data_15257 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15257 _Entry.Title ; Structural basis of RsmA/CsrA RNA recognition: Structure of RsmE bound to the Shine-Dalgarno sequence of hcnA mRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-21 _Entry.Accession_date 2007-05-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Structure of RsmE bound to the Shine-Dalgarno sequence of hcnA mRNA' _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 Mario Schubert . . . 15257 2 Karine Lapouge . . . 15257 3 Olivier Duss . . . 15257 4 Florian Oberstrass . C. . 15257 5 Ilian Jelesarov . . . 15257 6 Dieter Haas . . . 15257 7 Frederic Allain . H.-T. . 15257 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CsrA . 15257 PROTEIN/RNA . 15257 'RNA recognition' . 15257 RsmA . 15257 Shine-Dalgarno . 15257 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15257 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 15257 '15N chemical shifts' 77 15257 '1H chemical shifts' 625 15257 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 . . 2011-06-28 2007-05-21 update author 'update chemical shift table' 15257 1 . . 2007-09-12 2007-05-21 original author 'original release' 15257 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JPP 'BMRB Entry Tracking System' 15257 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15257 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17704818 _Citation.Full_citation . _Citation.Title 'Molecular basis of messenger RNA recognition by the specific bacterial repressing clamp RsmA/CsrA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 807 _Citation.Page_last 813 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mario Schubert . . . 15257 1 2 Karine Lapouge . . . 15257 1 3 Olivier Duss . . . 15257 1 4 Florian Oberstrass . C. . 15257 1 5 Ilian Jelesarov . . . 15257 1 6 Dieter Haas . . . 15257 1 7 Frederic Allain . H.-T. . 15257 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15257 _Assembly.ID 1 _Assembly.Name 'RsmE dimer with two RNA stem loops' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'RsmE dimer with two bound RNA stem loops' _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 '20 mer, 1' 1 $hncA_mRNA_SD_20mer C . yes native no no . . . 15257 1 2 '20 mer, 2' 1 $hncA_mRNA_SD_20mer D . yes native no no . . . 15257 1 3 'RsmE A' 2 $RsmE A . yes native no no . . . 15257 1 4 'RsmE B' 2 $RsmE B . yes native no no . . . 15257 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hncA_mRNA_SD_20mer _Entity.Sf_category entity _Entity.Sf_framecode hncA_mRNA_SD_20mer _Entity.Entry_ID 15257 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hncA_mRNA_SD_20mer _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGCUUCACGGAUGAAGCCC ; _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 20 _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 6437.938 _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 1 101 G . 15257 1 2 102 G . 15257 1 3 103 G . 15257 1 4 104 C . 15257 1 5 105 U . 15257 1 6 106 U . 15257 1 7 107 C . 15257 1 8 108 A . 15257 1 9 109 C . 15257 1 10 110 G . 15257 1 11 111 G . 15257 1 12 112 A . 15257 1 13 113 U . 15257 1 14 114 G . 15257 1 15 115 A . 15257 1 16 116 A . 15257 1 17 117 G . 15257 1 18 118 C . 15257 1 19 119 C . 15257 1 20 120 C . 15257 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 . G 1 1 15257 1 . G 2 2 15257 1 . G 3 3 15257 1 . C 4 4 15257 1 . U 5 5 15257 1 . U 6 6 15257 1 . C 7 7 15257 1 . A 8 8 15257 1 . C 9 9 15257 1 . G 10 10 15257 1 . G 11 11 15257 1 . A 12 12 15257 1 . U 13 13 15257 1 . G 14 14 15257 1 . A 15 15 15257 1 . A 16 16 15257 1 . G 17 17 15257 1 . C 18 18 15257 1 . C 19 19 15257 1 . C 20 20 15257 1 stop_ save_ save_RsmE _Entity.Sf_category entity _Entity.Sf_framecode RsmE _Entity.Entry_ID 15257 _Entity.ID 2 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLILTRKVGESINIGDDITI TILGVSGQQVRIGINAPKDV AVHREEIYQRIQAGLTAPDK RETPHHHHHH ; _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 70 _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 5851.832 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19534 . RsmE . . . . . 84.29 59 100.00 100.00 3.09e-32 . . . . 15257 2 2 no BMRB 19544 . RsmE . . . . . 92.86 65 100.00 100.00 3.15e-37 . . . . 15257 2 3 no BMRB 19546 . RsmE . . . . . 92.86 65 100.00 100.00 3.15e-37 . . . . 15257 2 4 no BMRB 19547 . RsmE . . . . . 92.86 65 100.00 100.00 3.15e-37 . . . . 15257 2 5 no BMRB 19548 . RsmE . . . . . 92.86 65 100.00 100.00 3.15e-37 . . . . 15257 2 6 no BMRB 19549 . RsmE . . . . . 92.86 65 100.00 100.00 3.15e-37 . . . . 15257 2 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 3.87e-41 . . . . 15257 2 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 3.87e-41 . . . . 15257 2 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 3.87e-41 . . . . 15257 2 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 3.87e-41 . . . . 15257 2 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 3.87e-41 . . . . 15257 2 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 3.87e-41 . . . . 15257 2 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 3.87e-41 . . . . 15257 2 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 3.87e-41 . . . . 15257 2 15 no DBJ BAO61455 . "carbon storage regulator [Pseudomonas protegens Cab57]" . . . . . 91.43 64 100.00 100.00 2.17e-36 . . . . 15257 2 16 no DBJ BAQ73744 . "translational regulator RsmE [Pseudomonas sp. Os17]" . . . . . 91.43 64 98.44 100.00 9.21e-36 . . . . 15257 2 17 no DBJ BAQ80031 . "translational regulator RsmE [Pseudomonas sp. St29]" . . . . . 91.43 64 98.44 100.00 9.21e-36 . . . . 15257 2 18 no GB AAT27429 . "translational repressor [Pseudomonas protegens]" . . . . . 91.43 64 100.00 100.00 2.17e-36 . . . . 15257 2 19 no GB AAY91370 . "translational regulator RsmE [Pseudomonas protegens Pf-5]" . . . . . 91.43 64 100.00 100.00 2.17e-36 . . . . 15257 2 20 no GB AEL31265 . "RsmE [Pseudomonas chlororaphis]" . . . . . 91.43 64 100.00 100.00 2.17e-36 . . . . 15257 2 21 no GB AGL83913 . "carbon storage regulator [Pseudomonas protegens CHA0]" . . . . . 91.43 77 100.00 100.00 1.55e-36 . . . . 15257 2 22 no GB AIC19187 . "carbon storage regulator CsrA [Pseudomonas chlororaphis]" . . . . . 91.43 64 100.00 100.00 2.17e-36 . . . . 15257 2 23 no REF WP_007920550 . "MULTISPECIES: carbon storage regulator [Pseudomonas]" . . . . . 91.43 64 100.00 100.00 2.17e-36 . . . . 15257 2 24 no REF WP_017337657 . "MULTISPECIES: carbon storage regulator [Pseudomonas]" . . . . . 85.71 63 100.00 100.00 6.40e-33 . . . . 15257 2 25 no REF WP_045057924 . "carbon storage regulator [Pseudomonas sp. ES3-33]" . . . . . 85.71 63 100.00 100.00 6.00e-33 . . . . 15257 2 26 no REF WP_057444113 . "carbon storage regulator CsrA [Pseudomonas fluorescens]" . . . . . 85.71 70 100.00 100.00 1.12e-32 . . . . 15257 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15257 2 2 . LEU . 15257 2 3 . ILE . 15257 2 4 . LEU . 15257 2 5 . THR . 15257 2 6 . ARG . 15257 2 7 . LYS . 15257 2 8 . VAL . 15257 2 9 . GLY . 15257 2 10 . GLU . 15257 2 11 . SER . 15257 2 12 . ILE . 15257 2 13 . ASN . 15257 2 14 . ILE . 15257 2 15 . GLY . 15257 2 16 . ASP . 15257 2 17 . ASP . 15257 2 18 . ILE . 15257 2 19 . THR . 15257 2 20 . ILE . 15257 2 21 . THR . 15257 2 22 . ILE . 15257 2 23 . LEU . 15257 2 24 . GLY . 15257 2 25 . VAL . 15257 2 26 . SER . 15257 2 27 . GLY . 15257 2 28 . GLN . 15257 2 29 . GLN . 15257 2 30 . VAL . 15257 2 31 . ARG . 15257 2 32 . ILE . 15257 2 33 . GLY . 15257 2 34 . ILE . 15257 2 35 . ASN . 15257 2 36 . ALA . 15257 2 37 . PRO . 15257 2 38 . LYS . 15257 2 39 . ASP . 15257 2 40 . VAL . 15257 2 41 . ALA . 15257 2 42 . VAL . 15257 2 43 . HIS . 15257 2 44 . ARG . 15257 2 45 . GLU . 15257 2 46 . GLU . 15257 2 47 . ILE . 15257 2 48 . TYR . 15257 2 49 . GLN . 15257 2 50 . ARG . 15257 2 51 . ILE . 15257 2 52 . GLN . 15257 2 53 . ALA . 15257 2 54 . GLY . 15257 2 55 . LEU . 15257 2 56 . THR . 15257 2 57 . ALA . 15257 2 58 . PRO . 15257 2 59 . ASP . 15257 2 60 . LYS . 15257 2 61 . ARG . 15257 2 62 . GLU . 15257 2 63 . THR . 15257 2 64 . PRO . 15257 2 65 . HIS . 15257 2 66 . HIS . 15257 2 67 . HIS . 15257 2 68 . HIS . 15257 2 69 . HIS . 15257 2 70 . HIS . 15257 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 . MET 1 1 15257 2 . LEU 2 2 15257 2 . ILE 3 3 15257 2 . LEU 4 4 15257 2 . THR 5 5 15257 2 . ARG 6 6 15257 2 . LYS 7 7 15257 2 . VAL 8 8 15257 2 . GLY 9 9 15257 2 . GLU 10 10 15257 2 . SER 11 11 15257 2 . ILE 12 12 15257 2 . ASN 13 13 15257 2 . ILE 14 14 15257 2 . GLY 15 15 15257 2 . ASP 16 16 15257 2 . ASP 17 17 15257 2 . ILE 18 18 15257 2 . THR 19 19 15257 2 . ILE 20 20 15257 2 . THR 21 21 15257 2 . ILE 22 22 15257 2 . LEU 23 23 15257 2 . GLY 24 24 15257 2 . VAL 25 25 15257 2 . SER 26 26 15257 2 . GLY 27 27 15257 2 . GLN 28 28 15257 2 . GLN 29 29 15257 2 . VAL 30 30 15257 2 . ARG 31 31 15257 2 . ILE 32 32 15257 2 . GLY 33 33 15257 2 . ILE 34 34 15257 2 . ASN 35 35 15257 2 . ALA 36 36 15257 2 . PRO 37 37 15257 2 . LYS 38 38 15257 2 . ASP 39 39 15257 2 . VAL 40 40 15257 2 . ALA 41 41 15257 2 . VAL 42 42 15257 2 . HIS 43 43 15257 2 . ARG 44 44 15257 2 . GLU 45 45 15257 2 . GLU 46 46 15257 2 . ILE 47 47 15257 2 . TYR 48 48 15257 2 . GLN 49 49 15257 2 . ARG 50 50 15257 2 . ILE 51 51 15257 2 . GLN 52 52 15257 2 . ALA 53 53 15257 2 . GLY 54 54 15257 2 . LEU 55 55 15257 2 . THR 56 56 15257 2 . ALA 57 57 15257 2 . PRO 58 58 15257 2 . ASP 59 59 15257 2 . LYS 60 60 15257 2 . ARG 61 61 15257 2 . GLU 62 62 15257 2 . THR 63 63 15257 2 . PRO 64 64 15257 2 . HIS 65 65 15257 2 . HIS 66 66 15257 2 . HIS 67 67 15257 2 . HIS 68 68 15257 2 . HIS 69 69 15257 2 . HIS 70 70 15257 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 15257 _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 $hncA_mRNA_SD_20mer . 294 organism . 'Pseudomonas fluorescens' . . . Bacteria . Pseudomonas fluorescens . . . . . . . . . . . . . . . . . . ; Shine Dalgarno sequence of the hcnA mRNA extented by 4 additional G-C base pairs ; . . 15257 1 2 2 $RsmE . 294 organism . 'Pseudomonas fluorescens' . . . Bacteria . Pseudomonas fluorescens . . . . . . . . . . . . . . . . . . 'RsmE protein' . . 15257 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 15257 _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 $hncA_mRNA_SD_20mer . 'in vitro transcription' 'Pseudomonas fluorescens' . . . Pseudomonas fluorescens . . . . . . . . . . . . . 'DNA template' . . 'not applicable' . . . . . . 15257 1 2 2 $RsmE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)+RIL . . . . . . . . . . . . plasmid . . pET28a . . . . . . 15257 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15257 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N RsmE - unlabeled RNA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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]' . . 2 $RsmE . . 1 . . mM . . . . 15257 1 2 hncA_mRNA_SD_20mer 'natural abundance' . . 1 $hncA_mRNA_SD_20mer . . 1 . . mM . . . . 15257 1 3 H2O 'natural abundance' . . . . . . 97 . . % . . . . 15257 1 4 D2O . . . . . . . 3 . . % . . . . 15257 1 5 NaCl . . . . . . . 30 . . mM . . . . 15257 1 6 K2HPO4 . . . . . . . 50 . . mM . . . . 15257 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15257 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N/13C RsmE - unlabeled RNA' _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]' . . 2 $RsmE . . 1 . . mM . . . . 15257 2 2 hncA_mRNA_SD_20mer 'natural abundance' . . 1 $hncA_mRNA_SD_20mer . . 1 . . mM . . . . 15257 2 3 D2O . . . . . . . 100 . . % . . . . 15257 2 4 NaCl . . . . . . . 30 . . mM . . . . 15257 2 5 K2HPO4 . . . . . . . 50 . . mM . . . . 15257 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15257 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N/13C RsmE - unlabeled RNA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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]' . . 2 $RsmE . . 1 . . mM . . . . 15257 3 2 hncA_mRNA_SD_20mer 'natural abundance' . . 1 $hncA_mRNA_SD_20mer . . 1 . . mM . . . . 15257 3 3 H2O 'natural abundance' . . . . . . 97 . . % . . . . 15257 3 4 D2O . . . . . . . 3 . . % . . . . 15257 3 5 NaCl . . . . . . . 30 . . mM . . . . 15257 3 6 K2HPO4 . . . . . . . 50 . . mM . . . . 15257 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15257 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N RsmE - unlabelled RNA' _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]' . . 2 $RsmE . . 1 . . mM . . . . 15257 4 2 hncA_mRNA_SD_20mer 'natural abundance' . . 1 $hncA_mRNA_SD_20mer . . 1 . . mM . . . . 15257 4 3 D2O . . . . . . . 100 . . % . . . . 15257 4 4 NaCl . . . . . . . 30 . . mM . . . . 15257 4 5 K2HPO4 . . . . . . . 50 . . mM . . . . 15257 4 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 15257 _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 15257 1 pH 7.2 . pH 15257 1 pressure 1 . atm 15257 1 temperature 313.15 . K 15257 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15257 _Software.ID 1 _Software.Name AMBER _Software.Version 7.0 _Software.Details 'using implicit water' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . 15257 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15257 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 15257 _Software.ID 2 _Software.Name DYANA _Software.Version 3.02 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 15257 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15257 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15257 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15257 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15257 3 'data analysis' 15257 3 stop_ save_ save_CCP4 _Software.Sf_category software _Software.Sf_framecode CCP4 _Software.Entry_ID 15257 _Software.ID 4 _Software.Name CCP4 _Software.Version . _Software.Details ; rename chains, superpose molecules ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'CCP4 Executuve Committee' . . 15257 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'rename chains' 15257 4 'superpose ensemble' 15257 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 15257 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 15257 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15257 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15257 _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 15257 _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 1 500 Bruker DMX . 500 . . . 15257 1 2 600 Bruker DMX . 600 . . . 15257 1 3 750 Bruker DMX . 750 . . . 15257 1 4 900 Bruker Avance . 900 . . . 15257 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 15257 _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 . . . . . . . . . . . . . . . . . . . . . 15257 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 1 4 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 1 5 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 1 6 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 1 8 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 1 12 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15257 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 15257 _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 . indirect 0.251449530 . . . . . . . . . 15257 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15257 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15257 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 15257 _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' . . . 15257 1 3 '3D CBCA(CO)NH' . . . 15257 1 4 '3D HNCA' . . . 15257 1 8 '3D H(CCO)NH' . . . 15257 1 10 '2D 1H-13C HSQC' . . . 15257 1 12 '3D HN(CO)CA' . . . 15257 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 G H1 H 1 12.675 0.010 . 1 . . . . 101 G H1 . 15257 1 2 . 1 1 1 1 G H1' H 1 5.792 0.010 . 1 . . . . 101 G H1' . 15257 1 3 . 1 1 1 1 G H2' H 1 4.879 0.010 . 1 . . . . 101 G H2' . 15257 1 4 . 1 1 1 1 G H3' H 1 4.684 0.010 . 1 . . . . 101 G H3' . 15257 1 5 . 1 1 1 1 G H4' H 1 4.223 0.010 . 1 . . . . 101 G H4' . 15257 1 6 . 1 1 1 1 G H5' H 1 4.484 0.010 . 2 . . . . 101 G H5' . 15257 1 7 . 1 1 1 1 G H5'' H 1 4.055 0.010 . 2 . . . . 101 G H5'' . 15257 1 8 . 1 1 1 1 G H8 H 1 8.136 0.010 . 1 . . . . 101 G H8 . 15257 1 9 . 1 1 1 1 G C1' C 13 91.017 0.100 . 1 . . . . 101 G C1' . 15257 1 10 . 1 1 1 1 G C2' C 13 75.389 0.100 . 1 . . . . 101 G C2' . 15257 1 11 . 1 1 1 1 G C5' C 13 65.577 0.100 . 1 . . . . 101 G C5' . 15257 1 12 . 1 1 1 1 G C8 C 13 139.022 0.100 . 1 . . . . 101 G C8 . 15257 1 13 . 1 1 1 1 G N1 N 15 147.798 0.100 . 1 . . . . 101 G N1 . 15257 1 14 . 1 1 2 2 G H1 H 1 12.810 0.010 . 1 . . . . 102 G H1 . 15257 1 15 . 1 1 2 2 G H1' H 1 5.904 0.010 . 1 . . . . 102 G H1' . 15257 1 16 . 1 1 2 2 G H2' H 1 4.689 0.010 . 1 . . . . 102 G H2' . 15257 1 17 . 1 1 2 2 G H3' H 1 4.548 0.010 . 1 . . . . 102 G H3' . 15257 1 18 . 1 1 2 2 G H4' H 1 4.559 0.010 . 1 . . . . 102 G H4' . 15257 1 19 . 1 1 2 2 G H5' H 1 4.493 0.010 . 2 . . . . 102 G H5' . 15257 1 20 . 1 1 2 2 G H5'' H 1 4.233 0.010 . 2 . . . . 102 G H5'' . 15257 1 21 . 1 1 2 2 G H8 H 1 7.528 0.010 . 1 . . . . 102 G H8 . 15257 1 22 . 1 1 2 2 G C1' C 13 92.790 0.100 . 1 . . . . 102 G C1' . 15257 1 23 . 1 1 2 2 G C2' C 13 75.520 0.100 . 1 . . . . 102 G C2' . 15257 1 24 . 1 1 2 2 G C3' C 13 72.824 0.100 . 1 . . . . 102 G C3' . 15257 1 25 . 1 1 2 2 G C4' C 13 82.315 0.100 . 1 . . . . 102 G C4' . 15257 1 26 . 1 1 2 2 G C5' C 13 65.896 0.100 . 1 . . . . 102 G C5' . 15257 1 27 . 1 1 2 2 G C8 C 13 136.452 0.100 . 1 . . . . 102 G C8 . 15257 1 28 . 1 1 2 2 G N1 N 15 147.678 0.100 . 1 . . . . 102 G N1 . 15257 1 29 . 1 1 3 3 G H1 H 1 13.213 0.010 . 1 . . . . 103 G H1 . 15257 1 30 . 1 1 3 3 G H1' H 1 5.776 0.010 . 1 . . . . 103 G H1' . 15257 1 31 . 1 1 3 3 G H2' H 1 4.542 0.010 . 1 . . . . 103 G H2' . 15257 1 32 . 1 1 3 3 G H3' H 1 4.491 0.015 . 1 . . . . 103 G H3' . 15257 1 33 . 1 1 3 3 G H4' H 1 4.495 0.010 . 1 . . . . 103 G H4' . 15257 1 34 . 1 1 3 3 G H5' H 1 4.554 0.010 . 2 . . . . 103 G H5' . 15257 1 35 . 1 1 3 3 G H5'' H 1 4.093 0.010 . 2 . . . . 103 G H5'' . 15257 1 36 . 1 1 3 3 G H8 H 1 7.241 0.010 . 1 . . . . 103 G H8 . 15257 1 37 . 1 1 3 3 G C1' C 13 92.955 0.100 . 1 . . . . 103 G C1' . 15257 1 38 . 1 1 3 3 G C2' C 13 75.543 0.100 . 1 . . . . 103 G C2' . 15257 1 39 . 1 1 3 3 G C3' C 13 72.921 0.100 . 1 . . . . 103 G C3' . 15257 1 40 . 1 1 3 3 G C4' C 13 82.131 0.100 . 1 . . . . 103 G C4' . 15257 1 41 . 1 1 3 3 G C5' C 13 65.349 0.100 . 1 . . . . 103 G C5' . 15257 1 42 . 1 1 3 3 G C8 C 13 135.997 0.100 . 1 . . . . 103 G C8 . 15257 1 43 . 1 1 3 3 G N1 N 15 148.666 0.100 . 1 . . . . 103 G N1 . 15257 1 44 . 1 1 4 4 C H1' H 1 5.512 0.010 . 1 . . . . 104 C H1' . 15257 1 45 . 1 1 4 4 C H2' H 1 4.517 0.010 . 1 . . . . 104 C H2' . 15257 1 46 . 1 1 4 4 C H3' H 1 4.414 0.010 . 1 . . . . 104 C H3' . 15257 1 47 . 1 1 4 4 C H4' H 1 4.399 0.010 . 1 . . . . 104 C H4' . 15257 1 48 . 1 1 4 4 C H5 H 1 5.247 0.010 . 2 . . . . 104 C H5 . 15257 1 49 . 1 1 4 4 C H5'' H 1 4.065 0.010 . 2 . . . . 104 C H5'' . 15257 1 50 . 1 1 4 4 C H6 H 1 7.524 0.010 . 1 . . . . 104 C H6 . 15257 1 51 . 1 1 4 4 C H41 H 1 8.509 0.010 . 2 . . . . 104 C H41 . 15257 1 52 . 1 1 4 4 C H42 H 1 6.772 0.010 . 2 . . . . 104 C H42 . 15257 1 53 . 1 1 4 4 C C1' C 13 92.127 0.100 . 1 . . . . 104 C C1' . 15257 1 54 . 1 1 4 4 C C2' C 13 75.636 0.100 . 1 . . . . 104 C C2' . 15257 1 55 . 1 1 4 4 C C3' C 13 72.348 0.100 . 1 . . . . 104 C C3' . 15257 1 56 . 1 1 4 4 C C4' C 13 81.983 0.100 . 1 . . . . 104 C C4' . 15257 1 57 . 1 1 4 4 C C5 C 13 97.454 0.100 . 1 . . . . 104 C C5 . 15257 1 58 . 1 1 4 4 C C6 C 13 140.814 0.100 . 1 . . . . 104 C C6 . 15257 1 59 . 1 1 4 4 C N4 N 15 98.164 0.150 . 1 . . . . 104 C N4 . 15257 1 60 . 1 1 5 5 U H1' H 1 5.537 0.010 . 1 . . . . 105 U H1' . 15257 1 61 . 1 1 5 5 U H2' H 1 4.585 0.010 . 1 . . . . 105 U H2' . 15257 1 62 . 1 1 5 5 U H3 H 1 13.949 0.010 . 1 . . . . 105 U H3 . 15257 1 63 . 1 1 5 5 U H3' H 1 4.344 0.010 . 1 . . . . 105 U H3' . 15257 1 64 . 1 1 5 5 U H4' H 1 4.448 0.010 . 1 . . . . 105 U H4' . 15257 1 65 . 1 1 5 5 U H5 H 1 5.473 0.010 . 1 . . . . 105 U H5 . 15257 1 66 . 1 1 5 5 U H5' H 1 4.523 0.010 . 2 . . . . 105 U H5' . 15257 1 67 . 1 1 5 5 U H5'' H 1 4.067 0.010 . 2 . . . . 105 U H5'' . 15257 1 68 . 1 1 5 5 U H6 H 1 7.713 0.010 . 1 . . . . 105 U H6 . 15257 1 69 . 1 1 5 5 U C1' C 13 93.966 0.100 . 1 . . . . 105 U C1' . 15257 1 70 . 1 1 5 5 U C2' C 13 75.452 0.100 . 1 . . . . 105 U C2' . 15257 1 71 . 1 1 5 5 U C3' C 13 73.079 0.100 . 1 . . . . 105 U C3' . 15257 1 72 . 1 1 5 5 U C4' C 13 82.164 0.100 . 1 . . . . 105 U C4' . 15257 1 73 . 1 1 5 5 U C5 C 13 103.733 0.100 . 1 . . . . 105 U C5 . 15257 1 74 . 1 1 5 5 U C5' C 13 64.813 0.100 . 1 . . . . 105 U C5' . 15257 1 75 . 1 1 5 5 U C6 C 13 141.929 0.100 . 1 . . . . 105 U C6 . 15257 1 76 . 1 1 5 5 U N3 N 15 162.155 0.100 . 1 . . . . 105 U N3 . 15257 1 77 . 1 1 6 6 U H1' H 1 5.571 0.010 . 1 . . . . 106 U H1' . 15257 1 78 . 1 1 6 6 U H2' H 1 4.673 0.010 . 1 . . . . 106 U H2' . 15257 1 79 . 1 1 6 6 U H3 H 1 13.689 0.010 . 1 . . . . 106 U H3 . 15257 1 80 . 1 1 6 6 U H3' H 1 4.412 0.010 . 1 . . . . 106 U H3' . 15257 1 81 . 1 1 6 6 U H4' H 1 4.429 0.010 . 1 . . . . 106 U H4' . 15257 1 82 . 1 1 6 6 U H5 H 1 5.533 0.010 . 1 . . . . 106 U H5 . 15257 1 83 . 1 1 6 6 U H5' H 1 4.476 0.030 . 2 . . . . 106 U H5' . 15257 1 84 . 1 1 6 6 U H5'' H 1 4.092 0.010 . 2 . . . . 106 U H5'' . 15257 1 85 . 1 1 6 6 U H6 H 1 7.872 0.010 . 1 . . . . 106 U H6 . 15257 1 86 . 1 1 6 6 U C1' C 13 93.789 0.250 . 1 . . . . 106 U C1' . 15257 1 87 . 1 1 6 6 U C2' C 13 75.467 0.100 . 1 . . . . 106 U C2' . 15257 1 88 . 1 1 6 6 U C3' C 13 73.060 0.100 . 1 . . . . 106 U C3' . 15257 1 89 . 1 1 6 6 U C4' C 13 82.164 0.100 . 1 . . . . 106 U C4' . 15257 1 90 . 1 1 6 6 U C5 C 13 103.357 0.100 . 1 . . . . 106 U C5 . 15257 1 91 . 1 1 6 6 U C5' C 13 65.655 0.150 . 1 . . . . 106 U C5' . 15257 1 92 . 1 1 6 6 U C6 C 13 142.115 0.100 . 1 . . . . 106 U C6 . 15257 1 93 . 1 1 6 6 U N3 N 15 162.907 0.100 . 1 . . . . 106 U N3 . 15257 1 94 . 1 1 7 7 C H1' H 1 5.297 0.010 . 1 . . . . 107 C H1' . 15257 1 95 . 1 1 7 7 C H2' H 1 4.582 0.010 . 1 . . . . 107 C H2' . 15257 1 96 . 1 1 7 7 C H3' H 1 4.337 0.010 . 1 . . . . 107 C H3' . 15257 1 97 . 1 1 7 7 C H4' H 1 4.334 0.010 . 1 . . . . 107 C H4' . 15257 1 98 . 1 1 7 7 C H5 H 1 5.624 0.010 . 1 . . . . 107 C H5 . 15257 1 99 . 1 1 7 7 C H5' H 1 4.466 0.015 . 2 . . . . 107 C H5' . 15257 1 100 . 1 1 7 7 C H5'' H 1 4.108 0.015 . 2 . . . . 107 C H5'' . 15257 1 101 . 1 1 7 7 C H6 H 1 7.567 0.010 . 1 . . . . 107 C H6 . 15257 1 102 . 1 1 7 7 C H41 H 1 7.721 0.010 . 2 . . . . 107 C H41 . 15257 1 103 . 1 1 7 7 C H42 H 1 7.215 0.010 . 2 . . . . 107 C H42 . 15257 1 104 . 1 1 7 7 C C1' C 13 94.764 0.100 . 1 . . . . 107 C C1' . 15257 1 105 . 1 1 7 7 C C2' C 13 75.420 0.100 . 1 . . . . 107 C C2' . 15257 1 106 . 1 1 7 7 C C3' C 13 72.641 0.100 . 1 . . . . 107 C C3' . 15257 1 107 . 1 1 7 7 C C4' C 13 81.896 0.100 . 1 . . . . 107 C C4' . 15257 1 108 . 1 1 7 7 C C5 C 13 97.909 0.100 . 1 . . . . 107 C C5 . 15257 1 109 . 1 1 7 7 C C5' C 13 65.641 0.100 . 1 . . . . 107 C C5' . 15257 1 110 . 1 1 7 7 C C6 C 13 141.008 0.100 . 1 . . . . 107 C C6 . 15257 1 111 . 1 1 7 7 C N4 N 15 95.549 0.100 . 1 . . . . 107 C N4 . 15257 1 112 . 1 1 8 8 A H1' H 1 6.281 0.010 . 1 . . . . 108 A H1' . 15257 1 113 . 1 1 8 8 A H2 H 1 7.497 0.010 . 1 . . . . 108 A H2 . 15257 1 114 . 1 1 8 8 A H2' H 1 4.043 0.010 . 1 . . . . 108 A H2' . 15257 1 115 . 1 1 8 8 A H3' H 1 5.011 0.010 . 1 . . . . 108 A H3' . 15257 1 116 . 1 1 8 8 A H4' H 1 4.484 0.010 . 1 . . . . 108 A H4' . 15257 1 117 . 1 1 8 8 A H5' H 1 4.483 0.010 . 2 . . . . 108 A H5' . 15257 1 118 . 1 1 8 8 A H5'' H 1 4.156 0.023 . 2 . . . . 108 A H5'' . 15257 1 119 . 1 1 8 8 A H8 H 1 8.081 0.015 . 1 . . . . 108 A H8 . 15257 1 120 . 1 1 8 8 A C1' C 13 92.304 0.150 . 1 . . . . 108 A C1' . 15257 1 121 . 1 1 8 8 A C2 C 13 154.344 0.100 . 1 . . . . 108 A C2 . 15257 1 122 . 1 1 8 8 A C2' C 13 77.276 0.100 . 1 . . . . 108 A C2' . 15257 1 123 . 1 1 8 8 A C3' C 13 73.487 0.100 . 1 . . . . 108 A C3' . 15257 1 124 . 1 1 8 8 A C4' C 13 81.644 0.100 . 1 . . . . 108 A C4' . 15257 1 125 . 1 1 8 8 A C5' C 13 64.475 0.100 . 1 . . . . 108 A C5' . 15257 1 126 . 1 1 8 8 A C8 C 13 139.331 0.100 . 1 . . . . 108 A C8 . 15257 1 127 . 1 1 9 9 C H1' H 1 5.511 0.010 . 1 . . . . 109 C H1' . 15257 1 128 . 1 1 9 9 C H2' H 1 4.117 0.010 . 1 . . . . 109 C H2' . 15257 1 129 . 1 1 9 9 C H3' H 1 4.493 0.010 . 1 . . . . 109 C H3' . 15257 1 130 . 1 1 9 9 C H4' H 1 2.951 0.010 . 1 . . . . 109 C H4' . 15257 1 131 . 1 1 9 9 C H5 H 1 5.815 0.010 . 1 . . . . 109 C H5 . 15257 1 132 . 1 1 9 9 C H5' H 1 3.437 0.010 . 2 . . . . 109 C H5' . 15257 1 133 . 1 1 9 9 C H5'' H 1 3.116 0.010 . 2 . . . . 109 C H5'' . 15257 1 134 . 1 1 9 9 C H6 H 1 7.648 0.010 . 1 . . . . 109 C H6 . 15257 1 135 . 1 1 9 9 C C1' C 13 92.175 0.100 . 1 . . . . 109 C C1' . 15257 1 136 . 1 1 9 9 C C2' C 13 77.147 0.100 . 1 . . . . 109 C C2' . 15257 1 137 . 1 1 9 9 C C3' C 13 73.917 0.100 . 1 . . . . 109 C C3' . 15257 1 138 . 1 1 9 9 C C4' C 13 83.272 0.100 . 1 . . . . 109 C C4' . 15257 1 139 . 1 1 9 9 C C5 C 13 97.426 0.100 . 1 . . . . 109 C C5 . 15257 1 140 . 1 1 9 9 C C5' C 13 64.707 0.100 . 1 . . . . 109 C C5' . 15257 1 141 . 1 1 9 9 C C6 C 13 143.828 0.100 . 1 . . . . 109 C C6 . 15257 1 142 . 1 1 10 10 G H1' H 1 5.409 0.015 . 1 . . . . 110 G H1' . 15257 1 143 . 1 1 10 10 G H2' H 1 4.574 0.015 . 1 . . . . 110 G H2' . 15257 1 144 . 1 1 10 10 G H3' H 1 4.972 0.010 . 1 . . . . 110 G H3' . 15257 1 145 . 1 1 10 10 G H4' H 1 4.527 0.010 . 1 . . . . 110 G H4' . 15257 1 146 . 1 1 10 10 G H5' H 1 4.451 0.010 . 2 . . . . 110 G H5' . 15257 1 147 . 1 1 10 10 G H5'' H 1 4.038 0.010 . 2 . . . . 110 G H5'' . 15257 1 148 . 1 1 10 10 G H8 H 1 7.954 0.037 . 1 . . . . 110 G H8 . 15257 1 149 . 1 1 10 10 G C1' C 13 93.242 0.100 . 1 . . . . 110 G C1' . 15257 1 150 . 1 1 10 10 G C2' C 13 77.696 0.150 . 1 . . . . 110 G C2' . 15257 1 151 . 1 1 10 10 G C3' C 13 79.839 0.200 . 1 . . . . 110 G C3' . 15257 1 152 . 1 1 10 10 G C4' C 13 89.681 0.100 . 1 . . . . 110 G C4' . 15257 1 153 . 1 1 10 10 G C5' C 13 65.550 0.100 . 1 . . . . 110 G C5' . 15257 1 154 . 1 1 11 11 G H1 H 1 11.453 0.015 . 1 . . . . 111 G H1 . 15257 1 155 . 1 1 11 11 G H1' H 1 5.764 0.010 . 1 . . . . 111 G H1' . 15257 1 156 . 1 1 11 11 G H2' H 1 4.566 0.010 . 1 . . . . 111 G H2' . 15257 1 157 . 1 1 11 11 G H3' H 1 4.554 0.010 . 1 . . . . 111 G H3' . 15257 1 158 . 1 1 11 11 G H4' H 1 4.282 0.010 . 1 . . . . 111 G H4' . 15257 1 159 . 1 1 11 11 G H5' H 1 3.423 0.015 . 2 . . . . 111 G H5' . 15257 1 160 . 1 1 11 11 G H5'' H 1 2.566 0.010 . 2 . . . . 111 G H5'' . 15257 1 161 . 1 1 11 11 G H8 H 1 8.624 0.010 . 1 . . . . 111 G H8 . 15257 1 162 . 1 1 11 11 G H21 H 1 5.735 0.010 . 2 . . . . 111 G H21 . 15257 1 163 . 1 1 11 11 G C1' C 13 88.404 0.100 . 1 . . . . 111 G C1' . 15257 1 164 . 1 1 11 11 G C2' C 13 79.094 0.160 . 1 . . . . 111 G C2' . 15257 1 165 . 1 1 11 11 G C3' C 13 79.111 0.100 . 1 . . . . 111 G C3' . 15257 1 166 . 1 1 11 11 G C4' C 13 87.512 0.150 . 1 . . . . 111 G C4' . 15257 1 167 . 1 1 11 11 G C5' C 13 67.371 0.150 . 1 . . . . 111 G C5' . 15257 1 168 . 1 1 11 11 G C8 C 13 141.723 0.150 . 1 . . . . 111 G C8 . 15257 1 169 . 1 1 11 11 G N1 N 15 146.110 0.100 . 1 . . . . 111 G N1 . 15257 1 170 . 1 1 12 12 A H1' H 1 6.452 0.010 . 1 . . . . 112 A H1' . 15257 1 171 . 1 1 12 12 A H2 H 1 8.540 0.010 . 1 . . . . 112 A H2 . 15257 1 172 . 1 1 12 12 A H2' H 1 4.369 0.010 . 1 . . . . 112 A H2' . 15257 1 173 . 1 1 12 12 A H3' H 1 5.139 0.015 . 1 . . . . 112 A H3' . 15257 1 174 . 1 1 12 12 A H4' H 1 4.530 0.010 . 1 . . . . 112 A H4' . 15257 1 175 . 1 1 12 12 A H5' H 1 4.408 0.010 . 2 . . . . 112 A H5' . 15257 1 176 . 1 1 12 12 A H5'' H 1 4.234 0.010 . 2 . . . . 112 A H5'' . 15257 1 177 . 1 1 12 12 A H8 H 1 9.198 0.010 . 1 . . . . 112 A H8 . 15257 1 178 . 1 1 12 12 A C1' C 13 90.768 0.100 . 1 . . . . 112 A C1' . 15257 1 179 . 1 1 12 12 A C2 C 13 156.850 0.100 . 1 . . . . 112 A C2 . 15257 1 180 . 1 1 12 12 A C2' C 13 78.383 0.100 . 1 . . . . 112 A C2' . 15257 1 181 . 1 1 12 12 A C3' C 13 74.701 0.100 . 1 . . . . 112 A C3' . 15257 1 182 . 1 1 12 12 A C4' C 13 82.220 0.100 . 1 . . . . 112 A C4' . 15257 1 183 . 1 1 12 12 A C5' C 13 68.130 0.100 . 1 . . . . 112 A C5' . 15257 1 184 . 1 1 12 12 A C8 C 13 142.127 0.100 . 1 . . . . 112 A C8 . 15257 1 185 . 1 1 13 13 U H1' H 1 5.881 0.010 . 1 . . . . 113 U H1' . 15257 1 186 . 1 1 13 13 U H2' H 1 4.282 0.010 . 1 . . . . 113 U H2' . 15257 1 187 . 1 1 13 13 U H3' H 1 4.490 0.010 . 1 . . . . 113 U H3' . 15257 1 188 . 1 1 13 13 U H4' H 1 4.243 0.010 . 1 . . . . 113 U H4' . 15257 1 189 . 1 1 13 13 U H5 H 1 5.912 0.010 . 1 . . . . 113 U H5 . 15257 1 190 . 1 1 13 13 U H5' H 1 4.237 0.010 . 2 . . . . 113 U H5' . 15257 1 191 . 1 1 13 13 U H5'' H 1 4.031 0.010 . 2 . . . . 113 U H5'' . 15257 1 192 . 1 1 13 13 U H6 H 1 7.695 0.010 . 1 . . . . 113 U H6 . 15257 1 193 . 1 1 13 13 U C1' C 13 91.212 0.100 . 1 . . . . 113 U C1' . 15257 1 194 . 1 1 13 13 U C2' C 13 76.183 0.100 . 1 . . . . 113 U C2' . 15257 1 195 . 1 1 13 13 U C3' C 13 76.497 0.100 . 1 . . . . 113 U C3' . 15257 1 196 . 1 1 13 13 U C4' C 13 86.301 0.150 . 1 . . . . 113 U C4' . 15257 1 197 . 1 1 13 13 U C5 C 13 105.413 0.100 . 1 . . . . 113 U C5 . 15257 1 198 . 1 1 13 13 U C5' C 13 68.930 0.100 . 1 . . . . 113 U C5' . 15257 1 199 . 1 1 13 13 U C6 C 13 143.959 0.100 . 1 . . . . 113 U C6 . 15257 1 200 . 1 1 14 14 G H1 H 1 11.957 0.010 . 1 . . . . 114 G H1 . 15257 1 201 . 1 1 14 14 G H1' H 1 5.265 0.010 . 1 . . . . 114 G H1' . 15257 1 202 . 1 1 14 14 G H2' H 1 4.698 0.010 . 1 . . . . 114 G H2' . 15257 1 203 . 1 1 14 14 G H3' H 1 4.303 0.010 . 1 . . . . 114 G H3' . 15257 1 204 . 1 1 14 14 G H4' H 1 3.818 0.010 . 1 . . . . 114 G H4' . 15257 1 205 . 1 1 14 14 G H5' H 1 3.880 0.010 . 2 . . . . 114 G H5' . 15257 1 206 . 1 1 14 14 G H5'' H 1 3.703 0.010 . 2 . . . . 114 G H5'' . 15257 1 207 . 1 1 14 14 G H8 H 1 7.114 0.010 . 1 . . . . 114 G H8 . 15257 1 208 . 1 1 14 14 G C1' C 13 93.289 0.100 . 1 . . . . 114 G C1' . 15257 1 209 . 1 1 14 14 G C2' C 13 75.517 0.100 . 1 . . . . 114 G C2' . 15257 1 210 . 1 1 14 14 G C3' C 13 76.053 0.150 . 1 . . . . 114 G C3' . 15257 1 211 . 1 1 14 14 G C4' C 13 81.123 0.100 . 1 . . . . 114 G C4' . 15257 1 212 . 1 1 14 14 G C5' C 13 67.655 0.100 . 1 . . . . 114 G C5' . 15257 1 213 . 1 1 14 14 G C8 C 13 136.067 0.100 . 1 . . . . 114 G C8 . 15257 1 214 . 1 1 14 14 G N1 N 15 147.359 0.100 . 1 . . . . 114 G N1 . 15257 1 215 . 1 1 15 15 A H1' H 1 5.980 0.010 . 1 . . . . 115 A H1' . 15257 1 216 . 1 1 15 15 A H2 H 1 6.966 0.010 . 1 . . . . 115 A H2 . 15257 1 217 . 1 1 15 15 A H2' H 1 4.743 0.010 . 1 . . . . 115 A H2' . 15257 1 218 . 1 1 15 15 A H3' H 1 4.699 0.010 . 1 . . . . 115 A H3' . 15257 1 219 . 1 1 15 15 A H4' H 1 4.559 0.010 . 1 . . . . 115 A H4' . 15257 1 220 . 1 1 15 15 A H5'' H 1 4.135 0.010 . 2 . . . . 115 A H5'' . 15257 1 221 . 1 1 15 15 A H8 H 1 7.737 0.010 . 1 . . . . 115 A H8 . 15257 1 222 . 1 1 15 15 A C1' C 13 93.357 0.100 . 1 . . . . 115 A C1' . 15257 1 223 . 1 1 15 15 A C2 C 13 152.685 0.100 . 1 . . . . 115 A C2 . 15257 1 224 . 1 1 15 15 A C2' C 13 75.561 0.100 . 1 . . . . 115 A C2' . 15257 1 225 . 1 1 15 15 A C3' C 13 73.010 0.100 . 1 . . . . 115 A C3' . 15257 1 226 . 1 1 15 15 A C4' C 13 82.191 0.100 . 1 . . . . 115 A C4' . 15257 1 227 . 1 1 15 15 A C5' C 13 64.877 0.100 . 1 . . . . 115 A C5' . 15257 1 228 . 1 1 15 15 A C8 C 13 139.756 0.100 . 1 . . . . 115 A C8 . 15257 1 229 . 1 1 16 16 A H1' H 1 5.944 0.010 . 1 . . . . 116 A H1' . 15257 1 230 . 1 1 16 16 A H2 H 1 7.367 0.010 . 1 . . . . 116 A H2 . 15257 1 231 . 1 1 16 16 A H2' H 1 4.654 0.010 . 1 . . . . 116 A H2' . 15257 1 232 . 1 1 16 16 A H3' H 1 4.670 0.010 . 1 . . . . 116 A H3' . 15257 1 233 . 1 1 16 16 A H4' H 1 4.554 0.010 . 1 . . . . 116 A H4' . 15257 1 234 . 1 1 16 16 A H5' H 1 4.524 0.010 . 2 . . . . 116 A H5' . 15257 1 235 . 1 1 16 16 A H5'' H 1 4.140 0.010 . 2 . . . . 116 A H5'' . 15257 1 236 . 1 1 16 16 A H8 H 1 7.782 0.010 . 1 . . . . 116 A H8 . 15257 1 237 . 1 1 16 16 A C1' C 13 92.671 0.100 . 1 . . . . 116 A C1' . 15257 1 238 . 1 1 16 16 A C2 C 13 153.241 0.100 . 1 . . . . 116 A C2 . 15257 1 239 . 1 1 16 16 A C2' C 13 75.584 0.100 . 1 . . . . 116 A C2' . 15257 1 240 . 1 1 16 16 A C3' C 13 73.073 0.100 . 1 . . . . 116 A C3' . 15257 1 241 . 1 1 16 16 A C4' C 13 82.191 0.100 . 1 . . . . 116 A C4' . 15257 1 242 . 1 1 16 16 A C5' C 13 65.290 0.100 . 1 . . . . 116 A C5' . 15257 1 243 . 1 1 16 16 A C8 C 13 139.509 0.100 . 1 . . . . 116 A C8 . 15257 1 244 . 1 1 17 17 G H1 H 1 13.327 0.010 . 1 . . . . 117 G H1 . 15257 1 245 . 1 1 17 17 G H1' H 1 5.703 0.010 . 1 . . . . 117 G H1' . 15257 1 246 . 1 1 17 17 G H2' H 1 4.441 0.010 . 1 . . . . 117 G H2' . 15257 1 247 . 1 1 17 17 G H3' H 1 4.516 0.010 . 1 . . . . 117 G H3' . 15257 1 248 . 1 1 17 17 G H4' H 1 4.427 0.010 . 1 . . . . 117 G H4' . 15257 1 249 . 1 1 17 17 G H5' H 1 4.537 0.010 . 2 . . . . 117 G H5' . 15257 1 250 . 1 1 17 17 G H5'' H 1 4.084 0.010 . 2 . . . . 117 G H5'' . 15257 1 251 . 1 1 17 17 G H8 H 1 7.397 0.010 . 1 . . . . 117 G H8 . 15257 1 252 . 1 1 17 17 G C1' C 13 92.810 0.100 . 1 . . . . 117 G C1' . 15257 1 253 . 1 1 17 17 G C2' C 13 75.354 0.100 . 1 . . . . 117 G C2' . 15257 1 254 . 1 1 17 17 G C3' C 13 72.846 0.100 . 1 . . . . 117 G C3' . 15257 1 255 . 1 1 17 17 G C4' C 13 82.156 0.100 . 1 . . . . 117 G C4' . 15257 1 256 . 1 1 17 17 G C5' C 13 65.099 0.100 . 1 . . . . 117 G C5' . 15257 1 257 . 1 1 17 17 G C8 C 13 136.101 0.100 . 1 . . . . 117 G C8 . 15257 1 258 . 1 1 17 17 G N1 N 15 148.569 0.100 . 1 . . . . 117 G N1 . 15257 1 259 . 1 1 18 18 C H1' H 1 5.522 0.010 . 1 . . . . 118 C H1' . 15257 1 260 . 1 1 18 18 C H2' H 1 4.247 0.010 . 1 . . . . 118 C H2' . 15257 1 261 . 1 1 18 18 C H3' H 1 4.452 0.010 . 1 . . . . 118 C H3' . 15257 1 262 . 1 1 18 18 C H4' H 1 4.389 0.010 . 1 . . . . 118 C H4' . 15257 1 263 . 1 1 18 18 C H5 H 1 5.144 0.015 . 1 . . . . 118 C H5 . 15257 1 264 . 1 1 18 18 C H5' H 1 4.549 0.010 . 2 . . . . 118 C H5' . 15257 1 265 . 1 1 18 18 C H5'' H 1 4.056 0.010 . 2 . . . . 118 C H5'' . 15257 1 266 . 1 1 18 18 C H6 H 1 7.759 0.010 . 1 . . . . 118 C H6 . 15257 1 267 . 1 1 18 18 C H41 H 1 8.545 0.015 . 2 . . . . 118 C H41 . 15257 1 268 . 1 1 18 18 C H42 H 1 6.713 0.030 . 2 . . . . 118 C H42 . 15257 1 269 . 1 1 18 18 C C1' C 13 94.071 0.100 . 1 . . . . 118 C C1' . 15257 1 270 . 1 1 18 18 C C2' C 13 75.614 0.100 . 1 . . . . 118 C C2' . 15257 1 271 . 1 1 18 18 C C3' C 13 72.181 0.100 . 1 . . . . 118 C C3' . 15257 1 272 . 1 1 18 18 C C4' C 13 81.970 0.100 . 1 . . . . 118 C C4' . 15257 1 273 . 1 1 18 18 C C5 C 13 96.929 0.100 . 1 . . . . 118 C C5 . 15257 1 274 . 1 1 18 18 C C5' C 13 64.504 0.100 . 1 . . . . 118 C C5' . 15257 1 275 . 1 1 18 18 C C6 C 13 141.426 0.100 . 1 . . . . 118 C C6 . 15257 1 276 . 1 1 18 18 C N4 N 15 98.750 0.170 . 1 . . . . 118 C N4 . 15257 1 277 . 1 1 19 19 C H1' H 1 5.516 0.010 . 1 . . . . 119 C H1' . 15257 1 278 . 1 1 19 19 C H2' H 1 4.341 0.010 . 1 . . . . 119 C H2' . 15257 1 279 . 1 1 19 19 C H3' H 1 4.430 0.010 . 1 . . . . 119 C H3' . 15257 1 280 . 1 1 19 19 C H4' H 1 4.389 0.010 . 1 . . . . 119 C H4' . 15257 1 281 . 1 1 19 19 C H5 H 1 5.447 0.010 . 1 . . . . 119 C H5 . 15257 1 282 . 1 1 19 19 C H5' H 1 4.469 0.010 . 2 . . . . 119 C H5' . 15257 1 283 . 1 1 19 19 C H5'' H 1 4.041 0.010 . 2 . . . . 119 C H5'' . 15257 1 284 . 1 1 19 19 C H6 H 1 7.809 0.010 . 1 . . . . 119 C H6 . 15257 1 285 . 1 1 19 19 C C1' C 13 94.071 0.100 . 1 . . . . 119 C C1' . 15257 1 286 . 1 1 19 19 C C2' C 13 75.518 0.100 . 1 . . . . 119 C C2' . 15257 1 287 . 1 1 19 19 C C3' C 13 72.303 0.100 . 1 . . . . 119 C C3' . 15257 1 288 . 1 1 19 19 C C4' C 13 81.970 0.100 . 1 . . . . 119 C C4' . 15257 1 289 . 1 1 19 19 C C5 C 13 97.548 0.100 . 1 . . . . 119 C C5 . 15257 1 290 . 1 1 19 19 C C5' C 13 64.802 0.100 . 1 . . . . 119 C C5' . 15257 1 291 . 1 1 19 19 C C6 C 13 141.468 0.100 . 1 . . . . 119 C C6 . 15257 1 292 . 1 1 20 20 C H1' H 1 5.750 0.010 . 1 . . . . 120 C H1' . 15257 1 293 . 1 1 20 20 C H2' H 1 3.984 0.010 . 1 . . . . 120 C H2' . 15257 1 294 . 1 1 20 20 C H3' H 1 4.159 0.010 . 1 . . . . 120 C H3' . 15257 1 295 . 1 1 20 20 C H4' H 1 4.155 0.010 . 1 . . . . 120 C H4' . 15257 1 296 . 1 1 20 20 C H5 H 1 5.485 0.010 . 1 . . . . 120 C H5 . 15257 1 297 . 1 1 20 20 C H5' H 1 4.473 0.010 . 2 . . . . 120 C H5' . 15257 1 298 . 1 1 20 20 C H5'' H 1 4.108 0.010 . 2 . . . . 120 C H5'' . 15257 1 299 . 1 1 20 20 C H6 H 1 7.679 0.010 . 1 . . . . 120 C H6 . 15257 1 300 . 1 1 20 20 C C1' C 13 92.814 0.100 . 1 . . . . 120 C C1' . 15257 1 301 . 1 1 20 20 C C2' C 13 77.540 0.100 . 1 . . . . 120 C C2' . 15257 1 302 . 1 1 20 20 C C3' C 13 69.825 0.100 . 1 . . . . 120 C C3' . 15257 1 303 . 1 1 20 20 C C4' C 13 83.593 0.100 . 1 . . . . 120 C C4' . 15257 1 304 . 1 1 20 20 C C5 C 13 97.920 0.100 . 1 . . . . 120 C C5 . 15257 1 305 . 1 1 20 20 C C5' C 13 65.291 0.100 . 1 . . . . 120 C C5' . 15257 1 306 . 1 1 20 20 C C6 C 13 141.810 0.100 . 1 . . . . 120 C C6 . 15257 1 307 . 3 2 1 1 MET HA H 1 4.059 0.010 . 1 . . . . 1 MET HA . 15257 1 308 . 3 2 1 1 MET HB2 H 1 1.979 0.015 . 2 . . . . 1 MET HB2 . 15257 1 309 . 3 2 1 1 MET HB3 H 1 1.914 0.015 . 2 . . . . 1 MET HB3 . 15257 1 310 . 3 2 1 1 MET HE1 H 1 1.963 0.010 . 1 . . . . 1 MET HE . 15257 1 311 . 3 2 1 1 MET HE2 H 1 1.963 0.010 . 1 . . . . 1 MET HE . 15257 1 312 . 3 2 1 1 MET HE3 H 1 1.963 0.010 . 1 . . . . 1 MET HE . 15257 1 313 . 3 2 1 1 MET HG2 H 1 2.325 0.015 . 2 . . . . 1 MET HG2 . 15257 1 314 . 3 2 1 1 MET HG3 H 1 2.385 0.015 . 2 . . . . 1 MET HG3 . 15257 1 315 . 3 2 1 1 MET CA C 13 55.600 0.200 . 1 . . . . 1 MET CA . 15257 1 316 . 3 2 1 1 MET CB C 13 35.042 0.200 . 1 . . . . 1 MET CB . 15257 1 317 . 3 2 1 1 MET CE C 13 17.339 0.200 . 1 . . . . 1 MET CE . 15257 1 318 . 3 2 1 1 MET CG C 13 31.038 0.200 . 1 . . . . 1 MET CG . 15257 1 319 . 3 2 2 2 LEU H H 1 8.444 0.015 . 1 . . . . 2 LEU H . 15257 1 320 . 3 2 2 2 LEU HA H 1 4.565 0.015 . 1 . . . . 2 LEU HA . 15257 1 321 . 3 2 2 2 LEU HB2 H 1 1.364 0.015 . 2 . . . . 2 LEU HB2 . 15257 1 322 . 3 2 2 2 LEU HB3 H 1 1.036 0.015 . 2 . . . . 2 LEU HB3 . 15257 1 323 . 3 2 2 2 LEU HD11 H 1 -0.278 0.015 . 2 . . . . 2 LEU HD1 . 15257 1 324 . 3 2 2 2 LEU HD12 H 1 -0.278 0.015 . 2 . . . . 2 LEU HD1 . 15257 1 325 . 3 2 2 2 LEU HD13 H 1 -0.278 0.015 . 2 . . . . 2 LEU HD1 . 15257 1 326 . 3 2 2 2 LEU HD21 H 1 0.511 0.015 . 2 . . . . 2 LEU HD2 . 15257 1 327 . 3 2 2 2 LEU HD22 H 1 0.511 0.015 . 2 . . . . 2 LEU HD2 . 15257 1 328 . 3 2 2 2 LEU HD23 H 1 0.511 0.015 . 2 . . . . 2 LEU HD2 . 15257 1 329 . 3 2 2 2 LEU HG H 1 0.850 0.015 . 1 . . . . 2 LEU HG . 15257 1 330 . 3 2 2 2 LEU CA C 13 54.490 0.200 . 1 . . . . 2 LEU CA . 15257 1 331 . 3 2 2 2 LEU CB C 13 42.609 0.207 . 1 . . . . 2 LEU CB . 15257 1 332 . 3 2 2 2 LEU CD1 C 13 26.056 0.200 . 2 . . . . 2 LEU CD1 . 15257 1 333 . 3 2 2 2 LEU CD2 C 13 22.453 0.200 . 2 . . . . 2 LEU CD2 . 15257 1 334 . 3 2 2 2 LEU CG C 13 27.509 0.200 . 1 . . . . 2 LEU CG . 15257 1 335 . 3 2 2 2 LEU N N 15 124.391 0.100 . 1 . . . . 2 LEU N . 15257 1 336 . 3 2 3 3 ILE H H 1 10.645 0.015 . 1 . . . . 3 ILE H . 15257 1 337 . 3 2 3 3 ILE HA H 1 5.105 0.015 . 1 . . . . 3 ILE HA . 15257 1 338 . 3 2 3 3 ILE HB H 1 1.590 0.015 . 1 . . . . 3 ILE HB . 15257 1 339 . 3 2 3 3 ILE HD11 H 1 0.788 0.015 . 1 . . . . 3 ILE HD1 . 15257 1 340 . 3 2 3 3 ILE HD12 H 1 0.788 0.015 . 1 . . . . 3 ILE HD1 . 15257 1 341 . 3 2 3 3 ILE HD13 H 1 0.788 0.015 . 1 . . . . 3 ILE HD1 . 15257 1 342 . 3 2 3 3 ILE HG12 H 1 1.075 0.015 . 2 . . . . 3 ILE HG12 . 15257 1 343 . 3 2 3 3 ILE HG13 H 1 1.451 0.015 . 2 . . . . 3 ILE HG13 . 15257 1 344 . 3 2 3 3 ILE HG21 H 1 0.769 0.015 . 1 . . . . 3 ILE HG2 . 15257 1 345 . 3 2 3 3 ILE HG22 H 1 0.769 0.015 . 1 . . . . 3 ILE HG2 . 15257 1 346 . 3 2 3 3 ILE HG23 H 1 0.769 0.015 . 1 . . . . 3 ILE HG2 . 15257 1 347 . 3 2 3 3 ILE CA C 13 59.952 0.200 . 1 . . . . 3 ILE CA . 15257 1 348 . 3 2 3 3 ILE CB C 13 37.582 0.200 . 1 . . . . 3 ILE CB . 15257 1 349 . 3 2 3 3 ILE CD1 C 13 13.873 0.200 . 1 . . . . 3 ILE CD1 . 15257 1 350 . 3 2 3 3 ILE CG1 C 13 27.780 0.200 . 1 . . . . 3 ILE CG1 . 15257 1 351 . 3 2 3 3 ILE CG2 C 13 18.047 0.200 . 1 . . . . 3 ILE CG2 . 15257 1 352 . 3 2 3 3 ILE N N 15 130.562 0.100 . 1 . . . . 3 ILE N . 15257 1 353 . 3 2 4 4 LEU H H 1 8.576 0.015 . 1 . . . . 4 LEU H . 15257 1 354 . 3 2 4 4 LEU HA H 1 4.555 0.015 . 1 . . . . 4 LEU HA . 15257 1 355 . 3 2 4 4 LEU HB2 H 1 1.216 0.015 . 2 . . . . 4 LEU HB2 . 15257 1 356 . 3 2 4 4 LEU HB3 H 1 0.876 0.020 . 2 . . . . 4 LEU HB3 . 15257 1 357 . 3 2 4 4 LEU HD11 H 1 0.303 0.015 . 2 . . . . 4 LEU HD1 . 15257 1 358 . 3 2 4 4 LEU HD12 H 1 0.303 0.015 . 2 . . . . 4 LEU HD1 . 15257 1 359 . 3 2 4 4 LEU HD13 H 1 0.303 0.015 . 2 . . . . 4 LEU HD1 . 15257 1 360 . 3 2 4 4 LEU HD21 H 1 0.033 0.015 . 2 . . . . 4 LEU HD2 . 15257 1 361 . 3 2 4 4 LEU HD22 H 1 0.033 0.015 . 2 . . . . 4 LEU HD2 . 15257 1 362 . 3 2 4 4 LEU HD23 H 1 0.033 0.015 . 2 . . . . 4 LEU HD2 . 15257 1 363 . 3 2 4 4 LEU HG H 1 1.116 0.020 . 1 . . . . 4 LEU HG . 15257 1 364 . 3 2 4 4 LEU CA C 13 52.574 0.200 . 1 . . . . 4 LEU CA . 15257 1 365 . 3 2 4 4 LEU CB C 13 47.264 0.200 . 1 . . . . 4 LEU CB . 15257 1 366 . 3 2 4 4 LEU CD1 C 13 25.989 0.200 . 2 . . . . 4 LEU CD1 . 15257 1 367 . 3 2 4 4 LEU CD2 C 13 23.075 0.200 . 2 . . . . 4 LEU CD2 . 15257 1 368 . 3 2 4 4 LEU CG C 13 26.424 0.200 . 1 . . . . 4 LEU CG . 15257 1 369 . 3 2 4 4 LEU N N 15 122.235 0.100 . 1 . . . . 4 LEU N . 15257 1 370 . 3 2 5 5 THR H H 1 9.153 0.015 . 1 . . . . 5 THR H . 15257 1 371 . 3 2 5 5 THR HA H 1 5.464 0.015 . 1 . . . . 5 THR HA . 15257 1 372 . 3 2 5 5 THR HB H 1 4.001 0.015 . 1 . . . . 5 THR HB . 15257 1 373 . 3 2 5 5 THR HG21 H 1 1.078 0.015 . 1 . . . . 5 THR HG2 . 15257 1 374 . 3 2 5 5 THR HG22 H 1 1.078 0.015 . 1 . . . . 5 THR HG2 . 15257 1 375 . 3 2 5 5 THR HG23 H 1 1.078 0.015 . 1 . . . . 5 THR HG2 . 15257 1 376 . 3 2 5 5 THR CA C 13 62.235 0.200 . 1 . . . . 5 THR CA . 15257 1 377 . 3 2 5 5 THR CB C 13 68.911 0.200 . 1 . . . . 5 THR CB . 15257 1 378 . 3 2 5 5 THR CG2 C 13 22.737 0.200 . 1 . . . . 5 THR CG2 . 15257 1 379 . 3 2 5 5 THR N N 15 120.349 0.100 . 1 . . . . 5 THR N . 15257 1 380 . 3 2 6 6 ARG H H 1 9.590 0.015 . 1 . . . . 6 ARG H . 15257 1 381 . 3 2 6 6 ARG HA H 1 5.030 0.015 . 1 . . . . 6 ARG HA . 15257 1 382 . 3 2 6 6 ARG HB2 H 1 1.915 0.015 . 2 . . . . 6 ARG HB2 . 15257 1 383 . 3 2 6 6 ARG HB3 H 1 1.732 0.015 . 2 . . . . 6 ARG HB3 . 15257 1 384 . 3 2 6 6 ARG HD2 H 1 2.980 0.015 . 2 . . . . 6 ARG HD2 . 15257 1 385 . 3 2 6 6 ARG HD3 H 1 2.943 0.015 . 2 . . . . 6 ARG HD3 . 15257 1 386 . 3 2 6 6 ARG HE H 1 8.564 0.015 . 1 . . . . 6 ARG HE . 15257 1 387 . 3 2 6 6 ARG CA C 13 55.547 0.200 . 1 . . . . 6 ARG CA . 15257 1 388 . 3 2 6 6 ARG CB C 13 38.304 0.201 . 1 . . . . 6 ARG CB . 15257 1 389 . 3 2 6 6 ARG CD C 13 45.676 0.213 . 1 . . . . 6 ARG CD . 15257 1 390 . 3 2 6 6 ARG N N 15 126.862 0.100 . 1 . . . . 6 ARG N . 15257 1 391 . 3 2 7 7 LYS H H 1 9.448 0.015 . 1 . . . . 7 LYS H . 15257 1 392 . 3 2 7 7 LYS HA H 1 5.074 0.015 . 1 . . . . 7 LYS HA . 15257 1 393 . 3 2 7 7 LYS HB2 H 1 1.896 0.015 . 2 . . . . 7 LYS HB2 . 15257 1 394 . 3 2 7 7 LYS HB3 H 1 1.434 0.015 . 2 . . . . 7 LYS HB3 . 15257 1 395 . 3 2 7 7 LYS HD2 H 1 1.696 0.015 . 2 . . . . 7 LYS HD2 . 15257 1 396 . 3 2 7 7 LYS HD3 H 1 1.664 0.015 . 2 . . . . 7 LYS HD3 . 15257 1 397 . 3 2 7 7 LYS HE2 H 1 2.951 0.020 . 2 . . . . 7 LYS HE2 . 15257 1 398 . 3 2 7 7 LYS HE3 H 1 2.951 0.020 . 2 . . . . 7 LYS HE3 . 15257 1 399 . 3 2 7 7 LYS HG2 H 1 1.427 0.020 . 2 . . . . 7 LYS HG2 . 15257 1 400 . 3 2 7 7 LYS HG3 H 1 1.427 0.020 . 2 . . . . 7 LYS HG3 . 15257 1 401 . 3 2 7 7 LYS CA C 13 54.477 0.200 . 1 . . . . 7 LYS CA . 15257 1 402 . 3 2 7 7 LYS CB C 13 34.398 0.200 . 2 . . . . 7 LYS CB . 15257 1 403 . 3 2 7 7 LYS CD C 13 29.545 0.200 . 2 . . . . 7 LYS CD . 15257 1 404 . 3 2 7 7 LYS CE C 13 41.599 0.200 . 1 . . . . 7 LYS CE . 15257 1 405 . 3 2 7 7 LYS CG C 13 25.585 0.200 . 1 . . . . 7 LYS CG . 15257 1 406 . 3 2 7 7 LYS N N 15 123.542 0.100 . 1 . . . . 7 LYS N . 15257 1 407 . 3 2 8 8 VAL H H 1 7.745 0.020 . 1 . . . . 8 VAL H . 15257 1 408 . 3 2 8 8 VAL HA H 1 3.324 0.015 . 1 . . . . 8 VAL HA . 15257 1 409 . 3 2 8 8 VAL HB H 1 1.955 0.015 . 1 . . . . 8 VAL HB . 15257 1 410 . 3 2 8 8 VAL HG11 H 1 1.018 0.015 . 2 . . . . 8 VAL HG1 . 15257 1 411 . 3 2 8 8 VAL HG12 H 1 1.018 0.015 . 2 . . . . 8 VAL HG1 . 15257 1 412 . 3 2 8 8 VAL HG13 H 1 1.018 0.015 . 2 . . . . 8 VAL HG1 . 15257 1 413 . 3 2 8 8 VAL HG21 H 1 0.872 0.015 . 2 . . . . 8 VAL HG2 . 15257 1 414 . 3 2 8 8 VAL HG22 H 1 0.872 0.015 . 2 . . . . 8 VAL HG2 . 15257 1 415 . 3 2 8 8 VAL HG23 H 1 0.872 0.015 . 2 . . . . 8 VAL HG2 . 15257 1 416 . 3 2 8 8 VAL CA C 13 66.112 0.200 . 1 . . . . 8 VAL CA . 15257 1 417 . 3 2 8 8 VAL CB C 13 31.651 0.200 . 1 . . . . 8 VAL CB . 15257 1 418 . 3 2 8 8 VAL CG1 C 13 23.238 0.200 . 2 . . . . 8 VAL CG1 . 15257 1 419 . 3 2 8 8 VAL CG2 C 13 21.320 0.200 . 2 . . . . 8 VAL CG2 . 15257 1 420 . 3 2 8 8 VAL N N 15 118.445 0.100 . 1 . . . . 8 VAL N . 15257 1 421 . 3 2 9 9 GLY H H 1 9.280 0.015 . 1 . . . . 9 GLY H . 15257 1 422 . 3 2 9 9 GLY HA2 H 1 3.621 0.015 . 2 . . . . 9 GLY HA2 . 15257 1 423 . 3 2 9 9 GLY HA3 H 1 4.398 0.015 . 2 . . . . 9 GLY HA3 . 15257 1 424 . 3 2 9 9 GLY CA C 13 44.698 0.200 . 1 . . . . 9 GLY CA . 15257 1 425 . 3 2 9 9 GLY N N 15 115.876 0.100 . 1 . . . . 9 GLY N . 15257 1 426 . 3 2 10 10 GLU H H 1 8.383 0.015 . 1 . . . . 10 GLU H . 15257 1 427 . 3 2 10 10 GLU HA H 1 4.902 0.015 . 1 . . . . 10 GLU HA . 15257 1 428 . 3 2 10 10 GLU HB2 H 1 2.567 0.015 . 2 . . . . 10 GLU HB2 . 15257 1 429 . 3 2 10 10 GLU HB3 H 1 2.026 0.015 . 2 . . . . 10 GLU HB3 . 15257 1 430 . 3 2 10 10 GLU HG2 H 1 2.169 0.015 . 2 . . . . 10 GLU HG2 . 15257 1 431 . 3 2 10 10 GLU HG3 H 1 2.169 0.015 . 2 . . . . 10 GLU HG3 . 15257 1 432 . 3 2 10 10 GLU CA C 13 55.784 0.200 . 1 . . . . 10 GLU CA . 15257 1 433 . 3 2 10 10 GLU CB C 13 33.013 0.200 . 1 . . . . 10 GLU CB . 15257 1 434 . 3 2 10 10 GLU CG C 13 37.686 0.200 . 1 . . . . 10 GLU CG . 15257 1 435 . 3 2 10 10 GLU N N 15 119.145 0.100 . 1 . . . . 10 GLU N . 15257 1 436 . 3 2 11 11 SER H H 1 8.698 0.015 . 1 . . . . 11 SER H . 15257 1 437 . 3 2 11 11 SER HA H 1 5.897 0.015 . 1 . . . . 11 SER HA . 15257 1 438 . 3 2 11 11 SER HB2 H 1 3.605 0.015 . 2 . . . . 11 SER HB2 . 15257 1 439 . 3 2 11 11 SER HB3 H 1 3.497 0.015 . 2 . . . . 11 SER HB3 . 15257 1 440 . 3 2 11 11 SER CA C 13 58.126 0.200 . 1 . . . . 11 SER CA . 15257 1 441 . 3 2 11 11 SER CB C 13 66.996 0.200 . 1 . . . . 11 SER CB . 15257 1 442 . 3 2 11 11 SER N N 15 112.430 0.100 . 1 . . . . 11 SER N . 15257 1 443 . 3 2 12 12 ILE H H 1 9.277 0.015 . 1 . . . . 12 ILE H . 15257 1 444 . 3 2 12 12 ILE HA H 1 4.387 0.015 . 1 . . . . 12 ILE HA . 15257 1 445 . 3 2 12 12 ILE HB H 1 1.283 0.015 . 1 . . . . 12 ILE HB . 15257 1 446 . 3 2 12 12 ILE HD11 H 1 0.552 0.015 . 1 . . . . 12 ILE HD1 . 15257 1 447 . 3 2 12 12 ILE HD12 H 1 0.552 0.015 . 1 . . . . 12 ILE HD1 . 15257 1 448 . 3 2 12 12 ILE HD13 H 1 0.552 0.015 . 1 . . . . 12 ILE HD1 . 15257 1 449 . 3 2 12 12 ILE HG12 H 1 1.326 0.015 . 2 . . . . 12 ILE HG12 . 15257 1 450 . 3 2 12 12 ILE HG13 H 1 0.546 0.015 . 2 . . . . 12 ILE HG13 . 15257 1 451 . 3 2 12 12 ILE HG21 H 1 0.430 0.015 . 1 . . . . 12 ILE HG2 . 15257 1 452 . 3 2 12 12 ILE HG22 H 1 0.430 0.015 . 1 . . . . 12 ILE HG2 . 15257 1 453 . 3 2 12 12 ILE HG23 H 1 0.430 0.015 . 1 . . . . 12 ILE HG2 . 15257 1 454 . 3 2 12 12 ILE CA C 13 59.946 0.200 . 1 . . . . 12 ILE CA . 15257 1 455 . 3 2 12 12 ILE CB C 13 42.857 0.200 . 1 . . . . 12 ILE CB . 15257 1 456 . 3 2 12 12 ILE CD1 C 13 14.974 0.200 . 1 . . . . 12 ILE CD1 . 15257 1 457 . 3 2 12 12 ILE CG1 C 13 28.577 0.200 . 1 . . . . 12 ILE CG1 . 15257 1 458 . 3 2 12 12 ILE CG2 C 13 17.327 0.200 . 1 . . . . 12 ILE CG2 . 15257 1 459 . 3 2 12 12 ILE N N 15 124.558 0.100 . 1 . . . . 12 ILE N . 15257 1 460 . 3 2 13 13 ASN H H 1 9.333 0.015 . 1 . . . . 13 ASN H . 15257 1 461 . 3 2 13 13 ASN HA H 1 4.976 0.015 . 1 . . . . 13 ASN HA . 15257 1 462 . 3 2 13 13 ASN HB2 H 1 2.202 0.015 . 2 . . . . 13 ASN HB2 . 15257 1 463 . 3 2 13 13 ASN HB3 H 1 1.882 0.015 . 2 . . . . 13 ASN HB3 . 15257 1 464 . 3 2 13 13 ASN HD21 H 1 6.421 0.015 . 2 . . . . 13 ASN HD21 . 15257 1 465 . 3 2 13 13 ASN HD22 H 1 5.767 0.015 . 2 . . . . 13 ASN HD22 . 15257 1 466 . 3 2 13 13 ASN CA C 13 53.621 0.200 . 1 . . . . 13 ASN CA . 15257 1 467 . 3 2 13 13 ASN CB C 13 41.608 0.206 . 1 . . . . 13 ASN CB . 15257 1 468 . 3 2 13 13 ASN N N 15 126.001 0.100 . 1 . . . . 13 ASN N . 15257 1 469 . 3 2 13 13 ASN ND2 N 15 107.284 0.003 . 2 . . . . 13 ASN ND2 . 15257 1 470 . 3 2 14 14 ILE H H 1 8.398 0.020 . 1 . . . . 14 ILE H . 15257 1 471 . 3 2 14 14 ILE HA H 1 4.466 0.015 . 1 . . . . 14 ILE HA . 15257 1 472 . 3 2 14 14 ILE HB H 1 1.454 0.015 . 1 . . . . 14 ILE HB . 15257 1 473 . 3 2 14 14 ILE HD11 H 1 0.580 0.015 . 1 . . . . 14 ILE HD1 . 15257 1 474 . 3 2 14 14 ILE HD12 H 1 0.580 0.015 . 1 . . . . 14 ILE HD1 . 15257 1 475 . 3 2 14 14 ILE HD13 H 1 0.580 0.015 . 1 . . . . 14 ILE HD1 . 15257 1 476 . 3 2 14 14 ILE HG12 H 1 1.290 0.015 . 2 . . . . 14 ILE HG12 . 15257 1 477 . 3 2 14 14 ILE HG13 H 1 0.776 0.015 . 2 . . . . 14 ILE HG13 . 15257 1 478 . 3 2 14 14 ILE HG21 H 1 0.625 0.015 . 1 . . . . 14 ILE HG2 . 15257 1 479 . 3 2 14 14 ILE HG22 H 1 0.625 0.015 . 1 . . . . 14 ILE HG2 . 15257 1 480 . 3 2 14 14 ILE HG23 H 1 0.625 0.015 . 1 . . . . 14 ILE HG2 . 15257 1 481 . 3 2 14 14 ILE CA C 13 60.710 0.200 . 1 . . . . 14 ILE CA . 15257 1 482 . 3 2 14 14 ILE CB C 13 38.674 0.200 . 1 . . . . 14 ILE CB . 15257 1 483 . 3 2 14 14 ILE CD1 C 13 14.291 0.200 . 1 . . . . 14 ILE CD1 . 15257 1 484 . 3 2 14 14 ILE CG1 C 13 27.699 0.200 . 1 . . . . 14 ILE CG1 . 15257 1 485 . 3 2 14 14 ILE CG2 C 13 17.268 0.200 . 1 . . . . 14 ILE CG2 . 15257 1 486 . 3 2 14 14 ILE N N 15 123.755 0.100 . 1 . . . . 14 ILE N . 15257 1 487 . 3 2 15 15 GLY H H 1 9.119 0.015 . 1 . . . . 15 GLY H . 15257 1 488 . 3 2 15 15 GLY HA2 H 1 4.048 0.015 . 2 . . . . 15 GLY HA2 . 15257 1 489 . 3 2 15 15 GLY HA3 H 1 3.940 0.015 . 2 . . . . 15 GLY HA3 . 15257 1 490 . 3 2 15 15 GLY CA C 13 46.168 0.200 . 2 . . . . 15 GLY CA . 15257 1 491 . 3 2 15 15 GLY N N 15 115.358 0.100 . 1 . . . . 15 GLY N . 15257 1 492 . 3 2 16 16 ASP H H 1 8.777 0.025 . 1 . . . . 16 ASP H . 15257 1 493 . 3 2 16 16 ASP HA H 1 4.936 0.015 . 1 . . . . 16 ASP HA . 15257 1 494 . 3 2 16 16 ASP HB2 H 1 2.819 0.015 . 2 . . . . 16 ASP HB2 . 15257 1 495 . 3 2 16 16 ASP HB3 H 1 2.500 0.015 . 2 . . . . 16 ASP HB3 . 15257 1 496 . 3 2 16 16 ASP CA C 13 55.457 0.200 . 1 . . . . 16 ASP CA . 15257 1 497 . 3 2 16 16 ASP CB C 13 42.478 0.200 . 1 . . . . 16 ASP CB . 15257 1 498 . 3 2 16 16 ASP N N 15 120.699 0.100 . 1 . . . . 16 ASP N . 15257 1 499 . 3 2 17 17 ASP H H 1 8.140 0.015 . 1 . . . . 17 ASP H . 15257 1 500 . 3 2 17 17 ASP HA H 1 4.740 0.015 . 1 . . . . 17 ASP HA . 15257 1 501 . 3 2 17 17 ASP HB2 H 1 2.689 0.015 . 2 . . . . 17 ASP HB2 . 15257 1 502 . 3 2 17 17 ASP HB3 H 1 2.543 0.015 . 2 . . . . 17 ASP HB3 . 15257 1 503 . 3 2 17 17 ASP CA C 13 54.237 0.200 . 1 . . . . 17 ASP CA . 15257 1 504 . 3 2 17 17 ASP CB C 13 42.704 0.200 . 1 . . . . 17 ASP CB . 15257 1 505 . 3 2 17 17 ASP N N 15 115.424 0.100 . 1 . . . . 17 ASP N . 15257 1 506 . 3 2 18 18 ILE H H 1 7.156 0.015 . 1 . . . . 18 ILE H . 15257 1 507 . 3 2 18 18 ILE HA H 1 5.233 0.015 . 1 . . . . 18 ILE HA . 15257 1 508 . 3 2 18 18 ILE HB H 1 2.186 0.015 . 1 . . . . 18 ILE HB . 15257 1 509 . 3 2 18 18 ILE HD11 H 1 0.706 0.015 . 1 . . . . 18 ILE HD1 . 15257 1 510 . 3 2 18 18 ILE HD12 H 1 0.706 0.015 . 1 . . . . 18 ILE HD1 . 15257 1 511 . 3 2 18 18 ILE HD13 H 1 0.706 0.015 . 1 . . . . 18 ILE HD1 . 15257 1 512 . 3 2 18 18 ILE HG12 H 1 1.764 0.015 . 2 . . . . 18 ILE HG12 . 15257 1 513 . 3 2 18 18 ILE HG21 H 1 0.635 0.015 . 1 . . . . 18 ILE HG2 . 15257 1 514 . 3 2 18 18 ILE HG22 H 1 0.635 0.015 . 1 . . . . 18 ILE HG2 . 15257 1 515 . 3 2 18 18 ILE HG23 H 1 0.635 0.015 . 1 . . . . 18 ILE HG2 . 15257 1 516 . 3 2 18 18 ILE CA C 13 60.126 0.200 . 1 . . . . 18 ILE CA . 15257 1 517 . 3 2 18 18 ILE CB C 13 39.874 0.200 . 1 . . . . 18 ILE CB . 15257 1 518 . 3 2 18 18 ILE CD1 C 13 14.251 0.200 . 1 . . . . 18 ILE CD1 . 15257 1 519 . 3 2 18 18 ILE CG1 C 13 27.502 0.200 . 1 . . . . 18 ILE CG1 . 15257 1 520 . 3 2 18 18 ILE CG2 C 13 17.100 0.200 . 1 . . . . 18 ILE CG2 . 15257 1 521 . 3 2 18 18 ILE N N 15 118.553 0.100 . 1 . . . . 18 ILE N . 15257 1 522 . 3 2 19 19 THR H H 1 8.969 0.015 . 1 . . . . 19 THR H . 15257 1 523 . 3 2 19 19 THR HA H 1 5.138 0.015 . 1 . . . . 19 THR HA . 15257 1 524 . 3 2 19 19 THR HB H 1 3.822 0.015 . 1 . . . . 19 THR HB . 15257 1 525 . 3 2 19 19 THR HG21 H 1 0.987 0.015 . 1 . . . . 19 THR HG2 . 15257 1 526 . 3 2 19 19 THR HG22 H 1 0.987 0.015 . 1 . . . . 19 THR HG2 . 15257 1 527 . 3 2 19 19 THR HG23 H 1 0.987 0.015 . 1 . . . . 19 THR HG2 . 15257 1 528 . 3 2 19 19 THR CA C 13 61.016 0.200 . 1 . . . . 19 THR CA . 15257 1 529 . 3 2 19 19 THR CB C 13 71.904 0.200 . 1 . . . . 19 THR CB . 15257 1 530 . 3 2 19 19 THR CG2 C 13 21.734 0.200 . 1 . . . . 19 THR CG2 . 15257 1 531 . 3 2 19 19 THR N N 15 122.586 0.100 . 1 . . . . 19 THR N . 15257 1 532 . 3 2 20 20 ILE H H 1 8.910 0.015 . 1 . . . . 20 ILE H . 15257 1 533 . 3 2 20 20 ILE HA H 1 4.943 0.015 . 1 . . . . 20 ILE HA . 15257 1 534 . 3 2 20 20 ILE HB H 1 1.607 0.015 . 1 . . . . 20 ILE HB . 15257 1 535 . 3 2 20 20 ILE HD11 H 1 0.546 0.015 . 1 . . . . 20 ILE HD1 . 15257 1 536 . 3 2 20 20 ILE HD12 H 1 0.546 0.015 . 1 . . . . 20 ILE HD1 . 15257 1 537 . 3 2 20 20 ILE HD13 H 1 0.546 0.015 . 1 . . . . 20 ILE HD1 . 15257 1 538 . 3 2 20 20 ILE HG12 H 1 1.237 0.015 . 2 . . . . 20 ILE HG12 . 15257 1 539 . 3 2 20 20 ILE HG13 H 1 0.943 0.015 . 2 . . . . 20 ILE HG13 . 15257 1 540 . 3 2 20 20 ILE HG21 H 1 0.596 0.015 . 1 . . . . 20 ILE HG2 . 15257 1 541 . 3 2 20 20 ILE HG22 H 1 0.596 0.015 . 1 . . . . 20 ILE HG2 . 15257 1 542 . 3 2 20 20 ILE HG23 H 1 0.596 0.015 . 1 . . . . 20 ILE HG2 . 15257 1 543 . 3 2 20 20 ILE CA C 13 59.047 0.200 . 1 . . . . 20 ILE CA . 15257 1 544 . 3 2 20 20 ILE CB C 13 40.616 0.200 . 1 . . . . 20 ILE CB . 15257 1 545 . 3 2 20 20 ILE CD1 C 13 14.417 0.200 . 1 . . . . 20 ILE CD1 . 15257 1 546 . 3 2 20 20 ILE CG1 C 13 27.575 0.200 . 1 . . . . 20 ILE CG1 . 15257 1 547 . 3 2 20 20 ILE CG2 C 13 17.551 0.200 . 1 . . . . 20 ILE CG2 . 15257 1 548 . 3 2 20 20 ILE N N 15 123.052 0.100 . 1 . . . . 20 ILE N . 15257 1 549 . 3 2 21 21 THR H H 1 9.417 0.015 . 1 . . . . 21 THR H . 15257 1 550 . 3 2 21 21 THR HA H 1 4.859 0.015 . 1 . . . . 21 THR HA . 15257 1 551 . 3 2 21 21 THR HB H 1 3.376 0.015 . 1 . . . . 21 THR HB . 15257 1 552 . 3 2 21 21 THR HG21 H 1 0.879 0.015 . 1 . . . . 21 THR HG2 . 15257 1 553 . 3 2 21 21 THR HG22 H 1 0.879 0.015 . 1 . . . . 21 THR HG2 . 15257 1 554 . 3 2 21 21 THR HG23 H 1 0.879 0.015 . 1 . . . . 21 THR HG2 . 15257 1 555 . 3 2 21 21 THR CA C 13 61.586 0.200 . 1 . . . . 21 THR CA . 15257 1 556 . 3 2 21 21 THR CB C 13 72.144 0.200 . 1 . . . . 21 THR CB . 15257 1 557 . 3 2 21 21 THR CG2 C 13 21.348 0.200 . 1 . . . . 21 THR CG2 . 15257 1 558 . 3 2 21 21 THR N N 15 123.551 0.100 . 1 . . . . 21 THR N . 15257 1 559 . 3 2 22 22 ILE H H 1 8.050 0.015 . 1 . . . . 22 ILE H . 15257 1 560 . 3 2 22 22 ILE HA H 1 4.142 0.015 . 1 . . . . 22 ILE HA . 15257 1 561 . 3 2 22 22 ILE HB H 1 2.450 0.015 . 1 . . . . 22 ILE HB . 15257 1 562 . 3 2 22 22 ILE HD11 H 1 0.512 0.015 . 1 . . . . 22 ILE HD1 . 15257 1 563 . 3 2 22 22 ILE HD12 H 1 0.512 0.015 . 1 . . . . 22 ILE HD1 . 15257 1 564 . 3 2 22 22 ILE HD13 H 1 0.512 0.015 . 1 . . . . 22 ILE HD1 . 15257 1 565 . 3 2 22 22 ILE HG13 H 1 1.067 0.015 . 2 . . . . 22 ILE HG13 . 15257 1 566 . 3 2 22 22 ILE HG21 H 1 0.733 0.015 . 1 . . . . 22 ILE HG2 . 15257 1 567 . 3 2 22 22 ILE HG22 H 1 0.733 0.015 . 1 . . . . 22 ILE HG2 . 15257 1 568 . 3 2 22 22 ILE HG23 H 1 0.733 0.015 . 1 . . . . 22 ILE HG2 . 15257 1 569 . 3 2 22 22 ILE CA C 13 59.370 0.200 . 1 . . . . 22 ILE CA . 15257 1 570 . 3 2 22 22 ILE CB C 13 34.068 0.200 . 1 . . . . 22 ILE CB . 15257 1 571 . 3 2 22 22 ILE CD1 C 13 9.194 0.200 . 1 . . . . 22 ILE CD1 . 15257 1 572 . 3 2 22 22 ILE CG1 C 13 27.180 0.200 . 1 . . . . 22 ILE CG1 . 15257 1 573 . 3 2 22 22 ILE CG2 C 13 18.430 0.200 . 1 . . . . 22 ILE CG2 . 15257 1 574 . 3 2 22 22 ILE N N 15 125.783 0.100 . 1 . . . . 22 ILE N . 15257 1 575 . 3 2 23 23 LEU H H 1 8.868 0.015 . 1 . . . . 23 LEU H . 15257 1 576 . 3 2 23 23 LEU HA H 1 4.525 0.015 . 1 . . . . 23 LEU HA . 15257 1 577 . 3 2 23 23 LEU HB3 H 1 1.525 0.015 . 2 . . . . 23 LEU HB3 . 15257 1 578 . 3 2 23 23 LEU HD11 H 1 0.741 0.015 . 2 . . . . 23 LEU HD1 . 15257 1 579 . 3 2 23 23 LEU HD12 H 1 0.741 0.015 . 2 . . . . 23 LEU HD1 . 15257 1 580 . 3 2 23 23 LEU HD13 H 1 0.741 0.015 . 2 . . . . 23 LEU HD1 . 15257 1 581 . 3 2 23 23 LEU HD21 H 1 0.609 0.015 . 2 . . . . 23 LEU HD2 . 15257 1 582 . 3 2 23 23 LEU HD22 H 1 0.609 0.015 . 2 . . . . 23 LEU HD2 . 15257 1 583 . 3 2 23 23 LEU HD23 H 1 0.609 0.015 . 2 . . . . 23 LEU HD2 . 15257 1 584 . 3 2 23 23 LEU HG H 1 1.496 0.015 . 1 . . . . 23 LEU HG . 15257 1 585 . 3 2 23 23 LEU CA C 13 55.540 0.200 . 1 . . . . 23 LEU CA . 15257 1 586 . 3 2 23 23 LEU CB C 13 42.514 0.200 . 1 . . . . 23 LEU CB . 15257 1 587 . 3 2 23 23 LEU CD1 C 13 26.694 0.200 . 2 . . . . 23 LEU CD1 . 15257 1 588 . 3 2 23 23 LEU CD2 C 13 22.104 0.200 . 2 . . . . 23 LEU CD2 . 15257 1 589 . 3 2 23 23 LEU CG C 13 26.731 0.200 . 1 . . . . 23 LEU CG . 15257 1 590 . 3 2 23 23 LEU N N 15 128.902 0.100 . 1 . . . . 23 LEU N . 15257 1 591 . 3 2 24 24 GLY H H 1 7.522 0.015 . 1 . . . . 24 GLY H . 15257 1 592 . 3 2 24 24 GLY HA2 H 1 4.152 0.015 . 2 . . . . 24 GLY HA2 . 15257 1 593 . 3 2 24 24 GLY HA3 H 1 4.011 0.015 . 2 . . . . 24 GLY HA3 . 15257 1 594 . 3 2 24 24 GLY CA C 13 46.188 0.200 . 1 . . . . 24 GLY CA . 15257 1 595 . 3 2 24 24 GLY N N 15 105.169 0.100 . 1 . . . . 24 GLY N . 15257 1 596 . 3 2 25 25 VAL H H 1 8.475 0.015 . 1 . . . . 25 VAL H . 15257 1 597 . 3 2 25 25 VAL HA H 1 4.659 0.015 . 1 . . . . 25 VAL HA . 15257 1 598 . 3 2 25 25 VAL HB H 1 1.803 0.015 . 1 . . . . 25 VAL HB . 15257 1 599 . 3 2 25 25 VAL HG11 H 1 0.710 0.015 . 2 . . . . 25 VAL HG1 . 15257 1 600 . 3 2 25 25 VAL HG12 H 1 0.710 0.015 . 2 . . . . 25 VAL HG1 . 15257 1 601 . 3 2 25 25 VAL HG13 H 1 0.710 0.015 . 2 . . . . 25 VAL HG1 . 15257 1 602 . 3 2 25 25 VAL HG21 H 1 0.804 0.015 . 2 . . . . 25 VAL HG2 . 15257 1 603 . 3 2 25 25 VAL HG22 H 1 0.804 0.015 . 2 . . . . 25 VAL HG2 . 15257 1 604 . 3 2 25 25 VAL HG23 H 1 0.804 0.015 . 2 . . . . 25 VAL HG2 . 15257 1 605 . 3 2 25 25 VAL CA C 13 61.604 0.200 . 1 . . . . 25 VAL CA . 15257 1 606 . 3 2 25 25 VAL CB C 13 35.776 0.200 . 1 . . . . 25 VAL CB . 15257 1 607 . 3 2 25 25 VAL CG1 C 13 21.587 0.200 . 2 . . . . 25 VAL CG1 . 15257 1 608 . 3 2 25 25 VAL CG2 C 13 22.060 0.200 . 2 . . . . 25 VAL CG2 . 15257 1 609 . 3 2 25 25 VAL N N 15 120.921 0.100 . 1 . . . . 25 VAL N . 15257 1 610 . 3 2 26 26 SER H H 1 8.580 0.015 . 1 . . . . 26 SER H . 15257 1 611 . 3 2 26 26 SER HA H 1 4.679 0.015 . 1 . . . . 26 SER HA . 15257 1 612 . 3 2 26 26 SER HB2 H 1 3.684 0.015 . 2 . . . . 26 SER HB2 . 15257 1 613 . 3 2 26 26 SER HB3 H 1 3.648 0.015 . 2 . . . . 26 SER HB3 . 15257 1 614 . 3 2 26 26 SER CA C 13 56.493 0.200 . 1 . . . . 26 SER CA . 15257 1 615 . 3 2 26 26 SER CB C 13 63.965 0.200 . 1 . . . . 26 SER CB . 15257 1 616 . 3 2 26 26 SER N N 15 121.820 0.100 . 1 . . . . 26 SER N . 15257 1 617 . 3 2 27 27 GLY H H 1 9.021 0.015 . 1 . . . . 27 GLY H . 15257 1 618 . 3 2 27 27 GLY HA2 H 1 3.697 0.015 . 2 . . . . 27 GLY HA2 . 15257 1 619 . 3 2 27 27 GLY HA3 H 1 4.134 0.015 . 2 . . . . 27 GLY HA3 . 15257 1 620 . 3 2 27 27 GLY CA C 13 47.677 0.200 . 1 . . . . 27 GLY CA . 15257 1 621 . 3 2 27 27 GLY N N 15 118.886 0.100 . 1 . . . . 27 GLY N . 15257 1 622 . 3 2 28 28 GLN H H 1 8.701 0.015 . 1 . . . . 28 GLN H . 15257 1 623 . 3 2 28 28 GLN HA H 1 4.328 0.015 . 1 . . . . 28 GLN HA . 15257 1 624 . 3 2 28 28 GLN HB2 H 1 2.383 0.015 . 2 . . . . 28 GLN HB2 . 15257 1 625 . 3 2 28 28 GLN HB3 H 1 1.979 0.015 . 2 . . . . 28 GLN HB3 . 15257 1 626 . 3 2 28 28 GLN HE21 H 1 7.651 0.015 . 2 . . . . 28 GLN HE21 . 15257 1 627 . 3 2 28 28 GLN HE22 H 1 6.861 0.015 . 2 . . . . 28 GLN HE22 . 15257 1 628 . 3 2 28 28 GLN HG2 H 1 2.376 0.015 . 2 . . . . 28 GLN HG2 . 15257 1 629 . 3 2 28 28 GLN HG3 H 1 2.376 0.015 . 2 . . . . 28 GLN HG3 . 15257 1 630 . 3 2 28 28 GLN CA C 13 54.991 0.200 . 1 . . . . 28 GLN CA . 15257 1 631 . 3 2 28 28 GLN CB C 13 29.660 0.200 . 1 . . . . 28 GLN CB . 15257 1 632 . 3 2 28 28 GLN CG C 13 34.280 0.200 . 1 . . . . 28 GLN CG . 15257 1 633 . 3 2 28 28 GLN N N 15 124.102 0.100 . 1 . . . . 28 GLN N . 15257 1 634 . 3 2 28 28 GLN NE2 N 15 113.648 0.200 . 1 . . . . 28 GLN NE2 . 15257 1 635 . 3 2 29 29 GLN H H 1 8.217 0.015 . 1 . . . . 29 GLN H . 15257 1 636 . 3 2 29 29 GLN HA H 1 4.702 0.015 . 1 . . . . 29 GLN HA . 15257 1 637 . 3 2 29 29 GLN HB2 H 1 2.067 0.015 . 2 . . . . 29 GLN HB2 . 15257 1 638 . 3 2 29 29 GLN HB3 H 1 1.897 0.015 . 2 . . . . 29 GLN HB3 . 15257 1 639 . 3 2 29 29 GLN HE21 H 1 7.301 0.015 . 2 . . . . 29 GLN HE21 . 15257 1 640 . 3 2 29 29 GLN HE22 H 1 7.263 0.015 . 2 . . . . 29 GLN HE22 . 15257 1 641 . 3 2 29 29 GLN HG2 H 1 2.320 0.015 . 2 . . . . 29 GLN HG2 . 15257 1 642 . 3 2 29 29 GLN HG3 H 1 2.149 0.015 . 2 . . . . 29 GLN HG3 . 15257 1 643 . 3 2 29 29 GLN CA C 13 55.323 0.200 . 1 . . . . 29 GLN CA . 15257 1 644 . 3 2 29 29 GLN CB C 13 31.502 0.200 . 1 . . . . 29 GLN CB . 15257 1 645 . 3 2 29 29 GLN CG C 13 34.727 0.200 . 1 . . . . 29 GLN CG . 15257 1 646 . 3 2 29 29 GLN N N 15 116.421 0.100 . 1 . . . . 29 GLN N . 15257 1 647 . 3 2 29 29 GLN NE2 N 15 111.250 0.100 . 1 . . . . 29 GLN NE2 . 15257 1 648 . 3 2 30 30 VAL H H 1 9.076 0.015 . 1 . . . . 30 VAL H . 15257 1 649 . 3 2 30 30 VAL HA H 1 4.639 0.015 . 1 . . . . 30 VAL HA . 15257 1 650 . 3 2 30 30 VAL HB H 1 2.046 0.015 . 1 . . . . 30 VAL HB . 15257 1 651 . 3 2 30 30 VAL HG11 H 1 0.949 0.015 . 2 . . . . 30 VAL HG1 . 15257 1 652 . 3 2 30 30 VAL HG12 H 1 0.949 0.015 . 2 . . . . 30 VAL HG1 . 15257 1 653 . 3 2 30 30 VAL HG13 H 1 0.949 0.015 . 2 . . . . 30 VAL HG1 . 15257 1 654 . 3 2 30 30 VAL HG21 H 1 0.852 0.015 . 2 . . . . 30 VAL HG2 . 15257 1 655 . 3 2 30 30 VAL HG22 H 1 0.852 0.015 . 2 . . . . 30 VAL HG2 . 15257 1 656 . 3 2 30 30 VAL HG23 H 1 0.852 0.015 . 2 . . . . 30 VAL HG2 . 15257 1 657 . 3 2 30 30 VAL CA C 13 60.691 0.200 . 1 . . . . 30 VAL CA . 15257 1 658 . 3 2 30 30 VAL CB C 13 34.874 0.200 . 1 . . . . 30 VAL CB . 15257 1 659 . 3 2 30 30 VAL CG1 C 13 22.791 0.200 . 2 . . . . 30 VAL CG1 . 15257 1 660 . 3 2 30 30 VAL CG2 C 13 22.641 0.200 . 2 . . . . 30 VAL CG2 . 15257 1 661 . 3 2 30 30 VAL N N 15 123.021 0.100 . 1 . . . . 30 VAL N . 15257 1 662 . 3 2 31 31 ARG H H 1 8.694 0.015 . 1 . . . . 31 ARG H . 15257 1 663 . 3 2 31 31 ARG HA H 1 4.715 0.015 . 1 . . . . 31 ARG HA . 15257 1 664 . 3 2 31 31 ARG HB2 H 1 1.449 0.015 . 2 . . . . 31 ARG HB2 . 15257 1 665 . 3 2 31 31 ARG HB3 H 1 1.648 0.015 . 2 . . . . 31 ARG HB3 . 15257 1 666 . 3 2 31 31 ARG HD2 H 1 3.054 0.015 . 2 . . . . 31 ARG HD2 . 15257 1 667 . 3 2 31 31 ARG HE H 1 7.244 0.015 . 1 . . . . 31 ARG HE . 15257 1 668 . 3 2 31 31 ARG HG2 H 1 1.584 0.015 . 2 . . . . 31 ARG HG2 . 15257 1 669 . 3 2 31 31 ARG HG3 H 1 1.530 0.015 . 2 . . . . 31 ARG HG3 . 15257 1 670 . 3 2 31 31 ARG CA C 13 55.987 0.200 . 1 . . . . 31 ARG CA . 15257 1 671 . 3 2 31 31 ARG CB C 13 32.093 0.200 . 1 . . . . 31 ARG CB . 15257 1 672 . 3 2 31 31 ARG CD C 13 43.888 0.200 . 1 . . . . 31 ARG CD . 15257 1 673 . 3 2 31 31 ARG CG C 13 28.066 0.200 . 1 . . . . 31 ARG CG . 15257 1 674 . 3 2 31 31 ARG N N 15 127.820 0.100 . 1 . . . . 31 ARG N . 15257 1 675 . 3 2 32 32 ILE H H 1 9.050 0.015 . 1 . . . . 32 ILE H . 15257 1 676 . 3 2 32 32 ILE HA H 1 4.668 0.015 . 1 . . . . 32 ILE HA . 15257 1 677 . 3 2 32 32 ILE HB H 1 1.635 0.015 . 1 . . . . 32 ILE HB . 15257 1 678 . 3 2 32 32 ILE HD11 H 1 0.566 0.015 . 1 . . . . 32 ILE HD1 . 15257 1 679 . 3 2 32 32 ILE HD12 H 1 0.566 0.015 . 1 . . . . 32 ILE HD1 . 15257 1 680 . 3 2 32 32 ILE HD13 H 1 0.566 0.015 . 1 . . . . 32 ILE HD1 . 15257 1 681 . 3 2 32 32 ILE HG12 H 1 1.441 0.015 . 2 . . . . 32 ILE HG12 . 15257 1 682 . 3 2 32 32 ILE HG13 H 1 0.885 0.015 . 2 . . . . 32 ILE HG13 . 15257 1 683 . 3 2 32 32 ILE HG21 H 1 0.630 0.015 . 1 . . . . 32 ILE HG2 . 15257 1 684 . 3 2 32 32 ILE HG22 H 1 0.630 0.015 . 1 . . . . 32 ILE HG2 . 15257 1 685 . 3 2 32 32 ILE HG23 H 1 0.630 0.015 . 1 . . . . 32 ILE HG2 . 15257 1 686 . 3 2 32 32 ILE CA C 13 59.735 0.200 . 1 . . . . 32 ILE CA . 15257 1 687 . 3 2 32 32 ILE CB C 13 41.143 0.200 . 1 . . . . 32 ILE CB . 15257 1 688 . 3 2 32 32 ILE CD1 C 13 14.344 0.200 . 1 . . . . 32 ILE CD1 . 15257 1 689 . 3 2 32 32 ILE CG1 C 13 28.116 0.200 . 1 . . . . 32 ILE CG1 . 15257 1 690 . 3 2 32 32 ILE CG2 C 13 18.487 0.200 . 1 . . . . 32 ILE CG2 . 15257 1 691 . 3 2 32 32 ILE N N 15 127.176 0.100 . 1 . . . . 32 ILE N . 15257 1 692 . 3 2 33 33 GLY H H 1 9.136 0.015 . 1 . . . . 33 GLY H . 15257 1 693 . 3 2 33 33 GLY HA2 H 1 3.621 0.015 . 2 . . . . 33 GLY HA2 . 15257 1 694 . 3 2 33 33 GLY HA3 H 1 5.240 0.015 . 2 . . . . 33 GLY HA3 . 15257 1 695 . 3 2 33 33 GLY CA C 13 44.757 0.200 . 1 . . . . 33 GLY CA . 15257 1 696 . 3 2 33 33 GLY N N 15 112.063 0.100 . 1 . . . . 33 GLY N . 15257 1 697 . 3 2 34 34 ILE H H 1 9.671 0.015 . 1 . . . . 34 ILE H . 15257 1 698 . 3 2 34 34 ILE HA H 1 4.866 0.015 . 1 . . . . 34 ILE HA . 15257 1 699 . 3 2 34 34 ILE HB H 1 1.513 0.015 . 1 . . . . 34 ILE HB . 15257 1 700 . 3 2 34 34 ILE HD11 H 1 0.591 0.015 . 1 . . . . 34 ILE HD1 . 15257 1 701 . 3 2 34 34 ILE HD12 H 1 0.591 0.015 . 1 . . . . 34 ILE HD1 . 15257 1 702 . 3 2 34 34 ILE HD13 H 1 0.591 0.015 . 1 . . . . 34 ILE HD1 . 15257 1 703 . 3 2 34 34 ILE HG12 H 1 1.295 0.015 . 2 . . . . 34 ILE HG12 . 15257 1 704 . 3 2 34 34 ILE HG13 H 1 0.809 0.015 . 2 . . . . 34 ILE HG13 . 15257 1 705 . 3 2 34 34 ILE HG21 H 1 0.656 0.015 . 1 . . . . 34 ILE HG2 . 15257 1 706 . 3 2 34 34 ILE HG22 H 1 0.656 0.015 . 1 . . . . 34 ILE HG2 . 15257 1 707 . 3 2 34 34 ILE HG23 H 1 0.656 0.015 . 1 . . . . 34 ILE HG2 . 15257 1 708 . 3 2 34 34 ILE CA C 13 61.250 0.200 . 1 . . . . 34 ILE CA . 15257 1 709 . 3 2 34 34 ILE CB C 13 41.567 0.200 . 1 . . . . 34 ILE CB . 15257 1 710 . 3 2 34 34 ILE CD1 C 13 16.583 0.200 . 1 . . . . 34 ILE CD1 . 15257 1 711 . 3 2 34 34 ILE CG1 C 13 29.695 0.200 . 1 . . . . 34 ILE CG1 . 15257 1 712 . 3 2 34 34 ILE CG2 C 13 19.816 0.200 . 1 . . . . 34 ILE CG2 . 15257 1 713 . 3 2 34 34 ILE N N 15 124.740 0.100 . 1 . . . . 34 ILE N . 15257 1 714 . 3 2 35 35 ASN H H 1 9.013 0.015 . 1 . . . . 35 ASN H . 15257 1 715 . 3 2 35 35 ASN HA H 1 5.101 0.015 . 1 . . . . 35 ASN HA . 15257 1 716 . 3 2 35 35 ASN HB2 H 1 2.826 0.015 . 2 . . . . 35 ASN HB2 . 15257 1 717 . 3 2 35 35 ASN HB3 H 1 2.589 0.015 . 2 . . . . 35 ASN HB3 . 15257 1 718 . 3 2 35 35 ASN HD21 H 1 7.317 0.015 . 2 . . . . 35 ASN HD21 . 15257 1 719 . 3 2 35 35 ASN HD22 H 1 6.740 0.015 . 2 . . . . 35 ASN HD22 . 15257 1 720 . 3 2 35 35 ASN CA C 13 52.214 0.200 . 1 . . . . 35 ASN CA . 15257 1 721 . 3 2 35 35 ASN CB C 13 40.273 0.200 . 1 . . . . 35 ASN CB . 15257 1 722 . 3 2 35 35 ASN N N 15 129.440 0.100 . 1 . . . . 35 ASN N . 15257 1 723 . 3 2 35 35 ASN ND2 N 15 112.648 0.100 . 1 . . . . 35 ASN ND2 . 15257 1 724 . 3 2 36 36 ALA H H 1 8.207 0.015 . 1 . . . . 36 ALA H . 15257 1 725 . 3 2 36 36 ALA HA H 1 5.057 0.015 . 1 . . . . 36 ALA HA . 15257 1 726 . 3 2 36 36 ALA HB1 H 1 1.076 0.015 . 1 . . . . 36 ALA HB . 15257 1 727 . 3 2 36 36 ALA HB2 H 1 1.076 0.015 . 1 . . . . 36 ALA HB . 15257 1 728 . 3 2 36 36 ALA HB3 H 1 1.076 0.015 . 1 . . . . 36 ALA HB . 15257 1 729 . 3 2 36 36 ALA CA C 13 49.504 0.200 . 1 . . . . 36 ALA CA . 15257 1 730 . 3 2 36 36 ALA CB C 13 20.059 0.200 . 1 . . . . 36 ALA CB . 15257 1 731 . 3 2 36 36 ALA N N 15 125.388 0.100 . 1 . . . . 36 ALA N . 15257 1 732 . 3 2 37 37 PRO HA H 1 4.411 0.015 . 1 . . . . 37 PRO HA . 15257 1 733 . 3 2 37 37 PRO HB2 H 1 2.417 0.015 . 2 . . . . 37 PRO HB2 . 15257 1 734 . 3 2 37 37 PRO HD2 H 1 3.930 0.015 . 2 . . . . 37 PRO HD2 . 15257 1 735 . 3 2 37 37 PRO HD3 H 1 3.056 0.015 . 2 . . . . 37 PRO HD3 . 15257 1 736 . 3 2 37 37 PRO HG2 H 1 2.094 0.015 . 2 . . . . 37 PRO HG2 . 15257 1 737 . 3 2 37 37 PRO HG3 H 1 1.937 0.015 . 2 . . . . 37 PRO HG3 . 15257 1 738 . 3 2 37 37 PRO CA C 13 63.044 0.200 . 1 . . . . 37 PRO CA . 15257 1 739 . 3 2 37 37 PRO CB C 13 32.490 0.200 . 1 . . . . 37 PRO CB . 15257 1 740 . 3 2 37 37 PRO CD C 13 50.574 0.200 . 1 . . . . 37 PRO CD . 15257 1 741 . 3 2 37 37 PRO CG C 13 28.252 0.200 . 1 . . . . 37 PRO CG . 15257 1 742 . 3 2 38 38 LYS H H 1 8.554 0.015 . 1 . . . . 38 LYS H . 15257 1 743 . 3 2 38 38 LYS HA H 1 3.788 0.015 . 1 . . . . 38 LYS HA . 15257 1 744 . 3 2 38 38 LYS HB2 H 1 1.707 0.015 . 2 . . . . 38 LYS HB2 . 15257 1 745 . 3 2 38 38 LYS HD2 H 1 1.558 0.015 . 2 . . . . 38 LYS HD2 . 15257 1 746 . 3 2 38 38 LYS HD3 H 1 1.516 0.015 . 2 . . . . 38 LYS HD3 . 15257 1 747 . 3 2 38 38 LYS HE2 H 1 3.008 0.015 . 2 . . . . 38 LYS HE2 . 15257 1 748 . 3 2 38 38 LYS HE3 H 1 2.940 0.015 . 2 . . . . 38 LYS HE3 . 15257 1 749 . 3 2 38 38 LYS HG2 H 1 1.443 0.015 . 2 . . . . 38 LYS HG2 . 15257 1 750 . 3 2 38 38 LYS HG3 H 1 1.392 0.015 . 2 . . . . 38 LYS HG3 . 15257 1 751 . 3 2 38 38 LYS CA C 13 58.825 0.200 . 1 . . . . 38 LYS CA . 15257 1 752 . 3 2 38 38 LYS CB C 13 31.955 0.200 . 1 . . . . 38 LYS CB . 15257 1 753 . 3 2 38 38 LYS CD C 13 28.352 0.200 . 1 . . . . 38 LYS CD . 15257 1 754 . 3 2 38 38 LYS CE C 13 42.002 0.200 . 1 . . . . 38 LYS CE . 15257 1 755 . 3 2 38 38 LYS CG C 13 25.170 0.200 . 1 . . . . 38 LYS CG . 15257 1 756 . 3 2 38 38 LYS N N 15 120.919 0.100 . 1 . . . . 38 LYS N . 15257 1 757 . 3 2 39 39 ASP H H 1 8.151 0.015 . 1 . . . . 39 ASP H . 15257 1 758 . 3 2 39 39 ASP HA H 1 4.349 0.015 . 1 . . . . 39 ASP HA . 15257 1 759 . 3 2 39 39 ASP HB2 H 1 2.665 0.015 . 2 . . . . 39 ASP HB2 . 15257 1 760 . 3 2 39 39 ASP HB3 H 1 2.538 0.015 . 2 . . . . 39 ASP HB3 . 15257 1 761 . 3 2 39 39 ASP CA C 13 54.125 0.200 . 1 . . . . 39 ASP CA . 15257 1 762 . 3 2 39 39 ASP CB C 13 39.871 0.200 . 1 . . . . 39 ASP CB . 15257 1 763 . 3 2 39 39 ASP N N 15 113.731 0.100 . 1 . . . . 39 ASP N . 15257 1 764 . 3 2 40 40 VAL H H 1 8.036 0.015 . 1 . . . . 40 VAL H . 15257 1 765 . 3 2 40 40 VAL HA H 1 3.972 0.015 . 1 . . . . 40 VAL HA . 15257 1 766 . 3 2 40 40 VAL HB H 1 2.078 0.015 . 1 . . . . 40 VAL HB . 15257 1 767 . 3 2 40 40 VAL HG11 H 1 0.807 0.015 . 2 . . . . 40 VAL HG1 . 15257 1 768 . 3 2 40 40 VAL HG12 H 1 0.807 0.015 . 2 . . . . 40 VAL HG1 . 15257 1 769 . 3 2 40 40 VAL HG13 H 1 0.807 0.015 . 2 . . . . 40 VAL HG1 . 15257 1 770 . 3 2 40 40 VAL HG21 H 1 0.669 0.015 . 2 . . . . 40 VAL HG2 . 15257 1 771 . 3 2 40 40 VAL HG22 H 1 0.669 0.015 . 2 . . . . 40 VAL HG2 . 15257 1 772 . 3 2 40 40 VAL HG23 H 1 0.669 0.015 . 2 . . . . 40 VAL HG2 . 15257 1 773 . 3 2 40 40 VAL CA C 13 62.009 0.200 . 1 . . . . 40 VAL CA . 15257 1 774 . 3 2 40 40 VAL CB C 13 32.039 0.200 . 1 . . . . 40 VAL CB . 15257 1 775 . 3 2 40 40 VAL CG1 C 13 21.376 0.200 . 2 . . . . 40 VAL CG1 . 15257 1 776 . 3 2 40 40 VAL CG2 C 13 21.244 0.200 . 2 . . . . 40 VAL CG2 . 15257 1 777 . 3 2 40 40 VAL N N 15 122.590 0.100 . 1 . . . . 40 VAL N . 15257 1 778 . 3 2 41 41 ALA H H 1 8.902 0.015 . 1 . . . . 41 ALA H . 15257 1 779 . 3 2 41 41 ALA HA H 1 4.453 0.015 . 1 . . . . 41 ALA HA . 15257 1 780 . 3 2 41 41 ALA HB1 H 1 1.310 0.015 . 1 . . . . 41 ALA HB . 15257 1 781 . 3 2 41 41 ALA HB2 H 1 1.310 0.015 . 1 . . . . 41 ALA HB . 15257 1 782 . 3 2 41 41 ALA HB3 H 1 1.310 0.015 . 1 . . . . 41 ALA HB . 15257 1 783 . 3 2 41 41 ALA CA C 13 52.350 0.200 . 1 . . . . 41 ALA CA . 15257 1 784 . 3 2 41 41 ALA CB C 13 18.980 0.200 . 1 . . . . 41 ALA CB . 15257 1 785 . 3 2 41 41 ALA N N 15 133.581 0.100 . 1 . . . . 41 ALA N . 15257 1 786 . 3 2 42 42 VAL H H 1 7.874 0.015 . 1 . . . . 42 VAL H . 15257 1 787 . 3 2 42 42 VAL HA H 1 4.418 0.015 . 1 . . . . 42 VAL HA . 15257 1 788 . 3 2 42 42 VAL HB H 1 1.172 0.015 . 1 . . . . 42 VAL HB . 15257 1 789 . 3 2 42 42 VAL HG11 H 1 0.618 0.015 . 2 . . . . 42 VAL HG1 . 15257 1 790 . 3 2 42 42 VAL HG12 H 1 0.618 0.015 . 2 . . . . 42 VAL HG1 . 15257 1 791 . 3 2 42 42 VAL HG13 H 1 0.618 0.015 . 2 . . . . 42 VAL HG1 . 15257 1 792 . 3 2 42 42 VAL HG21 H 1 0.357 0.015 . 2 . . . . 42 VAL HG2 . 15257 1 793 . 3 2 42 42 VAL HG22 H 1 0.357 0.015 . 2 . . . . 42 VAL HG2 . 15257 1 794 . 3 2 42 42 VAL HG23 H 1 0.357 0.015 . 2 . . . . 42 VAL HG2 . 15257 1 795 . 3 2 42 42 VAL CA C 13 60.706 0.200 . 1 . . . . 42 VAL CA . 15257 1 796 . 3 2 42 42 VAL CB C 13 33.750 0.200 . 1 . . . . 42 VAL CB . 15257 1 797 . 3 2 42 42 VAL CG1 C 13 20.385 0.200 . 2 . . . . 42 VAL CG1 . 15257 1 798 . 3 2 42 42 VAL CG2 C 13 22.302 0.200 . 2 . . . . 42 VAL CG2 . 15257 1 799 . 3 2 42 42 VAL N N 15 125.294 0.100 . 1 . . . . 42 VAL N . 15257 1 800 . 3 2 43 43 HIS H H 1 8.581 0.015 . 1 . . . . 43 HIS H . 15257 1 801 . 3 2 43 43 HIS HA H 1 5.542 0.015 . 1 . . . . 43 HIS HA . 15257 1 802 . 3 2 43 43 HIS HB2 H 1 3.332 0.015 . 2 . . . . 43 HIS HB2 . 15257 1 803 . 3 2 43 43 HIS HB3 H 1 2.502 0.015 . 2 . . . . 43 HIS HB3 . 15257 1 804 . 3 2 43 43 HIS HD2 H 1 6.919 0.015 . 1 . . . . 43 HIS HD2 . 15257 1 805 . 3 2 43 43 HIS HE1 H 1 7.803 0.015 . 1 . . . . 43 HIS HE1 . 15257 1 806 . 3 2 43 43 HIS CA C 13 53.885 0.200 . 1 . . . . 43 HIS CA . 15257 1 807 . 3 2 43 43 HIS CB C 13 37.943 0.200 . 1 . . . . 43 HIS CB . 15257 1 808 . 3 2 43 43 HIS N N 15 118.550 0.100 . 1 . . . . 43 HIS N . 15257 1 809 . 3 2 44 44 ARG H H 1 8.404 0.015 . 1 . . . . 44 ARG H . 15257 1 810 . 3 2 44 44 ARG HA H 1 3.944 0.015 . 1 . . . . 44 ARG HA . 15257 1 811 . 3 2 44 44 ARG HD2 H 1 3.130 0.015 . 2 . . . . 44 ARG HD2 . 15257 1 812 . 3 2 44 44 ARG HD3 H 1 2.998 0.015 . 2 . . . . 44 ARG HD3 . 15257 1 813 . 3 2 44 44 ARG HE H 1 5.790 0.015 . 1 . . . . 44 ARG HE . 15257 1 814 . 3 2 44 44 ARG CA C 13 58.470 0.200 . 1 . . . . 44 ARG CA . 15257 1 815 . 3 2 44 44 ARG CD C 13 44.176 0.200 . 1 . . . . 44 ARG CD . 15257 1 816 . 3 2 44 44 ARG N N 15 121.687 0.100 . 1 . . . . 44 ARG N . 15257 1 817 . 3 2 45 45 GLU H H 1 7.921 0.015 . 1 . . . . 45 GLU H . 15257 1 818 . 3 2 45 45 GLU HA H 1 4.402 0.015 . 1 . . . . 45 GLU HA . 15257 1 819 . 3 2 45 45 GLU HB2 H 1 1.953 0.015 . 2 . . . . 45 GLU HB2 . 15257 1 820 . 3 2 45 45 GLU HB3 H 1 1.953 0.015 . 2 . . . . 45 GLU HB3 . 15257 1 821 . 3 2 45 45 GLU HG2 H 1 2.384 0.015 . 2 . . . . 45 GLU HG2 . 15257 1 822 . 3 2 45 45 GLU HG3 H 1 2.206 0.015 . 2 . . . . 45 GLU HG3 . 15257 1 823 . 3 2 45 45 GLU CA C 13 59.978 0.200 . 1 . . . . 45 GLU CA . 15257 1 824 . 3 2 45 45 GLU CB C 13 30.056 0.200 . 1 . . . . 45 GLU CB . 15257 1 825 . 3 2 45 45 GLU CG C 13 35.990 0.200 . 1 . . . . 45 GLU CG . 15257 1 826 . 3 2 45 45 GLU N N 15 125.952 0.100 . 1 . . . . 45 GLU N . 15257 1 827 . 3 2 46 46 GLU H H 1 10.740 0.015 . 1 . . . . 46 GLU H . 15257 1 828 . 3 2 46 46 GLU HA H 1 4.235 0.015 . 1 . . . . 46 GLU HA . 15257 1 829 . 3 2 46 46 GLU HB2 H 1 2.247 0.015 . 2 . . . . 46 GLU HB2 . 15257 1 830 . 3 2 46 46 GLU HB3 H 1 1.881 0.015 . 2 . . . . 46 GLU HB3 . 15257 1 831 . 3 2 46 46 GLU HG2 H 1 2.562 0.015 . 2 . . . . 46 GLU HG2 . 15257 1 832 . 3 2 46 46 GLU HG3 H 1 2.101 0.015 . 2 . . . . 46 GLU HG3 . 15257 1 833 . 3 2 46 46 GLU CA C 13 58.754 0.200 . 1 . . . . 46 GLU CA . 15257 1 834 . 3 2 46 46 GLU CB C 13 27.071 0.200 . 1 . . . . 46 GLU CB . 15257 1 835 . 3 2 46 46 GLU CG C 13 34.962 0.200 . 1 . . . . 46 GLU CG . 15257 1 836 . 3 2 46 46 GLU N N 15 117.965 0.100 . 1 . . . . 46 GLU N . 15257 1 837 . 3 2 47 47 ILE H H 1 7.161 0.015 . 1 . . . . 47 ILE H . 15257 1 838 . 3 2 47 47 ILE HA H 1 3.717 0.015 . 1 . . . . 47 ILE HA . 15257 1 839 . 3 2 47 47 ILE HB H 1 2.238 0.015 . 1 . . . . 47 ILE HB . 15257 1 840 . 3 2 47 47 ILE HD11 H 1 0.532 0.015 . 1 . . . . 47 ILE HD1 . 15257 1 841 . 3 2 47 47 ILE HD12 H 1 0.532 0.015 . 1 . . . . 47 ILE HD1 . 15257 1 842 . 3 2 47 47 ILE HD13 H 1 0.532 0.015 . 1 . . . . 47 ILE HD1 . 15257 1 843 . 3 2 47 47 ILE HG12 H 1 1.360 0.015 . 2 . . . . 47 ILE HG12 . 15257 1 844 . 3 2 47 47 ILE HG13 H 1 1.232 0.015 . 2 . . . . 47 ILE HG13 . 15257 1 845 . 3 2 47 47 ILE HG21 H 1 0.198 0.015 . 1 . . . . 47 ILE HG2 . 15257 1 846 . 3 2 47 47 ILE HG22 H 1 0.198 0.015 . 1 . . . . 47 ILE HG2 . 15257 1 847 . 3 2 47 47 ILE HG23 H 1 0.198 0.015 . 1 . . . . 47 ILE HG2 . 15257 1 848 . 3 2 47 47 ILE CA C 13 60.730 0.200 . 1 . . . . 47 ILE CA . 15257 1 849 . 3 2 47 47 ILE CB C 13 35.371 0.200 . 1 . . . . 47 ILE CB . 15257 1 850 . 3 2 47 47 ILE CD1 C 13 8.734 0.200 . 1 . . . . 47 ILE CD1 . 15257 1 851 . 3 2 47 47 ILE CG1 C 13 26.695 0.200 . 2 . . . . 47 ILE CG1 . 15257 1 852 . 3 2 47 47 ILE CG2 C 13 16.756 0.200 . 1 . . . . 47 ILE CG2 . 15257 1 853 . 3 2 47 47 ILE N N 15 122.415 0.100 . 1 . . . . 47 ILE N . 15257 1 854 . 3 2 48 48 TYR H H 1 8.037 0.015 . 1 . . . . 48 TYR H . 15257 1 855 . 3 2 48 48 TYR HA H 1 3.604 0.015 . 1 . . . . 48 TYR HA . 15257 1 856 . 3 2 48 48 TYR HB2 H 1 3.275 0.015 . 2 . . . . 48 TYR HB2 . 15257 1 857 . 3 2 48 48 TYR HB3 H 1 2.721 0.015 . 2 . . . . 48 TYR HB3 . 15257 1 858 . 3 2 48 48 TYR HD1 H 1 6.925 0.015 . 3 . . . . 48 TYR HD1 . 15257 1 859 . 3 2 48 48 TYR HD2 H 1 6.925 0.015 . 3 . . . . 48 TYR HD2 . 15257 1 860 . 3 2 48 48 TYR HE1 H 1 6.720 0.015 . 3 . . . . 48 TYR HE1 . 15257 1 861 . 3 2 48 48 TYR HE2 H 1 6.720 0.015 . 3 . . . . 48 TYR HE2 . 15257 1 862 . 3 2 48 48 TYR CA C 13 62.520 0.200 . 1 . . . . 48 TYR CA . 15257 1 863 . 3 2 48 48 TYR CB C 13 39.230 0.200 . 1 . . . . 48 TYR CB . 15257 1 864 . 3 2 48 48 TYR N N 15 121.978 0.100 . 1 . . . . 48 TYR N . 15257 1 865 . 3 2 49 49 GLN H H 1 8.570 0.015 . 1 . . . . 49 GLN H . 15257 1 866 . 3 2 49 49 GLN HA H 1 3.837 0.015 . 1 . . . . 49 GLN HA . 15257 1 867 . 3 2 49 49 GLN HB2 H 1 2.030 0.015 . 2 . . . . 49 GLN HB2 . 15257 1 868 . 3 2 49 49 GLN HE21 H 1 7.465 0.015 . 2 . . . . 49 GLN HE21 . 15257 1 869 . 3 2 49 49 GLN HE22 H 1 6.747 0.015 . 2 . . . . 49 GLN HE22 . 15257 1 870 . 3 2 49 49 GLN HG2 H 1 2.491 0.015 . 2 . . . . 49 GLN HG2 . 15257 1 871 . 3 2 49 49 GLN HG3 H 1 2.621 0.015 . 2 . . . . 49 GLN HG3 . 15257 1 872 . 3 2 49 49 GLN CA C 13 58.748 0.200 . 1 . . . . 49 GLN CA . 15257 1 873 . 3 2 49 49 GLN CB C 13 28.256 0.200 . 1 . . . . 49 GLN CB . 15257 1 874 . 3 2 49 49 GLN CG C 13 33.965 0.200 . 1 . . . . 49 GLN CG . 15257 1 875 . 3 2 49 49 GLN N N 15 114.761 0.100 . 1 . . . . 49 GLN N . 15257 1 876 . 3 2 49 49 GLN NE2 N 15 111.030 0.100 . 1 . . . . 49 GLN NE2 . 15257 1 877 . 3 2 50 50 ARG H H 1 7.201 0.015 . 1 . . . . 50 ARG H . 15257 1 878 . 3 2 50 50 ARG HA H 1 3.956 0.015 . 1 . . . . 50 ARG HA . 15257 1 879 . 3 2 50 50 ARG HB2 H 1 1.875 0.015 . 2 . . . . 50 ARG HB2 . 15257 1 880 . 3 2 50 50 ARG HB3 H 1 1.807 0.020 . 2 . . . . 50 ARG HB3 . 15257 1 881 . 3 2 50 50 ARG HD2 H 1 3.143 0.015 . 2 . . . . 50 ARG HD2 . 15257 1 882 . 3 2 50 50 ARG HD3 H 1 2.939 0.015 . 2 . . . . 50 ARG HD3 . 15257 1 883 . 3 2 50 50 ARG HG2 H 1 1.849 0.015 . 2 . . . . 50 ARG HG2 . 15257 1 884 . 3 2 50 50 ARG HG3 H 1 1.628 0.015 . 2 . . . . 50 ARG HG3 . 15257 1 885 . 3 2 50 50 ARG CA C 13 59.414 0.200 . 1 . . . . 50 ARG CA . 15257 1 886 . 3 2 50 50 ARG CB C 13 30.411 0.200 . 1 . . . . 50 ARG CB . 15257 1 887 . 3 2 50 50 ARG CD C 13 44.136 0.200 . 1 . . . . 50 ARG CD . 15257 1 888 . 3 2 50 50 ARG CG C 13 27.378 0.200 . 1 . . . . 50 ARG CG . 15257 1 889 . 3 2 50 50 ARG N N 15 120.460 0.100 . 1 . . . . 50 ARG N . 15257 1 890 . 3 2 51 51 ILE H H 1 8.014 0.015 . 1 . . . . 51 ILE H . 15257 1 891 . 3 2 51 51 ILE HA H 1 3.563 0.015 . 1 . . . . 51 ILE HA . 15257 1 892 . 3 2 51 51 ILE HB H 1 1.535 0.015 . 1 . . . . 51 ILE HB . 15257 1 893 . 3 2 51 51 ILE HD11 H 1 0.182 0.015 . 1 . . . . 51 ILE HD1 . 15257 1 894 . 3 2 51 51 ILE HD12 H 1 0.182 0.015 . 1 . . . . 51 ILE HD1 . 15257 1 895 . 3 2 51 51 ILE HD13 H 1 0.182 0.015 . 1 . . . . 51 ILE HD1 . 15257 1 896 . 3 2 51 51 ILE HG12 H 1 1.262 0.015 . 2 . . . . 51 ILE HG12 . 15257 1 897 . 3 2 51 51 ILE HG13 H 1 0.789 0.015 . 2 . . . . 51 ILE HG13 . 15257 1 898 . 3 2 51 51 ILE HG21 H 1 0.643 0.015 . 1 . . . . 51 ILE HG2 . 15257 1 899 . 3 2 51 51 ILE HG22 H 1 0.643 0.015 . 1 . . . . 51 ILE HG2 . 15257 1 900 . 3 2 51 51 ILE HG23 H 1 0.643 0.015 . 1 . . . . 51 ILE HG2 . 15257 1 901 . 3 2 51 51 ILE CA C 13 64.907 0.200 . 1 . . . . 51 ILE CA . 15257 1 902 . 3 2 51 51 ILE CB C 13 38.129 0.200 . 1 . . . . 51 ILE CB . 15257 1 903 . 3 2 51 51 ILE CD1 C 13 13.895 0.200 . 1 . . . . 51 ILE CD1 . 15257 1 904 . 3 2 51 51 ILE CG1 C 13 29.057 0.200 . 1 . . . . 51 ILE CG1 . 15257 1 905 . 3 2 51 51 ILE CG2 C 13 16.772 0.200 . 1 . . . . 51 ILE CG2 . 15257 1 906 . 3 2 51 51 ILE N N 15 120.735 0.100 . 1 . . . . 51 ILE N . 15257 1 907 . 3 2 52 52 GLN H H 1 7.851 0.015 . 1 . . . . 52 GLN H . 15257 1 908 . 3 2 52 52 GLN HA H 1 3.780 0.015 . 1 . . . . 52 GLN HA . 15257 1 909 . 3 2 52 52 GLN HB2 H 1 1.937 0.015 . 2 . . . . 52 GLN HB2 . 15257 1 910 . 3 2 52 52 GLN HB3 H 1 1.752 0.015 . 2 . . . . 52 GLN HB3 . 15257 1 911 . 3 2 52 52 GLN HE21 H 1 6.729 0.020 . 2 . . . . 52 GLN HE21 . 15257 1 912 . 3 2 52 52 GLN HE22 H 1 6.391 0.015 . 2 . . . . 52 GLN HE22 . 15257 1 913 . 3 2 52 52 GLN HG2 H 1 1.956 0.015 . 2 . . . . 52 GLN HG2 . 15257 1 914 . 3 2 52 52 GLN HG3 H 1 1.883 0.015 . 2 . . . . 52 GLN HG3 . 15257 1 915 . 3 2 52 52 GLN CA C 13 57.652 0.200 . 1 . . . . 52 GLN CA . 15257 1 916 . 3 2 52 52 GLN CB C 13 28.226 0.200 . 1 . . . . 52 GLN CB . 15257 1 917 . 3 2 52 52 GLN CG C 13 33.392 0.200 . 1 . . . . 52 GLN CG . 15257 1 918 . 3 2 52 52 GLN N N 15 118.476 0.100 . 1 . . . . 52 GLN N . 15257 1 919 . 3 2 52 52 GLN NE2 N 15 112.801 0.100 . 1 . . . . 52 GLN NE2 . 15257 1 920 . 3 2 53 53 ALA H H 1 7.587 0.015 . 1 . . . . 53 ALA H . 15257 1 921 . 3 2 53 53 ALA HA H 1 4.156 0.015 . 1 . . . . 53 ALA HA . 15257 1 922 . 3 2 53 53 ALA HB1 H 1 1.393 0.015 . 1 . . . . 53 ALA HB . 15257 1 923 . 3 2 53 53 ALA HB2 H 1 1.393 0.015 . 1 . . . . 53 ALA HB . 15257 1 924 . 3 2 53 53 ALA HB3 H 1 1.393 0.015 . 1 . . . . 53 ALA HB . 15257 1 925 . 3 2 53 53 ALA CA C 13 53.355 0.200 . 1 . . . . 53 ALA CA . 15257 1 926 . 3 2 53 53 ALA CB C 13 18.569 0.200 . 1 . . . . 53 ALA CB . 15257 1 927 . 3 2 53 53 ALA N N 15 120.265 0.100 . 1 . . . . 53 ALA N . 15257 1 928 . 3 2 54 54 GLY H H 1 7.656 0.015 . 1 . . . . 54 GLY H . 15257 1 929 . 3 2 54 54 GLY HA2 H 1 3.885 0.015 . 2 . . . . 54 GLY HA2 . 15257 1 930 . 3 2 54 54 GLY CA C 13 45.647 0.200 . 1 . . . . 54 GLY CA . 15257 1 931 . 3 2 54 54 GLY N N 15 105.409 0.100 . 1 . . . . 54 GLY N . 15257 1 932 . 3 2 55 55 LEU H H 1 7.628 0.015 . 1 . . . . 55 LEU H . 15257 1 933 . 3 2 55 55 LEU HA H 1 4.318 0.015 . 1 . . . . 55 LEU HA . 15257 1 934 . 3 2 55 55 LEU HB2 H 1 1.625 0.015 . 2 . . . . 55 LEU HB2 . 15257 1 935 . 3 2 55 55 LEU HB3 H 1 1.504 0.015 . 2 . . . . 55 LEU HB3 . 15257 1 936 . 3 2 55 55 LEU HD11 H 1 0.828 0.015 . 2 . . . . 55 LEU HD1 . 15257 1 937 . 3 2 55 55 LEU HD12 H 1 0.828 0.015 . 2 . . . . 55 LEU HD1 . 15257 1 938 . 3 2 55 55 LEU HD13 H 1 0.828 0.015 . 2 . . . . 55 LEU HD1 . 15257 1 939 . 3 2 55 55 LEU HD21 H 1 0.784 0.015 . 2 . . . . 55 LEU HD2 . 15257 1 940 . 3 2 55 55 LEU HD22 H 1 0.784 0.015 . 2 . . . . 55 LEU HD2 . 15257 1 941 . 3 2 55 55 LEU HD23 H 1 0.784 0.015 . 2 . . . . 55 LEU HD2 . 15257 1 942 . 3 2 55 55 LEU HG H 1 1.612 0.015 . 1 . . . . 55 LEU HG . 15257 1 943 . 3 2 55 55 LEU CA C 13 55.429 0.200 . 1 . . . . 55 LEU CA . 15257 1 944 . 3 2 55 55 LEU CB C 13 42.264 0.200 . 1 . . . . 55 LEU CB . 15257 1 945 . 3 2 55 55 LEU CD1 C 13 25.189 0.200 . 1 . . . . 55 LEU CD1 . 15257 1 946 . 3 2 55 55 LEU CD2 C 13 23.078 0.200 . 1 . . . . 55 LEU CD2 . 15257 1 947 . 3 2 55 55 LEU CG C 13 26.675 0.200 . 1 . . . . 55 LEU CG . 15257 1 948 . 3 2 55 55 LEU N N 15 120.742 0.100 . 1 . . . . 55 LEU N . 15257 1 949 . 3 2 56 56 THR H H 1 7.787 0.015 . 1 . . . . 56 THR H . 15257 1 950 . 3 2 56 56 THR HA H 1 4.276 0.015 . 1 . . . . 56 THR HA . 15257 1 951 . 3 2 56 56 THR HB H 1 4.138 0.015 . 1 . . . . 56 THR HB . 15257 1 952 . 3 2 56 56 THR HG21 H 1 1.143 0.015 . 1 . . . . 56 THR HG2 . 15257 1 953 . 3 2 56 56 THR HG22 H 1 1.143 0.015 . 1 . . . . 56 THR HG2 . 15257 1 954 . 3 2 56 56 THR HG23 H 1 1.143 0.015 . 1 . . . . 56 THR HG2 . 15257 1 955 . 3 2 56 56 THR CA C 13 61.460 0.200 . 1 . . . . 56 THR CA . 15257 1 956 . 3 2 56 56 THR CB C 13 69.975 0.200 . 1 . . . . 56 THR CB . 15257 1 957 . 3 2 56 56 THR CG2 C 13 21.486 0.200 . 1 . . . . 56 THR CG2 . 15257 1 958 . 3 2 56 56 THR N N 15 113.193 0.100 . 1 . . . . 56 THR N . 15257 1 959 . 3 2 57 57 ALA H H 1 8.063 0.015 . 1 . . . . 57 ALA H . 15257 1 960 . 3 2 57 57 ALA HA H 1 4.498 0.015 . 1 . . . . 57 ALA HA . 15257 1 961 . 3 2 57 57 ALA HB1 H 1 1.291 0.015 . 1 . . . . 57 ALA HB . 15257 1 962 . 3 2 57 57 ALA HB2 H 1 1.291 0.015 . 1 . . . . 57 ALA HB . 15257 1 963 . 3 2 57 57 ALA HB3 H 1 1.291 0.015 . 1 . . . . 57 ALA HB . 15257 1 964 . 3 2 57 57 ALA CA C 13 50.690 0.250 . 1 . . . . 57 ALA CA . 15257 1 965 . 3 2 57 57 ALA CB C 13 18.396 0.200 . 1 . . . . 57 ALA CB . 15257 1 966 . 3 2 57 57 ALA N N 15 127.249 0.100 . 1 . . . . 57 ALA N . 15257 1 967 . 3 2 58 58 PRO HA H 1 4.326 0.015 . 1 . . . . 58 PRO HA . 15257 1 968 . 3 2 58 58 PRO HB2 H 1 2.224 0.015 . 2 . . . . 58 PRO HB2 . 15257 1 969 . 3 2 58 58 PRO HB3 H 1 1.867 0.015 . 2 . . . . 58 PRO HB3 . 15257 1 970 . 3 2 58 58 PRO HD2 H 1 3.597 0.015 . 2 . . . . 58 PRO HD2 . 15257 1 971 . 3 2 58 58 PRO HD3 H 1 3.709 0.015 . 2 . . . . 58 PRO HD3 . 15257 1 972 . 3 2 58 58 PRO HG2 H 1 1.958 0.015 . 2 . . . . 58 PRO HG2 . 15257 1 973 . 3 2 58 58 PRO HG3 H 1 1.958 0.015 . 2 . . . . 58 PRO HG3 . 15257 1 974 . 3 2 58 58 PRO CA C 13 63.484 0.200 . 1 . . . . 58 PRO CA . 15257 1 975 . 3 2 58 58 PRO CB C 13 32.079 0.200 . 1 . . . . 58 PRO CB . 15257 1 976 . 3 2 58 58 PRO CD C 13 50.589 0.200 . 1 . . . . 58 PRO CD . 15257 1 977 . 3 2 58 58 PRO CG C 13 27.414 0.200 . 1 . . . . 58 PRO CG . 15257 1 978 . 3 2 59 59 ASP H H 1 8.241 0.015 . 1 . . . . 59 ASP H . 15257 1 979 . 3 2 59 59 ASP HA H 1 4.481 0.015 . 1 . . . . 59 ASP HA . 15257 1 980 . 3 2 59 59 ASP HB2 H 1 2.622 0.015 . 2 . . . . 59 ASP HB2 . 15257 1 981 . 3 2 59 59 ASP HB3 H 1 2.588 0.015 . 2 . . . . 59 ASP HB3 . 15257 1 982 . 3 2 59 59 ASP CA C 13 54.278 0.200 . 1 . . . . 59 ASP CA . 15257 1 983 . 3 2 59 59 ASP CB C 13 41.141 0.200 . 1 . . . . 59 ASP CB . 15257 1 984 . 3 2 59 59 ASP N N 15 119.116 0.100 . 1 . . . . 59 ASP N . 15257 1 985 . 3 2 60 60 LYS H H 1 8.048 0.015 . 1 . . . . 60 LYS H . 15257 1 986 . 3 2 60 60 LYS HA H 1 4.271 0.015 . 1 . . . . 60 LYS HA . 15257 1 987 . 3 2 60 60 LYS HB2 H 1 1.826 0.015 . 2 . . . . 60 LYS HB2 . 15257 1 988 . 3 2 60 60 LYS HB3 H 1 1.700 0.015 . 2 . . . . 60 LYS HB3 . 15257 1 989 . 3 2 60 60 LYS HD2 H 1 1.621 0.015 . 2 . . . . 60 LYS HD2 . 15257 1 990 . 3 2 60 60 LYS HD3 H 1 1.621 0.015 . 2 . . . . 60 LYS HD3 . 15257 1 991 . 3 2 60 60 LYS HG2 H 1 1.392 0.015 . 2 . . . . 60 LYS HG2 . 15257 1 992 . 3 2 60 60 LYS HG3 H 1 1.338 0.015 . 2 . . . . 60 LYS HG3 . 15257 1 993 . 3 2 60 60 LYS CA C 13 56.089 0.200 . 1 . . . . 60 LYS CA . 15257 1 994 . 3 2 60 60 LYS CB C 13 32.801 0.200 . 1 . . . . 60 LYS CB . 15257 1 995 . 3 2 60 60 LYS CD C 13 28.937 0.200 . 1 . . . . 60 LYS CD . 15257 1 996 . 3 2 60 60 LYS CG C 13 24.788 0.200 . 1 . . . . 60 LYS CG . 15257 1 997 . 3 2 60 60 LYS N N 15 121.540 0.100 . 1 . . . . 60 LYS N . 15257 1 998 . 3 2 61 61 ARG H H 1 8.153 0.015 . 1 . . . . 61 ARG H . 15257 1 999 . 3 2 61 61 ARG HA H 1 4.255 0.015 . 1 . . . . 61 ARG HA . 15257 1 1000 . 3 2 61 61 ARG HB2 H 1 1.798 0.015 . 2 . . . . 61 ARG HB2 . 15257 1 1001 . 3 2 61 61 ARG HB3 H 1 1.733 0.015 . 2 . . . . 61 ARG HB3 . 15257 1 1002 . 3 2 61 61 ARG HD2 H 1 3.137 0.015 . 2 . . . . 61 ARG HD2 . 15257 1 1003 . 3 2 61 61 ARG HD3 H 1 3.137 0.015 . 2 . . . . 61 ARG HD3 . 15257 1 1004 . 3 2 61 61 ARG HG2 H 1 1.577 0.015 . 2 . . . . 61 ARG HG2 . 15257 1 1005 . 3 2 61 61 ARG HG3 H 1 1.577 0.015 . 2 . . . . 61 ARG HG3 . 15257 1 1006 . 3 2 61 61 ARG CA C 13 56.217 0.200 . 1 . . . . 61 ARG CA . 15257 1 1007 . 3 2 61 61 ARG CB C 13 30.871 0.200 . 1 . . . . 61 ARG CB . 15257 1 1008 . 3 2 61 61 ARG CD C 13 43.378 0.200 . 1 . . . . 61 ARG CD . 15257 1 1009 . 3 2 61 61 ARG CG C 13 27.153 0.200 . 1 . . . . 61 ARG CG . 15257 1 1010 . 3 2 61 61 ARG N N 15 121.622 0.100 . 1 . . . . 61 ARG N . 15257 1 1011 . 3 2 62 62 GLU H H 1 8.312 0.015 . 1 . . . . 62 GLU H . 15257 1 1012 . 3 2 62 62 GLU HA H 1 4.299 0.015 . 1 . . . . 62 GLU HA . 15257 1 1013 . 3 2 62 62 GLU HB2 H 1 1.993 0.015 . 2 . . . . 62 GLU HB2 . 15257 1 1014 . 3 2 62 62 GLU HB3 H 1 1.878 0.015 . 2 . . . . 62 GLU HB3 . 15257 1 1015 . 3 2 62 62 GLU HG2 H 1 2.207 0.015 . 2 . . . . 62 GLU HG2 . 15257 1 1016 . 3 2 62 62 GLU HG3 H 1 2.160 0.015 . 2 . . . . 62 GLU HG3 . 15257 1 1017 . 3 2 62 62 GLU CA C 13 56.430 0.200 . 1 . . . . 62 GLU CA . 15257 1 1018 . 3 2 62 62 GLU CB C 13 30.551 0.200 . 1 . . . . 62 GLU CB . 15257 1 1019 . 3 2 62 62 GLU CG C 13 36.334 0.200 . 1 . . . . 62 GLU CG . 15257 1 1020 . 3 2 62 62 GLU N N 15 121.636 0.100 . 1 . . . . 62 GLU N . 15257 1 1021 . 3 2 63 63 THR H H 1 8.126 0.015 . 1 . . . . 63 THR H . 15257 1 1022 . 3 2 63 63 THR HA H 1 4.530 0.015 . 1 . . . . 63 THR HA . 15257 1 1023 . 3 2 63 63 THR HB H 1 4.072 0.015 . 1 . . . . 63 THR HB . 15257 1 1024 . 3 2 63 63 THR CA C 13 59.658 0.200 . 1 . . . . 63 THR CA . 15257 1 1025 . 3 2 63 63 THR CB C 13 69.744 0.200 . 1 . . . . 63 THR CB . 15257 1 1026 . 3 2 63 63 THR N N 15 117.505 0.100 . 1 . . . . 63 THR N . 15257 1 1027 . 3 2 64 64 PRO HA H 1 4.326 0.015 . 1 . . . . 64 PRO HA . 15257 1 1028 . 3 2 64 64 PRO HB2 H 1 2.162 0.015 . 2 . . . . 64 PRO HB2 . 15257 1 1029 . 3 2 64 64 PRO HB3 H 1 1.671 0.015 . 2 . . . . 64 PRO HB3 . 15257 1 1030 . 3 2 64 64 PRO HD2 H 1 3.600 0.015 . 2 . . . . 64 PRO HD2 . 15257 1 1031 . 3 2 64 64 PRO HD3 H 1 3.749 0.015 . 2 . . . . 64 PRO HD3 . 15257 1 1032 . 3 2 64 64 PRO HG2 H 1 1.904 0.015 . 2 . . . . 64 PRO HG2 . 15257 1 1033 . 3 2 64 64 PRO HG3 H 1 1.904 0.015 . 2 . . . . 64 PRO HG3 . 15257 1 1034 . 3 2 64 64 PRO CA C 13 63.484 0.200 . 1 . . . . 64 PRO CA . 15257 1 1035 . 3 2 64 64 PRO CB C 13 32.081 0.200 . 1 . . . . 64 PRO CB . 15257 1 1036 . 3 2 64 64 PRO CD C 13 51.137 0.200 . 1 . . . . 64 PRO CD . 15257 1 1037 . 3 2 64 64 PRO CG C 13 27.376 0.200 . 1 . . . . 64 PRO CG . 15257 1 1038 . 3 2 65 65 HIS HA H 1 4.356 0.015 . 1 . . . . 65 HIS HA . 15257 1 1039 . 3 2 65 65 HIS HB2 H 1 3.109 0.015 . 2 . . . . 65 HIS HB2 . 15257 1 1040 . 3 2 65 65 HIS HB3 H 1 2.967 0.015 . 2 . . . . 65 HIS HB3 . 15257 1 1041 . 3 2 65 65 HIS CA C 13 57.557 0.200 . 1 . . . . 65 HIS CA . 15257 1 1042 . 3 2 65 65 HIS CB C 13 30.989 0.200 . 1 . . . . 65 HIS CB . 15257 1 stop_ save_