data_25652 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25652 _Entry.Title ; Structure of PTB RRM1(41-163) bound to an RNA stemloop containing a structured loop derived from viral internal ribosomal entry site RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-08 _Entry.Accession_date 2015-06-08 _Entry.Last_release_date 2016-08-08 _Entry.Original_release_date 2016-08-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details 'PTB RRM1 forms an additional C-terminal helix upon binding to an RNA hairpin containing a pyrimidine-rich structured loop.' _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.ORCID _Entry_author.Entry_ID 1 Christophe Maris . . . . 25652 2 Sandrine Jayne . F . . 25652 3 Fred Damberger . F . . 25652 4 Sapna Ravindranathan . . . . 25652 5 Frederic Allain . H.T. . . 25652 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25652 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C-terminal helix formation' . 25652 'Encephalomyocarditis virus' . 25652 IRES . 25652 PTB . 25652 'Polypyirimine tract binding protein' . 25652 Protein/RNA . 25652 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 25652 assigned_chemical_shifts 2 25652 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 535 25652 '15N chemical shifts' 119 25652 '1H chemical shifts' 1013 25652 'residual dipolar couplings' 70 25652 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 1 . . 2016-08-08 . original BMRB . 25652 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1SJQ 'NMR structure of PTB RRM1 (54-147) in the free state.' 25652 PDB 2AD9 'NMR structure of PTB RRM1(49-146) bound to single-stranded CUCUCU RNA' 25652 PDB 2N3O 'BMRB Entry Tracking System' 25652 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25652 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; C-terminal helix folding upon pyrimidine-rich hairpin binding to PTB RRM1. Implications for PTB function in Encephalomyocarditis virus IRES activity. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christophe Maris . . . . 25652 1 2 Sandrine Jayne . F . . 25652 1 3 Fred Damberger . F . . 25652 1 4 Sapna Ravindranathan . . . . 25652 1 5 Frederic Allain . H.T. . . 25652 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25652 _Assembly.ID 1 _Assembly.Name 'PTBRRM1-SL23H complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'Complex of PTB RRM1 bound to stemloop RNA containing UCUUU loop sequence.' _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 PTBRRM1 1 $PTBRRM1 A . yes native no no . . . 25652 1 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" 2 $RNA B . yes native no no . . . 25652 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTBRRM1 _Entity.Sf_category entity _Entity.Sf_framecode PTBRRM1 _Entity.Entry_ID 25652 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PTBRRM1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GNDSKKFKGDSRSAGVPSRV IHIRKLPIDVTEGEVISLGL PFGKVTNLLMLKGKNQAFIE MNTEEAANTMVNYYTSVTPV LRGQPIYIQFSNHKELKTDS SPNQARAQAALQAVNSVQSG NLA ; _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 123 _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 13375.287 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP K7ES59 . PTBP1 . . . . . . . . . . . . . . 25652 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 41 GLY . 25652 1 2 42 ASN . 25652 1 3 43 ASP . 25652 1 4 44 SER . 25652 1 5 45 LYS . 25652 1 6 46 LYS . 25652 1 7 47 PHE . 25652 1 8 48 LYS . 25652 1 9 49 GLY . 25652 1 10 50 ASP . 25652 1 11 51 SER . 25652 1 12 52 ARG . 25652 1 13 53 SER . 25652 1 14 54 ALA . 25652 1 15 55 GLY . 25652 1 16 56 VAL . 25652 1 17 57 PRO . 25652 1 18 58 SER . 25652 1 19 59 ARG . 25652 1 20 60 VAL . 25652 1 21 61 ILE . 25652 1 22 62 HIS . 25652 1 23 63 ILE . 25652 1 24 64 ARG . 25652 1 25 65 LYS . 25652 1 26 66 LEU . 25652 1 27 67 PRO . 25652 1 28 68 ILE . 25652 1 29 69 ASP . 25652 1 30 70 VAL . 25652 1 31 71 THR . 25652 1 32 72 GLU . 25652 1 33 73 GLY . 25652 1 34 74 GLU . 25652 1 35 75 VAL . 25652 1 36 76 ILE . 25652 1 37 77 SER . 25652 1 38 78 LEU . 25652 1 39 79 GLY . 25652 1 40 80 LEU . 25652 1 41 81 PRO . 25652 1 42 82 PHE . 25652 1 43 83 GLY . 25652 1 44 84 LYS . 25652 1 45 85 VAL . 25652 1 46 86 THR . 25652 1 47 87 ASN . 25652 1 48 88 LEU . 25652 1 49 89 LEU . 25652 1 50 90 MET . 25652 1 51 91 LEU . 25652 1 52 92 LYS . 25652 1 53 93 GLY . 25652 1 54 94 LYS . 25652 1 55 95 ASN . 25652 1 56 96 GLN . 25652 1 57 97 ALA . 25652 1 58 98 PHE . 25652 1 59 99 ILE . 25652 1 60 100 GLU . 25652 1 61 101 MET . 25652 1 62 102 ASN . 25652 1 63 103 THR . 25652 1 64 104 GLU . 25652 1 65 105 GLU . 25652 1 66 106 ALA . 25652 1 67 107 ALA . 25652 1 68 108 ASN . 25652 1 69 109 THR . 25652 1 70 110 MET . 25652 1 71 111 VAL . 25652 1 72 112 ASN . 25652 1 73 113 TYR . 25652 1 74 114 TYR . 25652 1 75 115 THR . 25652 1 76 116 SER . 25652 1 77 117 VAL . 25652 1 78 118 THR . 25652 1 79 119 PRO . 25652 1 80 120 VAL . 25652 1 81 121 LEU . 25652 1 82 122 ARG . 25652 1 83 123 GLY . 25652 1 84 124 GLN . 25652 1 85 125 PRO . 25652 1 86 126 ILE . 25652 1 87 127 TYR . 25652 1 88 128 ILE . 25652 1 89 129 GLN . 25652 1 90 130 PHE . 25652 1 91 131 SER . 25652 1 92 132 ASN . 25652 1 93 133 HIS . 25652 1 94 134 LYS . 25652 1 95 135 GLU . 25652 1 96 136 LEU . 25652 1 97 137 LYS . 25652 1 98 138 THR . 25652 1 99 139 ASP . 25652 1 100 140 SER . 25652 1 101 141 SER . 25652 1 102 142 PRO . 25652 1 103 143 ASN . 25652 1 104 144 GLN . 25652 1 105 145 ALA . 25652 1 106 146 ARG . 25652 1 107 147 ALA . 25652 1 108 148 GLN . 25652 1 109 149 ALA . 25652 1 110 150 ALA . 25652 1 111 151 LEU . 25652 1 112 152 GLN . 25652 1 113 153 ALA . 25652 1 114 154 VAL . 25652 1 115 155 ASN . 25652 1 116 156 SER . 25652 1 117 157 VAL . 25652 1 118 158 GLN . 25652 1 119 159 SER . 25652 1 120 160 GLY . 25652 1 121 161 ASN . 25652 1 122 162 LEU . 25652 1 123 163 ALA . 25652 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 . GLY 1 1 25652 1 . ASN 2 2 25652 1 . ASP 3 3 25652 1 . SER 4 4 25652 1 . LYS 5 5 25652 1 . LYS 6 6 25652 1 . PHE 7 7 25652 1 . LYS 8 8 25652 1 . GLY 9 9 25652 1 . ASP 10 10 25652 1 . SER 11 11 25652 1 . ARG 12 12 25652 1 . SER 13 13 25652 1 . ALA 14 14 25652 1 . GLY 15 15 25652 1 . VAL 16 16 25652 1 . PRO 17 17 25652 1 . SER 18 18 25652 1 . ARG 19 19 25652 1 . VAL 20 20 25652 1 . ILE 21 21 25652 1 . HIS 22 22 25652 1 . ILE 23 23 25652 1 . ARG 24 24 25652 1 . LYS 25 25 25652 1 . LEU 26 26 25652 1 . PRO 27 27 25652 1 . ILE 28 28 25652 1 . ASP 29 29 25652 1 . VAL 30 30 25652 1 . THR 31 31 25652 1 . GLU 32 32 25652 1 . GLY 33 33 25652 1 . GLU 34 34 25652 1 . VAL 35 35 25652 1 . ILE 36 36 25652 1 . SER 37 37 25652 1 . LEU 38 38 25652 1 . GLY 39 39 25652 1 . LEU 40 40 25652 1 . PRO 41 41 25652 1 . PHE 42 42 25652 1 . GLY 43 43 25652 1 . LYS 44 44 25652 1 . VAL 45 45 25652 1 . THR 46 46 25652 1 . ASN 47 47 25652 1 . LEU 48 48 25652 1 . LEU 49 49 25652 1 . MET 50 50 25652 1 . LEU 51 51 25652 1 . LYS 52 52 25652 1 . GLY 53 53 25652 1 . LYS 54 54 25652 1 . ASN 55 55 25652 1 . GLN 56 56 25652 1 . ALA 57 57 25652 1 . PHE 58 58 25652 1 . ILE 59 59 25652 1 . GLU 60 60 25652 1 . MET 61 61 25652 1 . ASN 62 62 25652 1 . THR 63 63 25652 1 . GLU 64 64 25652 1 . GLU 65 65 25652 1 . ALA 66 66 25652 1 . ALA 67 67 25652 1 . ASN 68 68 25652 1 . THR 69 69 25652 1 . MET 70 70 25652 1 . VAL 71 71 25652 1 . ASN 72 72 25652 1 . TYR 73 73 25652 1 . TYR 74 74 25652 1 . THR 75 75 25652 1 . SER 76 76 25652 1 . VAL 77 77 25652 1 . THR 78 78 25652 1 . PRO 79 79 25652 1 . VAL 80 80 25652 1 . LEU 81 81 25652 1 . ARG 82 82 25652 1 . GLY 83 83 25652 1 . GLN 84 84 25652 1 . PRO 85 85 25652 1 . ILE 86 86 25652 1 . TYR 87 87 25652 1 . ILE 88 88 25652 1 . GLN 89 89 25652 1 . PHE 90 90 25652 1 . SER 91 91 25652 1 . ASN 92 92 25652 1 . HIS 93 93 25652 1 . LYS 94 94 25652 1 . GLU 95 95 25652 1 . LEU 96 96 25652 1 . LYS 97 97 25652 1 . THR 98 98 25652 1 . ASP 99 99 25652 1 . SER 100 100 25652 1 . SER 101 101 25652 1 . PRO 102 102 25652 1 . ASN 103 103 25652 1 . GLN 104 104 25652 1 . ALA 105 105 25652 1 . ARG 106 106 25652 1 . ALA 107 107 25652 1 . GLN 108 108 25652 1 . ALA 109 109 25652 1 . ALA 110 110 25652 1 . LEU 111 111 25652 1 . GLN 112 112 25652 1 . ALA 113 113 25652 1 . VAL 114 114 25652 1 . ASN 115 115 25652 1 . SER 116 116 25652 1 . VAL 117 117 25652 1 . GLN 118 118 25652 1 . SER 119 119 25652 1 . GLY 120 120 25652 1 . ASN 121 121 25652 1 . LEU 122 122 25652 1 . ALA 123 123 25652 1 stop_ save_ save_RNA _Entity.Sf_category entity _Entity.Sf_framecode RNA _Entity.Entry_ID 25652 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGACCUGGUCUUUCCAGGU CCC ; _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 23 _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 7308.393 _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 1 G . 25652 2 2 2 G . 25652 2 3 3 G . 25652 2 4 4 A . 25652 2 5 5 C . 25652 2 6 6 C . 25652 2 7 7 U . 25652 2 8 8 G . 25652 2 9 9 G . 25652 2 10 10 U . 25652 2 11 11 C . 25652 2 12 12 U . 25652 2 13 13 U . 25652 2 14 14 U . 25652 2 15 15 C . 25652 2 16 16 C . 25652 2 17 17 A . 25652 2 18 18 G . 25652 2 19 19 G . 25652 2 20 20 U . 25652 2 21 21 C . 25652 2 22 22 C . 25652 2 23 23 C . 25652 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . G 1 1 25652 2 . G 2 2 25652 2 . G 3 3 25652 2 . A 4 4 25652 2 . C 5 5 25652 2 . C 6 6 25652 2 . U 7 7 25652 2 . G 8 8 25652 2 . G 9 9 25652 2 . U 10 10 25652 2 . C 11 11 25652 2 . U 12 12 25652 2 . U 13 13 25652 2 . U 14 14 25652 2 . C 15 15 25652 2 . C 16 16 25652 2 . A 17 17 25652 2 . G 18 18 25652 2 . G 19 19 25652 2 . U 20 20 25652 2 . C 21 21 25652 2 . C 22 22 25652 2 . C 23 23 25652 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 25652 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PTBRRM1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . PTBP1 . 25652 1 2 2 $RNA . . virus . Encephalomyocarditis . . 00.052.0.04.001 . . . . . . . . . . . . . . . EMCV-R . 25652 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 25652 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PTBRRM1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pTYB11 . . ; PTB RRM1 corresponding to residues 41-163 was subcloned into pTYB11 which is part of the IMPACT-CN system. A C-terminal intein tag was included in the construct which self cleaves on a chitin column. E. coli strain BL21 (DE3) codonPlus-RIL was transformed and overexpression using M9 media containing 13C6-glucose and 15NH4Cl produced isotope-labeled protein. ; 25652 1 2 2 $RNA . 'chemical synthesis' . . . . . . . . . . . . 'synthetic oligonucleotide' . . ; in vitro transcription from chemically synthesized nucleotides with a Pro266Leu mutant version of RNA T7 polymerase. Both unlabeled and 13C,15N-labeled NTPs were produced in-house. RNA were purified by anionic exchange in denaturing conditions. ; 25652 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O _Sample.Entry_ID 25652 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 PTBRRM1 '[U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 1 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" 'natural abundance' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 1 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25652 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25652 1 stop_ save_ save_13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O _Sample.Entry_ID 25652 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 PTBRRM1 '[U-99% 13C; U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 2 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" 'natural abundance' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 2 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25652 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25652 2 stop_ save_ save_15N-PTBRRM1-13C-SL23H-RNA-in-D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-PTBRRM1-13C-SL23H-RNA-in-D2O _Sample.Entry_ID 25652 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTBRRM1 '[U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 3 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" '[U-99% 13C; U-99% 15N]' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 3 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 3 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25652 3 stop_ save_ save_15N-PTBRRM1-13C-ribose-labeled-U10U12U14-SL23H-RNA-in-D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-PTBRRM1-13C-ribose-labeled-U10U12U14-SL23H-RNA-in-D2O _Sample.Entry_ID 25652 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTBRRM1 '[U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 4 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" '[U-13C; U-15N]-ribose-Ura10,Ura12,Ura14' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 4 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 4 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 4 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25652 4 stop_ save_ save_15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O _Sample.Entry_ID 25652 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTBRRM1 '[U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 5 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" 'natural abundance' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 5 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 5 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 5 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25652 5 stop_ save_ save_13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O _Sample.Entry_ID 25652 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTBRRM1 '[U-99% 13C; U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 6 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" 'natural abundance' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 6 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 6 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 6 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25652 6 stop_ save_ save_15N-PTBRRM1-unlabeled-SL23H-RNA-Pf1-phage-in-H2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-PTBRRM1-unlabeled-SL23H-RNA-Pf1-phage-in-H2O _Sample.Entry_ID 25652 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Pf1 phage added for orienting macromolecules to obtain RCS. Compared to sample without Pf1 phage.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 PTBRRM1 '[U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 7 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" 'natural abundance' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 7 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 7 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 7 5 'Pf1 phage' 'natural abundance' . . . . . . 13 . . mg/mL . . . . 25652 7 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25652 7 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25652 7 stop_ save_ save_15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O _Sample.Entry_ID 25652 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Pf1 phage added for orienting macromolecules to obtain RCS. Compared to sample without Pf1 phage.' _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 PTBRRM1 '[U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 8 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" '[U-99% 13C; U-99% 15N]' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 8 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 8 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 8 5 'Pf1 phage' 'natural abundance' . . . . . . 13 . . mg/mL . . . . 25652 8 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25652 8 stop_ save_ save_15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-H2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-H2O _Sample.Entry_ID 25652 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Pf1 phage added for orienting macromolecules to obtain RCS. Compared to sample without Pf1 phage.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 PTBRRM1 '[U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 9 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" '[U-99% 13C; U-99% 15N]' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 9 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 9 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 9 5 'Pf1 phage' 'natural abundance' . . . . . . 13 . . mg/mL . . . . 25652 9 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25652 9 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25652 9 stop_ save_ save_15N-PTBRRM1-13C15N-SL23H-RNA-in-H2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-PTBRRM1-13C15N-SL23H-RNA-in-H2O _Sample.Entry_ID 25652 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 PTBRRM1 '[U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 10 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" '[U-99% 13C; U-99% 15N]' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 10 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 10 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 10 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25652 10 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25652 10 stop_ save_ save_15N-PTBRRM1-13C-ribose-labeled-G9U11U13C15-SL23H-RNA-in-D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-PTBRRM1-13C-ribose-labeled-G9U11U13C15-SL23H-RNA-in-D2O _Sample.Entry_ID 25652 _Sample.ID 11 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'ribose at positions 9,11,13 and 15 are 13C,15N-labeled.' _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 PTBRRM1 '[U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 11 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" '[U-13C; U-15N]-ribose-Cyt9,Ura11,Ura13,Gua15' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 11 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 11 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 11 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25652 11 stop_ save_ save_15N-PTBRRM1-13C-labeled-CU-SL23H-RNA-in-D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-PTBRRM1-13C-labeled-CU-SL23H-RNA-in-D2O _Sample.Entry_ID 25652 _Sample.ID 12 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Only cytosine and uracil nucleotides are uniformly 13C,15N-labeled.' _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 PTBRRM1 '[U-99% 15N]' . . 1 $PTBRRM1 . . 1 . . mM 0.2 . . . 25652 12 2 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" '[U-13C; U-15N]-Ura7,Ura10,Cyt11,Ura12,Ura13,Ura14,Cyt15,Cyt16,Ura20,Cyt21,Cyt22,Cyt23' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 12 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 12 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 12 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25652 12 stop_ save_ save_13C-SL23H-RNA-in-D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C-SL23H-RNA-in-D2O _Sample.Entry_ID 25652 _Sample.ID 13 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" '[U-99% 13C; U-99% 15N]' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 13 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 13 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 13 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25652 13 stop_ save_ save_unlabeled-SL23H-RNA-in-H2O _Sample.Sf_category sample _Sample.Sf_framecode unlabeled-SL23H-RNA-in-H2O _Sample.Entry_ID 25652 _Sample.ID 14 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 "RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')" 'natural abundance' . . 2 $RNA . . 1 . . mM 0.2 . . . 25652 14 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 25652 14 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 25652 14 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25652 14 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25652 14 stop_ save_ ####################### # Sample conditions # ####################### save_40C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 40C _Sample_condition_list.Entry_ID 25652 _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' 0.020 1 M 25652 1 pH 6.5 0.1 pH 25652 1 pressure 1 . atm 25652 1 temperature 313 1 K 25652 1 stop_ save_ save_25C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 25C _Sample_condition_list.Entry_ID 25652 _Sample_condition_list.ID 2 _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' 0.020 1 M 25652 2 pH 6.5 0.1 pH 25652 2 pressure 1 . atm 25652 2 temperature 298 1 K 25652 2 stop_ save_ save_5C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 5C _Sample_condition_list.Entry_ID 25652 _Sample_condition_list.ID 3 _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' 0.020 1 M 25652 3 pH 6.5 0.1 pH 25652 3 pressure 1 . atm 25652 3 temperature 278 1 K 25652 3 stop_ save_ save_30C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 30C _Sample_condition_list.Entry_ID 25652 _Sample_condition_list.ID 4 _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' 0.020 1 M 25652 4 pH 6.5 0.1 pH 25652 4 pressure 1 . atm 25652 4 temperature 303 1 K 25652 4 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25652 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25652 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25652 1 'peak picking' 25652 1 stop_ save_ save_UNIO-ATNOS-CANDID _Software.Sf_category software _Software.Sf_framecode UNIO-ATNOS-CANDID _Software.Entry_ID 25652 _Software.ID 2 _Software.Name UNIO/ATNOS-CANDID _Software.Version 10 _Software.Details ; UNIO is an all in one suite with utility programs for automated resonance assignment, peak-picking, NOE assignment, and constraint collection. It can be used together with structure calculation programs for completely automated structure determination from NMR spectra. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html 25652 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOE assignment' 25652 2 'peak picking' 25652 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25652 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . http://www.cyana.org/ 25652 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOE assignment' 25652 3 'chemical shift assignment' 25652 3 'structure calculation' 25652 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25652 _Software.ID 4 _Software.Name AMBER _Software.Version 12 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . http://ambermd.org/ 25652 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure refinement' 25652 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 25652 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . http://www.ebi.ac.uk/thornton-srv/software/PROCHECK/ 25652 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 25652 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 25652 _Software.ID 6 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . http://www.mol.biol.ethz.ch/groups/wuthrich_group/software 25652 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25652 6 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 25652 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe-equipped _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25652 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe-equipped _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25652 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details cryoprobe-equipped _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25652 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'RT probehead' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 25652 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details cryoprobe-equipped _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 25652 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 cryoprobe-equipped . . 25652 1 2 spectrometer_2 Bruker Avance . 600 cryoprobe-equipped . . 25652 1 3 spectrometer_3 Bruker Avance . 700 cryoprobe-equipped . . 25652 1 4 spectrometer_4 Bruker Avance . 750 'RT probehead' . . 25652 1 5 spectrometer_5 Bruker Avance . 900 cryoprobe-equipped . . 25652 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 25652 _Experiment_list.ID 1 _Experiment_list.Details ; Standard 3D NOESYs measured with 150 msec mixing time. 2D NOESY with 200 msec mixing time. NOESYs measured at 5C were obtained using 3919-watergate sequence before detection. RNA Constraints for all base-paired nucleotides except the closing G9-C15 basepair of the loop were derived from NOESY spectra obtained with free RNA - the NOE patterns were the same as for the RNA in the complex but signal to noise was better. 3D NOESYs of unlabeled RNA were measured with 200 msec mixing time, and 2D NOESY of unlabeled RNA was measured with 250 msec mixing time. ; 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 '3D HNCA' no . . . . . . . . . . 2 $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25652 1 2 '3D HN(CO)CA' no . . . . . . . . . . 2 $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25652 1 3 '3D HNCACB' no . . . . . . . . . . 2 $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25652 1 4 '3D HNCO' no . . . . . . . . . . 2 $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25652 1 5 '3D H(C)CH-TOCSY' no . . . . . . . . . . 2 $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25652 1 6 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25652 1 7 '3D 1H-15N NOESY-HSQC' no . . . . . . . . . . 1 $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25652 1 8 '3D 1H-13C NOESY aliphatic-HSQC' no . . . . . . . . . . 2 $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 9 '3D 1H-13C NOESY aromatic-HSQC' no . . . . . . . . . . 2 $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 5 $15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 5 $15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 12 '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' no . . . . . . . . . . 3 $15N-PTBRRM1-13C-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25652 1 13 '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' no . . . . . . . . . . 4 $15N-PTBRRM1-13C-ribose-labeled-U10U12U14-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25652 1 14 '2D f2-13C-filtered NOESY' no . . . . . . . . . . 3 $15N-PTBRRM1-13C-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25652 1 15 '3D aliphatic-HSQC-NOESY' no . . . . . . . . . . 2 $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 3 $5C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25652 1 16 '2D H2C2 TROSY' no . . . . . . . . . . 3 $15N-PTBRRM1-13C-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 17 '2D H6C6 TROSY' no . . . . . . . . . . 3 $15N-PTBRRM1-13C-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 18 '2D H8C8 TROSY' no . . . . . . . . . . 3 $15N-PTBRRM1-13C-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 19 '2D H2C2 TROSY' no . . . . . . . . . . 8 $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O anisotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 20 '2D H6C6 TROSY' no . . . . . . . . . . 8 $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O anisotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 21 '2D H8C8 TROSY' no . . . . . . . . . . 8 $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O anisotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 22 '2D H5C5 TROSY' no . . . . . . . . . . 3 $15N-PTBRRM1-13C-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 23 "2D H1'C1' TROSY" no . . . . . . . . . . 3 $15N-PTBRRM1-13C-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 24 '2D H5C5 TROSY' no . . . . . . . . . . 8 $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O anisotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 25 "2D H1'C1' TROSY" no . . . . . . . . . . 8 $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O anisotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 26 '2D HN TROSY' no . . . . . . . . . . 1 $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 27 '2D HN TROSY' no . . . . . . . . . . 7 $15N-PTBRRM1-unlabeled-SL23H-RNA-Pf1-phage-in-H2O anisotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 28 '2D HN TROSY' no . . . . . . . . . . 10 $15N-PTBRRM1-13C15N-SL23H-RNA-in-H2O isotropic . . 3 $5C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 29 '2D HN TROSY' no . . . . . . . . . . 9 $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-H2O anisotropic . . 3 $5C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 30 '2D {1H}15N-NOE HSQC' no . . . . . . . . . . 1 $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 31 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O isotropic . . 3 $5C . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25652 1 32 '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' no . . . . . . . . . . 12 $15N-PTBRRM1-13C-labeled-CU-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25652 1 33 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 12 $15N-PTBRRM1-13C-labeled-CU-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25652 1 34 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $15N-PTBRRM1-13C-ribose-labeled-U10U12U14-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25652 1 35 '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' no . . . . . . . . . . 11 $15N-PTBRRM1-13C-ribose-labeled-G9U11U13C15-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25652 1 36 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $15N-PTBRRM1-13C-ribose-labeled-U10U12U14-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25652 1 37 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $15N-PTBRRM1-13C-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25652 1 38 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $15N-PTBRRM1-13C-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 39 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 5 $15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 40 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 13 $13C-SL23H-RNA-in-D2O isotropic . . 4 $30C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 41 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 13 $13C-SL23H-RNA-in-D2O isotropic . . 4 $30C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 1 42 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 11 $15N-PTBRRM1-13C-ribose-labeled-G9U11U13C15-SL23H-RNA-in-D2O isotropic . . 1 $40C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25652 1 43 '2D 1H-1H NOESY' no . . . . . . . . . . 14 $unlabeled-SL23H-RNA-in-H2O isotropic . . 3 $5C . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25652 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 25652 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . 25652 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.00000000 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . 25652 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . 25652 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_protein-chemical-shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode protein-chemical-shifts _Assigned_chem_shift_list.Entry_ID 25652 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $40C _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'digital resolution' _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 7 '3D 1H-15N NOESY-HSQC' . . . 25652 1 8 '3D 1H-13C NOESY aliphatic-HSQC' . . . 25652 1 9 '3D 1H-13C NOESY aromatic-HSQC' . . . 25652 1 11 '2D 1H-1H NOESY' . . . 25652 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 25652 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 3 3 ASP H H 1 8.570 0.02 . 1 . . . A 43 ASP H . 25652 1 2 . 1 1 3 3 ASP HA H 1 4.685 0.02 . 1 . . . A 43 ASP HA . 25652 1 3 . 1 1 3 3 ASP HB2 H 1 2.726 0.02 . 2 . . . A 43 ASP HB2 . 25652 1 4 . 1 1 3 3 ASP HB3 H 1 2.726 0.02 . 2 . . . A 43 ASP HB3 . 25652 1 5 . 1 1 3 3 ASP CB C 13 41.399 0.40 . 1 . . . A 43 ASP CB . 25652 1 6 . 1 1 3 3 ASP N N 15 121.087 0.40 . 1 . . . A 43 ASP N . 25652 1 7 . 1 1 4 4 SER HA H 1 4.431 0.02 . 1 . . . A 44 SER HA . 25652 1 8 . 1 1 4 4 SER HB2 H 1 4.000 0.02 . 2 . . . A 44 SER HB2 . 25652 1 9 . 1 1 4 4 SER HB3 H 1 4.000 0.02 . 2 . . . A 44 SER HB3 . 25652 1 10 . 1 1 4 4 SER CA C 13 59.142 0.40 . 1 . . . A 44 SER CA . 25652 1 11 . 1 1 4 4 SER CB C 13 63.641 0.40 . 1 . . . A 44 SER CB . 25652 1 12 . 1 1 5 5 LYS H H 1 8.244 0.02 . 1 . . . A 45 LYS H . 25652 1 13 . 1 1 5 5 LYS HA H 1 4.300 0.02 . 1 . . . A 45 LYS HA . 25652 1 14 . 1 1 5 5 LYS HB2 H 1 1.783 0.02 . 2 . . . A 45 LYS HB2 . 25652 1 15 . 1 1 5 5 LYS HB3 H 1 1.783 0.02 . 2 . . . A 45 LYS HB3 . 25652 1 16 . 1 1 5 5 LYS HG2 H 1 1.421 0.02 . 2 . . . A 45 LYS HG2 . 25652 1 17 . 1 1 5 5 LYS HG3 H 1 1.498 0.02 . 2 . . . A 45 LYS HG3 . 25652 1 18 . 1 1 5 5 LYS HD2 H 1 1.657 0.02 . 2 . . . A 45 LYS HD2 . 25652 1 19 . 1 1 5 5 LYS HD3 H 1 1.721 0.02 . 2 . . . A 45 LYS HD3 . 25652 1 20 . 1 1 5 5 LYS HE2 H 1 3.008 0.02 . 2 . . . A 45 LYS HE2 . 25652 1 21 . 1 1 5 5 LYS HE3 H 1 3.008 0.02 . 2 . . . A 45 LYS HE3 . 25652 1 22 . 1 1 5 5 LYS CA C 13 56.486 0.40 . 1 . . . A 45 LYS CA . 25652 1 23 . 1 1 5 5 LYS CB C 13 33.111 0.40 . 1 . . . A 45 LYS CB . 25652 1 24 . 1 1 5 5 LYS CG C 13 24.875 0.40 . 1 . . . A 45 LYS CG . 25652 1 25 . 1 1 5 5 LYS CD C 13 29.251 0.40 . 1 . . . A 45 LYS CD . 25652 1 26 . 1 1 5 5 LYS CE C 13 42.189 0.40 . 1 . . . A 45 LYS CE . 25652 1 27 . 1 1 5 5 LYS N N 15 122.562 0.40 . 1 . . . A 45 LYS N . 25652 1 28 . 1 1 6 6 LYS H H 1 8.047 0.02 . 1 . . . A 46 LYS H . 25652 1 29 . 1 1 6 6 LYS HA H 1 4.306 0.02 . 1 . . . A 46 LYS HA . 25652 1 30 . 1 1 6 6 LYS HB2 H 1 1.712 0.02 . 2 . . . A 46 LYS HB2 . 25652 1 31 . 1 1 6 6 LYS HB3 H 1 1.712 0.02 . 2 . . . A 46 LYS HB3 . 25652 1 32 . 1 1 6 6 LYS HG2 H 1 1.341 0.02 . 2 . . . A 46 LYS HG2 . 25652 1 33 . 1 1 6 6 LYS HG3 H 1 1.498 0.02 . 2 . . . A 46 LYS HG3 . 25652 1 34 . 1 1 6 6 LYS HD2 H 1 1.846 0.02 . 2 . . . A 46 LYS HD2 . 25652 1 35 . 1 1 6 6 LYS HD3 H 1 1.737 0.02 . 2 . . . A 46 LYS HD3 . 25652 1 36 . 1 1 6 6 LYS HE2 H 1 3.052 0.02 . 2 . . . A 46 LYS HE2 . 25652 1 37 . 1 1 6 6 LYS HE3 H 1 3.052 0.02 . 2 . . . A 46 LYS HE3 . 25652 1 38 . 1 1 6 6 LYS CA C 13 56.900 0.40 . 1 . . . A 46 LYS CA . 25652 1 39 . 1 1 6 6 LYS CB C 13 33.124 0.40 . 1 . . . A 46 LYS CB . 25652 1 40 . 1 1 6 6 LYS CG C 13 24.934 0.40 . 1 . . . A 46 LYS CG . 25652 1 41 . 1 1 6 6 LYS CD C 13 27.628 0.40 . 1 . . . A 46 LYS CD . 25652 1 42 . 1 1 6 6 LYS CE C 13 41.769 0.40 . 1 . . . A 46 LYS CE . 25652 1 43 . 1 1 6 6 LYS N N 15 121.127 0.40 . 1 . . . A 46 LYS N . 25652 1 44 . 1 1 7 7 PHE H H 1 8.164 0.02 . 1 . . . A 47 PHE H . 25652 1 45 . 1 1 7 7 PHE HA H 1 4.654 0.02 . 1 . . . A 47 PHE HA . 25652 1 46 . 1 1 7 7 PHE HB2 H 1 3.063 0.02 . 2 . . . A 47 PHE HB2 . 25652 1 47 . 1 1 7 7 PHE HB3 H 1 3.148 0.02 . 2 . . . A 47 PHE HB3 . 25652 1 48 . 1 1 7 7 PHE HD1 H 1 7.268 0.02 . 1 . . . A 47 PHE HD1 . 25652 1 49 . 1 1 7 7 PHE HD2 H 1 7.268 0.02 . 1 . . . A 47 PHE HD2 . 25652 1 50 . 1 1 7 7 PHE HE1 H 1 7.332 0.02 . 1 . . . A 47 PHE HE1 . 25652 1 51 . 1 1 7 7 PHE HE2 H 1 7.332 0.02 . 1 . . . A 47 PHE HE2 . 25652 1 52 . 1 1 7 7 PHE HZ H 1 7.284 0.02 . 1 . . . A 47 PHE HZ . 25652 1 53 . 1 1 7 7 PHE CA C 13 57.787 0.40 . 1 . . . A 47 PHE CA . 25652 1 54 . 1 1 7 7 PHE CB C 13 39.565 0.40 . 1 . . . A 47 PHE CB . 25652 1 55 . 1 1 7 7 PHE CD1 C 13 132.027 0.40 . 1 . . . A 47 PHE CD1 . 25652 1 56 . 1 1 7 7 PHE CE1 C 13 131.700 0.40 . 1 . . . A 47 PHE CE1 . 25652 1 57 . 1 1 7 7 PHE CZ C 13 129.874 0.40 . 1 . . . A 47 PHE CZ . 25652 1 58 . 1 1 7 7 PHE N N 15 120.886 0.40 . 1 . . . A 47 PHE N . 25652 1 59 . 1 1 8 8 LYS H H 1 8.210 0.02 . 1 . . . A 48 LYS H . 25652 1 60 . 1 1 8 8 LYS HA H 1 4.342 0.02 . 1 . . . A 48 LYS HA . 25652 1 61 . 1 1 8 8 LYS HB2 H 1 1.920 0.02 . 2 . . . A 48 LYS HB2 . 25652 1 62 . 1 1 8 8 LYS HB3 H 1 1.920 0.02 . 2 . . . A 48 LYS HB3 . 25652 1 63 . 1 1 8 8 LYS HG2 H 1 1.444 0.02 . 2 . . . A 48 LYS HG2 . 25652 1 64 . 1 1 8 8 LYS HG3 H 1 1.444 0.02 . 2 . . . A 48 LYS HG3 . 25652 1 65 . 1 1 8 8 LYS HD2 H 1 1.736 0.02 . 2 . . . A 48 LYS HD2 . 25652 1 66 . 1 1 8 8 LYS HD3 H 1 1.736 0.02 . 2 . . . A 48 LYS HD3 . 25652 1 67 . 1 1 8 8 LYS HE2 H 1 2.974 0.02 . 2 . . . A 48 LYS HE2 . 25652 1 68 . 1 1 8 8 LYS HE3 H 1 3.058 0.02 . 2 . . . A 48 LYS HE3 . 25652 1 69 . 1 1 8 8 LYS CA C 13 56.796 0.40 . 1 . . . A 48 LYS CA . 25652 1 70 . 1 1 8 8 LYS CB C 13 32.662 0.40 . 1 . . . A 48 LYS CB . 25652 1 71 . 1 1 8 8 LYS CG C 13 24.770 0.40 . 1 . . . A 48 LYS CG . 25652 1 72 . 1 1 8 8 LYS CD C 13 29.063 0.40 . 1 . . . A 48 LYS CD . 25652 1 73 . 1 1 8 8 LYS CE C 13 42.311 0.40 . 1 . . . A 48 LYS CE . 25652 1 74 . 1 1 8 8 LYS N N 15 123.526 0.40 . 1 . . . A 48 LYS N . 25652 1 75 . 1 1 9 9 GLY H H 1 7.874 0.02 . 1 . . . A 49 GLY H . 25652 1 76 . 1 1 9 9 GLY HA2 H 1 3.926 0.02 . 2 . . . A 49 GLY HA2 . 25652 1 77 . 1 1 9 9 GLY HA3 H 1 3.926 0.02 . 2 . . . A 49 GLY HA3 . 25652 1 78 . 1 1 9 9 GLY CA C 13 45.490 0.40 . 1 . . . A 49 GLY CA . 25652 1 79 . 1 1 9 9 GLY N N 15 109.273 0.40 . 1 . . . A 49 GLY N . 25652 1 80 . 1 1 10 10 ASP H H 1 8.232 0.02 . 1 . . . A 50 ASP H . 25652 1 81 . 1 1 10 10 ASP HA H 1 4.692 0.02 . 1 . . . A 50 ASP HA . 25652 1 82 . 1 1 10 10 ASP HB2 H 1 2.732 0.02 . 2 . . . A 50 ASP HB2 . 25652 1 83 . 1 1 10 10 ASP HB3 H 1 2.753 0.02 . 2 . . . A 50 ASP HB3 . 25652 1 84 . 1 1 10 10 ASP CA C 13 54.661 0.40 . 1 . . . A 50 ASP CA . 25652 1 85 . 1 1 10 10 ASP CB C 13 41.523 0.40 . 1 . . . A 50 ASP CB . 25652 1 86 . 1 1 10 10 ASP N N 15 120.470 0.40 . 1 . . . A 50 ASP N . 25652 1 87 . 1 1 11 11 SER H H 1 8.352 0.02 . 1 . . . A 51 SER H . 25652 1 88 . 1 1 11 11 SER HA H 1 4.469 0.02 . 1 . . . A 51 SER HA . 25652 1 89 . 1 1 11 11 SER HB2 H 1 3.931 0.02 . 2 . . . A 51 SER HB2 . 25652 1 90 . 1 1 11 11 SER HB3 H 1 3.931 0.02 . 2 . . . A 51 SER HB3 . 25652 1 91 . 1 1 11 11 SER CA C 13 58.951 0.40 . 1 . . . A 51 SER CA . 25652 1 92 . 1 1 11 11 SER CB C 13 63.803 0.40 . 1 . . . A 51 SER CB . 25652 1 93 . 1 1 11 11 SER N N 15 116.640 0.40 . 1 . . . A 51 SER N . 25652 1 94 . 1 1 12 12 ARG H H 1 8.365 0.02 . 1 . . . A 52 ARG H . 25652 1 95 . 1 1 12 12 ARG HA H 1 4.484 0.02 . 1 . . . A 52 ARG HA . 25652 1 96 . 1 1 12 12 ARG HB2 H 1 1.899 0.02 . 2 . . . A 52 ARG HB2 . 25652 1 97 . 1 1 12 12 ARG HB3 H 1 1.899 0.02 . 2 . . . A 52 ARG HB3 . 25652 1 98 . 1 1 12 12 ARG HG2 H 1 1.674 0.02 . 2 . . . A 52 ARG HG2 . 25652 1 99 . 1 1 12 12 ARG HG3 H 1 1.674 0.02 . 2 . . . A 52 ARG HG3 . 25652 1 100 . 1 1 12 12 ARG HD2 H 1 3.226 0.02 . 2 . . . A 52 ARG HD2 . 25652 1 101 . 1 1 12 12 ARG HD3 H 1 3.226 0.02 . 2 . . . A 52 ARG HD3 . 25652 1 102 . 1 1 12 12 ARG CB C 13 30.781 0.40 . 1 . . . A 52 ARG CB . 25652 1 103 . 1 1 12 12 ARG CG C 13 27.233 0.40 . 1 . . . A 52 ARG CG . 25652 1 104 . 1 1 12 12 ARG CD C 13 43.771 0.40 . 1 . . . A 52 ARG CD . 25652 1 105 . 1 1 12 12 ARG N N 15 122.697 0.40 . 1 . . . A 52 ARG N . 25652 1 106 . 1 1 13 13 SER H H 1 8.223 0.02 . 1 . . . A 53 SER H . 25652 1 107 . 1 1 13 13 SER HA H 1 4.514 0.02 . 1 . . . A 53 SER HA . 25652 1 108 . 1 1 13 13 SER HB2 H 1 3.931 0.02 . 2 . . . A 53 SER HB2 . 25652 1 109 . 1 1 13 13 SER HB3 H 1 3.931 0.02 . 2 . . . A 53 SER HB3 . 25652 1 110 . 1 1 13 13 SER CA C 13 58.530 0.40 . 1 . . . A 53 SER CA . 25652 1 111 . 1 1 13 13 SER CB C 13 63.965 0.40 . 1 . . . A 53 SER CB . 25652 1 112 . 1 1 13 13 SER N N 15 116.356 0.40 . 1 . . . A 53 SER N . 25652 1 113 . 1 1 14 14 ALA H H 1 8.299 0.02 . 1 . . . A 54 ALA H . 25652 1 114 . 1 1 14 14 ALA HA H 1 4.446 0.02 . 1 . . . A 54 ALA HA . 25652 1 115 . 1 1 14 14 ALA HB1 H 1 1.486 0.02 . 1 . . . A 54 ALA HB1 . 25652 1 116 . 1 1 14 14 ALA HB2 H 1 1.486 0.02 . 1 . . . A 54 ALA HB2 . 25652 1 117 . 1 1 14 14 ALA HB3 H 1 1.486 0.02 . 1 . . . A 54 ALA HB3 . 25652 1 118 . 1 1 14 14 ALA CA C 13 52.866 0.40 . 1 . . . A 54 ALA CA . 25652 1 119 . 1 1 14 14 ALA CB C 13 19.507 0.40 . 1 . . . A 54 ALA CB . 25652 1 120 . 1 1 14 14 ALA N N 15 125.938 0.40 . 1 . . . A 54 ALA N . 25652 1 121 . 1 1 15 15 GLY H H 1 8.288 0.02 . 1 . . . A 55 GLY H . 25652 1 122 . 1 1 15 15 GLY HA2 H 1 4.039 0.02 . 2 . . . A 55 GLY HA2 . 25652 1 123 . 1 1 15 15 GLY HA3 H 1 4.039 0.02 . 2 . . . A 55 GLY HA3 . 25652 1 124 . 1 1 15 15 GLY CA C 13 45.222 0.40 . 1 . . . A 55 GLY CA . 25652 1 125 . 1 1 15 15 GLY N N 15 107.428 0.40 . 1 . . . A 55 GLY N . 25652 1 126 . 1 1 16 16 VAL H H 1 7.907 0.02 . 1 . . . A 56 VAL H . 25652 1 127 . 1 1 16 16 VAL HA H 1 4.325 0.02 . 1 . . . A 56 VAL HA . 25652 1 128 . 1 1 16 16 VAL HB H 1 1.945 0.02 . 1 . . . A 56 VAL HB . 25652 1 129 . 1 1 16 16 VAL HG11 H 1 0.933 0.02 . 2 . . . A 56 VAL HG11 . 25652 1 130 . 1 1 16 16 VAL HG12 H 1 0.933 0.02 . 2 . . . A 56 VAL HG12 . 25652 1 131 . 1 1 16 16 VAL HG13 H 1 0.933 0.02 . 2 . . . A 56 VAL HG13 . 25652 1 132 . 1 1 16 16 VAL HG21 H 1 0.921 0.02 . 2 . . . A 56 VAL HG21 . 25652 1 133 . 1 1 16 16 VAL HG22 H 1 0.921 0.02 . 2 . . . A 56 VAL HG22 . 25652 1 134 . 1 1 16 16 VAL HG23 H 1 0.921 0.02 . 2 . . . A 56 VAL HG23 . 25652 1 135 . 1 1 16 16 VAL CA C 13 59.819 0.40 . 1 . . . A 56 VAL CA . 25652 1 136 . 1 1 16 16 VAL CB C 13 32.706 0.40 . 1 . . . A 56 VAL CB . 25652 1 137 . 1 1 16 16 VAL CG1 C 13 21.082 0.40 . 1 . . . A 56 VAL CG1 . 25652 1 138 . 1 1 16 16 VAL CG2 C 13 20.678 0.40 . 1 . . . A 56 VAL CG2 . 25652 1 139 . 1 1 16 16 VAL N N 15 120.989 0.40 . 1 . . . A 56 VAL N . 25652 1 140 . 1 1 17 17 PRO HA H 1 4.532 0.02 . 1 . . . A 57 PRO HA . 25652 1 141 . 1 1 17 17 PRO HB2 H 1 1.562 0.02 . 2 . . . A 57 PRO HB2 . 25652 1 142 . 1 1 17 17 PRO HB3 H 1 1.759 0.02 . 2 . . . A 57 PRO HB3 . 25652 1 143 . 1 1 17 17 PRO HG2 H 1 1.699 0.02 . 2 . . . A 57 PRO HG2 . 25652 1 144 . 1 1 17 17 PRO HG3 H 1 1.876 0.02 . 2 . . . A 57 PRO HG3 . 25652 1 145 . 1 1 17 17 PRO HD2 H 1 3.371 0.02 . 2 . . . A 57 PRO HD2 . 25652 1 146 . 1 1 17 17 PRO HD3 H 1 3.788 0.02 . 2 . . . A 57 PRO HD3 . 25652 1 147 . 1 1 17 17 PRO CA C 13 64.641 0.40 . 1 . . . A 57 PRO CA . 25652 1 148 . 1 1 17 17 PRO CB C 13 32.303 0.40 . 1 . . . A 57 PRO CB . 25652 1 149 . 1 1 17 17 PRO CG C 13 27.502 0.40 . 1 . . . A 57 PRO CG . 25652 1 150 . 1 1 17 17 PRO CD C 13 50.861 0.40 . 1 . . . A 57 PRO CD . 25652 1 151 . 1 1 18 18 SER H H 1 6.755 0.02 . 1 . . . A 58 SER H . 25652 1 152 . 1 1 18 18 SER HA H 1 4.627 0.02 . 1 . . . A 58 SER HA . 25652 1 153 . 1 1 18 18 SER HB2 H 1 3.974 0.02 . 2 . . . A 58 SER HB2 . 25652 1 154 . 1 1 18 18 SER HB3 H 1 4.108 0.02 . 2 . . . A 58 SER HB3 . 25652 1 155 . 1 1 18 18 SER CA C 13 55.867 0.40 . 1 . . . A 58 SER CA . 25652 1 156 . 1 1 18 18 SER CB C 13 65.207 0.40 . 1 . . . A 58 SER CB . 25652 1 157 . 1 1 18 18 SER N N 15 114.115 0.40 . 1 . . . A 58 SER N . 25652 1 158 . 1 1 19 19 ARG H H 1 8.697 0.02 . 1 . . . A 59 ARG H . 25652 1 159 . 1 1 19 19 ARG HA H 1 4.302 0.02 . 1 . . . A 59 ARG HA . 25652 1 160 . 1 1 19 19 ARG HB2 H 1 1.874 0.02 . 2 . . . A 59 ARG HB2 . 25652 1 161 . 1 1 19 19 ARG HB3 H 1 2.147 0.02 . 2 . . . A 59 ARG HB3 . 25652 1 162 . 1 1 19 19 ARG HG2 H 1 1.776 0.02 . 2 . . . A 59 ARG HG2 . 25652 1 163 . 1 1 19 19 ARG HG3 H 1 1.776 0.02 . 2 . . . A 59 ARG HG3 . 25652 1 164 . 1 1 19 19 ARG HD2 H 1 3.284 0.02 . 2 . . . A 59 ARG HD2 . 25652 1 165 . 1 1 19 19 ARG HD3 H 1 3.284 0.02 . 2 . . . A 59 ARG HD3 . 25652 1 166 . 1 1 19 19 ARG HE H 1 7.304 0.02 . 1 . . . A 59 ARG HE . 25652 1 167 . 1 1 19 19 ARG CA C 13 57.805 0.40 . 1 . . . A 59 ARG CA . 25652 1 168 . 1 1 19 19 ARG CB C 13 31.074 0.40 . 1 . . . A 59 ARG CB . 25652 1 169 . 1 1 19 19 ARG CG C 13 28.028 0.40 . 1 . . . A 59 ARG CG . 25652 1 170 . 1 1 19 19 ARG CD C 13 44.005 0.40 . 1 . . . A 59 ARG CD . 25652 1 171 . 1 1 19 19 ARG N N 15 119.824 0.40 . 1 . . . A 59 ARG N . 25652 1 172 . 1 1 19 19 ARG NE N 15 84.404 0.40 . 1 . . . A 59 ARG NE . 25652 1 173 . 1 1 20 20 VAL H H 1 8.803 0.02 . 1 . . . A 60 VAL H . 25652 1 174 . 1 1 20 20 VAL HA H 1 4.869 0.02 . 1 . . . A 60 VAL HA . 25652 1 175 . 1 1 20 20 VAL HB H 1 2.330 0.02 . 1 . . . A 60 VAL HB . 25652 1 176 . 1 1 20 20 VAL HG11 H 1 0.666 0.02 . 2 . . . A 60 VAL HG11 . 25652 1 177 . 1 1 20 20 VAL HG12 H 1 0.666 0.02 . 2 . . . A 60 VAL HG12 . 25652 1 178 . 1 1 20 20 VAL HG13 H 1 0.666 0.02 . 2 . . . A 60 VAL HG13 . 25652 1 179 . 1 1 20 20 VAL HG21 H 1 0.974 0.02 . 2 . . . A 60 VAL HG21 . 25652 1 180 . 1 1 20 20 VAL HG22 H 1 0.974 0.02 . 2 . . . A 60 VAL HG22 . 25652 1 181 . 1 1 20 20 VAL HG23 H 1 0.974 0.02 . 2 . . . A 60 VAL HG23 . 25652 1 182 . 1 1 20 20 VAL CA C 13 61.650 0.40 . 1 . . . A 60 VAL CA . 25652 1 183 . 1 1 20 20 VAL CB C 13 32.124 0.40 . 1 . . . A 60 VAL CB . 25652 1 184 . 1 1 20 20 VAL CG1 C 13 22.261 0.40 . 1 . . . A 60 VAL CG1 . 25652 1 185 . 1 1 20 20 VAL CG2 C 13 23.007 0.40 . 1 . . . A 60 VAL CG2 . 25652 1 186 . 1 1 20 20 VAL N N 15 119.347 0.40 . 1 . . . A 60 VAL N . 25652 1 187 . 1 1 21 21 ILE H H 1 9.495 0.02 . 1 . . . A 61 ILE H . 25652 1 188 . 1 1 21 21 ILE HA H 1 4.588 0.02 . 1 . . . A 61 ILE HA . 25652 1 189 . 1 1 21 21 ILE HB H 1 1.925 0.02 . 1 . . . A 61 ILE HB . 25652 1 190 . 1 1 21 21 ILE HG12 H 1 1.267 0.02 . 2 . . . A 61 ILE HG12 . 25652 1 191 . 1 1 21 21 ILE HG13 H 1 1.576 0.02 . 2 . . . A 61 ILE HG13 . 25652 1 192 . 1 1 21 21 ILE HG21 H 1 0.796 0.02 . 1 . . . A 61 ILE HG21 . 25652 1 193 . 1 1 21 21 ILE HG22 H 1 0.796 0.02 . 1 . . . A 61 ILE HG22 . 25652 1 194 . 1 1 21 21 ILE HG23 H 1 0.796 0.02 . 1 . . . A 61 ILE HG23 . 25652 1 195 . 1 1 21 21 ILE HD11 H 1 0.844 0.02 . 1 . . . A 61 ILE HD11 . 25652 1 196 . 1 1 21 21 ILE HD12 H 1 0.844 0.02 . 1 . . . A 61 ILE HD12 . 25652 1 197 . 1 1 21 21 ILE HD13 H 1 0.844 0.02 . 1 . . . A 61 ILE HD13 . 25652 1 198 . 1 1 21 21 ILE CA C 13 59.142 0.40 . 1 . . . A 61 ILE CA . 25652 1 199 . 1 1 21 21 ILE CB C 13 40.346 0.40 . 1 . . . A 61 ILE CB . 25652 1 200 . 1 1 21 21 ILE CG1 C 13 27.920 0.40 . 1 . . . A 61 ILE CG1 . 25652 1 201 . 1 1 21 21 ILE CG2 C 13 19.045 0.40 . 1 . . . A 61 ILE CG2 . 25652 1 202 . 1 1 21 21 ILE CD1 C 13 14.031 0.40 . 1 . . . A 61 ILE CD1 . 25652 1 203 . 1 1 21 21 ILE N N 15 129.046 0.40 . 1 . . . A 61 ILE N . 25652 1 204 . 1 1 22 22 HIS H H 1 9.304 0.02 . 1 . . . A 62 HIS H . 25652 1 205 . 1 1 22 22 HIS HA H 1 5.024 0.02 . 1 . . . A 62 HIS HA . 25652 1 206 . 1 1 22 22 HIS HB2 H 1 2.848 0.02 . 2 . . . A 62 HIS HB2 . 25652 1 207 . 1 1 22 22 HIS HB3 H 1 2.848 0.02 . 2 . . . A 62 HIS HB3 . 25652 1 208 . 1 1 22 22 HIS HD2 H 1 5.961 0.02 . 1 . . . A 62 HIS HD2 . 25652 1 209 . 1 1 22 22 HIS CB C 13 34.318 0.40 . 1 . . . A 62 HIS CB . 25652 1 210 . 1 1 22 22 HIS CD2 C 13 116.538 0.40 . 1 . . . A 62 HIS CD2 . 25652 1 211 . 1 1 22 22 HIS N N 15 128.103 0.40 . 1 . . . A 62 HIS N . 25652 1 212 . 1 1 23 23 ILE H H 1 8.587 0.02 . 1 . . . A 63 ILE H . 25652 1 213 . 1 1 23 23 ILE HA H 1 4.783 0.02 . 1 . . . A 63 ILE HA . 25652 1 214 . 1 1 23 23 ILE HB H 1 1.365 0.02 . 1 . . . A 63 ILE HB . 25652 1 215 . 1 1 23 23 ILE HG12 H 1 1.254 0.02 . 2 . . . A 63 ILE HG12 . 25652 1 216 . 1 1 23 23 ILE HG13 H 1 1.397 0.02 . 2 . . . A 63 ILE HG13 . 25652 1 217 . 1 1 23 23 ILE HG21 H 1 0.692 0.02 . 1 . . . A 63 ILE HG21 . 25652 1 218 . 1 1 23 23 ILE HG22 H 1 0.692 0.02 . 1 . . . A 63 ILE HG22 . 25652 1 219 . 1 1 23 23 ILE HG23 H 1 0.692 0.02 . 1 . . . A 63 ILE HG23 . 25652 1 220 . 1 1 23 23 ILE HD11 H 1 0.601 0.02 . 1 . . . A 63 ILE HD11 . 25652 1 221 . 1 1 23 23 ILE HD12 H 1 0.601 0.02 . 1 . . . A 63 ILE HD12 . 25652 1 222 . 1 1 23 23 ILE HD13 H 1 0.601 0.02 . 1 . . . A 63 ILE HD13 . 25652 1 223 . 1 1 23 23 ILE CA C 13 59.605 0.40 . 1 . . . A 63 ILE CA . 25652 1 224 . 1 1 23 23 ILE CB C 13 40.247 0.40 . 1 . . . A 63 ILE CB . 25652 1 225 . 1 1 23 23 ILE CG1 C 13 27.572 0.40 . 1 . . . A 63 ILE CG1 . 25652 1 226 . 1 1 23 23 ILE CG2 C 13 19.264 0.40 . 1 . . . A 63 ILE CG2 . 25652 1 227 . 1 1 23 23 ILE CD1 C 13 14.557 0.40 . 1 . . . A 63 ILE CD1 . 25652 1 228 . 1 1 23 23 ILE N N 15 127.360 0.40 . 1 . . . A 63 ILE N . 25652 1 229 . 1 1 24 24 ARG H H 1 8.607 0.02 . 1 . . . A 64 ARG H . 25652 1 230 . 1 1 24 24 ARG HA H 1 4.866 0.02 . 1 . . . A 64 ARG HA . 25652 1 231 . 1 1 24 24 ARG HB2 H 1 1.508 0.02 . 2 . . . A 64 ARG HB2 . 25652 1 232 . 1 1 24 24 ARG HB3 H 1 1.714 0.02 . 2 . . . A 64 ARG HB3 . 25652 1 233 . 1 1 24 24 ARG HG2 H 1 1.118 0.02 . 2 . . . A 64 ARG HG2 . 25652 1 234 . 1 1 24 24 ARG HG3 H 1 1.118 0.02 . 2 . . . A 64 ARG HG3 . 25652 1 235 . 1 1 24 24 ARG HD2 H 1 2.844 0.02 . 2 . . . A 64 ARG HD2 . 25652 1 236 . 1 1 24 24 ARG HD3 H 1 2.960 0.02 . 2 . . . A 64 ARG HD3 . 25652 1 237 . 1 1 24 24 ARG CA C 13 53.976 0.40 . 1 . . . A 64 ARG CA . 25652 1 238 . 1 1 24 24 ARG CB C 13 34.097 0.40 . 1 . . . A 64 ARG CB . 25652 1 239 . 1 1 24 24 ARG CG C 13 27.934 0.40 . 1 . . . A 64 ARG CG . 25652 1 240 . 1 1 24 24 ARG CD C 13 43.468 0.40 . 1 . . . A 64 ARG CD . 25652 1 241 . 1 1 24 24 ARG N N 15 122.183 0.40 . 1 . . . A 64 ARG N . 25652 1 242 . 1 1 25 25 LYS H H 1 8.468 0.02 . 1 . . . A 65 LYS H . 25652 1 243 . 1 1 25 25 LYS HA H 1 3.837 0.02 . 1 . . . A 65 LYS HA . 25652 1 244 . 1 1 25 25 LYS HB2 H 1 2.229 0.02 . 2 . . . A 65 LYS HB2 . 25652 1 245 . 1 1 25 25 LYS HB3 H 1 2.229 0.02 . 2 . . . A 65 LYS HB3 . 25652 1 246 . 1 1 25 25 LYS HG2 H 1 1.425 0.02 . 2 . . . A 65 LYS HG2 . 25652 1 247 . 1 1 25 25 LYS HG3 H 1 1.425 0.02 . 2 . . . A 65 LYS HG3 . 25652 1 248 . 1 1 25 25 LYS HD2 H 1 1.647 0.02 . 2 . . . A 65 LYS HD2 . 25652 1 249 . 1 1 25 25 LYS HD3 H 1 1.783 0.02 . 2 . . . A 65 LYS HD3 . 25652 1 250 . 1 1 25 25 LYS HE2 H 1 2.958 0.02 . 2 . . . A 65 LYS HE2 . 25652 1 251 . 1 1 25 25 LYS HE3 H 1 2.958 0.02 . 2 . . . A 65 LYS HE3 . 25652 1 252 . 1 1 25 25 LYS CA C 13 56.689 0.40 . 1 . . . A 65 LYS CA . 25652 1 253 . 1 1 25 25 LYS CB C 13 29.283 0.40 . 1 . . . A 65 LYS CB . 25652 1 254 . 1 1 25 25 LYS CG C 13 25.756 0.40 . 1 . . . A 65 LYS CG . 25652 1 255 . 1 1 25 25 LYS CD C 13 29.073 0.40 . 1 . . . A 65 LYS CD . 25652 1 256 . 1 1 25 25 LYS CE C 13 41.680 0.40 . 1 . . . A 65 LYS CE . 25652 1 257 . 1 1 25 25 LYS N N 15 114.245 0.40 . 1 . . . A 65 LYS N . 25652 1 258 . 1 1 26 26 LEU H H 1 7.784 0.02 . 1 . . . A 66 LEU H . 25652 1 259 . 1 1 26 26 LEU HA H 1 4.104 0.02 . 1 . . . A 66 LEU HA . 25652 1 260 . 1 1 26 26 LEU HB2 H 1 1.171 0.02 . 2 . . . A 66 LEU HB2 . 25652 1 261 . 1 1 26 26 LEU HB3 H 1 1.171 0.02 . 2 . . . A 66 LEU HB3 . 25652 1 262 . 1 1 26 26 LEU HD11 H 1 0.510 0.02 . 2 . . . A 66 LEU HD11 . 25652 1 263 . 1 1 26 26 LEU HD12 H 1 0.510 0.02 . 2 . . . A 66 LEU HD12 . 25652 1 264 . 1 1 26 26 LEU HD13 H 1 0.510 0.02 . 2 . . . A 66 LEU HD13 . 25652 1 265 . 1 1 26 26 LEU HD21 H 1 0.675 0.02 . 2 . . . A 66 LEU HD21 . 25652 1 266 . 1 1 26 26 LEU HD22 H 1 0.675 0.02 . 2 . . . A 66 LEU HD22 . 25652 1 267 . 1 1 26 26 LEU HD23 H 1 0.675 0.02 . 2 . . . A 66 LEU HD23 . 25652 1 268 . 1 1 26 26 LEU CA C 13 53.570 0.40 . 1 . . . A 66 LEU CA . 25652 1 269 . 1 1 26 26 LEU CB C 13 41.907 0.40 . 1 . . . A 66 LEU CB . 25652 1 270 . 1 1 26 26 LEU CD1 C 13 26.331 0.40 . 1 . . . A 66 LEU CD1 . 25652 1 271 . 1 1 26 26 LEU CD2 C 13 24.873 0.40 . 1 . . . A 66 LEU CD2 . 25652 1 272 . 1 1 26 26 LEU N N 15 115.973 0.40 . 1 . . . A 66 LEU N . 25652 1 273 . 1 1 27 27 PRO HA H 1 4.517 0.02 . 1 . . . A 67 PRO HA . 25652 1 274 . 1 1 27 27 PRO HB2 H 1 1.901 0.02 . 2 . . . A 67 PRO HB2 . 25652 1 275 . 1 1 27 27 PRO HB3 H 1 2.392 0.02 . 2 . . . A 67 PRO HB3 . 25652 1 276 . 1 1 27 27 PRO HG2 H 1 1.744 0.02 . 2 . . . A 67 PRO HG2 . 25652 1 277 . 1 1 27 27 PRO HG3 H 1 1.957 0.02 . 2 . . . A 67 PRO HG3 . 25652 1 278 . 1 1 27 27 PRO HD2 H 1 3.219 0.02 . 2 . . . A 67 PRO HD2 . 25652 1 279 . 1 1 27 27 PRO HD3 H 1 3.718 0.02 . 2 . . . A 67 PRO HD3 . 25652 1 280 . 1 1 27 27 PRO CA C 13 62.355 0.40 . 1 . . . A 67 PRO CA . 25652 1 281 . 1 1 27 27 PRO CG C 13 27.384 0.40 . 1 . . . A 67 PRO CG . 25652 1 282 . 1 1 27 27 PRO CD C 13 49.875 0.40 . 1 . . . A 67 PRO CD . 25652 1 283 . 1 1 28 28 ILE H H 1 8.387 0.02 . 1 . . . A 68 ILE H . 25652 1 284 . 1 1 28 28 ILE HA H 1 3.922 0.02 . 1 . . . A 68 ILE HA . 25652 1 285 . 1 1 28 28 ILE HB H 1 1.903 0.02 . 1 . . . A 68 ILE HB . 25652 1 286 . 1 1 28 28 ILE HG12 H 1 1.328 0.02 . 2 . . . A 68 ILE HG12 . 25652 1 287 . 1 1 28 28 ILE HG13 H 1 1.530 0.02 . 2 . . . A 68 ILE HG13 . 25652 1 288 . 1 1 28 28 ILE HG21 H 1 1.001 0.02 . 1 . . . A 68 ILE HG21 . 25652 1 289 . 1 1 28 28 ILE HG22 H 1 1.001 0.02 . 1 . . . A 68 ILE HG22 . 25652 1 290 . 1 1 28 28 ILE HG23 H 1 1.001 0.02 . 1 . . . A 68 ILE HG23 . 25652 1 291 . 1 1 28 28 ILE HD11 H 1 0.983 0.02 . 1 . . . A 68 ILE HD11 . 25652 1 292 . 1 1 28 28 ILE HD12 H 1 0.983 0.02 . 1 . . . A 68 ILE HD12 . 25652 1 293 . 1 1 28 28 ILE HD13 H 1 0.983 0.02 . 1 . . . A 68 ILE HD13 . 25652 1 294 . 1 1 28 28 ILE CA C 13 63.187 0.40 . 1 . . . A 68 ILE CA . 25652 1 295 . 1 1 28 28 ILE CB C 13 38.439 0.40 . 1 . . . A 68 ILE CB . 25652 1 296 . 1 1 28 28 ILE CG1 C 13 28.035 0.40 . 1 . . . A 68 ILE CG1 . 25652 1 297 . 1 1 28 28 ILE CG2 C 13 17.617 0.40 . 1 . . . A 68 ILE CG2 . 25652 1 298 . 1 1 28 28 ILE CD1 C 13 13.784 0.40 . 1 . . . A 68 ILE CD1 . 25652 1 299 . 1 1 28 28 ILE N N 15 121.007 0.40 . 1 . . . A 68 ILE N . 25652 1 300 . 1 1 29 29 ASP H H 1 8.363 0.02 . 1 . . . A 69 ASP H . 25652 1 301 . 1 1 29 29 ASP HA H 1 4.578 0.02 . 1 . . . A 69 ASP HA . 25652 1 302 . 1 1 29 29 ASP HB2 H 1 2.679 0.02 . 2 . . . A 69 ASP HB2 . 25652 1 303 . 1 1 29 29 ASP HB3 H 1 2.886 0.02 . 2 . . . A 69 ASP HB3 . 25652 1 304 . 1 1 29 29 ASP CA C 13 53.588 0.40 . 1 . . . A 69 ASP CA . 25652 1 305 . 1 1 29 29 ASP CB C 13 39.613 0.40 . 1 . . . A 69 ASP CB . 25652 1 306 . 1 1 29 29 ASP N N 15 117.859 0.40 . 1 . . . A 69 ASP N . 25652 1 307 . 1 1 30 30 VAL H H 1 7.002 0.02 . 1 . . . A 70 VAL H . 25652 1 308 . 1 1 30 30 VAL HA H 1 4.051 0.02 . 1 . . . A 70 VAL HA . 25652 1 309 . 1 1 30 30 VAL HB H 1 2.042 0.02 . 1 . . . A 70 VAL HB . 25652 1 310 . 1 1 30 30 VAL HG11 H 1 0.793 0.02 . 2 . . . A 70 VAL HG11 . 25652 1 311 . 1 1 30 30 VAL HG12 H 1 0.793 0.02 . 2 . . . A 70 VAL HG12 . 25652 1 312 . 1 1 30 30 VAL HG13 H 1 0.793 0.02 . 2 . . . A 70 VAL HG13 . 25652 1 313 . 1 1 30 30 VAL HG21 H 1 1.098 0.02 . 2 . . . A 70 VAL HG21 . 25652 1 314 . 1 1 30 30 VAL HG22 H 1 1.098 0.02 . 2 . . . A 70 VAL HG22 . 25652 1 315 . 1 1 30 30 VAL HG23 H 1 1.098 0.02 . 2 . . . A 70 VAL HG23 . 25652 1 316 . 1 1 30 30 VAL CA C 13 62.118 0.40 . 1 . . . A 70 VAL CA . 25652 1 317 . 1 1 30 30 VAL CB C 13 32.002 0.40 . 1 . . . A 70 VAL CB . 25652 1 318 . 1 1 30 30 VAL CG1 C 13 20.915 0.40 . 1 . . . A 70 VAL CG1 . 25652 1 319 . 1 1 30 30 VAL CG2 C 13 23.257 0.40 . 1 . . . A 70 VAL CG2 . 25652 1 320 . 1 1 30 30 VAL N N 15 117.787 0.40 . 1 . . . A 70 VAL N . 25652 1 321 . 1 1 31 31 THR H H 1 8.138 0.02 . 1 . . . A 71 THR H . 25652 1 322 . 1 1 31 31 THR HA H 1 4.700 0.02 . 1 . . . A 71 THR HA . 25652 1 323 . 1 1 31 31 THR HB H 1 4.623 0.02 . 1 . . . A 71 THR HB . 25652 1 324 . 1 1 31 31 THR HG21 H 1 1.323 0.02 . 1 . . . A 71 THR HG21 . 25652 1 325 . 1 1 31 31 THR HG22 H 1 1.323 0.02 . 1 . . . A 71 THR HG22 . 25652 1 326 . 1 1 31 31 THR HG23 H 1 1.323 0.02 . 1 . . . A 71 THR HG23 . 25652 1 327 . 1 1 31 31 THR CA C 13 60.279 0.40 . 1 . . . A 71 THR CA . 25652 1 328 . 1 1 31 31 THR CB C 13 72.639 0.40 . 1 . . . A 71 THR CB . 25652 1 329 . 1 1 31 31 THR CG2 C 13 21.905 0.40 . 1 . . . A 71 THR CG2 . 25652 1 330 . 1 1 31 31 THR N N 15 115.673 0.40 . 1 . . . A 71 THR N . 25652 1 331 . 1 1 32 32 GLU H H 1 9.653 0.02 . 1 . . . A 72 GLU H . 25652 1 332 . 1 1 32 32 GLU HA H 1 3.951 0.02 . 1 . . . A 72 GLU HA . 25652 1 333 . 1 1 32 32 GLU HB2 H 1 1.718 0.02 . 2 . . . A 72 GLU HB2 . 25652 1 334 . 1 1 32 32 GLU HB3 H 1 2.111 0.02 . 2 . . . A 72 GLU HB3 . 25652 1 335 . 1 1 32 32 GLU HG2 H 1 2.455 0.02 . 2 . . . A 72 GLU HG2 . 25652 1 336 . 1 1 32 32 GLU HG3 H 1 2.363 0.02 . 2 . . . A 72 GLU HG3 . 25652 1 337 . 1 1 32 32 GLU CA C 13 61.505 0.40 . 1 . . . A 72 GLU CA . 25652 1 338 . 1 1 32 32 GLU CB C 13 29.110 0.40 . 1 . . . A 72 GLU CB . 25652 1 339 . 1 1 32 32 GLU CG C 13 37.924 0.40 . 1 . . . A 72 GLU CG . 25652 1 340 . 1 1 32 32 GLU N N 15 121.506 0.40 . 1 . . . A 72 GLU N . 25652 1 341 . 1 1 33 33 GLY H H 1 8.802 0.02 . 1 . . . A 73 GLY H . 25652 1 342 . 1 1 33 33 GLY HA2 H 1 3.756 0.02 . 2 . . . A 73 GLY HA2 . 25652 1 343 . 1 1 33 33 GLY HA3 H 1 3.958 0.02 . 2 . . . A 73 GLY HA3 . 25652 1 344 . 1 1 33 33 GLY CA C 13 47.190 0.40 . 1 . . . A 73 GLY CA . 25652 1 345 . 1 1 33 33 GLY N N 15 104.499 0.40 . 1 . . . A 73 GLY N . 25652 1 346 . 1 1 34 34 GLU H H 1 7.631 0.02 . 1 . . . A 74 GLU H . 25652 1 347 . 1 1 34 34 GLU HA H 1 4.021 0.02 . 1 . . . A 74 GLU HA . 25652 1 348 . 1 1 34 34 GLU HB2 H 1 1.957 0.02 . 2 . . . A 74 GLU HB2 . 25652 1 349 . 1 1 34 34 GLU HB3 H 1 2.416 0.02 . 2 . . . A 74 GLU HB3 . 25652 1 350 . 1 1 34 34 GLU HG2 H 1 2.297 0.02 . 2 . . . A 74 GLU HG2 . 25652 1 351 . 1 1 34 34 GLU HG3 H 1 2.297 0.02 . 2 . . . A 74 GLU HG3 . 25652 1 352 . 1 1 34 34 GLU CA C 13 59.269 0.40 . 1 . . . A 74 GLU CA . 25652 1 353 . 1 1 34 34 GLU CB C 13 30.860 0.40 . 1 . . . A 74 GLU CB . 25652 1 354 . 1 1 34 34 GLU CG C 13 38.339 0.40 . 1 . . . A 74 GLU CG . 25652 1 355 . 1 1 34 34 GLU N N 15 121.341 0.40 . 1 . . . A 74 GLU N . 25652 1 356 . 1 1 35 35 VAL H H 1 7.454 0.02 . 1 . . . A 75 VAL H . 25652 1 357 . 1 1 35 35 VAL HA H 1 3.503 0.02 . 1 . . . A 75 VAL HA . 25652 1 358 . 1 1 35 35 VAL HB H 1 2.127 0.02 . 1 . . . A 75 VAL HB . 25652 1 359 . 1 1 35 35 VAL HG11 H 1 0.706 0.02 . 2 . . . A 75 VAL HG11 . 25652 1 360 . 1 1 35 35 VAL HG12 H 1 0.706 0.02 . 2 . . . A 75 VAL HG12 . 25652 1 361 . 1 1 35 35 VAL HG13 H 1 0.706 0.02 . 2 . . . A 75 VAL HG13 . 25652 1 362 . 1 1 35 35 VAL HG21 H 1 0.876 0.02 . 2 . . . A 75 VAL HG21 . 25652 1 363 . 1 1 35 35 VAL HG22 H 1 0.876 0.02 . 2 . . . A 75 VAL HG22 . 25652 1 364 . 1 1 35 35 VAL HG23 H 1 0.876 0.02 . 2 . . . A 75 VAL HG23 . 25652 1 365 . 1 1 35 35 VAL CA C 13 66.940 0.40 . 1 . . . A 75 VAL CA . 25652 1 366 . 1 1 35 35 VAL CB C 13 31.332 0.40 . 1 . . . A 75 VAL CB . 25652 1 367 . 1 1 35 35 VAL CG1 C 13 22.721 0.40 . 1 . . . A 75 VAL CG1 . 25652 1 368 . 1 1 35 35 VAL CG2 C 13 24.081 0.40 . 1 . . . A 75 VAL CG2 . 25652 1 369 . 1 1 35 35 VAL N N 15 119.029 0.40 . 1 . . . A 75 VAL N . 25652 1 370 . 1 1 36 36 ILE H H 1 8.381 0.02 . 1 . . . A 76 ILE H . 25652 1 371 . 1 1 36 36 ILE HA H 1 3.591 0.02 . 1 . . . A 76 ILE HA . 25652 1 372 . 1 1 36 36 ILE HB H 1 1.894 0.02 . 1 . . . A 76 ILE HB . 25652 1 373 . 1 1 36 36 ILE HG12 H 1 1.867 0.02 . 2 . . . A 76 ILE HG12 . 25652 1 374 . 1 1 36 36 ILE HG13 H 1 0.993 0.02 . 2 . . . A 76 ILE HG13 . 25652 1 375 . 1 1 36 36 ILE HG21 H 1 1.000 0.02 . 1 . . . A 76 ILE HG21 . 25652 1 376 . 1 1 36 36 ILE HG22 H 1 1.000 0.02 . 1 . . . A 76 ILE HG22 . 25652 1 377 . 1 1 36 36 ILE HG23 H 1 1.000 0.02 . 1 . . . A 76 ILE HG23 . 25652 1 378 . 1 1 36 36 ILE HD11 H 1 0.820 0.02 . 1 . . . A 76 ILE HD11 . 25652 1 379 . 1 1 36 36 ILE HD12 H 1 0.820 0.02 . 1 . . . A 76 ILE HD12 . 25652 1 380 . 1 1 36 36 ILE HD13 H 1 0.820 0.02 . 1 . . . A 76 ILE HD13 . 25652 1 381 . 1 1 36 36 ILE CA C 13 66.091 0.40 . 1 . . . A 76 ILE CA . 25652 1 382 . 1 1 36 36 ILE CB C 13 38.465 0.40 . 1 . . . A 76 ILE CB . 25652 1 383 . 1 1 36 36 ILE CG1 C 13 30.694 0.40 . 1 . . . A 76 ILE CG1 . 25652 1 384 . 1 1 36 36 ILE CG2 C 13 17.609 0.40 . 1 . . . A 76 ILE CG2 . 25652 1 385 . 1 1 36 36 ILE CD1 C 13 14.424 0.40 . 1 . . . A 76 ILE CD1 . 25652 1 386 . 1 1 36 36 ILE N N 15 118.098 0.40 . 1 . . . A 76 ILE N . 25652 1 387 . 1 1 37 37 SER H H 1 7.890 0.02 . 1 . . . A 77 SER H . 25652 1 388 . 1 1 37 37 SER HA H 1 4.101 0.02 . 1 . . . A 77 SER HA . 25652 1 389 . 1 1 37 37 SER HB2 H 1 4.083 0.02 . 2 . . . A 77 SER HB2 . 25652 1 390 . 1 1 37 37 SER HB3 H 1 4.083 0.02 . 2 . . . A 77 SER HB3 . 25652 1 391 . 1 1 37 37 SER CA C 13 62.431 0.40 . 1 . . . A 77 SER CA . 25652 1 392 . 1 1 37 37 SER CB C 13 63.006 0.40 . 1 . . . A 77 SER CB . 25652 1 393 . 1 1 37 37 SER N N 15 113.730 0.40 . 1 . . . A 77 SER N . 25652 1 394 . 1 1 38 38 LEU H H 1 7.518 0.02 . 1 . . . A 78 LEU H . 25652 1 395 . 1 1 38 38 LEU HA H 1 4.342 0.02 . 1 . . . A 78 LEU HA . 25652 1 396 . 1 1 38 38 LEU HB2 H 1 1.284 0.02 . 2 . . . A 78 LEU HB2 . 25652 1 397 . 1 1 38 38 LEU HB3 H 1 2.012 0.02 . 2 . . . A 78 LEU HB3 . 25652 1 398 . 1 1 38 38 LEU HG H 1 1.995 0.02 . 1 . . . A 78 LEU HG . 25652 1 399 . 1 1 38 38 LEU HD11 H 1 0.754 0.02 . 2 . . . A 78 LEU HD11 . 25652 1 400 . 1 1 38 38 LEU HD12 H 1 0.754 0.02 . 2 . . . A 78 LEU HD12 . 25652 1 401 . 1 1 38 38 LEU HD13 H 1 0.754 0.02 . 2 . . . A 78 LEU HD13 . 25652 1 402 . 1 1 38 38 LEU HD21 H 1 0.759 0.02 . 2 . . . A 78 LEU HD21 . 25652 1 403 . 1 1 38 38 LEU HD22 H 1 0.759 0.02 . 2 . . . A 78 LEU HD22 . 25652 1 404 . 1 1 38 38 LEU HD23 H 1 0.759 0.02 . 2 . . . A 78 LEU HD23 . 25652 1 405 . 1 1 38 38 LEU CA C 13 56.973 0.40 . 1 . . . A 78 LEU CA . 25652 1 406 . 1 1 38 38 LEU CB C 13 42.811 0.40 . 1 . . . A 78 LEU CB . 25652 1 407 . 1 1 38 38 LEU CG C 13 26.450 0.40 . 1 . . . A 78 LEU CG . 25652 1 408 . 1 1 38 38 LEU CD1 C 13 26.306 0.40 . 1 . . . A 78 LEU CD1 . 25652 1 409 . 1 1 38 38 LEU CD2 C 13 22.229 0.40 . 1 . . . A 78 LEU CD2 . 25652 1 410 . 1 1 38 38 LEU N N 15 119.724 0.40 . 1 . . . A 78 LEU N . 25652 1 411 . 1 1 39 39 GLY H H 1 7.949 0.02 . 1 . . . A 79 GLY H . 25652 1 412 . 1 1 39 39 GLY HA2 H 1 3.482 0.02 . 2 . . . A 79 GLY HA2 . 25652 1 413 . 1 1 39 39 GLY HA3 H 1 5.081 0.02 . 2 . . . A 79 GLY HA3 . 25652 1 414 . 1 1 39 39 GLY CA C 13 46.081 0.40 . 1 . . . A 79 GLY CA . 25652 1 415 . 1 1 39 39 GLY N N 15 102.110 0.40 . 1 . . . A 79 GLY N . 25652 1 416 . 1 1 40 40 LEU H H 1 7.163 0.02 . 1 . . . A 80 LEU H . 25652 1 417 . 1 1 40 40 LEU HA H 1 4.661 0.02 . 1 . . . A 80 LEU HA . 25652 1 418 . 1 1 40 40 LEU HB2 H 1 1.609 0.02 . 2 . . . A 80 LEU HB2 . 25652 1 419 . 1 1 40 40 LEU HB3 H 1 1.872 0.02 . 2 . . . A 80 LEU HB3 . 25652 1 420 . 1 1 40 40 LEU HG H 1 1.949 0.02 . 1 . . . A 80 LEU HG . 25652 1 421 . 1 1 40 40 LEU HD11 H 1 1.006 0.02 . 2 . . . A 80 LEU HD11 . 25652 1 422 . 1 1 40 40 LEU HD12 H 1 1.006 0.02 . 2 . . . A 80 LEU HD12 . 25652 1 423 . 1 1 40 40 LEU HD13 H 1 1.006 0.02 . 2 . . . A 80 LEU HD13 . 25652 1 424 . 1 1 40 40 LEU HD21 H 1 0.989 0.02 . 2 . . . A 80 LEU HD21 . 25652 1 425 . 1 1 40 40 LEU HD22 H 1 0.989 0.02 . 2 . . . A 80 LEU HD22 . 25652 1 426 . 1 1 40 40 LEU HD23 H 1 0.989 0.02 . 2 . . . A 80 LEU HD23 . 25652 1 427 . 1 1 40 40 LEU CA C 13 57.847 0.40 . 1 . . . A 80 LEU CA . 25652 1 428 . 1 1 40 40 LEU CB C 13 40.388 0.40 . 1 . . . A 80 LEU CB . 25652 1 429 . 1 1 40 40 LEU CG C 13 26.184 0.40 . 1 . . . A 80 LEU CG . 25652 1 430 . 1 1 40 40 LEU CD1 C 13 25.483 0.40 . 1 . . . A 80 LEU CD1 . 25652 1 431 . 1 1 40 40 LEU CD2 C 13 22.637 0.40 . 1 . . . A 80 LEU CD2 . 25652 1 432 . 1 1 40 40 LEU N N 15 119.851 0.40 . 1 . . . A 80 LEU N . 25652 1 433 . 1 1 41 41 PRO HA H 1 4.127 0.02 . 1 . . . A 81 PRO HA . 25652 1 434 . 1 1 41 41 PRO HB2 H 1 -0.001 0.02 . 2 . . . A 81 PRO HB2 . 25652 1 435 . 1 1 41 41 PRO HB3 H 1 1.805 0.02 . 2 . . . A 81 PRO HB3 . 25652 1 436 . 1 1 41 41 PRO HG2 H 1 2.229 0.02 . 2 . . . A 81 PRO HG2 . 25652 1 437 . 1 1 41 41 PRO HG3 H 1 1.731 0.02 . 2 . . . A 81 PRO HG3 . 25652 1 438 . 1 1 41 41 PRO HD2 H 1 3.159 0.02 . 2 . . . A 81 PRO HD2 . 25652 1 439 . 1 1 41 41 PRO HD3 H 1 3.833 0.02 . 2 . . . A 81 PRO HD3 . 25652 1 440 . 1 1 41 41 PRO CA C 13 64.817 0.40 . 1 . . . A 81 PRO CA . 25652 1 441 . 1 1 41 41 PRO CB C 13 30.745 0.40 . 1 . . . A 81 PRO CB . 25652 1 442 . 1 1 41 41 PRO CG C 13 28.928 0.40 . 1 . . . A 81 PRO CG . 25652 1 443 . 1 1 41 41 PRO CD C 13 51.309 0.40 . 1 . . . A 81 PRO CD . 25652 1 444 . 1 1 42 42 PHE H H 1 7.780 0.02 . 1 . . . A 82 PHE H . 25652 1 445 . 1 1 42 42 PHE HA H 1 4.491 0.02 . 1 . . . A 82 PHE HA . 25652 1 446 . 1 1 42 42 PHE HB2 H 1 3.529 0.02 . 2 . . . A 82 PHE HB2 . 25652 1 447 . 1 1 42 42 PHE HB3 H 1 2.790 0.02 . 2 . . . A 82 PHE HB3 . 25652 1 448 . 1 1 42 42 PHE HD1 H 1 7.305 0.02 . 1 . . . A 82 PHE HD1 . 25652 1 449 . 1 1 42 42 PHE HD2 H 1 7.305 0.02 . 1 . . . A 82 PHE HD2 . 25652 1 450 . 1 1 42 42 PHE HE1 H 1 7.150 0.02 . 1 . . . A 82 PHE HE1 . 25652 1 451 . 1 1 42 42 PHE HE2 H 1 7.150 0.02 . 1 . . . A 82 PHE HE2 . 25652 1 452 . 1 1 42 42 PHE HZ H 1 6.169 0.02 . 1 . . . A 82 PHE HZ . 25652 1 453 . 1 1 42 42 PHE CA C 13 58.225 0.40 . 1 . . . A 82 PHE CA . 25652 1 454 . 1 1 42 42 PHE CB C 13 40.814 0.40 . 1 . . . A 82 PHE CB . 25652 1 455 . 1 1 42 42 PHE CD2 C 13 131.864 0.40 . 1 . . . A 82 PHE CD2 . 25652 1 456 . 1 1 42 42 PHE CE2 C 13 131.430 0.40 . 1 . . . A 82 PHE CE2 . 25652 1 457 . 1 1 42 42 PHE CZ C 13 129.709 0.40 . 1 . . . A 82 PHE CZ . 25652 1 458 . 1 1 42 42 PHE N N 15 112.312 0.40 . 1 . . . A 82 PHE N . 25652 1 459 . 1 1 43 43 GLY H H 1 7.619 0.02 . 1 . . . A 83 GLY H . 25652 1 460 . 1 1 43 43 GLY HA2 H 1 4.027 0.02 . 2 . . . A 83 GLY HA2 . 25652 1 461 . 1 1 43 43 GLY HA3 H 1 4.053 0.02 . 2 . . . A 83 GLY HA3 . 25652 1 462 . 1 1 43 43 GLY CA C 13 45.626 0.40 . 1 . . . A 83 GLY CA . 25652 1 463 . 1 1 43 43 GLY N N 15 106.373 0.40 . 1 . . . A 83 GLY N . 25652 1 464 . 1 1 44 44 LYS H H 1 7.477 0.02 . 1 . . . A 84 LYS H . 25652 1 465 . 1 1 44 44 LYS HA H 1 4.495 0.02 . 1 . . . A 84 LYS HA . 25652 1 466 . 1 1 44 44 LYS HB2 H 1 1.592 0.02 . 2 . . . A 84 LYS HB2 . 25652 1 467 . 1 1 44 44 LYS HB3 H 1 1.673 0.02 . 2 . . . A 84 LYS HB3 . 25652 1 468 . 1 1 44 44 LYS HG2 H 1 1.289 0.02 . 2 . . . A 84 LYS HG2 . 25652 1 469 . 1 1 44 44 LYS HG3 H 1 1.486 0.02 . 2 . . . A 84 LYS HG3 . 25652 1 470 . 1 1 44 44 LYS HD2 H 1 1.641 0.02 . 2 . . . A 84 LYS HD2 . 25652 1 471 . 1 1 44 44 LYS HD3 H 1 1.641 0.02 . 2 . . . A 84 LYS HD3 . 25652 1 472 . 1 1 44 44 LYS HE2 H 1 3.009 0.02 . 2 . . . A 84 LYS HE2 . 25652 1 473 . 1 1 44 44 LYS HE3 H 1 3.009 0.02 . 2 . . . A 84 LYS HE3 . 25652 1 474 . 1 1 44 44 LYS CA C 13 55.108 0.40 . 1 . . . A 84 LYS CA . 25652 1 475 . 1 1 44 44 LYS CB C 13 34.061 0.40 . 1 . . . A 84 LYS CB . 25652 1 476 . 1 1 44 44 LYS CG C 13 24.950 0.40 . 1 . . . A 84 LYS CG . 25652 1 477 . 1 1 44 44 LYS CD C 13 29.270 0.40 . 1 . . . A 84 LYS CD . 25652 1 478 . 1 1 44 44 LYS CE C 13 42.313 0.40 . 1 . . . A 84 LYS CE . 25652 1 479 . 1 1 44 44 LYS N N 15 118.665 0.40 . 1 . . . A 84 LYS N . 25652 1 480 . 1 1 45 45 VAL H H 1 8.229 0.02 . 1 . . . A 85 VAL H . 25652 1 481 . 1 1 45 45 VAL HA H 1 4.669 0.02 . 1 . . . A 85 VAL HA . 25652 1 482 . 1 1 45 45 VAL HB H 1 2.038 0.02 . 1 . . . A 85 VAL HB . 25652 1 483 . 1 1 45 45 VAL HG11 H 1 1.038 0.02 . 2 . . . A 85 VAL HG11 . 25652 1 484 . 1 1 45 45 VAL HG12 H 1 1.038 0.02 . 2 . . . A 85 VAL HG12 . 25652 1 485 . 1 1 45 45 VAL HG13 H 1 1.038 0.02 . 2 . . . A 85 VAL HG13 . 25652 1 486 . 1 1 45 45 VAL HG21 H 1 1.163 0.02 . 2 . . . A 85 VAL HG21 . 25652 1 487 . 1 1 45 45 VAL HG22 H 1 1.163 0.02 . 2 . . . A 85 VAL HG22 . 25652 1 488 . 1 1 45 45 VAL HG23 H 1 1.163 0.02 . 2 . . . A 85 VAL HG23 . 25652 1 489 . 1 1 45 45 VAL CA C 13 61.950 0.40 . 1 . . . A 85 VAL CA . 25652 1 490 . 1 1 45 45 VAL CB C 13 32.297 0.40 . 1 . . . A 85 VAL CB . 25652 1 491 . 1 1 45 45 VAL CG1 C 13 22.353 0.40 . 1 . . . A 85 VAL CG1 . 25652 1 492 . 1 1 45 45 VAL CG2 C 13 21.002 0.40 . 1 . . . A 85 VAL CG2 . 25652 1 493 . 1 1 45 45 VAL N N 15 126.117 0.40 . 1 . . . A 85 VAL N . 25652 1 494 . 1 1 46 46 THR H H 1 9.217 0.02 . 1 . . . A 86 THR H . 25652 1 495 . 1 1 46 46 THR HA H 1 4.322 0.02 . 1 . . . A 86 THR HA . 25652 1 496 . 1 1 46 46 THR HB H 1 4.254 0.02 . 1 . . . A 86 THR HB . 25652 1 497 . 1 1 46 46 THR HG21 H 1 1.087 0.02 . 1 . . . A 86 THR HG21 . 25652 1 498 . 1 1 46 46 THR HG22 H 1 1.087 0.02 . 1 . . . A 86 THR HG22 . 25652 1 499 . 1 1 46 46 THR HG23 H 1 1.087 0.02 . 1 . . . A 86 THR HG23 . 25652 1 500 . 1 1 46 46 THR CA C 13 62.949 0.40 . 1 . . . A 86 THR CA . 25652 1 501 . 1 1 46 46 THR CB C 13 68.640 0.40 . 1 . . . A 86 THR CB . 25652 1 502 . 1 1 46 46 THR CG2 C 13 22.589 0.40 . 1 . . . A 86 THR CG2 . 25652 1 503 . 1 1 46 46 THR N N 15 119.090 0.40 . 1 . . . A 86 THR N . 25652 1 504 . 1 1 47 47 ASN H H 1 7.933 0.02 . 1 . . . A 87 ASN H . 25652 1 505 . 1 1 47 47 ASN HA H 1 4.837 0.02 . 1 . . . A 87 ASN HA . 25652 1 506 . 1 1 47 47 ASN HB2 H 1 2.420 0.02 . 2 . . . A 87 ASN HB2 . 25652 1 507 . 1 1 47 47 ASN HB3 H 1 2.990 0.02 . 2 . . . A 87 ASN HB3 . 25652 1 508 . 1 1 47 47 ASN HD21 H 1 6.969 0.02 . 2 . . . A 87 ASN HD21 . 25652 1 509 . 1 1 47 47 ASN HD22 H 1 7.888 0.02 . 2 . . . A 87 ASN HD22 . 25652 1 510 . 1 1 47 47 ASN CA C 13 52.570 0.40 . 1 . . . A 87 ASN CA . 25652 1 511 . 1 1 47 47 ASN CB C 13 41.273 0.40 . 1 . . . A 87 ASN CB . 25652 1 512 . 1 1 47 47 ASN N N 15 117.616 0.40 . 1 . . . A 87 ASN N . 25652 1 513 . 1 1 47 47 ASN ND2 N 15 111.538 0.40 . 1 . . . A 87 ASN ND2 . 25652 1 514 . 1 1 48 48 LEU H H 1 8.571 0.02 . 1 . . . A 88 LEU H . 25652 1 515 . 1 1 48 48 LEU HA H 1 4.994 0.02 . 1 . . . A 88 LEU HA . 25652 1 516 . 1 1 48 48 LEU HB2 H 1 1.493 0.02 . 2 . . . A 88 LEU HB2 . 25652 1 517 . 1 1 48 48 LEU HB3 H 1 1.637 0.02 . 2 . . . A 88 LEU HB3 . 25652 1 518 . 1 1 48 48 LEU HG H 1 1.488 0.02 . 1 . . . A 88 LEU HG . 25652 1 519 . 1 1 48 48 LEU HD11 H 1 0.925 0.02 . 2 . . . A 88 LEU HD11 . 25652 1 520 . 1 1 48 48 LEU HD12 H 1 0.925 0.02 . 2 . . . A 88 LEU HD12 . 25652 1 521 . 1 1 48 48 LEU HD13 H 1 0.925 0.02 . 2 . . . A 88 LEU HD13 . 25652 1 522 . 1 1 48 48 LEU HD21 H 1 0.933 0.02 . 2 . . . A 88 LEU HD21 . 25652 1 523 . 1 1 48 48 LEU HD22 H 1 0.933 0.02 . 2 . . . A 88 LEU HD22 . 25652 1 524 . 1 1 48 48 LEU HD23 H 1 0.933 0.02 . 2 . . . A 88 LEU HD23 . 25652 1 525 . 1 1 48 48 LEU CA C 13 54.684 0.40 . 1 . . . A 88 LEU CA . 25652 1 526 . 1 1 48 48 LEU CB C 13 46.206 0.40 . 1 . . . A 88 LEU CB . 25652 1 527 . 1 1 48 48 LEU CG C 13 27.686 0.40 . 1 . . . A 88 LEU CG . 25652 1 528 . 1 1 48 48 LEU CD1 C 13 25.331 0.40 . 1 . . . A 88 LEU CD1 . 25652 1 529 . 1 1 48 48 LEU CD2 C 13 26.858 0.40 . 1 . . . A 88 LEU CD2 . 25652 1 530 . 1 1 48 48 LEU N N 15 121.922 0.40 . 1 . . . A 88 LEU N . 25652 1 531 . 1 1 49 49 LEU H H 1 8.868 0.02 . 1 . . . A 89 LEU H . 25652 1 532 . 1 1 49 49 LEU HA H 1 4.831 0.02 . 1 . . . A 89 LEU HA . 25652 1 533 . 1 1 49 49 LEU HB2 H 1 1.286 0.02 . 2 . . . A 89 LEU HB2 . 25652 1 534 . 1 1 49 49 LEU HB3 H 1 1.801 0.02 . 2 . . . A 89 LEU HB3 . 25652 1 535 . 1 1 49 49 LEU HG H 1 1.461 0.02 . 1 . . . A 89 LEU HG . 25652 1 536 . 1 1 49 49 LEU HD11 H 1 0.593 0.02 . 2 . . . A 89 LEU HD11 . 25652 1 537 . 1 1 49 49 LEU HD12 H 1 0.593 0.02 . 2 . . . A 89 LEU HD12 . 25652 1 538 . 1 1 49 49 LEU HD13 H 1 0.593 0.02 . 2 . . . A 89 LEU HD13 . 25652 1 539 . 1 1 49 49 LEU HD21 H 1 0.905 0.02 . 2 . . . A 89 LEU HD21 . 25652 1 540 . 1 1 49 49 LEU HD22 H 1 0.905 0.02 . 2 . . . A 89 LEU HD22 . 25652 1 541 . 1 1 49 49 LEU HD23 H 1 0.905 0.02 . 2 . . . A 89 LEU HD23 . 25652 1 542 . 1 1 49 49 LEU CA C 13 54.525 0.40 . 1 . . . A 89 LEU CA . 25652 1 543 . 1 1 49 49 LEU CB C 13 45.934 0.40 . 1 . . . A 89 LEU CB . 25652 1 544 . 1 1 49 49 LEU CG C 13 27.884 0.40 . 1 . . . A 89 LEU CG . 25652 1 545 . 1 1 49 49 LEU CD1 C 13 25.293 0.40 . 1 . . . A 89 LEU CD1 . 25652 1 546 . 1 1 49 49 LEU CD2 C 13 23.709 0.40 . 1 . . . A 89 LEU CD2 . 25652 1 547 . 1 1 49 49 LEU N N 15 125.206 0.40 . 1 . . . A 89 LEU N . 25652 1 548 . 1 1 50 50 MET H H 1 9.340 0.02 . 1 . . . A 90 MET H . 25652 1 549 . 1 1 50 50 MET HA H 1 4.774 0.02 . 1 . . . A 90 MET HA . 25652 1 550 . 1 1 50 50 MET HB2 H 1 2.093 0.02 . 2 . . . A 90 MET HB2 . 25652 1 551 . 1 1 50 50 MET HB3 H 1 2.093 0.02 . 2 . . . A 90 MET HB3 . 25652 1 552 . 1 1 50 50 MET HG2 H 1 2.445 0.02 . 2 . . . A 90 MET HG2 . 25652 1 553 . 1 1 50 50 MET HG3 H 1 2.683 0.02 . 2 . . . A 90 MET HG3 . 25652 1 554 . 1 1 50 50 MET HE1 H 1 1.845 0.02 . 1 . . . A 90 MET HE1 . 25652 1 555 . 1 1 50 50 MET HE2 H 1 1.845 0.02 . 1 . . . A 90 MET HE2 . 25652 1 556 . 1 1 50 50 MET HE3 H 1 1.845 0.02 . 1 . . . A 90 MET HE3 . 25652 1 557 . 1 1 50 50 MET CA C 13 54.733 0.40 . 1 . . . A 90 MET CA . 25652 1 558 . 1 1 50 50 MET CB C 13 33.348 0.40 . 1 . . . A 90 MET CB . 25652 1 559 . 1 1 50 50 MET CG C 13 32.165 0.40 . 1 . . . A 90 MET CG . 25652 1 560 . 1 1 50 50 MET CE C 13 17.057 0.40 . 1 . . . A 90 MET CE . 25652 1 561 . 1 1 50 50 MET N N 15 126.444 0.40 . 1 . . . A 90 MET N . 25652 1 562 . 1 1 51 51 LEU H H 1 8.395 0.02 . 1 . . . A 91 LEU H . 25652 1 563 . 1 1 51 51 LEU HA H 1 4.759 0.02 . 1 . . . A 91 LEU HA . 25652 1 564 . 1 1 51 51 LEU HB2 H 1 1.315 0.02 . 2 . . . A 91 LEU HB2 . 25652 1 565 . 1 1 51 51 LEU HB3 H 1 1.631 0.02 . 2 . . . A 91 LEU HB3 . 25652 1 566 . 1 1 51 51 LEU HG H 1 1.460 0.02 . 1 . . . A 91 LEU HG . 25652 1 567 . 1 1 51 51 LEU HD11 H 1 0.851 0.02 . 2 . . . A 91 LEU HD11 . 25652 1 568 . 1 1 51 51 LEU HD12 H 1 0.851 0.02 . 2 . . . A 91 LEU HD12 . 25652 1 569 . 1 1 51 51 LEU HD13 H 1 0.851 0.02 . 2 . . . A 91 LEU HD13 . 25652 1 570 . 1 1 51 51 LEU HD21 H 1 0.849 0.02 . 2 . . . A 91 LEU HD21 . 25652 1 571 . 1 1 51 51 LEU HD22 H 1 0.849 0.02 . 2 . . . A 91 LEU HD22 . 25652 1 572 . 1 1 51 51 LEU HD23 H 1 0.849 0.02 . 2 . . . A 91 LEU HD23 . 25652 1 573 . 1 1 51 51 LEU CA C 13 52.898 0.40 . 1 . . . A 91 LEU CA . 25652 1 574 . 1 1 51 51 LEU CB C 13 40.799 0.40 . 1 . . . A 91 LEU CB . 25652 1 575 . 1 1 51 51 LEU CG C 13 27.377 0.40 . 1 . . . A 91 LEU CG . 25652 1 576 . 1 1 51 51 LEU CD1 C 13 25.712 0.40 . 1 . . . A 91 LEU CD1 . 25652 1 577 . 1 1 51 51 LEU CD2 C 13 23.734 0.40 . 1 . . . A 91 LEU CD2 . 25652 1 578 . 1 1 51 51 LEU N N 15 126.055 0.40 . 1 . . . A 91 LEU N . 25652 1 579 . 1 1 52 52 LYS H H 1 8.366 0.02 . 1 . . . A 92 LYS H . 25652 1 580 . 1 1 52 52 LYS HA H 1 4.109 0.02 . 1 . . . A 92 LYS HA . 25652 1 581 . 1 1 52 52 LYS HB2 H 1 1.896 0.02 . 2 . . . A 92 LYS HB2 . 25652 1 582 . 1 1 52 52 LYS HB3 H 1 1.896 0.02 . 2 . . . A 92 LYS HB3 . 25652 1 583 . 1 1 52 52 LYS HG2 H 1 1.484 0.02 . 2 . . . A 92 LYS HG2 . 25652 1 584 . 1 1 52 52 LYS HG3 H 1 1.620 0.02 . 2 . . . A 92 LYS HG3 . 25652 1 585 . 1 1 52 52 LYS HD2 H 1 1.845 0.02 . 2 . . . A 92 LYS HD2 . 25652 1 586 . 1 1 52 52 LYS HD3 H 1 1.845 0.02 . 2 . . . A 92 LYS HD3 . 25652 1 587 . 1 1 52 52 LYS HE2 H 1 3.039 0.02 . 2 . . . A 92 LYS HE2 . 25652 1 588 . 1 1 52 52 LYS HE3 H 1 3.039 0.02 . 2 . . . A 92 LYS HE3 . 25652 1 589 . 1 1 52 52 LYS CA C 13 59.587 0.40 . 1 . . . A 92 LYS CA . 25652 1 590 . 1 1 52 52 LYS CB C 13 32.239 0.40 . 1 . . . A 92 LYS CB . 25652 1 591 . 1 1 52 52 LYS CG C 13 25.392 0.40 . 1 . . . A 92 LYS CG . 25652 1 592 . 1 1 52 52 LYS CD C 13 29.252 0.40 . 1 . . . A 92 LYS CD . 25652 1 593 . 1 1 52 52 LYS CE C 13 42.219 0.40 . 1 . . . A 92 LYS CE . 25652 1 594 . 1 1 52 52 LYS N N 15 124.396 0.40 . 1 . . . A 92 LYS N . 25652 1 595 . 1 1 53 53 GLY H H 1 8.939 0.02 . 1 . . . A 93 GLY H . 25652 1 596 . 1 1 53 53 GLY HA2 H 1 4.077 0.02 . 2 . . . A 93 GLY HA2 . 25652 1 597 . 1 1 53 53 GLY HA3 H 1 3.909 0.02 . 2 . . . A 93 GLY HA3 . 25652 1 598 . 1 1 53 53 GLY CA C 13 45.968 0.40 . 1 . . . A 93 GLY CA . 25652 1 599 . 1 1 53 53 GLY N N 15 108.853 0.40 . 1 . . . A 93 GLY N . 25652 1 600 . 1 1 54 54 LYS H H 1 7.354 0.02 . 1 . . . A 94 LYS H . 25652 1 601 . 1 1 54 54 LYS HA H 1 4.499 0.02 . 1 . . . A 94 LYS HA . 25652 1 602 . 1 1 54 54 LYS HB2 H 1 1.492 0.02 . 2 . . . A 94 LYS HB2 . 25652 1 603 . 1 1 54 54 LYS HB3 H 1 1.985 0.02 . 2 . . . A 94 LYS HB3 . 25652 1 604 . 1 1 54 54 LYS HG2 H 1 1.397 0.02 . 2 . . . A 94 LYS HG2 . 25652 1 605 . 1 1 54 54 LYS HG3 H 1 1.397 0.02 . 2 . . . A 94 LYS HG3 . 25652 1 606 . 1 1 54 54 LYS HD2 H 1 1.621 0.02 . 2 . . . A 94 LYS HD2 . 25652 1 607 . 1 1 54 54 LYS HD3 H 1 1.621 0.02 . 2 . . . A 94 LYS HD3 . 25652 1 608 . 1 1 54 54 LYS HE2 H 1 2.997 0.02 . 2 . . . A 94 LYS HE2 . 25652 1 609 . 1 1 54 54 LYS HE3 H 1 2.997 0.02 . 2 . . . A 94 LYS HE3 . 25652 1 610 . 1 1 54 54 LYS CA C 13 54.376 0.40 . 1 . . . A 94 LYS CA . 25652 1 611 . 1 1 54 54 LYS CB C 13 33.466 0.40 . 1 . . . A 94 LYS CB . 25652 1 612 . 1 1 54 54 LYS CG C 13 24.833 0.40 . 1 . . . A 94 LYS CG . 25652 1 613 . 1 1 54 54 LYS CD C 13 28.740 0.40 . 1 . . . A 94 LYS CD . 25652 1 614 . 1 1 54 54 LYS CE C 13 42.245 0.40 . 1 . . . A 94 LYS CE . 25652 1 615 . 1 1 54 54 LYS N N 15 115.629 0.40 . 1 . . . A 94 LYS N . 25652 1 616 . 1 1 55 55 ASN H H 1 8.106 0.02 . 1 . . . A 95 ASN H . 25652 1 617 . 1 1 55 55 ASN HA H 1 4.482 0.02 . 1 . . . A 95 ASN HA . 25652 1 618 . 1 1 55 55 ASN HB2 H 1 3.075 0.02 . 2 . . . A 95 ASN HB2 . 25652 1 619 . 1 1 55 55 ASN HB3 H 1 3.279 0.02 . 2 . . . A 95 ASN HB3 . 25652 1 620 . 1 1 55 55 ASN CA C 13 54.504 0.40 . 1 . . . A 95 ASN CA . 25652 1 621 . 1 1 55 55 ASN CB C 13 37.098 0.40 . 1 . . . A 95 ASN CB . 25652 1 622 . 1 1 55 55 ASN N N 15 115.799 0.40 . 1 . . . A 95 ASN N . 25652 1 623 . 1 1 56 56 GLN H H 1 7.354 0.02 . 1 . . . A 96 GLN H . 25652 1 624 . 1 1 56 56 GLN HA H 1 5.210 0.02 . 1 . . . A 96 GLN HA . 25652 1 625 . 1 1 56 56 GLN HB2 H 1 1.599 0.02 . 2 . . . A 96 GLN HB2 . 25652 1 626 . 1 1 56 56 GLN HB3 H 1 1.985 0.02 . 2 . . . A 96 GLN HB3 . 25652 1 627 . 1 1 56 56 GLN HG2 H 1 2.272 0.02 . 2 . . . A 96 GLN HG2 . 25652 1 628 . 1 1 56 56 GLN HG3 H 1 2.513 0.02 . 2 . . . A 96 GLN HG3 . 25652 1 629 . 1 1 56 56 GLN CB C 13 35.874 0.40 . 1 . . . A 96 GLN CB . 25652 1 630 . 1 1 56 56 GLN CG C 13 34.380 0.40 . 1 . . . A 96 GLN CG . 25652 1 631 . 1 1 56 56 GLN N N 15 113.336 0.40 . 1 . . . A 96 GLN N . 25652 1 632 . 1 1 57 57 ALA H H 1 8.647 0.02 . 1 . . . A 97 ALA H . 25652 1 633 . 1 1 57 57 ALA HA H 1 4.925 0.02 . 1 . . . A 97 ALA HA . 25652 1 634 . 1 1 57 57 ALA HB1 H 1 1.288 0.02 . 1 . . . A 97 ALA HB1 . 25652 1 635 . 1 1 57 57 ALA HB2 H 1 1.288 0.02 . 1 . . . A 97 ALA HB2 . 25652 1 636 . 1 1 57 57 ALA HB3 H 1 1.288 0.02 . 1 . . . A 97 ALA HB3 . 25652 1 637 . 1 1 57 57 ALA CA C 13 51.566 0.40 . 1 . . . A 97 ALA CA . 25652 1 638 . 1 1 57 57 ALA CB C 13 24.215 0.40 . 1 . . . A 97 ALA CB . 25652 1 639 . 1 1 57 57 ALA N N 15 119.398 0.40 . 1 . . . A 97 ALA N . 25652 1 640 . 1 1 58 58 PHE H H 1 9.084 0.02 . 1 . . . A 98 PHE H . 25652 1 641 . 1 1 58 58 PHE HA H 1 5.837 0.02 . 1 . . . A 98 PHE HA . 25652 1 642 . 1 1 58 58 PHE HB2 H 1 2.782 0.02 . 2 . . . A 98 PHE HB2 . 25652 1 643 . 1 1 58 58 PHE HB3 H 1 2.786 0.02 . 2 . . . A 98 PHE HB3 . 25652 1 644 . 1 1 58 58 PHE HD1 H 1 7.079 0.02 . 1 . . . A 98 PHE HD1 . 25652 1 645 . 1 1 58 58 PHE HD2 H 1 7.079 0.02 . 1 . . . A 98 PHE HD2 . 25652 1 646 . 1 1 58 58 PHE HE1 H 1 7.410 0.02 . 1 . . . A 98 PHE HE1 . 25652 1 647 . 1 1 58 58 PHE HE2 H 1 7.410 0.02 . 1 . . . A 98 PHE HE2 . 25652 1 648 . 1 1 58 58 PHE HZ H 1 7.256 0.02 . 1 . . . A 98 PHE HZ . 25652 1 649 . 1 1 58 58 PHE CA C 13 55.795 0.40 . 1 . . . A 98 PHE CA . 25652 1 650 . 1 1 58 58 PHE CB C 13 43.495 0.40 . 1 . . . A 98 PHE CB . 25652 1 651 . 1 1 58 58 PHE CD1 C 13 131.394 0.40 . 1 . . . A 98 PHE CD1 . 25652 1 652 . 1 1 58 58 PHE CE1 C 13 131.772 0.40 . 1 . . . A 98 PHE CE1 . 25652 1 653 . 1 1 58 58 PHE CZ C 13 128.584 0.40 . 1 . . . A 98 PHE CZ . 25652 1 654 . 1 1 58 58 PHE N N 15 116.037 0.40 . 1 . . . A 98 PHE N . 25652 1 655 . 1 1 59 59 ILE H H 1 9.122 0.02 . 1 . . . A 99 ILE H . 25652 1 656 . 1 1 59 59 ILE HA H 1 4.764 0.02 . 1 . . . A 99 ILE HA . 25652 1 657 . 1 1 59 59 ILE HB H 1 1.674 0.02 . 1 . . . A 99 ILE HB . 25652 1 658 . 1 1 59 59 ILE HG12 H 1 1.591 0.02 . 2 . . . A 99 ILE HG12 . 25652 1 659 . 1 1 59 59 ILE HG13 H 1 0.964 0.02 . 2 . . . A 99 ILE HG13 . 25652 1 660 . 1 1 59 59 ILE HG21 H 1 0.911 0.02 . 1 . . . A 99 ILE HG21 . 25652 1 661 . 1 1 59 59 ILE HG22 H 1 0.911 0.02 . 1 . . . A 99 ILE HG22 . 25652 1 662 . 1 1 59 59 ILE HG23 H 1 0.911 0.02 . 1 . . . A 99 ILE HG23 . 25652 1 663 . 1 1 59 59 ILE HD11 H 1 0.734 0.02 . 1 . . . A 99 ILE HD11 . 25652 1 664 . 1 1 59 59 ILE HD12 H 1 0.734 0.02 . 1 . . . A 99 ILE HD12 . 25652 1 665 . 1 1 59 59 ILE HD13 H 1 0.734 0.02 . 1 . . . A 99 ILE HD13 . 25652 1 666 . 1 1 59 59 ILE CA C 13 60.096 0.40 . 1 . . . A 99 ILE CA . 25652 1 667 . 1 1 59 59 ILE CB C 13 42.405 0.40 . 1 . . . A 99 ILE CB . 25652 1 668 . 1 1 59 59 ILE CG1 C 13 27.457 0.40 . 1 . . . A 99 ILE CG1 . 25652 1 669 . 1 1 59 59 ILE CG2 C 13 18.468 0.40 . 1 . . . A 99 ILE CG2 . 25652 1 670 . 1 1 59 59 ILE CD1 C 13 14.321 0.40 . 1 . . . A 99 ILE CD1 . 25652 1 671 . 1 1 59 59 ILE N N 15 118.305 0.40 . 1 . . . A 99 ILE N . 25652 1 672 . 1 1 60 60 GLU H H 1 8.492 0.02 . 1 . . . A 100 GLU H . 25652 1 673 . 1 1 60 60 GLU HA H 1 5.036 0.02 . 1 . . . A 100 GLU HA . 25652 1 674 . 1 1 60 60 GLU HB2 H 1 2.103 0.02 . 2 . . . A 100 GLU HB2 . 25652 1 675 . 1 1 60 60 GLU HB3 H 1 1.653 0.02 . 2 . . . A 100 GLU HB3 . 25652 1 676 . 1 1 60 60 GLU HG2 H 1 1.944 0.02 . 2 . . . A 100 GLU HG2 . 25652 1 677 . 1 1 60 60 GLU HG3 H 1 2.289 0.02 . 2 . . . A 100 GLU HG3 . 25652 1 678 . 1 1 60 60 GLU CA C 13 54.651 0.40 . 1 . . . A 100 GLU CA . 25652 1 679 . 1 1 60 60 GLU CB C 13 33.823 0.40 . 1 . . . A 100 GLU CB . 25652 1 680 . 1 1 60 60 GLU CG C 13 37.585 0.40 . 1 . . . A 100 GLU CG . 25652 1 681 . 1 1 60 60 GLU N N 15 127.259 0.40 . 1 . . . A 100 GLU N . 25652 1 682 . 1 1 61 61 MET H H 1 8.879 0.02 . 1 . . . A 101 MET H . 25652 1 683 . 1 1 61 61 MET HA H 1 5.744 0.02 . 1 . . . A 101 MET HA . 25652 1 684 . 1 1 61 61 MET HB2 H 1 2.407 0.02 . 2 . . . A 101 MET HB2 . 25652 1 685 . 1 1 61 61 MET HB3 H 1 2.671 0.02 . 2 . . . A 101 MET HB3 . 25652 1 686 . 1 1 61 61 MET HG2 H 1 2.303 0.02 . 2 . . . A 101 MET HG2 . 25652 1 687 . 1 1 61 61 MET HG3 H 1 2.303 0.02 . 2 . . . A 101 MET HG3 . 25652 1 688 . 1 1 61 61 MET HE1 H 1 1.938 0.02 . 1 . . . A 101 MET HE1 . 25652 1 689 . 1 1 61 61 MET HE2 H 1 1.938 0.02 . 1 . . . A 101 MET HE2 . 25652 1 690 . 1 1 61 61 MET HE3 H 1 1.938 0.02 . 1 . . . A 101 MET HE3 . 25652 1 691 . 1 1 61 61 MET CA C 13 52.032 0.40 . 1 . . . A 101 MET CA . 25652 1 692 . 1 1 61 61 MET CB C 13 32.623 0.40 . 1 . . . A 101 MET CB . 25652 1 693 . 1 1 61 61 MET CG C 13 32.131 0.40 . 1 . . . A 101 MET CG . 25652 1 694 . 1 1 61 61 MET CE C 13 16.125 0.40 . 1 . . . A 101 MET CE . 25652 1 695 . 1 1 61 61 MET N N 15 123.186 0.40 . 1 . . . A 101 MET N . 25652 1 696 . 1 1 62 62 ASN H H 1 9.131 0.02 . 1 . . . A 102 ASN H . 25652 1 697 . 1 1 62 62 ASN HA H 1 4.392 0.02 . 1 . . . A 102 ASN HA . 25652 1 698 . 1 1 62 62 ASN HB2 H 1 2.864 0.02 . 2 . . . A 102 ASN HB2 . 25652 1 699 . 1 1 62 62 ASN HB3 H 1 3.017 0.02 . 2 . . . A 102 ASN HB3 . 25652 1 700 . 1 1 62 62 ASN HD21 H 1 7.883 0.02 . 2 . . . A 102 ASN HD21 . 25652 1 701 . 1 1 62 62 ASN HD22 H 1 7.230 0.02 . 2 . . . A 102 ASN HD22 . 25652 1 702 . 1 1 62 62 ASN CA C 13 56.592 0.40 . 1 . . . A 102 ASN CA . 25652 1 703 . 1 1 62 62 ASN CB C 13 37.748 0.40 . 1 . . . A 102 ASN CB . 25652 1 704 . 1 1 62 62 ASN N N 15 116.695 0.40 . 1 . . . A 102 ASN N . 25652 1 705 . 1 1 62 62 ASN ND2 N 15 115.030 0.40 . 1 . . . A 102 ASN ND2 . 25652 1 706 . 1 1 63 63 THR H H 1 7.326 0.02 . 1 . . . A 103 THR H . 25652 1 707 . 1 1 63 63 THR HA H 1 4.817 0.02 . 1 . . . A 103 THR HA . 25652 1 708 . 1 1 63 63 THR HB H 1 4.811 0.02 . 1 . . . A 103 THR HB . 25652 1 709 . 1 1 63 63 THR HG21 H 1 1.346 0.02 . 1 . . . A 103 THR HG21 . 25652 1 710 . 1 1 63 63 THR HG22 H 1 1.346 0.02 . 1 . . . A 103 THR HG22 . 25652 1 711 . 1 1 63 63 THR HG23 H 1 1.346 0.02 . 1 . . . A 103 THR HG23 . 25652 1 712 . 1 1 63 63 THR CA C 13 58.908 0.40 . 1 . . . A 103 THR CA . 25652 1 713 . 1 1 63 63 THR CB C 13 72.994 0.40 . 1 . . . A 103 THR CB . 25652 1 714 . 1 1 63 63 THR CG2 C 13 21.969 0.40 . 1 . . . A 103 THR CG2 . 25652 1 715 . 1 1 63 63 THR N N 15 104.623 0.40 . 1 . . . A 103 THR N . 25652 1 716 . 1 1 64 64 GLU H H 1 9.370 0.02 . 1 . . . A 104 GLU H . 25652 1 717 . 1 1 64 64 GLU HA H 1 3.933 0.02 . 1 . . . A 104 GLU HA . 25652 1 718 . 1 1 64 64 GLU HB2 H 1 1.980 0.02 . 2 . . . A 104 GLU HB2 . 25652 1 719 . 1 1 64 64 GLU HB3 H 1 2.106 0.02 . 2 . . . A 104 GLU HB3 . 25652 1 720 . 1 1 64 64 GLU HG2 H 1 2.253 0.02 . 2 . . . A 104 GLU HG2 . 25652 1 721 . 1 1 64 64 GLU HG3 H 1 2.411 0.02 . 2 . . . A 104 GLU HG3 . 25652 1 722 . 1 1 64 64 GLU CA C 13 60.193 0.40 . 1 . . . A 104 GLU CA . 25652 1 723 . 1 1 64 64 GLU CB C 13 29.434 0.40 . 1 . . . A 104 GLU CB . 25652 1 724 . 1 1 64 64 GLU CG C 13 37.301 0.40 . 1 . . . A 104 GLU CG . 25652 1 725 . 1 1 64 64 GLU N N 15 122.574 0.40 . 1 . . . A 104 GLU N . 25652 1 726 . 1 1 65 65 GLU H H 1 8.726 0.02 . 1 . . . A 105 GLU H . 25652 1 727 . 1 1 65 65 GLU HA H 1 4.203 0.02 . 1 . . . A 105 GLU HA . 25652 1 728 . 1 1 65 65 GLU HB2 H 1 2.093 0.02 . 2 . . . A 105 GLU HB2 . 25652 1 729 . 1 1 65 65 GLU HB3 H 1 2.228 0.02 . 2 . . . A 105 GLU HB3 . 25652 1 730 . 1 1 65 65 GLU HG2 H 1 2.414 0.02 . 2 . . . A 105 GLU HG2 . 25652 1 731 . 1 1 65 65 GLU HG3 H 1 2.438 0.02 . 2 . . . A 105 GLU HG3 . 25652 1 732 . 1 1 65 65 GLU CA C 13 60.277 0.40 . 1 . . . A 105 GLU CA . 25652 1 733 . 1 1 65 65 GLU CB C 13 29.233 0.40 . 1 . . . A 105 GLU CB . 25652 1 734 . 1 1 65 65 GLU CG C 13 36.703 0.40 . 1 . . . A 105 GLU CG . 25652 1 735 . 1 1 65 65 GLU N N 15 120.124 0.40 . 1 . . . A 105 GLU N . 25652 1 736 . 1 1 66 66 ALA H H 1 8.367 0.02 . 1 . . . A 106 ALA H . 25652 1 737 . 1 1 66 66 ALA HA H 1 4.282 0.02 . 1 . . . A 106 ALA HA . 25652 1 738 . 1 1 66 66 ALA HB1 H 1 1.649 0.02 . 1 . . . A 106 ALA HB1 . 25652 1 739 . 1 1 66 66 ALA HB2 H 1 1.649 0.02 . 1 . . . A 106 ALA HB2 . 25652 1 740 . 1 1 66 66 ALA HB3 H 1 1.649 0.02 . 1 . . . A 106 ALA HB3 . 25652 1 741 . 1 1 66 66 ALA CA C 13 55.261 0.40 . 1 . . . A 106 ALA CA . 25652 1 742 . 1 1 66 66 ALA CB C 13 19.789 0.40 . 1 . . . A 106 ALA CB . 25652 1 743 . 1 1 66 66 ALA N N 15 124.279 0.40 . 1 . . . A 106 ALA N . 25652 1 744 . 1 1 67 67 ALA H H 1 7.457 0.02 . 1 . . . A 107 ALA H . 25652 1 745 . 1 1 67 67 ALA HA H 1 4.071 0.02 . 1 . . . A 107 ALA HA . 25652 1 746 . 1 1 67 67 ALA HB1 H 1 1.839 0.02 . 1 . . . A 107 ALA HB1 . 25652 1 747 . 1 1 67 67 ALA HB2 H 1 1.839 0.02 . 1 . . . A 107 ALA HB2 . 25652 1 748 . 1 1 67 67 ALA HB3 H 1 1.839 0.02 . 1 . . . A 107 ALA HB3 . 25652 1 749 . 1 1 67 67 ALA CA C 13 55.747 0.40 . 1 . . . A 107 ALA CA . 25652 1 750 . 1 1 67 67 ALA CB C 13 19.544 0.40 . 1 . . . A 107 ALA CB . 25652 1 751 . 1 1 67 67 ALA N N 15 118.758 0.40 . 1 . . . A 107 ALA N . 25652 1 752 . 1 1 68 68 ASN H H 1 8.988 0.02 . 1 . . . A 108 ASN H . 25652 1 753 . 1 1 68 68 ASN HA H 1 4.725 0.02 . 1 . . . A 108 ASN HA . 25652 1 754 . 1 1 68 68 ASN HB2 H 1 3.030 0.02 . 2 . . . A 108 ASN HB2 . 25652 1 755 . 1 1 68 68 ASN HB3 H 1 3.033 0.02 . 2 . . . A 108 ASN HB3 . 25652 1 756 . 1 1 68 68 ASN HD21 H 1 7.707 0.02 . 2 . . . A 108 ASN HD21 . 25652 1 757 . 1 1 68 68 ASN HD22 H 1 6.959 0.02 . 2 . . . A 108 ASN HD22 . 25652 1 758 . 1 1 68 68 ASN CB C 13 39.644 0.40 . 1 . . . A 108 ASN CB . 25652 1 759 . 1 1 68 68 ASN N N 15 116.774 0.40 . 1 . . . A 108 ASN N . 25652 1 760 . 1 1 68 68 ASN ND2 N 15 112.801 0.40 . 1 . . . A 108 ASN ND2 . 25652 1 761 . 1 1 69 69 THR H H 1 8.602 0.02 . 1 . . . A 109 THR H . 25652 1 762 . 1 1 69 69 THR HA H 1 3.959 0.02 . 1 . . . A 109 THR HA . 25652 1 763 . 1 1 69 69 THR HB H 1 4.486 0.02 . 1 . . . A 109 THR HB . 25652 1 764 . 1 1 69 69 THR HG21 H 1 1.518 0.02 . 1 . . . A 109 THR HG21 . 25652 1 765 . 1 1 69 69 THR HG22 H 1 1.518 0.02 . 1 . . . A 109 THR HG22 . 25652 1 766 . 1 1 69 69 THR HG23 H 1 1.518 0.02 . 1 . . . A 109 THR HG23 . 25652 1 767 . 1 1 69 69 THR CA C 13 66.836 0.40 . 1 . . . A 109 THR CA . 25652 1 768 . 1 1 69 69 THR CB C 13 68.762 0.40 . 1 . . . A 109 THR CB . 25652 1 769 . 1 1 69 69 THR CG2 C 13 22.473 0.40 . 1 . . . A 109 THR CG2 . 25652 1 770 . 1 1 69 69 THR N N 15 116.907 0.40 . 1 . . . A 109 THR N . 25652 1 771 . 1 1 70 70 MET H H 1 7.807 0.02 . 1 . . . A 110 MET H . 25652 1 772 . 1 1 70 70 MET HA H 1 2.229 0.02 . 1 . . . A 110 MET HA . 25652 1 773 . 1 1 70 70 MET HB2 H 1 1.502 0.02 . 2 . . . A 110 MET HB2 . 25652 1 774 . 1 1 70 70 MET HB3 H 1 2.157 0.02 . 2 . . . A 110 MET HB3 . 25652 1 775 . 1 1 70 70 MET HG2 H 1 2.080 0.02 . 2 . . . A 110 MET HG2 . 25652 1 776 . 1 1 70 70 MET HG3 H 1 2.474 0.02 . 2 . . . A 110 MET HG3 . 25652 1 777 . 1 1 70 70 MET HE1 H 1 1.971 0.02 . 1 . . . A 110 MET HE1 . 25652 1 778 . 1 1 70 70 MET HE2 H 1 1.971 0.02 . 1 . . . A 110 MET HE2 . 25652 1 779 . 1 1 70 70 MET HE3 H 1 1.971 0.02 . 1 . . . A 110 MET HE3 . 25652 1 780 . 1 1 70 70 MET CA C 13 59.188 0.40 . 1 . . . A 110 MET CA . 25652 1 781 . 1 1 70 70 MET CB C 13 32.869 0.40 . 1 . . . A 110 MET CB . 25652 1 782 . 1 1 70 70 MET CG C 13 33.031 0.40 . 1 . . . A 110 MET CG . 25652 1 783 . 1 1 70 70 MET CE C 13 18.167 0.40 . 1 . . . A 110 MET CE . 25652 1 784 . 1 1 70 70 MET N N 15 123.180 0.40 . 1 . . . A 110 MET N . 25652 1 785 . 1 1 71 71 VAL H H 1 8.292 0.02 . 1 . . . A 111 VAL H . 25652 1 786 . 1 1 71 71 VAL HA H 1 3.315 0.02 . 1 . . . A 111 VAL HA . 25652 1 787 . 1 1 71 71 VAL HB H 1 1.609 0.02 . 1 . . . A 111 VAL HB . 25652 1 788 . 1 1 71 71 VAL HG11 H 1 0.184 0.02 . 2 . . . A 111 VAL HG11 . 25652 1 789 . 1 1 71 71 VAL HG12 H 1 0.184 0.02 . 2 . . . A 111 VAL HG12 . 25652 1 790 . 1 1 71 71 VAL HG13 H 1 0.184 0.02 . 2 . . . A 111 VAL HG13 . 25652 1 791 . 1 1 71 71 VAL HG21 H 1 0.494 0.02 . 2 . . . A 111 VAL HG21 . 25652 1 792 . 1 1 71 71 VAL HG22 H 1 0.494 0.02 . 2 . . . A 111 VAL HG22 . 25652 1 793 . 1 1 71 71 VAL HG23 H 1 0.494 0.02 . 2 . . . A 111 VAL HG23 . 25652 1 794 . 1 1 71 71 VAL CA C 13 67.388 0.40 . 1 . . . A 111 VAL CA . 25652 1 795 . 1 1 71 71 VAL CB C 13 31.339 0.40 . 1 . . . A 111 VAL CB . 25652 1 796 . 1 1 71 71 VAL CG1 C 13 23.646 0.40 . 1 . . . A 111 VAL CG1 . 25652 1 797 . 1 1 71 71 VAL CG2 C 13 20.938 0.40 . 1 . . . A 111 VAL CG2 . 25652 1 798 . 1 1 71 71 VAL N N 15 118.497 0.40 . 1 . . . A 111 VAL N . 25652 1 799 . 1 1 72 72 ASN H H 1 8.346 0.02 . 1 . . . A 112 ASN H . 25652 1 800 . 1 1 72 72 ASN HA H 1 4.395 0.02 . 1 . . . A 112 ASN HA . 25652 1 801 . 1 1 72 72 ASN HB2 H 1 2.796 0.02 . 2 . . . A 112 ASN HB2 . 25652 1 802 . 1 1 72 72 ASN HB3 H 1 2.966 0.02 . 2 . . . A 112 ASN HB3 . 25652 1 803 . 1 1 72 72 ASN HD21 H 1 7.609 0.02 . 2 . . . A 112 ASN HD21 . 25652 1 804 . 1 1 72 72 ASN HD22 H 1 6.905 0.02 . 2 . . . A 112 ASN HD22 . 25652 1 805 . 1 1 72 72 ASN CA C 13 56.745 0.40 . 1 . . . A 112 ASN CA . 25652 1 806 . 1 1 72 72 ASN CB C 13 38.347 0.40 . 1 . . . A 112 ASN CB . 25652 1 807 . 1 1 72 72 ASN N N 15 118.524 0.40 . 1 . . . A 112 ASN N . 25652 1 808 . 1 1 72 72 ASN ND2 N 15 112.255 0.40 . 1 . . . A 112 ASN ND2 . 25652 1 809 . 1 1 73 73 TYR H H 1 8.316 0.02 . 1 . . . A 113 TYR H . 25652 1 810 . 1 1 73 73 TYR HA H 1 4.102 0.02 . 1 . . . A 113 TYR HA . 25652 1 811 . 1 1 73 73 TYR HB2 H 1 2.617 0.02 . 2 . . . A 113 TYR HB2 . 25652 1 812 . 1 1 73 73 TYR HB3 H 1 3.009 0.02 . 2 . . . A 113 TYR HB3 . 25652 1 813 . 1 1 73 73 TYR HD1 H 1 6.370 0.02 . 1 . . . A 113 TYR HD1 . 25652 1 814 . 1 1 73 73 TYR HD2 H 1 6.370 0.02 . 1 . . . A 113 TYR HD2 . 25652 1 815 . 1 1 73 73 TYR HE1 H 1 6.713 0.02 . 1 . . . A 113 TYR HE1 . 25652 1 816 . 1 1 73 73 TYR HE2 H 1 6.713 0.02 . 1 . . . A 113 TYR HE2 . 25652 1 817 . 1 1 73 73 TYR CA C 13 62.422 0.40 . 1 . . . A 113 TYR CA . 25652 1 818 . 1 1 73 73 TYR CB C 13 38.682 0.40 . 1 . . . A 113 TYR CB . 25652 1 819 . 1 1 73 73 TYR CD2 C 13 133.509 0.40 . 1 . . . A 113 TYR CD2 . 25652 1 820 . 1 1 73 73 TYR CE2 C 13 117.935 0.40 . 1 . . . A 113 TYR CE2 . 25652 1 821 . 1 1 73 73 TYR N N 15 123.463 0.40 . 1 . . . A 113 TYR N . 25652 1 822 . 1 1 74 74 TYR H H 1 7.899 0.02 . 1 . . . A 114 TYR H . 25652 1 823 . 1 1 74 74 TYR HA H 1 5.264 0.02 . 1 . . . A 114 TYR HA . 25652 1 824 . 1 1 74 74 TYR HB2 H 1 2.662 0.02 . 2 . . . A 114 TYR HB2 . 25652 1 825 . 1 1 74 74 TYR HB3 H 1 3.461 0.02 . 2 . . . A 114 TYR HB3 . 25652 1 826 . 1 1 74 74 TYR HD1 H 1 7.255 0.02 . 1 . . . A 114 TYR HD1 . 25652 1 827 . 1 1 74 74 TYR HD2 H 1 7.255 0.02 . 1 . . . A 114 TYR HD2 . 25652 1 828 . 1 1 74 74 TYR HE1 H 1 7.047 0.02 . 1 . . . A 114 TYR HE1 . 25652 1 829 . 1 1 74 74 TYR HE2 H 1 7.047 0.02 . 1 . . . A 114 TYR HE2 . 25652 1 830 . 1 1 74 74 TYR CA C 13 59.510 0.40 . 1 . . . A 114 TYR CA . 25652 1 831 . 1 1 74 74 TYR CB C 13 37.319 0.40 . 1 . . . A 114 TYR CB . 25652 1 832 . 1 1 74 74 TYR CD1 C 13 133.642 0.40 . 1 . . . A 114 TYR CD1 . 25652 1 833 . 1 1 74 74 TYR CE1 C 13 117.493 0.40 . 1 . . . A 114 TYR CE1 . 25652 1 834 . 1 1 74 74 TYR N N 15 116.024 0.40 . 1 . . . A 114 TYR N . 25652 1 835 . 1 1 75 75 THR H H 1 7.654 0.02 . 1 . . . A 115 THR H . 25652 1 836 . 1 1 75 75 THR HA H 1 4.379 0.02 . 1 . . . A 115 THR HA . 25652 1 837 . 1 1 75 75 THR HB H 1 4.408 0.02 . 1 . . . A 115 THR HB . 25652 1 838 . 1 1 75 75 THR HG21 H 1 1.375 0.02 . 1 . . . A 115 THR HG21 . 25652 1 839 . 1 1 75 75 THR HG22 H 1 1.375 0.02 . 1 . . . A 115 THR HG22 . 25652 1 840 . 1 1 75 75 THR HG23 H 1 1.375 0.02 . 1 . . . A 115 THR HG23 . 25652 1 841 . 1 1 75 75 THR CA C 13 65.104 0.40 . 1 . . . A 115 THR CA . 25652 1 842 . 1 1 75 75 THR CB C 13 69.450 0.40 . 1 . . . A 115 THR CB . 25652 1 843 . 1 1 75 75 THR CG2 C 13 21.332 0.40 . 1 . . . A 115 THR CG2 . 25652 1 844 . 1 1 75 75 THR N N 15 113.313 0.40 . 1 . . . A 115 THR N . 25652 1 845 . 1 1 76 76 SER H H 1 7.377 0.02 . 1 . . . A 116 SER H . 25652 1 846 . 1 1 76 76 SER HA H 1 4.577 0.02 . 1 . . . A 116 SER HA . 25652 1 847 . 1 1 76 76 SER HB2 H 1 3.901 0.02 . 2 . . . A 116 SER HB2 . 25652 1 848 . 1 1 76 76 SER HB3 H 1 3.922 0.02 . 2 . . . A 116 SER HB3 . 25652 1 849 . 1 1 76 76 SER CA C 13 59.658 0.40 . 1 . . . A 116 SER CA . 25652 1 850 . 1 1 76 76 SER CB C 13 64.422 0.40 . 1 . . . A 116 SER CB . 25652 1 851 . 1 1 76 76 SER N N 15 116.083 0.40 . 1 . . . A 116 SER N . 25652 1 852 . 1 1 77 77 VAL H H 1 7.710 0.02 . 1 . . . A 117 VAL H . 25652 1 853 . 1 1 77 77 VAL HA H 1 4.154 0.02 . 1 . . . A 117 VAL HA . 25652 1 854 . 1 1 77 77 VAL HB H 1 1.598 0.02 . 1 . . . A 117 VAL HB . 25652 1 855 . 1 1 77 77 VAL HG11 H 1 0.585 0.02 . 2 . . . A 117 VAL HG11 . 25652 1 856 . 1 1 77 77 VAL HG12 H 1 0.585 0.02 . 2 . . . A 117 VAL HG12 . 25652 1 857 . 1 1 77 77 VAL HG13 H 1 0.585 0.02 . 2 . . . A 117 VAL HG13 . 25652 1 858 . 1 1 77 77 VAL HG21 H 1 0.861 0.02 . 2 . . . A 117 VAL HG21 . 25652 1 859 . 1 1 77 77 VAL HG22 H 1 0.861 0.02 . 2 . . . A 117 VAL HG22 . 25652 1 860 . 1 1 77 77 VAL HG23 H 1 0.861 0.02 . 2 . . . A 117 VAL HG23 . 25652 1 861 . 1 1 77 77 VAL CA C 13 61.222 0.40 . 1 . . . A 117 VAL CA . 25652 1 862 . 1 1 77 77 VAL CB C 13 33.310 0.40 . 1 . . . A 117 VAL CB . 25652 1 863 . 1 1 77 77 VAL CG1 C 13 20.407 0.40 . 1 . . . A 117 VAL CG1 . 25652 1 864 . 1 1 77 77 VAL CG2 C 13 20.949 0.40 . 1 . . . A 117 VAL CG2 . 25652 1 865 . 1 1 77 77 VAL N N 15 123.276 0.40 . 1 . . . A 117 VAL N . 25652 1 866 . 1 1 78 78 THR H H 1 8.060 0.02 . 1 . . . A 118 THR H . 25652 1 867 . 1 1 78 78 THR HA H 1 4.572 0.02 . 1 . . . A 118 THR HA . 25652 1 868 . 1 1 78 78 THR HB H 1 4.014 0.02 . 1 . . . A 118 THR HB . 25652 1 869 . 1 1 78 78 THR HG21 H 1 1.079 0.02 . 1 . . . A 118 THR HG21 . 25652 1 870 . 1 1 78 78 THR HG22 H 1 1.079 0.02 . 1 . . . A 118 THR HG22 . 25652 1 871 . 1 1 78 78 THR HG23 H 1 1.079 0.02 . 1 . . . A 118 THR HG23 . 25652 1 872 . 1 1 78 78 THR CA C 13 60.999 0.40 . 1 . . . A 118 THR CA . 25652 1 873 . 1 1 78 78 THR CB C 13 70.259 0.40 . 1 . . . A 118 THR CB . 25652 1 874 . 1 1 78 78 THR CG2 C 13 21.365 0.40 . 1 . . . A 118 THR CG2 . 25652 1 875 . 1 1 78 78 THR N N 15 121.250 0.40 . 1 . . . A 118 THR N . 25652 1 876 . 1 1 79 79 PRO HA H 1 4.550 0.02 . 1 . . . A 119 PRO HA . 25652 1 877 . 1 1 79 79 PRO HB2 H 1 1.309 0.02 . 2 . . . A 119 PRO HB2 . 25652 1 878 . 1 1 79 79 PRO HB3 H 1 1.433 0.02 . 2 . . . A 119 PRO HB3 . 25652 1 879 . 1 1 79 79 PRO HG2 H 1 2.138 0.02 . 2 . . . A 119 PRO HG2 . 25652 1 880 . 1 1 79 79 PRO HG3 H 1 1.510 0.02 . 2 . . . A 119 PRO HG3 . 25652 1 881 . 1 1 79 79 PRO HD2 H 1 4.085 0.02 . 2 . . . A 119 PRO HD2 . 25652 1 882 . 1 1 79 79 PRO HD3 H 1 4.349 0.02 . 2 . . . A 119 PRO HD3 . 25652 1 883 . 1 1 79 79 PRO CA C 13 62.447 0.40 . 1 . . . A 119 PRO CA . 25652 1 884 . 1 1 79 79 PRO CB C 13 30.587 0.40 . 1 . . . A 119 PRO CB . 25652 1 885 . 1 1 79 79 PRO CG C 13 26.514 0.40 . 1 . . . A 119 PRO CG . 25652 1 886 . 1 1 79 79 PRO CD C 13 50.828 0.40 . 1 . . . A 119 PRO CD . 25652 1 887 . 1 1 80 80 VAL H H 1 7.678 0.02 . 1 . . . A 120 VAL H . 25652 1 888 . 1 1 80 80 VAL HA H 1 4.792 0.02 . 1 . . . A 120 VAL HA . 25652 1 889 . 1 1 80 80 VAL HB H 1 1.659 0.02 . 1 . . . A 120 VAL HB . 25652 1 890 . 1 1 80 80 VAL HG11 H 1 0.640 0.02 . 2 . . . A 120 VAL HG11 . 25652 1 891 . 1 1 80 80 VAL HG12 H 1 0.640 0.02 . 2 . . . A 120 VAL HG12 . 25652 1 892 . 1 1 80 80 VAL HG13 H 1 0.640 0.02 . 2 . . . A 120 VAL HG13 . 25652 1 893 . 1 1 80 80 VAL HG21 H 1 0.782 0.02 . 2 . . . A 120 VAL HG21 . 25652 1 894 . 1 1 80 80 VAL HG22 H 1 0.782 0.02 . 2 . . . A 120 VAL HG22 . 25652 1 895 . 1 1 80 80 VAL HG23 H 1 0.782 0.02 . 2 . . . A 120 VAL HG23 . 25652 1 896 . 1 1 80 80 VAL CA C 13 59.893 0.40 . 1 . . . A 120 VAL CA . 25652 1 897 . 1 1 80 80 VAL CB C 13 36.046 0.40 . 1 . . . A 120 VAL CB . 25652 1 898 . 1 1 80 80 VAL CG1 C 13 21.114 0.40 . 1 . . . A 120 VAL CG1 . 25652 1 899 . 1 1 80 80 VAL CG2 C 13 20.173 0.40 . 1 . . . A 120 VAL CG2 . 25652 1 900 . 1 1 80 80 VAL N N 15 117.709 0.40 . 1 . . . A 120 VAL N . 25652 1 901 . 1 1 81 81 LEU H H 1 8.483 0.02 . 1 . . . A 121 LEU H . 25652 1 902 . 1 1 81 81 LEU HA H 1 4.614 0.02 . 1 . . . A 121 LEU HA . 25652 1 903 . 1 1 81 81 LEU HB2 H 1 1.295 0.02 . 2 . . . A 121 LEU HB2 . 25652 1 904 . 1 1 81 81 LEU HB3 H 1 1.354 0.02 . 2 . . . A 121 LEU HB3 . 25652 1 905 . 1 1 81 81 LEU HG H 1 1.526 0.02 . 1 . . . A 121 LEU HG . 25652 1 906 . 1 1 81 81 LEU HD11 H 1 0.887 0.02 . 2 . . . A 121 LEU HD11 . 25652 1 907 . 1 1 81 81 LEU HD12 H 1 0.887 0.02 . 2 . . . A 121 LEU HD12 . 25652 1 908 . 1 1 81 81 LEU HD13 H 1 0.887 0.02 . 2 . . . A 121 LEU HD13 . 25652 1 909 . 1 1 81 81 LEU HD21 H 1 0.796 0.02 . 2 . . . A 121 LEU HD21 . 25652 1 910 . 1 1 81 81 LEU HD22 H 1 0.796 0.02 . 2 . . . A 121 LEU HD22 . 25652 1 911 . 1 1 81 81 LEU HD23 H 1 0.796 0.02 . 2 . . . A 121 LEU HD23 . 25652 1 912 . 1 1 81 81 LEU CA C 13 54.193 0.40 . 1 . . . A 121 LEU CA . 25652 1 913 . 1 1 81 81 LEU CB C 13 46.727 0.40 . 1 . . . A 121 LEU CB . 25652 1 914 . 1 1 81 81 LEU CG C 13 27.524 0.40 . 1 . . . A 121 LEU CG . 25652 1 915 . 1 1 81 81 LEU CD1 C 13 24.537 0.40 . 1 . . . A 121 LEU CD1 . 25652 1 916 . 1 1 81 81 LEU CD2 C 13 25.930 0.40 . 1 . . . A 121 LEU CD2 . 25652 1 917 . 1 1 81 81 LEU N N 15 123.961 0.40 . 1 . . . A 121 LEU N . 25652 1 918 . 1 1 82 82 ARG H H 1 9.418 0.02 . 1 . . . A 122 ARG H . 25652 1 919 . 1 1 82 82 ARG HA H 1 3.911 0.02 . 1 . . . A 122 ARG HA . 25652 1 920 . 1 1 82 82 ARG HB2 H 1 1.553 0.02 . 2 . . . A 122 ARG HB2 . 25652 1 921 . 1 1 82 82 ARG HB3 H 1 1.553 0.02 . 2 . . . A 122 ARG HB3 . 25652 1 922 . 1 1 82 82 ARG HD2 H 1 3.242 0.02 . 2 . . . A 122 ARG HD2 . 25652 1 923 . 1 1 82 82 ARG HD3 H 1 3.033 0.02 . 2 . . . A 122 ARG HD3 . 25652 1 924 . 1 1 82 82 ARG HE H 1 8.899 0.02 . 1 . . . A 122 ARG HE . 25652 1 925 . 1 1 82 82 ARG CA C 13 56.814 0.40 . 1 . . . A 122 ARG CA . 25652 1 926 . 1 1 82 82 ARG CB C 13 27.992 0.40 . 1 . . . A 122 ARG CB . 25652 1 927 . 1 1 82 82 ARG CD C 13 43.892 0.40 . 1 . . . A 122 ARG CD . 25652 1 928 . 1 1 82 82 ARG N N 15 121.964 0.40 . 1 . . . A 122 ARG N . 25652 1 929 . 1 1 82 82 ARG NE N 15 86.364 0.40 . 1 . . . A 122 ARG NE . 25652 1 930 . 1 1 83 83 GLY H H 1 8.303 0.02 . 1 . . . A 123 GLY H . 25652 1 931 . 1 1 83 83 GLY HA2 H 1 4.162 0.02 . 2 . . . A 123 GLY HA2 . 25652 1 932 . 1 1 83 83 GLY HA3 H 1 3.532 0.02 . 2 . . . A 123 GLY HA3 . 25652 1 933 . 1 1 83 83 GLY CA C 13 45.564 0.40 . 1 . . . A 123 GLY CA . 25652 1 934 . 1 1 83 83 GLY N N 15 102.866 0.40 . 1 . . . A 123 GLY N . 25652 1 935 . 1 1 84 84 GLN H H 1 8.005 0.02 . 1 . . . A 124 GLN H . 25652 1 936 . 1 1 84 84 GLN HA H 1 4.998 0.02 . 1 . . . A 124 GLN HA . 25652 1 937 . 1 1 84 84 GLN HB2 H 1 2.038 0.02 . 2 . . . A 124 GLN HB2 . 25652 1 938 . 1 1 84 84 GLN HB3 H 1 2.224 0.02 . 2 . . . A 124 GLN HB3 . 25652 1 939 . 1 1 84 84 GLN HG2 H 1 2.389 0.02 . 2 . . . A 124 GLN HG2 . 25652 1 940 . 1 1 84 84 GLN HG3 H 1 2.389 0.02 . 2 . . . A 124 GLN HG3 . 25652 1 941 . 1 1 84 84 GLN HE21 H 1 6.879 0.02 . 2 . . . A 124 GLN HE21 . 25652 1 942 . 1 1 84 84 GLN HE22 H 1 7.569 0.02 . 2 . . . A 124 GLN HE22 . 25652 1 943 . 1 1 84 84 GLN CA C 13 52.147 0.40 . 1 . . . A 124 GLN CA . 25652 1 944 . 1 1 84 84 GLN CB C 13 30.878 0.40 . 1 . . . A 124 GLN CB . 25652 1 945 . 1 1 84 84 GLN CG C 13 33.391 0.40 . 1 . . . A 124 GLN CG . 25652 1 946 . 1 1 84 84 GLN N N 15 122.073 0.40 . 1 . . . A 124 GLN N . 25652 1 947 . 1 1 84 84 GLN NE2 N 15 112.968 0.40 . 1 . . . A 124 GLN NE2 . 25652 1 948 . 1 1 85 85 PRO HA H 1 4.862 0.02 . 1 . . . A 125 PRO HA . 25652 1 949 . 1 1 85 85 PRO HB2 H 1 1.780 0.02 . 2 . . . A 125 PRO HB2 . 25652 1 950 . 1 1 85 85 PRO HB3 H 1 2.117 0.02 . 2 . . . A 125 PRO HB3 . 25652 1 951 . 1 1 85 85 PRO HG2 H 1 1.954 0.02 . 2 . . . A 125 PRO HG2 . 25652 1 952 . 1 1 85 85 PRO HG3 H 1 2.149 0.02 . 2 . . . A 125 PRO HG3 . 25652 1 953 . 1 1 85 85 PRO HD2 H 1 3.796 0.02 . 2 . . . A 125 PRO HD2 . 25652 1 954 . 1 1 85 85 PRO HD3 H 1 3.899 0.02 . 2 . . . A 125 PRO HD3 . 25652 1 955 . 1 1 85 85 PRO CA C 13 62.867 0.40 . 1 . . . A 125 PRO CA . 25652 1 956 . 1 1 85 85 PRO CB C 13 32.185 0.40 . 1 . . . A 125 PRO CB . 25652 1 957 . 1 1 85 85 PRO CG C 13 27.536 0.40 . 1 . . . A 125 PRO CG . 25652 1 958 . 1 1 85 85 PRO CD C 13 51.044 0.40 . 1 . . . A 125 PRO CD . 25652 1 959 . 1 1 86 86 ILE H H 1 7.609 0.02 . 1 . . . A 126 ILE H . 25652 1 960 . 1 1 86 86 ILE HA H 1 4.572 0.02 . 1 . . . A 126 ILE HA . 25652 1 961 . 1 1 86 86 ILE HB H 1 1.796 0.02 . 1 . . . A 126 ILE HB . 25652 1 962 . 1 1 86 86 ILE HG12 H 1 1.516 0.02 . 2 . . . A 126 ILE HG12 . 25652 1 963 . 1 1 86 86 ILE HG13 H 1 1.302 0.02 . 2 . . . A 126 ILE HG13 . 25652 1 964 . 1 1 86 86 ILE HG21 H 1 0.859 0.02 . 1 . . . A 126 ILE HG21 . 25652 1 965 . 1 1 86 86 ILE HG22 H 1 0.859 0.02 . 1 . . . A 126 ILE HG22 . 25652 1 966 . 1 1 86 86 ILE HG23 H 1 0.859 0.02 . 1 . . . A 126 ILE HG23 . 25652 1 967 . 1 1 86 86 ILE HD11 H 1 0.555 0.02 . 1 . . . A 126 ILE HD11 . 25652 1 968 . 1 1 86 86 ILE HD12 H 1 0.555 0.02 . 1 . . . A 126 ILE HD12 . 25652 1 969 . 1 1 86 86 ILE HD13 H 1 0.555 0.02 . 1 . . . A 126 ILE HD13 . 25652 1 970 . 1 1 86 86 ILE CA C 13 59.106 0.40 . 1 . . . A 126 ILE CA . 25652 1 971 . 1 1 86 86 ILE CB C 13 39.955 0.40 . 1 . . . A 126 ILE CB . 25652 1 972 . 1 1 86 86 ILE CG1 C 13 28.064 0.40 . 1 . . . A 126 ILE CG1 . 25652 1 973 . 1 1 86 86 ILE CG2 C 13 18.244 0.40 . 1 . . . A 126 ILE CG2 . 25652 1 974 . 1 1 86 86 ILE CD1 C 13 14.798 0.40 . 1 . . . A 126 ILE CD1 . 25652 1 975 . 1 1 86 86 ILE N N 15 116.469 0.40 . 1 . . . A 126 ILE N . 25652 1 976 . 1 1 87 87 TYR H H 1 7.580 0.02 . 1 . . . A 127 TYR H . 25652 1 977 . 1 1 87 87 TYR HA H 1 4.856 0.02 . 1 . . . A 127 TYR HA . 25652 1 978 . 1 1 87 87 TYR HB2 H 1 2.522 0.02 . 2 . . . A 127 TYR HB2 . 25652 1 979 . 1 1 87 87 TYR HB3 H 1 2.806 0.02 . 2 . . . A 127 TYR HB3 . 25652 1 980 . 1 1 87 87 TYR HD1 H 1 6.924 0.02 . 1 . . . A 127 TYR HD1 . 25652 1 981 . 1 1 87 87 TYR HD2 H 1 6.924 0.02 . 1 . . . A 127 TYR HD2 . 25652 1 982 . 1 1 87 87 TYR HE1 H 1 6.723 0.02 . 1 . . . A 127 TYR HE1 . 25652 1 983 . 1 1 87 87 TYR HE2 H 1 6.723 0.02 . 1 . . . A 127 TYR HE2 . 25652 1 984 . 1 1 87 87 TYR CA C 13 56.912 0.40 . 1 . . . A 127 TYR CA . 25652 1 985 . 1 1 87 87 TYR CB C 13 41.047 0.40 . 1 . . . A 127 TYR CB . 25652 1 986 . 1 1 87 87 TYR CD2 C 13 132.867 0.40 . 1 . . . A 127 TYR CD2 . 25652 1 987 . 1 1 87 87 TYR CE2 C 13 117.951 0.40 . 1 . . . A 127 TYR CE2 . 25652 1 988 . 1 1 87 87 TYR N N 15 117.550 0.40 . 1 . . . A 127 TYR N . 25652 1 989 . 1 1 88 88 ILE H H 1 8.358 0.02 . 1 . . . A 128 ILE H . 25652 1 990 . 1 1 88 88 ILE HA H 1 4.807 0.02 . 1 . . . A 128 ILE HA . 25652 1 991 . 1 1 88 88 ILE HB H 1 1.542 0.02 . 1 . . . A 128 ILE HB . 25652 1 992 . 1 1 88 88 ILE HG12 H 1 0.858 0.02 . 2 . . . A 128 ILE HG12 . 25652 1 993 . 1 1 88 88 ILE HG13 H 1 1.272 0.02 . 2 . . . A 128 ILE HG13 . 25652 1 994 . 1 1 88 88 ILE HG21 H 1 0.659 0.02 . 1 . . . A 128 ILE HG21 . 25652 1 995 . 1 1 88 88 ILE HG22 H 1 0.659 0.02 . 1 . . . A 128 ILE HG22 . 25652 1 996 . 1 1 88 88 ILE HG23 H 1 0.659 0.02 . 1 . . . A 128 ILE HG23 . 25652 1 997 . 1 1 88 88 ILE HD11 H 1 0.468 0.02 . 1 . . . A 128 ILE HD11 . 25652 1 998 . 1 1 88 88 ILE HD12 H 1 0.468 0.02 . 1 . . . A 128 ILE HD12 . 25652 1 999 . 1 1 88 88 ILE HD13 H 1 0.468 0.02 . 1 . . . A 128 ILE HD13 . 25652 1 1000 . 1 1 88 88 ILE CA C 13 59.873 0.40 . 1 . . . A 128 ILE CA . 25652 1 1001 . 1 1 88 88 ILE CB C 13 40.955 0.40 . 1 . . . A 128 ILE CB . 25652 1 1002 . 1 1 88 88 ILE CG1 C 13 27.956 0.40 . 1 . . . A 128 ILE CG1 . 25652 1 1003 . 1 1 88 88 ILE CG2 C 13 18.167 0.40 . 1 . . . A 128 ILE CG2 . 25652 1 1004 . 1 1 88 88 ILE CD1 C 13 14.819 0.40 . 1 . . . A 128 ILE CD1 . 25652 1 1005 . 1 1 88 88 ILE N N 15 122.996 0.40 . 1 . . . A 128 ILE N . 25652 1 1006 . 1 1 89 89 GLN HA H 1 4.633 0.02 . 1 . . . A 129 GLN HA . 25652 1 1007 . 1 1 89 89 GLN CA C 13 54.028 0.40 . 1 . . . A 129 GLN CA . 25652 1 1008 . 1 1 90 90 PHE H H 1 8.854 0.02 . 1 . . . A 130 PHE H . 25652 1 1009 . 1 1 90 90 PHE HA H 1 4.729 0.02 . 1 . . . A 130 PHE HA . 25652 1 1010 . 1 1 90 90 PHE HB2 H 1 2.909 0.02 . 2 . . . A 130 PHE HB2 . 25652 1 1011 . 1 1 90 90 PHE HB3 H 1 3.288 0.02 . 2 . . . A 130 PHE HB3 . 25652 1 1012 . 1 1 90 90 PHE HD1 H 1 7.454 0.02 . 1 . . . A 130 PHE HD1 . 25652 1 1013 . 1 1 90 90 PHE HD2 H 1 7.454 0.02 . 1 . . . A 130 PHE HD2 . 25652 1 1014 . 1 1 90 90 PHE HE1 H 1 7.407 0.02 . 1 . . . A 130 PHE HE1 . 25652 1 1015 . 1 1 90 90 PHE HE2 H 1 7.407 0.02 . 1 . . . A 130 PHE HE2 . 25652 1 1016 . 1 1 90 90 PHE HZ H 1 7.626 0.02 . 1 . . . A 130 PHE HZ . 25652 1 1017 . 1 1 90 90 PHE CA C 13 60.078 0.40 . 1 . . . A 130 PHE CA . 25652 1 1018 . 1 1 90 90 PHE CB C 13 39.959 0.40 . 1 . . . A 130 PHE CB . 25652 1 1019 . 1 1 90 90 PHE CD1 C 13 132.153 0.40 . 1 . . . A 130 PHE CD1 . 25652 1 1020 . 1 1 90 90 PHE CE1 C 13 131.938 0.40 . 1 . . . A 130 PHE CE1 . 25652 1 1021 . 1 1 90 90 PHE CZ C 13 130.565 0.40 . 1 . . . A 130 PHE CZ . 25652 1 1022 . 1 1 90 90 PHE N N 15 119.970 0.40 . 1 . . . A 130 PHE N . 25652 1 1023 . 1 1 91 91 SER H H 1 9.125 0.02 . 1 . . . A 131 SER H . 25652 1 1024 . 1 1 91 91 SER HA H 1 4.665 0.02 . 1 . . . A 131 SER HA . 25652 1 1025 . 1 1 91 91 SER HB2 H 1 4.073 0.02 . 2 . . . A 131 SER HB2 . 25652 1 1026 . 1 1 91 91 SER HB3 H 1 4.073 0.02 . 2 . . . A 131 SER HB3 . 25652 1 1027 . 1 1 91 91 SER CA C 13 55.140 0.40 . 1 . . . A 131 SER CA . 25652 1 1028 . 1 1 91 91 SER N N 15 116.736 0.40 . 1 . . . A 131 SER N . 25652 1 1029 . 1 1 92 92 ASN H H 1 8.756 0.02 . 1 . . . A 132 ASN H . 25652 1 1030 . 1 1 92 92 ASN HA H 1 4.565 0.02 . 1 . . . A 132 ASN HA . 25652 1 1031 . 1 1 92 92 ASN HB2 H 1 2.640 0.02 . 2 . . . A 132 ASN HB2 . 25652 1 1032 . 1 1 92 92 ASN HB3 H 1 2.640 0.02 . 2 . . . A 132 ASN HB3 . 25652 1 1033 . 1 1 92 92 ASN CB C 13 38.317 0.40 . 1 . . . A 132 ASN CB . 25652 1 1034 . 1 1 92 92 ASN N N 15 123.064 0.40 . 1 . . . A 132 ASN N . 25652 1 1035 . 1 1 93 93 HIS H H 1 8.692 0.02 . 1 . . . A 133 HIS H . 25652 1 1036 . 1 1 93 93 HIS HA H 1 4.416 0.02 . 1 . . . A 133 HIS HA . 25652 1 1037 . 1 1 93 93 HIS HB2 H 1 2.982 0.02 . 2 . . . A 133 HIS HB2 . 25652 1 1038 . 1 1 93 93 HIS HB3 H 1 2.982 0.02 . 2 . . . A 133 HIS HB3 . 25652 1 1039 . 1 1 93 93 HIS HD2 H 1 7.046 0.02 . 1 . . . A 133 HIS HD2 . 25652 1 1040 . 1 1 93 93 HIS HE1 H 1 7.947 0.02 . 1 . . . A 133 HIS HE1 . 25652 1 1041 . 1 1 93 93 HIS CB C 13 29.742 0.40 . 1 . . . A 133 HIS CB . 25652 1 1042 . 1 1 93 93 HIS CD2 C 13 119.148 0.40 . 1 . . . A 133 HIS CD2 . 25652 1 1043 . 1 1 93 93 HIS CE1 C 13 138.077 0.40 . 1 . . . A 133 HIS CE1 . 25652 1 1044 . 1 1 94 94 LYS H H 1 8.768 0.02 . 1 . . . A 134 LYS H . 25652 1 1045 . 1 1 94 94 LYS HA H 1 4.469 0.02 . 1 . . . A 134 LYS HA . 25652 1 1046 . 1 1 94 94 LYS HB2 H 1 2.003 0.02 . 2 . . . A 134 LYS HB2 . 25652 1 1047 . 1 1 94 94 LYS HB3 H 1 1.860 0.02 . 2 . . . A 134 LYS HB3 . 25652 1 1048 . 1 1 94 94 LYS HG2 H 1 1.519 0.02 . 2 . . . A 134 LYS HG2 . 25652 1 1049 . 1 1 94 94 LYS HG3 H 1 1.579 0.02 . 2 . . . A 134 LYS HG3 . 25652 1 1050 . 1 1 94 94 LYS HD2 H 1 1.724 0.02 . 2 . . . A 134 LYS HD2 . 25652 1 1051 . 1 1 94 94 LYS HD3 H 1 1.724 0.02 . 2 . . . A 134 LYS HD3 . 25652 1 1052 . 1 1 94 94 LYS HE2 H 1 3.030 0.02 . 2 . . . A 134 LYS HE2 . 25652 1 1053 . 1 1 94 94 LYS HE3 H 1 3.030 0.02 . 2 . . . A 134 LYS HE3 . 25652 1 1054 . 1 1 94 94 LYS CA C 13 56.623 0.40 . 1 . . . A 134 LYS CA . 25652 1 1055 . 1 1 94 94 LYS CB C 13 33.037 0.40 . 1 . . . A 134 LYS CB . 25652 1 1056 . 1 1 94 94 LYS CG C 13 24.838 0.40 . 1 . . . A 134 LYS CG . 25652 1 1057 . 1 1 94 94 LYS CD C 13 28.783 0.40 . 1 . . . A 134 LYS CD . 25652 1 1058 . 1 1 94 94 LYS CE C 13 42.191 0.40 . 1 . . . A 134 LYS CE . 25652 1 1059 . 1 1 94 94 LYS N N 15 121.215 0.40 . 1 . . . A 134 LYS N . 25652 1 1060 . 1 1 95 95 GLU H H 1 7.691 0.02 . 1 . . . A 135 GLU H . 25652 1 1061 . 1 1 95 95 GLU HA H 1 4.308 0.02 . 1 . . . A 135 GLU HA . 25652 1 1062 . 1 1 95 95 GLU HB2 H 1 2.054 0.02 . 2 . . . A 135 GLU HB2 . 25652 1 1063 . 1 1 95 95 GLU HB3 H 1 1.912 0.02 . 2 . . . A 135 GLU HB3 . 25652 1 1064 . 1 1 95 95 GLU HG2 H 1 2.085 0.02 . 2 . . . A 135 GLU HG2 . 25652 1 1065 . 1 1 95 95 GLU HG3 H 1 2.085 0.02 . 2 . . . A 135 GLU HG3 . 25652 1 1066 . 1 1 95 95 GLU CA C 13 54.859 0.40 . 1 . . . A 135 GLU CA . 25652 1 1067 . 1 1 95 95 GLU CB C 13 32.466 0.40 . 1 . . . A 135 GLU CB . 25652 1 1068 . 1 1 95 95 GLU CG C 13 35.436 0.40 . 1 . . . A 135 GLU CG . 25652 1 1069 . 1 1 95 95 GLU N N 15 114.817 0.40 . 1 . . . A 135 GLU N . 25652 1 1070 . 1 1 96 96 LEU H H 1 8.687 0.02 . 1 . . . A 136 LEU H . 25652 1 1071 . 1 1 96 96 LEU HA H 1 4.625 0.02 . 1 . . . A 136 LEU HA . 25652 1 1072 . 1 1 96 96 LEU HB2 H 1 1.317 0.02 . 2 . . . A 136 LEU HB2 . 25652 1 1073 . 1 1 96 96 LEU HB3 H 1 1.317 0.02 . 2 . . . A 136 LEU HB3 . 25652 1 1074 . 1 1 96 96 LEU HG H 1 1.313 0.02 . 1 . . . A 136 LEU HG . 25652 1 1075 . 1 1 96 96 LEU HD11 H 1 0.434 0.02 . 2 . . . A 136 LEU HD11 . 25652 1 1076 . 1 1 96 96 LEU HD12 H 1 0.434 0.02 . 2 . . . A 136 LEU HD12 . 25652 1 1077 . 1 1 96 96 LEU HD13 H 1 0.434 0.02 . 2 . . . A 136 LEU HD13 . 25652 1 1078 . 1 1 96 96 LEU HD21 H 1 0.454 0.02 . 2 . . . A 136 LEU HD21 . 25652 1 1079 . 1 1 96 96 LEU HD22 H 1 0.454 0.02 . 2 . . . A 136 LEU HD22 . 25652 1 1080 . 1 1 96 96 LEU HD23 H 1 0.454 0.02 . 2 . . . A 136 LEU HD23 . 25652 1 1081 . 1 1 96 96 LEU CA C 13 53.906 0.40 . 1 . . . A 136 LEU CA . 25652 1 1082 . 1 1 96 96 LEU CB C 13 43.531 0.40 . 1 . . . A 136 LEU CB . 25652 1 1083 . 1 1 96 96 LEU CG C 13 27.026 0.40 . 1 . . . A 136 LEU CG . 25652 1 1084 . 1 1 96 96 LEU CD1 C 13 24.125 0.40 . 1 . . . A 136 LEU CD1 . 25652 1 1085 . 1 1 96 96 LEU CD2 C 13 24.685 0.40 . 1 . . . A 136 LEU CD2 . 25652 1 1086 . 1 1 96 96 LEU N N 15 122.603 0.40 . 1 . . . A 136 LEU N . 25652 1 1087 . 1 1 97 97 LYS H H 1 9.159 0.02 . 1 . . . A 137 LYS H . 25652 1 1088 . 1 1 97 97 LYS HA H 1 4.553 0.02 . 1 . . . A 137 LYS HA . 25652 1 1089 . 1 1 97 97 LYS HB2 H 1 1.863 0.02 . 2 . . . A 137 LYS HB2 . 25652 1 1090 . 1 1 97 97 LYS HB3 H 1 1.722 0.02 . 2 . . . A 137 LYS HB3 . 25652 1 1091 . 1 1 97 97 LYS HG2 H 1 1.333 0.02 . 2 . . . A 137 LYS HG2 . 25652 1 1092 . 1 1 97 97 LYS HG3 H 1 1.439 0.02 . 2 . . . A 137 LYS HG3 . 25652 1 1093 . 1 1 97 97 LYS HD2 H 1 1.683 0.02 . 2 . . . A 137 LYS HD2 . 25652 1 1094 . 1 1 97 97 LYS HD3 H 1 1.683 0.02 . 2 . . . A 137 LYS HD3 . 25652 1 1095 . 1 1 97 97 LYS HE2 H 1 3.013 0.02 . 2 . . . A 137 LYS HE2 . 25652 1 1096 . 1 1 97 97 LYS HE3 H 1 3.013 0.02 . 2 . . . A 137 LYS HE3 . 25652 1 1097 . 1 1 97 97 LYS CB C 13 33.109 0.40 . 1 . . . A 137 LYS CB . 25652 1 1098 . 1 1 97 97 LYS CG C 13 24.663 0.40 . 1 . . . A 137 LYS CG . 25652 1 1099 . 1 1 97 97 LYS CD C 13 29.450 0.40 . 1 . . . A 137 LYS CD . 25652 1 1100 . 1 1 97 97 LYS CE C 13 42.406 0.40 . 1 . . . A 137 LYS CE . 25652 1 1101 . 1 1 97 97 LYS N N 15 126.409 0.40 . 1 . . . A 137 LYS N . 25652 1 1102 . 1 1 98 98 THR H H 1 8.675 0.02 . 1 . . . A 138 THR H . 25652 1 1103 . 1 1 98 98 THR HA H 1 4.788 0.02 . 1 . . . A 138 THR HA . 25652 1 1104 . 1 1 98 98 THR HB H 1 4.517 0.02 . 1 . . . A 138 THR HB . 25652 1 1105 . 1 1 98 98 THR HG21 H 1 1.056 0.02 . 1 . . . A 138 THR HG21 . 25652 1 1106 . 1 1 98 98 THR HG22 H 1 1.056 0.02 . 1 . . . A 138 THR HG22 . 25652 1 1107 . 1 1 98 98 THR HG23 H 1 1.056 0.02 . 1 . . . A 138 THR HG23 . 25652 1 1108 . 1 1 98 98 THR CA C 13 60.386 0.40 . 1 . . . A 138 THR CA . 25652 1 1109 . 1 1 98 98 THR CB C 13 70.443 0.40 . 1 . . . A 138 THR CB . 25652 1 1110 . 1 1 98 98 THR CG2 C 13 21.784 0.40 . 1 . . . A 138 THR CG2 . 25652 1 1111 . 1 1 99 99 ASP H H 1 8.405 0.02 . 1 . . . A 139 ASP H . 25652 1 1112 . 1 1 99 99 ASP HA H 1 4.670 0.02 . 1 . . . A 139 ASP HA . 25652 1 1113 . 1 1 99 99 ASP HB2 H 1 2.755 0.02 . 2 . . . A 139 ASP HB2 . 25652 1 1114 . 1 1 99 99 ASP HB3 H 1 2.805 0.02 . 2 . . . A 139 ASP HB3 . 25652 1 1115 . 1 1 99 99 ASP CA C 13 54.715 0.40 . 1 . . . A 139 ASP CA . 25652 1 1116 . 1 1 99 99 ASP CB C 13 41.346 0.40 . 1 . . . A 139 ASP CB . 25652 1 1117 . 1 1 99 99 ASP N N 15 122.044 0.40 . 1 . . . A 139 ASP N . 25652 1 1118 . 1 1 100 100 SER H H 1 8.279 0.02 . 1 . . . A 140 SER H . 25652 1 1119 . 1 1 100 100 SER HA H 1 4.489 0.02 . 1 . . . A 140 SER HA . 25652 1 1120 . 1 1 100 100 SER HB2 H 1 3.940 0.02 . 2 . . . A 140 SER HB2 . 25652 1 1121 . 1 1 100 100 SER HB3 H 1 3.960 0.02 . 2 . . . A 140 SER HB3 . 25652 1 1122 . 1 1 100 100 SER CA C 13 58.300 0.40 . 1 . . . A 140 SER CA . 25652 1 1123 . 1 1 100 100 SER CB C 13 63.512 0.40 . 1 . . . A 140 SER CB . 25652 1 1124 . 1 1 100 100 SER N N 15 114.360 0.40 . 1 . . . A 140 SER N . 25652 1 1125 . 1 1 101 101 SER H H 1 8.106 0.02 . 1 . . . A 141 SER H . 25652 1 1126 . 1 1 101 101 SER HA H 1 4.500 0.02 . 1 . . . A 141 SER HA . 25652 1 1127 . 1 1 101 101 SER HB2 H 1 4.011 0.02 . 2 . . . A 141 SER HB2 . 25652 1 1128 . 1 1 101 101 SER HB3 H 1 4.042 0.02 . 2 . . . A 141 SER HB3 . 25652 1 1129 . 1 1 101 101 SER CA C 13 58.710 0.40 . 1 . . . A 141 SER CA . 25652 1 1130 . 1 1 101 101 SER CB C 13 63.828 0.40 . 1 . . . A 141 SER CB . 25652 1 1131 . 1 1 101 101 SER N N 15 115.696 0.40 . 1 . . . A 141 SER N . 25652 1 1132 . 1 1 102 102 PRO HA H 1 4.543 0.02 . 1 . . . A 142 PRO HA . 25652 1 1133 . 1 1 102 102 PRO HB2 H 1 2.074 0.02 . 2 . . . A 142 PRO HB2 . 25652 1 1134 . 1 1 102 102 PRO HB3 H 1 2.429 0.02 . 2 . . . A 142 PRO HB3 . 25652 1 1135 . 1 1 102 102 PRO HG2 H 1 2.143 0.02 . 2 . . . A 142 PRO HG2 . 25652 1 1136 . 1 1 102 102 PRO HG3 H 1 2.083 0.02 . 2 . . . A 142 PRO HG3 . 25652 1 1137 . 1 1 102 102 PRO HD2 H 1 3.891 0.02 . 2 . . . A 142 PRO HD2 . 25652 1 1138 . 1 1 102 102 PRO HD3 H 1 3.924 0.02 . 2 . . . A 142 PRO HD3 . 25652 1 1139 . 1 1 102 102 PRO CA C 13 64.847 0.40 . 1 . . . A 142 PRO CA . 25652 1 1140 . 1 1 102 102 PRO CB C 13 32.064 0.40 . 1 . . . A 142 PRO CB . 25652 1 1141 . 1 1 102 102 PRO CG C 13 27.524 0.40 . 1 . . . A 142 PRO CG . 25652 1 1142 . 1 1 102 102 PRO CD C 13 50.895 0.40 . 1 . . . A 142 PRO CD . 25652 1 1143 . 1 1 103 103 ASN H H 1 8.381 0.02 . 1 . . . A 143 ASN H . 25652 1 1144 . 1 1 103 103 ASN HA H 1 4.681 0.02 . 1 . . . A 143 ASN HA . 25652 1 1145 . 1 1 103 103 ASN HB2 H 1 2.995 0.02 . 2 . . . A 143 ASN HB2 . 25652 1 1146 . 1 1 103 103 ASN HB3 H 1 2.894 0.02 . 2 . . . A 143 ASN HB3 . 25652 1 1147 . 1 1 103 103 ASN HD21 H 1 7.753 0.02 . 2 . . . A 143 ASN HD21 . 25652 1 1148 . 1 1 103 103 ASN CA C 13 54.616 0.40 . 1 . . . A 143 ASN CA . 25652 1 1149 . 1 1 103 103 ASN CB C 13 38.645 0.40 . 1 . . . A 143 ASN CB . 25652 1 1150 . 1 1 103 103 ASN N N 15 116.422 0.40 . 1 . . . A 143 ASN N . 25652 1 1151 . 1 1 103 103 ASN ND2 N 15 113.450 0.40 . 1 . . . A 143 ASN ND2 . 25652 1 1152 . 1 1 104 104 GLN H H 1 8.129 0.02 . 1 . . . A 144 GLN H . 25652 1 1153 . 1 1 104 104 GLN HA H 1 4.402 0.02 . 1 . . . A 144 GLN HA . 25652 1 1154 . 1 1 104 104 GLN HB2 H 1 2.214 0.02 . 2 . . . A 144 GLN HB2 . 25652 1 1155 . 1 1 104 104 GLN HB3 H 1 2.314 0.02 . 2 . . . A 144 GLN HB3 . 25652 1 1156 . 1 1 104 104 GLN HG2 H 1 2.559 0.02 . 2 . . . A 144 GLN HG2 . 25652 1 1157 . 1 1 104 104 GLN HG3 H 1 2.590 0.02 . 2 . . . A 144 GLN HG3 . 25652 1 1158 . 1 1 104 104 GLN HE21 H 1 7.237 0.02 . 2 . . . A 144 GLN HE21 . 25652 1 1159 . 1 1 104 104 GLN HE22 H 1 7.624 0.02 . 2 . . . A 144 GLN HE22 . 25652 1 1160 . 1 1 104 104 GLN CA C 13 57.559 0.40 . 1 . . . A 144 GLN CA . 25652 1 1161 . 1 1 104 104 GLN CB C 13 28.900 0.40 . 1 . . . A 144 GLN CB . 25652 1 1162 . 1 1 104 104 GLN CG C 13 34.066 0.40 . 1 . . . A 144 GLN CG . 25652 1 1163 . 1 1 104 104 GLN N N 15 121.280 0.40 . 1 . . . A 144 GLN N . 25652 1 1164 . 1 1 104 104 GLN NE2 N 15 112.463 0.40 . 1 . . . A 144 GLN NE2 . 25652 1 1165 . 1 1 105 105 ALA H H 1 8.333 0.02 . 1 . . . A 145 ALA H . 25652 1 1166 . 1 1 105 105 ALA HA H 1 4.277 0.02 . 1 . . . A 145 ALA HA . 25652 1 1167 . 1 1 105 105 ALA HB1 H 1 1.542 0.02 . 1 . . . A 145 ALA HB1 . 25652 1 1168 . 1 1 105 105 ALA HB2 H 1 1.542 0.02 . 1 . . . A 145 ALA HB2 . 25652 1 1169 . 1 1 105 105 ALA HB3 H 1 1.542 0.02 . 1 . . . A 145 ALA HB3 . 25652 1 1170 . 1 1 105 105 ALA CA C 13 55.183 0.40 . 1 . . . A 145 ALA CA . 25652 1 1171 . 1 1 105 105 ALA CB C 13 18.350 0.40 . 1 . . . A 145 ALA CB . 25652 1 1172 . 1 1 105 105 ALA N N 15 123.393 0.40 . 1 . . . A 145 ALA N . 25652 1 1173 . 1 1 106 106 ARG H H 1 8.039 0.02 . 1 . . . A 146 ARG H . 25652 1 1174 . 1 1 106 106 ARG HA H 1 4.246 0.02 . 1 . . . A 146 ARG HA . 25652 1 1175 . 1 1 106 106 ARG HB2 H 1 1.922 0.02 . 2 . . . A 146 ARG HB2 . 25652 1 1176 . 1 1 106 106 ARG HB3 H 1 1.922 0.02 . 2 . . . A 146 ARG HB3 . 25652 1 1177 . 1 1 106 106 ARG HG2 H 1 1.826 0.02 . 2 . . . A 146 ARG HG2 . 25652 1 1178 . 1 1 106 106 ARG HG3 H 1 1.672 0.02 . 2 . . . A 146 ARG HG3 . 25652 1 1179 . 1 1 106 106 ARG HD2 H 1 3.327 0.02 . 2 . . . A 146 ARG HD2 . 25652 1 1180 . 1 1 106 106 ARG HD3 H 1 3.327 0.02 . 2 . . . A 146 ARG HD3 . 25652 1 1181 . 1 1 106 106 ARG CA C 13 58.458 0.40 . 1 . . . A 146 ARG CA . 25652 1 1182 . 1 1 106 106 ARG CB C 13 30.577 0.40 . 1 . . . A 146 ARG CB . 25652 1 1183 . 1 1 106 106 ARG CG C 13 27.542 0.40 . 1 . . . A 146 ARG CG . 25652 1 1184 . 1 1 106 106 ARG CD C 13 43.584 0.40 . 1 . . . A 146 ARG CD . 25652 1 1185 . 1 1 106 106 ARG N N 15 118.694 0.40 . 1 . . . A 146 ARG N . 25652 1 1186 . 1 1 107 107 ALA H H 1 7.927 0.02 . 1 . . . A 147 ALA H . 25652 1 1187 . 1 1 107 107 ALA HA H 1 4.115 0.02 . 1 . . . A 147 ALA HA . 25652 1 1188 . 1 1 107 107 ALA HB1 H 1 1.617 0.02 . 1 . . . A 147 ALA HB1 . 25652 1 1189 . 1 1 107 107 ALA HB2 H 1 1.617 0.02 . 1 . . . A 147 ALA HB2 . 25652 1 1190 . 1 1 107 107 ALA HB3 H 1 1.617 0.02 . 1 . . . A 147 ALA HB3 . 25652 1 1191 . 1 1 107 107 ALA CA C 13 55.076 0.40 . 1 . . . A 147 ALA CA . 25652 1 1192 . 1 1 107 107 ALA CB C 13 18.646 0.40 . 1 . . . A 147 ALA CB . 25652 1 1193 . 1 1 107 107 ALA N N 15 123.975 0.40 . 1 . . . A 147 ALA N . 25652 1 1194 . 1 1 108 108 GLN H H 1 8.468 0.02 . 1 . . . A 148 GLN H . 25652 1 1195 . 1 1 108 108 GLN HA H 1 4.150 0.02 . 1 . . . A 148 GLN HA . 25652 1 1196 . 1 1 108 108 GLN HB2 H 1 2.199 0.02 . 2 . . . A 148 GLN HB2 . 25652 1 1197 . 1 1 108 108 GLN HB3 H 1 2.199 0.02 . 2 . . . A 148 GLN HB3 . 25652 1 1198 . 1 1 108 108 GLN HG2 H 1 2.535 0.02 . 2 . . . A 148 GLN HG2 . 25652 1 1199 . 1 1 108 108 GLN HG3 H 1 2.535 0.02 . 2 . . . A 148 GLN HG3 . 25652 1 1200 . 1 1 108 108 GLN CA C 13 58.152 0.40 . 1 . . . A 148 GLN CA . 25652 1 1201 . 1 1 108 108 GLN CB C 13 28.690 0.40 . 1 . . . A 148 GLN CB . 25652 1 1202 . 1 1 108 108 GLN CG C 13 34.165 0.40 . 1 . . . A 148 GLN CG . 25652 1 1203 . 1 1 108 108 GLN N N 15 117.223 0.40 . 1 . . . A 148 GLN N . 25652 1 1204 . 1 1 109 109 ALA H H 1 8.126 0.02 . 1 . . . A 149 ALA H . 25652 1 1205 . 1 1 109 109 ALA HA H 1 4.261 0.02 . 1 . . . A 149 ALA HA . 25652 1 1206 . 1 1 109 109 ALA HB1 H 1 1.528 0.02 . 1 . . . A 149 ALA HB1 . 25652 1 1207 . 1 1 109 109 ALA HB2 H 1 1.528 0.02 . 1 . . . A 149 ALA HB2 . 25652 1 1208 . 1 1 109 109 ALA HB3 H 1 1.528 0.02 . 1 . . . A 149 ALA HB3 . 25652 1 1209 . 1 1 109 109 ALA CA C 13 54.230 0.40 . 1 . . . A 149 ALA CA . 25652 1 1210 . 1 1 109 109 ALA CB C 13 18.509 0.40 . 1 . . . A 149 ALA CB . 25652 1 1211 . 1 1 109 109 ALA N N 15 122.546 0.40 . 1 . . . A 149 ALA N . 25652 1 1212 . 1 1 110 110 ALA H H 1 7.871 0.02 . 1 . . . A 150 ALA H . 25652 1 1213 . 1 1 110 110 ALA HA H 1 4.273 0.02 . 1 . . . A 150 ALA HA . 25652 1 1214 . 1 1 110 110 ALA HB1 H 1 1.460 0.02 . 1 . . . A 150 ALA HB1 . 25652 1 1215 . 1 1 110 110 ALA HB2 H 1 1.460 0.02 . 1 . . . A 150 ALA HB2 . 25652 1 1216 . 1 1 110 110 ALA HB3 H 1 1.460 0.02 . 1 . . . A 150 ALA HB3 . 25652 1 1217 . 1 1 110 110 ALA CA C 13 54.206 0.40 . 1 . . . A 150 ALA CA . 25652 1 1218 . 1 1 110 110 ALA CB C 13 18.731 0.40 . 1 . . . A 150 ALA CB . 25652 1 1219 . 1 1 110 110 ALA N N 15 122.015 0.40 . 1 . . . A 150 ALA N . 25652 1 1220 . 1 1 111 111 LEU H H 1 8.117 0.02 . 1 . . . A 151 LEU H . 25652 1 1221 . 1 1 111 111 LEU HA H 1 4.164 0.02 . 1 . . . A 151 LEU HA . 25652 1 1222 . 1 1 111 111 LEU HB2 H 1 1.625 0.02 . 2 . . . A 151 LEU HB2 . 25652 1 1223 . 1 1 111 111 LEU HB3 H 1 1.853 0.02 . 2 . . . A 151 LEU HB3 . 25652 1 1224 . 1 1 111 111 LEU HG H 1 1.744 0.02 . 1 . . . A 151 LEU HG . 25652 1 1225 . 1 1 111 111 LEU HD11 H 1 0.811 0.02 . 2 . . . A 151 LEU HD11 . 25652 1 1226 . 1 1 111 111 LEU HD12 H 1 0.811 0.02 . 2 . . . A 151 LEU HD12 . 25652 1 1227 . 1 1 111 111 LEU HD13 H 1 0.811 0.02 . 2 . . . A 151 LEU HD13 . 25652 1 1228 . 1 1 111 111 LEU HD21 H 1 0.929 0.02 . 2 . . . A 151 LEU HD21 . 25652 1 1229 . 1 1 111 111 LEU HD22 H 1 0.929 0.02 . 2 . . . A 151 LEU HD22 . 25652 1 1230 . 1 1 111 111 LEU HD23 H 1 0.929 0.02 . 2 . . . A 151 LEU HD23 . 25652 1 1231 . 1 1 111 111 LEU CA C 13 57.144 0.40 . 1 . . . A 151 LEU CA . 25652 1 1232 . 1 1 111 111 LEU CB C 13 42.148 0.40 . 1 . . . A 151 LEU CB . 25652 1 1233 . 1 1 111 111 LEU CG C 13 26.924 0.40 . 1 . . . A 151 LEU CG . 25652 1 1234 . 1 1 111 111 LEU CD1 C 13 23.823 0.40 . 1 . . . A 151 LEU CD1 . 25652 1 1235 . 1 1 111 111 LEU CD2 C 13 25.487 0.40 . 1 . . . A 151 LEU CD2 . 25652 1 1236 . 1 1 111 111 LEU N N 15 119.651 0.40 . 1 . . . A 151 LEU N . 25652 1 1237 . 1 1 112 112 GLN H H 1 8.149 0.02 . 1 . . . A 152 GLN H . 25652 1 1238 . 1 1 112 112 GLN HA H 1 4.237 0.02 . 1 . . . A 152 GLN HA . 25652 1 1239 . 1 1 112 112 GLN HB2 H 1 2.178 0.02 . 2 . . . A 152 GLN HB2 . 25652 1 1240 . 1 1 112 112 GLN HB3 H 1 2.178 0.02 . 2 . . . A 152 GLN HB3 . 25652 1 1241 . 1 1 112 112 GLN HG2 H 1 2.542 0.02 . 2 . . . A 152 GLN HG2 . 25652 1 1242 . 1 1 112 112 GLN HG3 H 1 2.507 0.02 . 2 . . . A 152 GLN HG3 . 25652 1 1243 . 1 1 112 112 GLN CA C 13 57.487 0.40 . 1 . . . A 152 GLN CA . 25652 1 1244 . 1 1 112 112 GLN CB C 13 28.802 0.40 . 1 . . . A 152 GLN CB . 25652 1 1245 . 1 1 112 112 GLN CG C 13 34.028 0.40 . 1 . . . A 152 GLN CG . 25652 1 1246 . 1 1 112 112 GLN N N 15 118.911 0.40 . 1 . . . A 152 GLN N . 25652 1 1247 . 1 1 113 113 ALA H H 1 7.879 0.02 . 1 . . . A 153 ALA H . 25652 1 1248 . 1 1 113 113 ALA HA H 1 4.295 0.02 . 1 . . . A 153 ALA HA . 25652 1 1249 . 1 1 113 113 ALA HB1 H 1 1.534 0.02 . 1 . . . A 153 ALA HB1 . 25652 1 1250 . 1 1 113 113 ALA HB2 H 1 1.534 0.02 . 1 . . . A 153 ALA HB2 . 25652 1 1251 . 1 1 113 113 ALA HB3 H 1 1.534 0.02 . 1 . . . A 153 ALA HB3 . 25652 1 1252 . 1 1 113 113 ALA CA C 13 53.784 0.40 . 1 . . . A 153 ALA CA . 25652 1 1253 . 1 1 113 113 ALA CB C 13 18.635 0.40 . 1 . . . A 153 ALA CB . 25652 1 1254 . 1 1 113 113 ALA N N 15 122.168 0.40 . 1 . . . A 153 ALA N . 25652 1 1255 . 1 1 114 114 VAL H H 1 7.651 0.02 . 1 . . . A 154 VAL H . 25652 1 1256 . 1 1 114 114 VAL HA H 1 4.172 0.02 . 1 . . . A 154 VAL HA . 25652 1 1257 . 1 1 114 114 VAL HB H 1 2.251 0.02 . 1 . . . A 154 VAL HB . 25652 1 1258 . 1 1 114 114 VAL HG11 H 1 1.034 0.02 . 2 . . . A 154 VAL HG11 . 25652 1 1259 . 1 1 114 114 VAL HG12 H 1 1.034 0.02 . 2 . . . A 154 VAL HG12 . 25652 1 1260 . 1 1 114 114 VAL HG13 H 1 1.034 0.02 . 2 . . . A 154 VAL HG13 . 25652 1 1261 . 1 1 114 114 VAL HG21 H 1 1.091 0.02 . 2 . . . A 154 VAL HG21 . 25652 1 1262 . 1 1 114 114 VAL HG22 H 1 1.091 0.02 . 2 . . . A 154 VAL HG22 . 25652 1 1263 . 1 1 114 114 VAL HG23 H 1 1.091 0.02 . 2 . . . A 154 VAL HG23 . 25652 1 1264 . 1 1 114 114 VAL CA C 13 63.139 0.40 . 1 . . . A 154 VAL CA . 25652 1 1265 . 1 1 114 114 VAL CB C 13 32.383 0.40 . 1 . . . A 154 VAL CB . 25652 1 1266 . 1 1 114 114 VAL CG1 C 13 21.542 0.40 . 1 . . . A 154 VAL CG1 . 25652 1 1267 . 1 1 114 114 VAL CG2 C 13 20.862 0.40 . 1 . . . A 154 VAL CG2 . 25652 1 1268 . 1 1 114 114 VAL N N 15 115.440 0.40 . 1 . . . A 154 VAL N . 25652 1 1269 . 1 1 115 115 ASN H H 1 8.178 0.02 . 1 . . . A 155 ASN H . 25652 1 1270 . 1 1 115 115 ASN HA H 1 4.827 0.02 . 1 . . . A 155 ASN HA . 25652 1 1271 . 1 1 115 115 ASN HB2 H 1 2.861 0.02 . 2 . . . A 155 ASN HB2 . 25652 1 1272 . 1 1 115 115 ASN HB3 H 1 2.917 0.02 . 2 . . . A 155 ASN HB3 . 25652 1 1273 . 1 1 115 115 ASN HD21 H 1 7.544 0.02 . 2 . . . A 155 ASN HD21 . 25652 1 1274 . 1 1 115 115 ASN HD22 H 1 7.019 0.02 . 2 . . . A 155 ASN HD22 . 25652 1 1275 . 1 1 115 115 ASN CA C 13 53.906 0.40 . 1 . . . A 155 ASN CA . 25652 1 1276 . 1 1 115 115 ASN CB C 13 39.085 0.40 . 1 . . . A 155 ASN CB . 25652 1 1277 . 1 1 115 115 ASN N N 15 120.174 0.40 . 1 . . . A 155 ASN N . 25652 1 1278 . 1 1 115 115 ASN ND2 N 15 112.222 0.40 . 1 . . . A 155 ASN ND2 . 25652 1 1279 . 1 1 116 116 SER H H 1 8.276 0.02 . 1 . . . A 156 SER H . 25652 1 1280 . 1 1 116 116 SER HA H 1 4.422 0.02 . 1 . . . A 156 SER HA . 25652 1 1281 . 1 1 116 116 SER HB2 H 1 3.977 0.02 . 2 . . . A 156 SER HB2 . 25652 1 1282 . 1 1 116 116 SER HB3 H 1 3.977 0.02 . 2 . . . A 156 SER HB3 . 25652 1 1283 . 1 1 116 116 SER CA C 13 59.160 0.40 . 1 . . . A 156 SER CA . 25652 1 1284 . 1 1 116 116 SER CB C 13 63.767 0.40 . 1 . . . A 156 SER CB . 25652 1 1285 . 1 1 116 116 SER N N 15 116.109 0.40 . 1 . . . A 156 SER N . 25652 1 1286 . 1 1 117 117 VAL H H 1 7.964 0.02 . 1 . . . A 157 VAL H . 25652 1 1287 . 1 1 117 117 VAL HA H 1 4.185 0.02 . 1 . . . A 157 VAL HA . 25652 1 1288 . 1 1 117 117 VAL HB H 1 2.158 0.02 . 1 . . . A 157 VAL HB . 25652 1 1289 . 1 1 117 117 VAL HG11 H 1 0.986 0.02 . 2 . . . A 157 VAL HG11 . 25652 1 1290 . 1 1 117 117 VAL HG12 H 1 0.986 0.02 . 2 . . . A 157 VAL HG12 . 25652 1 1291 . 1 1 117 117 VAL HG13 H 1 0.986 0.02 . 2 . . . A 157 VAL HG13 . 25652 1 1292 . 1 1 117 117 VAL HG21 H 1 1.012 0.02 . 2 . . . A 157 VAL HG21 . 25652 1 1293 . 1 1 117 117 VAL HG22 H 1 1.012 0.02 . 2 . . . A 157 VAL HG22 . 25652 1 1294 . 1 1 117 117 VAL HG23 H 1 1.012 0.02 . 2 . . . A 157 VAL HG23 . 25652 1 1295 . 1 1 117 117 VAL CA C 13 62.718 0.40 . 1 . . . A 157 VAL CA . 25652 1 1296 . 1 1 117 117 VAL CB C 13 32.638 0.40 . 1 . . . A 157 VAL CB . 25652 1 1297 . 1 1 117 117 VAL CG1 C 13 21.226 0.40 . 1 . . . A 157 VAL CG1 . 25652 1 1298 . 1 1 117 117 VAL CG2 C 13 20.796 0.40 . 1 . . . A 157 VAL CG2 . 25652 1 1299 . 1 1 117 117 VAL N N 15 121.074 0.40 . 1 . . . A 157 VAL N . 25652 1 1300 . 1 1 118 118 GLN H H 1 8.363 0.02 . 1 . . . A 158 GLN H . 25652 1 1301 . 1 1 118 118 GLN HA H 1 4.414 0.02 . 1 . . . A 158 GLN HA . 25652 1 1302 . 1 1 118 118 GLN HB2 H 1 2.225 0.02 . 2 . . . A 158 GLN HB2 . 25652 1 1303 . 1 1 118 118 GLN HB3 H 1 2.072 0.02 . 2 . . . A 158 GLN HB3 . 25652 1 1304 . 1 1 118 118 GLN HG2 H 1 2.426 0.02 . 2 . . . A 158 GLN HG2 . 25652 1 1305 . 1 1 118 118 GLN HG3 H 1 2.426 0.02 . 2 . . . A 158 GLN HG3 . 25652 1 1306 . 1 1 118 118 GLN CA C 13 56.029 0.40 . 1 . . . A 158 GLN CA . 25652 1 1307 . 1 1 118 118 GLN CB C 13 29.540 0.40 . 1 . . . A 158 GLN CB . 25652 1 1308 . 1 1 118 118 GLN CG C 13 33.873 0.40 . 1 . . . A 158 GLN CG . 25652 1 1309 . 1 1 118 118 GLN N N 15 123.454 0.40 . 1 . . . A 158 GLN N . 25652 1 1310 . 1 1 119 119 SER H H 1 8.308 0.02 . 1 . . . A 159 SER H . 25652 1 1311 . 1 1 119 119 SER HA H 1 4.524 0.02 . 1 . . . A 159 SER HA . 25652 1 1312 . 1 1 119 119 SER HB2 H 1 3.928 0.02 . 2 . . . A 159 SER HB2 . 25652 1 1313 . 1 1 119 119 SER HB3 H 1 3.928 0.02 . 2 . . . A 159 SER HB3 . 25652 1 1314 . 1 1 119 119 SER CA C 13 58.714 0.40 . 1 . . . A 159 SER CA . 25652 1 1315 . 1 1 119 119 SER CB C 13 63.767 0.40 . 1 . . . A 159 SER CB . 25652 1 1316 . 1 1 119 119 SER N N 15 117.041 0.40 . 1 . . . A 159 SER N . 25652 1 1317 . 1 1 120 120 GLY H H 1 8.375 0.02 . 1 . . . A 160 GLY H . 25652 1 1318 . 1 1 120 120 GLY HA2 H 1 4.028 0.02 . 2 . . . A 160 GLY HA2 . 25652 1 1319 . 1 1 120 120 GLY HA3 H 1 4.028 0.02 . 2 . . . A 160 GLY HA3 . 25652 1 1320 . 1 1 120 120 GLY CA C 13 45.520 0.40 . 1 . . . A 160 GLY CA . 25652 1 1321 . 1 1 120 120 GLY N N 15 110.469 0.40 . 1 . . . A 160 GLY N . 25652 1 1322 . 1 1 121 121 ASN H H 1 8.295 0.02 . 1 . . . A 161 ASN H . 25652 1 1323 . 1 1 121 121 ASN HA H 1 4.709 0.02 . 1 . . . A 161 ASN HA . 25652 1 1324 . 1 1 121 121 ASN HB2 H 1 2.793 0.02 . 2 . . . A 161 ASN HB2 . 25652 1 1325 . 1 1 121 121 ASN HB3 H 1 2.793 0.02 . 2 . . . A 161 ASN HB3 . 25652 1 1326 . 1 1 121 121 ASN CB C 13 39.077 0.40 . 1 . . . A 161 ASN CB . 25652 1 1327 . 1 1 121 121 ASN N N 15 118.524 0.40 . 1 . . . A 161 ASN N . 25652 1 1328 . 1 1 122 122 LEU H H 1 8.192 0.02 . 1 . . . A 162 LEU H . 25652 1 1329 . 1 1 122 122 LEU HA H 1 4.395 0.02 . 1 . . . A 162 LEU HA . 25652 1 1330 . 1 1 122 122 LEU HB2 H 1 1.666 0.02 . 2 . . . A 162 LEU HB2 . 25652 1 1331 . 1 1 122 122 LEU HB3 H 1 1.666 0.02 . 2 . . . A 162 LEU HB3 . 25652 1 1332 . 1 1 122 122 LEU CA C 13 55.363 0.40 . 1 . . . A 162 LEU CA . 25652 1 1333 . 1 1 122 122 LEU CB C 13 42.458 0.40 . 1 . . . A 162 LEU CB . 25652 1 1334 . 1 1 123 123 ALA H H 1 7.809 0.02 . 1 . . . A 163 ALA H . 25652 1 1335 . 1 1 123 123 ALA HA H 1 4.159 0.02 . 1 . . . A 163 ALA HA . 25652 1 1336 . 1 1 123 123 ALA HB1 H 1 1.366 0.02 . 1 . . . A 163 ALA HB1 . 25652 1 1337 . 1 1 123 123 ALA HB2 H 1 1.366 0.02 . 1 . . . A 163 ALA HB2 . 25652 1 1338 . 1 1 123 123 ALA HB3 H 1 1.366 0.02 . 1 . . . A 163 ALA HB3 . 25652 1 1339 . 1 1 123 123 ALA CA C 13 54.104 0.40 . 1 . . . A 163 ALA CA . 25652 1 1340 . 1 1 123 123 ALA CB C 13 20.378 0.40 . 1 . . . A 163 ALA CB . 25652 1 stop_ save_ save_RNA-chemical-shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode RNA-chemical-shifts _Assigned_chem_shift_list.Entry_ID 25652 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $40C _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'digital resolution' _Assigned_chem_shift_list.Details 'Chemical shifts for RNA imino protons were obtained from NOESY spectra measured at 5C.' _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 11 '2D 1H-1H NOESY' . . . 25652 2 13 '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' . . . 25652 2 14 '2D f2-13C-filtered NOESY' . . . 25652 2 15 '3D aliphatic-HSQC-NOESY' . . . 25652 2 31 '2D 1H-1H NOESY' . . . 25652 2 33 '3D 1H-13C NOESY aliphatic' . . . 25652 2 35 '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' . . . 25652 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 25652 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 G H1' H 1 5.906 0.02 . 1 . . . B 1 G H1' . 25652 2 2 . 2 2 1 1 G H2' H 1 4.808 0.02 . 1 . . . B 1 G H2' . 25652 2 3 . 2 2 1 1 G H3' H 1 4.999 0.02 . 1 . . . B 1 G H3' . 25652 2 4 . 2 2 1 1 G H4' H 1 4.619 0.02 . 1 . . . B 1 G H4' . 25652 2 5 . 2 2 1 1 G H5' H 1 4.143 0.02 . 2 . . . B 1 G H5' . 25652 2 6 . 2 2 1 1 G H5'' H 1 4.381 0.02 . 2 . . . B 1 G H5'' . 25652 2 7 . 2 2 1 1 G H8 H 1 8.237 0.02 . 1 . . . B 1 G H8 . 25652 2 8 . 2 2 1 1 G C1' C 13 89.329 0.40 . 1 . . . B 1 G C1' . 25652 2 9 . 2 2 1 1 G C2' C 13 71.838 0.40 . 1 . . . B 1 G C2' . 25652 2 10 . 2 2 1 1 G C3' C 13 72.676 0.40 . 1 . . . B 1 G C3' . 25652 2 11 . 2 2 1 1 G C4' C 13 80.852 0.40 . 1 . . . B 1 G C4' . 25652 2 12 . 2 2 1 1 G C5' C 13 63.136 0.40 . 1 . . . B 1 G C5' . 25652 2 13 . 2 2 1 1 G C8 C 13 139.238 0.40 . 1 . . . B 1 G C8 . 25652 2 14 . 2 2 2 2 G H1' H 1 6.013 0.02 . 1 . . . B 2 G H1' . 25652 2 15 . 2 2 2 2 G H2' H 1 4.775 0.02 . 1 . . . B 2 G H2' . 25652 2 16 . 2 2 2 2 G H3' H 1 4.682 0.02 . 1 . . . B 2 G H3' . 25652 2 17 . 2 2 2 2 G H4' H 1 4.550 0.02 . 1 . . . B 2 G H4' . 25652 2 18 . 2 2 2 2 G H5' H 1 4.325 0.02 . 2 . . . B 2 G H5' . 25652 2 19 . 2 2 2 2 G H5'' H 1 4.610 0.02 . 2 . . . B 2 G H5'' . 25652 2 20 . 2 2 2 2 G H8 H 1 7.674 0.02 . 1 . . . B 2 G H8 . 25652 2 21 . 2 2 2 2 G C1' C 13 90.246 0.40 . 1 . . . B 2 G C1' . 25652 2 22 . 2 2 2 2 G C2' C 13 73.073 0.40 . 1 . . . B 2 G C2' . 25652 2 23 . 2 2 2 2 G C3' C 13 70.525 0.40 . 1 . . . B 2 G C3' . 25652 2 24 . 2 2 2 2 G C4' C 13 79.696 0.40 . 1 . . . B 2 G C4' . 25652 2 25 . 2 2 2 2 G C5' C 13 63.512 0.40 . 1 . . . B 2 G C5' . 25652 2 26 . 2 2 2 2 G C8 C 13 136.761 0.40 . 1 . . . B 2 G C8 . 25652 2 27 . 2 2 3 3 G H1' H 1 5.844 0.02 . 1 . . . B 3 G H1' . 25652 2 28 . 2 2 3 3 G H2' H 1 4.689 0.02 . 1 . . . B 3 G H2' . 25652 2 29 . 2 2 3 3 G H3' H 1 4.658 0.02 . 1 . . . B 3 G H3' . 25652 2 30 . 2 2 3 3 G H4' H 1 4.538 0.02 . 1 . . . B 3 G H4' . 25652 2 31 . 2 2 3 3 G H5' H 1 4.130 0.02 . 2 . . . B 3 G H5' . 25652 2 32 . 2 2 3 3 G H5'' H 1 4.593 0.02 . 2 . . . B 3 G H5'' . 25652 2 33 . 2 2 3 3 G H8 H 1 7.327 0.02 . 1 . . . B 3 G H8 . 25652 2 34 . 2 2 3 3 G C1' C 13 90.329 0.40 . 1 . . . B 3 G C1' . 25652 2 35 . 2 2 3 3 G C2' C 13 72.994 0.40 . 1 . . . B 3 G C2' . 25652 2 36 . 2 2 3 3 G C3' C 13 70.532 0.40 . 1 . . . B 3 G C3' . 25652 2 37 . 2 2 3 3 G C4' C 13 79.503 0.40 . 1 . . . B 3 G C4' . 25652 2 38 . 2 2 3 3 G C5' C 13 63.401 0.40 . 1 . . . B 3 G C5' . 25652 2 39 . 2 2 3 3 G C8 C 13 136.384 0.40 . 1 . . . B 3 G C8 . 25652 2 40 . 2 2 4 4 A H1' H 1 6.095 0.02 . 1 . . . B 4 A H1' . 25652 2 41 . 2 2 4 4 A H2 H 1 7.948 0.02 . 1 . . . B 4 A H2 . 25652 2 42 . 2 2 4 4 A H2' H 1 4.679 0.02 . 1 . . . B 4 A H2' . 25652 2 43 . 2 2 4 4 A H3' H 1 4.687 0.02 . 1 . . . B 4 A H3' . 25652 2 44 . 2 2 4 4 A H4' H 1 4.524 0.02 . 1 . . . B 4 A H4' . 25652 2 45 . 2 2 4 4 A H5' H 1 4.144 0.02 . 2 . . . B 4 A H5' . 25652 2 46 . 2 2 4 4 A H5'' H 1 4.672 0.02 . 2 . . . B 4 A H5'' . 25652 2 47 . 2 2 4 4 A H8 H 1 7.919 0.02 . 1 . . . B 4 A H8 . 25652 2 48 . 2 2 4 4 A C1' C 13 90.323 0.40 . 1 . . . B 4 A C1' . 25652 2 49 . 2 2 4 4 A C2 C 13 154.327 0.40 . 1 . . . B 4 A C2 . 25652 2 50 . 2 2 4 4 A C2' C 13 72.870 0.40 . 1 . . . B 4 A C2' . 25652 2 51 . 2 2 4 4 A C3' C 13 70.316 0.40 . 1 . . . B 4 A C3' . 25652 2 52 . 2 2 4 4 A C4' C 13 79.404 0.40 . 1 . . . B 4 A C4' . 25652 2 53 . 2 2 4 4 A C5' C 13 62.646 0.40 . 1 . . . B 4 A C5' . 25652 2 54 . 2 2 4 4 A C8 C 13 139.452 0.40 . 1 . . . B 4 A C8 . 25652 2 55 . 2 2 5 5 C H1' H 1 5.468 0.02 . 1 . . . B 5 C H1' . 25652 2 56 . 2 2 5 5 C H2' H 1 4.414 0.02 . 1 . . . B 5 C H2' . 25652 2 57 . 2 2 5 5 C H3' H 1 4.381 0.02 . 1 . . . B 5 C H3' . 25652 2 58 . 2 2 5 5 C H4' H 1 4.454 0.02 . 1 . . . B 5 C H4' . 25652 2 59 . 2 2 5 5 C H5 H 1 5.346 0.02 . 1 . . . B 5 C H5 . 25652 2 60 . 2 2 5 5 C H5' H 1 4.127 0.02 . 2 . . . B 5 C H5' . 25652 2 61 . 2 2 5 5 C H5'' H 1 4.545 0.02 . 2 . . . B 5 C H5'' . 25652 2 62 . 2 2 5 5 C H6 H 1 7.497 0.02 . 1 . . . B 5 C H6 . 25652 2 63 . 2 2 5 5 C C1' C 13 91.284 0.40 . 1 . . . B 5 C C1' . 25652 2 64 . 2 2 5 5 C C2' C 13 73.017 0.40 . 1 . . . B 5 C C2' . 25652 2 65 . 2 2 5 5 C C3' C 13 70.155 0.40 . 1 . . . B 5 C C3' . 25652 2 66 . 2 2 5 5 C C4' C 13 79.297 0.40 . 1 . . . B 5 C C4' . 25652 2 67 . 2 2 5 5 C C5 C 13 94.817 0.40 . 1 . . . B 5 C C5 . 25652 2 68 . 2 2 5 5 C C5' C 13 62.940 0.40 . 1 . . . B 5 C C5' . 25652 2 69 . 2 2 5 5 C C6 C 13 140.894 0.40 . 1 . . . B 5 C C6 . 25652 2 70 . 2 2 6 6 C H1' H 1 5.635 0.02 . 1 . . . B 6 C H1' . 25652 2 71 . 2 2 6 6 C H2' H 1 4.667 0.02 . 1 . . . B 6 C H2' . 25652 2 72 . 2 2 6 6 C H3' H 1 4.536 0.02 . 1 . . . B 6 C H3' . 25652 2 73 . 2 2 6 6 C H4' H 1 4.449 0.02 . 1 . . . B 6 C H4' . 25652 2 74 . 2 2 6 6 C H5 H 1 5.589 0.02 . 1 . . . B 6 C H5 . 25652 2 75 . 2 2 6 6 C H5' H 1 4.167 0.02 . 2 . . . B 6 C H5' . 25652 2 76 . 2 2 6 6 C H5'' H 1 4.632 0.02 . 2 . . . B 6 C H5'' . 25652 2 77 . 2 2 6 6 C H6 H 1 7.833 0.02 . 1 . . . B 6 C H6 . 25652 2 78 . 2 2 6 6 C C1' C 13 91.584 0.40 . 1 . . . B 6 C C1' . 25652 2 79 . 2 2 6 6 C C2' C 13 72.919 0.40 . 1 . . . B 6 C C2' . 25652 2 80 . 2 2 6 6 C C3' C 13 70.079 0.40 . 1 . . . B 6 C C3' . 25652 2 81 . 2 2 6 6 C C4' C 13 79.358 0.40 . 1 . . . B 6 C C4' . 25652 2 82 . 2 2 6 6 C C5 C 13 95.258 0.40 . 1 . . . B 6 C C5 . 25652 2 83 . 2 2 6 6 C C5' C 13 62.228 0.40 . 1 . . . B 6 C C5' . 25652 2 84 . 2 2 6 6 C C6 C 13 141.863 0.40 . 1 . . . B 6 C C6 . 25652 2 85 . 2 2 7 7 U H1' H 1 5.623 0.02 . 1 . . . B 7 U H1' . 25652 2 86 . 2 2 7 7 U H2' H 1 4.681 0.02 . 1 . . . B 7 U H2' . 25652 2 87 . 2 2 7 7 U H3' H 1 4.690 0.02 . 1 . . . B 7 U H3' . 25652 2 88 . 2 2 7 7 U H4' H 1 4.480 0.02 . 1 . . . B 7 U H4' . 25652 2 89 . 2 2 7 7 U H5 H 1 5.484 0.02 . 1 . . . B 7 U H5 . 25652 2 90 . 2 2 7 7 U H5' H 1 4.162 0.02 . 2 . . . B 7 U H5' . 25652 2 91 . 2 2 7 7 U H5'' H 1 4.641 0.02 . 2 . . . B 7 U H5'' . 25652 2 92 . 2 2 7 7 U H6 H 1 7.934 0.02 . 1 . . . B 7 U H6 . 25652 2 93 . 2 2 7 7 U C1' C 13 90.923 0.40 . 1 . . . B 7 U C1' . 25652 2 94 . 2 2 7 7 U C2' C 13 72.846 0.40 . 1 . . . B 7 U C2' . 25652 2 95 . 2 2 7 7 U C3' C 13 70.049 0.40 . 1 . . . B 7 U C3' . 25652 2 96 . 2 2 7 7 U C4' C 13 79.419 0.40 . 1 . . . B 7 U C4' . 25652 2 97 . 2 2 7 7 U C5 C 13 100.983 0.40 . 1 . . . B 7 U C5 . 25652 2 98 . 2 2 7 7 U C5' C 13 62.007 0.40 . 1 . . . B 7 U C5' . 25652 2 99 . 2 2 7 7 U C6 C 13 141.977 0.40 . 1 . . . B 7 U C6 . 25652 2 100 . 2 2 8 8 G H1' H 1 5.861 0.02 . 1 . . . B 8 G H1' . 25652 2 101 . 2 2 8 8 G H2' H 1 4.675 0.02 . 1 . . . B 8 G H2' . 25652 2 102 . 2 2 8 8 G H3' H 1 4.683 0.02 . 1 . . . B 8 G H3' . 25652 2 103 . 2 2 8 8 G H4' H 1 4.468 0.02 . 1 . . . B 8 G H4' . 25652 2 104 . 2 2 8 8 G H5' H 1 4.235 0.02 . 2 . . . B 8 G H5' . 25652 2 105 . 2 2 8 8 G H5'' H 1 4.565 0.02 . 2 . . . B 8 G H5'' . 25652 2 106 . 2 2 8 8 G H8 H 1 7.800 0.02 . 1 . . . B 8 G H8 . 25652 2 107 . 2 2 8 8 G C1' C 13 89.843 0.40 . 1 . . . B 8 G C1' . 25652 2 108 . 2 2 8 8 G C2' C 13 72.895 0.40 . 1 . . . B 8 G C2' . 25652 2 109 . 2 2 8 8 G C3' C 13 70.241 0.40 . 1 . . . B 8 G C3' . 25652 2 110 . 2 2 8 8 G C4' C 13 79.457 0.40 . 1 . . . B 8 G C4' . 25652 2 111 . 2 2 8 8 G C5' C 13 63.105 0.40 . 1 . . . B 8 G C5' . 25652 2 112 . 2 2 8 8 G C8 C 13 136.550 0.40 . 1 . . . B 8 G C8 . 25652 2 113 . 2 2 9 9 G H1' H 1 5.792 0.02 . 1 . . . B 9 G H1' . 25652 2 114 . 2 2 9 9 G H2' H 1 4.489 0.02 . 1 . . . B 9 G H2' . 25652 2 115 . 2 2 9 9 G H3' H 1 4.428 0.02 . 1 . . . B 9 G H3' . 25652 2 116 . 2 2 9 9 G H4' H 1 4.499 0.02 . 1 . . . B 9 G H4' . 25652 2 117 . 2 2 9 9 G H5' H 1 4.117 0.02 . 2 . . . B 9 G H5' . 25652 2 118 . 2 2 9 9 G H5'' H 1 4.517 0.02 . 2 . . . B 9 G H5'' . 25652 2 119 . 2 2 9 9 G H8 H 1 7.254 0.02 . 1 . . . B 9 G H8 . 25652 2 120 . 2 2 9 9 G C1' C 13 89.843 0.40 . 1 . . . B 9 G C1' . 25652 2 121 . 2 2 9 9 G C2' C 13 73.234 0.40 . 1 . . . B 9 G C2' . 25652 2 122 . 2 2 9 9 G C3' C 13 70.737 0.40 . 1 . . . B 9 G C3' . 25652 2 123 . 2 2 9 9 G C4' C 13 79.741 0.40 . 1 . . . B 9 G C4' . 25652 2 124 . 2 2 9 9 G C5' C 13 63.433 0.40 . 1 . . . B 9 G C5' . 25652 2 125 . 2 2 9 9 G C8 C 13 136.086 0.40 . 1 . . . B 9 G C8 . 25652 2 126 . 2 2 10 10 U H1' H 1 5.811 0.02 . 1 . . . B 10 U H1' . 25652 2 127 . 2 2 10 10 U H2' H 1 4.262 0.02 . 1 . . . B 10 U H2' . 25652 2 128 . 2 2 10 10 U H3' H 1 4.704 0.02 . 1 . . . B 10 U H3' . 25652 2 129 . 2 2 10 10 U H4' H 1 4.453 0.02 . 1 . . . B 10 U H4' . 25652 2 130 . 2 2 10 10 U H5 H 1 5.477 0.02 . 1 . . . B 10 U H5 . 25652 2 131 . 2 2 10 10 U H5' H 1 4.126 0.02 . 2 . . . B 10 U H5' . 25652 2 132 . 2 2 10 10 U H5'' H 1 4.339 0.02 . 2 . . . B 10 U H5'' . 25652 2 133 . 2 2 10 10 U H6 H 1 7.691 0.02 . 1 . . . B 10 U H6 . 25652 2 134 . 2 2 10 10 U C1' C 13 89.253 0.40 . 1 . . . B 10 U C1' . 25652 2 135 . 2 2 10 10 U C2' C 13 73.651 0.40 . 1 . . . B 10 U C2' . 25652 2 136 . 2 2 10 10 U C3' C 13 73.758 0.40 . 1 . . . B 10 U C3' . 25652 2 137 . 2 2 10 10 U C4' C 13 81.318 0.40 . 1 . . . B 10 U C4' . 25652 2 138 . 2 2 10 10 U C5 C 13 101.820 0.40 . 1 . . . B 10 U C5 . 25652 2 139 . 2 2 10 10 U C5' C 13 62.909 0.40 . 1 . . . B 10 U C5' . 25652 2 140 . 2 2 10 10 U C6 C 13 141.803 0.40 . 1 . . . B 10 U C6 . 25652 2 141 . 2 2 11 11 C H2' H 1 4.264 0.02 . 1 . . . B 11 C H2' . 25652 2 142 . 2 2 11 11 C H3' H 1 4.380 0.02 . 1 . . . B 11 C H3' . 25652 2 143 . 2 2 11 11 C H4' H 1 4.350 0.02 . 1 . . . B 11 C H4' . 25652 2 144 . 2 2 11 11 C H5 H 1 6.013 0.02 . 1 . . . B 11 C H5 . 25652 2 145 . 2 2 11 11 C H5' H 1 4.133 0.02 . 2 . . . B 11 C H5' . 25652 2 146 . 2 2 11 11 C H5'' H 1 4.173 0.02 . 2 . . . B 11 C H5'' . 25652 2 147 . 2 2 11 11 C H6 H 1 7.790 0.02 . 1 . . . B 11 C H6 . 25652 2 148 . 2 2 11 11 C C2' C 13 74.412 0.40 . 1 . . . B 11 C C2' . 25652 2 149 . 2 2 11 11 C C3' C 13 70.138 0.40 . 1 . . . B 11 C C3' . 25652 2 150 . 2 2 11 11 C C4' C 13 83.151 0.40 . 1 . . . B 11 C C4' . 25652 2 151 . 2 2 11 11 C C5 C 13 96.495 0.40 . 1 . . . B 11 C C5 . 25652 2 152 . 2 2 11 11 C C5' C 13 65.094 0.40 . 1 . . . B 11 C C5' . 25652 2 153 . 2 2 11 11 C C6 C 13 143.348 0.40 . 1 . . . B 11 C C6 . 25652 2 154 . 2 2 12 12 U H1' H 1 5.987 0.02 . 1 . . . B 12 U H1' . 25652 2 155 . 2 2 12 12 U H2' H 1 4.361 0.02 . 1 . . . B 12 U H2' . 25652 2 156 . 2 2 12 12 U H3' H 1 4.758 0.02 . 1 . . . B 12 U H3' . 25652 2 157 . 2 2 12 12 U H4' H 1 4.480 0.02 . 1 . . . B 12 U H4' . 25652 2 158 . 2 2 12 12 U H5' H 1 4.113 0.02 . 2 . . . B 12 U H5' . 25652 2 159 . 2 2 12 12 U H5'' H 1 4.225 0.02 . 2 . . . B 12 U H5'' . 25652 2 160 . 2 2 12 12 U H6 H 1 7.608 0.02 . 1 . . . B 12 U H6 . 25652 2 161 . 2 2 12 12 U C1' C 13 87.132 0.40 . 1 . . . B 12 U C1' . 25652 2 162 . 2 2 12 12 U C2' C 13 74.113 0.40 . 1 . . . B 12 U C2' . 25652 2 163 . 2 2 12 12 U C3' C 13 76.486 0.40 . 1 . . . B 12 U C3' . 25652 2 164 . 2 2 12 12 U C4' C 13 83.539 0.40 . 1 . . . B 12 U C4' . 25652 2 165 . 2 2 12 12 U C5' C 13 65.594 0.40 . 1 . . . B 12 U C5' . 25652 2 166 . 2 2 12 12 U C6 C 13 143.433 0.40 . 1 . . . B 12 U C6 . 25652 2 167 . 2 2 13 13 U H1' H 1 6.008 0.02 . 1 . . . B 13 U H1' . 25652 2 168 . 2 2 13 13 U H2' H 1 4.466 0.02 . 1 . . . B 13 U H2' . 25652 2 169 . 2 2 13 13 U H3' H 1 4.786 0.02 . 1 . . . B 13 U H3' . 25652 2 170 . 2 2 13 13 U H4' H 1 4.451 0.02 . 1 . . . B 13 U H4' . 25652 2 171 . 2 2 13 13 U H5 H 1 6.062 0.02 . 1 . . . B 13 U H5 . 25652 2 172 . 2 2 13 13 U H5' H 1 4.158 0.02 . 2 . . . B 13 U H5' . 25652 2 173 . 2 2 13 13 U H5'' H 1 4.236 0.02 . 2 . . . B 13 U H5'' . 25652 2 174 . 2 2 13 13 U H6 H 1 7.937 0.02 . 1 . . . B 13 U H6 . 25652 2 175 . 2 2 13 13 U C1' C 13 88.081 0.40 . 1 . . . B 13 U C1' . 25652 2 176 . 2 2 13 13 U C2' C 13 72.809 0.40 . 1 . . . B 13 U C2' . 25652 2 177 . 2 2 13 13 U C3' C 13 74.556 0.40 . 1 . . . B 13 U C3' . 25652 2 178 . 2 2 13 13 U C4' C 13 82.698 0.40 . 1 . . . B 13 U C4' . 25652 2 179 . 2 2 13 13 U C5 C 13 103.096 0.40 . 1 . . . B 13 U C5 . 25652 2 180 . 2 2 13 13 U C5' C 13 65.180 0.40 . 1 . . . B 13 U C5' . 25652 2 181 . 2 2 13 13 U C6 C 13 143.771 0.40 . 1 . . . B 13 U C6 . 25652 2 182 . 2 2 14 14 U H1' H 1 5.981 0.02 . 1 . . . B 14 U H1' . 25652 2 183 . 2 2 14 14 U H2' H 1 4.587 0.02 . 1 . . . B 14 U H2' . 25652 2 184 . 2 2 14 14 U H3' H 1 4.724 0.02 . 1 . . . B 14 U H3' . 25652 2 185 . 2 2 14 14 U H4' H 1 4.591 0.02 . 1 . . . B 14 U H4' . 25652 2 186 . 2 2 14 14 U H5 H 1 5.997 0.02 . 1 . . . B 14 U H5 . 25652 2 187 . 2 2 14 14 U H5' H 1 4.227 0.02 . 2 . . . B 14 U H5' . 25652 2 188 . 2 2 14 14 U H5'' H 1 4.357 0.02 . 2 . . . B 14 U H5'' . 25652 2 189 . 2 2 14 14 U H6 H 1 8.029 0.02 . 1 . . . B 14 U H6 . 25652 2 190 . 2 2 14 14 U C1' C 13 88.664 0.40 . 1 . . . B 14 U C1' . 25652 2 191 . 2 2 14 14 U C2' C 13 72.624 0.40 . 1 . . . B 14 U C2' . 25652 2 192 . 2 2 14 14 U C3' C 13 73.965 0.40 . 1 . . . B 14 U C3' . 25652 2 193 . 2 2 14 14 U C4' C 13 82.273 0.40 . 1 . . . B 14 U C4' . 25652 2 194 . 2 2 14 14 U C5 C 13 102.534 0.40 . 1 . . . B 14 U C5 . 25652 2 195 . 2 2 14 14 U C5' C 13 65.267 0.40 . 1 . . . B 14 U C5' . 25652 2 196 . 2 2 14 14 U C6 C 13 144.139 0.40 . 1 . . . B 14 U C6 . 25652 2 197 . 2 2 15 15 C H1' H 1 5.690 0.02 . 1 . . . B 15 C H1' . 25652 2 198 . 2 2 15 15 C H2' H 1 4.585 0.02 . 1 . . . B 15 C H2' . 25652 2 199 . 2 2 15 15 C H3' H 1 4.581 0.02 . 1 . . . B 15 C H3' . 25652 2 200 . 2 2 15 15 C H4' H 1 4.599 0.02 . 1 . . . B 15 C H4' . 25652 2 201 . 2 2 15 15 C H5 H 1 6.105 0.02 . 1 . . . B 15 C H5 . 25652 2 202 . 2 2 15 15 C H5' H 1 4.327 0.02 . 2 . . . B 15 C H5' . 25652 2 203 . 2 2 15 15 C H5'' H 1 4.514 0.02 . 2 . . . B 15 C H5'' . 25652 2 204 . 2 2 15 15 C H6 H 1 8.095 0.02 . 1 . . . B 15 C H6 . 25652 2 205 . 2 2 15 15 C C1' C 13 91.445 0.40 . 1 . . . B 15 C C1' . 25652 2 206 . 2 2 15 15 C C2' C 13 72.786 0.40 . 1 . . . B 15 C C2' . 25652 2 207 . 2 2 15 15 C C3' C 13 71.261 0.40 . 1 . . . B 15 C C3' . 25652 2 208 . 2 2 15 15 C C4' C 13 80.031 0.40 . 1 . . . B 15 C C4' . 25652 2 209 . 2 2 15 15 C C5 C 13 95.976 0.40 . 1 . . . B 15 C C5 . 25652 2 210 . 2 2 15 15 C C5' C 13 64.374 0.40 . 1 . . . B 15 C C5' . 25652 2 211 . 2 2 15 15 C C6 C 13 143.010 0.40 . 1 . . . B 15 C C6 . 25652 2 212 . 2 2 16 16 C H1' H 1 5.596 0.02 . 1 . . . B 16 C H1' . 25652 2 213 . 2 2 16 16 C H2' H 1 4.673 0.02 . 1 . . . B 16 C H2' . 25652 2 214 . 2 2 16 16 C H3' H 1 4.674 0.02 . 1 . . . B 16 C H3' . 25652 2 215 . 2 2 16 16 C H4' H 1 4.472 0.02 . 1 . . . B 16 C H4' . 25652 2 216 . 2 2 16 16 C H5 H 1 5.758 0.02 . 1 . . . B 16 C H5 . 25652 2 217 . 2 2 16 16 C H5' H 1 4.164 0.02 . 2 . . . B 16 C H5' . 25652 2 218 . 2 2 16 16 C H5'' H 1 4.602 0.02 . 2 . . . B 16 C H5'' . 25652 2 219 . 2 2 16 16 C H6 H 1 7.841 0.02 . 1 . . . B 16 C H6 . 25652 2 220 . 2 2 16 16 C C1' C 13 91.729 0.40 . 1 . . . B 16 C C1' . 25652 2 221 . 2 2 16 16 C C2' C 13 72.910 0.40 . 1 . . . B 16 C C2' . 25652 2 222 . 2 2 16 16 C C3' C 13 70.262 0.40 . 1 . . . B 16 C C3' . 25652 2 223 . 2 2 16 16 C C4' C 13 79.404 0.40 . 1 . . . B 16 C C4' . 25652 2 224 . 2 2 16 16 C C5 C 13 95.104 0.40 . 1 . . . B 16 C C5 . 25652 2 225 . 2 2 16 16 C C5' C 13 62.567 0.40 . 1 . . . B 16 C C5' . 25652 2 226 . 2 2 16 16 C C6 C 13 141.716 0.40 . 1 . . . B 16 C C6 . 25652 2 227 . 2 2 17 17 A H1' H 1 6.016 0.02 . 1 . . . B 17 A H1' . 25652 2 228 . 2 2 17 17 A H2 H 1 7.117 0.02 . 1 . . . B 17 A H2 . 25652 2 229 . 2 2 17 17 A H2' H 1 4.781 0.02 . 1 . . . B 17 A H2' . 25652 2 230 . 2 2 17 17 A H3' H 1 4.837 0.02 . 1 . . . B 17 A H3' . 25652 2 231 . 2 2 17 17 A H4' H 1 4.539 0.02 . 1 . . . B 17 A H4' . 25652 2 232 . 2 2 17 17 A H5' H 1 4.272 0.02 . 2 . . . B 17 A H5' . 25652 2 233 . 2 2 17 17 A H5'' H 1 4.657 0.02 . 2 . . . B 17 A H5'' . 25652 2 234 . 2 2 17 17 A H8 H 1 8.163 0.02 . 1 . . . B 17 A H8 . 25652 2 235 . 2 2 17 17 A C1' C 13 90.058 0.40 . 1 . . . B 17 A C1' . 25652 2 236 . 2 2 17 17 A C2 C 13 152.781 0.40 . 1 . . . B 17 A C2 . 25652 2 237 . 2 2 17 17 A C2' C 13 73.299 0.40 . 1 . . . B 17 A C2' . 25652 2 238 . 2 2 17 17 A C3' C 13 70.373 0.40 . 1 . . . B 17 A C3' . 25652 2 239 . 2 2 17 17 A C4' C 13 79.346 0.40 . 1 . . . B 17 A C4' . 25652 2 240 . 2 2 17 17 A C5' C 13 62.739 0.40 . 1 . . . B 17 A C5' . 25652 2 241 . 2 2 17 17 A C8 C 13 139.742 0.40 . 1 . . . B 17 A C8 . 25652 2 242 . 2 2 18 18 G H1' H 1 5.685 0.02 . 1 . . . B 18 G H1' . 25652 2 243 . 2 2 18 18 G H2' H 1 4.651 0.02 . 1 . . . B 18 G H2' . 25652 2 244 . 2 2 18 18 G H3' H 1 4.524 0.02 . 1 . . . B 18 G H3' . 25652 2 245 . 2 2 18 18 G H4' H 1 4.479 0.02 . 1 . . . B 18 G H4' . 25652 2 246 . 2 2 18 18 G H5' H 1 4.166 0.02 . 2 . . . B 18 G H5' . 25652 2 247 . 2 2 18 18 G H5'' H 1 4.535 0.02 . 2 . . . B 18 G H5'' . 25652 2 248 . 2 2 18 18 G H8 H 1 7.255 0.02 . 1 . . . B 18 G H8 . 25652 2 249 . 2 2 18 18 G C1' C 13 89.903 0.40 . 1 . . . B 18 G C1' . 25652 2 250 . 2 2 18 18 G C2' C 13 72.875 0.40 . 1 . . . B 18 G C2' . 25652 2 251 . 2 2 18 18 G C3' C 13 70.368 0.40 . 1 . . . B 18 G C3' . 25652 2 252 . 2 2 18 18 G C4' C 13 79.404 0.40 . 1 . . . B 18 G C4' . 25652 2 253 . 2 2 18 18 G C5' C 13 63.309 0.40 . 1 . . . B 18 G C5' . 25652 2 254 . 2 2 18 18 G C8 C 13 136.237 0.40 . 1 . . . B 18 G C8 . 25652 2 255 . 2 2 19 19 G H1' H 1 5.810 0.02 . 1 . . . B 19 G H1' . 25652 2 256 . 2 2 19 19 G H2' H 1 4.539 0.02 . 1 . . . B 19 G H2' . 25652 2 257 . 2 2 19 19 G H3' H 1 4.528 0.02 . 1 . . . B 19 G H3' . 25652 2 258 . 2 2 19 19 G H4' H 1 4.469 0.02 . 1 . . . B 19 G H4' . 25652 2 259 . 2 2 19 19 G H5' H 1 4.125 0.02 . 2 . . . B 19 G H5' . 25652 2 260 . 2 2 19 19 G H5'' H 1 4.534 0.02 . 2 . . . B 19 G H5'' . 25652 2 261 . 2 2 19 19 G H8 H 1 7.273 0.02 . 1 . . . B 19 G H8 . 25652 2 262 . 2 2 19 19 G C1' C 13 90.480 0.40 . 1 . . . B 19 G C1' . 25652 2 263 . 2 2 19 19 G C2' C 13 73.067 0.40 . 1 . . . B 19 G C2' . 25652 2 264 . 2 2 19 19 G C3' C 13 70.455 0.40 . 1 . . . B 19 G C3' . 25652 2 265 . 2 2 19 19 G C4' C 13 79.578 0.40 . 1 . . . B 19 G C4' . 25652 2 266 . 2 2 19 19 G C5' C 13 63.253 0.40 . 1 . . . B 19 G C5' . 25652 2 267 . 2 2 19 19 G C8 C 13 136.352 0.40 . 1 . . . B 19 G C8 . 25652 2 268 . 2 2 20 20 U H1' H 1 5.701 0.02 . 1 . . . B 20 U H1' . 25652 2 269 . 2 2 20 20 U H2' H 1 4.652 0.02 . 1 . . . B 20 U H2' . 25652 2 270 . 2 2 20 20 U H3' H 1 4.548 0.02 . 1 . . . B 20 U H3' . 25652 2 271 . 2 2 20 20 U H4' H 1 4.477 0.02 . 1 . . . B 20 U H4' . 25652 2 272 . 2 2 20 20 U H5 H 1 5.160 0.02 . 1 . . . B 20 U H5 . 25652 2 273 . 2 2 20 20 U H5' H 1 4.146 0.02 . 2 . . . B 20 U H5' . 25652 2 274 . 2 2 20 20 U H5'' H 1 4.621 0.02 . 2 . . . B 20 U H5'' . 25652 2 275 . 2 2 20 20 U H6 H 1 7.889 0.02 . 1 . . . B 20 U H6 . 25652 2 276 . 2 2 20 20 U C1' C 13 91.132 0.40 . 1 . . . B 20 U C1' . 25652 2 277 . 2 2 20 20 U C2' C 13 72.989 0.40 . 1 . . . B 20 U C2' . 25652 2 278 . 2 2 20 20 U C3' C 13 69.799 0.40 . 1 . . . B 20 U C3' . 25652 2 279 . 2 2 20 20 U C4' C 13 79.511 0.40 . 1 . . . B 20 U C4' . 25652 2 280 . 2 2 20 20 U C5 C 13 99.885 0.40 . 1 . . . B 20 U C5 . 25652 2 281 . 2 2 20 20 U C5' C 13 62.227 0.40 . 1 . . . B 20 U C5' . 25652 2 282 . 2 2 20 20 U C6 C 13 142.171 0.40 . 1 . . . B 20 U C6 . 25652 2 283 . 2 2 21 21 C H1' H 1 5.722 0.02 . 1 . . . B 21 C H1' . 25652 2 284 . 2 2 21 21 C H2' H 1 4.463 0.02 . 1 . . . B 21 C H2' . 25652 2 285 . 2 2 21 21 C H3' H 1 4.534 0.02 . 1 . . . B 21 C H3' . 25652 2 286 . 2 2 21 21 C H4' H 1 4.486 0.02 . 1 . . . B 21 C H4' . 25652 2 287 . 2 2 21 21 C H5 H 1 5.762 0.02 . 1 . . . B 21 C H5 . 25652 2 288 . 2 2 21 21 C H5' H 1 4.248 0.02 . 2 . . . B 21 C H5' . 25652 2 289 . 2 2 21 21 C H5'' H 1 4.588 0.02 . 2 . . . B 21 C H5'' . 25652 2 290 . 2 2 21 21 C H6 H 1 7.931 0.02 . 1 . . . B 21 C H6 . 25652 2 291 . 2 2 21 21 C C1' C 13 91.442 0.40 . 1 . . . B 21 C C1' . 25652 2 292 . 2 2 21 21 C C2' C 13 73.113 0.40 . 1 . . . B 21 C C2' . 25652 2 293 . 2 2 21 21 C C3' C 13 69.953 0.40 . 1 . . . B 21 C C3' . 25652 2 294 . 2 2 21 21 C C4' C 13 79.195 0.40 . 1 . . . B 21 C C4' . 25652 2 295 . 2 2 21 21 C C5 C 13 95.465 0.40 . 1 . . . B 21 C C5 . 25652 2 296 . 2 2 21 21 C C5' C 13 62.889 0.40 . 1 . . . B 21 C C5' . 25652 2 297 . 2 2 21 21 C C6 C 13 141.754 0.40 . 1 . . . B 21 C C6 . 25652 2 298 . 2 2 22 22 C H1' H 1 5.561 0.02 . 1 . . . B 22 C H1' . 25652 2 299 . 2 2 22 22 C H2' H 1 4.336 0.02 . 1 . . . B 22 C H2' . 25652 2 300 . 2 2 22 22 C H3' H 1 4.567 0.02 . 1 . . . B 22 C H3' . 25652 2 301 . 2 2 22 22 C H4' H 1 4.436 0.02 . 1 . . . B 22 C H4' . 25652 2 302 . 2 2 22 22 C H5 H 1 5.591 0.02 . 1 . . . B 22 C H5 . 25652 2 303 . 2 2 22 22 C H5' H 1 4.161 0.02 . 2 . . . B 22 C H5' . 25652 2 304 . 2 2 22 22 C H5'' H 1 4.621 0.02 . 2 . . . B 22 C H5'' . 25652 2 305 . 2 2 22 22 C H6 H 1 7.852 0.02 . 1 . . . B 22 C H6 . 25652 2 306 . 2 2 22 22 C C1' C 13 91.718 0.40 . 1 . . . B 22 C C1' . 25652 2 307 . 2 2 22 22 C C2' C 13 72.949 0.40 . 1 . . . B 22 C C2' . 25652 2 308 . 2 2 22 22 C C3' C 13 69.750 0.40 . 1 . . . B 22 C C3' . 25652 2 309 . 2 2 22 22 C C4' C 13 79.484 0.40 . 1 . . . B 22 C C4' . 25652 2 310 . 2 2 22 22 C C5 C 13 95.426 0.40 . 1 . . . B 22 C C5 . 25652 2 311 . 2 2 22 22 C C5' C 13 62.389 0.40 . 1 . . . B 22 C C5' . 25652 2 312 . 2 2 22 22 C C6 C 13 142.026 0.40 . 1 . . . B 22 C C6 . 25652 2 313 . 2 2 23 23 C H1' H 1 5.843 0.02 . 1 . . . B 23 C H1' . 25652 2 314 . 2 2 23 23 C H2' H 1 4.069 0.02 . 1 . . . B 23 C H2' . 25652 2 315 . 2 2 23 23 C H3' H 1 4.254 0.02 . 1 . . . B 23 C H3' . 25652 2 316 . 2 2 23 23 C H4' H 1 4.248 0.02 . 1 . . . B 23 C H4' . 25652 2 317 . 2 2 23 23 C H5 H 1 5.587 0.02 . 1 . . . B 23 C H5 . 25652 2 318 . 2 2 23 23 C H5' H 1 4.109 0.02 . 2 . . . B 23 C H5' . 25652 2 319 . 2 2 23 23 C H5'' H 1 4.560 0.02 . 2 . . . B 23 C H5'' . 25652 2 320 . 2 2 23 23 C H6 H 1 7.784 0.02 . 1 . . . B 23 C H6 . 25652 2 321 . 2 2 23 23 C C1' C 13 90.074 0.40 . 1 . . . B 23 C C1' . 25652 2 322 . 2 2 23 23 C C2' C 13 74.988 0.40 . 1 . . . B 23 C C2' . 25652 2 323 . 2 2 23 23 C C3' C 13 67.309 0.40 . 1 . . . B 23 C C3' . 25652 2 324 . 2 2 23 23 C C4' C 13 81.044 0.40 . 1 . . . B 23 C C4' . 25652 2 325 . 2 2 23 23 C C5 C 13 95.013 0.40 . 1 . . . B 23 C C5 . 25652 2 326 . 2 2 23 23 C C5' C 13 62.877 0.40 . 1 . . . B 23 C C5' . 25652 2 327 . 2 2 23 23 C C6 C 13 141.966 0.40 . 1 . . . B 23 C C6 . 25652 2 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 25652 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $40C _RDC_list.Spectrometer_frequency_1H 900.0 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details ; The data for N-H imino signals of the SL23H RNA were obtained from TROSY experiments measured at 5C where these signals were visible. ; _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 16 '2D H2C2 TROSY' . . . 25652 1 17 '2D H6C6 TROSY' . . . 25652 1 18 '2D H8C8 TROSY' . . . 25652 1 19 '2D H2C2 TROSY' . . . 25652 1 20 '2D H6C6 TROSY' . . . 25652 1 21 '2D H8C8 TROSY' . . . 25652 1 22 '2D H5C5 TROSY' . . . 25652 1 23 "2D H1'C1' TROSY" . . . 25652 1 24 '2D H5C5 TROSY' . . . 25652 1 25 "2D H1'C1' TROSY" . . . 25652 1 26 '2D HN TROSY' . . . 25652 1 27 '2D HN TROSY' . . . 25652 1 28 '2D HN TROSY' . . . 25652 1 29 '2D HN TROSY' . . . 25652 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $SPARKY . . 25652 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHN . 1 1 15 15 GLY H H 1 . . 1 1 15 15 GLY N N 15 . -3.6 . . 1 . . . . 15 GLY H . 15 GLY N 25652 1 2 1DHN . 1 1 16 16 VAL H H 1 . . 1 1 16 16 VAL N N 15 . 3.96 . . 1 . . . . 16 VAL H . 16 VAL N 25652 1 3 1DHN . 1 1 20 20 VAL H H 1 . . 1 1 20 20 VAL N N 15 . -8.53 . . 1 . . . . 20 VAL H . 20 VAL N 25652 1 4 1DHN . 1 1 21 21 ILE H H 1 . . 1 1 21 21 ILE N N 15 . -8.46 . . 1 . . . . 21 ILE H . 21 ILE N 25652 1 5 1DHN . 1 1 22 22 HIS H H 1 . . 1 1 22 22 HIS N N 15 . -6.94 . . 1 . . . . 22 HIS H . 22 HIS N 25652 1 6 1DHN . 1 1 32 32 GLU H H 1 . . 1 1 32 32 GLU N N 15 . -7.12 . . 1 . . . . 32 GLU H . 32 GLU N 25652 1 7 1DHN . 1 1 34 34 GLU H H 1 . . 1 1 34 34 GLU N N 15 . 1.59 . . 1 . . . . 34 GLU H . 34 GLU N 25652 1 8 1DHN . 1 1 36 36 ILE H H 1 . . 1 1 36 36 ILE N N 15 . -6.68 . . 1 . . . . 36 ILE H . 36 ILE N 25652 1 9 1DHN . 1 1 38 38 LEU H H 1 . . 1 1 38 38 LEU N N 15 . 5.66 . . 1 . . . . 38 LEU H . 38 LEU N 25652 1 10 1DHN . 1 1 39 39 GLY H H 1 . . 1 1 39 39 GLY N N 15 . -5.52 . . 1 . . . . 39 GLY H . 39 GLY N 25652 1 11 1DHN . 1 1 40 40 LEU H H 1 . . 1 1 40 40 LEU N N 15 . 0.31 . . 1 . . . . 40 LEU H . 40 LEU N 25652 1 12 1DHN . 1 1 46 46 THR H H 1 . . 1 1 46 46 THR N N 15 . -7.23 . . 1 . . . . 46 THR H . 46 THR N 25652 1 13 1DHN . 1 1 47 47 ASN H H 1 . . 1 1 47 47 ASN N N 15 . -5.26 . . 1 . . . . 47 ASN H . 47 ASN N 25652 1 14 1DHN . 1 1 48 48 LEU H H 1 . . 1 1 48 48 LEU N N 15 . -3.31 . . 1 . . . . 48 LEU H . 48 LEU N 25652 1 15 1DHN . 1 1 56 56 GLN H H 1 . . 1 1 56 56 GLN N N 15 . -4.92 . . 1 . . . . 56 GLN H . 56 GLN N 25652 1 16 1DHN . 1 1 58 58 PHE H H 1 . . 1 1 58 58 PHE N N 15 . -7.03 . . 1 . . . . 58 PHE H . 58 PHE N 25652 1 17 1DHN . 1 1 61 61 MET H H 1 . . 1 1 61 61 MET N N 15 . -3.79 . . 1 . . . . 61 MET H . 61 MET N 25652 1 18 1DHN . 1 1 63 63 THR H H 1 . . 1 1 63 63 THR N N 15 . -2.35 . . 1 . . . . 63 THR H . 63 THR N 25652 1 19 1DHN . 1 1 64 64 GLU H H 1 . . 1 1 64 64 GLU N N 15 . 0.72 . . 1 . . . . 64 GLU H . 64 GLU N 25652 1 20 1DHN . 1 1 65 65 GLU H H 1 . . 1 1 65 65 GLU N N 15 . 3.75 . . 1 . . . . 65 GLU H . 65 GLU N 25652 1 21 1DHN . 1 1 68 68 ASN H H 1 . . 1 1 68 68 ASN N N 15 . 3.37 . . 1 . . . . 68 ASN H . 68 ASN N 25652 1 22 1DHN . 1 1 69 69 THR H H 1 . . 1 1 69 69 THR N N 15 . 1.76 . . 1 . . . . 69 THR H . 69 THR N 25652 1 23 1DHN . 1 1 72 72 ASN H H 1 . . 1 1 72 72 ASN N N 15 . 5.92 . . 1 . . . . 72 ASN H . 72 ASN N 25652 1 24 1DHN . 1 1 74 74 TYR H H 1 . . 1 1 74 74 TYR N N 15 . 2.44 . . 1 . . . . 74 TYR H . 74 TYR N 25652 1 25 1DHN . 1 1 75 75 THR H H 1 . . 1 1 75 75 THR N N 15 . 7.36 . . 1 . . . . 75 THR H . 75 THR N 25652 1 26 1DHN . 1 1 77 77 VAL H H 1 . . 1 1 77 77 VAL N N 15 . 1.29 . . 1 . . . . 77 VAL H . 77 VAL N 25652 1 27 1DHN . 1 1 80 80 VAL H H 1 . . 1 1 80 80 VAL N N 15 . 8.67 . . 1 . . . . 80 VAL H . 80 VAL N 25652 1 28 1DHN . 1 1 81 81 LEU H H 1 . . 1 1 81 81 LEU N N 15 . 6.86 . . 1 . . . . 81 LEU H . 81 LEU N 25652 1 29 1DHN . 1 1 84 84 GLN H H 1 . . 1 1 84 84 GLN N N 15 . -0.47 . . 1 . . . . 84 GLN H . 84 GLN N 25652 1 30 1DHN . 1 1 86 86 ILE H H 1 . . 1 1 86 86 ILE N N 15 . 9.87 . . 1 . . . . 86 ILE H . 86 ILE N 25652 1 31 1DHN . 1 1 90 90 PHE H H 1 . . 1 1 90 90 PHE N N 15 . -7.18 . . 1 . . . . 90 PHE H . 90 PHE N 25652 1 32 1DHN . 1 1 107 107 ALA H H 1 . . 1 1 107 107 ALA N N 15 . 7.45 . . 1 . . . . 107 ALA H . 107 ALA N 25652 1 33 1DHN . 1 1 108 108 GLN H H 1 . . 1 1 108 108 GLN N N 15 . 7.97 . . 1 . . . . 108 GLN H . 108 GLN N 25652 1 34 1DHN . 1 1 109 109 ALA H H 1 . . 1 1 109 109 ALA N N 15 . 10.3 . . 1 . . . . 109 ALA H . 109 ALA N 25652 1 35 1DHN . 1 1 110 110 ALA H H 1 . . 1 1 110 110 ALA N N 15 . 10.41 . . 1 . . . . 110 ALA H . 110 ALA N 25652 1 36 1DHN . 1 1 111 111 LEU H H 1 . . 1 1 111 111 LEU N N 15 . 6.31 . . 1 . . . . 111 LEU H . 111 LEU N 25652 1 37 1DHN . 1 1 112 112 GLN H H 1 . . 1 1 112 112 GLN N N 15 . 7.64 . . 1 . . . . 112 GLN H . 112 GLN N 25652 1 38 1DHN . 1 1 113 113 ALA H H 1 . . 1 1 113 113 ALA N N 15 . 11.9 . . 1 . . . . 113 ALA H . 113 ALA N 25652 1 39 1DHN . 1 1 114 114 VAL H H 1 . . 1 1 114 114 VAL N N 15 . 5.15 . . 1 . . . . 114 VAL H . 114 VAL N 25652 1 40 1DHN . 1 1 117 117 VAL H H 1 . . 1 1 117 117 VAL N N 15 . -0.36 . . 1 . . . . 117 VAL H . 117 VAL N 25652 1 41 1DHC . 2 2 4 4 A H1' H 1 . . 2 2 4 4 A C1' C 13 . -9.8 . . 1 . . . . 204 RADE H1' . 204 RADE C1' 25652 1 42 1DHC . 2 2 4 4 A H8 H 1 . . 2 2 4 4 A C8 C 13 . 6.5 . . 1 . . . . 204 RADE H8 . 204 RADE C8 25652 1 43 1DHC . 2 2 4 4 A H2 H 1 . . 2 2 4 4 A C2 C 13 . 3.6 . . 1 . . . . 204 RADE H2 . 204 RADE C2 25652 1 44 1DHC . 2 2 5 5 C H1' H 1 . . 2 2 5 5 C C1' C 13 . -9.8 . . 1 . . . . 205 RCYT H1' . 205 RCYT C1' 25652 1 45 1DHC . 2 2 5 5 C H5 H 1 . . 2 2 5 5 C C5 C 13 . 2.7 . . 1 . . . . 205 RCYT H5 . 205 RCYT C5 25652 1 46 1DHC . 2 2 5 5 C H6 H 1 . . 2 2 5 5 C C6 C 13 . 8.3 . . 1 . . . . 205 RCYT H6 . 205 RCYT C6 25652 1 47 1DHC . 2 2 6 6 C H6 H 1 . . 2 2 6 6 C C6 C 13 . 7.3 . . 1 . . . . 206 RCYT H6 . 206 RCYT C6 25652 1 48 1DHC . 2 2 7 7 U H1' H 1 . . 2 2 7 7 U C1' C 13 . -2.9 . . 1 . . . . 207 URA H1' . 207 URA C1' 25652 1 49 1DHC . 2 2 7 7 U H3 H 1 . . 2 2 7 7 U N3 N 15 . -4.6 . . 1 . . . . 207 URA H3 . 207 URA N3 25652 1 50 1DHC . 2 2 7 7 U H5 H 1 . . 2 2 7 7 U C5 C 13 . 7.4 . . 1 . . . . 207 URA H5 . 207 URA C5 25652 1 51 1DHC . 2 2 8 8 G H1' H 1 . . 2 2 8 8 G C1' C 13 . -3.4 . . 1 . . . . 208 RGUA H1' . 208 RGUA C1' 25652 1 52 1DHC . 2 2 8 8 G H8 H 1 . . 2 2 8 8 G C8 C 13 . 4.2 . . 1 . . . . 208 RGUA H8 . 208 RGUA C8 25652 1 53 1DHC . 2 2 9 9 G H1' H 1 . . 2 2 9 9 G C1' C 13 . -3.3 . . 1 . . . . 209 RGUA H1' . 209 RGUA C1' 25652 1 54 1DHC . 2 2 10 10 U H5 H 1 . . 2 2 10 10 U C5 C 13 . 2.4 . . 1 . . . . 210 URA H5 . 210 URA C5 25652 1 55 1DHC . 2 2 10 10 U H6 H 1 . . 2 2 10 10 U C6 C 13 . 7.6 . . 1 . . . . 210 URA H6 . 210 URA C6 25652 1 56 1DHC . 2 2 14 14 U H1' H 1 . . 2 2 14 14 U C1' C 13 . -2.4 . . 1 . . . . 214 URA H1' . 214 URA C1' 25652 1 57 1DHC . 2 2 14 14 U H5 H 1 . . 2 2 14 14 U C5 C 13 . 0.9 . . 1 . . . . 214 URA H5 . 214 URA C5 25652 1 58 1DHC . 2 2 14 14 U H6 H 1 . . 2 2 14 14 U C6 C 13 . 4.2 . . 1 . . . . 214 URA H6 . 214 URA C6 25652 1 59 1DHC . 2 2 15 15 C H5 H 1 . . 2 2 15 15 C C5 C 13 . 6.5 . . 1 . . . . 215 RCYT H5 . 215 RCYT C5 25652 1 60 1DHC . 2 2 15 15 C H6 H 1 . . 2 2 15 15 C C6 C 13 . 5.8 . . 1 . . . . 215 RCYT H6 . 215 RCYT C6 25652 1 61 1DHC . 2 2 16 16 C H5 H 1 . . 2 2 16 16 C C5 C 13 . 8.1 . . 1 . . . . 216 RCYT H5 . 216 RCYT C5 25652 1 62 1DHC . 2 2 17 17 A H8 H 1 . . 2 2 17 17 A C8 C 13 . 4.1 . . 1 . . . . 217 RADE H8 . 217 RADE C8 25652 1 63 1DHC . 2 2 17 17 A H2 H 1 . . 2 2 17 17 A C2 C 13 . 5.6 . . 1 . . . . 217 RADE H2 . 217 RADE C2 25652 1 64 1DHC . 2 2 18 18 G H1 H 1 . . 2 2 18 18 G N1 N 15 . -7.9 . . 1 . . . . 218 RGUA H1 . 218 RGUA N1 25652 1 65 1DHC . 2 2 18 18 G H1' H 1 . . 2 2 18 18 G C1' C 13 . -4.2 . . 1 . . . . 218 RGUA H1' . 218 RGUA C1' 25652 1 66 1DHC . 2 2 19 19 G H1' H 1 . . 2 2 19 19 G C1' C 13 . -4.7 . . 1 . . . . 219 RGUA H1' . 219 RGUA C1' 25652 1 67 1DHC . 2 2 19 19 G H1 H 1 . . 2 2 19 19 G N1 N 15 . -9.5 . . 1 . . . . 219 RGUA H1 . 219 RGUA N1 25652 1 68 1DHC . 2 2 20 20 U H3 H 1 . . 2 2 20 20 U N3 N 15 . -8.2 . . 1 . . . . 220 URA H3 . 220 URA N3 25652 1 69 1DHC . 2 2 20 20 U H1' H 1 . . 2 2 20 20 U C1' C 13 . -3.8 . . 1 . . . . 220 URA H1' . 220 URA C1' 25652 1 70 1DHC . 2 2 21 21 C H5 H 1 . . 2 2 21 21 C C5 C 13 . 6.8 . . 1 . . . . 221 RCYT H5 . 221 RCYT C5 25652 1 stop_ save_