data_19548 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19548 _Entry.Title ; Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL4)/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 . . . 19548 2 Nana 'Diarra Dit Konte' . . . 19548 3 Erich Michel . . . 19548 4 Mario Schubert . . . 19548 5 Frederic Allain . 'H. T.' . 19548 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' . 19548 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'bacterial protein' . 19548 CsrA . 19548 CsrB . 19548 'homo-dimeric protein' . 19548 'messenger RNA' . 19548 'modulation of binding affinity' . 19548 'molecular mimicry' . 19548 NMR . 19548 'non-coding RNA' . 19548 'protein sequestration' . 19548 'Pseudomonas aeruginosa' . 19548 'RNA-Binding Proteins' . 19548 RsmA . 19548 RsmE . 19548 RsmZ . 19548 sRNA . 19548 'translation activation' . 19548 'translation repressor protein' . 19548 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19548 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 19548 '15N chemical shifts' 81 19548 '1H chemical shifts' 639 19548 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' 19548 1 . . 2014-02-24 2013-10-11 original author 'original release' 19548 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' 19548 BMRB 19546 'RsmZ(SL2)/RsmE(dimer) 2:1 complex' 19548 BMRB 19547 'RsmZ(SL3)/RsmE(dimer) 2:1 complex' 19548 BMRB 19549 'RsmZ(36-44)/RsmE(dimer) 2:1 complex' 19548 PDB 2MFG 'BMRB Entry Tracking System' 19548 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19548 _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 . . . 19548 1 2 Erich Michel . . . 19548 1 3 Nana 'Diarra Dit Konte' . . . 19548 1 4 Mario Schubert . . . 19548 1 5 'Frederic H-T' Allain . . . 19548 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19548 _Assembly.ID 1 _Assembly.Name 'RsmZ(SL4)/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 . . . 19548 1 2 SL4(RsmZ)_1 2 $SL4(RsmZ) B . yes native no no . . . 19548 1 3 RsmE_2 1 $RsmE C . yes native no no . . . 19548 1 4 SL4(RsmZ)_2 2 $SL4(RsmZ) D . yes native no no . . . 19548 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RsmE _Entity.Sf_category entity _Entity.Sf_framecode RsmE _Entity.Entry_ID 19548 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15257 . RsmE . . . . . 100.00 70 100.00 100.00 2.92e-37 . . . . 19548 1 2 no BMRB 19534 . RsmE . . . . . 90.77 59 100.00 100.00 4.36e-32 . . . . 19548 1 3 no BMRB 19544 . RsmE . . . . . 100.00 65 100.00 100.00 2.60e-37 . . . . 19548 1 4 no BMRB 19546 . RsmE . . . . . 100.00 65 100.00 100.00 2.60e-37 . . . . 19548 1 5 no BMRB 19547 . RsmE . . . . . 100.00 65 100.00 100.00 2.60e-37 . . . . 19548 1 6 no BMRB 19549 . RsmE . . . . . 100.00 65 100.00 100.00 2.60e-37 . . . . 19548 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 2.92e-37 . . . . 19548 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 2.92e-37 . . . . 19548 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 2.92e-37 . . . . 19548 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 2.92e-37 . . . . 19548 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 2.92e-37 . . . . 19548 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 2.92e-37 . . . . 19548 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 2.92e-37 . . . . 19548 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 2.92e-37 . . . . 19548 1 15 no DBJ BAO61455 . "carbon storage regulator [Pseudomonas protegens Cab57]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19548 1 16 no DBJ BAQ73744 . "translational regulator RsmE [Pseudomonas sp. Os17]" . . . . . 98.46 64 98.44 100.00 1.41e-35 . . . . 19548 1 17 no DBJ BAQ80031 . "translational regulator RsmE [Pseudomonas sp. St29]" . . . . . 98.46 64 98.44 100.00 1.41e-35 . . . . 19548 1 18 no GB AAT27429 . "translational repressor [Pseudomonas protegens]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19548 1 19 no GB AAY91370 . "translational regulator RsmE [Pseudomonas protegens Pf-5]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19548 1 20 no GB AEL31265 . "RsmE [Pseudomonas chlororaphis]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19548 1 21 no GB AGL83913 . "carbon storage regulator [Pseudomonas protegens CHA0]" . . . . . 98.46 77 100.00 100.00 2.65e-36 . . . . 19548 1 22 no GB AIC19187 . "carbon storage regulator CsrA [Pseudomonas chlororaphis]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19548 1 23 no REF WP_007920550 . "MULTISPECIES: carbon storage regulator [Pseudomonas]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19548 1 24 no REF WP_017337657 . "MULTISPECIES: carbon storage regulator [Pseudomonas]" . . . . . 92.31 63 100.00 100.00 1.10e-32 . . . . 19548 1 25 no REF WP_045057924 . "carbon storage regulator [Pseudomonas sp. ES3-33]" . . . . . 92.31 63 100.00 100.00 1.02e-32 . . . . 19548 1 26 no REF WP_057444113 . "carbon storage regulator CsrA [Pseudomonas fluorescens]" . . . . . 92.31 70 100.00 100.00 1.50e-32 . . . . 19548 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 . 19548 1 2 2 LEU . 19548 1 3 3 ILE . 19548 1 4 4 LEU . 19548 1 5 5 THR . 19548 1 6 6 ARG . 19548 1 7 7 LYS . 19548 1 8 8 VAL . 19548 1 9 9 GLY . 19548 1 10 10 GLU . 19548 1 11 11 SER . 19548 1 12 12 ILE . 19548 1 13 13 ASN . 19548 1 14 14 ILE . 19548 1 15 15 GLY . 19548 1 16 16 ASP . 19548 1 17 17 ASP . 19548 1 18 18 ILE . 19548 1 19 19 THR . 19548 1 20 20 ILE . 19548 1 21 21 THR . 19548 1 22 22 ILE . 19548 1 23 23 LEU . 19548 1 24 24 GLY . 19548 1 25 25 VAL . 19548 1 26 26 SER . 19548 1 27 27 GLY . 19548 1 28 28 GLN . 19548 1 29 29 GLN . 19548 1 30 30 VAL . 19548 1 31 31 ARG . 19548 1 32 32 ILE . 19548 1 33 33 GLY . 19548 1 34 34 ILE . 19548 1 35 35 ASN . 19548 1 36 36 ALA . 19548 1 37 37 PRO . 19548 1 38 38 LYS . 19548 1 39 39 ASP . 19548 1 40 40 VAL . 19548 1 41 41 ALA . 19548 1 42 42 VAL . 19548 1 43 43 HIS . 19548 1 44 44 ARG . 19548 1 45 45 GLU . 19548 1 46 46 GLU . 19548 1 47 47 ILE . 19548 1 48 48 TYR . 19548 1 49 49 GLN . 19548 1 50 50 ARG . 19548 1 51 51 ILE . 19548 1 52 52 GLN . 19548 1 53 53 ALA . 19548 1 54 54 GLY . 19548 1 55 55 LEU . 19548 1 56 56 THR . 19548 1 57 57 ALA . 19548 1 58 58 PRO . 19548 1 59 59 ASP . 19548 1 60 60 LYS . 19548 1 61 61 ARG . 19548 1 62 62 GLU . 19548 1 63 63 THR . 19548 1 64 64 PRO . 19548 1 65 65 HIS . 19548 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 19548 1 . LEU 2 2 19548 1 . ILE 3 3 19548 1 . LEU 4 4 19548 1 . THR 5 5 19548 1 . ARG 6 6 19548 1 . LYS 7 7 19548 1 . VAL 8 8 19548 1 . GLY 9 9 19548 1 . GLU 10 10 19548 1 . SER 11 11 19548 1 . ILE 12 12 19548 1 . ASN 13 13 19548 1 . ILE 14 14 19548 1 . GLY 15 15 19548 1 . ASP 16 16 19548 1 . ASP 17 17 19548 1 . ILE 18 18 19548 1 . THR 19 19 19548 1 . ILE 20 20 19548 1 . THR 21 21 19548 1 . ILE 22 22 19548 1 . LEU 23 23 19548 1 . GLY 24 24 19548 1 . VAL 25 25 19548 1 . SER 26 26 19548 1 . GLY 27 27 19548 1 . GLN 28 28 19548 1 . GLN 29 29 19548 1 . VAL 30 30 19548 1 . ARG 31 31 19548 1 . ILE 32 32 19548 1 . GLY 33 33 19548 1 . ILE 34 34 19548 1 . ASN 35 35 19548 1 . ALA 36 36 19548 1 . PRO 37 37 19548 1 . LYS 38 38 19548 1 . ASP 39 39 19548 1 . VAL 40 40 19548 1 . ALA 41 41 19548 1 . VAL 42 42 19548 1 . HIS 43 43 19548 1 . ARG 44 44 19548 1 . GLU 45 45 19548 1 . GLU 46 46 19548 1 . ILE 47 47 19548 1 . TYR 48 48 19548 1 . GLN 49 49 19548 1 . ARG 50 50 19548 1 . ILE 51 51 19548 1 . GLN 52 52 19548 1 . ALA 53 53 19548 1 . GLY 54 54 19548 1 . LEU 55 55 19548 1 . THR 56 56 19548 1 . ALA 57 57 19548 1 . PRO 58 58 19548 1 . ASP 59 59 19548 1 . LYS 60 60 19548 1 . ARG 61 61 19548 1 . GLU 62 62 19548 1 . THR 63 63 19548 1 . PRO 64 64 19548 1 . HIS 65 65 19548 1 stop_ save_ save_SL4(RsmZ) _Entity.Sf_category entity _Entity.Sf_framecode SL4(RsmZ) _Entity.Entry_ID 19548 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SL4(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 ; GGGUCAUCAGGACGAUGACC 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 6767.146 _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 55 G . 19548 2 2 56 G . 19548 2 3 57 G . 19548 2 4 58 U . 19548 2 5 59 C . 19548 2 6 60 A . 19548 2 7 61 U . 19548 2 8 62 C . 19548 2 9 63 A . 19548 2 10 64 G . 19548 2 11 65 G . 19548 2 12 66 A . 19548 2 13 67 C . 19548 2 14 68 G . 19548 2 15 69 A . 19548 2 16 70 U . 19548 2 17 71 G . 19548 2 18 72 A . 19548 2 19 73 C . 19548 2 20 74 C . 19548 2 21 75 C . 19548 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 19548 2 . G 2 2 19548 2 . G 3 3 19548 2 . U 4 4 19548 2 . C 5 5 19548 2 . A 6 6 19548 2 . U 7 7 19548 2 . C 8 8 19548 2 . A 9 9 19548 2 . G 10 10 19548 2 . G 11 11 19548 2 . A 12 12 19548 2 . C 13 13 19548 2 . G 14 14 19548 2 . A 15 15 19548 2 . U 16 16 19548 2 . G 17 17 19548 2 . A 18 18 19548 2 . C 19 19 19548 2 . C 20 20 19548 2 . C 21 21 19548 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 19548 _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 . . . . . . . . . . . . . . . . . . . . 19548 1 2 2 $SL4(RsmZ) . 294 organism . 'Pseudomonas fluorescens' g-proteobacteria . . Bacteria . Pseudomonas fluorescens CHA0 . . . . . . . . . . . . . . . . . . . . 19548 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 19548 _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 . . . . . . 19548 1 2 2 $SL4(RsmZ) . 'in vitro transcription' 'phage T7' . . . phage T7 . . . . . . . . . . . . . . . . . . . . . . . 19548 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19548 _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 . . . . 19548 1 2 SL4(RsmZ) 'natural abundance' . . 2 $SL4(RsmZ) . . 1 . . mM . . . . 19548 1 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19548 1 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19548 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19548 1 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19548 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19548 _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 . . . . 19548 2 2 SL4(RsmZ) 'natural abundance' . . 2 $SL4(RsmZ) . . 1 . . mM . . . . 19548 2 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19548 2 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19548 2 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19548 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19548 _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 . . . . 19548 3 2 SL4(RsmZ) 'natural abundance' . . 2 $SL4(RsmZ) . . 1 . . mM . . . . 19548 3 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19548 3 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19548 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19548 3 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19548 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19548 _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 . . . . 19548 4 2 SL4(RsmZ) 'natural abundance' . . 2 $SL4(RsmZ) . . 1 . . mM . . . . 19548 4 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19548 4 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19548 4 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19548 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19548 _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 . . . . 19548 5 2 SL4(RsmZ) '[U-100% 13C; U-100% 15N]-Ade/Ura RNA' . . 2 $SL4(RsmZ) . . 1 . . mM . . . . 19548 5 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19548 5 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19548 5 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19548 5 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19548 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19548 _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 . . . . 19548 6 2 SL4(RsmZ) '[U-100% 13C; U-100% 15N]-Ade/Ura RNA' . . 2 $SL4(RsmZ) . . 1 . . mM . . . . 19548 6 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19548 6 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19548 6 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19548 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 19548 _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 . . . . 19548 7 2 SL4(RsmZ) '[U-100% 13C; U-100% 15N]-Cyt/Gua RNA' . . 2 $SL4(RsmZ) . . 1 . . mM . . . . 19548 7 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19548 7 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19548 7 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19548 7 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19548 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 19548 _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 . . . . 19548 8 2 SL4(RsmZ) '[U-100% 13C; U-100% 15N]-Cyt/Gua RNA' . . 2 $SL4(RsmZ) . . 1 . . mM . . . . 19548 8 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19548 8 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19548 8 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19548 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 19548 _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 19548 1 pH 7.2 . pH 19548 1 pressure 1 . atm 19548 1 temperature 313 . K 19548 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19548 _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' . . 19548 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19548 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19548 _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 . . 19548 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19548 2 'data analysis' 19548 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19548 _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' . . 19548 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19548 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19548 _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' . . 19548 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19548 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 19548 _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 19548 _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 19548 _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 19548 _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 19548 _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 . . . 19548 1 2 spectrometer_2 Bruker Avance . 600 . . . 19548 1 3 spectrometer_3 Bruker Avance . 700 . . . 19548 1 4 spectrometer_4 Bruker Avance . 900 . . . 19548 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 19548 _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 . . . . . . . . . . . . . . . . . . . . . 19548 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 7 '3D 1Fe3Ff NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 9 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 10 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 17 '3D 1H-13C NOESY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 18 '3D 1Fe3Ff NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 19 '3D 1Fe3Ff NOESY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 20 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 1 21 '3D HCCH-TOCSY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19548 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 19548 _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 . . . . . . . . . 19548 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19548 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19548 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 19548 _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' . . . 19548 1 2 '3D 1H-15N NOESY' . . . 19548 1 5 '2D 1H-13C HSQC' . . . 19548 1 6 '3D 1H-13C NOESY aliphatic' . . . 19548 1 8 '3D HCCH-TOCSY' . . . 19548 1 9 '3D HNCA' . . . 19548 1 10 '3D HNCACB' . . . 19548 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 4.040 0.008 . 1 . . . A 1 MET HA . 19548 1 2 . 1 1 1 1 MET HB2 H 1 1.939 0.007 . 2 . . . A 1 MET HB2 . 19548 1 3 . 1 1 1 1 MET HB3 H 1 1.939 0.007 . 2 . . . A 1 MET HB3 . 19548 1 4 . 1 1 1 1 MET HG2 H 1 2.321 0.010 . 2 . . . A 1 MET HG2 . 19548 1 5 . 1 1 1 1 MET HG3 H 1 2.321 0.010 . 2 . . . A 1 MET HG3 . 19548 1 6 . 1 1 1 1 MET HE1 H 1 1.936 0.006 . 1 . . . A 1 MET HE1 . 19548 1 7 . 1 1 1 1 MET HE2 H 1 1.936 0.006 . 1 . . . A 1 MET HE2 . 19548 1 8 . 1 1 1 1 MET HE3 H 1 1.936 0.006 . 1 . . . A 1 MET HE3 . 19548 1 9 . 1 1 1 1 MET CA C 13 55.506 0.000 . 1 . . . A 1 MET CA . 19548 1 10 . 1 1 1 1 MET CB C 13 34.977 0.089 . 1 . . . A 1 MET CB . 19548 1 11 . 1 1 1 1 MET CG C 13 30.899 0.139 . 1 . . . A 1 MET CG . 19548 1 12 . 1 1 1 1 MET CE C 13 17.172 0.038 . 1 . . . A 1 MET CE . 19548 1 13 . 1 1 2 2 LEU H H 1 8.411 0.003 . 1 . . . A 2 LEU H . 19548 1 14 . 1 1 2 2 LEU HA H 1 4.481 0.004 . 1 . . . A 2 LEU HA . 19548 1 15 . 1 1 2 2 LEU HB2 H 1 1.398 0.013 . 2 . . . A 2 LEU HB2 . 19548 1 16 . 1 1 2 2 LEU HB3 H 1 1.030 0.036 . 2 . . . A 2 LEU HB3 . 19548 1 17 . 1 1 2 2 LEU HG H 1 0.814 0.017 . 1 . . . A 2 LEU HG . 19548 1 18 . 1 1 2 2 LEU HD11 H 1 -0.345 0.010 . 2 . . . A 2 LEU HD11 . 19548 1 19 . 1 1 2 2 LEU HD12 H 1 -0.345 0.010 . 2 . . . A 2 LEU HD12 . 19548 1 20 . 1 1 2 2 LEU HD13 H 1 -0.345 0.010 . 2 . . . A 2 LEU HD13 . 19548 1 21 . 1 1 2 2 LEU HD21 H 1 0.365 0.008 . 2 . . . A 2 LEU HD21 . 19548 1 22 . 1 1 2 2 LEU HD22 H 1 0.365 0.008 . 2 . . . A 2 LEU HD22 . 19548 1 23 . 1 1 2 2 LEU HD23 H 1 0.365 0.008 . 2 . . . A 2 LEU HD23 . 19548 1 24 . 1 1 2 2 LEU CA C 13 54.502 0.246 . 1 . . . A 2 LEU CA . 19548 1 25 . 1 1 2 2 LEU CB C 13 42.410 0.007 . 1 . . . A 2 LEU CB . 19548 1 26 . 1 1 2 2 LEU CG C 13 27.300 0.168 . 1 . . . A 2 LEU CG . 19548 1 27 . 1 1 2 2 LEU CD1 C 13 25.655 0.019 . 2 . . . A 2 LEU CD1 . 19548 1 28 . 1 1 2 2 LEU CD2 C 13 22.099 0.020 . 2 . . . A 2 LEU CD2 . 19548 1 29 . 1 1 2 2 LEU N N 15 124.817 0.147 . 1 . . . A 2 LEU N . 19548 1 30 . 1 1 3 3 ILE H H 1 10.326 0.005 . 1 . . . A 3 ILE H . 19548 1 31 . 1 1 3 3 ILE HA H 1 4.979 0.004 . 1 . . . A 3 ILE HA . 19548 1 32 . 1 1 3 3 ILE HB H 1 1.394 0.014 . 1 . . . A 3 ILE HB . 19548 1 33 . 1 1 3 3 ILE HG12 H 1 1.351 0.020 . 2 . . . A 3 ILE HG12 . 19548 1 34 . 1 1 3 3 ILE HG13 H 1 0.881 0.011 . 2 . . . A 3 ILE HG13 . 19548 1 35 . 1 1 3 3 ILE HG21 H 1 0.659 0.013 . 1 . . . A 3 ILE HG21 . 19548 1 36 . 1 1 3 3 ILE HG22 H 1 0.659 0.013 . 1 . . . A 3 ILE HG22 . 19548 1 37 . 1 1 3 3 ILE HG23 H 1 0.659 0.013 . 1 . . . A 3 ILE HG23 . 19548 1 38 . 1 1 3 3 ILE HD11 H 1 0.677 0.010 . 1 . . . A 3 ILE HD11 . 19548 1 39 . 1 1 3 3 ILE HD12 H 1 0.677 0.010 . 1 . . . A 3 ILE HD12 . 19548 1 40 . 1 1 3 3 ILE HD13 H 1 0.677 0.010 . 1 . . . A 3 ILE HD13 . 19548 1 41 . 1 1 3 3 ILE CA C 13 60.021 0.082 . 1 . . . A 3 ILE CA . 19548 1 42 . 1 1 3 3 ILE CB C 13 37.984 0.130 . 1 . . . A 3 ILE CB . 19548 1 43 . 1 1 3 3 ILE CG1 C 13 27.512 0.108 . 1 . . . A 3 ILE CG1 . 19548 1 44 . 1 1 3 3 ILE CG2 C 13 17.585 0.164 . 1 . . . A 3 ILE CG2 . 19548 1 45 . 1 1 3 3 ILE CD1 C 13 13.653 0.000 . 1 . . . A 3 ILE CD1 . 19548 1 46 . 1 1 3 3 ILE N N 15 130.687 0.004 . 1 . . . A 3 ILE N . 19548 1 47 . 1 1 4 4 LEU H H 1 8.793 0.003 . 1 . . . A 4 LEU H . 19548 1 48 . 1 1 4 4 LEU HA H 1 4.783 0.009 . 1 . . . A 4 LEU HA . 19548 1 49 . 1 1 4 4 LEU HB2 H 1 1.261 0.004 . 2 . . . A 4 LEU HB2 . 19548 1 50 . 1 1 4 4 LEU HB3 H 1 0.846 0.000 . 2 . . . A 4 LEU HB3 . 19548 1 51 . 1 1 4 4 LEU HG H 1 1.046 0.008 . 1 . . . A 4 LEU HG . 19548 1 52 . 1 1 4 4 LEU HD11 H 1 0.286 0.013 . 2 . . . A 4 LEU HD11 . 19548 1 53 . 1 1 4 4 LEU HD12 H 1 0.286 0.013 . 2 . . . A 4 LEU HD12 . 19548 1 54 . 1 1 4 4 LEU HD13 H 1 0.286 0.013 . 2 . . . A 4 LEU HD13 . 19548 1 55 . 1 1 4 4 LEU HD21 H 1 0.042 0.009 . 2 . . . A 4 LEU HD21 . 19548 1 56 . 1 1 4 4 LEU HD22 H 1 0.042 0.009 . 2 . . . A 4 LEU HD22 . 19548 1 57 . 1 1 4 4 LEU HD23 H 1 0.042 0.009 . 2 . . . A 4 LEU HD23 . 19548 1 58 . 1 1 4 4 LEU CA C 13 52.591 0.011 . 1 . . . A 4 LEU CA . 19548 1 59 . 1 1 4 4 LEU CB C 13 46.491 0.001 . 1 . . . A 4 LEU CB . 19548 1 60 . 1 1 4 4 LEU CG C 13 26.503 0.135 . 1 . . . A 4 LEU CG . 19548 1 61 . 1 1 4 4 LEU CD1 C 13 26.124 0.039 . 2 . . . A 4 LEU CD1 . 19548 1 62 . 1 1 4 4 LEU CD2 C 13 23.304 0.008 . 2 . . . A 4 LEU CD2 . 19548 1 63 . 1 1 4 4 LEU N N 15 123.391 0.095 . 1 . . . A 4 LEU N . 19548 1 64 . 1 1 5 5 THR HA H 1 5.491 0.006 . 1 . . . A 5 THR HA . 19548 1 65 . 1 1 5 5 THR HB H 1 4.053 0.011 . 1 . . . A 5 THR HB . 19548 1 66 . 1 1 5 5 THR HG21 H 1 1.065 0.003 . 1 . . . A 5 THR HG21 . 19548 1 67 . 1 1 5 5 THR HG22 H 1 1.065 0.003 . 1 . . . A 5 THR HG22 . 19548 1 68 . 1 1 5 5 THR HG23 H 1 1.065 0.003 . 1 . . . A 5 THR HG23 . 19548 1 69 . 1 1 5 5 THR CA C 13 61.148 0.000 . 1 . . . A 5 THR CA . 19548 1 70 . 1 1 5 5 THR CB C 13 69.731 0.000 . 1 . . . A 5 THR CB . 19548 1 71 . 1 1 5 5 THR CG2 C 13 22.024 0.032 . 1 . . . A 5 THR CG2 . 19548 1 72 . 1 1 6 6 ARG H H 1 9.367 0.015 . 1 . . . A 6 ARG H . 19548 1 73 . 1 1 6 6 ARG HA H 1 4.965 0.004 . 1 . . . A 6 ARG HA . 19548 1 74 . 1 1 6 6 ARG HB2 H 1 1.870 0.006 . 2 . . . A 6 ARG HB2 . 19548 1 75 . 1 1 6 6 ARG HB3 H 1 1.677 0.003 . 2 . . . A 6 ARG HB3 . 19548 1 76 . 1 1 6 6 ARG HD2 H 1 2.980 0.000 . 2 . . . A 6 ARG HD2 . 19548 1 77 . 1 1 6 6 ARG HD3 H 1 2.916 0.000 . 2 . . . A 6 ARG HD3 . 19548 1 78 . 1 1 6 6 ARG HE H 1 8.473 0.012 . 1 . . . A 6 ARG HE . 19548 1 79 . 1 1 6 6 ARG CA C 13 55.121 0.028 . 1 . . . A 6 ARG CA . 19548 1 80 . 1 1 6 6 ARG CB C 13 38.407 0.033 . 1 . . . A 6 ARG CB . 19548 1 81 . 1 1 6 6 ARG CD C 13 45.502 0.023 . 1 . . . A 6 ARG CD . 19548 1 82 . 1 1 6 6 ARG N N 15 125.087 0.000 . 1 . . . A 6 ARG N . 19548 1 83 . 1 1 6 6 ARG NE N 15 82.702 0.028 . 1 . . . A 6 ARG NE . 19548 1 84 . 1 1 7 7 LYS H H 1 9.406 0.003 . 1 . . . A 7 LYS H . 19548 1 85 . 1 1 7 7 LYS HA H 1 5.098 0.021 . 1 . . . A 7 LYS HA . 19548 1 86 . 1 1 7 7 LYS HB2 H 1 1.884 0.000 . 2 . . . A 7 LYS HB2 . 19548 1 87 . 1 1 7 7 LYS HB3 H 1 1.409 0.000 . 2 . . . A 7 LYS HB3 . 19548 1 88 . 1 1 7 7 LYS HG2 H 1 1.409 0.003 . 2 . . . A 7 LYS HG2 . 19548 1 89 . 1 1 7 7 LYS HG3 H 1 1.369 0.023 . 2 . . . A 7 LYS HG3 . 19548 1 90 . 1 1 7 7 LYS HD2 H 1 1.670 0.006 . 2 . . . A 7 LYS HD2 . 19548 1 91 . 1 1 7 7 LYS HD3 H 1 1.637 0.005 . 2 . . . A 7 LYS HD3 . 19548 1 92 . 1 1 7 7 LYS HE2 H 1 2.929 0.009 . 2 . . . A 7 LYS HE2 . 19548 1 93 . 1 1 7 7 LYS HE3 H 1 2.929 0.009 . 2 . . . A 7 LYS HE3 . 19548 1 94 . 1 1 7 7 LYS CA C 13 54.249 0.000 . 1 . . . A 7 LYS CA . 19548 1 95 . 1 1 7 7 LYS CB C 13 34.255 0.040 . 1 . . . A 7 LYS CB . 19548 1 96 . 1 1 7 7 LYS CG C 13 25.417 0.132 . 1 . . . A 7 LYS CG . 19548 1 97 . 1 1 7 7 LYS CD C 13 29.450 0.026 . 1 . . . A 7 LYS CD . 19548 1 98 . 1 1 7 7 LYS CE C 13 42.044 0.062 . 1 . . . A 7 LYS CE . 19548 1 99 . 1 1 7 7 LYS N N 15 123.260 0.000 . 1 . . . A 7 LYS N . 19548 1 100 . 1 1 8 8 VAL H H 1 7.764 0.013 . 1 . . . A 8 VAL H . 19548 1 101 . 1 1 8 8 VAL HA H 1 3.307 0.000 . 1 . . . A 8 VAL HA . 19548 1 102 . 1 1 8 8 VAL HB H 1 1.943 0.008 . 1 . . . A 8 VAL HB . 19548 1 103 . 1 1 8 8 VAL HG11 H 1 1.005 0.000 . 2 . . . A 8 VAL HG11 . 19548 1 104 . 1 1 8 8 VAL HG12 H 1 1.005 0.000 . 2 . . . A 8 VAL HG12 . 19548 1 105 . 1 1 8 8 VAL HG13 H 1 1.005 0.000 . 2 . . . A 8 VAL HG13 . 19548 1 106 . 1 1 8 8 VAL HG21 H 1 0.849 0.000 . 2 . . . A 8 VAL HG21 . 19548 1 107 . 1 1 8 8 VAL HG22 H 1 0.849 0.000 . 2 . . . A 8 VAL HG22 . 19548 1 108 . 1 1 8 8 VAL HG23 H 1 0.849 0.000 . 2 . . . A 8 VAL HG23 . 19548 1 109 . 1 1 8 8 VAL CA C 13 65.977 0.000 . 1 . . . A 8 VAL CA . 19548 1 110 . 1 1 8 8 VAL CB C 13 31.572 0.023 . 1 . . . A 8 VAL CB . 19548 1 111 . 1 1 8 8 VAL CG1 C 13 23.162 0.000 . 2 . . . A 8 VAL CG1 . 19548 1 112 . 1 1 8 8 VAL CG2 C 13 21.200 0.000 . 2 . . . A 8 VAL CG2 . 19548 1 113 . 1 1 8 8 VAL N N 15 118.507 0.023 . 1 . . . A 8 VAL N . 19548 1 114 . 1 1 9 9 GLY H H 1 9.238 0.011 . 1 . . . A 9 GLY H . 19548 1 115 . 1 1 9 9 GLY HA2 H 1 3.617 0.000 . 2 . . . A 9 GLY HA2 . 19548 1 116 . 1 1 9 9 GLY HA3 H 1 4.400 0.000 . 2 . . . A 9 GLY HA3 . 19548 1 117 . 1 1 9 9 GLY CA C 13 44.575 0.048 . 1 . . . A 9 GLY CA . 19548 1 118 . 1 1 9 9 GLY N N 15 116.023 0.000 . 1 . . . A 9 GLY N . 19548 1 119 . 1 1 10 10 GLU H H 1 8.401 0.000 . 1 . . . A 10 GLU H . 19548 1 120 . 1 1 10 10 GLU HA H 1 4.892 0.000 . 1 . . . A 10 GLU HA . 19548 1 121 . 1 1 10 10 GLU HB2 H 1 2.561 0.003 . 2 . . . A 10 GLU HB2 . 19548 1 122 . 1 1 10 10 GLU HG2 H 1 2.167 0.000 . 2 . . . A 10 GLU HG2 . 19548 1 123 . 1 1 10 10 GLU HG3 H 1 2.167 0.000 . 2 . . . A 10 GLU HG3 . 19548 1 124 . 1 1 10 10 GLU CA C 13 55.758 0.000 . 1 . . . A 10 GLU CA . 19548 1 125 . 1 1 10 10 GLU CB C 13 32.841 0.075 . 1 . . . A 10 GLU CB . 19548 1 126 . 1 1 10 10 GLU CG C 13 37.657 0.000 . 1 . . . A 10 GLU CG . 19548 1 127 . 1 1 10 10 GLU N N 15 119.392 0.000 . 1 . . . A 10 GLU N . 19548 1 128 . 1 1 11 11 SER H H 1 8.618 0.005 . 1 . . . A 11 SER H . 19548 1 129 . 1 1 11 11 SER HA H 1 5.870 0.007 . 1 . . . A 11 SER HA . 19548 1 130 . 1 1 11 11 SER HB2 H 1 3.602 0.000 . 2 . . . A 11 SER HB2 . 19548 1 131 . 1 1 11 11 SER HB3 H 1 3.494 0.000 . 2 . . . A 11 SER HB3 . 19548 1 132 . 1 1 11 11 SER CA C 13 57.964 0.000 . 1 . . . A 11 SER CA . 19548 1 133 . 1 1 11 11 SER CB C 13 66.971 0.001 . 1 . . . A 11 SER CB . 19548 1 134 . 1 1 11 11 SER N N 15 112.280 0.000 . 1 . . . A 11 SER N . 19548 1 135 . 1 1 12 12 ILE H H 1 9.328 0.031 . 1 . . . A 12 ILE H . 19548 1 136 . 1 1 12 12 ILE HA H 1 4.354 0.000 . 1 . . . A 12 ILE HA . 19548 1 137 . 1 1 12 12 ILE HB H 1 1.275 0.000 . 1 . . . A 12 ILE HB . 19548 1 138 . 1 1 12 12 ILE HG12 H 1 1.309 0.000 . 2 . . . A 12 ILE HG12 . 19548 1 139 . 1 1 12 12 ILE HG13 H 1 0.537 0.000 . 2 . . . A 12 ILE HG13 . 19548 1 140 . 1 1 12 12 ILE HG21 H 1 0.415 0.000 . 1 . . . A 12 ILE HG21 . 19548 1 141 . 1 1 12 12 ILE HG22 H 1 0.415 0.000 . 1 . . . A 12 ILE HG22 . 19548 1 142 . 1 1 12 12 ILE HG23 H 1 0.415 0.000 . 1 . . . A 12 ILE HG23 . 19548 1 143 . 1 1 12 12 ILE HD11 H 1 0.527 0.000 . 1 . . . A 12 ILE HD11 . 19548 1 144 . 1 1 12 12 ILE HD12 H 1 0.527 0.000 . 1 . . . A 12 ILE HD12 . 19548 1 145 . 1 1 12 12 ILE HD13 H 1 0.527 0.000 . 1 . . . A 12 ILE HD13 . 19548 1 146 . 1 1 12 12 ILE CA C 13 59.981 0.000 . 1 . . . A 12 ILE CA . 19548 1 147 . 1 1 12 12 ILE CB C 13 42.755 0.000 . 1 . . . A 12 ILE CB . 19548 1 148 . 1 1 12 12 ILE CG1 C 13 28.270 0.011 . 1 . . . A 12 ILE CG1 . 19548 1 149 . 1 1 12 12 ILE CG2 C 13 17.277 0.000 . 1 . . . A 12 ILE CG2 . 19548 1 150 . 1 1 12 12 ILE CD1 C 13 14.885 0.000 . 1 . . . A 12 ILE CD1 . 19548 1 151 . 1 1 12 12 ILE N N 15 124.303 0.000 . 1 . . . A 12 ILE N . 19548 1 152 . 1 1 13 13 ASN H H 1 9.395 0.000 . 1 . . . A 13 ASN H . 19548 1 153 . 1 1 13 13 ASN HA H 1 5.017 0.001 . 1 . . . A 13 ASN HA . 19548 1 154 . 1 1 13 13 ASN HB2 H 1 2.195 0.002 . 2 . . . A 13 ASN HB2 . 19548 1 155 . 1 1 13 13 ASN HB3 H 1 1.890 0.002 . 2 . . . A 13 ASN HB3 . 19548 1 156 . 1 1 13 13 ASN HD21 H 1 5.821 0.000 . 2 . . . A 13 ASN HD21 . 19548 1 157 . 1 1 13 13 ASN HD22 H 1 6.471 0.000 . 2 . . . A 13 ASN HD22 . 19548 1 158 . 1 1 13 13 ASN CA C 13 53.399 0.000 . 1 . . . A 13 ASN CA . 19548 1 159 . 1 1 13 13 ASN CB C 13 41.442 0.021 . 1 . . . A 13 ASN CB . 19548 1 160 . 1 1 13 13 ASN N N 15 126.189 0.000 . 1 . . . A 13 ASN N . 19548 1 161 . 1 1 13 13 ASN ND2 N 15 107.562 0.002 . 1 . . . A 13 ASN ND2 . 19548 1 162 . 1 1 14 14 ILE H H 1 8.455 0.000 . 1 . . . A 14 ILE H . 19548 1 163 . 1 1 14 14 ILE HA H 1 4.445 0.000 . 1 . . . A 14 ILE HA . 19548 1 164 . 1 1 14 14 ILE HB H 1 1.449 0.003 . 1 . . . A 14 ILE HB . 19548 1 165 . 1 1 14 14 ILE HG12 H 1 1.265 0.000 . 2 . . . A 14 ILE HG12 . 19548 1 166 . 1 1 14 14 ILE HG13 H 1 0.754 0.000 . 2 . . . A 14 ILE HG13 . 19548 1 167 . 1 1 14 14 ILE HG21 H 1 0.599 0.000 . 1 . . . A 14 ILE HG21 . 19548 1 168 . 1 1 14 14 ILE HG22 H 1 0.599 0.000 . 1 . . . A 14 ILE HG22 . 19548 1 169 . 1 1 14 14 ILE HG23 H 1 0.599 0.000 . 1 . . . A 14 ILE HG23 . 19548 1 170 . 1 1 14 14 ILE HD11 H 1 0.523 0.000 . 1 . . . A 14 ILE HD11 . 19548 1 171 . 1 1 14 14 ILE HD12 H 1 0.523 0.000 . 1 . . . A 14 ILE HD12 . 19548 1 172 . 1 1 14 14 ILE HD13 H 1 0.523 0.000 . 1 . . . A 14 ILE HD13 . 19548 1 173 . 1 1 14 14 ILE CA C 13 60.539 0.000 . 1 . . . A 14 ILE CA . 19548 1 174 . 1 1 14 14 ILE CB C 13 38.509 0.056 . 1 . . . A 14 ILE CB . 19548 1 175 . 1 1 14 14 ILE CG1 C 13 27.535 0.011 . 1 . . . A 14 ILE CG1 . 19548 1 176 . 1 1 14 14 ILE CG2 C 13 17.079 0.000 . 1 . . . A 14 ILE CG2 . 19548 1 177 . 1 1 14 14 ILE CD1 C 13 14.074 0.000 . 1 . . . A 14 ILE CD1 . 19548 1 178 . 1 1 14 14 ILE N N 15 123.998 0.000 . 1 . . . A 14 ILE N . 19548 1 179 . 1 1 15 15 GLY H H 1 9.039 0.016 . 1 . . . A 15 GLY H . 19548 1 180 . 1 1 15 15 GLY HA2 H 1 4.028 0.000 . 2 . . . A 15 GLY HA2 . 19548 1 181 . 1 1 15 15 GLY HA3 H 1 3.917 0.000 . 2 . . . A 15 GLY HA3 . 19548 1 182 . 1 1 15 15 GLY CA C 13 45.948 0.011 . 1 . . . A 15 GLY CA . 19548 1 183 . 1 1 15 15 GLY N N 15 115.223 0.000 . 1 . . . A 15 GLY N . 19548 1 184 . 1 1 16 16 ASP H H 1 8.714 0.000 . 1 . . . A 16 ASP H . 19548 1 185 . 1 1 16 16 ASP HA H 1 4.912 0.002 . 1 . . . A 16 ASP HA . 19548 1 186 . 1 1 16 16 ASP HB2 H 1 2.823 0.000 . 2 . . . A 16 ASP HB2 . 19548 1 187 . 1 1 16 16 ASP HB3 H 1 2.518 0.000 . 2 . . . A 16 ASP HB3 . 19548 1 188 . 1 1 16 16 ASP CA C 13 55.306 0.000 . 1 . . . A 16 ASP CA . 19548 1 189 . 1 1 16 16 ASP CB C 13 42.366 0.002 . 1 . . . A 16 ASP CB . 19548 1 190 . 1 1 16 16 ASP N N 15 120.438 0.000 . 1 . . . A 16 ASP N . 19548 1 191 . 1 1 17 17 ASP H H 1 8.158 0.000 . 1 . . . A 17 ASP H . 19548 1 192 . 1 1 17 17 ASP HA H 1 4.728 0.000 . 1 . . . A 17 ASP HA . 19548 1 193 . 1 1 17 17 ASP HB2 H 1 2.672 0.000 . 2 . . . A 17 ASP HB2 . 19548 1 194 . 1 1 17 17 ASP HB3 H 1 2.536 0.000 . 2 . . . A 17 ASP HB3 . 19548 1 195 . 1 1 17 17 ASP CA C 13 54.179 0.000 . 1 . . . A 17 ASP CA . 19548 1 196 . 1 1 17 17 ASP CB C 13 42.533 0.050 . 1 . . . A 17 ASP CB . 19548 1 197 . 1 1 17 17 ASP N N 15 115.581 0.000 . 1 . . . A 17 ASP N . 19548 1 198 . 1 1 18 18 ILE H H 1 7.180 0.002 . 1 . . . A 18 ILE H . 19548 1 199 . 1 1 18 18 ILE HA H 1 5.188 0.000 . 1 . . . A 18 ILE HA . 19548 1 200 . 1 1 18 18 ILE HB H 1 2.186 0.000 . 1 . . . A 18 ILE HB . 19548 1 201 . 1 1 18 18 ILE HG12 H 1 1.751 0.000 . 2 . . . A 18 ILE HG12 . 19548 1 202 . 1 1 18 18 ILE HG21 H 1 0.609 0.000 . 1 . . . A 18 ILE HG21 . 19548 1 203 . 1 1 18 18 ILE HG22 H 1 0.609 0.000 . 1 . . . A 18 ILE HG22 . 19548 1 204 . 1 1 18 18 ILE HG23 H 1 0.609 0.000 . 1 . . . A 18 ILE HG23 . 19548 1 205 . 1 1 18 18 ILE HD11 H 1 0.694 0.000 . 1 . . . A 18 ILE HD11 . 19548 1 206 . 1 1 18 18 ILE HD12 H 1 0.694 0.000 . 1 . . . A 18 ILE HD12 . 19548 1 207 . 1 1 18 18 ILE HD13 H 1 0.694 0.000 . 1 . . . A 18 ILE HD13 . 19548 1 208 . 1 1 18 18 ILE CA C 13 60.085 0.000 . 1 . . . A 18 ILE CA . 19548 1 209 . 1 1 18 18 ILE CB C 13 39.696 0.000 . 1 . . . A 18 ILE CB . 19548 1 210 . 1 1 18 18 ILE CG1 C 13 27.506 0.000 . 1 . . . A 18 ILE CG1 . 19548 1 211 . 1 1 18 18 ILE CG2 C 13 17.056 0.000 . 1 . . . A 18 ILE CG2 . 19548 1 212 . 1 1 18 18 ILE CD1 C 13 14.070 0.000 . 1 . . . A 18 ILE CD1 . 19548 1 213 . 1 1 18 18 ILE N N 15 118.645 0.000 . 1 . . . A 18 ILE N . 19548 1 214 . 1 1 19 19 THR H H 1 8.970 0.022 . 1 . . . A 19 THR H . 19548 1 215 . 1 1 19 19 THR HA H 1 5.117 0.000 . 1 . . . A 19 THR HA . 19548 1 216 . 1 1 19 19 THR HB H 1 3.811 0.000 . 1 . . . A 19 THR HB . 19548 1 217 . 1 1 19 19 THR HG21 H 1 0.992 0.000 . 1 . . . A 19 THR HG21 . 19548 1 218 . 1 1 19 19 THR HG22 H 1 0.992 0.000 . 1 . . . A 19 THR HG22 . 19548 1 219 . 1 1 19 19 THR HG23 H 1 0.992 0.000 . 1 . . . A 19 THR HG23 . 19548 1 220 . 1 1 19 19 THR CA C 13 61.009 0.000 . 1 . . . A 19 THR CA . 19548 1 221 . 1 1 19 19 THR CB C 13 71.661 0.000 . 1 . . . A 19 THR CB . 19548 1 222 . 1 1 19 19 THR CG2 C 13 21.586 0.000 . 1 . . . A 19 THR CG2 . 19548 1 223 . 1 1 19 19 THR N N 15 122.845 0.000 . 1 . . . A 19 THR N . 19548 1 224 . 1 1 20 20 ILE H H 1 8.954 0.000 . 1 . . . A 20 ILE H . 19548 1 225 . 1 1 20 20 ILE HA H 1 4.892 0.000 . 1 . . . A 20 ILE HA . 19548 1 226 . 1 1 20 20 ILE HB H 1 1.599 0.000 . 1 . . . A 20 ILE HB . 19548 1 227 . 1 1 20 20 ILE HG12 H 1 1.220 0.000 . 2 . . . A 20 ILE HG12 . 19548 1 228 . 1 1 20 20 ILE HG13 H 1 0.912 0.000 . 2 . . . A 20 ILE HG13 . 19548 1 229 . 1 1 20 20 ILE HG21 H 1 0.559 0.000 . 1 . . . A 20 ILE HG21 . 19548 1 230 . 1 1 20 20 ILE HG22 H 1 0.559 0.000 . 1 . . . A 20 ILE HG22 . 19548 1 231 . 1 1 20 20 ILE HG23 H 1 0.559 0.000 . 1 . . . A 20 ILE HG23 . 19548 1 232 . 1 1 20 20 ILE HD11 H 1 0.507 0.000 . 1 . . . A 20 ILE HD11 . 19548 1 233 . 1 1 20 20 ILE HD12 H 1 0.507 0.000 . 1 . . . A 20 ILE HD12 . 19548 1 234 . 1 1 20 20 ILE HD13 H 1 0.507 0.000 . 1 . . . A 20 ILE HD13 . 19548 1 235 . 1 1 20 20 ILE CA C 13 58.951 0.000 . 1 . . . A 20 ILE CA . 19548 1 236 . 1 1 20 20 ILE CB C 13 40.338 0.000 . 1 . . . A 20 ILE CB . 19548 1 237 . 1 1 20 20 ILE CG1 C 13 27.427 0.035 . 1 . . . A 20 ILE CG1 . 19548 1 238 . 1 1 20 20 ILE CG2 C 13 17.361 0.000 . 1 . . . A 20 ILE CG2 . 19548 1 239 . 1 1 20 20 ILE CD1 C 13 14.331 0.000 . 1 . . . A 20 ILE CD1 . 19548 1 240 . 1 1 20 20 ILE N N 15 123.857 0.000 . 1 . . . A 20 ILE N . 19548 1 241 . 1 1 21 21 THR H H 1 9.428 0.006 . 1 . . . A 21 THR H . 19548 1 242 . 1 1 21 21 THR HA H 1 4.840 0.000 . 1 . . . A 21 THR HA . 19548 1 243 . 1 1 21 21 THR HB H 1 3.376 0.000 . 1 . . . A 21 THR HB . 19548 1 244 . 1 1 21 21 THR HG21 H 1 0.860 0.000 . 1 . . . A 21 THR HG21 . 19548 1 245 . 1 1 21 21 THR HG22 H 1 0.860 0.000 . 1 . . . A 21 THR HG22 . 19548 1 246 . 1 1 21 21 THR HG23 H 1 0.860 0.000 . 1 . . . A 21 THR HG23 . 19548 1 247 . 1 1 21 21 THR CA C 13 61.503 0.000 . 1 . . . A 21 THR CA . 19548 1 248 . 1 1 21 21 THR CB C 13 71.965 0.000 . 1 . . . A 21 THR CB . 19548 1 249 . 1 1 21 21 THR CG2 C 13 21.184 0.000 . 1 . . . A 21 THR CG2 . 19548 1 250 . 1 1 21 21 THR N N 15 123.681 0.000 . 1 . . . A 21 THR N . 19548 1 251 . 1 1 22 22 ILE H H 1 8.131 0.005 . 1 . . . A 22 ILE H . 19548 1 252 . 1 1 22 22 ILE HA H 1 4.124 0.000 . 1 . . . A 22 ILE HA . 19548 1 253 . 1 1 22 22 ILE HB H 1 2.464 0.003 . 1 . . . A 22 ILE HB . 19548 1 254 . 1 1 22 22 ILE HG12 H 1 1.540 0.000 . 2 . . . A 22 ILE HG12 . 19548 1 255 . 1 1 22 22 ILE HG13 H 1 1.038 0.002 . 2 . . . A 22 ILE HG13 . 19548 1 256 . 1 1 22 22 ILE HG21 H 1 0.711 0.000 . 1 . . . A 22 ILE HG21 . 19548 1 257 . 1 1 22 22 ILE HG22 H 1 0.711 0.000 . 1 . . . A 22 ILE HG22 . 19548 1 258 . 1 1 22 22 ILE HG23 H 1 0.711 0.000 . 1 . . . A 22 ILE HG23 . 19548 1 259 . 1 1 22 22 ILE HD11 H 1 0.483 0.000 . 1 . . . A 22 ILE HD11 . 19548 1 260 . 1 1 22 22 ILE HD12 H 1 0.483 0.000 . 1 . . . A 22 ILE HD12 . 19548 1 261 . 1 1 22 22 ILE HD13 H 1 0.483 0.000 . 1 . . . A 22 ILE HD13 . 19548 1 262 . 1 1 22 22 ILE CA C 13 59.258 0.000 . 1 . . . A 22 ILE CA . 19548 1 263 . 1 1 22 22 ILE CB C 13 33.924 0.005 . 1 . . . A 22 ILE CB . 19548 1 264 . 1 1 22 22 ILE CG1 C 13 26.935 0.042 . 1 . . . A 22 ILE CG1 . 19548 1 265 . 1 1 22 22 ILE CG2 C 13 18.415 0.000 . 1 . . . A 22 ILE CG2 . 19548 1 266 . 1 1 22 22 ILE CD1 C 13 9.089 0.000 . 1 . . . A 22 ILE CD1 . 19548 1 267 . 1 1 22 22 ILE N N 15 125.758 0.000 . 1 . . . A 22 ILE N . 19548 1 268 . 1 1 23 23 LEU H H 1 8.893 0.000 . 1 . . . A 23 LEU H . 19548 1 269 . 1 1 23 23 LEU HA H 1 4.519 0.000 . 1 . . . A 23 LEU HA . 19548 1 270 . 1 1 23 23 LEU HB2 H 1 1.544 0.016 . 2 . . . A 23 LEU HB2 . 19548 1 271 . 1 1 23 23 LEU HB3 H 1 1.301 0.000 . 2 . . . A 23 LEU HB3 . 19548 1 272 . 1 1 23 23 LEU HG H 1 1.468 0.014 . 1 . . . A 23 LEU HG . 19548 1 273 . 1 1 23 23 LEU HD11 H 1 0.663 0.015 . 2 . . . A 23 LEU HD11 . 19548 1 274 . 1 1 23 23 LEU HD12 H 1 0.663 0.015 . 2 . . . A 23 LEU HD12 . 19548 1 275 . 1 1 23 23 LEU HD13 H 1 0.663 0.015 . 2 . . . A 23 LEU HD13 . 19548 1 276 . 1 1 23 23 LEU HD21 H 1 0.590 0.007 . 2 . . . A 23 LEU HD21 . 19548 1 277 . 1 1 23 23 LEU HD22 H 1 0.590 0.007 . 2 . . . A 23 LEU HD22 . 19548 1 278 . 1 1 23 23 LEU HD23 H 1 0.590 0.007 . 2 . . . A 23 LEU HD23 . 19548 1 279 . 1 1 23 23 LEU CA C 13 55.574 0.000 . 1 . . . A 23 LEU CA . 19548 1 280 . 1 1 23 23 LEU CB C 13 42.386 0.201 . 1 . . . A 23 LEU CB . 19548 1 281 . 1 1 23 23 LEU CG C 13 26.762 0.020 . 1 . . . A 23 LEU CG . 19548 1 282 . 1 1 23 23 LEU CD1 C 13 26.340 0.037 . 2 . . . A 23 LEU CD1 . 19548 1 283 . 1 1 23 23 LEU CD2 C 13 21.774 0.028 . 2 . . . A 23 LEU CD2 . 19548 1 284 . 1 1 23 23 LEU N N 15 129.382 0.000 . 1 . . . A 23 LEU N . 19548 1 285 . 1 1 24 24 GLY H H 1 7.559 0.000 . 1 . . . A 24 GLY H . 19548 1 286 . 1 1 24 24 GLY HA2 H 1 4.149 0.000 . 2 . . . A 24 GLY HA2 . 19548 1 287 . 1 1 24 24 GLY HA3 H 1 4.087 0.098 . 2 . . . A 24 GLY HA3 . 19548 1 288 . 1 1 24 24 GLY CA C 13 45.984 0.024 . 1 . . . A 24 GLY CA . 19548 1 289 . 1 1 24 24 GLY N N 15 104.715 0.000 . 1 . . . A 24 GLY N . 19548 1 290 . 1 1 25 25 VAL H H 1 8.431 0.000 . 1 . . . A 25 VAL H . 19548 1 291 . 1 1 25 25 VAL HA H 1 4.647 0.000 . 1 . . . A 25 VAL HA . 19548 1 292 . 1 1 25 25 VAL HB H 1 1.797 0.000 . 1 . . . A 25 VAL HB . 19548 1 293 . 1 1 25 25 VAL HG11 H 1 0.692 0.000 . 2 . . . A 25 VAL HG11 . 19548 1 294 . 1 1 25 25 VAL HG12 H 1 0.692 0.000 . 2 . . . A 25 VAL HG12 . 19548 1 295 . 1 1 25 25 VAL HG13 H 1 0.692 0.000 . 2 . . . A 25 VAL HG13 . 19548 1 296 . 1 1 25 25 VAL HG21 H 1 0.788 0.000 . 2 . . . A 25 VAL HG21 . 19548 1 297 . 1 1 25 25 VAL HG22 H 1 0.788 0.000 . 2 . . . A 25 VAL HG22 . 19548 1 298 . 1 1 25 25 VAL HG23 H 1 0.788 0.000 . 2 . . . A 25 VAL HG23 . 19548 1 299 . 1 1 25 25 VAL CA C 13 61.477 0.000 . 1 . . . A 25 VAL CA . 19548 1 300 . 1 1 25 25 VAL CB C 13 35.733 0.000 . 1 . . . A 25 VAL CB . 19548 1 301 . 1 1 25 25 VAL CG1 C 13 21.480 0.000 . 2 . . . A 25 VAL CG1 . 19548 1 302 . 1 1 25 25 VAL CG2 C 13 21.910 0.000 . 2 . . . A 25 VAL CG2 . 19548 1 303 . 1 1 25 25 VAL N N 15 120.337 0.000 . 1 . . . A 25 VAL N . 19548 1 304 . 1 1 26 26 SER H H 1 8.614 0.007 . 1 . . . A 26 SER H . 19548 1 305 . 1 1 26 26 SER HA H 1 4.658 0.000 . 1 . . . A 26 SER HA . 19548 1 306 . 1 1 26 26 SER HB2 H 1 3.697 0.016 . 2 . . . A 26 SER HB2 . 19548 1 307 . 1 1 26 26 SER HB3 H 1 3.650 0.000 . 2 . . . A 26 SER HB3 . 19548 1 308 . 1 1 26 26 SER CA C 13 56.395 0.000 . 1 . . . A 26 SER CA . 19548 1 309 . 1 1 26 26 SER CB C 13 63.731 0.006 . 1 . . . A 26 SER CB . 19548 1 310 . 1 1 26 26 SER N N 15 121.660 0.000 . 1 . . . A 26 SER N . 19548 1 311 . 1 1 27 27 GLY H H 1 8.916 0.000 . 1 . . . A 27 GLY H . 19548 1 312 . 1 1 27 27 GLY HA2 H 1 3.686 0.002 . 2 . . . A 27 GLY HA2 . 19548 1 313 . 1 1 27 27 GLY CA C 13 47.462 0.006 . 1 . . . A 27 GLY CA . 19548 1 314 . 1 1 27 27 GLY N N 15 118.321 0.000 . 1 . . . A 27 GLY N . 19548 1 315 . 1 1 28 28 GLN H H 1 8.814 0.001 . 1 . . . A 28 GLN H . 19548 1 316 . 1 1 28 28 GLN HA H 1 4.318 0.000 . 1 . . . A 28 GLN HA . 19548 1 317 . 1 1 28 28 GLN HB2 H 1 2.375 0.011 . 2 . . . A 28 GLN HB2 . 19548 1 318 . 1 1 28 28 GLN HB3 H 1 1.986 0.005 . 2 . . . A 28 GLN HB3 . 19548 1 319 . 1 1 28 28 GLN HG2 H 1 2.379 0.016 . 2 . . . A 28 GLN HG2 . 19548 1 320 . 1 1 28 28 GLN HG3 H 1 2.379 0.016 . 2 . . . A 28 GLN HG3 . 19548 1 321 . 1 1 28 28 GLN HE21 H 1 6.851 0.004 . 2 . . . A 28 GLN HE21 . 19548 1 322 . 1 1 28 28 GLN HE22 H 1 7.675 0.000 . 2 . . . A 28 GLN HE22 . 19548 1 323 . 1 1 28 28 GLN CA C 13 55.105 0.000 . 1 . . . A 28 GLN CA . 19548 1 324 . 1 1 28 28 GLN CB C 13 29.738 0.109 . 1 . . . A 28 GLN CB . 19548 1 325 . 1 1 28 28 GLN CG C 13 34.285 0.044 . 1 . . . A 28 GLN CG . 19548 1 326 . 1 1 28 28 GLN N N 15 124.491 0.047 . 1 . . . A 28 GLN N . 19548 1 327 . 1 1 28 28 GLN NE2 N 15 113.388 0.007 . 1 . . . A 28 GLN NE2 . 19548 1 328 . 1 1 29 29 GLN H H 1 8.310 0.009 . 1 . . . A 29 GLN H . 19548 1 329 . 1 1 29 29 GLN HA H 1 4.663 0.002 . 1 . . . A 29 GLN HA . 19548 1 330 . 1 1 29 29 GLN HB2 H 1 2.083 0.020 . 2 . . . A 29 GLN HB2 . 19548 1 331 . 1 1 29 29 GLN HB3 H 1 1.989 0.029 . 2 . . . A 29 GLN HB3 . 19548 1 332 . 1 1 29 29 GLN HG2 H 1 2.298 0.002 . 2 . . . A 29 GLN HG2 . 19548 1 333 . 1 1 29 29 GLN HG3 H 1 2.104 0.000 . 2 . . . A 29 GLN HG3 . 19548 1 334 . 1 1 29 29 GLN HE21 H 1 6.982 0.007 . 2 . . . A 29 GLN HE21 . 19548 1 335 . 1 1 29 29 GLN HE22 H 1 7.468 0.007 . 2 . . . A 29 GLN HE22 . 19548 1 336 . 1 1 29 29 GLN CA C 13 55.384 0.046 . 1 . . . A 29 GLN CA . 19548 1 337 . 1 1 29 29 GLN CB C 13 31.370 0.023 . 1 . . . A 29 GLN CB . 19548 1 338 . 1 1 29 29 GLN CG C 13 34.629 0.019 . 1 . . . A 29 GLN CG . 19548 1 339 . 1 1 29 29 GLN N N 15 117.410 0.071 . 1 . . . A 29 GLN N . 19548 1 340 . 1 1 29 29 GLN NE2 N 15 111.767 0.057 . 1 . . . A 29 GLN NE2 . 19548 1 341 . 1 1 30 30 VAL H H 1 9.146 0.039 . 1 . . . A 30 VAL H . 19548 1 342 . 1 1 30 30 VAL HA H 1 4.550 0.000 . 1 . . . A 30 VAL HA . 19548 1 343 . 1 1 30 30 VAL HB H 1 1.986 0.002 . 1 . . . A 30 VAL HB . 19548 1 344 . 1 1 30 30 VAL HG11 H 1 0.923 0.000 . 2 . . . A 30 VAL HG11 . 19548 1 345 . 1 1 30 30 VAL HG12 H 1 0.923 0.000 . 2 . . . A 30 VAL HG12 . 19548 1 346 . 1 1 30 30 VAL HG13 H 1 0.923 0.000 . 2 . . . A 30 VAL HG13 . 19548 1 347 . 1 1 30 30 VAL HG21 H 1 0.848 0.000 . 2 . . . A 30 VAL HG21 . 19548 1 348 . 1 1 30 30 VAL HG22 H 1 0.848 0.000 . 2 . . . A 30 VAL HG22 . 19548 1 349 . 1 1 30 30 VAL HG23 H 1 0.848 0.000 . 2 . . . A 30 VAL HG23 . 19548 1 350 . 1 1 30 30 VAL CA C 13 60.630 0.000 . 1 . . . A 30 VAL CA . 19548 1 351 . 1 1 30 30 VAL CB C 13 34.546 0.092 . 1 . . . A 30 VAL CB . 19548 1 352 . 1 1 30 30 VAL CG1 C 13 22.580 0.000 . 2 . . . A 30 VAL CG1 . 19548 1 353 . 1 1 30 30 VAL CG2 C 13 22.651 0.000 . 2 . . . A 30 VAL CG2 . 19548 1 354 . 1 1 30 30 VAL N N 15 123.844 0.000 . 1 . . . A 30 VAL N . 19548 1 355 . 1 1 31 31 ARG H H 1 8.742 0.008 . 1 . . . A 31 ARG H . 19548 1 356 . 1 1 31 31 ARG HA H 1 4.651 0.000 . 1 . . . A 31 ARG HA . 19548 1 357 . 1 1 31 31 ARG HB2 H 1 1.605 0.006 . 2 . . . A 31 ARG HB2 . 19548 1 358 . 1 1 31 31 ARG HB3 H 1 1.498 0.004 . 2 . . . A 31 ARG HB3 . 19548 1 359 . 1 1 31 31 ARG HG2 H 1 1.422 0.018 . 2 . . . A 31 ARG HG2 . 19548 1 360 . 1 1 31 31 ARG HG3 H 1 1.393 0.035 . 2 . . . A 31 ARG HG3 . 19548 1 361 . 1 1 31 31 ARG HD2 H 1 3.076 0.007 . 2 . . . A 31 ARG HD2 . 19548 1 362 . 1 1 31 31 ARG HD3 H 1 3.064 0.009 . 2 . . . A 31 ARG HD3 . 19548 1 363 . 1 1 31 31 ARG HE H 1 7.558 0.005 . 1 . . . A 31 ARG HE . 19548 1 364 . 1 1 31 31 ARG CA C 13 55.755 0.000 . 1 . . . A 31 ARG CA . 19548 1 365 . 1 1 31 31 ARG CB C 13 31.847 0.034 . 1 . . . A 31 ARG CB . 19548 1 366 . 1 1 31 31 ARG CG C 13 28.136 0.055 . 1 . . . A 31 ARG CG . 19548 1 367 . 1 1 31 31 ARG CD C 13 43.558 0.042 . 1 . . . A 31 ARG CD . 19548 1 368 . 1 1 31 31 ARG N N 15 128.326 0.000 . 1 . . . A 31 ARG N . 19548 1 369 . 1 1 31 31 ARG NE N 15 84.833 0.089 . 1 . . . A 31 ARG NE . 19548 1 370 . 1 1 32 32 ILE H H 1 9.018 0.011 . 1 . . . A 32 ILE H . 19548 1 371 . 1 1 32 32 ILE HA H 1 4.633 0.000 . 1 . . . A 32 ILE HA . 19548 1 372 . 1 1 32 32 ILE HB H 1 1.712 0.000 . 1 . . . A 32 ILE HB . 19548 1 373 . 1 1 32 32 ILE HG12 H 1 1.418 0.007 . 2 . . . A 32 ILE HG12 . 19548 1 374 . 1 1 32 32 ILE HG13 H 1 0.862 0.003 . 2 . . . A 32 ILE HG13 . 19548 1 375 . 1 1 32 32 ILE HG21 H 1 0.599 0.000 . 1 . . . A 32 ILE HG21 . 19548 1 376 . 1 1 32 32 ILE HG22 H 1 0.599 0.000 . 1 . . . A 32 ILE HG22 . 19548 1 377 . 1 1 32 32 ILE HG23 H 1 0.599 0.000 . 1 . . . A 32 ILE HG23 . 19548 1 378 . 1 1 32 32 ILE HD11 H 1 0.541 0.000 . 1 . . . A 32 ILE HD11 . 19548 1 379 . 1 1 32 32 ILE HD12 H 1 0.541 0.000 . 1 . . . A 32 ILE HD12 . 19548 1 380 . 1 1 32 32 ILE HD13 H 1 0.541 0.000 . 1 . . . A 32 ILE HD13 . 19548 1 381 . 1 1 32 32 ILE CA C 13 59.786 0.000 . 1 . . . A 32 ILE CA . 19548 1 382 . 1 1 32 32 ILE CB C 13 40.704 0.000 . 1 . . . A 32 ILE CB . 19548 1 383 . 1 1 32 32 ILE CG1 C 13 28.026 0.101 . 1 . . . A 32 ILE CG1 . 19548 1 384 . 1 1 32 32 ILE CG2 C 13 18.341 0.000 . 1 . . . A 32 ILE CG2 . 19548 1 385 . 1 1 32 32 ILE CD1 C 13 14.011 0.000 . 1 . . . A 32 ILE CD1 . 19548 1 386 . 1 1 32 32 ILE N N 15 127.673 0.000 . 1 . . . A 32 ILE N . 19548 1 387 . 1 1 33 33 GLY H H 1 9.193 0.000 . 1 . . . A 33 GLY H . 19548 1 388 . 1 1 33 33 GLY HA2 H 1 3.570 0.005 . 2 . . . A 33 GLY HA2 . 19548 1 389 . 1 1 33 33 GLY HA3 H 1 4.080 0.711 . 2 . . . A 33 GLY HA3 . 19548 1 390 . 1 1 33 33 GLY CA C 13 44.712 0.047 . 1 . . . A 33 GLY CA . 19548 1 391 . 1 1 33 33 GLY N N 15 112.593 0.000 . 1 . . . A 33 GLY N . 19548 1 392 . 1 1 34 34 ILE H H 1 9.635 0.006 . 1 . . . A 34 ILE H . 19548 1 393 . 1 1 34 34 ILE HA H 1 4.803 0.000 . 1 . . . A 34 ILE HA . 19548 1 394 . 1 1 34 34 ILE HB H 1 1.462 0.094 . 1 . . . A 34 ILE HB . 19548 1 395 . 1 1 34 34 ILE HG12 H 1 1.285 0.000 . 2 . . . A 34 ILE HG12 . 19548 1 396 . 1 1 34 34 ILE HG13 H 1 0.785 0.000 . 2 . . . A 34 ILE HG13 . 19548 1 397 . 1 1 34 34 ILE HG21 H 1 0.620 0.000 . 1 . . . A 34 ILE HG21 . 19548 1 398 . 1 1 34 34 ILE HG22 H 1 0.620 0.000 . 1 . . . A 34 ILE HG22 . 19548 1 399 . 1 1 34 34 ILE HG23 H 1 0.620 0.000 . 1 . . . A 34 ILE HG23 . 19548 1 400 . 1 1 34 34 ILE HD11 H 1 0.561 0.012 . 1 . . . A 34 ILE HD11 . 19548 1 401 . 1 1 34 34 ILE HD12 H 1 0.561 0.012 . 1 . . . A 34 ILE HD12 . 19548 1 402 . 1 1 34 34 ILE HD13 H 1 0.561 0.012 . 1 . . . A 34 ILE HD13 . 19548 1 403 . 1 1 34 34 ILE CA C 13 60.898 0.000 . 1 . . . A 34 ILE CA . 19548 1 404 . 1 1 34 34 ILE CB C 13 41.105 0.027 . 1 . . . A 34 ILE CB . 19548 1 405 . 1 1 34 34 ILE CG1 C 13 29.325 0.002 . 1 . . . A 34 ILE CG1 . 19548 1 406 . 1 1 34 34 ILE CG2 C 13 19.483 0.000 . 1 . . . A 34 ILE CG2 . 19548 1 407 . 1 1 34 34 ILE CD1 C 13 16.101 0.000 . 1 . . . A 34 ILE CD1 . 19548 1 408 . 1 1 34 34 ILE N N 15 125.160 0.050 . 1 . . . A 34 ILE N . 19548 1 409 . 1 1 35 35 ASN H H 1 9.012 0.051 . 1 . . . A 35 ASN H . 19548 1 410 . 1 1 35 35 ASN HA H 1 5.090 0.000 . 1 . . . A 35 ASN HA . 19548 1 411 . 1 1 35 35 ASN HB2 H 1 2.805 0.000 . 2 . . . A 35 ASN HB2 . 19548 1 412 . 1 1 35 35 ASN HB3 H 1 2.553 0.000 . 2 . . . A 35 ASN HB3 . 19548 1 413 . 1 1 35 35 ASN HD21 H 1 6.735 0.000 . 2 . . . A 35 ASN HD21 . 19548 1 414 . 1 1 35 35 ASN HD22 H 1 7.344 0.000 . 2 . . . A 35 ASN HD22 . 19548 1 415 . 1 1 35 35 ASN CA C 13 52.111 0.000 . 1 . . . A 35 ASN CA . 19548 1 416 . 1 1 35 35 ASN CB C 13 40.176 0.062 . 1 . . . A 35 ASN CB . 19548 1 417 . 1 1 35 35 ASN N N 15 129.265 0.000 . 1 . . . A 35 ASN N . 19548 1 418 . 1 1 35 35 ASN ND2 N 15 112.624 0.019 . 1 . . . A 35 ASN ND2 . 19548 1 419 . 1 1 36 36 ALA H H 1 8.239 0.003 . 1 . . . A 36 ALA H . 19548 1 420 . 1 1 36 36 ALA HA H 1 5.060 0.000 . 1 . . . A 36 ALA HA . 19548 1 421 . 1 1 36 36 ALA HB1 H 1 1.068 0.012 . 1 . . . A 36 ALA HB1 . 19548 1 422 . 1 1 36 36 ALA HB2 H 1 1.068 0.012 . 1 . . . A 36 ALA HB2 . 19548 1 423 . 1 1 36 36 ALA HB3 H 1 1.068 0.012 . 1 . . . A 36 ALA HB3 . 19548 1 424 . 1 1 36 36 ALA CA C 13 49.329 0.000 . 1 . . . A 36 ALA CA . 19548 1 425 . 1 1 36 36 ALA CB C 13 19.983 0.029 . 1 . . . A 36 ALA CB . 19548 1 426 . 1 1 36 36 ALA N N 15 125.567 0.029 . 1 . . . A 36 ALA N . 19548 1 427 . 1 1 37 37 PRO HA H 1 4.409 0.000 . 1 . . . A 37 PRO HA . 19548 1 428 . 1 1 37 37 PRO HB2 H 1 2.410 0.000 . 2 . . . A 37 PRO HB2 . 19548 1 429 . 1 1 37 37 PRO HG2 H 1 2.070 0.000 . 2 . . . A 37 PRO HG2 . 19548 1 430 . 1 1 37 37 PRO HG3 H 1 1.916 0.000 . 2 . . . A 37 PRO HG3 . 19548 1 431 . 1 1 37 37 PRO HD2 H 1 3.937 0.000 . 2 . . . A 37 PRO HD2 . 19548 1 432 . 1 1 37 37 PRO HD3 H 1 3.052 0.000 . 2 . . . A 37 PRO HD3 . 19548 1 433 . 1 1 37 37 PRO CA C 13 62.901 0.000 . 1 . . . A 37 PRO CA . 19548 1 434 . 1 1 37 37 PRO CB C 13 32.399 0.000 . 1 . . . A 37 PRO CB . 19548 1 435 . 1 1 37 37 PRO CG C 13 28.081 0.078 . 1 . . . A 37 PRO CG . 19548 1 436 . 1 1 37 37 PRO CD C 13 50.474 0.001 . 1 . . . A 37 PRO CD . 19548 1 437 . 1 1 38 38 LYS H H 1 8.559 0.000 . 1 . . . A 38 LYS H . 19548 1 438 . 1 1 38 38 LYS HA H 1 3.771 0.008 . 1 . . . A 38 LYS HA . 19548 1 439 . 1 1 38 38 LYS HB2 H 1 1.699 0.007 . 2 . . . A 38 LYS HB2 . 19548 1 440 . 1 1 38 38 LYS HG2 H 1 1.427 0.006 . 2 . . . A 38 LYS HG2 . 19548 1 441 . 1 1 38 38 LYS HG3 H 1 1.405 0.017 . 2 . . . A 38 LYS HG3 . 19548 1 442 . 1 1 38 38 LYS HD2 H 1 1.540 0.004 . 2 . . . A 38 LYS HD2 . 19548 1 443 . 1 1 38 38 LYS HD3 H 1 1.521 0.012 . 2 . . . A 38 LYS HD3 . 19548 1 444 . 1 1 38 38 LYS HE2 H 1 2.945 0.013 . 2 . . . A 38 LYS HE2 . 19548 1 445 . 1 1 38 38 LYS HE3 H 1 2.945 0.013 . 2 . . . A 38 LYS HE3 . 19548 1 446 . 1 1 38 38 LYS CA C 13 58.837 0.057 . 1 . . . A 38 LYS CA . 19548 1 447 . 1 1 38 38 LYS CB C 13 31.852 0.109 . 1 . . . A 38 LYS CB . 19548 1 448 . 1 1 38 38 LYS CG C 13 25.111 0.003 . 1 . . . A 38 LYS CG . 19548 1 449 . 1 1 38 38 LYS CD C 13 28.454 0.046 . 1 . . . A 38 LYS CD . 19548 1 450 . 1 1 38 38 LYS CE C 13 42.111 0.082 . 1 . . . A 38 LYS CE . 19548 1 451 . 1 1 38 38 LYS N N 15 121.055 0.000 . 1 . . . A 38 LYS N . 19548 1 452 . 1 1 39 39 ASP H H 1 8.139 0.005 . 1 . . . A 39 ASP H . 19548 1 453 . 1 1 39 39 ASP HA H 1 4.341 0.000 . 1 . . . A 39 ASP HA . 19548 1 454 . 1 1 39 39 ASP HB2 H 1 2.650 0.000 . 2 . . . A 39 ASP HB2 . 19548 1 455 . 1 1 39 39 ASP HB3 H 1 2.539 0.000 . 2 . . . A 39 ASP HB3 . 19548 1 456 . 1 1 39 39 ASP CA C 13 54.031 0.000 . 1 . . . A 39 ASP CA . 19548 1 457 . 1 1 39 39 ASP CB C 13 39.804 0.007 . 1 . . . A 39 ASP CB . 19548 1 458 . 1 1 39 39 ASP N N 15 113.847 0.086 . 1 . . . A 39 ASP N . 19548 1 459 . 1 1 40 40 VAL H H 1 8.009 0.000 . 1 . . . A 40 VAL H . 19548 1 460 . 1 1 40 40 VAL HA H 1 3.951 0.007 . 1 . . . A 40 VAL HA . 19548 1 461 . 1 1 40 40 VAL HB H 1 2.054 0.009 . 1 . . . A 40 VAL HB . 19548 1 462 . 1 1 40 40 VAL HG11 H 1 0.792 0.013 . 2 . . . A 40 VAL HG11 . 19548 1 463 . 1 1 40 40 VAL HG12 H 1 0.792 0.013 . 2 . . . A 40 VAL HG12 . 19548 1 464 . 1 1 40 40 VAL HG13 H 1 0.792 0.013 . 2 . . . A 40 VAL HG13 . 19548 1 465 . 1 1 40 40 VAL HG21 H 1 0.657 0.002 . 2 . . . A 40 VAL HG21 . 19548 1 466 . 1 1 40 40 VAL HG22 H 1 0.657 0.002 . 2 . . . A 40 VAL HG22 . 19548 1 467 . 1 1 40 40 VAL HG23 H 1 0.657 0.002 . 2 . . . A 40 VAL HG23 . 19548 1 468 . 1 1 40 40 VAL CA C 13 61.918 0.000 . 1 . . . A 40 VAL CA . 19548 1 469 . 1 1 40 40 VAL CB C 13 31.881 0.027 . 1 . . . A 40 VAL CB . 19548 1 470 . 1 1 40 40 VAL CG1 C 13 21.313 0.080 . 2 . . . A 40 VAL CG1 . 19548 1 471 . 1 1 40 40 VAL CG2 C 13 21.009 0.038 . 2 . . . A 40 VAL CG2 . 19548 1 472 . 1 1 40 40 VAL N N 15 122.630 0.055 . 1 . . . A 40 VAL N . 19548 1 473 . 1 1 41 41 ALA H H 1 8.876 0.000 . 1 . . . A 41 ALA H . 19548 1 474 . 1 1 41 41 ALA HA H 1 4.447 0.010 . 1 . . . A 41 ALA HA . 19548 1 475 . 1 1 41 41 ALA HB1 H 1 1.296 0.006 . 1 . . . A 41 ALA HB1 . 19548 1 476 . 1 1 41 41 ALA HB2 H 1 1.296 0.006 . 1 . . . A 41 ALA HB2 . 19548 1 477 . 1 1 41 41 ALA HB3 H 1 1.296 0.006 . 1 . . . A 41 ALA HB3 . 19548 1 478 . 1 1 41 41 ALA CA C 13 52.249 0.157 . 1 . . . A 41 ALA CA . 19548 1 479 . 1 1 41 41 ALA CB C 13 19.087 0.134 . 1 . . . A 41 ALA CB . 19548 1 480 . 1 1 41 41 ALA N N 15 133.597 0.000 . 1 . . . A 41 ALA N . 19548 1 481 . 1 1 42 42 VAL H H 1 7.805 0.013 . 1 . . . A 42 VAL H . 19548 1 482 . 1 1 42 42 VAL HA H 1 4.404 0.033 . 1 . . . A 42 VAL HA . 19548 1 483 . 1 1 42 42 VAL HB H 1 1.120 0.000 . 1 . . . A 42 VAL HB . 19548 1 484 . 1 1 42 42 VAL HG11 H 1 0.587 0.002 . 2 . . . A 42 VAL HG11 . 19548 1 485 . 1 1 42 42 VAL HG12 H 1 0.587 0.002 . 2 . . . A 42 VAL HG12 . 19548 1 486 . 1 1 42 42 VAL HG13 H 1 0.587 0.002 . 2 . . . A 42 VAL HG13 . 19548 1 487 . 1 1 42 42 VAL HG21 H 1 0.344 0.012 . 2 . . . A 42 VAL HG21 . 19548 1 488 . 1 1 42 42 VAL HG22 H 1 0.344 0.012 . 2 . . . A 42 VAL HG22 . 19548 1 489 . 1 1 42 42 VAL HG23 H 1 0.344 0.012 . 2 . . . A 42 VAL HG23 . 19548 1 490 . 1 1 42 42 VAL CA C 13 60.587 0.000 . 1 . . . A 42 VAL CA . 19548 1 491 . 1 1 42 42 VAL CB C 13 33.644 0.000 . 1 . . . A 42 VAL CB . 19548 1 492 . 1 1 42 42 VAL CG1 C 13 20.220 0.024 . 2 . . . A 42 VAL CG1 . 19548 1 493 . 1 1 42 42 VAL CG2 C 13 22.110 0.017 . 2 . . . A 42 VAL CG2 . 19548 1 494 . 1 1 42 42 VAL N N 15 125.047 0.033 . 1 . . . A 42 VAL N . 19548 1 495 . 1 1 43 43 HIS H H 1 8.657 0.002 . 1 . . . A 43 HIS H . 19548 1 496 . 1 1 43 43 HIS HA H 1 5.481 0.005 . 1 . . . A 43 HIS HA . 19548 1 497 . 1 1 43 43 HIS HB2 H 1 3.311 0.005 . 2 . . . A 43 HIS HB2 . 19548 1 498 . 1 1 43 43 HIS HB3 H 1 2.550 0.002 . 2 . . . A 43 HIS HB3 . 19548 1 499 . 1 1 43 43 HIS HD2 H 1 6.980 0.017 . 1 . . . A 43 HIS HD2 . 19548 1 500 . 1 1 43 43 HIS HE1 H 1 7.764 0.000 . 1 . . . A 43 HIS HE1 . 19548 1 501 . 1 1 43 43 HIS CA C 13 53.970 0.064 . 1 . . . A 43 HIS CA . 19548 1 502 . 1 1 43 43 HIS CB C 13 37.457 0.004 . 1 . . . A 43 HIS CB . 19548 1 503 . 1 1 43 43 HIS CD2 C 13 117.358 0.000 . 1 . . . A 43 HIS CD2 . 19548 1 504 . 1 1 43 43 HIS CE1 C 13 139.124 0.000 . 1 . . . A 43 HIS CE1 . 19548 1 505 . 1 1 43 43 HIS N N 15 118.998 0.028 . 1 . . . A 43 HIS N . 19548 1 506 . 1 1 44 44 ARG H H 1 8.949 0.000 . 1 . . . A 44 ARG H . 19548 1 507 . 1 1 44 44 ARG HA H 1 3.929 0.000 . 1 . . . A 44 ARG HA . 19548 1 508 . 1 1 44 44 ARG HD2 H 1 3.308 0.009 . 2 . . . A 44 ARG HD2 . 19548 1 509 . 1 1 44 44 ARG HD3 H 1 3.308 0.009 . 2 . . . A 44 ARG HD3 . 19548 1 510 . 1 1 44 44 ARG CA C 13 58.401 0.000 . 1 . . . A 44 ARG CA . 19548 1 511 . 1 1 44 44 ARG CD C 13 43.263 0.166 . 1 . . . A 44 ARG CD . 19548 1 512 . 1 1 44 44 ARG N N 15 122.532 0.000 . 1 . . . A 44 ARG N . 19548 1 513 . 1 1 45 45 GLU H H 1 7.878 0.013 . 1 . . . A 45 GLU H . 19548 1 514 . 1 1 45 45 GLU HA H 1 4.351 0.003 . 1 . . . A 45 GLU HA . 19548 1 515 . 1 1 45 45 GLU HB2 H 1 1.985 0.000 . 2 . . . A 45 GLU HB2 . 19548 1 516 . 1 1 45 45 GLU HB3 H 1 1.948 0.006 . 2 . . . A 45 GLU HB3 . 19548 1 517 . 1 1 45 45 GLU HG2 H 1 2.375 0.005 . 2 . . . A 45 GLU HG2 . 19548 1 518 . 1 1 45 45 GLU HG3 H 1 2.217 0.015 . 2 . . . A 45 GLU HG3 . 19548 1 519 . 1 1 45 45 GLU CA C 13 59.692 0.000 . 1 . . . A 45 GLU CA . 19548 1 520 . 1 1 45 45 GLU CB C 13 30.052 0.022 . 1 . . . A 45 GLU CB . 19548 1 521 . 1 1 45 45 GLU CG C 13 35.814 0.036 . 1 . . . A 45 GLU CG . 19548 1 522 . 1 1 45 45 GLU N N 15 126.110 0.000 . 1 . . . A 45 GLU N . 19548 1 523 . 1 1 46 46 GLU H H 1 10.784 0.010 . 1 . . . A 46 GLU H . 19548 1 524 . 1 1 46 46 GLU HA H 1 4.251 0.000 . 1 . . . A 46 GLU HA . 19548 1 525 . 1 1 46 46 GLU HB2 H 1 2.242 0.000 . 2 . . . A 46 GLU HB2 . 19548 1 526 . 1 1 46 46 GLU HB3 H 1 1.901 0.000 . 2 . . . A 46 GLU HB3 . 19548 1 527 . 1 1 46 46 GLU HG2 H 1 2.568 0.005 . 2 . . . A 46 GLU HG2 . 19548 1 528 . 1 1 46 46 GLU HG3 H 1 2.305 0.000 . 2 . . . A 46 GLU HG3 . 19548 1 529 . 1 1 46 46 GLU CA C 13 58.705 0.000 . 1 . . . A 46 GLU CA . 19548 1 530 . 1 1 46 46 GLU CB C 13 27.062 0.048 . 1 . . . A 46 GLU CB . 19548 1 531 . 1 1 46 46 GLU CG C 13 34.934 0.046 . 1 . . . A 46 GLU CG . 19548 1 532 . 1 1 46 46 GLU N N 15 118.207 0.000 . 1 . . . A 46 GLU N . 19548 1 533 . 1 1 47 47 ILE H H 1 7.229 0.011 . 1 . . . A 47 ILE H . 19548 1 534 . 1 1 47 47 ILE HA H 1 3.827 0.005 . 1 . . . A 47 ILE HA . 19548 1 535 . 1 1 47 47 ILE HB H 1 2.111 0.000 . 1 . . . A 47 ILE HB . 19548 1 536 . 1 1 47 47 ILE HG12 H 1 1.416 0.004 . 2 . . . A 47 ILE HG12 . 19548 1 537 . 1 1 47 47 ILE HG13 H 1 1.255 0.005 . 2 . . . A 47 ILE HG13 . 19548 1 538 . 1 1 47 47 ILE HG21 H 1 0.578 0.030 . 1 . . . A 47 ILE HG21 . 19548 1 539 . 1 1 47 47 ILE HG22 H 1 0.578 0.030 . 1 . . . A 47 ILE HG22 . 19548 1 540 . 1 1 47 47 ILE HG23 H 1 0.578 0.030 . 1 . . . A 47 ILE HG23 . 19548 1 541 . 1 1 47 47 ILE HD11 H 1 0.584 0.041 . 1 . . . A 47 ILE HD11 . 19548 1 542 . 1 1 47 47 ILE HD12 H 1 0.584 0.041 . 1 . . . A 47 ILE HD12 . 19548 1 543 . 1 1 47 47 ILE HD13 H 1 0.584 0.041 . 1 . . . A 47 ILE HD13 . 19548 1 544 . 1 1 47 47 ILE CA C 13 61.180 0.040 . 1 . . . A 47 ILE CA . 19548 1 545 . 1 1 47 47 ILE CB C 13 34.717 0.000 . 1 . . . A 47 ILE CB . 19548 1 546 . 1 1 47 47 ILE CG1 C 13 27.018 0.102 . 1 . . . A 47 ILE CG1 . 19548 1 547 . 1 1 47 47 ILE CG2 C 13 16.900 0.000 . 1 . . . A 47 ILE CG2 . 19548 1 548 . 1 1 47 47 ILE CD1 C 13 8.891 0.000 . 1 . . . A 47 ILE CD1 . 19548 1 549 . 1 1 47 47 ILE N N 15 122.316 0.123 . 1 . . . A 47 ILE N . 19548 1 550 . 1 1 48 48 TYR H H 1 8.124 0.005 . 1 . . . A 48 TYR H . 19548 1 551 . 1 1 48 48 TYR HA H 1 3.645 0.001 . 1 . . . A 48 TYR HA . 19548 1 552 . 1 1 48 48 TYR HB2 H 1 3.230 0.000 . 2 . . . A 48 TYR HB2 . 19548 1 553 . 1 1 48 48 TYR HB3 H 1 2.764 0.004 . 2 . . . A 48 TYR HB3 . 19548 1 554 . 1 1 48 48 TYR HD1 H 1 6.905 0.011 . 3 . . . A 48 TYR HD1 . 19548 1 555 . 1 1 48 48 TYR HD2 H 1 6.905 0.011 . 3 . . . A 48 TYR HD2 . 19548 1 556 . 1 1 48 48 TYR HE1 H 1 6.708 0.001 . 3 . . . A 48 TYR HE1 . 19548 1 557 . 1 1 48 48 TYR HE2 H 1 6.708 0.001 . 3 . . . A 48 TYR HE2 . 19548 1 558 . 1 1 48 48 TYR CA C 13 62.072 0.000 . 1 . . . A 48 TYR CA . 19548 1 559 . 1 1 48 48 TYR CB C 13 39.049 0.007 . 1 . . . A 48 TYR CB . 19548 1 560 . 1 1 48 48 TYR CD1 C 13 133.199 0.000 . 3 . . . A 48 TYR CD1 . 19548 1 561 . 1 1 48 48 TYR CE1 C 13 118.476 0.000 . 3 . . . A 48 TYR CE1 . 19548 1 562 . 1 1 48 48 TYR N N 15 122.269 0.046 . 1 . . . A 48 TYR N . 19548 1 563 . 1 1 49 49 GLN H H 1 8.604 0.004 . 1 . . . A 49 GLN H . 19548 1 564 . 1 1 49 49 GLN HA H 1 3.836 0.001 . 1 . . . A 49 GLN HA . 19548 1 565 . 1 1 49 49 GLN HB2 H 1 2.022 0.000 . 2 . . . A 49 GLN HB2 . 19548 1 566 . 1 1 49 49 GLN HB3 H 1 1.995 0.000 . 2 . . . A 49 GLN HB3 . 19548 1 567 . 1 1 49 49 GLN HG2 H 1 2.472 0.000 . 2 . . . A 49 GLN HG2 . 19548 1 568 . 1 1 49 49 GLN HG3 H 1 2.589 0.005 . 2 . . . A 49 GLN HG3 . 19548 1 569 . 1 1 49 49 GLN HE21 H 1 6.743 0.001 . 2 . . . A 49 GLN HE21 . 19548 1 570 . 1 1 49 49 GLN HE22 H 1 7.469 0.010 . 2 . . . A 49 GLN HE22 . 19548 1 571 . 1 1 49 49 GLN CA C 13 58.471 0.000 . 1 . . . A 49 GLN CA . 19548 1 572 . 1 1 49 49 GLN CB C 13 28.183 0.000 . 1 . . . A 49 GLN CB . 19548 1 573 . 1 1 49 49 GLN CG C 13 33.859 0.009 . 1 . . . A 49 GLN CG . 19548 1 574 . 1 1 49 49 GLN N N 15 115.409 0.016 . 1 . . . A 49 GLN N . 19548 1 575 . 1 1 49 49 GLN NE2 N 15 111.139 0.017 . 1 . . . A 49 GLN NE2 . 19548 1 576 . 1 1 50 50 ARG H H 1 7.165 0.002 . 1 . . . A 50 ARG H . 19548 1 577 . 1 1 50 50 ARG HA H 1 3.989 0.003 . 1 . . . A 50 ARG HA . 19548 1 578 . 1 1 50 50 ARG HB2 H 1 1.876 0.007 . 2 . . . A 50 ARG HB2 . 19548 1 579 . 1 1 50 50 ARG HB3 H 1 1.836 0.029 . 2 . . . A 50 ARG HB3 . 19548 1 580 . 1 1 50 50 ARG HG2 H 1 1.773 0.000 . 2 . . . A 50 ARG HG2 . 19548 1 581 . 1 1 50 50 ARG HG3 H 1 1.566 0.004 . 2 . . . A 50 ARG HG3 . 19548 1 582 . 1 1 50 50 ARG HD2 H 1 3.095 0.018 . 2 . . . A 50 ARG HD2 . 19548 1 583 . 1 1 50 50 ARG HD3 H 1 3.060 0.004 . 2 . . . A 50 ARG HD3 . 19548 1 584 . 1 1 50 50 ARG CA C 13 59.002 0.000 . 1 . . . A 50 ARG CA . 19548 1 585 . 1 1 50 50 ARG CB C 13 30.411 0.009 . 1 . . . A 50 ARG CB . 19548 1 586 . 1 1 50 50 ARG CG C 13 27.264 0.060 . 1 . . . A 50 ARG CG . 19548 1 587 . 1 1 50 50 ARG CD C 13 43.842 0.126 . 1 . . . A 50 ARG CD . 19548 1 588 . 1 1 50 50 ARG N N 15 120.065 0.000 . 1 . . . A 50 ARG N . 19548 1 589 . 1 1 51 51 ILE H H 1 7.884 0.001 . 1 . . . A 51 ILE H . 19548 1 590 . 1 1 51 51 ILE HA H 1 3.617 0.000 . 1 . . . A 51 ILE HA . 19548 1 591 . 1 1 51 51 ILE HB H 1 1.597 0.003 . 1 . . . A 51 ILE HB . 19548 1 592 . 1 1 51 51 ILE HG12 H 1 1.321 0.000 . 2 . . . A 51 ILE HG12 . 19548 1 593 . 1 1 51 51 ILE HG13 H 1 0.768 0.000 . 2 . . . A 51 ILE HG13 . 19548 1 594 . 1 1 51 51 ILE HG21 H 1 0.651 0.001 . 1 . . . A 51 ILE HG21 . 19548 1 595 . 1 1 51 51 ILE HG22 H 1 0.651 0.001 . 1 . . . A 51 ILE HG22 . 19548 1 596 . 1 1 51 51 ILE HG23 H 1 0.651 0.001 . 1 . . . A 51 ILE HG23 . 19548 1 597 . 1 1 51 51 ILE HD11 H 1 0.305 0.013 . 1 . . . A 51 ILE HD11 . 19548 1 598 . 1 1 51 51 ILE HD12 H 1 0.305 0.013 . 1 . . . A 51 ILE HD12 . 19548 1 599 . 1 1 51 51 ILE HD13 H 1 0.305 0.013 . 1 . . . A 51 ILE HD13 . 19548 1 600 . 1 1 51 51 ILE CA C 13 64.243 0.000 . 1 . . . A 51 ILE CA . 19548 1 601 . 1 1 51 51 ILE CB C 13 38.001 0.090 . 1 . . . A 51 ILE CB . 19548 1 602 . 1 1 51 51 ILE CG1 C 13 28.440 0.041 . 1 . . . A 51 ILE CG1 . 19548 1 603 . 1 1 51 51 ILE CG2 C 13 16.746 0.000 . 1 . . . A 51 ILE CG2 . 19548 1 604 . 1 1 51 51 ILE CD1 C 13 13.233 0.000 . 1 . . . A 51 ILE CD1 . 19548 1 605 . 1 1 51 51 ILE N N 15 120.716 0.021 . 1 . . . A 51 ILE N . 19548 1 606 . 1 1 52 52 GLN H H 1 7.905 0.000 . 1 . . . A 52 GLN H . 19548 1 607 . 1 1 52 52 GLN HA H 1 3.807 0.000 . 1 . . . A 52 GLN HA . 19548 1 608 . 1 1 52 52 GLN HB2 H 1 1.933 0.000 . 2 . . . A 52 GLN HB2 . 19548 1 609 . 1 1 52 52 GLN HB3 H 1 1.743 0.001 . 2 . . . A 52 GLN HB3 . 19548 1 610 . 1 1 52 52 GLN HG2 H 1 1.964 0.002 . 2 . . . A 52 GLN HG2 . 19548 1 611 . 1 1 52 52 GLN HG3 H 1 1.873 0.003 . 2 . . . A 52 GLN HG3 . 19548 1 612 . 1 1 52 52 GLN HE21 H 1 6.447 0.002 . 2 . . . A 52 GLN HE21 . 19548 1 613 . 1 1 52 52 GLN HE22 H 1 6.726 0.009 . 2 . . . A 52 GLN HE22 . 19548 1 614 . 1 1 52 52 GLN CA C 13 57.372 0.000 . 1 . . . A 52 GLN CA . 19548 1 615 . 1 1 52 52 GLN CB C 13 28.185 0.009 . 1 . . . A 52 GLN CB . 19548 1 616 . 1 1 52 52 GLN CG C 13 33.317 0.010 . 1 . . . A 52 GLN CG . 19548 1 617 . 1 1 52 52 GLN N N 15 118.921 0.002 . 1 . . . A 52 GLN N . 19548 1 618 . 1 1 52 52 GLN NE2 N 15 112.675 0.038 . 1 . . . A 52 GLN NE2 . 19548 1 619 . 1 1 53 53 ALA H H 1 7.601 0.000 . 1 . . . A 53 ALA H . 19548 1 620 . 1 1 53 53 ALA HA H 1 4.169 0.000 . 1 . . . A 53 ALA HA . 19548 1 621 . 1 1 53 53 ALA HB1 H 1 1.387 0.000 . 1 . . . A 53 ALA HB1 . 19548 1 622 . 1 1 53 53 ALA HB2 H 1 1.387 0.000 . 1 . . . A 53 ALA HB2 . 19548 1 623 . 1 1 53 53 ALA HB3 H 1 1.387 0.000 . 1 . . . A 53 ALA HB3 . 19548 1 624 . 1 1 53 53 ALA CA C 13 53.093 0.000 . 1 . . . A 53 ALA CA . 19548 1 625 . 1 1 53 53 ALA CB C 13 18.574 0.000 . 1 . . . A 53 ALA CB . 19548 1 626 . 1 1 53 53 ALA N N 15 120.638 0.000 . 1 . . . A 53 ALA N . 19548 1 627 . 1 1 54 54 GLY H H 1 7.720 0.000 . 1 . . . A 54 GLY H . 19548 1 628 . 1 1 54 54 GLY HA2 H 1 3.890 0.000 . 2 . . . A 54 GLY HA2 . 19548 1 629 . 1 1 54 54 GLY HA3 H 1 3.859 0.000 . 2 . . . A 54 GLY HA3 . 19548 1 630 . 1 1 54 54 GLY CA C 13 45.517 0.003 . 1 . . . A 54 GLY CA . 19548 1 631 . 1 1 54 54 GLY N N 15 105.799 0.000 . 1 . . . A 54 GLY N . 19548 1 632 . 1 1 55 55 LEU H H 1 7.687 0.000 . 1 . . . A 55 LEU H . 19548 1 633 . 1 1 55 55 LEU HA H 1 4.322 0.000 . 1 . . . A 55 LEU HA . 19548 1 634 . 1 1 55 55 LEU HB2 H 1 1.608 0.000 . 2 . . . A 55 LEU HB2 . 19548 1 635 . 1 1 55 55 LEU HB3 H 1 1.516 0.000 . 2 . . . A 55 LEU HB3 . 19548 1 636 . 1 1 55 55 LEU HG H 1 1.621 0.000 . 1 . . . A 55 LEU HG . 19548 1 637 . 1 1 55 55 LEU HD11 H 1 0.822 0.000 . 2 . . . A 55 LEU HD11 . 19548 1 638 . 1 1 55 55 LEU HD12 H 1 0.822 0.000 . 2 . . . A 55 LEU HD12 . 19548 1 639 . 1 1 55 55 LEU HD13 H 1 0.822 0.000 . 2 . . . A 55 LEU HD13 . 19548 1 640 . 1 1 55 55 LEU HD21 H 1 0.778 0.000 . 2 . . . A 55 LEU HD21 . 19548 1 641 . 1 1 55 55 LEU HD22 H 1 0.778 0.000 . 2 . . . A 55 LEU HD22 . 19548 1 642 . 1 1 55 55 LEU HD23 H 1 0.778 0.000 . 2 . . . A 55 LEU HD23 . 19548 1 643 . 1 1 55 55 LEU CA C 13 55.256 0.000 . 1 . . . A 55 LEU CA . 19548 1 644 . 1 1 55 55 LEU CB C 13 42.263 0.008 . 1 . . . A 55 LEU CB . 19548 1 645 . 1 1 55 55 LEU CG C 13 26.783 0.000 . 1 . . . A 55 LEU CG . 19548 1 646 . 1 1 55 55 LEU CD1 C 13 25.082 0.000 . 2 . . . A 55 LEU CD1 . 19548 1 647 . 1 1 55 55 LEU CD2 C 13 22.917 0.000 . 2 . . . A 55 LEU CD2 . 19548 1 648 . 1 1 55 55 LEU N N 15 120.711 0.000 . 1 . . . A 55 LEU N . 19548 1 649 . 1 1 56 56 THR H H 1 7.746 0.000 . 1 . . . A 56 THR H . 19548 1 650 . 1 1 56 56 THR HA H 1 4.245 0.000 . 1 . . . A 56 THR HA . 19548 1 651 . 1 1 56 56 THR HB H 1 4.108 0.000 . 1 . . . A 56 THR HB . 19548 1 652 . 1 1 56 56 THR HG21 H 1 1.088 0.045 . 1 . . . A 56 THR HG21 . 19548 1 653 . 1 1 56 56 THR HG22 H 1 1.088 0.045 . 1 . . . A 56 THR HG22 . 19548 1 654 . 1 1 56 56 THR HG23 H 1 1.088 0.045 . 1 . . . A 56 THR HG23 . 19548 1 655 . 1 1 56 56 THR CA C 13 61.383 0.000 . 1 . . . A 56 THR CA . 19548 1 656 . 1 1 56 56 THR CB C 13 69.836 0.000 . 1 . . . A 56 THR CB . 19548 1 657 . 1 1 56 56 THR CG2 C 13 21.413 0.000 . 1 . . . A 56 THR CG2 . 19548 1 658 . 1 1 56 56 THR N N 15 113.068 0.000 . 1 . . . A 56 THR N . 19548 1 659 . 1 1 57 57 ALA H H 1 8.065 0.000 . 1 . . . A 57 ALA H . 19548 1 660 . 1 1 57 57 ALA HA H 1 4.491 0.000 . 1 . . . A 57 ALA HA . 19548 1 661 . 1 1 57 57 ALA HB1 H 1 1.296 0.000 . 1 . . . A 57 ALA HB1 . 19548 1 662 . 1 1 57 57 ALA HB2 H 1 1.296 0.000 . 1 . . . A 57 ALA HB2 . 19548 1 663 . 1 1 57 57 ALA HB3 H 1 1.296 0.000 . 1 . . . A 57 ALA HB3 . 19548 1 664 . 1 1 57 57 ALA CA C 13 50.540 0.000 . 1 . . . A 57 ALA CA . 19548 1 665 . 1 1 57 57 ALA CB C 13 18.338 0.000 . 1 . . . A 57 ALA CB . 19548 1 666 . 1 1 57 57 ALA N N 15 127.221 0.000 . 1 . . . A 57 ALA N . 19548 1 667 . 1 1 58 58 PRO HA H 1 4.315 0.000 . 1 . . . A 58 PRO HA . 19548 1 668 . 1 1 58 58 PRO HB2 H 1 2.205 0.000 . 2 . . . A 58 PRO HB2 . 19548 1 669 . 1 1 58 58 PRO HB3 H 1 1.850 0.000 . 2 . . . A 58 PRO HB3 . 19548 1 670 . 1 1 58 58 PRO HG2 H 1 1.923 0.000 . 2 . . . A 58 PRO HG2 . 19548 1 671 . 1 1 58 58 PRO HG3 H 1 1.923 0.000 . 2 . . . A 58 PRO HG3 . 19548 1 672 . 1 1 58 58 PRO HD2 H 1 3.675 0.000 . 2 . . . A 58 PRO HD2 . 19548 1 673 . 1 1 58 58 PRO HD3 H 1 3.581 0.000 . 2 . . . A 58 PRO HD3 . 19548 1 674 . 1 1 58 58 PRO CA C 13 63.349 0.000 . 1 . . . A 58 PRO CA . 19548 1 675 . 1 1 58 58 PRO CB C 13 31.930 0.004 . 1 . . . A 58 PRO CB . 19548 1 676 . 1 1 58 58 PRO CG C 13 27.272 0.000 . 1 . . . A 58 PRO CG . 19548 1 677 . 1 1 58 58 PRO CD C 13 50.406 0.007 . 1 . . . A 58 PRO CD . 19548 1 678 . 1 1 59 59 ASP H H 1 8.240 0.000 . 1 . . . A 59 ASP H . 19548 1 679 . 1 1 59 59 ASP HA H 1 4.479 0.000 . 1 . . . A 59 ASP HA . 19548 1 680 . 1 1 59 59 ASP HB2 H 1 2.608 0.000 . 2 . . . A 59 ASP HB2 . 19548 1 681 . 1 1 59 59 ASP HB3 H 1 2.583 0.000 . 2 . . . A 59 ASP HB3 . 19548 1 682 . 1 1 59 59 ASP CA C 13 54.116 0.000 . 1 . . . A 59 ASP CA . 19548 1 683 . 1 1 59 59 ASP CB C 13 41.044 0.000 . 1 . . . A 59 ASP CB . 19548 1 684 . 1 1 59 59 ASP N N 15 119.199 0.000 . 1 . . . A 59 ASP N . 19548 1 685 . 1 1 60 60 LYS H H 1 8.047 0.000 . 1 . . . . 60 LYS H . 19548 1 686 . 1 1 60 60 LYS HA H 1 4.230 0.000 . 1 . . . . 60 LYS HA . 19548 1 687 . 1 1 60 60 LYS HB2 H 1 1.815 0.000 . 2 . . . . 60 LYS HB2 . 19548 1 688 . 1 1 60 60 LYS HB3 H 1 1.693 0.000 . 2 . . . . 60 LYS HB3 . 19548 1 689 . 1 1 60 60 LYS HG2 H 1 1.367 0.000 . 2 . . . . 60 LYS HG2 . 19548 1 690 . 1 1 60 60 LYS HG3 H 1 1.316 0.000 . 2 . . . . 60 LYS HG3 . 19548 1 691 . 1 1 60 60 LYS HD2 H 1 1.613 0.000 . 2 . . . . 60 LYS QD . 19548 1 692 . 1 1 60 60 LYS HD3 H 1 1.613 0.000 . 2 . . . . 60 LYS QD . 19548 1 693 . 1 1 60 60 LYS HE2 H 1 2.939 0.000 . 2 . . . . 60 LYS QE . 19548 1 694 . 1 1 60 60 LYS HE3 H 1 2.939 0.000 . 2 . . . . 60 LYS QE . 19548 1 695 . 1 1 60 60 LYS CA C 13 56.069 0.000 . 1 . . . . 60 LYS CA . 19548 1 696 . 1 1 60 60 LYS CB C 13 32.657 0.017 . 1 . . . . 60 LYS CB . 19548 1 697 . 1 1 60 60 LYS CG C 13 24.632 0.011 . 1 . . . . 60 LYS CG . 19548 1 698 . 1 1 60 60 LYS CD C 13 28.791 0.000 . 1 . . . . 60 LYS CD . 19548 1 699 . 1 1 60 60 LYS CE C 13 41.898 0.000 . 1 . . . . 60 LYS CE . 19548 1 700 . 1 1 60 60 LYS N N 15 121.519 0.000 . 1 . . . . 60 LYS N . 19548 1 701 . 1 1 61 61 ARG H H 1 8.165 0.000 . 1 . . . . 61 ARG H . 19548 1 702 . 1 1 61 61 ARG HA H 1 4.245 0.016 . 1 . . . . 61 ARG HA . 19548 1 703 . 1 1 61 61 ARG HB2 H 1 1.792 0.005 . 2 . . . . 61 ARG HB2 . 19548 1 704 . 1 1 61 61 ARG HB3 H 1 1.728 0.000 . 2 . . . . 61 ARG HB3 . 19548 1 705 . 1 1 61 61 ARG HG2 H 1 1.575 0.000 . 2 . . . . 61 ARG QG . 19548 1 706 . 1 1 61 61 ARG HG3 H 1 1.575 0.000 . 2 . . . . 61 ARG QG . 19548 1 707 . 1 1 61 61 ARG HD2 H 1 3.130 0.003 . 2 . . . . 61 ARG QD . 19548 1 708 . 1 1 61 61 ARG HD3 H 1 3.130 0.003 . 2 . . . . 61 ARG QD . 19548 1 709 . 1 1 61 61 ARG CA C 13 56.056 0.000 . 1 . . . . 61 ARG CA . 19548 1 710 . 1 1 61 61 ARG CB C 13 30.733 0.004 . 1 . . . . 61 ARG CB . 19548 1 711 . 1 1 61 61 ARG CG C 13 27.045 0.000 . 1 . . . . 61 ARG CG . 19548 1 712 . 1 1 61 61 ARG CD C 13 43.486 0.169 . 1 . . . . 61 ARG CD . 19548 1 713 . 1 1 61 61 ARG N N 15 121.771 0.000 . 1 . . . . 61 ARG N . 19548 1 714 . 1 1 62 62 GLU H H 1 8.319 0.000 . 1 . . . . 62 GLU H . 19548 1 715 . 1 1 62 62 GLU HA H 1 4.288 0.000 . 1 . . . . 62 GLU HA . 19548 1 716 . 1 1 62 62 GLU HB2 H 1 1.986 0.000 . 2 . . . . 62 GLU HB2 . 19548 1 717 . 1 1 62 62 GLU HB3 H 1 1.862 0.000 . 2 . . . . 62 GLU HB3 . 19548 1 718 . 1 1 62 62 GLU HG2 H 1 2.196 0.000 . 2 . . . . 62 GLU HG2 . 19548 1 719 . 1 1 62 62 GLU HG3 H 1 2.159 0.000 . 2 . . . . 62 GLU HG3 . 19548 1 720 . 1 1 62 62 GLU CA C 13 56.238 0.000 . 1 . . . . 62 GLU CA . 19548 1 721 . 1 1 62 62 GLU CB C 13 30.401 0.006 . 1 . . . . 62 GLU CB . 19548 1 722 . 1 1 62 62 GLU CG C 13 36.222 0.012 . 1 . . . . 62 GLU CG . 19548 1 723 . 1 1 62 62 GLU N N 15 121.695 0.000 . 1 . . . . 62 GLU N . 19548 1 724 . 1 1 63 63 THR H H 1 8.121 0.000 . 1 . . . . 63 THR H . 19548 1 725 . 1 1 63 63 THR HA H 1 4.523 0.000 . 1 . . . . 63 THR HA . 19548 1 726 . 1 1 63 63 THR HB H 1 4.063 0.000 . 1 . . . . 63 THR HB . 19548 1 727 . 1 1 63 63 THR HG21 H 1 1.114 0.000 . 1 . . . . 63 THR QG2 . 19548 1 728 . 1 1 63 63 THR HG22 H 1 1.114 0.000 . 1 . . . . 63 THR QG2 . 19548 1 729 . 1 1 63 63 THR HG23 H 1 1.114 0.000 . 1 . . . . 63 THR QG2 . 19548 1 730 . 1 1 63 63 THR CA C 13 59.521 0.000 . 1 . . . . 63 THR CA . 19548 1 731 . 1 1 63 63 THR CB C 13 69.604 0.000 . 1 . . . . 63 THR CB . 19548 1 732 . 1 1 63 63 THR CG2 C 13 21.509 0.000 . 1 . . . . 63 THR CG2 . 19548 1 733 . 1 1 63 63 THR N N 15 117.429 0.000 . 1 . . . . 63 THR N . 19548 1 734 . 1 1 64 64 PRO HA H 1 4.315 0.000 . 1 . . . . 64 PRO HA . 19548 1 735 . 1 1 64 64 PRO HB2 H 1 2.154 0.000 . 2 . . . . 64 PRO HB2 . 19548 1 736 . 1 1 64 64 PRO HB3 H 1 1.669 0.000 . 2 . . . . 64 PRO HB3 . 19548 1 737 . 1 1 64 64 PRO HG2 H 1 1.863 0.000 . 2 . . . . 64 PRO QG . 19548 1 738 . 1 1 64 64 PRO HG3 H 1 1.863 0.000 . 2 . . . . 64 PRO QG . 19548 1 739 . 1 1 64 64 PRO HD2 H 1 3.582 0.000 . 2 . . . . 64 PRO HD2 . 19548 1 740 . 1 1 64 64 PRO HD3 H 1 3.733 0.000 . 2 . . . . 64 PRO HD3 . 19548 1 741 . 1 1 64 64 PRO CA C 13 63.349 0.000 . 1 . . . . 64 PRO CA . 19548 1 742 . 1 1 64 64 PRO CB C 13 31.944 0.012 . 1 . . . . 64 PRO CB . 19548 1 743 . 1 1 64 64 PRO CG C 13 27.274 0.000 . 1 . . . . 64 PRO CG . 19548 1 744 . 1 1 64 64 PRO CD C 13 50.967 0.003 . 1 . . . . 64 PRO CD . 19548 1 745 . 1 1 65 65 HIS HA H 1 4.341 0.000 . 1 . . . . 65 HIS HA . 19548 1 746 . 1 1 65 65 HIS HB2 H 1 3.088 0.000 . 2 . . . . 65 HIS HB2 . 19548 1 747 . 1 1 65 65 HIS HB3 H 1 2.942 0.000 . 2 . . . . 65 HIS HB3 . 19548 1 748 . 1 1 65 65 HIS CA C 13 57.503 0.000 . 1 . . . . 65 HIS CA . 19548 1 749 . 1 1 65 65 HIS CB C 13 30.994 0.065 . 1 . . . . 65 HIS CB . 19548 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 19548 _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' . . . 19548 2 4 '2D 1H-1H NOESY' . . . 19548 2 11 '2D 1H-1H TOCSY' . . . 19548 2 12 '2D 1H-15N HSQC' . . . 19548 2 13 '2D 1H-15N HSQC' . . . 19548 2 14 '2D 1H-13C HSQC' . . . 19548 2 15 '2D 1H-13C HSQC' . . . 19548 2 16 '3D 1H-13C NOESY' . . . 19548 2 17 '3D 1H-13C NOESY' . . . 19548 2 20 '3D HCCH-TOCSY' . . . 19548 2 21 '3D HCCH-TOCSY' . . . 19548 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 12.636 0.000 . 1 . . . B 55 G H1 . 19548 2 2 . 2 2 1 1 G H1' H 1 5.791 0.006 . 1 . . . B 55 G H1' . 19548 2 3 . 2 2 1 1 G H2' H 1 4.873 0.003 . 1 . . . B 55 G H2' . 19548 2 4 . 2 2 1 1 G H3' H 1 4.663 0.001 . 1 . . . B 55 G H3' . 19548 2 5 . 2 2 1 1 G H4' H 1 4.528 0.000 . 1 . . . B 55 G H4' . 19548 2 6 . 2 2 1 1 G H5' H 1 4.375 0.000 . 2 . . . B 55 G H5' . 19548 2 7 . 2 2 1 1 G H5'' H 1 4.237 0.000 . 2 . . . B 55 G H5'' . 19548 2 8 . 2 2 1 1 G H8 H 1 8.091 0.008 . 1 . . . B 55 G H8 . 19548 2 9 . 2 2 1 1 G C1' C 13 92.044 0.000 . 1 . . . B 55 G C1' . 19548 2 10 . 2 2 1 1 G C2' C 13 75.285 0.006 . 1 . . . B 55 G C2' . 19548 2 11 . 2 2 1 1 G C3' C 13 74.837 0.000 . 1 . . . B 55 G C3' . 19548 2 12 . 2 2 1 1 G C4' C 13 83.360 0.000 . 1 . . . B 55 G C4' . 19548 2 13 . 2 2 1 1 G C5' C 13 67.144 0.008 . 1 . . . B 55 G C5' . 19548 2 14 . 2 2 1 1 G C8 C 13 139.200 0.000 . 1 . . . B 55 G C8 . 19548 2 15 . 2 2 1 1 G N1 N 15 147.626 0.000 . 1 . . . B 55 G N1 . 19548 2 16 . 2 2 2 2 G H1 H 1 12.766 0.006 . 1 . . . B 56 G H1 . 19548 2 17 . 2 2 2 2 G H1' H 1 5.906 0.004 . 1 . . . B 56 G H1' . 19548 2 18 . 2 2 2 2 G H2' H 1 4.716 0.002 . 1 . . . B 56 G H2' . 19548 2 19 . 2 2 2 2 G H3' H 1 4.535 0.000 . 1 . . . B 56 G H3' . 19548 2 20 . 2 2 2 2 G H4' H 1 4.516 0.001 . 1 . . . B 56 G H4' . 19548 2 21 . 2 2 2 2 G H5' H 1 4.477 0.000 . 2 . . . B 56 G H5' . 19548 2 22 . 2 2 2 2 G H5'' H 1 4.223 0.001 . 2 . . . B 56 G H5'' . 19548 2 23 . 2 2 2 2 G H8 H 1 7.526 0.004 . 1 . . . B 56 G H8 . 19548 2 24 . 2 2 2 2 G C1' C 13 92.907 0.009 . 1 . . . B 56 G C1' . 19548 2 25 . 2 2 2 2 G C2' C 13 75.720 0.014 . 1 . . . B 56 G C2' . 19548 2 26 . 2 2 2 2 G C3' C 13 73.288 0.059 . 1 . . . B 56 G C3' . 19548 2 27 . 2 2 2 2 G C4' C 13 82.433 0.033 . 1 . . . B 56 G C4' . 19548 2 28 . 2 2 2 2 G C5' C 13 66.195 0.012 . 1 . . . B 56 G C5' . 19548 2 29 . 2 2 2 2 G C8 C 13 136.978 0.000 . 1 . . . B 56 G C8 . 19548 2 30 . 2 2 2 2 G N1 N 15 147.587 0.000 . 1 . . . B 56 G N1 . 19548 2 31 . 2 2 3 3 G H1 H 1 13.183 0.001 . 1 . . . B 57 G H1 . 19548 2 32 . 2 2 3 3 G H1' H 1 5.753 0.008 . 1 . . . B 57 G H1' . 19548 2 33 . 2 2 3 3 G H2' H 1 4.502 0.010 . 1 . . . B 57 G H2' . 19548 2 34 . 2 2 3 3 G H3' H 1 4.392 0.000 . 1 . . . B 57 G H3' . 19548 2 35 . 2 2 3 3 G H4' H 1 4.491 0.000 . 1 . . . B 57 G H4' . 19548 2 36 . 2 2 3 3 G H5' H 1 4.460 0.002 . 2 . . . B 57 G H5' . 19548 2 37 . 2 2 3 3 G H5'' H 1 4.068 0.001 . 2 . . . B 57 G H5'' . 19548 2 38 . 2 2 3 3 G H8 H 1 7.150 0.006 . 1 . . . B 57 G H8 . 19548 2 39 . 2 2 3 3 G C1' C 13 93.374 0.005 . 1 . . . B 57 G C1' . 19548 2 40 . 2 2 3 3 G C2' C 13 75.431 0.012 . 1 . . . B 57 G C2' . 19548 2 41 . 2 2 3 3 G C3' C 13 73.243 0.000 . 1 . . . B 57 G C3' . 19548 2 42 . 2 2 3 3 G C4' C 13 82.404 0.033 . 1 . . . B 57 G C4' . 19548 2 43 . 2 2 3 3 G C5' C 13 65.913 0.057 . 1 . . . B 57 G C5' . 19548 2 44 . 2 2 3 3 G C8 C 13 136.247 0.017 . 1 . . . B 57 G C8 . 19548 2 45 . 2 2 3 3 G N1 N 15 148.489 0.000 . 1 . . . B 57 G N1 . 19548 2 46 . 2 2 4 4 U H1' H 1 5.531 0.009 . 1 . . . B 58 U H1' . 19548 2 47 . 2 2 4 4 U H2' H 1 4.501 0.007 . 1 . . . B 58 U H2' . 19548 2 48 . 2 2 4 4 U H3 H 1 14.178 0.003 . 1 . . . B 58 U H3 . 19548 2 49 . 2 2 4 4 U H3' H 1 4.450 0.009 . 1 . . . B 58 U H3' . 19548 2 50 . 2 2 4 4 U H4' H 1 4.395 0.002 . 1 . . . B 58 U H4' . 19548 2 51 . 2 2 4 4 U H5 H 1 5.012 0.010 . 1 . . . B 58 U H5 . 19548 2 52 . 2 2 4 4 U H5' H 1 4.508 0.001 . 2 . . . B 58 U H5' . 19548 2 53 . 2 2 4 4 U H5'' H 1 4.058 0.007 . 2 . . . B 58 U H5'' . 19548 2 54 . 2 2 4 4 U H6 H 1 7.694 0.010 . 1 . . . B 58 U H6 . 19548 2 55 . 2 2 4 4 U C1' C 13 93.629 0.048 . 1 . . . B 58 U C1' . 19548 2 56 . 2 2 4 4 U C2' C 13 75.431 0.078 . 1 . . . B 58 U C2' . 19548 2 57 . 2 2 4 4 U C3' C 13 72.282 0.020 . 1 . . . B 58 U C3' . 19548 2 58 . 2 2 4 4 U C4' C 13 82.193 0.020 . 1 . . . B 58 U C4' . 19548 2 59 . 2 2 4 4 U C5 C 13 102.638 0.092 . 1 . . . B 58 U C5 . 19548 2 60 . 2 2 4 4 U C5' C 13 64.391 0.046 . 1 . . . B 58 U C5' . 19548 2 61 . 2 2 4 4 U C6 C 13 141.756 0.059 . 1 . . . B 58 U C6 . 19548 2 62 . 2 2 4 4 U N3 N 15 162.751 0.000 . 1 . . . B 58 U N3 . 19548 2 63 . 2 2 5 5 C H1' H 1 5.541 0.009 . 1 . . . B 59 C H1' . 19548 2 64 . 2 2 5 5 C H2' H 1 4.627 0.004 . 1 . . . B 59 C H2' . 19548 2 65 . 2 2 5 5 C H3' H 1 4.502 0.003 . 1 . . . B 59 C H3' . 19548 2 66 . 2 2 5 5 C H4' H 1 4.450 0.002 . 1 . . . B 59 C H4' . 19548 2 67 . 2 2 5 5 C H5 H 1 5.625 0.012 . 1 . . . B 59 C H5 . 19548 2 68 . 2 2 5 5 C H5' H 1 4.476 0.000 . 2 . . . B 59 C H5' . 19548 2 69 . 2 2 5 5 C H5'' H 1 4.106 0.013 . 2 . . . B 59 C H5'' . 19548 2 70 . 2 2 5 5 C H6 H 1 7.723 0.006 . 1 . . . B 59 C H6 . 19548 2 71 . 2 2 5 5 C H41 H 1 8.219 0.003 . 2 . . . B 59 C H41 . 19548 2 72 . 2 2 5 5 C H42 H 1 6.745 0.006 . 2 . . . B 59 C H42 . 19548 2 73 . 2 2 5 5 C C1' C 13 93.994 0.032 . 1 . . . B 59 C C1' . 19548 2 74 . 2 2 5 5 C C2' C 13 75.712 0.034 . 1 . . . B 59 C C2' . 19548 2 75 . 2 2 5 5 C C3' C 13 73.225 0.018 . 1 . . . B 59 C C3' . 19548 2 76 . 2 2 5 5 C C4' C 13 82.225 0.044 . 1 . . . B 59 C C4' . 19548 2 77 . 2 2 5 5 C C5 C 13 98.368 0.076 . 1 . . . B 59 C C5 . 19548 2 78 . 2 2 5 5 C C5' C 13 65.576 0.101 . 1 . . . B 59 C C5' . 19548 2 79 . 2 2 5 5 C C6 C 13 141.376 0.031 . 1 . . . B 59 C C6 . 19548 2 80 . 2 2 5 5 C N4 N 15 97.061 0.007 . 1 . . . B 59 C N4 . 19548 2 81 . 2 2 6 6 A H1' H 1 5.822 0.007 . 1 . . . B 60 A H1' . 19548 2 82 . 2 2 6 6 A H2 H 1 7.218 0.006 . 1 . . . B 60 A H2 . 19548 2 83 . 2 2 6 6 A H2' H 1 4.499 0.010 . 1 . . . B 60 A H2' . 19548 2 84 . 2 2 6 6 A H3' H 1 4.393 0.006 . 1 . . . B 60 A H3' . 19548 2 85 . 2 2 6 6 A H4' H 1 4.463 0.004 . 1 . . . B 60 A H4' . 19548 2 86 . 2 2 6 6 A H5' H 1 4.447 0.004 . 2 . . . B 60 A H5' . 19548 2 87 . 2 2 6 6 A H5'' H 1 4.108 0.010 . 2 . . . B 60 A H5'' . 19548 2 88 . 2 2 6 6 A H8 H 1 7.945 0.013 . 1 . . . B 60 A H8 . 19548 2 89 . 2 2 6 6 A C1' C 13 93.295 0.054 . 1 . . . B 60 A C1' . 19548 2 90 . 2 2 6 6 A C2 C 13 152.934 0.036 . 1 . . . B 60 A C2 . 19548 2 91 . 2 2 6 6 A C2' C 13 75.496 0.018 . 1 . . . B 60 A C2' . 19548 2 92 . 2 2 6 6 A C3' C 13 73.320 0.076 . 1 . . . B 60 A C3' . 19548 2 93 . 2 2 6 6 A C4' C 13 82.109 0.018 . 1 . . . B 60 A C4' . 19548 2 94 . 2 2 6 6 A C5' C 13 66.159 0.088 . 1 . . . B 60 A C5' . 19548 2 95 . 2 2 6 6 A C8 C 13 139.790 0.044 . 1 . . . B 60 A C8 . 19548 2 96 . 2 2 7 7 U H1' H 1 5.357 0.015 . 1 . . . B 61 U H1' . 19548 2 97 . 2 2 7 7 U H2' H 1 4.495 0.006 . 1 . . . B 61 U H2' . 19548 2 98 . 2 2 7 7 U H3 H 1 13.970 0.002 . 1 . . . B 61 U H3 . 19548 2 99 . 2 2 7 7 U H3' H 1 4.271 0.012 . 1 . . . B 61 U H3' . 19548 2 100 . 2 2 7 7 U H4' H 1 4.345 0.008 . 1 . . . B 61 U H4' . 19548 2 101 . 2 2 7 7 U H5 H 1 4.925 0.013 . 1 . . . B 61 U H5 . 19548 2 102 . 2 2 7 7 U H5' H 1 4.452 0.009 . 2 . . . B 61 U H5' . 19548 2 103 . 2 2 7 7 U H5'' H 1 4.011 0.007 . 2 . . . B 61 U H5'' . 19548 2 104 . 2 2 7 7 U H6 H 1 7.379 0.007 . 1 . . . B 61 U H6 . 19548 2 105 . 2 2 7 7 U C1' C 13 93.385 0.027 . 1 . . . B 61 U C1' . 19548 2 106 . 2 2 7 7 U C2' C 13 75.461 0.022 . 1 . . . B 61 U C2' . 19548 2 107 . 2 2 7 7 U C3' C 13 72.840 0.027 . 1 . . . B 61 U C3' . 19548 2 108 . 2 2 7 7 U C4' C 13 82.046 0.015 . 1 . . . B 61 U C4' . 19548 2 109 . 2 2 7 7 U C5 C 13 102.543 0.123 . 1 . . . B 61 U C5 . 19548 2 110 . 2 2 7 7 U C5' C 13 64.873 0.049 . 1 . . . B 61 U C5' . 19548 2 111 . 2 2 7 7 U C6 C 13 141.345 0.043 . 1 . . . B 61 U C6 . 19548 2 112 . 2 2 7 7 U N3 N 15 162.577 0.000 . 1 . . . B 61 U N3 . 19548 2 113 . 2 2 8 8 C H1' H 1 5.287 0.030 . 1 . . . B 62 C H1' . 19548 2 114 . 2 2 8 8 C H2' H 1 4.838 0.001 . 1 . . . B 62 C H2' . 19548 2 115 . 2 2 8 8 C H3' H 1 4.337 0.000 . 1 . . . B 62 C H3' . 19548 2 116 . 2 2 8 8 C H4' H 1 4.495 0.000 . 1 . . . B 62 C H4' . 19548 2 117 . 2 2 8 8 C H5 H 1 5.353 0.005 . 1 . . . B 62 C H5 . 19548 2 118 . 2 2 8 8 C H6 H 1 7.414 0.006 . 1 . . . B 62 C H6 . 19548 2 119 . 2 2 8 8 C H41 H 1 7.657 0.006 . 2 . . . B 62 C H41 . 19548 2 120 . 2 2 8 8 C H42 H 1 6.985 0.003 . 2 . . . B 62 C H42 . 19548 2 121 . 2 2 8 8 C C1' C 13 95.256 0.054 . 1 . . . B 62 C C1' . 19548 2 122 . 2 2 8 8 C C2' C 13 75.443 0.027 . 1 . . . B 62 C C2' . 19548 2 123 . 2 2 8 8 C C3' C 13 72.452 0.000 . 1 . . . B 62 C C3' . 19548 2 124 . 2 2 8 8 C C4' C 13 82.163 0.000 . 1 . . . B 62 C C4' . 19548 2 125 . 2 2 8 8 C C5 C 13 97.756 0.030 . 1 . . . B 62 C C5 . 19548 2 126 . 2 2 8 8 C C6 C 13 141.207 0.024 . 1 . . . B 62 C C6 . 19548 2 127 . 2 2 8 8 C N4 N 15 96.182 0.015 . 1 . . . B 62 C N4 . 19548 2 128 . 2 2 9 9 A H1' H 1 6.123 0.007 . 1 . . . B 63 A H1' . 19548 2 129 . 2 2 9 9 A H2 H 1 8.063 0.012 . 1 . . . B 63 A H2 . 19548 2 130 . 2 2 9 9 A H2' H 1 4.398 0.004 . 1 . . . B 63 A H2' . 19548 2 131 . 2 2 9 9 A H3' H 1 4.674 0.011 . 1 . . . B 63 A H3' . 19548 2 132 . 2 2 9 9 A H5'' H 1 4.044 0.004 . 2 . . . B 63 A H5'' . 19548 2 133 . 2 2 9 9 A H8 H 1 8.244 0.009 . 1 . . . B 63 A H8 . 19548 2 134 . 2 2 9 9 A C1' C 13 91.186 0.012 . 1 . . . B 63 A C1' . 19548 2 135 . 2 2 9 9 A C2 C 13 155.674 0.101 . 1 . . . B 63 A C2 . 19548 2 136 . 2 2 9 9 A C2' C 13 77.861 0.037 . 1 . . . B 63 A C2' . 19548 2 137 . 2 2 9 9 A C3' C 13 76.995 0.101 . 1 . . . B 63 A C3' . 19548 2 138 . 2 2 9 9 A C5' C 13 66.281 0.008 . 1 . . . B 63 A C5' . 19548 2 139 . 2 2 9 9 A C8 C 13 141.004 0.081 . 1 . . . B 63 A C8 . 19548 2 140 . 2 2 10 10 G H1 H 1 12.206 0.000 . 1 . . . B 64 G H1 . 19548 2 141 . 2 2 10 10 G H1' H 1 5.280 0.006 . 1 . . . B 64 G H1' . 19548 2 142 . 2 2 10 10 G H2' H 1 4.368 0.007 . 1 . . . B 64 G H2' . 19548 2 143 . 2 2 10 10 G H3' H 1 4.681 0.005 . 1 . . . B 64 G H3' . 19548 2 144 . 2 2 10 10 G H4' H 1 4.146 0.011 . 1 . . . B 64 G H4' . 19548 2 145 . 2 2 10 10 G H5' H 1 4.472 0.008 . 2 . . . B 64 G H5' . 19548 2 146 . 2 2 10 10 G H5'' H 1 3.924 0.018 . 2 . . . B 64 G H5'' . 19548 2 147 . 2 2 10 10 G H8 H 1 7.564 0.013 . 1 . . . B 64 G H8 . 19548 2 148 . 2 2 10 10 G C1' C 13 92.798 0.029 . 1 . . . B 64 G C1' . 19548 2 149 . 2 2 10 10 G C2' C 13 77.924 0.038 . 1 . . . B 64 G C2' . 19548 2 150 . 2 2 10 10 G C3' C 13 79.341 0.035 . 1 . . . B 64 G C3' . 19548 2 151 . 2 2 10 10 G C4' C 13 88.173 0.018 . 1 . . . B 64 G C4' . 19548 2 152 . 2 2 10 10 G C5' C 13 67.769 0.026 . 1 . . . B 64 G C5' . 19548 2 153 . 2 2 10 10 G C8 C 13 139.511 0.050 . 1 . . . B 64 G C8 . 19548 2 154 . 2 2 10 10 G N1 N 15 147.418 0.000 . 1 . . . B 64 G N1 . 19548 2 155 . 2 2 11 11 G H1 H 1 11.455 0.011 . 1 . . . B 65 G H1 . 19548 2 156 . 2 2 11 11 G H1' H 1 5.753 0.014 . 1 . . . B 65 G H1' . 19548 2 157 . 2 2 11 11 G H2' H 1 4.503 0.003 . 1 . . . B 65 G H2' . 19548 2 158 . 2 2 11 11 G H3' H 1 4.577 0.001 . 1 . . . B 65 G H3' . 19548 2 159 . 2 2 11 11 G H4' H 1 4.255 0.014 . 1 . . . B 65 G H4' . 19548 2 160 . 2 2 11 11 G H5' H 1 3.600 0.012 . 2 . . . B 65 G H5' . 19548 2 161 . 2 2 11 11 G H8 H 1 8.463 0.006 . 1 . . . B 65 G H8 . 19548 2 162 . 2 2 11 11 G C1' C 13 88.560 0.021 . 1 . . . B 65 G C1' . 19548 2 163 . 2 2 11 11 G C2' C 13 79.177 0.035 . 1 . . . B 65 G C2' . 19548 2 164 . 2 2 11 11 G C3' C 13 79.041 0.046 . 1 . . . B 65 G C3' . 19548 2 165 . 2 2 11 11 G C4' C 13 87.458 0.089 . 1 . . . B 65 G C4' . 19548 2 166 . 2 2 11 11 G C5' C 13 67.672 0.046 . 1 . . . B 65 G C5' . 19548 2 167 . 2 2 11 11 G C8 C 13 141.160 0.035 . 1 . . . B 65 G C8 . 19548 2 168 . 2 2 11 11 G N1 N 15 146.187 0.000 . 1 . . . B 65 G N1 . 19548 2 169 . 2 2 12 12 A H1' H 1 6.448 0.008 . 1 . . . B 66 A H1' . 19548 2 170 . 2 2 12 12 A H2 H 1 8.476 0.014 . 1 . . . B 66 A H2 . 19548 2 171 . 2 2 12 12 A H2' H 1 4.316 0.008 . 1 . . . B 66 A H2' . 19548 2 172 . 2 2 12 12 A H3' H 1 5.074 0.010 . 1 . . . B 66 A H3' . 19548 2 173 . 2 2 12 12 A H4' H 1 4.517 0.004 . 1 . . . B 66 A H4' . 19548 2 174 . 2 2 12 12 A H5' H 1 4.450 0.011 . 2 . . . B 66 A H5' . 19548 2 175 . 2 2 12 12 A H5'' H 1 4.257 0.011 . 2 . . . B 66 A H5'' . 19548 2 176 . 2 2 12 12 A H8 H 1 9.069 0.019 . 1 . . . B 66 A H8 . 19548 2 177 . 2 2 12 12 A C1' C 13 90.482 0.032 . 1 . . . B 66 A C1' . 19548 2 178 . 2 2 12 12 A C2 C 13 156.892 0.047 . 1 . . . B 66 A C2 . 19548 2 179 . 2 2 12 12 A C2' C 13 78.498 0.045 . 1 . . . B 66 A C2' . 19548 2 180 . 2 2 12 12 A C3' C 13 75.132 0.039 . 1 . . . B 66 A C3' . 19548 2 181 . 2 2 12 12 A C4' C 13 81.995 0.038 . 1 . . . B 66 A C4' . 19548 2 182 . 2 2 12 12 A C5' C 13 68.644 0.065 . 1 . . . B 66 A C5' . 19548 2 183 . 2 2 12 12 A C8 C 13 142.071 0.096 . 1 . . . B 66 A C8 . 19548 2 184 . 2 2 13 13 C H1' H 1 5.859 0.007 . 1 . . . B 67 C H1' . 19548 2 185 . 2 2 13 13 C H2' H 1 4.250 0.006 . 1 . . . B 67 C H2' . 19548 2 186 . 2 2 13 13 C H3' H 1 4.487 0.003 . 1 . . . B 67 C H3' . 19548 2 187 . 2 2 13 13 C H4' H 1 4.203 0.006 . 1 . . . B 67 C H4' . 19548 2 188 . 2 2 13 13 C H5 H 1 6.038 0.013 . 1 . . . B 67 C H5 . 19548 2 189 . 2 2 13 13 C H5' H 1 4.219 0.004 . 2 . . . B 67 C H5' . 19548 2 190 . 2 2 13 13 C H5'' H 1 4.038 0.003 . 2 . . . B 67 C H5'' . 19548 2 191 . 2 2 13 13 C H6 H 1 7.695 0.003 . 1 . . . B 67 C H6 . 19548 2 192 . 2 2 13 13 C C1' C 13 92.319 0.039 . 1 . . . B 67 C C1' . 19548 2 193 . 2 2 13 13 C C2' C 13 76.595 0.006 . 1 . . . B 67 C C2' . 19548 2 194 . 2 2 13 13 C C3' C 13 76.643 0.021 . 1 . . . B 67 C C3' . 19548 2 195 . 2 2 13 13 C C4' C 13 84.993 0.037 . 1 . . . B 67 C C4' . 19548 2 196 . 2 2 13 13 C C5 C 13 99.090 0.073 . 1 . . . B 67 C C5 . 19548 2 197 . 2 2 13 13 C C5' C 13 68.580 0.039 . 1 . . . B 67 C C5' . 19548 2 198 . 2 2 13 13 C C6 C 13 144.101 0.018 . 1 . . . B 67 C C6 . 19548 2 199 . 2 2 14 14 G H1 H 1 12.331 0.006 . 1 . . . B 68 G H1 . 19548 2 200 . 2 2 14 14 G H1' H 1 5.100 0.006 . 1 . . . B 68 G H1' . 19548 2 201 . 2 2 14 14 G H2' H 1 4.711 0.007 . 1 . . . B 68 G H2' . 19548 2 202 . 2 2 14 14 G H3' H 1 4.455 0.006 . 1 . . . B 68 G H3' . 19548 2 203 . 2 2 14 14 G H4' H 1 4.236 0.010 . 1 . . . B 68 G H4' . 19548 2 204 . 2 2 14 14 G H5' H 1 4.074 0.007 . 2 . . . B 68 G H5' . 19548 2 205 . 2 2 14 14 G H5'' H 1 4.033 0.010 . 2 . . . B 68 G H5'' . 19548 2 206 . 2 2 14 14 G H8 H 1 7.308 0.009 . 1 . . . B 68 G H8 . 19548 2 207 . 2 2 14 14 G C1' C 13 93.155 0.060 . 1 . . . B 68 G C1' . 19548 2 208 . 2 2 14 14 G C2' C 13 75.462 0.091 . 1 . . . B 68 G C2' . 19548 2 209 . 2 2 14 14 G C3' C 13 74.370 0.042 . 1 . . . B 68 G C3' . 19548 2 210 . 2 2 14 14 G C4' C 13 82.669 0.042 . 1 . . . B 68 G C4' . 19548 2 211 . 2 2 14 14 G C5' C 13 67.211 0.076 . 1 . . . B 68 G C5' . 19548 2 212 . 2 2 14 14 G C8 C 13 136.638 0.054 . 1 . . . B 68 G C8 . 19548 2 213 . 2 2 14 14 G N1 N 15 147.485 0.000 . 1 . . . B 68 G N1 . 19548 2 214 . 2 2 15 15 A H1' H 1 6.024 0.011 . 1 . . . B 69 A H1' . 19548 2 215 . 2 2 15 15 A H2 H 1 7.757 0.014 . 1 . . . B 69 A H2 . 19548 2 216 . 2 2 15 15 A H2' H 1 4.664 0.006 . 1 . . . B 69 A H2' . 19548 2 217 . 2 2 15 15 A H3' H 1 4.576 0.004 . 1 . . . B 69 A H3' . 19548 2 218 . 2 2 15 15 A H4' H 1 4.558 0.006 . 1 . . . B 69 A H4' . 19548 2 219 . 2 2 15 15 A H5' H 1 4.507 0.000 . 2 . . . B 69 A H5' . 19548 2 220 . 2 2 15 15 A H5'' H 1 4.097 0.010 . 2 . . . B 69 A H5'' . 19548 2 221 . 2 2 15 15 A H8 H 1 7.708 0.016 . 1 . . . B 69 A H8 . 19548 2 222 . 2 2 15 15 A C1' C 13 93.592 0.011 . 1 . . . B 69 A C1' . 19548 2 223 . 2 2 15 15 A C2 C 13 153.879 0.076 . 1 . . . B 69 A C2 . 19548 2 224 . 2 2 15 15 A C2' C 13 75.395 0.042 . 1 . . . B 69 A C2' . 19548 2 225 . 2 2 15 15 A C3' C 13 72.900 0.065 . 1 . . . B 69 A C3' . 19548 2 226 . 2 2 15 15 A C4' C 13 82.418 0.072 . 1 . . . B 69 A C4' . 19548 2 227 . 2 2 15 15 A C5' C 13 64.930 0.107 . 1 . . . B 69 A C5' . 19548 2 228 . 2 2 15 15 A C8 C 13 139.855 0.141 . 1 . . . B 69 A C8 . 19548 2 229 . 2 2 16 16 U H1' H 1 5.574 0.008 . 1 . . . B 70 U H1' . 19548 2 230 . 2 2 16 16 U H2' H 1 4.499 0.002 . 1 . . . B 70 U H2' . 19548 2 231 . 2 2 16 16 U H3 H 1 13.451 0.001 . 1 . . . B 70 U H3 . 19548 2 232 . 2 2 16 16 U H3' H 1 4.522 0.005 . 1 . . . B 70 U H3' . 19548 2 233 . 2 2 16 16 U H4' H 1 4.453 0.000 . 1 . . . B 70 U H4' . 19548 2 234 . 2 2 16 16 U H5 H 1 4.914 0.009 . 1 . . . B 70 U H5 . 19548 2 235 . 2 2 16 16 U H5' H 1 4.571 0.002 . 2 . . . B 70 U H5' . 19548 2 236 . 2 2 16 16 U H5'' H 1 4.084 0.006 . 2 . . . B 70 U H5'' . 19548 2 237 . 2 2 16 16 U H6 H 1 7.583 0.009 . 1 . . . B 70 U H6 . 19548 2 238 . 2 2 16 16 U C1' C 13 93.206 0.058 . 1 . . . B 70 U C1' . 19548 2 239 . 2 2 16 16 U C2' C 13 75.578 0.010 . 1 . . . B 70 U C2' . 19548 2 240 . 2 2 16 16 U C3' C 13 72.879 0.068 . 1 . . . B 70 U C3' . 19548 2 241 . 2 2 16 16 U C4' C 13 82.178 0.064 . 1 . . . B 70 U C4' . 19548 2 242 . 2 2 16 16 U C5 C 13 102.764 0.062 . 1 . . . B 70 U C5 . 19548 2 243 . 2 2 16 16 U C5' C 13 64.861 0.032 . 1 . . . B 70 U C5' . 19548 2 244 . 2 2 16 16 U C6 C 13 141.628 0.055 . 1 . . . B 70 U C6 . 19548 2 245 . 2 2 16 16 U N3 N 15 162.686 0.000 . 1 . . . B 70 U N3 . 19548 2 246 . 2 2 17 17 G H1 H 1 11.722 0.002 . 1 . . . B 71 G H1 . 19548 2 247 . 2 2 17 17 G H1' H 1 5.764 0.012 . 1 . . . B 71 G H1' . 19548 2 248 . 2 2 17 17 G H2' H 1 4.527 0.009 . 1 . . . B 71 G H2' . 19548 2 249 . 2 2 17 17 G H3' H 1 4.665 0.006 . 1 . . . B 71 G H3' . 19548 2 250 . 2 2 17 17 G H4' H 1 4.490 0.002 . 1 . . . B 71 G H4' . 19548 2 251 . 2 2 17 17 G H5' H 1 4.457 0.003 . 2 . . . B 71 G H5' . 19548 2 252 . 2 2 17 17 G H5'' H 1 4.129 0.036 . 2 . . . B 71 G H5'' . 19548 2 253 . 2 2 17 17 G H8 H 1 7.736 0.014 . 1 . . . B 71 G H8 . 19548 2 254 . 2 2 17 17 G C1' C 13 92.673 0.070 . 1 . . . B 71 G C1' . 19548 2 255 . 2 2 17 17 G C2' C 13 75.570 0.055 . 1 . . . B 71 G C2' . 19548 2 256 . 2 2 17 17 G C3' C 13 73.493 0.032 . 1 . . . B 71 G C3' . 19548 2 257 . 2 2 17 17 G C4' C 13 82.385 0.008 . 1 . . . B 71 G C4' . 19548 2 258 . 2 2 17 17 G C5' C 13 65.828 0.108 . 1 . . . B 71 G C5' . 19548 2 259 . 2 2 17 17 G C8 C 13 137.186 0.042 . 1 . . . B 71 G C8 . 19548 2 260 . 2 2 17 17 G N1 N 15 146.330 0.000 . 1 . . . B 71 G N1 . 19548 2 261 . 2 2 18 18 A H1' H 1 5.933 0.009 . 1 . . . B 72 A H1' . 19548 2 262 . 2 2 18 18 A H2 H 1 7.721 0.011 . 1 . . . B 72 A H2 . 19548 2 263 . 2 2 18 18 A H2' H 1 4.471 0.007 . 1 . . . B 72 A H2' . 19548 2 264 . 2 2 18 18 A H3' H 1 4.665 0.010 . 1 . . . B 72 A H3' . 19548 2 265 . 2 2 18 18 A H4' H 1 4.458 0.007 . 1 . . . B 72 A H4' . 19548 2 266 . 2 2 18 18 A H5' H 1 4.575 0.004 . 2 . . . B 72 A H5' . 19548 2 267 . 2 2 18 18 A H5'' H 1 4.131 0.010 . 2 . . . B 72 A H5'' . 19548 2 268 . 2 2 18 18 A H8 H 1 8.012 0.019 . 1 . . . B 72 A H8 . 19548 2 269 . 2 2 18 18 A C1' C 13 92.775 0.084 . 1 . . . B 72 A C1' . 19548 2 270 . 2 2 18 18 A C2 C 13 154.315 0.125 . 1 . . . B 72 A C2 . 19548 2 271 . 2 2 18 18 A C2' C 13 75.491 0.021 . 1 . . . B 72 A C2' . 19548 2 272 . 2 2 18 18 A C3' C 13 72.564 0.024 . 1 . . . B 72 A C3' . 19548 2 273 . 2 2 18 18 A C4' C 13 82.048 0.041 . 1 . . . B 72 A C4' . 19548 2 274 . 2 2 18 18 A C5' C 13 64.853 0.046 . 1 . . . B 72 A C5' . 19548 2 275 . 2 2 18 18 A C8 C 13 139.781 0.002 . 1 . . . B 72 A C8 . 19548 2 276 . 2 2 19 19 C H1' H 1 5.405 0.008 . 1 . . . B 73 C H1' . 19548 2 277 . 2 2 19 19 C H2' H 1 4.178 0.008 . 1 . . . B 73 C H2' . 19548 2 278 . 2 2 19 19 C H3' H 1 4.367 0.005 . 1 . . . B 73 C H3' . 19548 2 279 . 2 2 19 19 C H4' H 1 4.362 0.004 . 1 . . . B 73 C H4' . 19548 2 280 . 2 2 19 19 C H5 H 1 5.154 0.009 . 1 . . . B 73 C H5 . 19548 2 281 . 2 2 19 19 C H5' H 1 4.474 0.006 . 2 . . . B 73 C H5' . 19548 2 282 . 2 2 19 19 C H5'' H 1 4.021 0.001 . 2 . . . B 73 C H5'' . 19548 2 283 . 2 2 19 19 C H6 H 1 7.578 0.016 . 1 . . . B 73 C H6 . 19548 2 284 . 2 2 19 19 C H41 H 1 8.346 0.010 . 2 . . . B 73 C H41 . 19548 2 285 . 2 2 19 19 C H42 H 1 6.778 0.008 . 2 . . . B 73 C H42 . 19548 2 286 . 2 2 19 19 C C1' C 13 93.750 0.036 . 1 . . . B 73 C C1' . 19548 2 287 . 2 2 19 19 C C2' C 13 75.602 0.000 . 1 . . . B 73 C C2' . 19548 2 288 . 2 2 19 19 C C3' C 13 72.338 0.020 . 1 . . . B 73 C C3' . 19548 2 289 . 2 2 19 19 C C4' C 13 81.955 0.022 . 1 . . . B 73 C C4' . 19548 2 290 . 2 2 19 19 C C5 C 13 97.120 0.050 . 1 . . . B 73 C C5 . 19548 2 291 . 2 2 19 19 C C5' C 13 64.662 0.089 . 1 . . . B 73 C C5' . 19548 2 292 . 2 2 19 19 C C6 C 13 141.029 0.042 . 1 . . . B 73 C C6 . 19548 2 293 . 2 2 19 19 C N4 N 15 98.516 0.001 . 1 . . . B 73 C N4 . 19548 2 294 . 2 2 20 20 C H1' H 1 5.469 0.015 . 1 . . . B 74 C H1' . 19548 2 295 . 2 2 20 20 C H2' H 1 4.210 0.007 . 1 . . . B 74 C H2' . 19548 2 296 . 2 2 20 20 C H3' H 1 4.438 0.004 . 1 . . . B 74 C H3' . 19548 2 297 . 2 2 20 20 C H4' H 1 4.341 0.010 . 1 . . . B 74 C H4' . 19548 2 298 . 2 2 20 20 C H5 H 1 5.390 0.010 . 1 . . . B 74 C H5 . 19548 2 299 . 2 2 20 20 C H5' H 1 4.490 0.004 . 2 . . . B 74 C H5' . 19548 2 300 . 2 2 20 20 C H5'' H 1 4.020 0.003 . 2 . . . B 74 C H5'' . 19548 2 301 . 2 2 20 20 C H6 H 1 7.728 0.010 . 1 . . . B 74 C H6 . 19548 2 302 . 2 2 20 20 C H41 H 1 8.424 0.009 . 2 . . . B 74 C H41 . 19548 2 303 . 2 2 20 20 C H42 H 1 6.702 0.001 . 2 . . . B 74 C H42 . 19548 2 304 . 2 2 20 20 C C1' C 13 94.259 0.000 . 1 . . . B 74 C C1' . 19548 2 305 . 2 2 20 20 C C2' C 13 75.772 0.050 . 1 . . . B 74 C C2' . 19548 2 306 . 2 2 20 20 C C3' C 13 72.258 0.038 . 1 . . . B 74 C C3' . 19548 2 307 . 2 2 20 20 C C4' C 13 82.086 0.093 . 1 . . . B 74 C C4' . 19548 2 308 . 2 2 20 20 C C5 C 13 97.695 0.000 . 1 . . . B 74 C C5 . 19548 2 309 . 2 2 20 20 C C5' C 13 64.626 0.070 . 1 . . . B 74 C C5' . 19548 2 310 . 2 2 20 20 C C6 C 13 141.663 0.047 . 1 . . . B 74 C C6 . 19548 2 311 . 2 2 20 20 C N4 N 15 98.089 0.043 . 1 . . . B 74 C N4 . 19548 2 312 . 2 2 21 21 C H1' H 1 5.743 0.003 . 1 . . . B 75 C H1' . 19548 2 313 . 2 2 21 21 C H2' H 1 3.974 0.005 . 1 . . . B 75 C H2' . 19548 2 314 . 2 2 21 21 C H3' H 1 4.153 0.005 . 1 . . . B 75 C H3' . 19548 2 315 . 2 2 21 21 C H4' H 1 4.140 0.005 . 1 . . . B 75 C H4' . 19548 2 316 . 2 2 21 21 C H5 H 1 5.456 0.006 . 1 . . . B 75 C H5 . 19548 2 317 . 2 2 21 21 C H5' H 1 4.445 0.002 . 2 . . . B 75 C H5' . 19548 2 318 . 2 2 21 21 C H5'' H 1 4.004 0.005 . 2 . . . B 75 C H5'' . 19548 2 319 . 2 2 21 21 C H6 H 1 7.658 0.006 . 1 . . . B 75 C H6 . 19548 2 320 . 2 2 21 21 C C1' C 13 92.901 0.014 . 1 . . . B 75 C C1' . 19548 2 321 . 2 2 21 21 C C2' C 13 77.702 0.000 . 1 . . . B 75 C C2' . 19548 2 322 . 2 2 21 21 C C3' C 13 70.026 0.000 . 1 . . . B 75 C C3' . 19548 2 323 . 2 2 21 21 C C4' C 13 83.810 0.000 . 1 . . . B 75 C C4' . 19548 2 324 . 2 2 21 21 C C5 C 13 98.065 0.000 . 1 . . . B 75 C C5 . 19548 2 325 . 2 2 21 21 C C5' C 13 65.316 0.097 . 1 . . . B 75 C C5' . 19548 2 326 . 2 2 21 21 C C6 C 13 142.082 0.081 . 1 . . . B 75 C C6 . 19548 2 stop_ save_