data_19544 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19544 _Entry.Title ; Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL1)/RsmE(dimer) 2:1 complex ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2013-10-10 _Entry.Accession_date 2013-10-10 _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 . . . 19544 2 Nana 'Diarra Dit Konte' . . . 19544 3 Erich Michel . . . 19544 4 Mario Schubert . . . 19544 5 Frederic Allain . 'H. T.' . 19544 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' . 19544 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'bacterial protein' . 19544 CsrA . 19544 CsrB . 19544 'homo-dimeric protein' . 19544 'messenger RNA' . 19544 'modulation of binding affinity' . 19544 'molecular mimicry' . 19544 NMR . 19544 'non-coding RNA' . 19544 'protein sequestration' . 19544 'Pseudomonas aeruginosa' . 19544 'RNA-Binding Proteins' . 19544 RsmA . 19544 RsmE . 19544 RsmZ . 19544 sRNA . 19544 'translation activation' . 19544 'translation repressor protein' . 19544 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19544 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 19544 '15N chemical shifts' 78 19544 '1H chemical shifts' 648 19544 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' 19544 1 . . 2014-02-24 2013-10-11 original author 'original release' 19544 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19546 'RsmZ(SL2)/RsmE(dimer) 2:1 complex' 19544 BMRB 19547 'RsmZ(SL3)/RsmE(dimer) 2:1 complex' 19544 BMRB 19548 'RsmZ(SL4)/RsmE(dimer) 2:1 complex' 19544 BMRB 19549 'RsmZ(36-44)/RsmE(dimer) 2:1 complex' 19544 PDB 2MFC 'BMRB Entry Tracking System' 19544 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19544 _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 . . . 19544 1 2 Erich Michel . . . 19544 1 3 Nana 'Diarra Dit Konte' . . . 19544 1 4 Mario Schubert . . . 19544 1 5 'Frederic H-T' Allain . . . 19544 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19544 _Assembly.ID 1 _Assembly.Name 'RsmZ(SL1)/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 . . . 19544 1 2 SL1(RsmZ)_1 2 $SL1(RsmZ) B . yes native no no . . . 19544 1 3 RsmE_2 1 $RsmE C . yes native no no . . . 19544 1 4 SL1(RsmZ)_2 2 $SL1(RsmZ) D . yes native no no . . . 19544 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RsmE _Entity.Sf_category entity _Entity.Sf_framecode RsmE _Entity.Entry_ID 19544 _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 . . . . 19544 1 2 no BMRB 19534 . RsmE . . . . . 90.77 59 100.00 100.00 4.36e-32 . . . . 19544 1 3 no BMRB 19546 . RsmE . . . . . 100.00 65 100.00 100.00 2.60e-37 . . . . 19544 1 4 no BMRB 19547 . RsmE . . . . . 100.00 65 100.00 100.00 2.60e-37 . . . . 19544 1 5 no BMRB 19548 . RsmE . . . . . 100.00 65 100.00 100.00 2.60e-37 . . . . 19544 1 6 no BMRB 19549 . RsmE . . . . . 100.00 65 100.00 100.00 2.60e-37 . . . . 19544 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 . . . . 19544 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 . . . . 19544 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 . . . . 19544 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 . . . . 19544 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 . . . . 19544 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 . . . . 19544 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 . . . . 19544 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 . . . . 19544 1 15 no DBJ BAO61455 . "carbon storage regulator [Pseudomonas protegens Cab57]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19544 1 16 no DBJ BAQ73744 . "translational regulator RsmE [Pseudomonas sp. Os17]" . . . . . 98.46 64 98.44 100.00 1.41e-35 . . . . 19544 1 17 no DBJ BAQ80031 . "translational regulator RsmE [Pseudomonas sp. St29]" . . . . . 98.46 64 98.44 100.00 1.41e-35 . . . . 19544 1 18 no GB AAT27429 . "translational repressor [Pseudomonas protegens]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19544 1 19 no GB AAY91370 . "translational regulator RsmE [Pseudomonas protegens Pf-5]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19544 1 20 no GB AEL31265 . "RsmE [Pseudomonas chlororaphis]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19544 1 21 no GB AGL83913 . "carbon storage regulator [Pseudomonas protegens CHA0]" . . . . . 98.46 77 100.00 100.00 2.65e-36 . . . . 19544 1 22 no GB AIC19187 . "carbon storage regulator CsrA [Pseudomonas chlororaphis]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19544 1 23 no REF WP_007920550 . "MULTISPECIES: carbon storage regulator [Pseudomonas]" . . . . . 98.46 64 100.00 100.00 3.67e-36 . . . . 19544 1 24 no REF WP_017337657 . "MULTISPECIES: carbon storage regulator [Pseudomonas]" . . . . . 92.31 63 100.00 100.00 1.10e-32 . . . . 19544 1 25 no REF WP_045057924 . "carbon storage regulator [Pseudomonas sp. ES3-33]" . . . . . 92.31 63 100.00 100.00 1.02e-32 . . . . 19544 1 26 no REF WP_057444113 . "carbon storage regulator CsrA [Pseudomonas fluorescens]" . . . . . 92.31 70 100.00 100.00 1.50e-32 . . . . 19544 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 . 19544 1 2 2 LEU . 19544 1 3 3 ILE . 19544 1 4 4 LEU . 19544 1 5 5 THR . 19544 1 6 6 ARG . 19544 1 7 7 LYS . 19544 1 8 8 VAL . 19544 1 9 9 GLY . 19544 1 10 10 GLU . 19544 1 11 11 SER . 19544 1 12 12 ILE . 19544 1 13 13 ASN . 19544 1 14 14 ILE . 19544 1 15 15 GLY . 19544 1 16 16 ASP . 19544 1 17 17 ASP . 19544 1 18 18 ILE . 19544 1 19 19 THR . 19544 1 20 20 ILE . 19544 1 21 21 THR . 19544 1 22 22 ILE . 19544 1 23 23 LEU . 19544 1 24 24 GLY . 19544 1 25 25 VAL . 19544 1 26 26 SER . 19544 1 27 27 GLY . 19544 1 28 28 GLN . 19544 1 29 29 GLN . 19544 1 30 30 VAL . 19544 1 31 31 ARG . 19544 1 32 32 ILE . 19544 1 33 33 GLY . 19544 1 34 34 ILE . 19544 1 35 35 ASN . 19544 1 36 36 ALA . 19544 1 37 37 PRO . 19544 1 38 38 LYS . 19544 1 39 39 ASP . 19544 1 40 40 VAL . 19544 1 41 41 ALA . 19544 1 42 42 VAL . 19544 1 43 43 HIS . 19544 1 44 44 ARG . 19544 1 45 45 GLU . 19544 1 46 46 GLU . 19544 1 47 47 ILE . 19544 1 48 48 TYR . 19544 1 49 49 GLN . 19544 1 50 50 ARG . 19544 1 51 51 ILE . 19544 1 52 52 GLN . 19544 1 53 53 ALA . 19544 1 54 54 GLY . 19544 1 55 55 LEU . 19544 1 56 56 THR . 19544 1 57 57 ALA . 19544 1 58 58 PRO . 19544 1 59 59 ASP . 19544 1 60 60 LYS . 19544 1 61 61 ARG . 19544 1 62 62 GLU . 19544 1 63 63 THR . 19544 1 64 64 PRO . 19544 1 65 65 HIS . 19544 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 19544 1 . LEU 2 2 19544 1 . ILE 3 3 19544 1 . LEU 4 4 19544 1 . THR 5 5 19544 1 . ARG 6 6 19544 1 . LYS 7 7 19544 1 . VAL 8 8 19544 1 . GLY 9 9 19544 1 . GLU 10 10 19544 1 . SER 11 11 19544 1 . ILE 12 12 19544 1 . ASN 13 13 19544 1 . ILE 14 14 19544 1 . GLY 15 15 19544 1 . ASP 16 16 19544 1 . ASP 17 17 19544 1 . ILE 18 18 19544 1 . THR 19 19 19544 1 . ILE 20 20 19544 1 . THR 21 21 19544 1 . ILE 22 22 19544 1 . LEU 23 23 19544 1 . GLY 24 24 19544 1 . VAL 25 25 19544 1 . SER 26 26 19544 1 . GLY 27 27 19544 1 . GLN 28 28 19544 1 . GLN 29 29 19544 1 . VAL 30 30 19544 1 . ARG 31 31 19544 1 . ILE 32 32 19544 1 . GLY 33 33 19544 1 . ILE 34 34 19544 1 . ASN 35 35 19544 1 . ALA 36 36 19544 1 . PRO 37 37 19544 1 . LYS 38 38 19544 1 . ASP 39 39 19544 1 . VAL 40 40 19544 1 . ALA 41 41 19544 1 . VAL 42 42 19544 1 . HIS 43 43 19544 1 . ARG 44 44 19544 1 . GLU 45 45 19544 1 . GLU 46 46 19544 1 . ILE 47 47 19544 1 . TYR 48 48 19544 1 . GLN 49 49 19544 1 . ARG 50 50 19544 1 . ILE 51 51 19544 1 . GLN 52 52 19544 1 . ALA 53 53 19544 1 . GLY 54 54 19544 1 . LEU 55 55 19544 1 . THR 56 56 19544 1 . ALA 57 57 19544 1 . PRO 58 58 19544 1 . ASP 59 59 19544 1 . LYS 60 60 19544 1 . ARG 61 61 19544 1 . GLU 62 62 19544 1 . THR 63 63 19544 1 . PRO 64 64 19544 1 . HIS 65 65 19544 1 stop_ save_ save_SL1(RsmZ) _Entity.Sf_category entity _Entity.Sf_framecode SL1(RsmZ) _Entity.Entry_ID 19544 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SL1(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 ; GGGUGUCGACGGAUAGACAC CC ; _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 22 _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 7112.354 _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 -3 G . 19544 2 2 -2 G . 19544 2 3 -1 G . 19544 2 4 1 U . 19544 2 5 2 G . 19544 2 6 3 U . 19544 2 7 4 C . 19544 2 8 5 G . 19544 2 9 6 A . 19544 2 10 7 C . 19544 2 11 8 G . 19544 2 12 9 G . 19544 2 13 10 A . 19544 2 14 11 U . 19544 2 15 12 A . 19544 2 16 13 G . 19544 2 17 14 A . 19544 2 18 15 C . 19544 2 19 16 A . 19544 2 20 17 C . 19544 2 21 18 C . 19544 2 22 19 C . 19544 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 19544 2 . G 2 2 19544 2 . G 3 3 19544 2 . U 4 4 19544 2 . G 5 5 19544 2 . U 6 6 19544 2 . C 7 7 19544 2 . G 8 8 19544 2 . A 9 9 19544 2 . C 10 10 19544 2 . G 11 11 19544 2 . G 12 12 19544 2 . A 13 13 19544 2 . U 14 14 19544 2 . A 15 15 19544 2 . G 16 16 19544 2 . A 17 17 19544 2 . C 18 18 19544 2 . A 19 19 19544 2 . C 20 20 19544 2 . C 21 21 19544 2 . C 22 22 19544 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 19544 _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 . . . . . . . . . . . . . . . . . . . . 19544 1 2 2 $SL1(RsmZ) . 294 organism . 'Pseudomonas fluorescens' g-proteobacteria . . Bacteria . Pseudomonas fluorescens CHA0 . . . . . . . . . . . . . . . . . . . . 19544 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 19544 _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 . . . . . . 19544 1 2 2 $SL1(RsmZ) . 'in vitro transcription' 'T7 phage' . . . T7 phage . . . . . . . . . . . . . . . . . . . . . . . 19544 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19544 _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 . . . . 19544 1 2 SL1(RsmZ) 'natural abundance' . . 2 $SL1(RsmZ) . . 1 . . mM . . . . 19544 1 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19544 1 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19544 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19544 1 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19544 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19544 _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 . . . . 19544 2 2 SL1(RsmZ) 'natural abundance' . . 2 $SL1(RsmZ) . . 1 . . mM . . . . 19544 2 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19544 2 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19544 2 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19544 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19544 _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 . . . . 19544 3 2 SL1(RsmZ) 'natural abundance' . . 2 $SL1(RsmZ) . . 1 . . mM . . . . 19544 3 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19544 3 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19544 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19544 3 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19544 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19544 _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 . . . . 19544 4 2 SL1(RsmZ) 'natural abundance' . . 2 $SL1(RsmZ) . . 1 . . mM . . . . 19544 4 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19544 4 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19544 4 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19544 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19544 _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 . . . . 19544 5 2 SL1(RsmZ) '[U-100% 13C; U-100% 15N]-Ade/Ura RNA' . . 2 $SL1(RsmZ) . . 1 . . mM . . . . 19544 5 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19544 5 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19544 5 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19544 5 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19544 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19544 _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 . . . . 19544 6 2 SL1(RsmZ) '[U-100% 13C; U-100% 15N]-Ade/Ura RNA' . . 2 $SL1(RsmZ) . . 1 . . mM . . . . 19544 6 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19544 6 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19544 6 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19544 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 19544 _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 . . . . 19544 7 2 SL1(RsmZ) '[U-100% 13C; U-100% 15N]-Cyt/Gua RNA' . . 2 $SL1(RsmZ) . . 1 . . mM . . . . 19544 7 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19544 7 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19544 7 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19544 7 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19544 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 19544 _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 . . . . 19544 8 2 SL1(RsmZ) '[U-100% 13C; U-100% 15N]-Cyt/Gua RNA' . . 2 $SL1(RsmZ) . . 1 . . mM . . . . 19544 8 3 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19544 8 4 'sodium chloride' 'natural abundance' . . . . . . 0.03 . . mM . . . . 19544 8 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19544 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 19544 _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 19544 1 pH 7.2 . pH 19544 1 pressure 1 . atm 19544 1 temperature 313 . K 19544 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19544 _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' . . 19544 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19544 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19544 _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 . . 19544 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19544 2 'data analysis' 19544 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19544 _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' . . 19544 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19544 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19544 _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' . . 19544 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19544 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 19544 _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 19544 _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 19544 _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 19544 _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 19544 _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 . . . 19544 1 2 spectrometer_2 Bruker Avance . 600 . . . 19544 1 3 spectrometer_3 Bruker Avance . 700 . . . 19544 1 4 spectrometer_4 Bruker Avance . 900 . . . 19544 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 19544 _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 . . . . . . . . . . . . . . . . . . . . . 19544 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 7 '3D 1Fe3Ff NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 9 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 10 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 17 '3D 1H-13C NOESY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 18 '3D 1Fe3Ff NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 19 '3D 1Fe3Ff NOESY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 20 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 1 21 '3D HCCH-TOCSY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19544 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 19544 _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 . . . . . . . . . 19544 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19544 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19544 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 19544 _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' . . . 19544 1 2 '3D 1H-15N NOESY' . . . 19544 1 5 '2D 1H-13C HSQC' . . . 19544 1 6 '3D 1H-13C NOESY aliphatic' . . . 19544 1 8 '3D HCCH-TOCSY' . . . 19544 1 9 '3D HNCA' . . . 19544 1 10 '3D HNCACB' . . . 19544 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.999 0.005 . 1 . . . A 1 MET HA . 19544 1 2 . 1 1 1 1 MET HB2 H 1 1.881 0.012 . 2 . . . A 1 MET HB2 . 19544 1 3 . 1 1 1 1 MET HB3 H 1 1.881 0.012 . 2 . . . A 1 MET HB3 . 19544 1 4 . 1 1 1 1 MET HG2 H 1 2.277 0.011 . 2 . . . A 1 MET HG2 . 19544 1 5 . 1 1 1 1 MET HG3 H 1 2.277 0.011 . 2 . . . A 1 MET HG3 . 19544 1 6 . 1 1 1 1 MET HE1 H 1 1.902 0.013 . 1 . . . A 1 MET HE1 . 19544 1 7 . 1 1 1 1 MET HE2 H 1 1.902 0.013 . 1 . . . A 1 MET HE2 . 19544 1 8 . 1 1 1 1 MET HE3 H 1 1.902 0.013 . 1 . . . A 1 MET HE3 . 19544 1 9 . 1 1 1 1 MET CA C 13 55.493 0.000 . 1 . . . A 1 MET CA . 19544 1 10 . 1 1 1 1 MET CB C 13 34.934 0.029 . 1 . . . A 1 MET CB . 19544 1 11 . 1 1 1 1 MET CG C 13 31.111 0.145 . 1 . . . A 1 MET CG . 19544 1 12 . 1 1 1 1 MET CE C 13 17.218 0.030 . 1 . . . A 1 MET CE . 19544 1 13 . 1 1 2 2 LEU H H 1 8.389 0.008 . 1 . . . A 2 LEU H . 19544 1 14 . 1 1 2 2 LEU HA H 1 4.434 0.000 . 1 . . . A 2 LEU HA . 19544 1 15 . 1 1 2 2 LEU HB2 H 1 1.350 0.017 . 2 . . . A 2 LEU HB2 . 19544 1 16 . 1 1 2 2 LEU HB3 H 1 1.070 0.120 . 2 . . . A 2 LEU HB3 . 19544 1 17 . 1 1 2 2 LEU HG H 1 0.805 0.009 . 1 . . . A 2 LEU HG . 19544 1 18 . 1 1 2 2 LEU HD11 H 1 -0.291 0.014 . 2 . . . A 2 LEU HD11 . 19544 1 19 . 1 1 2 2 LEU HD12 H 1 -0.291 0.014 . 2 . . . A 2 LEU HD12 . 19544 1 20 . 1 1 2 2 LEU HD13 H 1 -0.291 0.014 . 2 . . . A 2 LEU HD13 . 19544 1 21 . 1 1 2 2 LEU HD21 H 1 0.473 0.010 . 2 . . . A 2 LEU HD21 . 19544 1 22 . 1 1 2 2 LEU HD22 H 1 0.473 0.010 . 2 . . . A 2 LEU HD22 . 19544 1 23 . 1 1 2 2 LEU HD23 H 1 0.473 0.010 . 2 . . . A 2 LEU HD23 . 19544 1 24 . 1 1 2 2 LEU CA C 13 54.276 0.000 . 1 . . . A 2 LEU CA . 19544 1 25 . 1 1 2 2 LEU CB C 13 42.199 0.079 . 1 . . . A 2 LEU CB . 19544 1 26 . 1 1 2 2 LEU CG C 13 27.417 0.082 . 1 . . . A 2 LEU CG . 19544 1 27 . 1 1 2 2 LEU CD1 C 13 25.777 0.033 . 2 . . . A 2 LEU CD1 . 19544 1 28 . 1 1 2 2 LEU CD2 C 13 22.283 0.024 . 2 . . . A 2 LEU CD2 . 19544 1 29 . 1 1 2 2 LEU N N 15 124.411 0.221 . 1 . . . A 2 LEU N . 19544 1 30 . 1 1 3 3 ILE H H 1 10.459 0.012 . 1 . . . A 3 ILE H . 19544 1 31 . 1 1 3 3 ILE HA H 1 4.927 0.005 . 1 . . . A 3 ILE HA . 19544 1 32 . 1 1 3 3 ILE HB H 1 0.722 0.017 . 1 . . . A 3 ILE HB . 19544 1 33 . 1 1 3 3 ILE HG12 H 1 1.247 0.024 . 2 . . . A 3 ILE HG12 . 19544 1 34 . 1 1 3 3 ILE HG13 H 1 0.704 0.000 . 2 . . . A 3 ILE HG13 . 19544 1 35 . 1 1 3 3 ILE HG21 H 1 0.213 0.004 . 1 . . . A 3 ILE HG21 . 19544 1 36 . 1 1 3 3 ILE HG22 H 1 0.213 0.004 . 1 . . . A 3 ILE HG22 . 19544 1 37 . 1 1 3 3 ILE HG23 H 1 0.213 0.004 . 1 . . . A 3 ILE HG23 . 19544 1 38 . 1 1 3 3 ILE HD11 H 1 0.553 0.034 . 1 . . . A 3 ILE HD11 . 19544 1 39 . 1 1 3 3 ILE HD12 H 1 0.553 0.034 . 1 . . . A 3 ILE HD12 . 19544 1 40 . 1 1 3 3 ILE HD13 H 1 0.553 0.034 . 1 . . . A 3 ILE HD13 . 19544 1 41 . 1 1 3 3 ILE CA C 13 60.154 0.143 . 1 . . . A 3 ILE CA . 19544 1 42 . 1 1 3 3 ILE CB C 13 37.834 0.065 . 1 . . . A 3 ILE CB . 19544 1 43 . 1 1 3 3 ILE CG1 C 13 27.450 0.052 . 1 . . . A 3 ILE CG1 . 19544 1 44 . 1 1 3 3 ILE CG2 C 13 17.090 0.049 . 1 . . . A 3 ILE CG2 . 19544 1 45 . 1 1 3 3 ILE CD1 C 13 13.875 0.000 . 1 . . . A 3 ILE CD1 . 19544 1 46 . 1 1 3 3 ILE N N 15 130.539 0.073 . 1 . . . A 3 ILE N . 19544 1 47 . 1 1 4 4 LEU H H 1 8.600 0.011 . 1 . . . A 4 LEU H . 19544 1 48 . 1 1 4 4 LEU HA H 1 4.860 0.008 . 1 . . . A 4 LEU HA . 19544 1 49 . 1 1 4 4 LEU HB2 H 1 1.230 0.016 . 2 . . . A 4 LEU HB2 . 19544 1 50 . 1 1 4 4 LEU HB3 H 1 0.983 0.020 . 2 . . . A 4 LEU HB3 . 19544 1 51 . 1 1 4 4 LEU HG H 1 1.103 0.001 . 1 . . . A 4 LEU HG . 19544 1 52 . 1 1 4 4 LEU HD11 H 1 0.296 0.057 . 2 . . . A 4 LEU HD11 . 19544 1 53 . 1 1 4 4 LEU HD12 H 1 0.296 0.057 . 2 . . . A 4 LEU HD12 . 19544 1 54 . 1 1 4 4 LEU HD13 H 1 0.296 0.057 . 2 . . . A 4 LEU HD13 . 19544 1 55 . 1 1 4 4 LEU HD21 H 1 0.106 0.012 . 2 . . . A 4 LEU HD21 . 19544 1 56 . 1 1 4 4 LEU HD22 H 1 0.106 0.012 . 2 . . . A 4 LEU HD22 . 19544 1 57 . 1 1 4 4 LEU HD23 H 1 0.106 0.012 . 2 . . . A 4 LEU HD23 . 19544 1 58 . 1 1 4 4 LEU CA C 13 52.454 0.060 . 1 . . . A 4 LEU CA . 19544 1 59 . 1 1 4 4 LEU CB C 13 46.599 0.047 . 1 . . . A 4 LEU CB . 19544 1 60 . 1 1 4 4 LEU CG C 13 26.469 0.000 . 1 . . . A 4 LEU CG . 19544 1 61 . 1 1 4 4 LEU CD1 C 13 25.924 0.037 . 2 . . . A 4 LEU CD1 . 19544 1 62 . 1 1 4 4 LEU CD2 C 13 22.941 0.021 . 2 . . . A 4 LEU CD2 . 19544 1 63 . 1 1 4 4 LEU N N 15 123.187 0.000 . 1 . . . A 4 LEU N . 19544 1 64 . 1 1 5 5 THR H H 1 9.416 0.013 . 1 . . . A 5 THR H . 19544 1 65 . 1 1 5 5 THR HA H 1 5.507 0.005 . 1 . . . A 5 THR HA . 19544 1 66 . 1 1 5 5 THR HB H 1 4.097 0.013 . 1 . . . A 5 THR HB . 19544 1 67 . 1 1 5 5 THR HG21 H 1 1.097 0.054 . 1 . . . A 5 THR HG21 . 19544 1 68 . 1 1 5 5 THR HG22 H 1 1.097 0.054 . 1 . . . A 5 THR HG22 . 19544 1 69 . 1 1 5 5 THR HG23 H 1 1.097 0.054 . 1 . . . A 5 THR HG23 . 19544 1 70 . 1 1 5 5 THR CA C 13 60.401 0.000 . 1 . . . A 5 THR CA . 19544 1 71 . 1 1 5 5 THR CB C 13 69.984 0.033 . 1 . . . A 5 THR CB . 19544 1 72 . 1 1 5 5 THR CG2 C 13 22.336 0.038 . 1 . . . A 5 THR CG2 . 19544 1 73 . 1 1 5 5 THR N N 15 116.018 0.052 . 1 . . . A 5 THR N . 19544 1 74 . 1 1 6 6 ARG H H 1 9.336 0.045 . 1 . . . A 6 ARG H . 19544 1 75 . 1 1 6 6 ARG HA H 1 5.013 0.002 . 1 . . . A 6 ARG HA . 19544 1 76 . 1 1 6 6 ARG HB2 H 1 1.911 0.006 . 2 . . . A 6 ARG HB2 . 19544 1 77 . 1 1 6 6 ARG HB3 H 1 1.662 0.016 . 2 . . . A 6 ARG HB3 . 19544 1 78 . 1 1 6 6 ARG HD2 H 1 2.986 0.027 . 2 . . . A 6 ARG HD2 . 19544 1 79 . 1 1 6 6 ARG HD3 H 1 2.940 0.000 . 2 . . . A 6 ARG HD3 . 19544 1 80 . 1 1 6 6 ARG HE H 1 8.812 0.017 . 1 . . . A 6 ARG HE . 19544 1 81 . 1 1 6 6 ARG CA C 13 55.534 0.037 . 1 . . . A 6 ARG CA . 19544 1 82 . 1 1 6 6 ARG CB C 13 38.783 0.031 . 1 . . . A 6 ARG CB . 19544 1 83 . 1 1 6 6 ARG CD C 13 45.449 0.010 . 1 . . . A 6 ARG CD . 19544 1 84 . 1 1 6 6 ARG N N 15 123.849 0.036 . 1 . . . A 6 ARG N . 19544 1 85 . 1 1 6 6 ARG NE N 15 82.897 0.066 . 1 . . . A 6 ARG NE . 19544 1 86 . 1 1 7 7 LYS H H 1 9.381 0.007 . 1 . . . A 7 LYS H . 19544 1 87 . 1 1 7 7 LYS HA H 1 5.099 0.006 . 1 . . . A 7 LYS HA . 19544 1 88 . 1 1 7 7 LYS HB2 H 1 1.903 0.000 . 2 . . . A 7 LYS HB2 . 19544 1 89 . 1 1 7 7 LYS HB3 H 1 1.420 0.010 . 2 . . . A 7 LYS HB3 . 19544 1 90 . 1 1 7 7 LYS HG2 H 1 1.420 0.003 . 2 . . . A 7 LYS HG2 . 19544 1 91 . 1 1 7 7 LYS HG3 H 1 1.360 0.018 . 2 . . . A 7 LYS HG3 . 19544 1 92 . 1 1 7 7 LYS HD2 H 1 1.686 0.001 . 2 . . . A 7 LYS HD2 . 19544 1 93 . 1 1 7 7 LYS HD3 H 1 1.612 0.003 . 2 . . . A 7 LYS HD3 . 19544 1 94 . 1 1 7 7 LYS HE2 H 1 2.940 0.006 . 2 . . . A 7 LYS HE2 . 19544 1 95 . 1 1 7 7 LYS HE3 H 1 2.940 0.006 . 2 . . . A 7 LYS HE3 . 19544 1 96 . 1 1 7 7 LYS CA C 13 54.070 0.000 . 1 . . . A 7 LYS CA . 19544 1 97 . 1 1 7 7 LYS CB C 13 34.344 0.070 . 1 . . . A 7 LYS CB . 19544 1 98 . 1 1 7 7 LYS CG C 13 25.518 0.044 . 1 . . . A 7 LYS CG . 19544 1 99 . 1 1 7 7 LYS CD C 13 29.344 0.050 . 1 . . . A 7 LYS CD . 19544 1 100 . 1 1 7 7 LYS CE C 13 42.057 0.065 . 1 . . . A 7 LYS CE . 19544 1 101 . 1 1 7 7 LYS N N 15 123.068 0.034 . 1 . . . A 7 LYS N . 19544 1 102 . 1 1 8 8 VAL H H 1 7.682 0.010 . 1 . . . A 8 VAL H . 19544 1 103 . 1 1 8 8 VAL HA H 1 3.304 0.002 . 1 . . . A 8 VAL HA . 19544 1 104 . 1 1 8 8 VAL HB H 1 1.938 0.005 . 1 . . . A 8 VAL HB . 19544 1 105 . 1 1 8 8 VAL HG11 H 1 1.007 0.008 . 2 . . . A 8 VAL HG11 . 19544 1 106 . 1 1 8 8 VAL HG12 H 1 1.007 0.008 . 2 . . . A 8 VAL HG12 . 19544 1 107 . 1 1 8 8 VAL HG13 H 1 1.007 0.008 . 2 . . . A 8 VAL HG13 . 19544 1 108 . 1 1 8 8 VAL HG21 H 1 0.859 0.000 . 2 . . . A 8 VAL HG21 . 19544 1 109 . 1 1 8 8 VAL HG22 H 1 0.859 0.000 . 2 . . . A 8 VAL HG22 . 19544 1 110 . 1 1 8 8 VAL HG23 H 1 0.859 0.000 . 2 . . . A 8 VAL HG23 . 19544 1 111 . 1 1 8 8 VAL CA C 13 65.828 0.000 . 1 . . . A 8 VAL CA . 19544 1 112 . 1 1 8 8 VAL CB C 13 31.572 0.023 . 1 . . . A 8 VAL CB . 19544 1 113 . 1 1 8 8 VAL CG1 C 13 23.162 0.000 . 2 . . . A 8 VAL CG1 . 19544 1 114 . 1 1 8 8 VAL CG2 C 13 21.200 0.000 . 2 . . . A 8 VAL CG2 . 19544 1 115 . 1 1 8 8 VAL N N 15 118.072 0.041 . 1 . . . A 8 VAL N . 19544 1 116 . 1 1 9 9 GLY H H 1 9.252 0.004 . 1 . . . A 9 GLY H . 19544 1 117 . 1 1 9 9 GLY HA2 H 1 3.609 0.000 . 2 . . . A 9 GLY HA2 . 19544 1 118 . 1 1 9 9 GLY HA3 H 1 4.387 0.000 . 2 . . . A 9 GLY HA3 . 19544 1 119 . 1 1 9 9 GLY CA C 13 44.535 0.088 . 1 . . . A 9 GLY CA . 19544 1 120 . 1 1 9 9 GLY N N 15 115.704 0.000 . 1 . . . A 9 GLY N . 19544 1 121 . 1 1 10 10 GLU H H 1 8.332 0.004 . 1 . . . A 10 GLU H . 19544 1 122 . 1 1 10 10 GLU HA H 1 4.887 0.000 . 1 . . . A 10 GLU HA . 19544 1 123 . 1 1 10 10 GLU HB2 H 1 2.562 0.018 . 2 . . . A 10 GLU HB2 . 19544 1 124 . 1 1 10 10 GLU HG2 H 1 2.156 0.000 . 2 . . . A 10 GLU HG2 . 19544 1 125 . 1 1 10 10 GLU HG3 H 1 2.156 0.000 . 2 . . . A 10 GLU HG3 . 19544 1 126 . 1 1 10 10 GLU CA C 13 55.758 0.000 . 1 . . . A 10 GLU CA . 19544 1 127 . 1 1 10 10 GLU CB C 13 32.851 0.059 . 1 . . . A 10 GLU CB . 19544 1 128 . 1 1 10 10 GLU CG C 13 37.463 0.000 . 1 . . . A 10 GLU CG . 19544 1 129 . 1 1 10 10 GLU N N 15 119.256 0.000 . 1 . . . A 10 GLU N . 19544 1 130 . 1 1 11 11 SER H H 1 8.661 0.011 . 1 . . . A 11 SER H . 19544 1 131 . 1 1 11 11 SER HA H 1 5.879 0.013 . 1 . . . A 11 SER HA . 19544 1 132 . 1 1 11 11 SER HB2 H 1 3.607 0.000 . 2 . . . A 11 SER HB2 . 19544 1 133 . 1 1 11 11 SER HB3 H 1 3.493 0.000 . 2 . . . A 11 SER HB3 . 19544 1 134 . 1 1 11 11 SER CA C 13 57.963 0.000 . 1 . . . A 11 SER CA . 19544 1 135 . 1 1 11 11 SER CB C 13 66.878 0.001 . 1 . . . A 11 SER CB . 19544 1 136 . 1 1 11 11 SER N N 15 112.505 0.027 . 1 . . . A 11 SER N . 19544 1 137 . 1 1 12 12 ILE H H 1 9.320 0.021 . 1 . . . A 12 ILE H . 19544 1 138 . 1 1 12 12 ILE HA H 1 4.370 0.000 . 1 . . . A 12 ILE HA . 19544 1 139 . 1 1 12 12 ILE HB H 1 1.275 0.000 . 1 . . . A 12 ILE HB . 19544 1 140 . 1 1 12 12 ILE HG12 H 1 1.337 0.000 . 2 . . . A 12 ILE HG12 . 19544 1 141 . 1 1 12 12 ILE HG13 H 1 0.534 0.008 . 2 . . . A 12 ILE HG13 . 19544 1 142 . 1 1 12 12 ILE HG21 H 1 0.421 0.000 . 1 . . . A 12 ILE HG21 . 19544 1 143 . 1 1 12 12 ILE HG22 H 1 0.421 0.000 . 1 . . . A 12 ILE HG22 . 19544 1 144 . 1 1 12 12 ILE HG23 H 1 0.421 0.000 . 1 . . . A 12 ILE HG23 . 19544 1 145 . 1 1 12 12 ILE HD11 H 1 0.534 0.003 . 1 . . . A 12 ILE HD11 . 19544 1 146 . 1 1 12 12 ILE HD12 H 1 0.534 0.003 . 1 . . . A 12 ILE HD12 . 19544 1 147 . 1 1 12 12 ILE HD13 H 1 0.534 0.003 . 1 . . . A 12 ILE HD13 . 19544 1 148 . 1 1 12 12 ILE CA C 13 59.939 0.000 . 1 . . . A 12 ILE CA . 19544 1 149 . 1 1 12 12 ILE CB C 13 42.722 0.000 . 1 . . . A 12 ILE CB . 19544 1 150 . 1 1 12 12 ILE CG1 C 13 28.392 0.014 . 1 . . . A 12 ILE CG1 . 19544 1 151 . 1 1 12 12 ILE CG2 C 13 17.104 0.000 . 1 . . . A 12 ILE CG2 . 19544 1 152 . 1 1 12 12 ILE CD1 C 13 14.885 0.000 . 1 . . . A 12 ILE CD1 . 19544 1 153 . 1 1 12 12 ILE N N 15 124.635 0.000 . 1 . . . A 12 ILE N . 19544 1 154 . 1 1 13 13 ASN H H 1 9.349 0.000 . 1 . . . A 13 ASN H . 19544 1 155 . 1 1 13 13 ASN HA H 1 4.989 0.002 . 1 . . . A 13 ASN HA . 19544 1 156 . 1 1 13 13 ASN HB2 H 1 2.207 0.001 . 2 . . . A 13 ASN HB2 . 19544 1 157 . 1 1 13 13 ASN HB3 H 1 1.885 0.004 . 2 . . . A 13 ASN HB3 . 19544 1 158 . 1 1 13 13 ASN HD21 H 1 5.783 0.000 . 2 . . . A 13 ASN HD21 . 19544 1 159 . 1 1 13 13 ASN HD22 H 1 6.427 0.000 . 2 . . . A 13 ASN HD22 . 19544 1 160 . 1 1 13 13 ASN CA C 13 53.427 0.000 . 1 . . . A 13 ASN CA . 19544 1 161 . 1 1 13 13 ASN CB C 13 41.434 0.009 . 1 . . . A 13 ASN CB . 19544 1 162 . 1 1 13 13 ASN N N 15 126.113 0.000 . 1 . . . A 13 ASN N . 19544 1 163 . 1 1 13 13 ASN ND2 N 15 107.279 0.001 . 1 . . . A 13 ASN ND2 . 19544 1 164 . 1 1 14 14 ILE H H 1 8.417 0.000 . 1 . . . A 14 ILE H . 19544 1 165 . 1 1 14 14 ILE HA H 1 4.459 0.000 . 1 . . . A 14 ILE HA . 19544 1 166 . 1 1 14 14 ILE HB H 1 1.447 0.005 . 1 . . . A 14 ILE HB . 19544 1 167 . 1 1 14 14 ILE HG12 H 1 1.254 0.000 . 2 . . . A 14 ILE HG12 . 19544 1 168 . 1 1 14 14 ILE HG13 H 1 0.783 0.000 . 2 . . . A 14 ILE HG13 . 19544 1 169 . 1 1 14 14 ILE HG21 H 1 0.609 0.000 . 1 . . . A 14 ILE HG21 . 19544 1 170 . 1 1 14 14 ILE HG22 H 1 0.609 0.000 . 1 . . . A 14 ILE HG22 . 19544 1 171 . 1 1 14 14 ILE HG23 H 1 0.609 0.000 . 1 . . . A 14 ILE HG23 . 19544 1 172 . 1 1 14 14 ILE HD11 H 1 0.526 0.000 . 1 . . . A 14 ILE HD11 . 19544 1 173 . 1 1 14 14 ILE HD12 H 1 0.526 0.000 . 1 . . . A 14 ILE HD12 . 19544 1 174 . 1 1 14 14 ILE HD13 H 1 0.526 0.000 . 1 . . . A 14 ILE HD13 . 19544 1 175 . 1 1 14 14 ILE CA C 13 60.566 0.000 . 1 . . . A 14 ILE CA . 19544 1 176 . 1 1 14 14 ILE CB C 13 38.528 0.014 . 1 . . . A 14 ILE CB . 19544 1 177 . 1 1 14 14 ILE CG1 C 13 27.520 0.025 . 1 . . . A 14 ILE CG1 . 19544 1 178 . 1 1 14 14 ILE CG2 C 13 17.079 0.000 . 1 . . . A 14 ILE CG2 . 19544 1 179 . 1 1 14 14 ILE CD1 C 13 14.129 0.000 . 1 . . . A 14 ILE CD1 . 19544 1 180 . 1 1 14 14 ILE N N 15 123.849 0.000 . 1 . . . A 14 ILE N . 19544 1 181 . 1 1 15 15 GLY H H 1 9.100 0.020 . 1 . . . A 15 GLY H . 19544 1 182 . 1 1 15 15 GLY HA2 H 1 4.041 0.000 . 2 . . . A 15 GLY HA2 . 19544 1 183 . 1 1 15 15 GLY HA3 H 1 3.921 0.000 . 2 . . . A 15 GLY HA3 . 19544 1 184 . 1 1 15 15 GLY CA C 13 45.936 0.003 . 1 . . . A 15 GLY CA . 19544 1 185 . 1 1 15 15 GLY N N 15 115.401 0.000 . 1 . . . A 15 GLY N . 19544 1 186 . 1 1 16 16 ASP H H 1 8.754 0.000 . 1 . . . A 16 ASP H . 19544 1 187 . 1 1 16 16 ASP HA H 1 4.936 0.002 . 1 . . . A 16 ASP HA . 19544 1 188 . 1 1 16 16 ASP HB2 H 1 2.833 0.000 . 2 . . . A 16 ASP HB2 . 19544 1 189 . 1 1 16 16 ASP HB3 H 1 2.503 0.000 . 2 . . . A 16 ASP HB3 . 19544 1 190 . 1 1 16 16 ASP CA C 13 55.199 0.000 . 1 . . . A 16 ASP CA . 19544 1 191 . 1 1 16 16 ASP CB C 13 42.386 0.019 . 1 . . . A 16 ASP CB . 19544 1 192 . 1 1 16 16 ASP N N 15 120.669 0.000 . 1 . . . A 16 ASP N . 19544 1 193 . 1 1 17 17 ASP H H 1 8.143 0.000 . 1 . . . A 17 ASP H . 19544 1 194 . 1 1 17 17 ASP HA H 1 4.737 0.000 . 1 . . . A 17 ASP HA . 19544 1 195 . 1 1 17 17 ASP HB2 H 1 2.689 0.000 . 2 . . . A 17 ASP HB2 . 19544 1 196 . 1 1 17 17 ASP HB3 H 1 2.541 0.000 . 2 . . . A 17 ASP HB3 . 19544 1 197 . 1 1 17 17 ASP CA C 13 54.077 0.000 . 1 . . . A 17 ASP CA . 19544 1 198 . 1 1 17 17 ASP CB C 13 42.504 0.024 . 1 . . . A 17 ASP CB . 19544 1 199 . 1 1 17 17 ASP N N 15 115.502 0.000 . 1 . . . A 17 ASP N . 19544 1 200 . 1 1 18 18 ILE H H 1 7.177 0.003 . 1 . . . A 18 ILE H . 19544 1 201 . 1 1 18 18 ILE HA H 1 5.221 0.000 . 1 . . . A 18 ILE HA . 19544 1 202 . 1 1 18 18 ILE HB H 1 2.190 0.000 . 1 . . . A 18 ILE HB . 19544 1 203 . 1 1 18 18 ILE HG12 H 1 1.761 0.000 . 2 . . . A 18 ILE HG12 . 19544 1 204 . 1 1 18 18 ILE HG21 H 1 0.608 0.000 . 1 . . . A 18 ILE HG21 . 19544 1 205 . 1 1 18 18 ILE HG22 H 1 0.608 0.000 . 1 . . . A 18 ILE HG22 . 19544 1 206 . 1 1 18 18 ILE HG23 H 1 0.608 0.000 . 1 . . . A 18 ILE HG23 . 19544 1 207 . 1 1 18 18 ILE HD11 H 1 0.704 0.000 . 1 . . . A 18 ILE HD11 . 19544 1 208 . 1 1 18 18 ILE HD12 H 1 0.704 0.000 . 1 . . . A 18 ILE HD12 . 19544 1 209 . 1 1 18 18 ILE HD13 H 1 0.704 0.000 . 1 . . . A 18 ILE HD13 . 19544 1 210 . 1 1 18 18 ILE CA C 13 60.005 0.000 . 1 . . . A 18 ILE CA . 19544 1 211 . 1 1 18 18 ILE CB C 13 39.650 0.000 . 1 . . . A 18 ILE CB . 19544 1 212 . 1 1 18 18 ILE CG1 C 13 27.506 0.000 . 1 . . . A 18 ILE CG1 . 19544 1 213 . 1 1 18 18 ILE CG2 C 13 17.029 0.000 . 1 . . . A 18 ILE CG2 . 19544 1 214 . 1 1 18 18 ILE CD1 C 13 14.042 0.000 . 1 . . . A 18 ILE CD1 . 19544 1 215 . 1 1 18 18 ILE N N 15 118.662 0.000 . 1 . . . A 18 ILE N . 19544 1 216 . 1 1 19 19 THR H H 1 8.953 0.006 . 1 . . . A 19 THR H . 19544 1 217 . 1 1 19 19 THR HA H 1 5.119 0.000 . 1 . . . A 19 THR HA . 19544 1 218 . 1 1 19 19 THR HB H 1 3.816 0.015 . 1 . . . A 19 THR HB . 19544 1 219 . 1 1 19 19 THR HG21 H 1 1.000 0.012 . 1 . . . A 19 THR HG21 . 19544 1 220 . 1 1 19 19 THR HG22 H 1 1.000 0.012 . 1 . . . A 19 THR HG22 . 19544 1 221 . 1 1 19 19 THR HG23 H 1 1.000 0.012 . 1 . . . A 19 THR HG23 . 19544 1 222 . 1 1 19 19 THR CA C 13 60.918 0.000 . 1 . . . A 19 THR CA . 19544 1 223 . 1 1 19 19 THR CB C 13 71.715 0.000 . 1 . . . A 19 THR CB . 19544 1 224 . 1 1 19 19 THR CG2 C 13 21.534 0.000 . 1 . . . A 19 THR CG2 . 19544 1 225 . 1 1 19 19 THR N N 15 122.983 0.000 . 1 . . . A 19 THR N . 19544 1 226 . 1 1 20 20 ILE H H 1 8.934 0.000 . 1 . . . A 20 ILE H . 19544 1 227 . 1 1 20 20 ILE HA H 1 4.925 0.000 . 1 . . . A 20 ILE HA . 19544 1 228 . 1 1 20 20 ILE HB H 1 1.593 0.000 . 1 . . . A 20 ILE HB . 19544 1 229 . 1 1 20 20 ILE HG12 H 1 1.227 0.000 . 2 . . . A 20 ILE HG12 . 19544 1 230 . 1 1 20 20 ILE HG13 H 1 0.925 0.000 . 2 . . . A 20 ILE HG13 . 19544 1 231 . 1 1 20 20 ILE HG21 H 1 0.569 0.000 . 1 . . . A 20 ILE HG21 . 19544 1 232 . 1 1 20 20 ILE HG22 H 1 0.569 0.000 . 1 . . . A 20 ILE HG22 . 19544 1 233 . 1 1 20 20 ILE HG23 H 1 0.569 0.000 . 1 . . . A 20 ILE HG23 . 19544 1 234 . 1 1 20 20 ILE HD11 H 1 0.522 0.000 . 1 . . . A 20 ILE HD11 . 19544 1 235 . 1 1 20 20 ILE HD12 H 1 0.522 0.000 . 1 . . . A 20 ILE HD12 . 19544 1 236 . 1 1 20 20 ILE HD13 H 1 0.522 0.000 . 1 . . . A 20 ILE HD13 . 19544 1 237 . 1 1 20 20 ILE CA C 13 58.854 0.000 . 1 . . . A 20 ILE CA . 19544 1 238 . 1 1 20 20 ILE CB C 13 40.376 0.000 . 1 . . . A 20 ILE CB . 19544 1 239 . 1 1 20 20 ILE CG1 C 13 27.383 0.022 . 1 . . . A 20 ILE CG1 . 19544 1 240 . 1 1 20 20 ILE CG2 C 13 17.361 0.000 . 1 . . . A 20 ILE CG2 . 19544 1 241 . 1 1 20 20 ILE CD1 C 13 14.251 0.000 . 1 . . . A 20 ILE CD1 . 19544 1 242 . 1 1 20 20 ILE N N 15 123.406 0.000 . 1 . . . A 20 ILE N . 19544 1 243 . 1 1 21 21 THR H H 1 9.413 0.035 . 1 . . . A 21 THR H . 19544 1 244 . 1 1 21 21 THR HA H 1 4.843 0.000 . 1 . . . A 21 THR HA . 19544 1 245 . 1 1 21 21 THR HB H 1 3.357 0.000 . 1 . . . A 21 THR HB . 19544 1 246 . 1 1 21 21 THR HG21 H 1 0.870 0.000 . 1 . . . A 21 THR HG21 . 19544 1 247 . 1 1 21 21 THR HG22 H 1 0.870 0.000 . 1 . . . A 21 THR HG22 . 19544 1 248 . 1 1 21 21 THR HG23 H 1 0.870 0.000 . 1 . . . A 21 THR HG23 . 19544 1 249 . 1 1 21 21 THR CA C 13 61.530 0.000 . 1 . . . A 21 THR CA . 19544 1 250 . 1 1 21 21 THR CB C 13 71.954 0.000 . 1 . . . A 21 THR CB . 19544 1 251 . 1 1 21 21 THR CG2 C 13 21.184 0.000 . 1 . . . A 21 THR CG2 . 19544 1 252 . 1 1 21 21 THR N N 15 123.706 0.000 . 1 . . . A 21 THR N . 19544 1 253 . 1 1 22 22 ILE H H 1 8.081 0.003 . 1 . . . A 22 ILE H . 19544 1 254 . 1 1 22 22 ILE HA H 1 4.110 0.000 . 1 . . . A 22 ILE HA . 19544 1 255 . 1 1 22 22 ILE HB H 1 2.470 0.001 . 1 . . . A 22 ILE HB . 19544 1 256 . 1 1 22 22 ILE HG12 H 1 1.550 0.000 . 2 . . . A 22 ILE HG12 . 19544 1 257 . 1 1 22 22 ILE HG13 H 1 1.009 0.000 . 2 . . . A 22 ILE HG13 . 19544 1 258 . 1 1 22 22 ILE HG21 H 1 0.698 0.000 . 1 . . . A 22 ILE HG21 . 19544 1 259 . 1 1 22 22 ILE HG22 H 1 0.698 0.000 . 1 . . . A 22 ILE HG22 . 19544 1 260 . 1 1 22 22 ILE HG23 H 1 0.698 0.000 . 1 . . . A 22 ILE HG23 . 19544 1 261 . 1 1 22 22 ILE HD11 H 1 0.476 0.000 . 1 . . . A 22 ILE HD11 . 19544 1 262 . 1 1 22 22 ILE HD12 H 1 0.476 0.000 . 1 . . . A 22 ILE HD12 . 19544 1 263 . 1 1 22 22 ILE HD13 H 1 0.476 0.000 . 1 . . . A 22 ILE HD13 . 19544 1 264 . 1 1 22 22 ILE CA C 13 59.087 0.000 . 1 . . . A 22 ILE CA . 19544 1 265 . 1 1 22 22 ILE CB C 13 33.926 0.003 . 1 . . . A 22 ILE CB . 19544 1 266 . 1 1 22 22 ILE CG1 C 13 27.004 0.011 . 1 . . . A 22 ILE CG1 . 19544 1 267 . 1 1 22 22 ILE CG2 C 13 18.308 0.000 . 1 . . . A 22 ILE CG2 . 19544 1 268 . 1 1 22 22 ILE CD1 C 13 8.935 0.000 . 1 . . . A 22 ILE CD1 . 19544 1 269 . 1 1 22 22 ILE N N 15 125.648 0.000 . 1 . . . A 22 ILE N . 19544 1 270 . 1 1 23 23 LEU H H 1 8.819 0.006 . 1 . . . A 23 LEU H . 19544 1 271 . 1 1 23 23 LEU HA H 1 4.529 0.000 . 1 . . . A 23 LEU HA . 19544 1 272 . 1 1 23 23 LEU HB2 H 1 1.473 0.005 . 2 . . . A 23 LEU HB2 . 19544 1 273 . 1 1 23 23 LEU HB3 H 1 1.274 0.012 . 2 . . . A 23 LEU HB3 . 19544 1 274 . 1 1 23 23 LEU HG H 1 1.481 0.010 . 1 . . . A 23 LEU HG . 19544 1 275 . 1 1 23 23 LEU HD11 H 1 0.697 0.009 . 2 . . . A 23 LEU HD11 . 19544 1 276 . 1 1 23 23 LEU HD12 H 1 0.697 0.009 . 2 . . . A 23 LEU HD12 . 19544 1 277 . 1 1 23 23 LEU HD13 H 1 0.697 0.009 . 2 . . . A 23 LEU HD13 . 19544 1 278 . 1 1 23 23 LEU HD21 H 1 0.675 0.017 . 2 . . . A 23 LEU HD21 . 19544 1 279 . 1 1 23 23 LEU HD22 H 1 0.675 0.017 . 2 . . . A 23 LEU HD22 . 19544 1 280 . 1 1 23 23 LEU HD23 H 1 0.675 0.017 . 2 . . . A 23 LEU HD23 . 19544 1 281 . 1 1 23 23 LEU CA C 13 55.574 0.000 . 1 . . . A 23 LEU CA . 19544 1 282 . 1 1 23 23 LEU CB C 13 42.685 0.041 . 1 . . . A 23 LEU CB . 19544 1 283 . 1 1 23 23 LEU CG C 13 26.972 0.125 . 1 . . . A 23 LEU CG . 19544 1 284 . 1 1 23 23 LEU CD1 C 13 26.313 0.086 . 2 . . . A 23 LEU CD1 . 19544 1 285 . 1 1 23 23 LEU CD2 C 13 22.060 0.128 . 2 . . . A 23 LEU CD2 . 19544 1 286 . 1 1 23 23 LEU N N 15 129.374 0.000 . 1 . . . A 23 LEU N . 19544 1 287 . 1 1 24 24 GLY H H 1 7.537 0.001 . 1 . . . A 24 GLY H . 19544 1 288 . 1 1 24 24 GLY HA2 H 1 4.136 0.000 . 2 . . . A 24 GLY HA2 . 19544 1 289 . 1 1 24 24 GLY HA3 H 1 3.986 0.000 . 2 . . . A 24 GLY HA3 . 19544 1 290 . 1 1 24 24 GLY CA C 13 45.905 0.033 . 1 . . . A 24 GLY CA . 19544 1 291 . 1 1 24 24 GLY N N 15 104.611 0.000 . 1 . . . A 24 GLY N . 19544 1 292 . 1 1 25 25 VAL H H 1 8.454 0.000 . 1 . . . A 25 VAL H . 19544 1 293 . 1 1 25 25 VAL HA H 1 4.654 0.000 . 1 . . . A 25 VAL HA . 19544 1 294 . 1 1 25 25 VAL HB H 1 1.778 0.000 . 1 . . . A 25 VAL HB . 19544 1 295 . 1 1 25 25 VAL HG11 H 1 0.684 0.000 . 2 . . . A 25 VAL HG11 . 19544 1 296 . 1 1 25 25 VAL HG12 H 1 0.684 0.000 . 2 . . . A 25 VAL HG12 . 19544 1 297 . 1 1 25 25 VAL HG13 H 1 0.684 0.000 . 2 . . . A 25 VAL HG13 . 19544 1 298 . 1 1 25 25 VAL HG21 H 1 0.784 0.000 . 2 . . . A 25 VAL HG21 . 19544 1 299 . 1 1 25 25 VAL HG22 H 1 0.784 0.000 . 2 . . . A 25 VAL HG22 . 19544 1 300 . 1 1 25 25 VAL HG23 H 1 0.784 0.000 . 2 . . . A 25 VAL HG23 . 19544 1 301 . 1 1 25 25 VAL CA C 13 61.477 0.000 . 1 . . . A 25 VAL CA . 19544 1 302 . 1 1 25 25 VAL CB C 13 35.740 0.000 . 1 . . . A 25 VAL CB . 19544 1 303 . 1 1 25 25 VAL CG1 C 13 21.657 0.000 . 2 . . . A 25 VAL CG1 . 19544 1 304 . 1 1 25 25 VAL CG2 C 13 21.977 0.000 . 2 . . . A 25 VAL CG2 . 19544 1 305 . 1 1 25 25 VAL N N 15 120.900 0.000 . 1 . . . A 25 VAL N . 19544 1 306 . 1 1 26 26 SER H H 1 8.571 0.001 . 1 . . . A 26 SER H . 19544 1 307 . 1 1 26 26 SER HA H 1 4.676 0.000 . 1 . . . A 26 SER HA . 19544 1 308 . 1 1 26 26 SER HB2 H 1 3.695 0.002 . 2 . . . A 26 SER HB2 . 19544 1 309 . 1 1 26 26 SER HB3 H 1 3.672 0.008 . 2 . . . A 26 SER HB3 . 19544 1 310 . 1 1 26 26 SER CA C 13 56.360 0.000 . 1 . . . A 26 SER CA . 19544 1 311 . 1 1 26 26 SER CB C 13 63.802 0.127 . 1 . . . A 26 SER CB . 19544 1 312 . 1 1 26 26 SER N N 15 121.619 0.000 . 1 . . . A 26 SER N . 19544 1 313 . 1 1 27 27 GLY H H 1 9.023 0.000 . 1 . . . A 27 GLY H . 19544 1 314 . 1 1 27 27 GLY HA2 H 1 3.684 0.005 . 2 . . . A 27 GLY HA2 . 19544 1 315 . 1 1 27 27 GLY HA3 H 1 4.094 0.000 . 2 . . . A 27 GLY HA3 . 19544 1 316 . 1 1 27 27 GLY CA C 13 47.415 0.003 . 1 . . . A 27 GLY CA . 19544 1 317 . 1 1 27 27 GLY N N 15 118.284 0.000 . 1 . . . A 27 GLY N . 19544 1 318 . 1 1 28 28 GLN H H 1 8.776 0.005 . 1 . . . A 28 GLN H . 19544 1 319 . 1 1 28 28 GLN HA H 1 4.290 0.000 . 1 . . . A 28 GLN HA . 19544 1 320 . 1 1 28 28 GLN HB2 H 1 2.357 0.004 . 2 . . . A 28 GLN HB2 . 19544 1 321 . 1 1 28 28 GLN HB3 H 1 1.949 0.002 . 2 . . . A 28 GLN HB3 . 19544 1 322 . 1 1 28 28 GLN HG2 H 1 2.355 0.014 . 2 . . . A 28 GLN HG2 . 19544 1 323 . 1 1 28 28 GLN HG3 H 1 2.355 0.014 . 2 . . . A 28 GLN HG3 . 19544 1 324 . 1 1 28 28 GLN HE21 H 1 6.864 0.004 . 2 . . . A 28 GLN HE21 . 19544 1 325 . 1 1 28 28 GLN HE22 H 1 7.669 0.000 . 2 . . . A 28 GLN HE22 . 19544 1 326 . 1 1 28 28 GLN CA C 13 55.212 0.000 . 1 . . . A 28 GLN CA . 19544 1 327 . 1 1 28 28 GLN CB C 13 29.553 0.116 . 1 . . . A 28 GLN CB . 19544 1 328 . 1 1 28 28 GLN CG C 13 34.238 0.069 . 1 . . . A 28 GLN CG . 19544 1 329 . 1 1 28 28 GLN N N 15 124.398 0.069 . 1 . . . A 28 GLN N . 19544 1 330 . 1 1 28 28 GLN NE2 N 15 113.270 0.001 . 1 . . . A 28 GLN NE2 . 19544 1 331 . 1 1 29 29 GLN H H 1 8.289 0.115 . 1 . . . A 29 GLN H . 19544 1 332 . 1 1 29 29 GLN HA H 1 4.630 0.004 . 1 . . . A 29 GLN HA . 19544 1 333 . 1 1 29 29 GLN HB2 H 1 2.071 0.000 . 2 . . . A 29 GLN HB2 . 19544 1 334 . 1 1 29 29 GLN HB3 H 1 2.034 0.000 . 2 . . . A 29 GLN HB3 . 19544 1 335 . 1 1 29 29 GLN HG2 H 1 2.341 0.000 . 2 . . . A 29 GLN HG2 . 19544 1 336 . 1 1 29 29 GLN HG3 H 1 2.111 0.014 . 2 . . . A 29 GLN HG3 . 19544 1 337 . 1 1 29 29 GLN HE21 H 1 6.594 0.005 . 2 . . . A 29 GLN HE21 . 19544 1 338 . 1 1 29 29 GLN HE22 H 1 7.429 0.012 . 2 . . . A 29 GLN HE22 . 19544 1 339 . 1 1 29 29 GLN CA C 13 55.294 0.000 . 1 . . . A 29 GLN CA . 19544 1 340 . 1 1 29 29 GLN CB C 13 31.682 0.004 . 1 . . . A 29 GLN CB . 19544 1 341 . 1 1 29 29 GLN CG C 13 34.629 0.019 . 1 . . . A 29 GLN CG . 19544 1 342 . 1 1 29 29 GLN N N 15 117.501 0.022 . 1 . . . A 29 GLN N . 19544 1 343 . 1 1 29 29 GLN NE2 N 15 111.073 0.002 . 1 . . . A 29 GLN NE2 . 19544 1 344 . 1 1 30 30 VAL H H 1 9.174 0.054 . 1 . . . A 30 VAL H . 19544 1 345 . 1 1 30 30 VAL HA H 1 4.578 0.000 . 1 . . . A 30 VAL HA . 19544 1 346 . 1 1 30 30 VAL HB H 1 1.974 0.003 . 1 . . . A 30 VAL HB . 19544 1 347 . 1 1 30 30 VAL HG11 H 1 0.918 0.000 . 2 . . . A 30 VAL HG11 . 19544 1 348 . 1 1 30 30 VAL HG12 H 1 0.918 0.000 . 2 . . . A 30 VAL HG12 . 19544 1 349 . 1 1 30 30 VAL HG13 H 1 0.918 0.000 . 2 . . . A 30 VAL HG13 . 19544 1 350 . 1 1 30 30 VAL HG21 H 1 0.847 0.000 . 2 . . . A 30 VAL HG21 . 19544 1 351 . 1 1 30 30 VAL HG22 H 1 0.847 0.000 . 2 . . . A 30 VAL HG22 . 19544 1 352 . 1 1 30 30 VAL HG23 H 1 0.847 0.000 . 2 . . . A 30 VAL HG23 . 19544 1 353 . 1 1 30 30 VAL CA C 13 60.464 0.000 . 1 . . . A 30 VAL CA . 19544 1 354 . 1 1 30 30 VAL CB C 13 34.413 0.016 . 1 . . . A 30 VAL CB . 19544 1 355 . 1 1 30 30 VAL CG1 C 13 22.625 0.000 . 2 . . . A 30 VAL CG1 . 19544 1 356 . 1 1 30 30 VAL CG2 C 13 22.711 0.000 . 2 . . . A 30 VAL CG2 . 19544 1 357 . 1 1 30 30 VAL N N 15 124.451 0.041 . 1 . . . A 30 VAL N . 19544 1 358 . 1 1 31 31 ARG H H 1 8.765 0.009 . 1 . . . A 31 ARG H . 19544 1 359 . 1 1 31 31 ARG HA H 1 4.637 0.000 . 1 . . . A 31 ARG HA . 19544 1 360 . 1 1 31 31 ARG HB2 H 1 1.547 0.011 . 2 . . . A 31 ARG HB2 . 19544 1 361 . 1 1 31 31 ARG HB3 H 1 1.532 0.001 . 2 . . . A 31 ARG HB3 . 19544 1 362 . 1 1 31 31 ARG HG2 H 1 1.329 0.012 . 2 . . . A 31 ARG HG2 . 19544 1 363 . 1 1 31 31 ARG HG3 H 1 1.243 0.008 . 2 . . . A 31 ARG HG3 . 19544 1 364 . 1 1 31 31 ARG HD2 H 1 3.124 0.006 . 2 . . . A 31 ARG HD2 . 19544 1 365 . 1 1 31 31 ARG HD3 H 1 3.124 0.006 . 2 . . . A 31 ARG HD3 . 19544 1 366 . 1 1 31 31 ARG HE H 1 7.347 0.006 . 1 . . . A 31 ARG HE . 19544 1 367 . 1 1 31 31 ARG CA C 13 55.501 0.000 . 1 . . . A 31 ARG CA . 19544 1 368 . 1 1 31 31 ARG CB C 13 31.826 0.013 . 1 . . . A 31 ARG CB . 19544 1 369 . 1 1 31 31 ARG CG C 13 28.415 0.114 . 1 . . . A 31 ARG CG . 19544 1 370 . 1 1 31 31 ARG CD C 13 43.652 0.087 . 1 . . . A 31 ARG CD . 19544 1 371 . 1 1 31 31 ARG N N 15 128.251 0.000 . 1 . . . A 31 ARG N . 19544 1 372 . 1 1 31 31 ARG NE N 15 83.815 0.100 . 1 . . . A 31 ARG NE . 19544 1 373 . 1 1 32 32 ILE H H 1 8.949 0.008 . 1 . . . A 32 ILE H . 19544 1 374 . 1 1 32 32 ILE HA H 1 4.660 0.000 . 1 . . . A 32 ILE HA . 19544 1 375 . 1 1 32 32 ILE HB H 1 1.597 0.000 . 1 . . . A 32 ILE HB . 19544 1 376 . 1 1 32 32 ILE HG12 H 1 1.408 0.002 . 2 . . . A 32 ILE HG12 . 19544 1 377 . 1 1 32 32 ILE HG13 H 1 0.801 0.004 . 2 . . . A 32 ILE HG13 . 19544 1 378 . 1 1 32 32 ILE HG21 H 1 0.604 0.000 . 1 . . . A 32 ILE HG21 . 19544 1 379 . 1 1 32 32 ILE HG22 H 1 0.604 0.000 . 1 . . . A 32 ILE HG22 . 19544 1 380 . 1 1 32 32 ILE HG23 H 1 0.604 0.000 . 1 . . . A 32 ILE HG23 . 19544 1 381 . 1 1 32 32 ILE HD11 H 1 0.516 0.000 . 1 . . . A 32 ILE HD11 . 19544 1 382 . 1 1 32 32 ILE HD12 H 1 0.516 0.000 . 1 . . . A 32 ILE HD12 . 19544 1 383 . 1 1 32 32 ILE HD13 H 1 0.516 0.000 . 1 . . . A 32 ILE HD13 . 19544 1 384 . 1 1 32 32 ILE CA C 13 59.568 0.000 . 1 . . . A 32 ILE CA . 19544 1 385 . 1 1 32 32 ILE CB C 13 41.055 0.000 . 1 . . . A 32 ILE CB . 19544 1 386 . 1 1 32 32 ILE CG1 C 13 28.145 0.054 . 1 . . . A 32 ILE CG1 . 19544 1 387 . 1 1 32 32 ILE CG2 C 13 18.061 0.000 . 1 . . . A 32 ILE CG2 . 19544 1 388 . 1 1 32 32 ILE CD1 C 13 14.066 0.000 . 1 . . . A 32 ILE CD1 . 19544 1 389 . 1 1 32 32 ILE N N 15 127.573 0.002 . 1 . . . A 32 ILE N . 19544 1 390 . 1 1 33 33 GLY H H 1 9.127 0.003 . 1 . . . A 33 GLY H . 19544 1 391 . 1 1 33 33 GLY HA2 H 1 3.607 0.009 . 2 . . . A 33 GLY HA2 . 19544 1 392 . 1 1 33 33 GLY HA3 H 1 4.742 0.644 . 2 . . . A 33 GLY HA3 . 19544 1 393 . 1 1 33 33 GLY CA C 13 44.594 0.070 . 1 . . . A 33 GLY CA . 19544 1 394 . 1 1 33 33 GLY N N 15 112.581 0.000 . 1 . . . A 33 GLY N . 19544 1 395 . 1 1 34 34 ILE H H 1 9.599 0.011 . 1 . . . A 34 ILE H . 19544 1 396 . 1 1 34 34 ILE HA H 1 4.830 0.000 . 1 . . . A 34 ILE HA . 19544 1 397 . 1 1 34 34 ILE HB H 1 1.500 0.006 . 1 . . . A 34 ILE HB . 19544 1 398 . 1 1 34 34 ILE HG12 H 1 1.277 0.000 . 2 . . . A 34 ILE HG12 . 19544 1 399 . 1 1 34 34 ILE HG13 H 1 0.789 0.000 . 2 . . . A 34 ILE HG13 . 19544 1 400 . 1 1 34 34 ILE HG21 H 1 0.636 0.000 . 1 . . . A 34 ILE HG21 . 19544 1 401 . 1 1 34 34 ILE HG22 H 1 0.636 0.000 . 1 . . . A 34 ILE HG22 . 19544 1 402 . 1 1 34 34 ILE HG23 H 1 0.636 0.000 . 1 . . . A 34 ILE HG23 . 19544 1 403 . 1 1 34 34 ILE HD11 H 1 0.552 0.027 . 1 . . . A 34 ILE HD11 . 19544 1 404 . 1 1 34 34 ILE HD12 H 1 0.552 0.027 . 1 . . . A 34 ILE HD12 . 19544 1 405 . 1 1 34 34 ILE HD13 H 1 0.552 0.027 . 1 . . . A 34 ILE HD13 . 19544 1 406 . 1 1 34 34 ILE CA C 13 60.950 0.000 . 1 . . . A 34 ILE CA . 19544 1 407 . 1 1 34 34 ILE CB C 13 41.304 0.045 . 1 . . . A 34 ILE CB . 19544 1 408 . 1 1 34 34 ILE CG1 C 13 29.395 0.008 . 1 . . . A 34 ILE CG1 . 19544 1 409 . 1 1 34 34 ILE CG2 C 13 19.446 0.000 . 1 . . . A 34 ILE CG2 . 19544 1 410 . 1 1 34 34 ILE CD1 C 13 16.239 0.000 . 1 . . . A 34 ILE CD1 . 19544 1 411 . 1 1 34 34 ILE N N 15 124.726 0.057 . 1 . . . A 34 ILE N . 19544 1 412 . 1 1 35 35 ASN H H 1 9.035 0.007 . 1 . . . A 35 ASN H . 19544 1 413 . 1 1 35 35 ASN HA H 1 5.095 0.000 . 1 . . . A 35 ASN HA . 19544 1 414 . 1 1 35 35 ASN HB2 H 1 2.829 0.010 . 2 . . . A 35 ASN HB2 . 19544 1 415 . 1 1 35 35 ASN HB3 H 1 2.542 0.009 . 2 . . . A 35 ASN HB3 . 19544 1 416 . 1 1 35 35 ASN HD21 H 1 6.722 0.005 . 2 . . . A 35 ASN HD21 . 19544 1 417 . 1 1 35 35 ASN HD22 H 1 7.338 0.009 . 2 . . . A 35 ASN HD22 . 19544 1 418 . 1 1 35 35 ASN CA C 13 52.000 0.000 . 1 . . . A 35 ASN CA . 19544 1 419 . 1 1 35 35 ASN CB C 13 40.148 0.007 . 1 . . . A 35 ASN CB . 19544 1 420 . 1 1 35 35 ASN N N 15 129.529 0.016 . 1 . . . A 35 ASN N . 19544 1 421 . 1 1 35 35 ASN ND2 N 15 112.481 0.155 . 1 . . . A 35 ASN ND2 . 19544 1 422 . 1 1 36 36 ALA H H 1 8.231 0.003 . 1 . . . A 36 ALA H . 19544 1 423 . 1 1 36 36 ALA HA H 1 5.060 0.000 . 1 . . . A 36 ALA HA . 19544 1 424 . 1 1 36 36 ALA HB1 H 1 1.074 0.004 . 1 . . . A 36 ALA HB1 . 19544 1 425 . 1 1 36 36 ALA HB2 H 1 1.074 0.004 . 1 . . . A 36 ALA HB2 . 19544 1 426 . 1 1 36 36 ALA HB3 H 1 1.074 0.004 . 1 . . . A 36 ALA HB3 . 19544 1 427 . 1 1 36 36 ALA CA C 13 49.316 0.000 . 1 . . . A 36 ALA CA . 19544 1 428 . 1 1 36 36 ALA CB C 13 19.898 0.033 . 1 . . . A 36 ALA CB . 19544 1 429 . 1 1 36 36 ALA N N 15 125.575 0.050 . 1 . . . A 36 ALA N . 19544 1 430 . 1 1 37 37 PRO HA H 1 4.412 0.000 . 1 . . . A 37 PRO HA . 19544 1 431 . 1 1 37 37 PRO HB2 H 1 2.415 0.000 . 2 . . . A 37 PRO HB2 . 19544 1 432 . 1 1 37 37 PRO HG2 H 1 2.080 0.000 . 2 . . . A 37 PRO HG2 . 19544 1 433 . 1 1 37 37 PRO HG3 H 1 1.926 0.000 . 2 . . . A 37 PRO HG3 . 19544 1 434 . 1 1 37 37 PRO HD2 H 1 3.931 0.000 . 2 . . . A 37 PRO HD2 . 19544 1 435 . 1 1 37 37 PRO HD3 H 1 3.058 0.000 . 2 . . . A 37 PRO HD3 . 19544 1 436 . 1 1 37 37 PRO CA C 13 62.900 0.000 . 1 . . . A 37 PRO CA . 19544 1 437 . 1 1 37 37 PRO CB C 13 32.325 0.000 . 1 . . . A 37 PRO CB . 19544 1 438 . 1 1 37 37 PRO CG C 13 28.014 0.011 . 1 . . . A 37 PRO CG . 19544 1 439 . 1 1 37 37 PRO CD C 13 50.407 0.000 . 1 . . . A 37 PRO CD . 19544 1 440 . 1 1 38 38 LYS H H 1 8.555 0.000 . 1 . . . A 38 LYS H . 19544 1 441 . 1 1 38 38 LYS HA H 1 3.793 0.005 . 1 . . . A 38 LYS HA . 19544 1 442 . 1 1 38 38 LYS HB2 H 1 1.716 0.003 . 2 . . . A 38 LYS HB2 . 19544 1 443 . 1 1 38 38 LYS HG2 H 1 1.429 0.005 . 2 . . . A 38 LYS HG2 . 19544 1 444 . 1 1 38 38 LYS HG3 H 1 1.401 0.005 . 2 . . . A 38 LYS HG3 . 19544 1 445 . 1 1 38 38 LYS HD2 H 1 1.560 0.004 . 2 . . . A 38 LYS HD2 . 19544 1 446 . 1 1 38 38 LYS HD3 H 1 1.535 0.013 . 2 . . . A 38 LYS HD3 . 19544 1 447 . 1 1 38 38 LYS HE2 H 1 2.928 0.005 . 2 . . . A 38 LYS HE2 . 19544 1 448 . 1 1 38 38 LYS HE3 H 1 2.928 0.005 . 2 . . . A 38 LYS HE3 . 19544 1 449 . 1 1 38 38 LYS CA C 13 58.798 0.135 . 1 . . . A 38 LYS CA . 19544 1 450 . 1 1 38 38 LYS CB C 13 31.843 0.071 . 1 . . . A 38 LYS CB . 19544 1 451 . 1 1 38 38 LYS CG C 13 25.011 0.061 . 1 . . . A 38 LYS CG . 19544 1 452 . 1 1 38 38 LYS CD C 13 28.317 0.115 . 1 . . . A 38 LYS CD . 19544 1 453 . 1 1 38 38 LYS CE C 13 42.142 0.104 . 1 . . . A 38 LYS CE . 19544 1 454 . 1 1 38 38 LYS N N 15 121.064 0.000 . 1 . . . A 38 LYS N . 19544 1 455 . 1 1 39 39 ASP H H 1 8.159 0.000 . 1 . . . A 39 ASP H . 19544 1 456 . 1 1 39 39 ASP HA H 1 4.354 0.000 . 1 . . . A 39 ASP HA . 19544 1 457 . 1 1 39 39 ASP HB2 H 1 2.666 0.000 . 2 . . . A 39 ASP HB2 . 19544 1 458 . 1 1 39 39 ASP HB3 H 1 2.534 0.000 . 2 . . . A 39 ASP HB3 . 19544 1 459 . 1 1 39 39 ASP CA C 13 53.955 0.000 . 1 . . . A 39 ASP CA . 19544 1 460 . 1 1 39 39 ASP CB C 13 39.712 0.023 . 1 . . . A 39 ASP CB . 19544 1 461 . 1 1 39 39 ASP N N 15 113.867 0.020 . 1 . . . A 39 ASP N . 19544 1 462 . 1 1 40 40 VAL H H 1 8.050 0.004 . 1 . . . A 40 VAL H . 19544 1 463 . 1 1 40 40 VAL HA H 1 3.970 0.002 . 1 . . . A 40 VAL HA . 19544 1 464 . 1 1 40 40 VAL HB H 1 2.077 0.001 . 1 . . . A 40 VAL HB . 19544 1 465 . 1 1 40 40 VAL HG11 H 1 0.806 0.003 . 2 . . . A 40 VAL HG11 . 19544 1 466 . 1 1 40 40 VAL HG12 H 1 0.806 0.003 . 2 . . . A 40 VAL HG12 . 19544 1 467 . 1 1 40 40 VAL HG13 H 1 0.806 0.003 . 2 . . . A 40 VAL HG13 . 19544 1 468 . 1 1 40 40 VAL HG21 H 1 0.655 0.017 . 2 . . . A 40 VAL HG21 . 19544 1 469 . 1 1 40 40 VAL HG22 H 1 0.655 0.017 . 2 . . . A 40 VAL HG22 . 19544 1 470 . 1 1 40 40 VAL HG23 H 1 0.655 0.017 . 2 . . . A 40 VAL HG23 . 19544 1 471 . 1 1 40 40 VAL CA C 13 61.806 0.000 . 1 . . . A 40 VAL CA . 19544 1 472 . 1 1 40 40 VAL CB C 13 31.972 0.063 . 1 . . . A 40 VAL CB . 19544 1 473 . 1 1 40 40 VAL CG1 C 13 21.262 0.051 . 2 . . . A 40 VAL CG1 . 19544 1 474 . 1 1 40 40 VAL CG2 C 13 21.018 0.168 . 2 . . . A 40 VAL CG2 . 19544 1 475 . 1 1 40 40 VAL N N 15 122.635 0.017 . 1 . . . A 40 VAL N . 19544 1 476 . 1 1 41 41 ALA H H 1 8.917 0.027 . 1 . . . A 41 ALA H . 19544 1 477 . 1 1 41 41 ALA HA H 1 4.455 0.001 . 1 . . . A 41 ALA HA . 19544 1 478 . 1 1 41 41 ALA HB1 H 1 1.312 0.002 . 1 . . . A 41 ALA HB1 . 19544 1 479 . 1 1 41 41 ALA HB2 H 1 1.312 0.002 . 1 . . . A 41 ALA HB2 . 19544 1 480 . 1 1 41 41 ALA HB3 H 1 1.312 0.002 . 1 . . . A 41 ALA HB3 . 19544 1 481 . 1 1 41 41 ALA CA C 13 52.144 0.005 . 1 . . . A 41 ALA CA . 19544 1 482 . 1 1 41 41 ALA CB C 13 18.921 0.064 . 1 . . . A 41 ALA CB . 19544 1 483 . 1 1 41 41 ALA N N 15 133.705 0.084 . 1 . . . A 41 ALA N . 19544 1 484 . 1 1 42 42 VAL H H 1 7.870 0.017 . 1 . . . A 42 VAL H . 19544 1 485 . 1 1 42 42 VAL HA H 1 4.399 0.019 . 1 . . . A 42 VAL HA . 19544 1 486 . 1 1 42 42 VAL HB H 1 1.174 0.017 . 1 . . . A 42 VAL HB . 19544 1 487 . 1 1 42 42 VAL HG11 H 1 0.611 0.004 . 2 . . . A 42 VAL HG11 . 19544 1 488 . 1 1 42 42 VAL HG12 H 1 0.611 0.004 . 2 . . . A 42 VAL HG12 . 19544 1 489 . 1 1 42 42 VAL HG13 H 1 0.611 0.004 . 2 . . . A 42 VAL HG13 . 19544 1 490 . 1 1 42 42 VAL HG21 H 1 0.346 0.003 . 2 . . . A 42 VAL HG21 . 19544 1 491 . 1 1 42 42 VAL HG22 H 1 0.346 0.003 . 2 . . . A 42 VAL HG22 . 19544 1 492 . 1 1 42 42 VAL HG23 H 1 0.346 0.003 . 2 . . . A 42 VAL HG23 . 19544 1 493 . 1 1 42 42 VAL CA C 13 60.587 0.000 . 1 . . . A 42 VAL CA . 19544 1 494 . 1 1 42 42 VAL CB C 13 33.572 0.159 . 1 . . . A 42 VAL CB . 19544 1 495 . 1 1 42 42 VAL CG1 C 13 20.181 0.054 . 2 . . . A 42 VAL CG1 . 19544 1 496 . 1 1 42 42 VAL CG2 C 13 22.097 0.043 . 2 . . . A 42 VAL CG2 . 19544 1 497 . 1 1 42 42 VAL N N 15 125.251 0.018 . 1 . . . A 42 VAL N . 19544 1 498 . 1 1 43 43 HIS H H 1 8.605 0.011 . 1 . . . A 43 HIS H . 19544 1 499 . 1 1 43 43 HIS HA H 1 5.549 0.010 . 1 . . . A 43 HIS HA . 19544 1 500 . 1 1 43 43 HIS HB2 H 1 3.319 0.009 . 2 . . . A 43 HIS HB2 . 19544 1 501 . 1 1 43 43 HIS HB3 H 1 2.528 0.010 . 2 . . . A 43 HIS HB3 . 19544 1 502 . 1 1 43 43 HIS HD2 H 1 6.934 0.002 . 1 . . . A 43 HIS HD2 . 19544 1 503 . 1 1 43 43 HIS HE1 H 1 7.779 0.002 . 1 . . . A 43 HIS HE1 . 19544 1 504 . 1 1 43 43 HIS CA C 13 53.743 0.058 . 1 . . . A 43 HIS CA . 19544 1 505 . 1 1 43 43 HIS CB C 13 37.784 0.047 . 1 . . . A 43 HIS CB . 19544 1 506 . 1 1 43 43 HIS CD2 C 13 116.455 0.000 . 1 . . . A 43 HIS CD2 . 19544 1 507 . 1 1 43 43 HIS CE1 C 13 139.070 0.000 . 1 . . . A 43 HIS CE1 . 19544 1 508 . 1 1 43 43 HIS N N 15 118.702 0.009 . 1 . . . A 43 HIS N . 19544 1 509 . 1 1 44 44 ARG H H 1 8.395 0.008 . 1 . . . A 44 ARG H . 19544 1 510 . 1 1 44 44 ARG HA H 1 3.959 0.007 . 1 . . . A 44 ARG HA . 19544 1 511 . 1 1 44 44 ARG HE H 1 5.897 0.008 . 1 . . . A 44 ARG HE . 19544 1 512 . 1 1 44 44 ARG CA C 13 58.185 0.000 . 1 . . . A 44 ARG CA . 19544 1 513 . 1 1 44 44 ARG N N 15 121.777 0.039 . 1 . . . A 44 ARG N . 19544 1 514 . 1 1 44 44 ARG NE N 15 81.832 0.000 . 1 . . . A 44 ARG NE . 19544 1 515 . 1 1 45 45 GLU H H 1 7.926 0.013 . 1 . . . A 45 GLU H . 19544 1 516 . 1 1 45 45 GLU HA H 1 4.409 0.003 . 1 . . . A 45 GLU HA . 19544 1 517 . 1 1 45 45 GLU HB2 H 1 1.951 0.000 . 2 . . . A 45 GLU HB2 . 19544 1 518 . 1 1 45 45 GLU HB3 H 1 1.951 0.000 . 2 . . . A 45 GLU HB3 . 19544 1 519 . 1 1 45 45 GLU HG2 H 1 2.383 0.003 . 2 . . . A 45 GLU HG2 . 19544 1 520 . 1 1 45 45 GLU HG3 H 1 2.207 0.004 . 2 . . . A 45 GLU HG3 . 19544 1 521 . 1 1 45 45 GLU CA C 13 59.887 0.000 . 1 . . . A 45 GLU CA . 19544 1 522 . 1 1 45 45 GLU CB C 13 29.944 0.070 . 1 . . . A 45 GLU CB . 19544 1 523 . 1 1 45 45 GLU CG C 13 35.854 0.074 . 1 . . . A 45 GLU CG . 19544 1 524 . 1 1 45 45 GLU N N 15 125.983 0.043 . 1 . . . A 45 GLU N . 19544 1 525 . 1 1 46 46 GLU H H 1 10.750 0.006 . 1 . . . A 46 GLU H . 19544 1 526 . 1 1 46 46 GLU HA H 1 4.251 0.000 . 1 . . . A 46 GLU HA . 19544 1 527 . 1 1 46 46 GLU HB2 H 1 2.251 0.000 . 2 . . . A 46 GLU HB2 . 19544 1 528 . 1 1 46 46 GLU HB3 H 1 1.889 0.000 . 2 . . . A 46 GLU HB3 . 19544 1 529 . 1 1 46 46 GLU HG2 H 1 2.561 0.009 . 2 . . . A 46 GLU HG2 . 19544 1 530 . 1 1 46 46 GLU HG3 H 1 2.263 0.008 . 2 . . . A 46 GLU HG3 . 19544 1 531 . 1 1 46 46 GLU CA C 13 58.573 0.000 . 1 . . . A 46 GLU CA . 19544 1 532 . 1 1 46 46 GLU CB C 13 26.850 0.009 . 1 . . . A 46 GLU CB . 19544 1 533 . 1 1 46 46 GLU CG C 13 34.985 0.190 . 1 . . . A 46 GLU CG . 19544 1 534 . 1 1 46 46 GLU N N 15 118.177 0.114 . 1 . . . A 46 GLU N . 19544 1 535 . 1 1 47 47 ILE H H 1 7.166 0.004 . 1 . . . A 47 ILE H . 19544 1 536 . 1 1 47 47 ILE HA H 1 3.740 0.007 . 1 . . . A 47 ILE HA . 19544 1 537 . 1 1 47 47 ILE HB H 1 2.121 0.000 . 1 . . . A 47 ILE HB . 19544 1 538 . 1 1 47 47 ILE HG12 H 1 1.368 0.000 . 2 . . . A 47 ILE HG12 . 19544 1 539 . 1 1 47 47 ILE HG13 H 1 1.253 0.000 . 2 . . . A 47 ILE HG13 . 19544 1 540 . 1 1 47 47 ILE HG21 H 1 0.246 0.009 . 1 . . . A 47 ILE HG21 . 19544 1 541 . 1 1 47 47 ILE HG22 H 1 0.246 0.009 . 1 . . . A 47 ILE HG22 . 19544 1 542 . 1 1 47 47 ILE HG23 H 1 0.246 0.009 . 1 . . . A 47 ILE HG23 . 19544 1 543 . 1 1 47 47 ILE HD11 H 1 0.559 0.008 . 1 . . . A 47 ILE HD11 . 19544 1 544 . 1 1 47 47 ILE HD12 H 1 0.559 0.008 . 1 . . . A 47 ILE HD12 . 19544 1 545 . 1 1 47 47 ILE HD13 H 1 0.559 0.008 . 1 . . . A 47 ILE HD13 . 19544 1 546 . 1 1 47 47 ILE CA C 13 60.549 0.000 . 1 . . . A 47 ILE CA . 19544 1 547 . 1 1 47 47 ILE CB C 13 34.717 0.000 . 1 . . . A 47 ILE CB . 19544 1 548 . 1 1 47 47 ILE CG1 C 13 26.463 0.009 . 1 . . . A 47 ILE CG1 . 19544 1 549 . 1 1 47 47 ILE CG2 C 13 16.647 0.073 . 1 . . . A 47 ILE CG2 . 19544 1 550 . 1 1 47 47 ILE CD1 C 13 8.283 0.000 . 1 . . . A 47 ILE CD1 . 19544 1 551 . 1 1 47 47 ILE N N 15 122.609 0.053 . 1 . . . A 47 ILE N . 19544 1 552 . 1 1 48 48 TYR H H 1 8.113 0.005 . 1 . . . A 48 TYR H . 19544 1 553 . 1 1 48 48 TYR HA H 1 3.612 0.001 . 1 . . . A 48 TYR HA . 19544 1 554 . 1 1 48 48 TYR HB2 H 1 3.265 0.002 . 2 . . . A 48 TYR HB2 . 19544 1 555 . 1 1 48 48 TYR HB3 H 1 2.732 0.005 . 2 . . . A 48 TYR HB3 . 19544 1 556 . 1 1 48 48 TYR HD1 H 1 6.932 0.003 . 3 . . . A 48 TYR HD1 . 19544 1 557 . 1 1 48 48 TYR HD2 H 1 6.932 0.003 . 3 . . . A 48 TYR HD2 . 19544 1 558 . 1 1 48 48 TYR HE1 H 1 6.729 0.002 . 3 . . . A 48 TYR HE1 . 19544 1 559 . 1 1 48 48 TYR HE2 H 1 6.729 0.002 . 3 . . . A 48 TYR HE2 . 19544 1 560 . 1 1 48 48 TYR CA C 13 62.310 0.000 . 1 . . . A 48 TYR CA . 19544 1 561 . 1 1 48 48 TYR CB C 13 39.047 0.025 . 1 . . . A 48 TYR CB . 19544 1 562 . 1 1 48 48 TYR CD2 C 13 133.083 0.000 . 3 . . . A 48 TYR CD2 . 19544 1 563 . 1 1 48 48 TYR CE2 C 13 118.307 0.000 . 3 . . . A 48 TYR CE2 . 19544 1 564 . 1 1 48 48 TYR N N 15 122.090 0.038 . 1 . . . A 48 TYR N . 19544 1 565 . 1 1 49 49 GLN H H 1 8.573 0.002 . 1 . . . A 49 GLN H . 19544 1 566 . 1 1 49 49 GLN HA H 1 3.844 0.008 . 1 . . . A 49 GLN HA . 19544 1 567 . 1 1 49 49 GLN HB2 H 1 2.042 0.000 . 2 . . . A 49 GLN HB2 . 19544 1 568 . 1 1 49 49 GLN HB3 H 1 2.001 0.000 . 2 . . . A 49 GLN HB3 . 19544 1 569 . 1 1 49 49 GLN HG2 H 1 2.489 0.000 . 2 . . . A 49 GLN HG2 . 19544 1 570 . 1 1 49 49 GLN HG3 H 1 2.627 0.003 . 2 . . . A 49 GLN HG3 . 19544 1 571 . 1 1 49 49 GLN HE21 H 1 6.743 0.007 . 2 . . . A 49 GLN HE21 . 19544 1 572 . 1 1 49 49 GLN HE22 H 1 7.469 0.007 . 2 . . . A 49 GLN HE22 . 19544 1 573 . 1 1 49 49 GLN CA C 13 58.565 0.000 . 1 . . . A 49 GLN CA . 19544 1 574 . 1 1 49 49 GLN CB C 13 28.103 0.000 . 1 . . . A 49 GLN CB . 19544 1 575 . 1 1 49 49 GLN CG C 13 33.784 0.004 . 1 . . . A 49 GLN CG . 19544 1 576 . 1 1 49 49 GLN N N 15 114.980 0.100 . 1 . . . A 49 GLN N . 19544 1 577 . 1 1 49 49 GLN NE2 N 15 111.075 0.001 . 1 . . . A 49 GLN NE2 . 19544 1 578 . 1 1 50 50 ARG H H 1 7.176 0.014 . 1 . . . A 50 ARG H . 19544 1 579 . 1 1 50 50 ARG HA H 1 3.964 0.006 . 1 . . . A 50 ARG HA . 19544 1 580 . 1 1 50 50 ARG HB2 H 1 1.891 0.003 . 2 . . . A 50 ARG HB2 . 19544 1 581 . 1 1 50 50 ARG HB3 H 1 1.837 0.021 . 2 . . . A 50 ARG HB3 . 19544 1 582 . 1 1 50 50 ARG HG2 H 1 1.839 0.005 . 2 . . . A 50 ARG HG2 . 19544 1 583 . 1 1 50 50 ARG HG3 H 1 1.624 0.003 . 2 . . . A 50 ARG HG3 . 19544 1 584 . 1 1 50 50 ARG HD2 H 1 3.138 0.006 . 2 . . . A 50 ARG HD2 . 19544 1 585 . 1 1 50 50 ARG HD3 H 1 2.964 0.003 . 2 . . . A 50 ARG HD3 . 19544 1 586 . 1 1 50 50 ARG CA C 13 59.153 0.000 . 1 . . . A 50 ARG CA . 19544 1 587 . 1 1 50 50 ARG CB C 13 30.409 0.071 . 1 . . . A 50 ARG CB . 19544 1 588 . 1 1 50 50 ARG CG C 13 27.183 0.083 . 1 . . . A 50 ARG CG . 19544 1 589 . 1 1 50 50 ARG CD C 13 43.953 0.161 . 1 . . . A 50 ARG CD . 19544 1 590 . 1 1 50 50 ARG N N 15 120.374 0.000 . 1 . . . A 50 ARG N . 19544 1 591 . 1 1 51 51 ILE H H 1 7.993 0.000 . 1 . . . A 51 ILE H . 19544 1 592 . 1 1 51 51 ILE HA H 1 3.568 0.000 . 1 . . . A 51 ILE HA . 19544 1 593 . 1 1 51 51 ILE HB H 1 1.548 0.003 . 1 . . . A 51 ILE HB . 19544 1 594 . 1 1 51 51 ILE HG12 H 1 1.264 0.000 . 2 . . . A 51 ILE HG12 . 19544 1 595 . 1 1 51 51 ILE HG13 H 1 0.777 0.007 . 2 . . . A 51 ILE HG13 . 19544 1 596 . 1 1 51 51 ILE HG21 H 1 0.647 0.007 . 1 . . . A 51 ILE HG21 . 19544 1 597 . 1 1 51 51 ILE HG22 H 1 0.647 0.007 . 1 . . . A 51 ILE HG22 . 19544 1 598 . 1 1 51 51 ILE HG23 H 1 0.647 0.007 . 1 . . . A 51 ILE HG23 . 19544 1 599 . 1 1 51 51 ILE HD11 H 1 0.184 0.006 . 1 . . . A 51 ILE HD11 . 19544 1 600 . 1 1 51 51 ILE HD12 H 1 0.184 0.006 . 1 . . . A 51 ILE HD12 . 19544 1 601 . 1 1 51 51 ILE HD13 H 1 0.184 0.006 . 1 . . . A 51 ILE HD13 . 19544 1 602 . 1 1 51 51 ILE CA C 13 64.674 0.000 . 1 . . . A 51 ILE CA . 19544 1 603 . 1 1 51 51 ILE CB C 13 38.079 0.105 . 1 . . . A 51 ILE CB . 19544 1 604 . 1 1 51 51 ILE CG1 C 13 28.769 0.007 . 1 . . . A 51 ILE CG1 . 19544 1 605 . 1 1 51 51 ILE CG2 C 13 16.749 0.000 . 1 . . . A 51 ILE CG2 . 19544 1 606 . 1 1 51 51 ILE CD1 C 13 13.674 0.000 . 1 . . . A 51 ILE CD1 . 19544 1 607 . 1 1 51 51 ILE N N 15 120.770 0.000 . 1 . . . A 51 ILE N . 19544 1 608 . 1 1 52 52 GLN H H 1 7.927 0.061 . 1 . . . A 52 GLN H . 19544 1 609 . 1 1 52 52 GLN HA H 1 3.787 0.002 . 1 . . . A 52 GLN HA . 19544 1 610 . 1 1 52 52 GLN HB2 H 1 1.947 0.000 . 2 . . . A 52 GLN HB2 . 19544 1 611 . 1 1 52 52 GLN HB3 H 1 1.760 0.005 . 2 . . . A 52 GLN HB3 . 19544 1 612 . 1 1 52 52 GLN HG2 H 1 1.960 0.002 . 2 . . . A 52 GLN HG2 . 19544 1 613 . 1 1 52 52 GLN HG3 H 1 1.885 0.002 . 2 . . . A 52 GLN HG3 . 19544 1 614 . 1 1 52 52 GLN HE21 H 1 6.409 0.000 . 2 . . . A 52 GLN HE21 . 19544 1 615 . 1 1 52 52 GLN HE22 H 1 6.724 0.008 . 2 . . . A 52 GLN HE22 . 19544 1 616 . 1 1 52 52 GLN CA C 13 57.453 0.000 . 1 . . . A 52 GLN CA . 19544 1 617 . 1 1 52 52 GLN CB C 13 28.040 0.030 . 1 . . . A 52 GLN CB . 19544 1 618 . 1 1 52 52 GLN CG C 13 33.228 0.007 . 1 . . . A 52 GLN CG . 19544 1 619 . 1 1 52 52 GLN N N 15 118.553 0.000 . 1 . . . A 52 GLN N . 19544 1 620 . 1 1 52 52 GLN NE2 N 15 112.721 0.005 . 1 . . . A 52 GLN NE2 . 19544 1 621 . 1 1 53 53 ALA H H 1 7.600 0.000 . 1 . . . A 53 ALA H . 19544 1 622 . 1 1 53 53 ALA HA H 1 4.159 0.000 . 1 . . . A 53 ALA HA . 19544 1 623 . 1 1 53 53 ALA HB1 H 1 1.394 0.000 . 1 . . . A 53 ALA HB1 . 19544 1 624 . 1 1 53 53 ALA HB2 H 1 1.394 0.000 . 1 . . . A 53 ALA HB2 . 19544 1 625 . 1 1 53 53 ALA HB3 H 1 1.394 0.000 . 1 . . . A 53 ALA HB3 . 19544 1 626 . 1 1 53 53 ALA CA C 13 53.176 0.000 . 1 . . . A 53 ALA CA . 19544 1 627 . 1 1 53 53 ALA CB C 13 18.419 0.000 . 1 . . . A 53 ALA CB . 19544 1 628 . 1 1 53 53 ALA N N 15 120.448 0.000 . 1 . . . A 53 ALA N . 19544 1 629 . 1 1 54 54 GLY H H 1 7.671 0.000 . 1 . . . A 54 GLY H . 19544 1 630 . 1 1 54 54 GLY HA2 H 1 3.900 0.000 . 2 . . . A 54 GLY HA2 . 19544 1 631 . 1 1 54 54 GLY HA3 H 1 3.869 0.000 . 2 . . . A 54 GLY HA3 . 19544 1 632 . 1 1 54 54 GLY CA C 13 45.517 0.003 . 1 . . . A 54 GLY CA . 19544 1 633 . 1 1 54 54 GLY N N 15 105.491 0.000 . 1 . . . A 54 GLY N . 19544 1 634 . 1 1 55 55 LEU H H 1 7.640 0.000 . 1 . . . A 55 LEU H . 19544 1 635 . 1 1 55 55 LEU HA H 1 4.312 0.000 . 1 . . . A 55 LEU HA . 19544 1 636 . 1 1 55 55 LEU HB2 H 1 1.629 0.000 . 2 . . . A 55 LEU HB2 . 19544 1 637 . 1 1 55 55 LEU HB3 H 1 1.511 0.000 . 2 . . . A 55 LEU HB3 . 19544 1 638 . 1 1 55 55 LEU HG H 1 1.631 0.000 . 1 . . . A 55 LEU HG . 19544 1 639 . 1 1 55 55 LEU HD11 H 1 0.832 0.000 . 2 . . . A 55 LEU HD11 . 19544 1 640 . 1 1 55 55 LEU HD12 H 1 0.832 0.000 . 2 . . . A 55 LEU HD12 . 19544 1 641 . 1 1 55 55 LEU HD13 H 1 0.832 0.000 . 2 . . . A 55 LEU HD13 . 19544 1 642 . 1 1 55 55 LEU HD21 H 1 0.798 0.000 . 2 . . . A 55 LEU HD21 . 19544 1 643 . 1 1 55 55 LEU HD22 H 1 0.798 0.000 . 2 . . . A 55 LEU HD22 . 19544 1 644 . 1 1 55 55 LEU HD23 H 1 0.798 0.000 . 2 . . . A 55 LEU HD23 . 19544 1 645 . 1 1 55 55 LEU CA C 13 54.840 0.000 . 1 . . . A 55 LEU CA . 19544 1 646 . 1 1 55 55 LEU CB C 13 42.133 0.004 . 1 . . . A 55 LEU CB . 19544 1 647 . 1 1 55 55 LEU CG C 13 26.783 0.000 . 1 . . . A 55 LEU CG . 19544 1 648 . 1 1 55 55 LEU CD1 C 13 25.008 0.000 . 2 . . . A 55 LEU CD1 . 19544 1 649 . 1 1 55 55 LEU CD2 C 13 22.826 0.000 . 2 . . . A 55 LEU CD2 . 19544 1 650 . 1 1 55 55 LEU N N 15 120.780 0.000 . 1 . . . A 55 LEU N . 19544 1 651 . 1 1 56 56 THR H H 1 7.788 0.000 . 1 . . . A 56 THR H . 19544 1 652 . 1 1 56 56 THR HA H 1 4.271 0.003 . 1 . . . A 56 THR HA . 19544 1 653 . 1 1 56 56 THR HB H 1 4.133 0.006 . 1 . . . A 56 THR HB . 19544 1 654 . 1 1 56 56 THR HG21 H 1 1.132 0.000 . 1 . . . A 56 THR HG21 . 19544 1 655 . 1 1 56 56 THR HG22 H 1 1.132 0.000 . 1 . . . A 56 THR HG22 . 19544 1 656 . 1 1 56 56 THR HG23 H 1 1.132 0.000 . 1 . . . A 56 THR HG23 . 19544 1 657 . 1 1 56 56 THR CA C 13 61.302 0.000 . 1 . . . A 56 THR CA . 19544 1 658 . 1 1 56 56 THR CB C 13 69.901 0.078 . 1 . . . A 56 THR CB . 19544 1 659 . 1 1 56 56 THR CG2 C 13 21.413 0.000 . 1 . . . A 56 THR CG2 . 19544 1 660 . 1 1 56 56 THR N N 15 113.308 0.000 . 1 . . . A 56 THR N . 19544 1 661 . 1 1 57 57 ALA H H 1 8.072 0.009 . 1 . . . A 57 ALA H . 19544 1 662 . 1 1 57 57 ALA HA H 1 4.508 0.000 . 1 . . . A 57 ALA HA . 19544 1 663 . 1 1 57 57 ALA HB1 H 1 1.301 0.008 . 1 . . . A 57 ALA HB1 . 19544 1 664 . 1 1 57 57 ALA HB2 H 1 1.301 0.008 . 1 . . . A 57 ALA HB2 . 19544 1 665 . 1 1 57 57 ALA HB3 H 1 1.301 0.008 . 1 . . . A 57 ALA HB3 . 19544 1 666 . 1 1 57 57 ALA CA C 13 50.519 0.000 . 1 . . . A 57 ALA CA . 19544 1 667 . 1 1 57 57 ALA CB C 13 18.234 0.000 . 1 . . . A 57 ALA CB . 19544 1 668 . 1 1 57 57 ALA N N 15 127.382 0.052 . 1 . . . A 57 ALA N . 19544 1 669 . 1 1 58 58 PRO HA H 1 4.315 0.000 . 1 . . . A 58 PRO HA . 19544 1 670 . 1 1 58 58 PRO HB2 H 1 2.226 0.000 . 2 . . . A 58 PRO HB2 . 19544 1 671 . 1 1 58 58 PRO HB3 H 1 1.870 0.000 . 2 . . . A 58 PRO HB3 . 19544 1 672 . 1 1 58 58 PRO HG2 H 1 1.960 0.000 . 2 . . . A 58 PRO HG2 . 19544 1 673 . 1 1 58 58 PRO HG3 H 1 1.960 0.000 . 2 . . . A 58 PRO HG3 . 19544 1 674 . 1 1 58 58 PRO HD2 H 1 3.712 0.000 . 2 . . . A 58 PRO HD2 . 19544 1 675 . 1 1 58 58 PRO HD3 H 1 3.601 0.009 . 2 . . . A 58 PRO HD3 . 19544 1 676 . 1 1 58 58 PRO CA C 13 63.349 0.000 . 1 . . . A 58 PRO CA . 19544 1 677 . 1 1 58 58 PRO CB C 13 31.892 0.001 . 1 . . . A 58 PRO CB . 19544 1 678 . 1 1 58 58 PRO CG C 13 27.228 0.000 . 1 . . . A 58 PRO CG . 19544 1 679 . 1 1 58 58 PRO CD C 13 50.378 0.020 . 1 . . . A 58 PRO CD . 19544 1 680 . 1 1 59 59 ASP H H 1 8.243 0.000 . 1 . . . A 59 ASP H . 19544 1 681 . 1 1 59 59 ASP HA H 1 4.488 0.000 . 1 . . . A 59 ASP HA . 19544 1 682 . 1 1 59 59 ASP HB2 H 1 2.618 0.000 . 2 . . . A 59 ASP HB2 . 19544 1 683 . 1 1 59 59 ASP HB3 H 1 2.593 0.000 . 2 . . . A 59 ASP HB3 . 19544 1 684 . 1 1 59 59 ASP CA C 13 54.086 0.000 . 1 . . . A 59 ASP CA . 19544 1 685 . 1 1 59 59 ASP CB C 13 41.044 0.000 . 1 . . . A 59 ASP CB . 19544 1 686 . 1 1 59 59 ASP N N 15 119.193 0.000 . 1 . . . A 59 ASP N . 19544 1 687 . 1 1 60 60 LYS H H 1 8.049 0.000 . 1 . . . . 60 LYS H . 19544 1 688 . 1 1 60 60 LYS HA H 1 4.240 0.000 . 1 . . . . 60 LYS HA . 19544 1 689 . 1 1 60 60 LYS HB2 H 1 1.826 0.000 . 2 . . . . 60 LYS HB2 . 19544 1 690 . 1 1 60 60 LYS HB3 H 1 1.703 0.000 . 2 . . . . 60 LYS HB3 . 19544 1 691 . 1 1 60 60 LYS HG2 H 1 1.377 0.000 . 2 . . . . 60 LYS HG2 . 19544 1 692 . 1 1 60 60 LYS HG3 H 1 1.326 0.000 . 2 . . . . 60 LYS HG3 . 19544 1 693 . 1 1 60 60 LYS HD2 H 1 1.623 0.000 . 2 . . . . 60 LYS QD . 19544 1 694 . 1 1 60 60 LYS HD3 H 1 1.623 0.000 . 2 . . . . 60 LYS QD . 19544 1 695 . 1 1 60 60 LYS HE2 H 1 2.949 0.000 . 2 . . . . 60 LYS QE . 19544 1 696 . 1 1 60 60 LYS HE3 H 1 2.949 0.000 . 2 . . . . 60 LYS QE . 19544 1 697 . 1 1 60 60 LYS CA C 13 56.069 0.000 . 1 . . . . 60 LYS CA . 19544 1 698 . 1 1 60 60 LYS CB C 13 32.633 0.005 . 1 . . . . 60 LYS CB . 19544 1 699 . 1 1 60 60 LYS CG C 13 24.632 0.011 . 1 . . . . 60 LYS CG . 19544 1 700 . 1 1 60 60 LYS CD C 13 28.791 0.000 . 1 . . . . 60 LYS CD . 19544 1 701 . 1 1 60 60 LYS CE C 13 41.898 0.000 . 1 . . . . 60 LYS CE . 19544 1 702 . 1 1 60 60 LYS N N 15 121.586 0.000 . 1 . . . . 60 LYS N . 19544 1 703 . 1 1 61 61 ARG H H 1 8.162 0.000 . 1 . . . . 61 ARG H . 19544 1 704 . 1 1 61 61 ARG HA H 1 4.252 0.012 . 1 . . . . 61 ARG HA . 19544 1 705 . 1 1 61 61 ARG HB2 H 1 1.811 0.013 . 2 . . . . 61 ARG HB2 . 19544 1 706 . 1 1 61 61 ARG HB3 H 1 1.736 0.000 . 2 . . . . 61 ARG HB3 . 19544 1 707 . 1 1 61 61 ARG HG2 H 1 1.583 0.003 . 2 . . . . 61 ARG QG . 19544 1 708 . 1 1 61 61 ARG HG3 H 1 1.583 0.003 . 2 . . . . 61 ARG QG . 19544 1 709 . 1 1 61 61 ARG HD2 H 1 3.140 0.002 . 2 . . . . 61 ARG QD . 19544 1 710 . 1 1 61 61 ARG HD3 H 1 3.140 0.002 . 2 . . . . 61 ARG QD . 19544 1 711 . 1 1 61 61 ARG CA C 13 56.056 0.000 . 1 . . . . 61 ARG CA . 19544 1 712 . 1 1 61 61 ARG CB C 13 30.694 0.006 . 1 . . . . 61 ARG CB . 19544 1 713 . 1 1 61 61 ARG CG C 13 27.045 0.000 . 1 . . . . 61 ARG CG . 19544 1 714 . 1 1 61 61 ARG CD C 13 43.544 0.236 . 1 . . . . 61 ARG CD . 19544 1 715 . 1 1 61 61 ARG N N 15 121.716 0.000 . 1 . . . . 61 ARG N . 19544 1 716 . 1 1 62 62 GLU H H 1 8.323 0.000 . 1 . . . . 62 GLU H . 19544 1 717 . 1 1 62 62 GLU HA H 1 4.298 0.000 . 1 . . . . 62 GLU HA . 19544 1 718 . 1 1 62 62 GLU HB2 H 1 1.996 0.000 . 2 . . . . 62 GLU HB2 . 19544 1 719 . 1 1 62 62 GLU HB3 H 1 1.872 0.000 . 2 . . . . 62 GLU HB3 . 19544 1 720 . 1 1 62 62 GLU HG2 H 1 2.206 0.000 . 2 . . . . 62 GLU HG2 . 19544 1 721 . 1 1 62 62 GLU HG3 H 1 2.167 0.000 . 2 . . . . 62 GLU HG3 . 19544 1 722 . 1 1 62 62 GLU CA C 13 56.238 0.000 . 1 . . . . 62 GLU CA . 19544 1 723 . 1 1 62 62 GLU CB C 13 30.387 0.007 . 1 . . . . 62 GLU CB . 19544 1 724 . 1 1 62 62 GLU CG C 13 36.166 0.008 . 1 . . . . 62 GLU CG . 19544 1 725 . 1 1 62 62 GLU N N 15 121.732 0.000 . 1 . . . . 62 GLU N . 19544 1 726 . 1 1 63 63 THR H H 1 8.125 0.000 . 1 . . . . 63 THR H . 19544 1 727 . 1 1 63 63 THR HA H 1 4.534 0.000 . 1 . . . . 63 THR HA . 19544 1 728 . 1 1 63 63 THR HB H 1 4.073 0.000 . 1 . . . . 63 THR HB . 19544 1 729 . 1 1 63 63 THR HG21 H 1 1.145 0.000 . 1 . . . . 63 THR QG2 . 19544 1 730 . 1 1 63 63 THR HG22 H 1 1.145 0.000 . 1 . . . . 63 THR QG2 . 19544 1 731 . 1 1 63 63 THR HG23 H 1 1.145 0.000 . 1 . . . . 63 THR QG2 . 19544 1 732 . 1 1 63 63 THR CA C 13 59.468 0.000 . 1 . . . . 63 THR CA . 19544 1 733 . 1 1 63 63 THR CB C 13 69.604 0.000 . 1 . . . . 63 THR CB . 19544 1 734 . 1 1 63 63 THR CG2 C 13 21.398 0.000 . 1 . . . . 63 THR CG2 . 19544 1 735 . 1 1 63 63 THR N N 15 117.474 0.000 . 1 . . . . 63 THR N . 19544 1 736 . 1 1 64 64 PRO HA H 1 4.330 0.000 . 1 . . . . 64 PRO HA . 19544 1 737 . 1 1 64 64 PRO HB2 H 1 2.164 0.000 . 2 . . . . 64 PRO HB2 . 19544 1 738 . 1 1 64 64 PRO HB3 H 1 1.678 0.000 . 2 . . . . 64 PRO HB3 . 19544 1 739 . 1 1 64 64 PRO HG2 H 1 1.881 0.000 . 2 . . . . 64 PRO QG . 19544 1 740 . 1 1 64 64 PRO HG3 H 1 1.881 0.000 . 2 . . . . 64 PRO QG . 19544 1 741 . 1 1 64 64 PRO HD2 H 1 3.592 0.000 . 2 . . . . 64 PRO HD2 . 19544 1 742 . 1 1 64 64 PRO HD3 H 1 3.743 0.000 . 2 . . . . 64 PRO HD3 . 19544 1 743 . 1 1 64 64 PRO CA C 13 63.291 0.000 . 1 . . . . 64 PRO CA . 19544 1 744 . 1 1 64 64 PRO CB C 13 31.885 0.014 . 1 . . . . 64 PRO CB . 19544 1 745 . 1 1 64 64 PRO CG C 13 27.188 0.000 . 1 . . . . 64 PRO CG . 19544 1 746 . 1 1 64 64 PRO CD C 13 50.967 0.003 . 1 . . . . 64 PRO CD . 19544 1 747 . 1 1 65 65 HIS HA H 1 4.352 0.000 . 1 . . . . 65 HIS HA . 19544 1 748 . 1 1 65 65 HIS HB2 H 1 3.100 0.000 . 2 . . . . 65 HIS HB2 . 19544 1 749 . 1 1 65 65 HIS HB3 H 1 2.953 0.000 . 2 . . . . 65 HIS HB3 . 19544 1 750 . 1 1 65 65 HIS CA C 13 57.424 0.000 . 1 . . . . 65 HIS CA . 19544 1 751 . 1 1 65 65 HIS CB C 13 30.916 0.060 . 1 . . . . 65 HIS CB . 19544 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 19544 _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' . . . 19544 2 4 '2D 1H-1H NOESY' . . . 19544 2 11 '2D 1H-1H TOCSY' . . . 19544 2 12 '2D 1H-15N HSQC' . . . 19544 2 13 '2D 1H-15N HSQC' . . . 19544 2 14 '2D 1H-13C HSQC' . . . 19544 2 15 '2D 1H-13C HSQC' . . . 19544 2 16 '3D 1H-13C NOESY' . . . 19544 2 17 '3D 1H-13C NOESY' . . . 19544 2 20 '3D HCCH-TOCSY' . . . 19544 2 21 '3D HCCH-TOCSY' . . . 19544 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 12.602 0.009 . 1 . . . B -3 G H1 . 19544 2 2 . 2 2 1 1 G H1' H 1 5.806 0.001 . 1 . . . B -3 G H1' . 19544 2 3 . 2 2 1 1 G H2' H 1 4.885 0.004 . 1 . . . B -3 G H2' . 19544 2 4 . 2 2 1 1 G H3' H 1 4.667 0.000 . 1 . . . B -3 G H3' . 19544 2 5 . 2 2 1 1 G H4' H 1 4.535 0.003 . 1 . . . B -3 G H4' . 19544 2 6 . 2 2 1 1 G H5' H 1 4.423 0.000 . 2 . . . B -3 G H5' . 19544 2 7 . 2 2 1 1 G H5'' H 1 4.253 0.000 . 2 . . . B -3 G H5'' . 19544 2 8 . 2 2 1 1 G H8 H 1 8.104 0.002 . 1 . . . B -3 G H8 . 19544 2 9 . 2 2 1 1 G C1' C 13 91.774 0.000 . 1 . . . B -3 G C1' . 19544 2 10 . 2 2 1 1 G C2' C 13 75.343 0.000 . 1 . . . B -3 G C2' . 19544 2 11 . 2 2 1 1 G C3' C 13 74.837 0.000 . 1 . . . B -3 G C3' . 19544 2 12 . 2 2 1 1 G C4' C 13 83.299 0.000 . 1 . . . B -3 G C4' . 19544 2 13 . 2 2 1 1 G C5' C 13 67.243 0.005 . 1 . . . B -3 G C5' . 19544 2 14 . 2 2 1 1 G C8 C 13 139.131 0.000 . 1 . . . B -3 G C8 . 19544 2 15 . 2 2 1 1 G N1 N 15 147.792 0.000 . 1 . . . B -3 G N1 . 19544 2 16 . 2 2 2 2 G H1 H 1 12.759 0.008 . 1 . . . B -2 G H1 . 19544 2 17 . 2 2 2 2 G H1' H 1 5.907 0.010 . 1 . . . B -2 G H1' . 19544 2 18 . 2 2 2 2 G H2' H 1 4.718 0.004 . 1 . . . B -2 G H2' . 19544 2 19 . 2 2 2 2 G H3' H 1 4.516 0.006 . 1 . . . B -2 G H3' . 19544 2 20 . 2 2 2 2 G H4' H 1 4.524 0.002 . 1 . . . B -2 G H4' . 19544 2 21 . 2 2 2 2 G H5' H 1 4.468 0.009 . 2 . . . B -2 G H5' . 19544 2 22 . 2 2 2 2 G H5'' H 1 4.229 0.008 . 2 . . . B -2 G H5'' . 19544 2 23 . 2 2 2 2 G H8 H 1 7.514 0.009 . 1 . . . B -2 G H8 . 19544 2 24 . 2 2 2 2 G C1' C 13 92.904 0.025 . 1 . . . B -2 G C1' . 19544 2 25 . 2 2 2 2 G C2' C 13 75.697 0.020 . 1 . . . B -2 G C2' . 19544 2 26 . 2 2 2 2 G C3' C 13 73.267 0.044 . 1 . . . B -2 G C3' . 19544 2 27 . 2 2 2 2 G C4' C 13 82.525 0.012 . 1 . . . B -2 G C4' . 19544 2 28 . 2 2 2 2 G C5' C 13 66.225 0.039 . 1 . . . B -2 G C5' . 19544 2 29 . 2 2 2 2 G C8 C 13 136.920 0.000 . 1 . . . B -2 G C8 . 19544 2 30 . 2 2 2 2 G N1 N 15 147.666 0.000 . 1 . . . B -2 G N1 . 19544 2 31 . 2 2 3 3 G H1 H 1 13.134 0.009 . 1 . . . B -1 G H1 . 19544 2 32 . 2 2 3 3 G H1' H 1 5.758 0.006 . 1 . . . B -1 G H1' . 19544 2 33 . 2 2 3 3 G H2' H 1 4.496 0.006 . 1 . . . B -1 G H2' . 19544 2 34 . 2 2 3 3 G H3' H 1 4.389 0.008 . 1 . . . B -1 G H3' . 19544 2 35 . 2 2 3 3 G H4' H 1 4.491 0.001 . 1 . . . B -1 G H4' . 19544 2 36 . 2 2 3 3 G H5' H 1 4.459 0.009 . 2 . . . B -1 G H5' . 19544 2 37 . 2 2 3 3 G H5'' H 1 4.056 0.013 . 2 . . . B -1 G H5'' . 19544 2 38 . 2 2 3 3 G H8 H 1 7.132 0.011 . 1 . . . B -1 G H8 . 19544 2 39 . 2 2 3 3 G C1' C 13 93.240 0.180 . 1 . . . B -1 G C1' . 19544 2 40 . 2 2 3 3 G C2' C 13 75.480 0.042 . 1 . . . B -1 G C2' . 19544 2 41 . 2 2 3 3 G C3' C 13 73.297 0.085 . 1 . . . B -1 G C3' . 19544 2 42 . 2 2 3 3 G C4' C 13 82.406 0.059 . 1 . . . B -1 G C4' . 19544 2 43 . 2 2 3 3 G C5' C 13 65.930 0.071 . 1 . . . B -1 G C5' . 19544 2 44 . 2 2 3 3 G C8 C 13 136.267 0.018 . 1 . . . B -1 G C8 . 19544 2 45 . 2 2 3 3 G N1 N 15 148.499 0.000 . 1 . . . B -1 G N1 . 19544 2 46 . 2 2 4 4 U H1' H 1 5.554 0.009 . 1 . . . B 1 U H1' . 19544 2 47 . 2 2 4 4 U H2' H 1 4.682 0.007 . 1 . . . B 1 U H2' . 19544 2 48 . 2 2 4 4 U H3 H 1 13.523 0.006 . 1 . . . B 1 U H3 . 19544 2 49 . 2 2 4 4 U H3' H 1 4.533 0.029 . 1 . . . B 1 U H3' . 19544 2 50 . 2 2 4 4 U H4' H 1 4.414 0.009 . 1 . . . B 1 U H4' . 19544 2 51 . 2 2 4 4 U H5 H 1 5.051 0.009 . 1 . . . B 1 U H5 . 19544 2 52 . 2 2 4 4 U H5' H 1 4.549 0.006 . 2 . . . B 1 U H5' . 19544 2 53 . 2 2 4 4 U H5'' H 1 4.102 0.012 . 2 . . . B 1 U H5'' . 19544 2 54 . 2 2 4 4 U H6 H 1 7.626 0.009 . 1 . . . B 1 U H6 . 19544 2 55 . 2 2 4 4 U C1' C 13 93.486 0.021 . 1 . . . B 1 U C1' . 19544 2 56 . 2 2 4 4 U C2' C 13 75.579 0.049 . 1 . . . B 1 U C2' . 19544 2 57 . 2 2 4 4 U C3' C 13 72.615 0.048 . 1 . . . B 1 U C3' . 19544 2 58 . 2 2 4 4 U C4' C 13 82.245 0.013 . 1 . . . B 1 U C4' . 19544 2 59 . 2 2 4 4 U C5 C 13 102.944 0.040 . 1 . . . B 1 U C5 . 19544 2 60 . 2 2 4 4 U C5' C 13 64.586 0.063 . 1 . . . B 1 U C5' . 19544 2 61 . 2 2 4 4 U C6 C 13 141.275 0.030 . 1 . . . B 1 U C6 . 19544 2 62 . 2 2 4 4 U N3 N 15 161.860 0.000 . 1 . . . B 1 U N3 . 19544 2 63 . 2 2 5 5 G H1 H 1 12.612 0.003 . 1 . . . B 2 G H1 . 19544 2 64 . 2 2 5 5 G H1' H 1 5.719 0.006 . 1 . . . B 2 G H1' . 19544 2 65 . 2 2 5 5 G H2' H 1 4.563 0.004 . 1 . . . B 2 G H2' . 19544 2 66 . 2 2 5 5 G H3' H 1 4.505 0.003 . 1 . . . B 2 G H3' . 19544 2 67 . 2 2 5 5 G H4' H 1 4.475 0.000 . 1 . . . B 2 G H4' . 19544 2 68 . 2 2 5 5 G H5' H 1 4.354 0.005 . 2 . . . B 2 G H5' . 19544 2 69 . 2 2 5 5 G H5'' H 1 4.099 0.003 . 2 . . . B 2 G H5'' . 19544 2 70 . 2 2 5 5 G H8 H 1 7.577 0.009 . 1 . . . B 2 G H8 . 19544 2 71 . 2 2 5 5 G C1' C 13 92.788 0.010 . 1 . . . B 2 G C1' . 19544 2 72 . 2 2 5 5 G C2' C 13 75.675 0.031 . 1 . . . B 2 G C2' . 19544 2 73 . 2 2 5 5 G C3' C 13 73.470 0.000 . 1 . . . B 2 G C3' . 19544 2 74 . 2 2 5 5 G C4' C 13 82.164 0.000 . 1 . . . B 2 G C4' . 19544 2 75 . 2 2 5 5 G C5' C 13 67.194 0.097 . 1 . . . B 2 G C5' . 19544 2 76 . 2 2 5 5 G C8 C 13 136.593 0.036 . 1 . . . B 2 G C8 . 19544 2 77 . 2 2 5 5 G N1 N 15 147.744 0.000 . 1 . . . B 2 G N1 . 19544 2 78 . 2 2 6 6 U H1' H 1 5.425 0.011 . 1 . . . B 3 U H1' . 19544 2 79 . 2 2 6 6 U H2' H 1 4.508 0.006 . 1 . . . B 3 U H2' . 19544 2 80 . 2 2 6 6 U H3 H 1 14.263 0.009 . 1 . . . B 3 U H3 . 19544 2 81 . 2 2 6 6 U H3' H 1 4.299 0.007 . 1 . . . B 3 U H3' . 19544 2 82 . 2 2 6 6 U H4' H 1 4.423 0.004 . 1 . . . B 3 U H4' . 19544 2 83 . 2 2 6 6 U H5 H 1 5.102 0.008 . 1 . . . B 3 U H5 . 19544 2 84 . 2 2 6 6 U H5'' H 1 4.082 0.005 . 2 . . . B 3 U H5'' . 19544 2 85 . 2 2 6 6 U H6 H 1 7.551 0.014 . 1 . . . B 3 U H6 . 19544 2 86 . 2 2 6 6 U C1' C 13 93.855 0.030 . 1 . . . B 3 U C1' . 19544 2 87 . 2 2 6 6 U C2' C 13 75.454 0.042 . 1 . . . B 3 U C2' . 19544 2 88 . 2 2 6 6 U C3' C 13 72.784 0.007 . 1 . . . B 3 U C3' . 19544 2 89 . 2 2 6 6 U C4' C 13 82.268 0.001 . 1 . . . B 3 U C4' . 19544 2 90 . 2 2 6 6 U C5 C 13 102.906 0.061 . 1 . . . B 3 U C5 . 19544 2 91 . 2 2 6 6 U C5' C 13 64.624 0.105 . 1 . . . B 3 U C5' . 19544 2 92 . 2 2 6 6 U C6 C 13 141.902 0.094 . 1 . . . B 3 U C6 . 19544 2 93 . 2 2 6 6 U N3 N 15 163.002 0.000 . 1 . . . B 3 U N3 . 19544 2 94 . 2 2 7 7 C H1' H 1 5.467 0.013 . 1 . . . B 4 C H1' . 19544 2 95 . 2 2 7 7 C H2' H 1 4.651 0.004 . 1 . . . B 4 C H2' . 19544 2 96 . 2 2 7 7 C H3' H 1 4.397 0.005 . 1 . . . B 4 C H3' . 19544 2 97 . 2 2 7 7 C H4' H 1 4.303 0.001 . 1 . . . B 4 C H4' . 19544 2 98 . 2 2 7 7 C H5 H 1 5.502 0.007 . 1 . . . B 4 C H5 . 19544 2 99 . 2 2 7 7 C H6 H 1 7.609 0.007 . 1 . . . B 4 C H6 . 19544 2 100 . 2 2 7 7 C H41 H 1 8.036 0.008 . 2 . . . B 4 C H41 . 19544 2 101 . 2 2 7 7 C H42 H 1 6.752 0.001 . 2 . . . B 4 C H42 . 19544 2 102 . 2 2 7 7 C C1' C 13 94.030 0.019 . 1 . . . B 4 C C1' . 19544 2 103 . 2 2 7 7 C C2' C 13 75.580 0.042 . 1 . . . B 4 C C2' . 19544 2 104 . 2 2 7 7 C C3' C 13 73.511 0.078 . 1 . . . B 4 C C3' . 19544 2 105 . 2 2 7 7 C C4' C 13 82.008 0.000 . 1 . . . B 4 C C4' . 19544 2 106 . 2 2 7 7 C C5 C 13 98.038 0.012 . 1 . . . B 4 C C5 . 19544 2 107 . 2 2 7 7 C C6 C 13 141.101 0.028 . 1 . . . B 4 C C6 . 19544 2 108 . 2 2 8 8 G H1 H 1 12.607 0.008 . 1 . . . B 5 G H1 . 19544 2 109 . 2 2 8 8 G H1' H 1 5.574 0.007 . 1 . . . B 5 G H1' . 19544 2 110 . 2 2 8 8 G H2' H 1 4.943 0.006 . 1 . . . B 5 G H2' . 19544 2 111 . 2 2 8 8 G H3' H 1 4.407 0.003 . 1 . . . B 5 G H3' . 19544 2 112 . 2 2 8 8 G H4' H 1 4.497 0.006 . 1 . . . B 5 G H4' . 19544 2 113 . 2 2 8 8 G H5' H 1 4.425 0.004 . 2 . . . B 5 G H5' . 19544 2 114 . 2 2 8 8 G H5'' H 1 4.160 0.002 . 2 . . . B 5 G H5'' . 19544 2 115 . 2 2 8 8 G H8 H 1 7.485 0.011 . 1 . . . B 5 G H8 . 19544 2 116 . 2 2 8 8 G C1' C 13 94.111 0.027 . 1 . . . B 5 G C1' . 19544 2 117 . 2 2 8 8 G C2' C 13 75.245 0.022 . 1 . . . B 5 G C2' . 19544 2 118 . 2 2 8 8 G C3' C 13 74.088 0.005 . 1 . . . B 5 G C3' . 19544 2 119 . 2 2 8 8 G C4' C 13 82.618 0.101 . 1 . . . B 5 G C4' . 19544 2 120 . 2 2 8 8 G C5' C 13 67.479 0.032 . 1 . . . B 5 G C5' . 19544 2 121 . 2 2 8 8 G C8 C 13 137.370 0.050 . 1 . . . B 5 G C8 . 19544 2 122 . 2 2 8 8 G N1 N 15 147.833 0.000 . 1 . . . B 5 G N1 . 19544 2 123 . 2 2 9 9 A H1' H 1 6.399 0.009 . 1 . . . B 6 A H1' . 19544 2 124 . 2 2 9 9 A H2 H 1 8.386 0.009 . 1 . . . B 6 A H2 . 19544 2 125 . 2 2 9 9 A H2' H 1 4.094 0.009 . 1 . . . B 6 A H2' . 19544 2 126 . 2 2 9 9 A H3' H 1 5.093 0.011 . 1 . . . B 6 A H3' . 19544 2 127 . 2 2 9 9 A H4' H 1 4.591 0.008 . 1 . . . B 6 A H4' . 19544 2 128 . 2 2 9 9 A H5' H 1 4.608 0.011 . 2 . . . B 6 A H5' . 19544 2 129 . 2 2 9 9 A H5'' H 1 4.217 0.000 . 2 . . . B 6 A H5'' . 19544 2 130 . 2 2 9 9 A H8 H 1 8.248 0.008 . 1 . . . B 6 A H8 . 19544 2 131 . 2 2 9 9 A C1' C 13 91.309 0.039 . 1 . . . B 6 A C1' . 19544 2 132 . 2 2 9 9 A C2 C 13 156.165 0.032 . 1 . . . B 6 A C2 . 19544 2 133 . 2 2 9 9 A C2' C 13 77.443 0.042 . 1 . . . B 6 A C2' . 19544 2 134 . 2 2 9 9 A C3' C 13 73.955 0.088 . 1 . . . B 6 A C3' . 19544 2 135 . 2 2 9 9 A C4' C 13 81.103 0.111 . 1 . . . B 6 A C4' . 19544 2 136 . 2 2 9 9 A C5' C 13 64.775 0.032 . 1 . . . B 6 A C5' . 19544 2 137 . 2 2 9 9 A C8 C 13 139.601 0.035 . 1 . . . B 6 A C8 . 19544 2 138 . 2 2 10 10 C H1' H 1 5.539 0.005 . 1 . . . B 7 C H1' . 19544 2 139 . 2 2 10 10 C H2' H 1 4.157 0.003 . 1 . . . B 7 C H2' . 19544 2 140 . 2 2 10 10 C H3' H 1 4.516 0.004 . 1 . . . B 7 C H3' . 19544 2 141 . 2 2 10 10 C H4' H 1 2.936 0.009 . 1 . . . B 7 C H4' . 19544 2 142 . 2 2 10 10 C H5 H 1 5.826 0.004 . 1 . . . B 7 C H5 . 19544 2 143 . 2 2 10 10 C H5' H 1 3.420 0.023 . 2 . . . B 7 C H5' . 19544 2 144 . 2 2 10 10 C H5'' H 1 3.254 0.023 . 2 . . . B 7 C H5'' . 19544 2 145 . 2 2 10 10 C H6 H 1 7.629 0.005 . 1 . . . B 7 C H6 . 19544 2 146 . 2 2 10 10 C C1' C 13 92.337 0.031 . 1 . . . B 7 C C1' . 19544 2 147 . 2 2 10 10 C C2' C 13 76.772 0.041 . 1 . . . B 7 C C2' . 19544 2 148 . 2 2 10 10 C C3' C 13 74.318 0.033 . 1 . . . B 7 C C3' . 19544 2 149 . 2 2 10 10 C C4' C 13 83.498 0.041 . 1 . . . B 7 C C4' . 19544 2 150 . 2 2 10 10 C C5 C 13 97.748 0.036 . 1 . . . B 7 C C5 . 19544 2 151 . 2 2 10 10 C C5' C 13 64.883 0.045 . 1 . . . B 7 C C5' . 19544 2 152 . 2 2 10 10 C C6 C 13 143.950 0.155 . 1 . . . B 7 C C6 . 19544 2 153 . 2 2 11 11 G H1' H 1 5.423 0.005 . 1 . . . B 8 G H1' . 19544 2 154 . 2 2 11 11 G H2' H 1 4.594 0.007 . 1 . . . B 8 G H2' . 19544 2 155 . 2 2 11 11 G H3' H 1 5.000 0.004 . 1 . . . B 8 G H3' . 19544 2 156 . 2 2 11 11 G H4' H 1 4.587 0.005 . 1 . . . B 8 G H4' . 19544 2 157 . 2 2 11 11 G H5' H 1 4.316 0.006 . 2 . . . B 8 G H5' . 19544 2 158 . 2 2 11 11 G H8 H 1 7.913 0.005 . 1 . . . B 8 G H8 . 19544 2 159 . 2 2 11 11 G C1' C 13 93.068 0.041 . 1 . . . B 8 G C1' . 19544 2 160 . 2 2 11 11 G C2' C 13 77.510 0.040 . 1 . . . B 8 G C2' . 19544 2 161 . 2 2 11 11 G C3' C 13 79.737 0.049 . 1 . . . B 8 G C3' . 19544 2 162 . 2 2 11 11 G C4' C 13 89.736 0.078 . 1 . . . B 8 G C4' . 19544 2 163 . 2 2 11 11 G C5' C 13 68.029 0.088 . 1 . . . B 8 G C5' . 19544 2 164 . 2 2 11 11 G C8 C 13 139.432 0.039 . 1 . . . B 8 G C8 . 19544 2 165 . 2 2 12 12 G H1 H 1 11.465 0.007 . 1 . . . B 9 G H1 . 19544 2 166 . 2 2 12 12 G H1' H 1 5.754 0.010 . 1 . . . B 9 G H1' . 19544 2 167 . 2 2 12 12 G H2' H 1 4.558 0.006 . 1 . . . B 9 G H2' . 19544 2 168 . 2 2 12 12 G H3' H 1 4.560 0.011 . 1 . . . B 9 G H3' . 19544 2 169 . 2 2 12 12 G H4' H 1 4.223 0.011 . 1 . . . B 9 G H4' . 19544 2 170 . 2 2 12 12 G H5' H 1 3.458 0.011 . 2 . . . B 9 G H5' . 19544 2 171 . 2 2 12 12 G H5'' H 1 2.550 0.013 . 2 . . . B 9 G H5'' . 19544 2 172 . 2 2 12 12 G H8 H 1 8.625 0.011 . 1 . . . B 9 G H8 . 19544 2 173 . 2 2 12 12 G C1' C 13 88.609 0.061 . 1 . . . B 9 G C1' . 19544 2 174 . 2 2 12 12 G C2' C 13 79.241 0.018 . 1 . . . B 9 G C2' . 19544 2 175 . 2 2 12 12 G C3' C 13 79.177 0.084 . 1 . . . B 9 G C3' . 19544 2 176 . 2 2 12 12 G C4' C 13 87.601 0.047 . 1 . . . B 9 G C4' . 19544 2 177 . 2 2 12 12 G C5' C 13 67.354 0.063 . 1 . . . B 9 G C5' . 19544 2 178 . 2 2 12 12 G C8 C 13 141.899 0.063 . 1 . . . B 9 G C8 . 19544 2 179 . 2 2 12 12 G N1 N 15 146.178 0.000 . 1 . . . B 9 G N1 . 19544 2 180 . 2 2 13 13 A H1' H 1 6.533 0.007 . 1 . . . B 10 A H1' . 19544 2 181 . 2 2 13 13 A H2 H 1 8.620 0.011 . 1 . . . B 10 A H2 . 19544 2 182 . 2 2 13 13 A H2' H 1 4.504 0.006 . 1 . . . B 10 A H2' . 19544 2 183 . 2 2 13 13 A H3' H 1 5.171 0.017 . 1 . . . B 10 A H3' . 19544 2 184 . 2 2 13 13 A H4' H 1 4.583 0.009 . 1 . . . B 10 A H4' . 19544 2 185 . 2 2 13 13 A H5' H 1 4.451 0.008 . 2 . . . B 10 A H5' . 19544 2 186 . 2 2 13 13 A H5'' H 1 4.211 0.024 . 2 . . . B 10 A H5'' . 19544 2 187 . 2 2 13 13 A H8 H 1 8.986 0.013 . 1 . . . B 10 A H8 . 19544 2 188 . 2 2 13 13 A C1' C 13 89.820 0.056 . 1 . . . B 10 A C1' . 19544 2 189 . 2 2 13 13 A C2 C 13 157.058 0.059 . 1 . . . B 10 A C2 . 19544 2 190 . 2 2 13 13 A C2' C 13 78.809 0.027 . 1 . . . B 10 A C2' . 19544 2 191 . 2 2 13 13 A C3' C 13 75.970 0.037 . 1 . . . B 10 A C3' . 19544 2 192 . 2 2 13 13 A C4' C 13 81.920 0.071 . 1 . . . B 10 A C4' . 19544 2 193 . 2 2 13 13 A C5' C 13 68.576 0.074 . 1 . . . B 10 A C5' . 19544 2 194 . 2 2 13 13 A C8 C 13 142.040 0.042 . 1 . . . B 10 A C8 . 19544 2 195 . 2 2 14 14 U H1' H 1 5.872 0.007 . 1 . . . B 11 U H1' . 19544 2 196 . 2 2 14 14 U H2' H 1 4.379 0.006 . 1 . . . B 11 U H2' . 19544 2 197 . 2 2 14 14 U H3' H 1 4.603 0.014 . 1 . . . B 11 U H3' . 19544 2 198 . 2 2 14 14 U H4' H 1 4.315 0.008 . 1 . . . B 11 U H4' . 19544 2 199 . 2 2 14 14 U H5 H 1 5.931 0.012 . 1 . . . B 11 U H5 . 19544 2 200 . 2 2 14 14 U H5' H 1 4.191 0.007 . 2 . . . B 11 U H5' . 19544 2 201 . 2 2 14 14 U H5'' H 1 4.165 0.008 . 2 . . . B 11 U H5'' . 19544 2 202 . 2 2 14 14 U H6 H 1 7.765 0.009 . 1 . . . B 11 U H6 . 19544 2 203 . 2 2 14 14 U C1' C 13 91.877 0.148 . 1 . . . B 11 U C1' . 19544 2 204 . 2 2 14 14 U C2' C 13 75.985 0.084 . 1 . . . B 11 U C2' . 19544 2 205 . 2 2 14 14 U C3' C 13 76.976 0.048 . 1 . . . B 11 U C3' . 19544 2 206 . 2 2 14 14 U C4' C 13 84.608 0.054 . 1 . . . B 11 U C4' . 19544 2 207 . 2 2 14 14 U C5 C 13 105.140 0.014 . 1 . . . B 11 U C5 . 19544 2 208 . 2 2 14 14 U C5' C 13 68.458 0.036 . 1 . . . B 11 U C5' . 19544 2 209 . 2 2 14 14 U C6 C 13 144.282 0.041 . 1 . . . B 11 U C6 . 19544 2 210 . 2 2 15 15 A H1' H 1 4.836 0.013 . 1 . . . B 12 A H1' . 19544 2 211 . 2 2 15 15 A H2 H 1 8.258 0.007 . 1 . . . B 12 A H2 . 19544 2 212 . 2 2 15 15 A H2' H 1 4.377 0.012 . 1 . . . B 12 A H2' . 19544 2 213 . 2 2 15 15 A H3' H 1 4.519 0.008 . 1 . . . B 12 A H3' . 19544 2 214 . 2 2 15 15 A H4' H 1 4.518 0.004 . 1 . . . B 12 A H4' . 19544 2 215 . 2 2 15 15 A H5' H 1 4.223 0.017 . 2 . . . B 12 A H5' . 19544 2 216 . 2 2 15 15 A H5'' H 1 4.175 0.005 . 2 . . . B 12 A H5'' . 19544 2 217 . 2 2 15 15 A H8 H 1 8.117 0.008 . 1 . . . B 12 A H8 . 19544 2 218 . 2 2 15 15 A C1' C 13 92.338 0.037 . 1 . . . B 12 A C1' . 19544 2 219 . 2 2 15 15 A C2 C 13 154.636 0.045 . 1 . . . B 12 A C2 . 19544 2 220 . 2 2 15 15 A C2' C 13 76.009 0.074 . 1 . . . B 12 A C2' . 19544 2 221 . 2 2 15 15 A C3' C 13 73.475 0.105 . 1 . . . B 12 A C3' . 19544 2 222 . 2 2 15 15 A C4' C 13 82.842 0.046 . 1 . . . B 12 A C4' . 19544 2 223 . 2 2 15 15 A C5' C 13 66.530 0.027 . 1 . . . B 12 A C5' . 19544 2 224 . 2 2 15 15 A C8 C 13 140.588 0.055 . 1 . . . B 12 A C8 . 19544 2 225 . 2 2 16 16 G H1 H 1 11.958 0.010 . 1 . . . B 13 G H1 . 19544 2 226 . 2 2 16 16 G H1' H 1 5.591 0.005 . 1 . . . B 13 G H1' . 19544 2 227 . 2 2 16 16 G H2' H 1 4.711 0.008 . 1 . . . B 13 G H2' . 19544 2 228 . 2 2 16 16 G H3' H 1 4.511 0.008 . 1 . . . B 13 G H3' . 19544 2 229 . 2 2 16 16 G H4' H 1 4.494 0.006 . 1 . . . B 13 G H4' . 19544 2 230 . 2 2 16 16 G H5' H 1 4.449 0.000 . 2 . . . B 13 G H5' . 19544 2 231 . 2 2 16 16 G H5'' H 1 4.068 0.000 . 2 . . . B 13 G H5'' . 19544 2 232 . 2 2 16 16 G H8 H 1 6.678 0.008 . 1 . . . B 13 G H8 . 19544 2 233 . 2 2 16 16 G C1' C 13 93.698 0.041 . 1 . . . B 13 G C1' . 19544 2 234 . 2 2 16 16 G C2' C 13 74.891 0.023 . 1 . . . B 13 G C2' . 19544 2 235 . 2 2 16 16 G C3' C 13 73.373 0.083 . 1 . . . B 13 G C3' . 19544 2 236 . 2 2 16 16 G C4' C 13 82.865 0.073 . 1 . . . B 13 G C4' . 19544 2 237 . 2 2 16 16 G C5' C 13 67.486 0.019 . 1 . . . B 13 G C5' . 19544 2 238 . 2 2 16 16 G C8 C 13 136.316 0.027 . 1 . . . B 13 G C8 . 19544 2 239 . 2 2 16 16 G N1 N 15 146.399 0.000 . 1 . . . B 13 G N1 . 19544 2 240 . 2 2 17 17 A H1' H 1 5.976 0.006 . 1 . . . B 14 A H1' . 19544 2 241 . 2 2 17 17 A H2 H 1 7.648 0.007 . 1 . . . B 14 A H2 . 19544 2 242 . 2 2 17 17 A H2' H 1 4.533 0.013 . 1 . . . B 14 A H2' . 19544 2 243 . 2 2 17 17 A H3' H 1 4.714 0.002 . 1 . . . B 14 A H3' . 19544 2 244 . 2 2 17 17 A H4' H 1 4.508 0.006 . 1 . . . B 14 A H4' . 19544 2 245 . 2 2 17 17 A H5' H 1 4.529 0.000 . 2 . . . B 14 A H5' . 19544 2 246 . 2 2 17 17 A H8 H 1 7.921 0.015 . 1 . . . B 14 A H8 . 19544 2 247 . 2 2 17 17 A C1' C 13 93.072 0.060 . 1 . . . B 14 A C1' . 19544 2 248 . 2 2 17 17 A C2 C 13 153.912 0.027 . 1 . . . B 14 A C2 . 19544 2 249 . 2 2 17 17 A C2' C 13 75.468 0.084 . 1 . . . B 14 A C2' . 19544 2 250 . 2 2 17 17 A C3' C 13 72.582 0.030 . 1 . . . B 14 A C3' . 19544 2 251 . 2 2 17 17 A C4' C 13 82.251 0.075 . 1 . . . B 14 A C4' . 19544 2 252 . 2 2 17 17 A C5' C 13 64.839 0.000 . 1 . . . B 14 A C5' . 19544 2 253 . 2 2 17 17 A C8 C 13 139.937 0.054 . 1 . . . B 14 A C8 . 19544 2 254 . 2 2 18 18 C H1' H 1 5.409 0.016 . 1 . . . B 15 C H1' . 19544 2 255 . 2 2 18 18 C H2' H 1 4.282 0.000 . 1 . . . B 15 C H2' . 19544 2 256 . 2 2 18 18 C H3' H 1 4.496 0.003 . 1 . . . B 15 C H3' . 19544 2 257 . 2 2 18 18 C H4' H 1 4.378 0.006 . 1 . . . B 15 C H4' . 19544 2 258 . 2 2 18 18 C H5 H 1 5.109 0.013 . 1 . . . B 15 C H5 . 19544 2 259 . 2 2 18 18 C H5' H 1 4.447 0.005 . 2 . . . B 15 C H5' . 19544 2 260 . 2 2 18 18 C H5'' H 1 4.021 0.000 . 2 . . . B 15 C H5'' . 19544 2 261 . 2 2 18 18 C H6 H 1 7.547 0.007 . 1 . . . B 15 C H6 . 19544 2 262 . 2 2 18 18 C H41 H 1 8.244 0.009 . 2 . . . B 15 C H41 . 19544 2 263 . 2 2 18 18 C H42 H 1 6.732 0.006 . 2 . . . B 15 C H42 . 19544 2 264 . 2 2 18 18 C C1' C 13 93.820 0.082 . 1 . . . B 15 C C1' . 19544 2 265 . 2 2 18 18 C C2' C 13 75.694 0.000 . 1 . . . B 15 C C2' . 19544 2 266 . 2 2 18 18 C C3' C 13 72.630 0.025 . 1 . . . B 15 C C3' . 19544 2 267 . 2 2 18 18 C C4' C 13 81.881 0.044 . 1 . . . B 15 C C4' . 19544 2 268 . 2 2 18 18 C C5 C 13 97.230 0.039 . 1 . . . B 15 C C5 . 19544 2 269 . 2 2 18 18 C C5' C 13 64.661 0.011 . 1 . . . B 15 C C5' . 19544 2 270 . 2 2 18 18 C C6 C 13 141.086 0.089 . 1 . . . B 15 C C6 . 19544 2 271 . 2 2 19 19 A H1' H 1 5.928 0.007 . 1 . . . B 16 A H1' . 19544 2 272 . 2 2 19 19 A H2 H 1 7.529 0.007 . 1 . . . B 16 A H2 . 19544 2 273 . 2 2 19 19 A H2' H 1 4.494 0.010 . 1 . . . B 16 A H2' . 19544 2 274 . 2 2 19 19 A H3' H 1 4.686 0.012 . 1 . . . B 16 A H3' . 19544 2 275 . 2 2 19 19 A H4' H 1 4.459 0.004 . 1 . . . B 16 A H4' . 19544 2 276 . 2 2 19 19 A H5' H 1 4.570 0.011 . 2 . . . B 16 A H5' . 19544 2 277 . 2 2 19 19 A H5'' H 1 4.138 0.013 . 2 . . . B 16 A H5'' . 19544 2 278 . 2 2 19 19 A H8 H 1 8.099 0.013 . 1 . . . B 16 A H8 . 19544 2 279 . 2 2 19 19 A C1' C 13 92.849 0.033 . 1 . . . B 16 A C1' . 19544 2 280 . 2 2 19 19 A C2 C 13 153.895 0.055 . 1 . . . B 16 A C2 . 19544 2 281 . 2 2 19 19 A C2' C 13 75.476 0.044 . 1 . . . B 16 A C2' . 19544 2 282 . 2 2 19 19 A C3' C 13 72.637 0.035 . 1 . . . B 16 A C3' . 19544 2 283 . 2 2 19 19 A C4' C 13 82.148 0.105 . 1 . . . B 16 A C4' . 19544 2 284 . 2 2 19 19 A C5' C 13 64.920 0.199 . 1 . . . B 16 A C5' . 19544 2 285 . 2 2 19 19 A C8 C 13 139.828 0.028 . 1 . . . B 16 A C8 . 19544 2 286 . 2 2 20 20 C H1' H 1 5.456 0.007 . 1 . . . B 17 C H1' . 19544 2 287 . 2 2 20 20 C H2' H 1 4.168 0.008 . 1 . . . B 17 C H2' . 19544 2 288 . 2 2 20 20 C H3' H 1 4.390 0.006 . 1 . . . B 17 C H3' . 19544 2 289 . 2 2 20 20 C H4' H 1 4.369 0.010 . 1 . . . B 17 C H4' . 19544 2 290 . 2 2 20 20 C H5 H 1 5.171 0.005 . 1 . . . B 17 C H5 . 19544 2 291 . 2 2 20 20 C H5' H 1 4.490 0.023 . 2 . . . B 17 C H5' . 19544 2 292 . 2 2 20 20 C H5'' H 1 4.030 0.010 . 2 . . . B 17 C H5'' . 19544 2 293 . 2 2 20 20 C H6 H 1 7.638 0.009 . 1 . . . B 17 C H6 . 19544 2 294 . 2 2 20 20 C H41 H 1 8.325 0.002 . 2 . . . B 17 C H41 . 19544 2 295 . 2 2 20 20 C H42 H 1 6.754 0.009 . 2 . . . B 17 C H42 . 19544 2 296 . 2 2 20 20 C C1' C 13 93.948 0.115 . 1 . . . B 17 C C1' . 19544 2 297 . 2 2 20 20 C C2' C 13 75.680 0.080 . 1 . . . B 17 C C2' . 19544 2 298 . 2 2 20 20 C C3' C 13 72.321 0.065 . 1 . . . B 17 C C3' . 19544 2 299 . 2 2 20 20 C C4' C 13 81.978 0.008 . 1 . . . B 17 C C4' . 19544 2 300 . 2 2 20 20 C C5 C 13 97.033 0.061 . 1 . . . B 17 C C5 . 19544 2 301 . 2 2 20 20 C C5' C 13 64.675 0.078 . 1 . . . B 17 C C5' . 19544 2 302 . 2 2 20 20 C C6 C 13 141.288 0.103 . 1 . . . B 17 C C6 . 19544 2 303 . 2 2 21 21 C H1' H 1 5.472 0.017 . 1 . . . B 18 C H1' . 19544 2 304 . 2 2 21 21 C H2' H 1 4.205 0.010 . 1 . . . B 18 C H2' . 19544 2 305 . 2 2 21 21 C H3' H 1 4.449 0.007 . 1 . . . B 18 C H3' . 19544 2 306 . 2 2 21 21 C H4' H 1 4.348 0.013 . 1 . . . B 18 C H4' . 19544 2 307 . 2 2 21 21 C H5 H 1 5.385 0.003 . 1 . . . B 18 C H5 . 19544 2 308 . 2 2 21 21 C H5' H 1 4.498 0.008 . 2 . . . B 18 C H5' . 19544 2 309 . 2 2 21 21 C H5'' H 1 4.033 0.008 . 2 . . . B 18 C H5'' . 19544 2 310 . 2 2 21 21 C H6 H 1 7.751 0.012 . 1 . . . B 18 C H6 . 19544 2 311 . 2 2 21 21 C H41 H 1 8.395 0.003 . 2 . . . B 18 C H41 . 19544 2 312 . 2 2 21 21 C H42 H 1 6.689 0.014 . 2 . . . B 18 C H42 . 19544 2 313 . 2 2 21 21 C C2' C 13 75.750 0.039 . 1 . . . B 18 C C2' . 19544 2 314 . 2 2 21 21 C C3' C 13 72.303 0.051 . 1 . . . B 18 C C3' . 19544 2 315 . 2 2 21 21 C C4' C 13 82.076 0.106 . 1 . . . B 18 C C4' . 19544 2 316 . 2 2 21 21 C C5 C 13 97.602 0.036 . 1 . . . B 18 C C5 . 19544 2 317 . 2 2 21 21 C C5' C 13 64.603 0.088 . 1 . . . B 18 C C5' . 19544 2 318 . 2 2 21 21 C C6 C 13 141.688 0.000 . 1 . . . B 18 C C6 . 19544 2 319 . 2 2 22 22 C H1' H 1 5.750 0.001 . 1 . . . B 19 C H1' . 19544 2 320 . 2 2 22 22 C H2' H 1 3.982 0.005 . 1 . . . B 19 C H2' . 19544 2 321 . 2 2 22 22 C H3' H 1 4.159 0.001 . 1 . . . B 19 C H3' . 19544 2 322 . 2 2 22 22 C H4' H 1 4.151 0.002 . 1 . . . B 19 C H4' . 19544 2 323 . 2 2 22 22 C H5 H 1 5.460 0.001 . 1 . . . B 19 C H5 . 19544 2 324 . 2 2 22 22 C H5' H 1 4.447 0.000 . 2 . . . B 19 C H5' . 19544 2 325 . 2 2 22 22 C H5'' H 1 4.005 0.000 . 2 . . . B 19 C H5'' . 19544 2 326 . 2 2 22 22 C H6 H 1 7.661 0.007 . 1 . . . B 19 C H6 . 19544 2 327 . 2 2 22 22 C H41 H 1 8.405 0.011 . 2 . . . B 19 C H41 . 19544 2 328 . 2 2 22 22 C H42 H 1 6.703 0.000 . 2 . . . B 19 C H42 . 19544 2 329 . 2 2 22 22 C C1' C 13 92.958 0.000 . 1 . . . B 19 C C1' . 19544 2 330 . 2 2 22 22 C C2' C 13 77.666 0.000 . 1 . . . B 19 C C2' . 19544 2 331 . 2 2 22 22 C C3' C 13 70.049 0.019 . 1 . . . B 19 C C3' . 19544 2 332 . 2 2 22 22 C C4' C 13 83.820 0.013 . 1 . . . B 19 C C4' . 19544 2 333 . 2 2 22 22 C C5 C 13 98.084 0.022 . 1 . . . B 19 C C5 . 19544 2 334 . 2 2 22 22 C C5' C 13 65.189 0.001 . 1 . . . B 19 C C5' . 19544 2 335 . 2 2 22 22 C C6 C 13 141.961 0.000 . 1 . . . B 19 C C6 . 19544 2 stop_ save_