 2 9 9 A H2' H 1 4.568 0.012 . 1 . . . B 48 A H2' . 19547 2 124 . 2 2 9 9 A H3' H 1 4.299 0.000 . 1 . . . B 48 A H3' . 19547 2 125 . 2 2 9 9 A H4' H 1 4.266 0.018 . 1 . . . B 48 A H4' . 19547 2 126 . 2 2 9 9 A H8 H 1 8.531 0.021 . 1 . . . B 48 A H8 . 19547 2 127 . 2 2 9 9 A C1' C 13 90.505 0.189 . 1 . . . B 48 A C1' . 19547 2 128 . 2 2 9 9 A C2 C 13 156.217 0.047 . 1 . . . B 48 A C2 . 19547 2 129 . 2 2 9 9 A C2' C 13 77.778 0.017 . 1 . . . B 48 A C2' . 19547 2 130 . 2 2 9 9 A C4' C 13 84.749 0.036 . 1 . . . B 48 A C4' . 19547 2 131 . 2 2 9 9 A C8 C 13 141.502 0.000 . 1 . . . B 48 A C8 . 19547 2 132 . 2 2 10 10 G H1 H 1 12.473 0.000 . 1 . . . B 49 G H1 . 19547 2 133 . 2 2 10 10 G H1' H 1 5.242 0.009 . 1 . . . B 49 G H1' . 19547 2 134 . 2 2 10 10 G H2' H 1 4.380 0.008 . 1 . . . B 49 G H2' . 19547 2 135 . 2 2 10 10 G H3' H 1 4.708 0.011 . 1 . . . B 49 G H3' . 19547 2 136 . 2 2 10 10 G H4' H 1 3.904 0.000 . 1 . . . B 49 G H4' . 19547 2 137 . 2 2 10 10 G H5'' H 1 4.003 0.010 . 2 . . . B 49 G H5'' . 19547 2 138 . 2 2 10 10 G H8 H 1 7.766 0.008 . 1 . . . B 49 G H8 . 19547 2 139 . 2 2 10 10 G C1' C 13 92.334 0.040 . 1 . . . B 49 G C1' . 19547 2 140 . 2 2 10 10 G C2' C 13 77.308 0.058 . 1 . . . B 49 G C2' . 19547 2 141 . 2 2 10 10 G C3' C 13 78.307 0.037 . 1 . . . B 49 G C3' . 19547 2 142 . 2 2 10 10 G C8 C 13 139.913 0.041 . 1 . . . B 49 G C8 . 19547 2 143 . 2 2 10 10 G N1 N 15 146.656 0.000 . 1 . . . B 49 G N1 . 19547 2 144 . 2 2 11 11 G H1 H 1 11.463 0.011 . 1 . . . B 50 G H1 . 19547 2 145 . 2 2 11 11 G H1' H 1 5.766 0.014 . 1 . . . B 50 G H1' . 19547 2 146 . 2 2 11 11 G H2' H 1 4.515 0.016 . 1 . . . B 50 G H2' . 19547 2 147 . 2 2 11 11 G H3' H 1 4.588 0.014 . 1 . . . B 50 G H3' . 19547 2 148 . 2 2 11 11 G H4' H 1 4.282 0.018 . 1 . . . B 50 G H4' . 19547 2 149 . 2 2 11 11 G H5' H 1 3.721 0.017 . 2 . . . B 50 G H5' . 19547 2 150 . 2 2 11 11 G H5'' H 1 2.814 0.029 . 2 . . . B 50 G H5'' . 19547 2 151 . 2 2 11 11 G H8 H 1 8.478 0.009 . 1 . . . B 50 G H8 . 19547 2 152 . 2 2 11 11 G C1' C 13 88.614 0.034 . 1 . . . B 50 G C1' . 19547 2 153 . 2 2 11 11 G C2' C 13 79.036 0.123 . 1 . . . B 50 G C2' . 19547 2 154 . 2 2 11 11 G C3' C 13 78.907 0.090 . 1 . . . B 50 G C3' . 19547 2 155 . 2 2 11 11 G C4' C 13 87.362 0.066 . 1 . . . B 50 G C4' . 19547 2 156 . 2 2 11 11 G C5' C 13 67.686 0.103 . 1 . . . B 50 G C5' . 19547 2 157 . 2 2 11 11 G C8 C 13 140.963 0.030 . 1 . . . B 50 G C8 . 19547 2 158 . 2 2 11 11 G N1 N 15 146.207 0.000 . 1 . . . B 50 G N1 . 19547 2 159 . 2 2 12 12 A H1' H 1 6.472 0.008 . 1 . . . B 51 A H1' . 19547 2 160 . 2 2 12 12 A H2 H 1 8.485 0.011 . 1 . . . B 51 A H2 . 19547 2 161 . 2 2 12 12 A H2' H 1 4.349 0.019 . 1 . . . B 51 A H2' . 19547 2 162 . 2 2 12 12 A H3' H 1 5.061 0.010 . 1 . . . B 51 A H3' . 19547 2 163 . 2 2 12 12 A H4' H 1 4.553 0.009 . 1 . . . B 51 A H4' . 19547 2 164 . 2 2 12 12 A H5' H 1 4.530 0.012 . 2 . . . B 51 A H5' . 19547 2 165 . 2 2 12 12 A H5'' H 1 4.264 0.019 . 2 . . . B 51 A H5'' . 19547 2 166 . 2 2 12 12 A H8 H 1 9.040 0.015 . 1 . . . B 51 A H8 . 19547 2 167 . 2 2 12 12 A C1' C 13 90.250 0.057 . 1 . . . B 51 A C1' . 19547 2 168 . 2 2 12 12 A C2 C 13 156.721 0.037 . 1 . . . B 51 A C2 . 19547 2 169 . 2 2 12 12 A C2' C 13 78.656 0.067 . 1 . . . B 51 A C2' . 19547 2 170 . 2 2 12 12 A C3' C 13 75.603 0.024 . 1 . . . B 51 A C3' . 19547 2 171 . 2 2 12 12 A C4' C 13 81.921 0.054 . 1 . . . B 51 A C4' . 19547 2 172 . 2 2 12 12 A C5' C 13 68.891 0.025 . 1 . . . B 51 A C5' . 19547 2 173 . 2 2 12 12 A C8 C 13 141.970 0.015 . 1 . . . B 51 A C8 . 19547 2 174 . 2 2 13 13 A H1' H 1 6.036 0.006 . 1 . . . B 52 A H1' . 19547 2 175 . 2 2 13 13 A H2 H 1 8.264 0.008 . 1 . . . B 52 A H2 . 19547 2 176 . 2 2 13 13 A H2' H 1 4.632 0.007 . 1 . . . B 52 A H2' . 19547 2 177 . 2 2 13 13 A H3' H 1 4.780 0.005 . 1 . . . B 52 A H3' . 19547 2 178 . 2 2 13 13 A H4' H 1 4.327 0.005 . 1 . . . B 52 A H4' . 19547 2 179 . 2 2 13 13 A H5' H 1 4.231 0.007 . 2 . . . B 52 A H5' . 19547 2 180 . 2 2 13 13 A H5'' H 1 4.106 0.006 . 2 . . . B 52 A H5'' . 19547 2 181 . 2 2 13 13 A H8 H 1 8.308 0.005 . 1 . . . B 52 A H8 . 19547 2 182 . 2 2 13 13 A C1' C 13 90.339 0.025 . 1 . . . B 52 A C1' . 19547 2 183 . 2 2 13 13 A C2 C 13 155.750 0.023 . 1 . . . B 52 A C2 . 19547 2 184 . 2 2 13 13 A C2' C 13 77.608 0.040 . 1 . . . B 52 A C2' . 19547 2 185 . 2 2 13 13 A C3' C 13 77.840 0.065 . 1 . . . B 52 A C3' . 19547 2 186 . 2 2 13 13 A C4' C 13 85.531 0.030 . 1 . . . B 52 A C4' . 19547 2 187 . 2 2 13 13 A C5' C 13 68.348 0.075 . 1 . . . B 52 A C5' . 19547 2 188 . 2 2 13 13 A C8 C 13 142.305 0.042 . 1 . . . B 52 A C8 . 19547 2 189 . 2 2 14 14 G H1 H 1 13.144 0.004 . 1 . . . B 53 G H1 . 19547 2 190 . 2 2 14 14 G H1' H 1 4.895 0.021 . 1 . . . B 53 G H1' . 19547 2 191 . 2 2 14 14 G H2' H 1 4.529 0.004 . 1 . . . B 53 G H2' . 19547 2 192 . 2 2 14 14 G H3' H 1 4.661 0.000 . 1 . . . B 53 G H3' . 19547 2 193 . 2 2 14 14 G H4' H 1 4.449 0.000 . 1 . . . B 53 G H4' . 19547 2 194 . 2 2 14 14 G H5' H 1 4.454 0.000 . 2 . . . B 53 G H5' . 19547 2 195 . 2 2 14 14 G H5'' H 1 4.249 0.000 . 2 . . . B 53 G H5'' . 19547 2 196 . 2 2 14 14 G H8 H 1 7.505 0.013 . 1 . . . B 53 G H8 . 19547 2 197 . 2 2 14 14 G C1' C 13 93.012 0.026 . 1 . . . B 53 G C1' . 19547 2 198 . 2 2 14 14 G C2' C 13 75.278 0.083 . 1 . . . B 53 G C2' . 19547 2 199 . 2 2 14 14 G C3' C 13 75.558 0.000 . 1 . . . B 53 G C3' . 19547 2 200 . 2 2 14 14 G C4' C 13 82.150 0.000 . 1 . . . B 53 G C4' . 19547 2 201 . 2 2 14 14 G C5' C 13 67.242 0.000 . 1 . . . B 53 G C5' . 19547 2 202 . 2 2 14 14 G C8 C 13 136.579 0.069 . 1 . . . B 53 G C8 . 19547 2 203 . 2 2 14 14 G N1 N 15 148.322 0.000 . 1 . . . B 53 G N1 . 19547 2 204 . 2 2 15 15 C H1' H 1 5.674 0.006 . 1 . . . B 54 C H1' . 19547 2 205 . 2 2 15 15 C H2' H 1 4.681 0.003 . 1 . . . B 54 C H2' . 19547 2 206 . 2 2 15 15 C H3' H 1 4.564 0.013 . 1 . . . B 54 C H3' . 19547 2 207 . 2 2 15 15 C H4' H 1 4.456 0.002 . 1 . . . B 54 C H4' . 19547 2 208 . 2 2 15 15 C H5 H 1 5.300 0.011 . 1 . . . B 54 C H5 . 19547 2 209 . 2 2 15 15 C H6 H 1 7.739 0.004 . 1 . . . B 54 C H6 . 19547 2 210 . 2 2 15 15 C C1' C 13 93.620 0.095 . 1 . . . B 54 C C1' . 19547 2 211 . 2 2 15 15 C C2' C 13 75.558 0.126 . 1 . . . B 54 C C2' . 19547 2 212 . 2 2 15 15 C C3' C 13 72.474 0.065 . 1 . . . B 54 C C3' . 19547 2 213 . 2 2 15 15 C C4' C 13 82.029 0.052 . 1 . . . B 54 C C4' . 19547 2 214 . 2 2 15 15 C C5 C 13 96.991 0.075 . 1 . . . B 54 C C5 . 19547 2 215 . 2 2 15 15 C C6 C 13 141.933 0.000 . 1 . . . B 54 C C6 . 19547 2 216 . 2 2 16 16 G H1 H 1 12.140 0.006 . 1 . . . B 55 G H1 . 19547 2 217 . 2 2 16 16 G H1' H 1 5.753 0.013 . 1 . . . B 55 G H1' . 19547 2 218 . 2 2 16 16 G H2' H 1 4.691 0.001 . 1 . . . B 55 G H2' . 19547 2 219 . 2 2 16 16 G H3' H 1 4.542 0.003 . 1 . . . B 55 G H3' . 19547 2 220 . 2 2 16 16 G H4' H 1 4.524 0.002 . 1 . . . B 55 G H4' . 19547 2 221 . 2 2 16 16 G H5' H 1 4.427 0.007 . 2 . . . B 55 G H5' . 19547 2 222 . 2 2 16 16 G H5'' H 1 4.139 0.006 . 2 . . . B 55 G H5'' . 19547 2 223 . 2 2 16 16 G H8 H 1 7.510 0.014 . 1 . . . B 55 G H8 . 19547 2 224 . 2 2 16 16 G C1' C 13 93.096 0.086 . 1 . . . B 55 G C1' . 19547 2 225 . 2 2 16 16 G C2' C 13 75.514 0.091 . 1 . . . B 55 G C2' . 19547 2 226 . 2 2 16 16 G C3' C 13 73.824 0.028 . 1 . . . B 55 G C3' . 19547 2 227 . 2 2 16 16 G C4' C 13 82.451 0.008 . 1 . . . B 55 G C4' . 19547 2 228 . 2 2 16 16 G C5' C 13 67.064 0.099 . 1 . . . B 55 G C5' . 19547 2 229 . 2 2 16 16 G C8 C 13 136.606 0.048 . 1 . . . B 55 G C8 . 19547 2 230 . 2 2 16 16 G N1 N 15 146.848 0.000 . 1 . . . B 55 G N1 . 19547 2 231 . 2 2 17 17 A H1' H 1 6.009 0.004 . 1 . . . B 56 A H1' . 19547 2 232 . 2 2 17 17 A H2 H 1 7.799 0.005 . 1 . . . B 56 A H2 . 19547 2 233 . 2 2 17 17 A H2' H 1 4.473 0.011 . 1 . . . B 56 A H2' . 19547 2 234 . 2 2 17 17 A H3' H 1 4.678 0.006 . 1 . . . B 56 A H3' . 19547 2 235 . 2 2 17 17 A H4' H 1 4.507 0.005 . 1 . . . B 56 A H4' . 19547 2 236 . 2 2 17 17 A H5' H 1 4.527 0.000 . 2 . . . B 56 A H5' . 19547 2 237 . 2 2 17 17 A H5'' H 1 4.125 0.010 . 2 . . . B 56 A H5'' . 19547 2 238 . 2 2 17 17 A H8 H 1 7.935 0.008 . 1 . . . B 56 A H8 . 19547 2 239 . 2 2 17 17 A C1' C 13 93.537 0.171 . 1 . . . B 56 A C1' . 19547 2 240 . 2 2 17 17 A C2 C 13 154.039 0.126 . 1 . . . B 56 A C2 . 19547 2 241 . 2 2 17 17 A C2' C 13 75.456 0.051 . 1 . . . B 56 A C2' . 19547 2 242 . 2 2 17 17 A C3' C 13 72.752 0.115 . 1 . . . B 56 A C3' . 19547 2 243 . 2 2 17 17 A C4' C 13 82.226 0.025 . 1 . . . B 56 A C4' . 19547 2 244 . 2 2 17 17 A C5' C 13 64.993 0.020 . 1 . . . B 56 A C5' . 19547 2 245 . 2 2 17 17 A C8 C 13 140.010 0.055 . 1 . . . B 56 A C8 . 19547 2 246 . 2 2 18 18 U H1' H 1 5.601 0.014 . 1 . . . B 57 U H1' . 19547 2 247 . 2 2 18 18 U H2' H 1 4.339 0.006 . 1 . . . B 57 U H2' . 19547 2 248 . 2 2 18 18 U H3 H 1 14.043 0.012 . 1 . . . B 57 U H3 . 19547 2 249 . 2 2 18 18 U H3' H 1 4.498 0.011 . 1 . . . B 57 U H3' . 19547 2 250 . 2 2 18 18 U H4' H 1 4.415 0.004 . 1 . . . B 57 U H4' . 19547 2 251 . 2 2 18 18 U H5 H 1 4.979 0.017 . 1 . . . B 57 U H5 . 19547 2 252 . 2 2 18 18 U H5' H 1 4.582 0.004 . 2 . . . B 57 U H5' . 19547 2 253 . 2 2 18 18 U H5'' H 1 4.090 0.005 . 2 . . . B 57 U H5'' . 19547 2 254 . 2 2 18 18 U H6 H 1 7.853 0.013 . 1 . . . B 57 U H6 . 19547 2 255 . 2 2 18 18 U C1' C 13 93.430 0.021 . 1 . . . B 57 U C1' . 19547 2 256 . 2 2 18 18 U C2' C 13 75.441 0.060 . 1 . . . B 57 U C2' . 19547 2 257 . 2 2 18 18 U C3' C 13 72.369 0.181 . 1 . . . B 57 U C3' . 19547 2 258 . 2 2 18 18 U C4' C 13 82.039 0.035 . 1 . . . B 57 U C4' . 19547 2 259 . 2 2 18 18 U C5 C 13 102.413 0.061 . 1 . . . B 57 U C5 . 19547 2 260 . 2 2 18 18 U C5' C 13 64.250 0.150 . 1 . . . B 57 U C5' . 19547 2 261 . 2 2 18 18 U C6 C 13 142.185 0.048 . 1 . . . B 57 U C6 . 19547 2 262 . 2 2 18 18 U N3 N 15 162.646 0.000 . 1 . . . B 57 U N3 . 19547 2 263 . 2 2 19 19 C H1' H 1 5.583 0.009 . 1 . . . B 58 C H1' . 19547 2 264 . 2 2 19 19 C H2' H 1 4.286 0.006 . 1 . . . B 58 C H2' . 19547 2 265 . 2 2 19 19 C H3' H 1 4.464 0.011 . 1 . . . B 58 C H3' . 19547 2 266 . 2 2 19 19 C H4' H 1 4.414 0.003 . 1 . . . B 58 C H4' . 19547 2 267 . 2 2 19 19 C H5 H 1 5.558 0.006 . 1 . . . B 58 C H5 . 19547 2 268 . 2 2 19 19 C H5' H 1 4.529 0.001 . 2 . . . B 58 C H5' . 19547 2 269 . 2 2 19 19 C H5'' H 1 4.068 0.010 . 2 . . . B 58 C H5'' . 19547 2 270 . 2 2 19 19 C H6 H 1 7.898 0.008 . 1 . . . B 58 C H6 . 19547 2 271 . 2 2 19 19 C H41 H 1 8.310 0.000 . 2 . . . B 58 C H41 . 19547 2 272 . 2 2 19 19 C H42 H 1 6.786 0.000 . 2 . . . B 58 C H42 . 19547 2 273 . 2 2 19 19 C C1' C 13 93.941 0.067 . 1 . . . B 58 C C1' . 19547 2 274 . 2 2 19 19 C C2' C 13 75.583 0.027 . 1 . . . B 58 C C2' . 19547 2 275 . 2 2 19 19 C C3' C 13 72.171 0.095 . 1 . . . B 58 C C3' . 19547 2 276 . 2 2 19 19 C C4' C 13 81.937 0.069 . 1 . . . B 58 C C4' . 19547 2 277 . 2 2 19 19 C C5 C 13 97.831 0.666 . 1 . . . B 58 C C5 . 19547 2 278 . 2 2 19 19 C C5' C 13 64.636 0.021 . 1 . . . B 58 C C5' . 19547 2 279 . 2 2 19 19 C C6 C 13 141.721 0.021 . 1 . . . B 58 C C6 . 19547 2 280 . 2 2 20 20 C H1' H 1 5.449 0.006 . 1 . . . B 59 C H1' . 19547 2 281 . 2 2 20 20 C H2' H 1 4.217 0.010 . 1 . . . B 59 C H2' . 19547 2 282 . 2 2 20 20 C H3' H 1 4.468 0.005 . 1 . . . B 59 C H3' . 19547 2 283 . 2 2 20 20 C H4' H 1 4.367 0.008 . 1 . . . B 59 C H4' . 19547 2 284 . 2 2 20 20 C H5 H 1 5.436 0.005 . 1 . . . B 59 C H5 . 19547 2 285 . 2 2 20 20 C H5' H 1 4.558 0.000 . 2 . . . B 59 C H5' . 19547 2 286 . 2 2 20 20 C H5'' H 1 4.037 0.017 . 2 . . . B 59 C H5'' . 19547 2 287 . 2 2 20 20 C H6 H 1 7.776 0.012 . 1 . . . B 59 C H6 . 19547 2 288 . 2 2 20 20 C C1' C 13 94.254 0.033 . 1 . . . B 59 C C1' . 19547 2 289 . 2 2 20 20 C C2' C 13 75.587 0.025 . 1 . . . B 59 C C2' . 19547 2 290 . 2 2 20 20 C C3' C 13 72.204 0.081 . 1 . . . B 59 C C3' . 19547 2 291 . 2 2 20 20 C C4' C 13 81.979 0.031 . 1 . . . B 59 C C4' . 19547 2 292 . 2 2 20 20 C C5 C 13 97.485 0.041 . 1 . . . B 59 C C5 . 19547 2 293 . 2 2 20 20 C C5' C 13 64.454 0.035 . 1 . . . B 59 C C5' . 19547 2 294 . 2 2 20 20 C C6 C 13 141.544 0.169 . 1 . . . B 59 C C6 . 19547 2 295 . 2 2 21 21 C H1' H 1 5.735 0.006 . 1 . . . B 60 C H1' . 19547 2 296 . 2 2 21 21 C H2' H 1 3.975 0.005 . 1 . . . B 60 C H2' . 19547 2 297 . 2 2 21 21 C H3' H 1 4.156 0.004 . 1 . . . B 60 C H3' . 19547 2 298 . 2 2 21 21 C H4' H 1 4.152 0.011 . 1 . . . B 60 C H4' . 19547 2 299 . 2 2 21 21 C H5 H 1 5.454 0.008 . 1 . . . B 60 C H5 . 19547 2 300 . 2 2 21 21 C H5' H 1 4.455 0.006 . 2 . . . B 60 C H5' . 19547 2 301 . 2 2 21 21 C H5'' H 1 4.005 0.000 . 2 . . . B 60 C H5'' . 19547 2 302 . 2 2 21 21 C H6 H 1 7.656 0.005 . 1 . . . B 60 C H6 . 19547 2 303 . 2 2 21 21 C C1' C 13 92.891 0.058 . 1 . . . B 60 C C1' . 19547 2 304 . 2 2 21 21 C C2' C 13 77.559 0.009 . 1 . . . B 60 C C2' . 19547 2 305 . 2 2 21 21 C C3' C 13 69.897 0.007 . 1 . . . B 60 C C3' . 19547 2 306 . 2 2 21 21 C C4' C 13 83.671 0.008 . 1 . . . B 60 C C4' . 19547 2 307 . 2 2 21 21 C C5 C 13 98.031 0.033 . 1 . . . B 60 C C5 . 19547 2 308 . 2 2 21 21 C C5' C 13 65.203 0.073 . 1 . . . B 60 C C5' . 19547 2 309 . 2 2 21 21 C C6 C 13 141.837 0.171 . 1 . . . B 60 C C6 . 19547 2 stop_ save_