data_25652 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _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 ; _BMRB_accession_number 25652 _BMRB_flat_file_name bmr25652.str _Entry_type original _Submission_date 2015-06-08 _Accession_date 2015-06-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'PTB RRM1 forms an additional C-terminal helix upon binding to an RNA hairpin containing a pyrimidine-rich structured loop.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maris Christophe . . 2 Jayne Sandrine F . 3 Damberger Fred F . 4 Ravindranathan Sapna . . 5 Allain Frederic H.T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count residual_dipolar_couplings 1 assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 869 "13C chemical shifts" 535 "15N chemical shifts" 119 "residual dipolar couplings" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-08 original BMRB . stop_ _Original_release_date 2016-08-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _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 _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maris Christophe . . 2 Jayne Sandrine F . 3 Damberger Fred F . 4 Ravindranathan Sapna . . 5 Allain Frederic H.T. . stop_ _Journal_abbreviation 'To be Published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PTBRRM1-SL23H complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PTBRRM1 $PTBRRM1 "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')" $RNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Complex of PTB RRM1 bound to stemloop RNA containing UCUUU loop sequence.' save_ ######################## # Monomeric polymers # ######################## save_PTBRRM1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTBRRM1 _Molecular_mass 13375.287 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; GNDSKKFKGDSRSAGVPSRV IHIRKLPIDVTEGEVISLGL PFGKVTNLLMLKGKNQAFIE MNTEEAANTMVNYYTSVTPV LRGQPIYIQFSNHKELKTDS SPNQARAQAALQAVNSVQSG NLA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 41 GLY 2 42 ASN 3 43 ASP 4 44 SER 5 45 LYS 6 46 LYS 7 47 PHE 8 48 LYS 9 49 GLY 10 50 ASP 11 51 SER 12 52 ARG 13 53 SER 14 54 ALA 15 55 GLY 16 56 VAL 17 57 PRO 18 58 SER 19 59 ARG 20 60 VAL 21 61 ILE 22 62 HIS 23 63 ILE 24 64 ARG 25 65 LYS 26 66 LEU 27 67 PRO 28 68 ILE 29 69 ASP 30 70 VAL 31 71 THR 32 72 GLU 33 73 GLY 34 74 GLU 35 75 VAL 36 76 ILE 37 77 SER 38 78 LEU 39 79 GLY 40 80 LEU 41 81 PRO 42 82 PHE 43 83 GLY 44 84 LYS 45 85 VAL 46 86 THR 47 87 ASN 48 88 LEU 49 89 LEU 50 90 MET 51 91 LEU 52 92 LYS 53 93 GLY 54 94 LYS 55 95 ASN 56 96 GLN 57 97 ALA 58 98 PHE 59 99 ILE 60 100 GLU 61 101 MET 62 102 ASN 63 103 THR 64 104 GLU 65 105 GLU 66 106 ALA 67 107 ALA 68 108 ASN 69 109 THR 70 110 MET 71 111 VAL 72 112 ASN 73 113 TYR 74 114 TYR 75 115 THR 76 116 SER 77 117 VAL 78 118 THR 79 119 PRO 80 120 VAL 81 121 LEU 82 122 ARG 83 123 GLY 84 124 GLN 85 125 PRO 86 126 ILE 87 127 TYR 88 128 ILE 89 129 GLN 90 130 PHE 91 131 SER 92 132 ASN 93 133 HIS 94 134 LYS 95 135 GLU 96 136 LEU 97 137 LYS 98 138 THR 99 139 ASP 100 140 SER 101 141 SER 102 142 PRO 103 143 ASN 104 144 GLN 105 145 ALA 106 146 ARG 107 147 ALA 108 148 GLN 109 149 ALA 110 150 ALA 111 151 LEU 112 152 GLN 113 153 ALA 114 154 VAL 115 155 ASN 116 156 SER 117 157 VAL 118 158 GLN 119 159 SER 120 160 GLY 121 161 ASN 122 162 LEU 123 163 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP K7ES59 PTBP1 . . . . . stop_ save_ save_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 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') _Molecular_mass 7308.393 _Mol_thiol_state 'not present' _Details . _Residue_count 23 _Mol_residue_sequence ; GGGACCUGGUCUUUCCAGGU CCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 G 3 3 G 4 4 A 5 5 C 6 6 C 7 7 U 8 8 G 9 9 G 10 10 U 11 11 C 12 12 U 13 13 U 14 14 U 15 15 C 16 16 C 17 17 A 18 18 G 19 19 G 20 20 U 21 21 C 22 22 C 23 23 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $PTBRRM1 human . 9606 Eukaryota Metazoa . . PTBP1 $RNA . 00.052.0.04.001 . . . . . EMCV-R stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $PTBRRM1 'recombinant technology' . . . 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. ; $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. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 15N]' $RNA 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 13C; U-99% 15N]' $RNA 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N-PTBRRM1-13C-SL23H-RNA-in-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 15N]' $RNA 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_15N-PTBRRM1-13C-ribose-labeled-U10U12U14-SL23H-RNA-in-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 15N]' $RNA 1 mM '[U-13C; U-15N]-ribose-Ura10,Ura12,Ura14' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 15N]' $RNA 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 13C; U-99% 15N]' $RNA 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_15N-PTBRRM1-unlabeled-SL23H-RNA-Pf1-phage-in-H2O _Saveframe_category sample _Sample_type solution _Details 'Pf1 phage added for orienting macromolecules to obtain RCS. Compared to sample without Pf1 phage.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 15N]' $RNA 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'Pf1 phage' 13 mg/mL 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O _Saveframe_category sample _Sample_type solution _Details 'Pf1 phage added for orienting macromolecules to obtain RCS. Compared to sample without Pf1 phage.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 15N]' $RNA 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'Pf1 phage' 13 mg/mL 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-H2O _Saveframe_category sample _Sample_type solution _Details 'Pf1 phage added for orienting macromolecules to obtain RCS. Compared to sample without Pf1 phage.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 15N]' $RNA 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'Pf1 phage' 13 mg/mL 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N-PTBRRM1-13C15N-SL23H-RNA-in-H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 15N]' $RNA 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N-PTBRRM1-13C-ribose-labeled-G9U11U13C15-SL23H-RNA-in-D2O _Saveframe_category sample _Sample_type solution _Details 'ribose at positions 9,11,13 and 15 are 13C,15N-labeled.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 15N]' $RNA 1 mM '[U-13C; U-15N]-ribose-Cyt9,Ura11,Ura13,Gua15' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_15N-PTBRRM1-13C-labeled-CU-SL23H-RNA-in-D2O _Saveframe_category sample _Sample_type solution _Details 'Only cytosine and uracil nucleotides are uniformly 13C,15N-labeled.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTBRRM1 1 mM '[U-99% 15N]' $RNA 1 mM '[U-13C; U-15N]-Ura7,Ura10,Cyt11,Ura12,Ura13,Ura14,Cyt15,Cyt16,Ura20,Cyt21,Cyt22,Cyt23' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_13C-SL23H-RNA-in-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_unlabeled-SL23H-RNA-in-H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_UNIO-ATNOS-CANDID _Saveframe_category software _Name UNIO/ATNOS-CANDID _Version 10 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html stop_ loop_ _Task 'NOE assignment' 'peak picking' stop_ _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. ; save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . http://www.cyana.org/ stop_ loop_ _Task 'NOE assignment' 'chemical shift assignment' 'structure calculation' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 12 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . http://ambermd.org/ stop_ loop_ _Task 'structure refinement' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version 3.5.4 loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . http://www.ebi.ac.uk/thornton-srv/software/PROCHECK/ stop_ loop_ _Task validation stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version 2K.2 loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . http://www.mol.biol.ethz.ch/groups/wuthrich_group/software stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details cryoprobe-equipped save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryoprobe-equipped save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details cryoprobe-equipped save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details 'RT probehead' save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details cryoprobe-equipped save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_3D_H(C)CH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_3D_(H)CCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_3D_1H-15N_NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_3D_1H-13C_NOESY_aliphatic-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic-HSQC' _Sample_label $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_3D_1H-13C_NOESY_aromatic-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic-HSQC' _Sample_label $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O save_ save_3D_f1-13Cfiltered,f2-13C-edited_NOESY_aliphatic-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' _Sample_label $15N-PTBRRM1-13C-SL23H-RNA-in-D2O save_ save_3D_f1-13Cfiltered,f2-13C-edited_NOESY_aliphatic-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' _Sample_label $15N-PTBRRM1-13C-ribose-labeled-U10U12U14-SL23H-RNA-in-D2O save_ save_2D_f2-13C-filtered_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D f2-13C-filtered NOESY' _Sample_label $15N-PTBRRM1-13C-SL23H-RNA-in-D2O save_ save_3D_aliphatic-HSQC-NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aliphatic-HSQC-NOESY' _Sample_label $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_2D_H2C2_TROSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H2C2 TROSY' _Sample_label $15N-PTBRRM1-13C-SL23H-RNA-in-D2O save_ save_2D_H6C6_TROSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H6C6 TROSY' _Sample_label $15N-PTBRRM1-13C-SL23H-RNA-in-D2O save_ save_2D_H8C8_TROSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H8C8 TROSY' _Sample_label $15N-PTBRRM1-13C-SL23H-RNA-in-D2O save_ save_2D_H2C2_TROSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H2C2 TROSY' _Sample_label $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O save_ save_2D_H6C6_TROSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H6C6 TROSY' _Sample_label $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O save_ save_2D_H8C8_TROSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H8C8 TROSY' _Sample_label $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O save_ save_2D_H5C5_TROSY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H5C5 TROSY' _Sample_label $15N-PTBRRM1-13C-SL23H-RNA-in-D2O save_ save_2D_H1'C1'_TROSY_23 _Saveframe_category NMR_applied_experiment _Experiment_name "2D H1'C1' TROSY" _Sample_label $15N-PTBRRM1-13C-SL23H-RNA-in-D2O save_ save_2D_H5C5_TROSY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H5C5 TROSY' _Sample_label $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O save_ save_2D_H1'C1'_TROSY_25 _Saveframe_category NMR_applied_experiment _Experiment_name "2D H1'C1' TROSY" _Sample_label $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O save_ save_2D_HN_TROSY_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN TROSY' _Sample_label $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_2D_HN_TROSY_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN TROSY' _Sample_label $15N-PTBRRM1-unlabeled-SL23H-RNA-Pf1-phage-in-H2O save_ save_2D_HN_TROSY_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN TROSY' _Sample_label $15N-PTBRRM1-13C15N-SL23H-RNA-in-H2O save_ save_2D_HN_TROSY_29 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN TROSY' _Sample_label $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-H2O save_ save_2D_{1H}15N-NOE_HSQC_30 _Saveframe_category NMR_applied_experiment _Experiment_name '2D {1H}15N-NOE HSQC' _Sample_label $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_2D_1H-1H_NOESY_31 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O save_ save_3D_f1-13Cfiltered,f2-13C-edited_NOESY_aliphatic-HSQC_32 _Saveframe_category NMR_applied_experiment _Experiment_name '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' _Sample_label $15N-PTBRRM1-13C-labeled-CU-SL23H-RNA-in-D2O save_ save_3D_1H-13C_NOESY_aliphatic_33 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $15N-PTBRRM1-13C-labeled-CU-SL23H-RNA-in-D2O save_ save_3D_1H-13C_NOESY_aliphatic_34 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $15N-PTBRRM1-13C-ribose-labeled-U10U12U14-SL23H-RNA-in-D2O save_ save_3D_f1-13Cfiltered,f2-13C-edited_NOESY_aliphatic-HSQC_35 _Saveframe_category NMR_applied_experiment _Experiment_name '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' _Sample_label $15N-PTBRRM1-13C-ribose-labeled-G9U11U13C15-SL23H-RNA-in-D2O save_ save_2D_1H-13C_HSQC_aliphatic_36 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $15N-PTBRRM1-13C-ribose-labeled-U10U12U14-SL23H-RNA-in-D2O save_ save_2D_1H-13C_HSQC_aromatic_37 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $15N-PTBRRM1-13C-SL23H-RNA-in-D2O save_ save_3D_1H-13C_NOESY_aliphatic_38 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $15N-PTBRRM1-13C-SL23H-RNA-in-D2O save_ save_3D_1H-13C_NOESY_aromatic_39 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O save_ save_3D_1H-13C_NOESY_aliphatic_40 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13C-SL23H-RNA-in-D2O save_ save_3D_1H-13C_NOESY_aromatic_41 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C-SL23H-RNA-in-D2O save_ save_2D_1H-13C_HSQC_aliphatic_42 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $15N-PTBRRM1-13C-ribose-labeled-G9U11U13C15-SL23H-RNA-in-D2O save_ save_2D_1H-1H_NOESY_43 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabeled-SL23H-RNA-in-H2O save_ ####################### # Sample conditions # ####################### save_40C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.020 1 M pH 6.5 0.1 pH pressure 1 . atm temperature 313 1 K stop_ save_ save_25C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.020 1 M pH 6.5 0.1 pH pressure 1 . atm temperature 298 1 K stop_ save_ save_5C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.020 1 M pH 6.5 0.1 pH pressure 1 . atm temperature 278 1 K stop_ save_ save_30C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.020 1 M pH 6.5 0.1 pH pressure 1 . atm temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external indirect cylindrical 'separate tube (no insert) not similar to the experimental sample tube' parallel 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct cylindrical 'separate tube (no insert) not similar to the experimental sample tube' parallel 1.00000000 DSS N 15 'methyl protons' ppm 0 external indirect cylindrical 'separate tube (no insert) not similar to the experimental sample tube' parallel 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D 1H-15N NOESY-HSQC' '3D 1H-13C NOESY aliphatic-HSQC' '3D 1H-13C NOESY aromatic-HSQC' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O $15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O stop_ _Sample_conditions_label $40C _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PTBRRM1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 43 3 ASP H H 8.570 0.02 1 2 43 3 ASP HA H 4.685 0.02 1 3 43 3 ASP HB2 H 2.726 0.02 2 4 43 3 ASP HB3 H 2.726 0.02 2 5 43 3 ASP CB C 41.399 0.40 1 6 43 3 ASP N N 121.087 0.40 1 7 44 4 SER HA H 4.431 0.02 1 8 44 4 SER HB2 H 4.000 0.02 2 9 44 4 SER HB3 H 4.000 0.02 2 10 44 4 SER CA C 59.142 0.40 1 11 44 4 SER CB C 63.641 0.40 1 12 45 5 LYS H H 8.244 0.02 1 13 45 5 LYS HA H 4.300 0.02 1 14 45 5 LYS HB2 H 1.783 0.02 2 15 45 5 LYS HB3 H 1.783 0.02 2 16 45 5 LYS HG2 H 1.421 0.02 2 17 45 5 LYS HG3 H 1.498 0.02 2 18 45 5 LYS HD2 H 1.657 0.02 2 19 45 5 LYS HD3 H 1.721 0.02 2 20 45 5 LYS HE2 H 3.008 0.02 2 21 45 5 LYS HE3 H 3.008 0.02 2 22 45 5 LYS CA C 56.486 0.40 1 23 45 5 LYS CB C 33.111 0.40 1 24 45 5 LYS CG C 24.875 0.40 1 25 45 5 LYS CD C 29.251 0.40 1 26 45 5 LYS CE C 42.189 0.40 1 27 45 5 LYS N N 122.562 0.40 1 28 46 6 LYS H H 8.047 0.02 1 29 46 6 LYS HA H 4.306 0.02 1 30 46 6 LYS HB2 H 1.712 0.02 2 31 46 6 LYS HB3 H 1.712 0.02 2 32 46 6 LYS HG2 H 1.341 0.02 2 33 46 6 LYS HG3 H 1.498 0.02 2 34 46 6 LYS HD2 H 1.846 0.02 2 35 46 6 LYS HD3 H 1.737 0.02 2 36 46 6 LYS HE2 H 3.052 0.02 2 37 46 6 LYS HE3 H 3.052 0.02 2 38 46 6 LYS CA C 56.900 0.40 1 39 46 6 LYS CB C 33.124 0.40 1 40 46 6 LYS CG C 24.934 0.40 1 41 46 6 LYS CD C 27.628 0.40 1 42 46 6 LYS CE C 41.769 0.40 1 43 46 6 LYS N N 121.127 0.40 1 44 47 7 PHE H H 8.164 0.02 1 45 47 7 PHE HA H 4.654 0.02 1 46 47 7 PHE HB2 H 3.063 0.02 2 47 47 7 PHE HB3 H 3.148 0.02 2 48 47 7 PHE HD1 H 7.268 0.02 1 49 47 7 PHE HD2 H 7.268 0.02 1 50 47 7 PHE HE1 H 7.332 0.02 1 51 47 7 PHE HE2 H 7.332 0.02 1 52 47 7 PHE HZ H 7.284 0.02 1 53 47 7 PHE CA C 57.787 0.40 1 54 47 7 PHE CB C 39.565 0.40 1 55 47 7 PHE CD1 C 132.027 0.40 1 56 47 7 PHE CE1 C 131.700 0.40 1 57 47 7 PHE CZ C 129.874 0.40 1 58 47 7 PHE N N 120.886 0.40 1 59 48 8 LYS H H 8.210 0.02 1 60 48 8 LYS HA H 4.342 0.02 1 61 48 8 LYS HB2 H 1.920 0.02 2 62 48 8 LYS HB3 H 1.920 0.02 2 63 48 8 LYS HG2 H 1.444 0.02 2 64 48 8 LYS HG3 H 1.444 0.02 2 65 48 8 LYS HD2 H 1.736 0.02 2 66 48 8 LYS HD3 H 1.736 0.02 2 67 48 8 LYS HE2 H 2.974 0.02 2 68 48 8 LYS HE3 H 3.058 0.02 2 69 48 8 LYS CA C 56.796 0.40 1 70 48 8 LYS CB C 32.662 0.40 1 71 48 8 LYS CG C 24.770 0.40 1 72 48 8 LYS CD C 29.063 0.40 1 73 48 8 LYS CE C 42.311 0.40 1 74 48 8 LYS N N 123.526 0.40 1 75 49 9 GLY H H 7.874 0.02 1 76 49 9 GLY HA2 H 3.926 0.02 2 77 49 9 GLY HA3 H 3.926 0.02 2 78 49 9 GLY CA C 45.490 0.40 1 79 49 9 GLY N N 109.273 0.40 1 80 50 10 ASP H H 8.232 0.02 1 81 50 10 ASP HA H 4.692 0.02 1 82 50 10 ASP HB2 H 2.732 0.02 2 83 50 10 ASP HB3 H 2.753 0.02 2 84 50 10 ASP CA C 54.661 0.40 1 85 50 10 ASP CB C 41.523 0.40 1 86 50 10 ASP N N 120.470 0.40 1 87 51 11 SER H H 8.352 0.02 1 88 51 11 SER HA H 4.469 0.02 1 89 51 11 SER HB2 H 3.931 0.02 2 90 51 11 SER HB3 H 3.931 0.02 2 91 51 11 SER CA C 58.951 0.40 1 92 51 11 SER CB C 63.803 0.40 1 93 51 11 SER N N 116.640 0.40 1 94 52 12 ARG H H 8.365 0.02 1 95 52 12 ARG HA H 4.484 0.02 1 96 52 12 ARG HB2 H 1.899 0.02 2 97 52 12 ARG HB3 H 1.899 0.02 2 98 52 12 ARG HG2 H 1.674 0.02 2 99 52 12 ARG HG3 H 1.674 0.02 2 100 52 12 ARG HD2 H 3.226 0.02 2 101 52 12 ARG HD3 H 3.226 0.02 2 102 52 12 ARG CB C 30.781 0.40 1 103 52 12 ARG CG C 27.233 0.40 1 104 52 12 ARG CD C 43.771 0.40 1 105 52 12 ARG N N 122.697 0.40 1 106 53 13 SER H H 8.223 0.02 1 107 53 13 SER HA H 4.514 0.02 1 108 53 13 SER HB2 H 3.931 0.02 2 109 53 13 SER HB3 H 3.931 0.02 2 110 53 13 SER CA C 58.530 0.40 1 111 53 13 SER CB C 63.965 0.40 1 112 53 13 SER N N 116.356 0.40 1 113 54 14 ALA H H 8.299 0.02 1 114 54 14 ALA HA H 4.446 0.02 1 115 54 14 ALA HB H 1.486 0.02 1 116 54 14 ALA CA C 52.866 0.40 1 117 54 14 ALA CB C 19.507 0.40 1 118 54 14 ALA N N 125.938 0.40 1 119 55 15 GLY H H 8.288 0.02 1 120 55 15 GLY HA2 H 4.039 0.02 2 121 55 15 GLY HA3 H 4.039 0.02 2 122 55 15 GLY CA C 45.222 0.40 1 123 55 15 GLY N N 107.428 0.40 1 124 56 16 VAL H H 7.907 0.02 1 125 56 16 VAL HA H 4.325 0.02 1 126 56 16 VAL HB H 1.945 0.02 1 127 56 16 VAL HG1 H 0.933 0.02 2 128 56 16 VAL HG2 H 0.921 0.02 2 129 56 16 VAL CA C 59.819 0.40 1 130 56 16 VAL CB C 32.706 0.40 1 131 56 16 VAL CG1 C 21.082 0.40 1 132 56 16 VAL CG2 C 20.678 0.40 1 133 56 16 VAL N N 120.989 0.40 1 134 57 17 PRO HA H 4.532 0.02 1 135 57 17 PRO HB2 H 1.562 0.02 2 136 57 17 PRO HB3 H 1.759 0.02 2 137 57 17 PRO HG2 H 1.699 0.02 2 138 57 17 PRO HG3 H 1.876 0.02 2 139 57 17 PRO HD2 H 3.371 0.02 2 140 57 17 PRO HD3 H 3.788 0.02 2 141 57 17 PRO CA C 64.641 0.40 1 142 57 17 PRO CB C 32.303 0.40 1 143 57 17 PRO CG C 27.502 0.40 1 144 57 17 PRO CD C 50.861 0.40 1 145 58 18 SER H H 6.755 0.02 1 146 58 18 SER HA H 4.627 0.02 1 147 58 18 SER HB2 H 3.974 0.02 2 148 58 18 SER HB3 H 4.108 0.02 2 149 58 18 SER CA C 55.867 0.40 1 150 58 18 SER CB C 65.207 0.40 1 151 58 18 SER N N 114.115 0.40 1 152 59 19 ARG H H 8.697 0.02 1 153 59 19 ARG HA H 4.302 0.02 1 154 59 19 ARG HB2 H 1.874 0.02 2 155 59 19 ARG HB3 H 2.147 0.02 2 156 59 19 ARG HG2 H 1.776 0.02 2 157 59 19 ARG HG3 H 1.776 0.02 2 158 59 19 ARG HD2 H 3.284 0.02 2 159 59 19 ARG HD3 H 3.284 0.02 2 160 59 19 ARG HE H 7.304 0.02 1 161 59 19 ARG CA C 57.805 0.40 1 162 59 19 ARG CB C 31.074 0.40 1 163 59 19 ARG CG C 28.028 0.40 1 164 59 19 ARG CD C 44.005 0.40 1 165 59 19 ARG N N 119.824 0.40 1 166 59 19 ARG NE N 84.404 0.40 1 167 60 20 VAL H H 8.803 0.02 1 168 60 20 VAL HA H 4.869 0.02 1 169 60 20 VAL HB H 2.330 0.02 1 170 60 20 VAL HG1 H 0.666 0.02 2 171 60 20 VAL HG2 H 0.974 0.02 2 172 60 20 VAL CA C 61.650 0.40 1 173 60 20 VAL CB C 32.124 0.40 1 174 60 20 VAL CG1 C 22.261 0.40 1 175 60 20 VAL CG2 C 23.007 0.40 1 176 60 20 VAL N N 119.347 0.40 1 177 61 21 ILE H H 9.495 0.02 1 178 61 21 ILE HA H 4.588 0.02 1 179 61 21 ILE HB H 1.925 0.02 1 180 61 21 ILE HG12 H 1.267 0.02 2 181 61 21 ILE HG13 H 1.576 0.02 2 182 61 21 ILE HG2 H 0.796 0.02 1 183 61 21 ILE HD1 H 0.844 0.02 1 184 61 21 ILE CA C 59.142 0.40 1 185 61 21 ILE CB C 40.346 0.40 1 186 61 21 ILE CG1 C 27.920 0.40 1 187 61 21 ILE CG2 C 19.045 0.40 1 188 61 21 ILE CD1 C 14.031 0.40 1 189 61 21 ILE N N 129.046 0.40 1 190 62 22 HIS H H 9.304 0.02 1 191 62 22 HIS HA H 5.024 0.02 1 192 62 22 HIS HB2 H 2.848 0.02 2 193 62 22 HIS HB3 H 2.848 0.02 2 194 62 22 HIS HD2 H 5.961 0.02 1 195 62 22 HIS CB C 34.318 0.40 1 196 62 22 HIS CD2 C 116.538 0.40 1 197 62 22 HIS N N 128.103 0.40 1 198 63 23 ILE H H 8.587 0.02 1 199 63 23 ILE HA H 4.783 0.02 1 200 63 23 ILE HB H 1.365 0.02 1 201 63 23 ILE HG12 H 1.254 0.02 2 202 63 23 ILE HG13 H 1.397 0.02 2 203 63 23 ILE HG2 H 0.692 0.02 1 204 63 23 ILE HD1 H 0.601 0.02 1 205 63 23 ILE CA C 59.605 0.40 1 206 63 23 ILE CB C 40.247 0.40 1 207 63 23 ILE CG1 C 27.572 0.40 1 208 63 23 ILE CG2 C 19.264 0.40 1 209 63 23 ILE CD1 C 14.557 0.40 1 210 63 23 ILE N N 127.360 0.40 1 211 64 24 ARG H H 8.607 0.02 1 212 64 24 ARG HA H 4.866 0.02 1 213 64 24 ARG HB2 H 1.508 0.02 2 214 64 24 ARG HB3 H 1.714 0.02 2 215 64 24 ARG HG2 H 1.118 0.02 2 216 64 24 ARG HG3 H 1.118 0.02 2 217 64 24 ARG HD2 H 2.844 0.02 2 218 64 24 ARG HD3 H 2.960 0.02 2 219 64 24 ARG CA C 53.976 0.40 1 220 64 24 ARG CB C 34.097 0.40 1 221 64 24 ARG CG C 27.934 0.40 1 222 64 24 ARG CD C 43.468 0.40 1 223 64 24 ARG N N 122.183 0.40 1 224 65 25 LYS H H 8.468 0.02 1 225 65 25 LYS HA H 3.837 0.02 1 226 65 25 LYS HB2 H 2.229 0.02 2 227 65 25 LYS HB3 H 2.229 0.02 2 228 65 25 LYS HG2 H 1.425 0.02 2 229 65 25 LYS HG3 H 1.425 0.02 2 230 65 25 LYS HD2 H 1.647 0.02 2 231 65 25 LYS HD3 H 1.783 0.02 2 232 65 25 LYS HE2 H 2.958 0.02 2 233 65 25 LYS HE3 H 2.958 0.02 2 234 65 25 LYS CA C 56.689 0.40 1 235 65 25 LYS CB C 29.283 0.40 1 236 65 25 LYS CG C 25.756 0.40 1 237 65 25 LYS CD C 29.073 0.40 1 238 65 25 LYS CE C 41.680 0.40 1 239 65 25 LYS N N 114.245 0.40 1 240 66 26 LEU H H 7.784 0.02 1 241 66 26 LEU HA H 4.104 0.02 1 242 66 26 LEU HB2 H 1.171 0.02 2 243 66 26 LEU HB3 H 1.171 0.02 2 244 66 26 LEU HD1 H 0.510 0.02 2 245 66 26 LEU HD2 H 0.675 0.02 2 246 66 26 LEU CA C 53.570 0.40 1 247 66 26 LEU CB C 41.907 0.40 1 248 66 26 LEU CD1 C 26.331 0.40 1 249 66 26 LEU CD2 C 24.873 0.40 1 250 66 26 LEU N N 115.973 0.40 1 251 67 27 PRO HA H 4.517 0.02 1 252 67 27 PRO HB2 H 1.901 0.02 2 253 67 27 PRO HB3 H 2.392 0.02 2 254 67 27 PRO HG2 H 1.744 0.02 2 255 67 27 PRO HG3 H 1.957 0.02 2 256 67 27 PRO HD2 H 3.219 0.02 2 257 67 27 PRO HD3 H 3.718 0.02 2 258 67 27 PRO CA C 62.355 0.40 1 259 67 27 PRO CG C 27.384 0.40 1 260 67 27 PRO CD C 49.875 0.40 1 261 68 28 ILE H H 8.387 0.02 1 262 68 28 ILE HA H 3.922 0.02 1 263 68 28 ILE HB H 1.903 0.02 1 264 68 28 ILE HG12 H 1.328 0.02 2 265 68 28 ILE HG13 H 1.530 0.02 2 266 68 28 ILE HG2 H 1.001 0.02 1 267 68 28 ILE HD1 H 0.983 0.02 1 268 68 28 ILE CA C 63.187 0.40 1 269 68 28 ILE CB C 38.439 0.40 1 270 68 28 ILE CG1 C 28.035 0.40 1 271 68 28 ILE CG2 C 17.617 0.40 1 272 68 28 ILE CD1 C 13.784 0.40 1 273 68 28 ILE N N 121.007 0.40 1 274 69 29 ASP H H 8.363 0.02 1 275 69 29 ASP HA H 4.578 0.02 1 276 69 29 ASP HB2 H 2.679 0.02 2 277 69 29 ASP HB3 H 2.886 0.02 2 278 69 29 ASP CA C 53.588 0.40 1 279 69 29 ASP CB C 39.613 0.40 1 280 69 29 ASP N N 117.859 0.40 1 281 70 30 VAL H H 7.002 0.02 1 282 70 30 VAL HA H 4.051 0.02 1 283 70 30 VAL HB H 2.042 0.02 1 284 70 30 VAL HG1 H 0.793 0.02 2 285 70 30 VAL HG2 H 1.098 0.02 2 286 70 30 VAL CA C 62.118 0.40 1 287 70 30 VAL CB C 32.002 0.40 1 288 70 30 VAL CG1 C 20.915 0.40 1 289 70 30 VAL CG2 C 23.257 0.40 1 290 70 30 VAL N N 117.787 0.40 1 291 71 31 THR H H 8.138 0.02 1 292 71 31 THR HA H 4.700 0.02 1 293 71 31 THR HB H 4.623 0.02 1 294 71 31 THR HG2 H 1.323 0.02 1 295 71 31 THR CA C 60.279 0.40 1 296 71 31 THR CB C 72.639 0.40 1 297 71 31 THR CG2 C 21.905 0.40 1 298 71 31 THR N N 115.673 0.40 1 299 72 32 GLU H H 9.653 0.02 1 300 72 32 GLU HA H 3.951 0.02 1 301 72 32 GLU HB2 H 1.718 0.02 2 302 72 32 GLU HB3 H 2.111 0.02 2 303 72 32 GLU HG2 H 2.455 0.02 2 304 72 32 GLU HG3 H 2.363 0.02 2 305 72 32 GLU CA C 61.505 0.40 1 306 72 32 GLU CB C 29.110 0.40 1 307 72 32 GLU CG C 37.924 0.40 1 308 72 32 GLU N N 121.506 0.40 1 309 73 33 GLY H H 8.802 0.02 1 310 73 33 GLY HA2 H 3.756 0.02 2 311 73 33 GLY HA3 H 3.958 0.02 2 312 73 33 GLY CA C 47.190 0.40 1 313 73 33 GLY N N 104.499 0.40 1 314 74 34 GLU H H 7.631 0.02 1 315 74 34 GLU HA H 4.021 0.02 1 316 74 34 GLU HB2 H 1.957 0.02 2 317 74 34 GLU HB3 H 2.416 0.02 2 318 74 34 GLU HG2 H 2.297 0.02 2 319 74 34 GLU HG3 H 2.297 0.02 2 320 74 34 GLU CA C 59.269 0.40 1 321 74 34 GLU CB C 30.860 0.40 1 322 74 34 GLU CG C 38.339 0.40 1 323 74 34 GLU N N 121.341 0.40 1 324 75 35 VAL H H 7.454 0.02 1 325 75 35 VAL HA H 3.503 0.02 1 326 75 35 VAL HB H 2.127 0.02 1 327 75 35 VAL HG1 H 0.706 0.02 2 328 75 35 VAL HG2 H 0.876 0.02 2 329 75 35 VAL CA C 66.940 0.40 1 330 75 35 VAL CB C 31.332 0.40 1 331 75 35 VAL CG1 C 22.721 0.40 1 332 75 35 VAL CG2 C 24.081 0.40 1 333 75 35 VAL N N 119.029 0.40 1 334 76 36 ILE H H 8.381 0.02 1 335 76 36 ILE HA H 3.591 0.02 1 336 76 36 ILE HB H 1.894 0.02 1 337 76 36 ILE HG12 H 1.867 0.02 2 338 76 36 ILE HG13 H 0.993 0.02 2 339 76 36 ILE HG2 H 1.000 0.02 1 340 76 36 ILE HD1 H 0.820 0.02 1 341 76 36 ILE CA C 66.091 0.40 1 342 76 36 ILE CB C 38.465 0.40 1 343 76 36 ILE CG1 C 30.694 0.40 1 344 76 36 ILE CG2 C 17.609 0.40 1 345 76 36 ILE CD1 C 14.424 0.40 1 346 76 36 ILE N N 118.098 0.40 1 347 77 37 SER H H 7.890 0.02 1 348 77 37 SER HA H 4.101 0.02 1 349 77 37 SER HB2 H 4.083 0.02 2 350 77 37 SER HB3 H 4.083 0.02 2 351 77 37 SER CA C 62.431 0.40 1 352 77 37 SER CB C 63.006 0.40 1 353 77 37 SER N N 113.730 0.40 1 354 78 38 LEU H H 7.518 0.02 1 355 78 38 LEU HA H 4.342 0.02 1 356 78 38 LEU HB2 H 1.284 0.02 2 357 78 38 LEU HB3 H 2.012 0.02 2 358 78 38 LEU HG H 1.995 0.02 1 359 78 38 LEU HD1 H 0.754 0.02 2 360 78 38 LEU HD2 H 0.759 0.02 2 361 78 38 LEU CA C 56.973 0.40 1 362 78 38 LEU CB C 42.811 0.40 1 363 78 38 LEU CG C 26.450 0.40 1 364 78 38 LEU CD1 C 26.306 0.40 1 365 78 38 LEU CD2 C 22.229 0.40 1 366 78 38 LEU N N 119.724 0.40 1 367 79 39 GLY H H 7.949 0.02 1 368 79 39 GLY HA2 H 3.482 0.02 2 369 79 39 GLY HA3 H 5.081 0.02 2 370 79 39 GLY CA C 46.081 0.40 1 371 79 39 GLY N N 102.110 0.40 1 372 80 40 LEU H H 7.163 0.02 1 373 80 40 LEU HA H 4.661 0.02 1 374 80 40 LEU HB2 H 1.609 0.02 2 375 80 40 LEU HB3 H 1.872 0.02 2 376 80 40 LEU HG H 1.949 0.02 1 377 80 40 LEU HD1 H 1.006 0.02 2 378 80 40 LEU HD2 H 0.989 0.02 2 379 80 40 LEU CA C 57.847 0.40 1 380 80 40 LEU CB C 40.388 0.40 1 381 80 40 LEU CG C 26.184 0.40 1 382 80 40 LEU CD1 C 25.483 0.40 1 383 80 40 LEU CD2 C 22.637 0.40 1 384 80 40 LEU N N 119.851 0.40 1 385 81 41 PRO HA H 4.127 0.02 1 386 81 41 PRO HB2 H -0.001 0.02 2 387 81 41 PRO HB3 H 1.805 0.02 2 388 81 41 PRO HG2 H 2.229 0.02 2 389 81 41 PRO HG3 H 1.731 0.02 2 390 81 41 PRO HD2 H 3.159 0.02 2 391 81 41 PRO HD3 H 3.833 0.02 2 392 81 41 PRO CA C 64.817 0.40 1 393 81 41 PRO CB C 30.745 0.40 1 394 81 41 PRO CG C 28.928 0.40 1 395 81 41 PRO CD C 51.309 0.40 1 396 82 42 PHE H H 7.780 0.02 1 397 82 42 PHE HA H 4.491 0.02 1 398 82 42 PHE HB2 H 3.529 0.02 2 399 82 42 PHE HB3 H 2.790 0.02 2 400 82 42 PHE HD1 H 7.305 0.02 1 401 82 42 PHE HD2 H 7.305 0.02 1 402 82 42 PHE HE1 H 7.150 0.02 1 403 82 42 PHE HE2 H 7.150 0.02 1 404 82 42 PHE HZ H 6.169 0.02 1 405 82 42 PHE CA C 58.225 0.40 1 406 82 42 PHE CB C 40.814 0.40 1 407 82 42 PHE CD2 C 131.864 0.40 1 408 82 42 PHE CE2 C 131.430 0.40 1 409 82 42 PHE CZ C 129.709 0.40 1 410 82 42 PHE N N 112.312 0.40 1 411 83 43 GLY H H 7.619 0.02 1 412 83 43 GLY HA2 H 4.027 0.02 2 413 83 43 GLY HA3 H 4.053 0.02 2 414 83 43 GLY CA C 45.626 0.40 1 415 83 43 GLY N N 106.373 0.40 1 416 84 44 LYS H H 7.477 0.02 1 417 84 44 LYS HA H 4.495 0.02 1 418 84 44 LYS HB2 H 1.592 0.02 2 419 84 44 LYS HB3 H 1.673 0.02 2 420 84 44 LYS HG2 H 1.289 0.02 2 421 84 44 LYS HG3 H 1.486 0.02 2 422 84 44 LYS HD2 H 1.641 0.02 2 423 84 44 LYS HD3 H 1.641 0.02 2 424 84 44 LYS HE2 H 3.009 0.02 2 425 84 44 LYS HE3 H 3.009 0.02 2 426 84 44 LYS CA C 55.108 0.40 1 427 84 44 LYS CB C 34.061 0.40 1 428 84 44 LYS CG C 24.950 0.40 1 429 84 44 LYS CD C 29.270 0.40 1 430 84 44 LYS CE C 42.313 0.40 1 431 84 44 LYS N N 118.665 0.40 1 432 85 45 VAL H H 8.229 0.02 1 433 85 45 VAL HA H 4.669 0.02 1 434 85 45 VAL HB H 2.038 0.02 1 435 85 45 VAL HG1 H 1.038 0.02 2 436 85 45 VAL HG2 H 1.163 0.02 2 437 85 45 VAL CA C 61.950 0.40 1 438 85 45 VAL CB C 32.297 0.40 1 439 85 45 VAL CG1 C 22.353 0.40 1 440 85 45 VAL CG2 C 21.002 0.40 1 441 85 45 VAL N N 126.117 0.40 1 442 86 46 THR H H 9.217 0.02 1 443 86 46 THR HA H 4.322 0.02 1 444 86 46 THR HB H 4.254 0.02 1 445 86 46 THR HG2 H 1.087 0.02 1 446 86 46 THR CA C 62.949 0.40 1 447 86 46 THR CB C 68.640 0.40 1 448 86 46 THR CG2 C 22.589 0.40 1 449 86 46 THR N N 119.090 0.40 1 450 87 47 ASN H H 7.933 0.02 1 451 87 47 ASN HA H 4.837 0.02 1 452 87 47 ASN HB2 H 2.420 0.02 2 453 87 47 ASN HB3 H 2.990 0.02 2 454 87 47 ASN HD21 H 6.969 0.02 2 455 87 47 ASN HD22 H 7.888 0.02 2 456 87 47 ASN CA C 52.570 0.40 1 457 87 47 ASN CB C 41.273 0.40 1 458 87 47 ASN N N 117.616 0.40 1 459 87 47 ASN ND2 N 111.538 0.40 1 460 88 48 LEU H H 8.571 0.02 1 461 88 48 LEU HA H 4.994 0.02 1 462 88 48 LEU HB2 H 1.493 0.02 2 463 88 48 LEU HB3 H 1.637 0.02 2 464 88 48 LEU HG H 1.488 0.02 1 465 88 48 LEU HD1 H 0.925 0.02 2 466 88 48 LEU HD2 H 0.933 0.02 2 467 88 48 LEU CA C 54.684 0.40 1 468 88 48 LEU CB C 46.206 0.40 1 469 88 48 LEU CG C 27.686 0.40 1 470 88 48 LEU CD1 C 25.331 0.40 1 471 88 48 LEU CD2 C 26.858 0.40 1 472 88 48 LEU N N 121.922 0.40 1 473 89 49 LEU H H 8.868 0.02 1 474 89 49 LEU HA H 4.831 0.02 1 475 89 49 LEU HB2 H 1.286 0.02 2 476 89 49 LEU HB3 H 1.801 0.02 2 477 89 49 LEU HG H 1.461 0.02 1 478 89 49 LEU HD1 H 0.593 0.02 2 479 89 49 LEU HD2 H 0.905 0.02 2 480 89 49 LEU CA C 54.525 0.40 1 481 89 49 LEU CB C 45.934 0.40 1 482 89 49 LEU CG C 27.884 0.40 1 483 89 49 LEU CD1 C 25.293 0.40 1 484 89 49 LEU CD2 C 23.709 0.40 1 485 89 49 LEU N N 125.206 0.40 1 486 90 50 MET H H 9.340 0.02 1 487 90 50 MET HA H 4.774 0.02 1 488 90 50 MET HB2 H 2.093 0.02 2 489 90 50 MET HB3 H 2.093 0.02 2 490 90 50 MET HG2 H 2.445 0.02 2 491 90 50 MET HG3 H 2.683 0.02 2 492 90 50 MET HE H 1.845 0.02 1 493 90 50 MET CA C 54.733 0.40 1 494 90 50 MET CB C 33.348 0.40 1 495 90 50 MET CG C 32.165 0.40 1 496 90 50 MET CE C 17.057 0.40 1 497 90 50 MET N N 126.444 0.40 1 498 91 51 LEU H H 8.395 0.02 1 499 91 51 LEU HA H 4.759 0.02 1 500 91 51 LEU HB2 H 1.315 0.02 2 501 91 51 LEU HB3 H 1.631 0.02 2 502 91 51 LEU HG H 1.460 0.02 1 503 91 51 LEU HD1 H 0.851 0.02 2 504 91 51 LEU HD2 H 0.849 0.02 2 505 91 51 LEU CA C 52.898 0.40 1 506 91 51 LEU CB C 40.799 0.40 1 507 91 51 LEU CG C 27.377 0.40 1 508 91 51 LEU CD1 C 25.712 0.40 1 509 91 51 LEU CD2 C 23.734 0.40 1 510 91 51 LEU N N 126.055 0.40 1 511 92 52 LYS H H 8.366 0.02 1 512 92 52 LYS HA H 4.109 0.02 1 513 92 52 LYS HB2 H 1.896 0.02 2 514 92 52 LYS HB3 H 1.896 0.02 2 515 92 52 LYS HG2 H 1.484 0.02 2 516 92 52 LYS HG3 H 1.620 0.02 2 517 92 52 LYS HD2 H 1.845 0.02 2 518 92 52 LYS HD3 H 1.845 0.02 2 519 92 52 LYS HE2 H 3.039 0.02 2 520 92 52 LYS HE3 H 3.039 0.02 2 521 92 52 LYS CA C 59.587 0.40 1 522 92 52 LYS CB C 32.239 0.40 1 523 92 52 LYS CG C 25.392 0.40 1 524 92 52 LYS CD C 29.252 0.40 1 525 92 52 LYS CE C 42.219 0.40 1 526 92 52 LYS N N 124.396 0.40 1 527 93 53 GLY H H 8.939 0.02 1 528 93 53 GLY HA2 H 4.077 0.02 2 529 93 53 GLY HA3 H 3.909 0.02 2 530 93 53 GLY CA C 45.968 0.40 1 531 93 53 GLY N N 108.853 0.40 1 532 94 54 LYS H H 7.354 0.02 1 533 94 54 LYS HA H 4.499 0.02 1 534 94 54 LYS HB2 H 1.492 0.02 2 535 94 54 LYS HB3 H 1.985 0.02 2 536 94 54 LYS HG2 H 1.397 0.02 2 537 94 54 LYS HG3 H 1.397 0.02 2 538 94 54 LYS HD2 H 1.621 0.02 2 539 94 54 LYS HD3 H 1.621 0.02 2 540 94 54 LYS HE2 H 2.997 0.02 2 541 94 54 LYS HE3 H 2.997 0.02 2 542 94 54 LYS CA C 54.376 0.40 1 543 94 54 LYS CB C 33.466 0.40 1 544 94 54 LYS CG C 24.833 0.40 1 545 94 54 LYS CD C 28.740 0.40 1 546 94 54 LYS CE C 42.245 0.40 1 547 94 54 LYS N N 115.629 0.40 1 548 95 55 ASN H H 8.106 0.02 1 549 95 55 ASN HA H 4.482 0.02 1 550 95 55 ASN HB2 H 3.075 0.02 2 551 95 55 ASN HB3 H 3.279 0.02 2 552 95 55 ASN CA C 54.504 0.40 1 553 95 55 ASN CB C 37.098 0.40 1 554 95 55 ASN N N 115.799 0.40 1 555 96 56 GLN H H 7.354 0.02 1 556 96 56 GLN HA H 5.210 0.02 1 557 96 56 GLN HB2 H 1.599 0.02 2 558 96 56 GLN HB3 H 1.985 0.02 2 559 96 56 GLN HG2 H 2.272 0.02 2 560 96 56 GLN HG3 H 2.513 0.02 2 561 96 56 GLN CB C 35.874 0.40 1 562 96 56 GLN CG C 34.380 0.40 1 563 96 56 GLN N N 113.336 0.40 1 564 97 57 ALA H H 8.647 0.02 1 565 97 57 ALA HA H 4.925 0.02 1 566 97 57 ALA HB H 1.288 0.02 1 567 97 57 ALA CA C 51.566 0.40 1 568 97 57 ALA CB C 24.215 0.40 1 569 97 57 ALA N N 119.398 0.40 1 570 98 58 PHE H H 9.084 0.02 1 571 98 58 PHE HA H 5.837 0.02 1 572 98 58 PHE HB2 H 2.782 0.02 2 573 98 58 PHE HB3 H 2.786 0.02 2 574 98 58 PHE HD1 H 7.079 0.02 1 575 98 58 PHE HD2 H 7.079 0.02 1 576 98 58 PHE HE1 H 7.410 0.02 1 577 98 58 PHE HE2 H 7.410 0.02 1 578 98 58 PHE HZ H 7.256 0.02 1 579 98 58 PHE CA C 55.795 0.40 1 580 98 58 PHE CB C 43.495 0.40 1 581 98 58 PHE CD1 C 131.394 0.40 1 582 98 58 PHE CE1 C 131.772 0.40 1 583 98 58 PHE CZ C 128.584 0.40 1 584 98 58 PHE N N 116.037 0.40 1 585 99 59 ILE H H 9.122 0.02 1 586 99 59 ILE HA H 4.764 0.02 1 587 99 59 ILE HB H 1.674 0.02 1 588 99 59 ILE HG12 H 1.591 0.02 2 589 99 59 ILE HG13 H 0.964 0.02 2 590 99 59 ILE HG2 H 0.911 0.02 1 591 99 59 ILE HD1 H 0.734 0.02 1 592 99 59 ILE CA C 60.096 0.40 1 593 99 59 ILE CB C 42.405 0.40 1 594 99 59 ILE CG1 C 27.457 0.40 1 595 99 59 ILE CG2 C 18.468 0.40 1 596 99 59 ILE CD1 C 14.321 0.40 1 597 99 59 ILE N N 118.305 0.40 1 598 100 60 GLU H H 8.492 0.02 1 599 100 60 GLU HA H 5.036 0.02 1 600 100 60 GLU HB2 H 2.103 0.02 2 601 100 60 GLU HB3 H 1.653 0.02 2 602 100 60 GLU HG2 H 1.944 0.02 2 603 100 60 GLU HG3 H 2.289 0.02 2 604 100 60 GLU CA C 54.651 0.40 1 605 100 60 GLU CB C 33.823 0.40 1 606 100 60 GLU CG C 37.585 0.40 1 607 100 60 GLU N N 127.259 0.40 1 608 101 61 MET H H 8.879 0.02 1 609 101 61 MET HA H 5.744 0.02 1 610 101 61 MET HB2 H 2.407 0.02 2 611 101 61 MET HB3 H 2.671 0.02 2 612 101 61 MET HG2 H 2.303 0.02 2 613 101 61 MET HG3 H 2.303 0.02 2 614 101 61 MET HE H 1.938 0.02 1 615 101 61 MET CA C 52.032 0.40 1 616 101 61 MET CB C 32.623 0.40 1 617 101 61 MET CG C 32.131 0.40 1 618 101 61 MET CE C 16.125 0.40 1 619 101 61 MET N N 123.186 0.40 1 620 102 62 ASN H H 9.131 0.02 1 621 102 62 ASN HA H 4.392 0.02 1 622 102 62 ASN HB2 H 2.864 0.02 2 623 102 62 ASN HB3 H 3.017 0.02 2 624 102 62 ASN HD21 H 7.883 0.02 2 625 102 62 ASN HD22 H 7.230 0.02 2 626 102 62 ASN CA C 56.592 0.40 1 627 102 62 ASN CB C 37.748 0.40 1 628 102 62 ASN N N 116.695 0.40 1 629 102 62 ASN ND2 N 115.030 0.40 1 630 103 63 THR H H 7.326 0.02 1 631 103 63 THR HA H 4.817 0.02 1 632 103 63 THR HB H 4.811 0.02 1 633 103 63 THR HG2 H 1.346 0.02 1 634 103 63 THR CA C 58.908 0.40 1 635 103 63 THR CB C 72.994 0.40 1 636 103 63 THR CG2 C 21.969 0.40 1 637 103 63 THR N N 104.623 0.40 1 638 104 64 GLU H H 9.370 0.02 1 639 104 64 GLU HA H 3.933 0.02 1 640 104 64 GLU HB2 H 1.980 0.02 2 641 104 64 GLU HB3 H 2.106 0.02 2 642 104 64 GLU HG2 H 2.253 0.02 2 643 104 64 GLU HG3 H 2.411 0.02 2 644 104 64 GLU CA C 60.193 0.40 1 645 104 64 GLU CB C 29.434 0.40 1 646 104 64 GLU CG C 37.301 0.40 1 647 104 64 GLU N N 122.574 0.40 1 648 105 65 GLU H H 8.726 0.02 1 649 105 65 GLU HA H 4.203 0.02 1 650 105 65 GLU HB2 H 2.093 0.02 2 651 105 65 GLU HB3 H 2.228 0.02 2 652 105 65 GLU HG2 H 2.414 0.02 2 653 105 65 GLU HG3 H 2.438 0.02 2 654 105 65 GLU CA C 60.277 0.40 1 655 105 65 GLU CB C 29.233 0.40 1 656 105 65 GLU CG C 36.703 0.40 1 657 105 65 GLU N N 120.124 0.40 1 658 106 66 ALA H H 8.367 0.02 1 659 106 66 ALA HA H 4.282 0.02 1 660 106 66 ALA HB H 1.649 0.02 1 661 106 66 ALA CA C 55.261 0.40 1 662 106 66 ALA CB C 19.789 0.40 1 663 106 66 ALA N N 124.279 0.40 1 664 107 67 ALA H H 7.457 0.02 1 665 107 67 ALA HA H 4.071 0.02 1 666 107 67 ALA HB H 1.839 0.02 1 667 107 67 ALA CA C 55.747 0.40 1 668 107 67 ALA CB C 19.544 0.40 1 669 107 67 ALA N N 118.758 0.40 1 670 108 68 ASN H H 8.988 0.02 1 671 108 68 ASN HA H 4.725 0.02 1 672 108 68 ASN HB2 H 3.030 0.02 2 673 108 68 ASN HB3 H 3.033 0.02 2 674 108 68 ASN HD21 H 7.707 0.02 2 675 108 68 ASN HD22 H 6.959 0.02 2 676 108 68 ASN CB C 39.644 0.40 1 677 108 68 ASN N N 116.774 0.40 1 678 108 68 ASN ND2 N 112.801 0.40 1 679 109 69 THR H H 8.602 0.02 1 680 109 69 THR HA H 3.959 0.02 1 681 109 69 THR HB H 4.486 0.02 1 682 109 69 THR HG2 H 1.518 0.02 1 683 109 69 THR CA C 66.836 0.40 1 684 109 69 THR CB C 68.762 0.40 1 685 109 69 THR CG2 C 22.473 0.40 1 686 109 69 THR N N 116.907 0.40 1 687 110 70 MET H H 7.807 0.02 1 688 110 70 MET HA H 2.229 0.02 1 689 110 70 MET HB2 H 1.502 0.02 2 690 110 70 MET HB3 H 2.157 0.02 2 691 110 70 MET HG2 H 2.080 0.02 2 692 110 70 MET HG3 H 2.474 0.02 2 693 110 70 MET HE H 1.971 0.02 1 694 110 70 MET CA C 59.188 0.40 1 695 110 70 MET CB C 32.869 0.40 1 696 110 70 MET CG C 33.031 0.40 1 697 110 70 MET CE C 18.167 0.40 1 698 110 70 MET N N 123.180 0.40 1 699 111 71 VAL H H 8.292 0.02 1 700 111 71 VAL HA H 3.315 0.02 1 701 111 71 VAL HB H 1.609 0.02 1 702 111 71 VAL HG1 H 0.184 0.02 2 703 111 71 VAL HG2 H 0.494 0.02 2 704 111 71 VAL CA C 67.388 0.40 1 705 111 71 VAL CB C 31.339 0.40 1 706 111 71 VAL CG1 C 23.646 0.40 1 707 111 71 VAL CG2 C 20.938 0.40 1 708 111 71 VAL N N 118.497 0.40 1 709 112 72 ASN H H 8.346 0.02 1 710 112 72 ASN HA H 4.395 0.02 1 711 112 72 ASN HB2 H 2.796 0.02 2 712 112 72 ASN HB3 H 2.966 0.02 2 713 112 72 ASN HD21 H 7.609 0.02 2 714 112 72 ASN HD22 H 6.905 0.02 2 715 112 72 ASN CA C 56.745 0.40 1 716 112 72 ASN CB C 38.347 0.40 1 717 112 72 ASN N N 118.524 0.40 1 718 112 72 ASN ND2 N 112.255 0.40 1 719 113 73 TYR H H 8.316 0.02 1 720 113 73 TYR HA H 4.102 0.02 1 721 113 73 TYR HB2 H 2.617 0.02 2 722 113 73 TYR HB3 H 3.009 0.02 2 723 113 73 TYR HD1 H 6.370 0.02 1 724 113 73 TYR HD2 H 6.370 0.02 1 725 113 73 TYR HE1 H 6.713 0.02 1 726 113 73 TYR HE2 H 6.713 0.02 1 727 113 73 TYR CA C 62.422 0.40 1 728 113 73 TYR CB C 38.682 0.40 1 729 113 73 TYR CD2 C 133.509 0.40 1 730 113 73 TYR CE2 C 117.935 0.40 1 731 113 73 TYR N N 123.463 0.40 1 732 114 74 TYR H H 7.899 0.02 1 733 114 74 TYR HA H 5.264 0.02 1 734 114 74 TYR HB2 H 2.662 0.02 2 735 114 74 TYR HB3 H 3.461 0.02 2 736 114 74 TYR HD1 H 7.255 0.02 1 737 114 74 TYR HD2 H 7.255 0.02 1 738 114 74 TYR HE1 H 7.047 0.02 1 739 114 74 TYR HE2 H 7.047 0.02 1 740 114 74 TYR CA C 59.510 0.40 1 741 114 74 TYR CB C 37.319 0.40 1 742 114 74 TYR CD1 C 133.642 0.40 1 743 114 74 TYR CE1 C 117.493 0.40 1 744 114 74 TYR N N 116.024 0.40 1 745 115 75 THR H H 7.654 0.02 1 746 115 75 THR HA H 4.379 0.02 1 747 115 75 THR HB H 4.408 0.02 1 748 115 75 THR HG2 H 1.375 0.02 1 749 115 75 THR CA C 65.104 0.40 1 750 115 75 THR CB C 69.450 0.40 1 751 115 75 THR CG2 C 21.332 0.40 1 752 115 75 THR N N 113.313 0.40 1 753 116 76 SER H H 7.377 0.02 1 754 116 76 SER HA H 4.577 0.02 1 755 116 76 SER HB2 H 3.901 0.02 2 756 116 76 SER HB3 H 3.922 0.02 2 757 116 76 SER CA C 59.658 0.40 1 758 116 76 SER CB C 64.422 0.40 1 759 116 76 SER N N 116.083 0.40 1 760 117 77 VAL H H 7.710 0.02 1 761 117 77 VAL HA H 4.154 0.02 1 762 117 77 VAL HB H 1.598 0.02 1 763 117 77 VAL HG1 H 0.585 0.02 2 764 117 77 VAL HG2 H 0.861 0.02 2 765 117 77 VAL CA C 61.222 0.40 1 766 117 77 VAL CB C 33.310 0.40 1 767 117 77 VAL CG1 C 20.407 0.40 1 768 117 77 VAL CG2 C 20.949 0.40 1 769 117 77 VAL N N 123.276 0.40 1 770 118 78 THR H H 8.060 0.02 1 771 118 78 THR HA H 4.572 0.02 1 772 118 78 THR HB H 4.014 0.02 1 773 118 78 THR HG2 H 1.079 0.02 1 774 118 78 THR CA C 60.999 0.40 1 775 118 78 THR CB C 70.259 0.40 1 776 118 78 THR CG2 C 21.365 0.40 1 777 118 78 THR N N 121.250 0.40 1 778 119 79 PRO HA H 4.550 0.02 1 779 119 79 PRO HB2 H 1.309 0.02 2 780 119 79 PRO HB3 H 1.433 0.02 2 781 119 79 PRO HG2 H 2.138 0.02 2 782 119 79 PRO HG3 H 1.510 0.02 2 783 119 79 PRO HD2 H 4.085 0.02 2 784 119 79 PRO HD3 H 4.349 0.02 2 785 119 79 PRO CA C 62.447 0.40 1 786 119 79 PRO CB C 30.587 0.40 1 787 119 79 PRO CG C 26.514 0.40 1 788 119 79 PRO CD C 50.828 0.40 1 789 120 80 VAL H H 7.678 0.02 1 790 120 80 VAL HA H 4.792 0.02 1 791 120 80 VAL HB H 1.659 0.02 1 792 120 80 VAL HG1 H 0.640 0.02 2 793 120 80 VAL HG2 H 0.782 0.02 2 794 120 80 VAL CA C 59.893 0.40 1 795 120 80 VAL CB C 36.046 0.40 1 796 120 80 VAL CG1 C 21.114 0.40 1 797 120 80 VAL CG2 C 20.173 0.40 1 798 120 80 VAL N N 117.709 0.40 1 799 121 81 LEU H H 8.483 0.02 1 800 121 81 LEU HA H 4.614 0.02 1 801 121 81 LEU HB2 H 1.295 0.02 2 802 121 81 LEU HB3 H 1.354 0.02 2 803 121 81 LEU HG H 1.526 0.02 1 804 121 81 LEU HD1 H 0.887 0.02 2 805 121 81 LEU HD2 H 0.796 0.02 2 806 121 81 LEU CA C 54.193 0.40 1 807 121 81 LEU CB C 46.727 0.40 1 808 121 81 LEU CG C 27.524 0.40 1 809 121 81 LEU CD1 C 24.537 0.40 1 810 121 81 LEU CD2 C 25.930 0.40 1 811 121 81 LEU N N 123.961 0.40 1 812 122 82 ARG H H 9.418 0.02 1 813 122 82 ARG HA H 3.911 0.02 1 814 122 82 ARG HB2 H 1.553 0.02 2 815 122 82 ARG HB3 H 1.553 0.02 2 816 122 82 ARG HD2 H 3.242 0.02 2 817 122 82 ARG HD3 H 3.033 0.02 2 818 122 82 ARG HE H 8.899 0.02 1 819 122 82 ARG CA C 56.814 0.40 1 820 122 82 ARG CB C 27.992 0.40 1 821 122 82 ARG CD C 43.892 0.40 1 822 122 82 ARG N N 121.964 0.40 1 823 122 82 ARG NE N 86.364 0.40 1 824 123 83 GLY H H 8.303 0.02 1 825 123 83 GLY HA2 H 4.162 0.02 2 826 123 83 GLY HA3 H 3.532 0.02 2 827 123 83 GLY CA C 45.564 0.40 1 828 123 83 GLY N N 102.866 0.40 1 829 124 84 GLN H H 8.005 0.02 1 830 124 84 GLN HA H 4.998 0.02 1 831 124 84 GLN HB2 H 2.038 0.02 2 832 124 84 GLN HB3 H 2.224 0.02 2 833 124 84 GLN HG2 H 2.389 0.02 2 834 124 84 GLN HG3 H 2.389 0.02 2 835 124 84 GLN HE21 H 6.879 0.02 2 836 124 84 GLN HE22 H 7.569 0.02 2 837 124 84 GLN CA C 52.147 0.40 1 838 124 84 GLN CB C 30.878 0.40 1 839 124 84 GLN CG C 33.391 0.40 1 840 124 84 GLN N N 122.073 0.40 1 841 124 84 GLN NE2 N 112.968 0.40 1 842 125 85 PRO HA H 4.862 0.02 1 843 125 85 PRO HB2 H 1.780 0.02 2 844 125 85 PRO HB3 H 2.117 0.02 2 845 125 85 PRO HG2 H 1.954 0.02 2 846 125 85 PRO HG3 H 2.149 0.02 2 847 125 85 PRO HD2 H 3.796 0.02 2 848 125 85 PRO HD3 H 3.899 0.02 2 849 125 85 PRO CA C 62.867 0.40 1 850 125 85 PRO CB C 32.185 0.40 1 851 125 85 PRO CG C 27.536 0.40 1 852 125 85 PRO CD C 51.044 0.40 1 853 126 86 ILE H H 7.609 0.02 1 854 126 86 ILE HA H 4.572 0.02 1 855 126 86 ILE HB H 1.796 0.02 1 856 126 86 ILE HG12 H 1.516 0.02 2 857 126 86 ILE HG13 H 1.302 0.02 2 858 126 86 ILE HG2 H 0.859 0.02 1 859 126 86 ILE HD1 H 0.555 0.02 1 860 126 86 ILE CA C 59.106 0.40 1 861 126 86 ILE CB C 39.955 0.40 1 862 126 86 ILE CG1 C 28.064 0.40 1 863 126 86 ILE CG2 C 18.244 0.40 1 864 126 86 ILE CD1 C 14.798 0.40 1 865 126 86 ILE N N 116.469 0.40 1 866 127 87 TYR H H 7.580 0.02 1 867 127 87 TYR HA H 4.856 0.02 1 868 127 87 TYR HB2 H 2.522 0.02 2 869 127 87 TYR HB3 H 2.806 0.02 2 870 127 87 TYR HD1 H 6.924 0.02 1 871 127 87 TYR HD2 H 6.924 0.02 1 872 127 87 TYR HE1 H 6.723 0.02 1 873 127 87 TYR HE2 H 6.723 0.02 1 874 127 87 TYR CA C 56.912 0.40 1 875 127 87 TYR CB C 41.047 0.40 1 876 127 87 TYR CD2 C 132.867 0.40 1 877 127 87 TYR CE2 C 117.951 0.40 1 878 127 87 TYR N N 117.550 0.40 1 879 128 88 ILE H H 8.358 0.02 1 880 128 88 ILE HA H 4.807 0.02 1 881 128 88 ILE HB H 1.542 0.02 1 882 128 88 ILE HG12 H 0.858 0.02 2 883 128 88 ILE HG13 H 1.272 0.02 2 884 128 88 ILE HG2 H 0.659 0.02 1 885 128 88 ILE HD1 H 0.468 0.02 1 886 128 88 ILE CA C 59.873 0.40 1 887 128 88 ILE CB C 40.955 0.40 1 888 128 88 ILE CG1 C 27.956 0.40 1 889 128 88 ILE CG2 C 18.167 0.40 1 890 128 88 ILE CD1 C 14.819 0.40 1 891 128 88 ILE N N 122.996 0.40 1 892 129 89 GLN HA H 4.633 0.02 1 893 129 89 GLN CA C 54.028 0.40 1 894 130 90 PHE H H 8.854 0.02 1 895 130 90 PHE HA H 4.729 0.02 1 896 130 90 PHE HB2 H 2.909 0.02 2 897 130 90 PHE HB3 H 3.288 0.02 2 898 130 90 PHE HD1 H 7.454 0.02 1 899 130 90 PHE HD2 H 7.454 0.02 1 900 130 90 PHE HE1 H 7.407 0.02 1 901 130 90 PHE HE2 H 7.407 0.02 1 902 130 90 PHE HZ H 7.626 0.02 1 903 130 90 PHE CA C 60.078 0.40 1 904 130 90 PHE CB C 39.959 0.40 1 905 130 90 PHE CD1 C 132.153 0.40 1 906 130 90 PHE CE1 C 131.938 0.40 1 907 130 90 PHE CZ C 130.565 0.40 1 908 130 90 PHE N N 119.970 0.40 1 909 131 91 SER H H 9.125 0.02 1 910 131 91 SER HA H 4.665 0.02 1 911 131 91 SER HB2 H 4.073 0.02 2 912 131 91 SER HB3 H 4.073 0.02 2 913 131 91 SER CA C 55.140 0.40 1 914 131 91 SER N N 116.736 0.40 1 915 132 92 ASN H H 8.756 0.02 1 916 132 92 ASN HA H 4.565 0.02 1 917 132 92 ASN HB2 H 2.640 0.02 2 918 132 92 ASN HB3 H 2.640 0.02 2 919 132 92 ASN CB C 38.317 0.40 1 920 132 92 ASN N N 123.064 0.40 1 921 133 93 HIS H H 8.692 0.02 1 922 133 93 HIS HA H 4.416 0.02 1 923 133 93 HIS HB2 H 2.982 0.02 2 924 133 93 HIS HB3 H 2.982 0.02 2 925 133 93 HIS HD2 H 7.046 0.02 1 926 133 93 HIS HE1 H 7.947 0.02 1 927 133 93 HIS CB C 29.742 0.40 1 928 133 93 HIS CD2 C 119.148 0.40 1 929 133 93 HIS CE1 C 138.077 0.40 1 930 134 94 LYS H H 8.768 0.02 1 931 134 94 LYS HA H 4.469 0.02 1 932 134 94 LYS HB2 H 2.003 0.02 2 933 134 94 LYS HB3 H 1.860 0.02 2 934 134 94 LYS HG2 H 1.519 0.02 2 935 134 94 LYS HG3 H 1.579 0.02 2 936 134 94 LYS HD2 H 1.724 0.02 2 937 134 94 LYS HD3 H 1.724 0.02 2 938 134 94 LYS HE2 H 3.030 0.02 2 939 134 94 LYS HE3 H 3.030 0.02 2 940 134 94 LYS CA C 56.623 0.40 1 941 134 94 LYS CB C 33.037 0.40 1 942 134 94 LYS CG C 24.838 0.40 1 943 134 94 LYS CD C 28.783 0.40 1 944 134 94 LYS CE C 42.191 0.40 1 945 134 94 LYS N N 121.215 0.40 1 946 135 95 GLU H H 7.691 0.02 1 947 135 95 GLU HA H 4.308 0.02 1 948 135 95 GLU HB2 H 2.054 0.02 2 949 135 95 GLU HB3 H 1.912 0.02 2 950 135 95 GLU HG2 H 2.085 0.02 2 951 135 95 GLU HG3 H 2.085 0.02 2 952 135 95 GLU CA C 54.859 0.40 1 953 135 95 GLU CB C 32.466 0.40 1 954 135 95 GLU CG C 35.436 0.40 1 955 135 95 GLU N N 114.817 0.40 1 956 136 96 LEU H H 8.687 0.02 1 957 136 96 LEU HA H 4.625 0.02 1 958 136 96 LEU HB2 H 1.317 0.02 2 959 136 96 LEU HB3 H 1.317 0.02 2 960 136 96 LEU HG H 1.313 0.02 1 961 136 96 LEU HD1 H 0.434 0.02 2 962 136 96 LEU HD2 H 0.454 0.02 2 963 136 96 LEU CA C 53.906 0.40 1 964 136 96 LEU CB C 43.531 0.40 1 965 136 96 LEU CG C 27.026 0.40 1 966 136 96 LEU CD1 C 24.125 0.40 1 967 136 96 LEU CD2 C 24.685 0.40 1 968 136 96 LEU N N 122.603 0.40 1 969 137 97 LYS H H 9.159 0.02 1 970 137 97 LYS HA H 4.553 0.02 1 971 137 97 LYS HB2 H 1.863 0.02 2 972 137 97 LYS HB3 H 1.722 0.02 2 973 137 97 LYS HG2 H 1.333 0.02 2 974 137 97 LYS HG3 H 1.439 0.02 2 975 137 97 LYS HD2 H 1.683 0.02 2 976 137 97 LYS HD3 H 1.683 0.02 2 977 137 97 LYS HE2 H 3.013 0.02 2 978 137 97 LYS HE3 H 3.013 0.02 2 979 137 97 LYS CB C 33.109 0.40 1 980 137 97 LYS CG C 24.663 0.40 1 981 137 97 LYS CD C 29.450 0.40 1 982 137 97 LYS CE C 42.406 0.40 1 983 137 97 LYS N N 126.409 0.40 1 984 138 98 THR H H 8.675 0.02 1 985 138 98 THR HA H 4.788 0.02 1 986 138 98 THR HB H 4.517 0.02 1 987 138 98 THR HG2 H 1.056 0.02 1 988 138 98 THR CA C 60.386 0.40 1 989 138 98 THR CB C 70.443 0.40 1 990 138 98 THR CG2 C 21.784 0.40 1 991 139 99 ASP H H 8.405 0.02 1 992 139 99 ASP HA H 4.670 0.02 1 993 139 99 ASP HB2 H 2.755 0.02 2 994 139 99 ASP HB3 H 2.805 0.02 2 995 139 99 ASP CA C 54.715 0.40 1 996 139 99 ASP CB C 41.346 0.40 1 997 139 99 ASP N N 122.044 0.40 1 998 140 100 SER H H 8.279 0.02 1 999 140 100 SER HA H 4.489 0.02 1 1000 140 100 SER HB2 H 3.940 0.02 2 1001 140 100 SER HB3 H 3.960 0.02 2 1002 140 100 SER CA C 58.300 0.40 1 1003 140 100 SER CB C 63.512 0.40 1 1004 140 100 SER N N 114.360 0.40 1 1005 141 101 SER H H 8.106 0.02 1 1006 141 101 SER HA H 4.500 0.02 1 1007 141 101 SER HB2 H 4.011 0.02 2 1008 141 101 SER HB3 H 4.042 0.02 2 1009 141 101 SER CA C 58.710 0.40 1 1010 141 101 SER CB C 63.828 0.40 1 1011 141 101 SER N N 115.696 0.40 1 1012 142 102 PRO HA H 4.543 0.02 1 1013 142 102 PRO HB2 H 2.074 0.02 2 1014 142 102 PRO HB3 H 2.429 0.02 2 1015 142 102 PRO HG2 H 2.143 0.02 2 1016 142 102 PRO HG3 H 2.083 0.02 2 1017 142 102 PRO HD2 H 3.891 0.02 2 1018 142 102 PRO HD3 H 3.924 0.02 2 1019 142 102 PRO CA C 64.847 0.40 1 1020 142 102 PRO CB C 32.064 0.40 1 1021 142 102 PRO CG C 27.524 0.40 1 1022 142 102 PRO CD C 50.895 0.40 1 1023 143 103 ASN H H 8.381 0.02 1 1024 143 103 ASN HA H 4.681 0.02 1 1025 143 103 ASN HB2 H 2.995 0.02 2 1026 143 103 ASN HB3 H 2.894 0.02 2 1027 143 103 ASN HD21 H 7.753 0.02 2 1028 143 103 ASN CA C 54.616 0.40 1 1029 143 103 ASN CB C 38.645 0.40 1 1030 143 103 ASN N N 116.422 0.40 1 1031 143 103 ASN ND2 N 113.450 0.40 1 1032 144 104 GLN H H 8.129 0.02 1 1033 144 104 GLN HA H 4.402 0.02 1 1034 144 104 GLN HB2 H 2.214 0.02 2 1035 144 104 GLN HB3 H 2.314 0.02 2 1036 144 104 GLN HG2 H 2.559 0.02 2 1037 144 104 GLN HG3 H 2.590 0.02 2 1038 144 104 GLN HE21 H 7.237 0.02 2 1039 144 104 GLN HE22 H 7.624 0.02 2 1040 144 104 GLN CA C 57.559 0.40 1 1041 144 104 GLN CB C 28.900 0.40 1 1042 144 104 GLN CG C 34.066 0.40 1 1043 144 104 GLN N N 121.280 0.40 1 1044 144 104 GLN NE2 N 112.463 0.40 1 1045 145 105 ALA H H 8.333 0.02 1 1046 145 105 ALA HA H 4.277 0.02 1 1047 145 105 ALA HB H 1.542 0.02 1 1048 145 105 ALA CA C 55.183 0.40 1 1049 145 105 ALA CB C 18.350 0.40 1 1050 145 105 ALA N N 123.393 0.40 1 1051 146 106 ARG H H 8.039 0.02 1 1052 146 106 ARG HA H 4.246 0.02 1 1053 146 106 ARG HB2 H 1.922 0.02 2 1054 146 106 ARG HB3 H 1.922 0.02 2 1055 146 106 ARG HG2 H 1.826 0.02 2 1056 146 106 ARG HG3 H 1.672 0.02 2 1057 146 106 ARG HD2 H 3.327 0.02 2 1058 146 106 ARG HD3 H 3.327 0.02 2 1059 146 106 ARG CA C 58.458 0.40 1 1060 146 106 ARG CB C 30.577 0.40 1 1061 146 106 ARG CG C 27.542 0.40 1 1062 146 106 ARG CD C 43.584 0.40 1 1063 146 106 ARG N N 118.694 0.40 1 1064 147 107 ALA H H 7.927 0.02 1 1065 147 107 ALA HA H 4.115 0.02 1 1066 147 107 ALA HB H 1.617 0.02 1 1067 147 107 ALA CA C 55.076 0.40 1 1068 147 107 ALA CB C 18.646 0.40 1 1069 147 107 ALA N N 123.975 0.40 1 1070 148 108 GLN H H 8.468 0.02 1 1071 148 108 GLN HA H 4.150 0.02 1 1072 148 108 GLN HB2 H 2.199 0.02 2 1073 148 108 GLN HB3 H 2.199 0.02 2 1074 148 108 GLN HG2 H 2.535 0.02 2 1075 148 108 GLN HG3 H 2.535 0.02 2 1076 148 108 GLN CA C 58.152 0.40 1 1077 148 108 GLN CB C 28.690 0.40 1 1078 148 108 GLN CG C 34.165 0.40 1 1079 148 108 GLN N N 117.223 0.40 1 1080 149 109 ALA H H 8.126 0.02 1 1081 149 109 ALA HA H 4.261 0.02 1 1082 149 109 ALA HB H 1.528 0.02 1 1083 149 109 ALA CA C 54.230 0.40 1 1084 149 109 ALA CB C 18.509 0.40 1 1085 149 109 ALA N N 122.546 0.40 1 1086 150 110 ALA H H 7.871 0.02 1 1087 150 110 ALA HA H 4.273 0.02 1 1088 150 110 ALA HB H 1.460 0.02 1 1089 150 110 ALA CA C 54.206 0.40 1 1090 150 110 ALA CB C 18.731 0.40 1 1091 150 110 ALA N N 122.015 0.40 1 1092 151 111 LEU H H 8.117 0.02 1 1093 151 111 LEU HA H 4.164 0.02 1 1094 151 111 LEU HB2 H 1.625 0.02 2 1095 151 111 LEU HB3 H 1.853 0.02 2 1096 151 111 LEU HG H 1.744 0.02 1 1097 151 111 LEU HD1 H 0.811 0.02 2 1098 151 111 LEU HD2 H 0.929 0.02 2 1099 151 111 LEU CA C 57.144 0.40 1 1100 151 111 LEU CB C 42.148 0.40 1 1101 151 111 LEU CG C 26.924 0.40 1 1102 151 111 LEU CD1 C 23.823 0.40 1 1103 151 111 LEU CD2 C 25.487 0.40 1 1104 151 111 LEU N N 119.651 0.40 1 1105 152 112 GLN H H 8.149 0.02 1 1106 152 112 GLN HA H 4.237 0.02 1 1107 152 112 GLN HB2 H 2.178 0.02 2 1108 152 112 GLN HB3 H 2.178 0.02 2 1109 152 112 GLN HG2 H 2.542 0.02 2 1110 152 112 GLN HG3 H 2.507 0.02 2 1111 152 112 GLN CA C 57.487 0.40 1 1112 152 112 GLN CB C 28.802 0.40 1 1113 152 112 GLN CG C 34.028 0.40 1 1114 152 112 GLN N N 118.911 0.40 1 1115 153 113 ALA H H 7.879 0.02 1 1116 153 113 ALA HA H 4.295 0.02 1 1117 153 113 ALA HB H 1.534 0.02 1 1118 153 113 ALA CA C 53.784 0.40 1 1119 153 113 ALA CB C 18.635 0.40 1 1120 153 113 ALA N N 122.168 0.40 1 1121 154 114 VAL H H 7.651 0.02 1 1122 154 114 VAL HA H 4.172 0.02 1 1123 154 114 VAL HB H 2.251 0.02 1 1124 154 114 VAL HG1 H 1.034 0.02 2 1125 154 114 VAL HG2 H 1.091 0.02 2 1126 154 114 VAL CA C 63.139 0.40 1 1127 154 114 VAL CB C 32.383 0.40 1 1128 154 114 VAL CG1 C 21.542 0.40 1 1129 154 114 VAL CG2 C 20.862 0.40 1 1130 154 114 VAL N N 115.440 0.40 1 1131 155 115 ASN H H 8.178 0.02 1 1132 155 115 ASN HA H 4.827 0.02 1 1133 155 115 ASN HB2 H 2.861 0.02 2 1134 155 115 ASN HB3 H 2.917 0.02 2 1135 155 115 ASN HD21 H 7.544 0.02 2 1136 155 115 ASN HD22 H 7.019 0.02 2 1137 155 115 ASN CA C 53.906 0.40 1 1138 155 115 ASN CB C 39.085 0.40 1 1139 155 115 ASN N N 120.174 0.40 1 1140 155 115 ASN ND2 N 112.222 0.40 1 1141 156 116 SER H H 8.276 0.02 1 1142 156 116 SER HA H 4.422 0.02 1 1143 156 116 SER HB2 H 3.977 0.02 2 1144 156 116 SER HB3 H 3.977 0.02 2 1145 156 116 SER CA C 59.160 0.40 1 1146 156 116 SER CB C 63.767 0.40 1 1147 156 116 SER N N 116.109 0.40 1 1148 157 117 VAL H H 7.964 0.02 1 1149 157 117 VAL HA H 4.185 0.02 1 1150 157 117 VAL HB H 2.158 0.02 1 1151 157 117 VAL HG1 H 0.986 0.02 2 1152 157 117 VAL HG2 H 1.012 0.02 2 1153 157 117 VAL CA C 62.718 0.40 1 1154 157 117 VAL CB C 32.638 0.40 1 1155 157 117 VAL CG1 C 21.226 0.40 1 1156 157 117 VAL CG2 C 20.796 0.40 1 1157 157 117 VAL N N 121.074 0.40 1 1158 158 118 GLN H H 8.363 0.02 1 1159 158 118 GLN HA H 4.414 0.02 1 1160 158 118 GLN HB2 H 2.225 0.02 2 1161 158 118 GLN HB3 H 2.072 0.02 2 1162 158 118 GLN HG2 H 2.426 0.02 2 1163 158 118 GLN HG3 H 2.426 0.02 2 1164 158 118 GLN CA C 56.029 0.40 1 1165 158 118 GLN CB C 29.540 0.40 1 1166 158 118 GLN CG C 33.873 0.40 1 1167 158 118 GLN N N 123.454 0.40 1 1168 159 119 SER H H 8.308 0.02 1 1169 159 119 SER HA H 4.524 0.02 1 1170 159 119 SER HB2 H 3.928 0.02 2 1171 159 119 SER HB3 H 3.928 0.02 2 1172 159 119 SER CA C 58.714 0.40 1 1173 159 119 SER CB C 63.767 0.40 1 1174 159 119 SER N N 117.041 0.40 1 1175 160 120 GLY H H 8.375 0.02 1 1176 160 120 GLY HA2 H 4.028 0.02 2 1177 160 120 GLY HA3 H 4.028 0.02 2 1178 160 120 GLY CA C 45.520 0.40 1 1179 160 120 GLY N N 110.469 0.40 1 1180 161 121 ASN H H 8.295 0.02 1 1181 161 121 ASN HA H 4.709 0.02 1 1182 161 121 ASN HB2 H 2.793 0.02 2 1183 161 121 ASN HB3 H 2.793 0.02 2 1184 161 121 ASN CB C 39.077 0.40 1 1185 161 121 ASN N N 118.524 0.40 1 1186 162 122 LEU H H 8.192 0.02 1 1187 162 122 LEU HA H 4.395 0.02 1 1188 162 122 LEU HB2 H 1.666 0.02 2 1189 162 122 LEU HB3 H 1.666 0.02 2 1190 162 122 LEU CA C 55.363 0.40 1 1191 162 122 LEU CB C 42.458 0.40 1 1192 163 123 ALA H H 7.809 0.02 1 1193 163 123 ALA HA H 4.159 0.02 1 1194 163 123 ALA HB H 1.366 0.02 1 1195 163 123 ALA CA C 54.104 0.40 1 1196 163 123 ALA CB C 20.378 0.40 1 stop_ save_ save_RNA-chemical-shifts _Saveframe_category assigned_chemical_shifts _Details 'Chemical shifts for RNA imino protons were obtained from NOESY spectra measured at 5C.' loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '3D f1-13Cfiltered,f2-13C-edited NOESY aliphatic-HSQC' '2D f2-13C-filtered NOESY' '3D aliphatic-HSQC-NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $15N-PTBRRM1-unlabeled-SL23H-RNA-in-D2O $15N-PTBRRM1-13C-ribose-labeled-U10U12U14-SL23H-RNA-in-D2O $15N-PTBRRM1-13C-SL23H-RNA-in-D2O $13C15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O $15N-PTBRRM1-13C-labeled-CU-SL23H-RNA-in-D2O $15N-PTBRRM1-13C-ribose-labeled-G9U11U13C15-SL23H-RNA-in-D2O stop_ _Sample_conditions_label $40C _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_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')" _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 G H1' H 5.906 0.02 1 2 1 1 G H2' H 4.808 0.02 1 3 1 1 G H3' H 4.999 0.02 1 4 1 1 G H4' H 4.619 0.02 1 5 1 1 G H5' H 4.143 0.02 2 6 1 1 G H5'' H 4.381 0.02 2 7 1 1 G H8 H 8.237 0.02 1 8 1 1 G C1' C 89.329 0.40 1 9 1 1 G C2' C 71.838 0.40 1 10 1 1 G C3' C 72.676 0.40 1 11 1 1 G C4' C 80.852 0.40 1 12 1 1 G C5' C 63.136 0.40 1 13 1 1 G C8 C 139.238 0.40 1 14 2 2 G H1' H 6.013 0.02 1 15 2 2 G H2' H 4.775 0.02 1 16 2 2 G H3' H 4.682 0.02 1 17 2 2 G H4' H 4.550 0.02 1 18 2 2 G H5' H 4.325 0.02 2 19 2 2 G H5'' H 4.610 0.02 2 20 2 2 G H8 H 7.674 0.02 1 21 2 2 G C1' C 90.246 0.40 1 22 2 2 G C2' C 73.073 0.40 1 23 2 2 G C3' C 70.525 0.40 1 24 2 2 G C4' C 79.696 0.40 1 25 2 2 G C5' C 63.512 0.40 1 26 2 2 G C8 C 136.761 0.40 1 27 3 3 G H1' H 5.844 0.02 1 28 3 3 G H2' H 4.689 0.02 1 29 3 3 G H3' H 4.658 0.02 1 30 3 3 G H4' H 4.538 0.02 1 31 3 3 G H5' H 4.130 0.02 2 32 3 3 G H5'' H 4.593 0.02 2 33 3 3 G H8 H 7.327 0.02 1 34 3 3 G C1' C 90.329 0.40 1 35 3 3 G C2' C 72.994 0.40 1 36 3 3 G C3' C 70.532 0.40 1 37 3 3 G C4' C 79.503 0.40 1 38 3 3 G C5' C 63.401 0.40 1 39 3 3 G C8 C 136.384 0.40 1 40 4 4 A H1' H 6.095 0.02 1 41 4 4 A H2 H 7.948 0.02 1 42 4 4 A H2' H 4.679 0.02 1 43 4 4 A H3' H 4.687 0.02 1 44 4 4 A H4' H 4.524 0.02 1 45 4 4 A H5' H 4.144 0.02 2 46 4 4 A H5'' H 4.672 0.02 2 47 4 4 A H8 H 7.919 0.02 1 48 4 4 A C1' C 90.323 0.40 1 49 4 4 A C2 C 154.327 0.40 1 50 4 4 A C2' C 72.870 0.40 1 51 4 4 A C3' C 70.316 0.40 1 52 4 4 A C4' C 79.404 0.40 1 53 4 4 A C5' C 62.646 0.40 1 54 4 4 A C8 C 139.452 0.40 1 55 5 5 C H1' H 5.468 0.02 1 56 5 5 C H2' H 4.414 0.02 1 57 5 5 C H3' H 4.381 0.02 1 58 5 5 C H4' H 4.454 0.02 1 59 5 5 C H5 H 5.346 0.02 1 60 5 5 C H5' H 4.127 0.02 2 61 5 5 C H5'' H 4.545 0.02 2 62 5 5 C H6 H 7.497 0.02 1 63 5 5 C C1' C 91.284 0.40 1 64 5 5 C C2' C 73.017 0.40 1 65 5 5 C C3' C 70.155 0.40 1 66 5 5 C C4' C 79.297 0.40 1 67 5 5 C C5 C 94.817 0.40 1 68 5 5 C C5' C 62.940 0.40 1 69 5 5 C C6 C 140.894 0.40 1 70 6 6 C H1' H 5.635 0.02 1 71 6 6 C H2' H 4.667 0.02 1 72 6 6 C H3' H 4.536 0.02 1 73 6 6 C H4' H 4.449 0.02 1 74 6 6 C H5 H 5.589 0.02 1 75 6 6 C H5' H 4.167 0.02 2 76 6 6 C H5'' H 4.632 0.02 2 77 6 6 C H6 H 7.833 0.02 1 78 6 6 C C1' C 91.584 0.40 1 79 6 6 C C2' C 72.919 0.40 1 80 6 6 C C3' C 70.079 0.40 1 81 6 6 C C4' C 79.358 0.40 1 82 6 6 C C5 C 95.258 0.40 1 83 6 6 C C5' C 62.228 0.40 1 84 6 6 C C6 C 141.863 0.40 1 85 7 7 U H1' H 5.623 0.02 1 86 7 7 U H2' H 4.681 0.02 1 87 7 7 U H3' H 4.690 0.02 1 88 7 7 U H4' H 4.480 0.02 1 89 7 7 U H5 H 5.484 0.02 1 90 7 7 U H5' H 4.162 0.02 2 91 7 7 U H5'' H 4.641 0.02 2 92 7 7 U H6 H 7.934 0.02 1 93 7 7 U C1' C 90.923 0.40 1 94 7 7 U C2' C 72.846 0.40 1 95 7 7 U C3' C 70.049 0.40 1 96 7 7 U C4' C 79.419 0.40 1 97 7 7 U C5 C 100.983 0.40 1 98 7 7 U C5' C 62.007 0.40 1 99 7 7 U C6 C 141.977 0.40 1 100 8 8 G H1' H 5.861 0.02 1 101 8 8 G H2' H 4.675 0.02 1 102 8 8 G H3' H 4.683 0.02 1 103 8 8 G H4' H 4.468 0.02 1 104 8 8 G H5' H 4.235 0.02 2 105 8 8 G H5'' H 4.565 0.02 2 106 8 8 G H8 H 7.800 0.02 1 107 8 8 G C1' C 89.843 0.40 1 108 8 8 G C2' C 72.895 0.40 1 109 8 8 G C3' C 70.241 0.40 1 110 8 8 G C4' C 79.457 0.40 1 111 8 8 G C5' C 63.105 0.40 1 112 8 8 G C8 C 136.550 0.40 1 113 9 9 G H1' H 5.792 0.02 1 114 9 9 G H2' H 4.489 0.02 1 115 9 9 G H3' H 4.428 0.02 1 116 9 9 G H4' H 4.499 0.02 1 117 9 9 G H5' H 4.117 0.02 2 118 9 9 G H5'' H 4.517 0.02 2 119 9 9 G H8 H 7.254 0.02 1 120 9 9 G C1' C 89.843 0.40 1 121 9 9 G C2' C 73.234 0.40 1 122 9 9 G C3' C 70.737 0.40 1 123 9 9 G C4' C 79.741 0.40 1 124 9 9 G C5' C 63.433 0.40 1 125 9 9 G C8 C 136.086 0.40 1 126 10 10 U H1' H 5.811 0.02 1 127 10 10 U H2' H 4.262 0.02 1 128 10 10 U H3' H 4.704 0.02 1 129 10 10 U H4' H 4.453 0.02 1 130 10 10 U H5 H 5.477 0.02 1 131 10 10 U H5' H 4.126 0.02 2 132 10 10 U H5'' H 4.339 0.02 2 133 10 10 U H6 H 7.691 0.02 1 134 10 10 U C1' C 89.253 0.40 1 135 10 10 U C2' C 73.651 0.40 1 136 10 10 U C3' C 73.758 0.40 1 137 10 10 U C4' C 81.318 0.40 1 138 10 10 U C5 C 101.820 0.40 1 139 10 10 U C5' C 62.909 0.40 1 140 10 10 U C6 C 141.803 0.40 1 141 11 11 C H2' H 4.264 0.02 1 142 11 11 C H3' H 4.380 0.02 1 143 11 11 C H4' H 4.350 0.02 1 144 11 11 C H5 H 6.013 0.02 1 145 11 11 C H5' H 4.133 0.02 2 146 11 11 C H5'' H 4.173 0.02 2 147 11 11 C H6 H 7.790 0.02 1 148 11 11 C C2' C 74.412 0.40 1 149 11 11 C C3' C 70.138 0.40 1 150 11 11 C C4' C 83.151 0.40 1 151 11 11 C C5 C 96.495 0.40 1 152 11 11 C C5' C 65.094 0.40 1 153 11 11 C C6 C 143.348 0.40 1 154 12 12 U H1' H 5.987 0.02 1 155 12 12 U H2' H 4.361 0.02 1 156 12 12 U H3' H 4.758 0.02 1 157 12 12 U H4' H 4.480 0.02 1 158 12 12 U H5' H 4.113 0.02 2 159 12 12 U H5'' H 4.225 0.02 2 160 12 12 U H6 H 7.608 0.02 1 161 12 12 U C1' C 87.132 0.40 1 162 12 12 U C2' C 74.113 0.40 1 163 12 12 U C3' C 76.486 0.40 1 164 12 12 U C4' C 83.539 0.40 1 165 12 12 U C5' C 65.594 0.40 1 166 12 12 U C6 C 143.433 0.40 1 167 13 13 U H1' H 6.008 0.02 1 168 13 13 U H2' H 4.466 0.02 1 169 13 13 U H3' H 4.786 0.02 1 170 13 13 U H4' H 4.451 0.02 1 171 13 13 U H5 H 6.062 0.02 1 172 13 13 U H5' H 4.158 0.02 2 173 13 13 U H5'' H 4.236 0.02 2 174 13 13 U H6 H 7.937 0.02 1 175 13 13 U C1' C 88.081 0.40 1 176 13 13 U C2' C 72.809 0.40 1 177 13 13 U C3' C 74.556 0.40 1 178 13 13 U C4' C 82.698 0.40 1 179 13 13 U C5 C 103.096 0.40 1 180 13 13 U C5' C 65.180 0.40 1 181 13 13 U C6 C 143.771 0.40 1 182 14 14 U H1' H 5.981 0.02 1 183 14 14 U H2' H 4.587 0.02 1 184 14 14 U H3' H 4.724 0.02 1 185 14 14 U H4' H 4.591 0.02 1 186 14 14 U H5 H 5.997 0.02 1 187 14 14 U H5' H 4.227 0.02 2 188 14 14 U H5'' H 4.357 0.02 2 189 14 14 U H6 H 8.029 0.02 1 190 14 14 U C1' C 88.664 0.40 1 191 14 14 U C2' C 72.624 0.40 1 192 14 14 U C3' C 73.965 0.40 1 193 14 14 U C4' C 82.273 0.40 1 194 14 14 U C5 C 102.534 0.40 1 195 14 14 U C5' C 65.267 0.40 1 196 14 14 U C6 C 144.139 0.40 1 197 15 15 C H1' H 5.690 0.02 1 198 15 15 C H2' H 4.585 0.02 1 199 15 15 C H3' H 4.581 0.02 1 200 15 15 C H4' H 4.599 0.02 1 201 15 15 C H5 H 6.105 0.02 1 202 15 15 C H5' H 4.327 0.02 2 203 15 15 C H5'' H 4.514 0.02 2 204 15 15 C H6 H 8.095 0.02 1 205 15 15 C C1' C 91.445 0.40 1 206 15 15 C C2' C 72.786 0.40 1 207 15 15 C C3' C 71.261 0.40 1 208 15 15 C C4' C 80.031 0.40 1 209 15 15 C C5 C 95.976 0.40 1 210 15 15 C C5' C 64.374 0.40 1 211 15 15 C C6 C 143.010 0.40 1 212 16 16 C H1' H 5.596 0.02 1 213 16 16 C H2' H 4.673 0.02 1 214 16 16 C H3' H 4.674 0.02 1 215 16 16 C H4' H 4.472 0.02 1 216 16 16 C H5 H 5.758 0.02 1 217 16 16 C H5' H 4.164 0.02 2 218 16 16 C H5'' H 4.602 0.02 2 219 16 16 C H6 H 7.841 0.02 1 220 16 16 C C1' C 91.729 0.40 1 221 16 16 C C2' C 72.910 0.40 1 222 16 16 C C3' C 70.262 0.40 1 223 16 16 C C4' C 79.404 0.40 1 224 16 16 C C5 C 95.104 0.40 1 225 16 16 C C5' C 62.567 0.40 1 226 16 16 C C6 C 141.716 0.40 1 227 17 17 A H1' H 6.016 0.02 1 228 17 17 A H2 H 7.117 0.02 1 229 17 17 A H2' H 4.781 0.02 1 230 17 17 A H3' H 4.837 0.02 1 231 17 17 A H4' H 4.539 0.02 1 232 17 17 A H5' H 4.272 0.02 2 233 17 17 A H5'' H 4.657 0.02 2 234 17 17 A H8 H 8.163 0.02 1 235 17 17 A C1' C 90.058 0.40 1 236 17 17 A C2 C 152.781 0.40 1 237 17 17 A C2' C 73.299 0.40 1 238 17 17 A C3' C 70.373 0.40 1 239 17 17 A C4' C 79.346 0.40 1 240 17 17 A C5' C 62.739 0.40 1 241 17 17 A C8 C 139.742 0.40 1 242 18 18 G H1' H 5.685 0.02 1 243 18 18 G H2' H 4.651 0.02 1 244 18 18 G H3' H 4.524 0.02 1 245 18 18 G H4' H 4.479 0.02 1 246 18 18 G H5' H 4.166 0.02 2 247 18 18 G H5'' H 4.535 0.02 2 248 18 18 G H8 H 7.255 0.02 1 249 18 18 G C1' C 89.903 0.40 1 250 18 18 G C2' C 72.875 0.40 1 251 18 18 G C3' C 70.368 0.40 1 252 18 18 G C4' C 79.404 0.40 1 253 18 18 G C5' C 63.309 0.40 1 254 18 18 G C8 C 136.237 0.40 1 255 19 19 G H1' H 5.810 0.02 1 256 19 19 G H2' H 4.539 0.02 1 257 19 19 G H3' H 4.528 0.02 1 258 19 19 G H4' H 4.469 0.02 1 259 19 19 G H5' H 4.125 0.02 2 260 19 19 G H5'' H 4.534 0.02 2 261 19 19 G H8 H 7.273 0.02 1 262 19 19 G C1' C 90.480 0.40 1 263 19 19 G C2' C 73.067 0.40 1 264 19 19 G C3' C 70.455 0.40 1 265 19 19 G C4' C 79.578 0.40 1 266 19 19 G C5' C 63.253 0.40 1 267 19 19 G C8 C 136.352 0.40 1 268 20 20 U H1' H 5.701 0.02 1 269 20 20 U H2' H 4.652 0.02 1 270 20 20 U H3' H 4.548 0.02 1 271 20 20 U H4' H 4.477 0.02 1 272 20 20 U H5 H 5.160 0.02 1 273 20 20 U H5' H 4.146 0.02 2 274 20 20 U H5'' H 4.621 0.02 2 275 20 20 U H6 H 7.889 0.02 1 276 20 20 U C1' C 91.132 0.40 1 277 20 20 U C2' C 72.989 0.40 1 278 20 20 U C3' C 69.799 0.40 1 279 20 20 U C4' C 79.511 0.40 1 280 20 20 U C5 C 99.885 0.40 1 281 20 20 U C5' C 62.227 0.40 1 282 20 20 U C6 C 142.171 0.40 1 283 21 21 C H1' H 5.722 0.02 1 284 21 21 C H2' H 4.463 0.02 1 285 21 21 C H3' H 4.534 0.02 1 286 21 21 C H4' H 4.486 0.02 1 287 21 21 C H5 H 5.762 0.02 1 288 21 21 C H5' H 4.248 0.02 2 289 21 21 C H5'' H 4.588 0.02 2 290 21 21 C H6 H 7.931 0.02 1 291 21 21 C C1' C 91.442 0.40 1 292 21 21 C C2' C 73.113 0.40 1 293 21 21 C C3' C 69.953 0.40 1 294 21 21 C C4' C 79.195 0.40 1 295 21 21 C C5 C 95.465 0.40 1 296 21 21 C C5' C 62.889 0.40 1 297 21 21 C C6 C 141.754 0.40 1 298 22 22 C H1' H 5.561 0.02 1 299 22 22 C H2' H 4.336 0.02 1 300 22 22 C H3' H 4.567 0.02 1 301 22 22 C H4' H 4.436 0.02 1 302 22 22 C H5 H 5.591 0.02 1 303 22 22 C H5' H 4.161 0.02 2 304 22 22 C H5'' H 4.621 0.02 2 305 22 22 C H6 H 7.852 0.02 1 306 22 22 C C1' C 91.718 0.40 1 307 22 22 C C2' C 72.949 0.40 1 308 22 22 C C3' C 69.750 0.40 1 309 22 22 C C4' C 79.484 0.40 1 310 22 22 C C5 C 95.426 0.40 1 311 22 22 C C5' C 62.389 0.40 1 312 22 22 C C6 C 142.026 0.40 1 313 23 23 C H1' H 5.843 0.02 1 314 23 23 C H2' H 4.069 0.02 1 315 23 23 C H3' H 4.254 0.02 1 316 23 23 C H4' H 4.248 0.02 1 317 23 23 C H5 H 5.587 0.02 1 318 23 23 C H5' H 4.109 0.02 2 319 23 23 C H5'' H 4.560 0.02 2 320 23 23 C H6 H 7.784 0.02 1 321 23 23 C C1' C 90.074 0.40 1 322 23 23 C C2' C 74.988 0.40 1 323 23 23 C C3' C 67.309 0.40 1 324 23 23 C C4' C 81.044 0.40 1 325 23 23 C C5 C 95.013 0.40 1 326 23 23 C C5' C 62.877 0.40 1 327 23 23 C C6 C 141.966 0.40 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings _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. ; _Sample_conditions_label $40C _Spectrometer_frequency_1H 900.0 _Text_data_format . _Text_data . loop_ _Sample_label $15N-PTBRRM1-13C-SL23H-RNA-in-D2O $15N-PTBRRM1-13C15N-SL23H-RNA-Pf1-phage-in-D2O $15N-PTBRRM1-unlabeled-SL23H-RNA-in-H2O $15N-PTBRRM1-unlabeled-SL23H-RNA-Pf1-phage-in-H2O $15N-PTBRRM1-13C15N-SL23H-RNA-in-H2O stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value 1DHN 15 GLY H 15 GLY N -3.6 $SPARKY ? ? . . 1DHN 16 VAL H 16 VAL N 3.96 $SPARKY ? ? . . 1DHN 20 VAL H 20 VAL N -8.53 $SPARKY ? ? . . 1DHN 21 ILE H 21 ILE N -8.46 $SPARKY ? ? . . 1DHN 22 HIS H 22 HIS N -6.94 $SPARKY ? ? . . 1DHN 32 GLU H 32 GLU N -7.12 $SPARKY ? ? . . 1DHN 34 GLU H 34 GLU N 1.59 $SPARKY ? ? . . 1DHN 36 ILE H 36 ILE N -6.68 $SPARKY ? ? . . 1DHN 38 LEU H 38 LEU N 5.66 $SPARKY ? ? . . 1DHN 39 GLY H 39 GLY N -5.52 $SPARKY ? ? . . 1DHN 40 LEU H 40 LEU N 0.31 $SPARKY ? ? . . 1DHN 46 THR H 46 THR N -7.23 $SPARKY ? ? . . 1DHN 47 ASN H 47 ASN N -5.26 $SPARKY ? ? . . 1DHN 48 LEU H 48 LEU N -3.31 $SPARKY ? ? . . 1DHN 56 GLN H 56 GLN N -4.92 $SPARKY ? ? . . 1DHN 58 PHE H 58 PHE N -7.03 $SPARKY ? ? . . 1DHN 61 MET H 61 MET N -3.79 $SPARKY ? ? . . 1DHN 63 THR H 63 THR N -2.35 $SPARKY ? ? . . 1DHN 64 GLU H 64 GLU N 0.72 $SPARKY ? ? . . 1DHN 65 GLU H 65 GLU N 3.75 $SPARKY ? ? . . 1DHN 68 ASN H 68 ASN N 3.37 $SPARKY ? ? . . 1DHN 69 THR H 69 THR N 1.76 $SPARKY ? ? . . 1DHN 72 ASN H 72 ASN N 5.92 $SPARKY ? ? . . 1DHN 74 TYR H 74 TYR N 2.44 $SPARKY ? ? . . 1DHN 75 THR H 75 THR N 7.36 $SPARKY ? ? . . 1DHN 77 VAL H 77 VAL N 1.29 $SPARKY ? ? . . 1DHN 80 VAL H 80 VAL N 8.67 $SPARKY ? ? . . 1DHN 81 LEU H 81 LEU N 6.86 $SPARKY ? ? . . 1DHN 84 GLN H 84 GLN N -0.47 $SPARKY ? ? . . 1DHN 86 ILE H 86 ILE N 9.87 $SPARKY ? ? . . 1DHN 90 PHE H 90 PHE N -7.18 $SPARKY ? ? . . 1DHN 107 ALA H 107 ALA N 7.45 $SPARKY ? ? . . 1DHN 108 GLN H 108 GLN N 7.97 $SPARKY ? ? . . 1DHN 109 ALA H 109 ALA N 10.3 $SPARKY ? ? . . 1DHN 110 ALA H 110 ALA N 10.41 $SPARKY ? ? . . 1DHN 111 LEU H 111 LEU N 6.31 $SPARKY ? ? . . 1DHN 112 GLN H 112 GLN N 7.64 $SPARKY ? ? . . 1DHN 113 ALA H 113 ALA N 11.9 $SPARKY ? ? . . 1DHN 114 VAL H 114 VAL N 5.15 $SPARKY ? ? . . 1DHN 117 VAL H 117 VAL N -0.36 $SPARKY ? ? . . 1DHC 4 A H1' 4 A C1' -9.8 $SPARKY ? ? . . 1DHC 4 A H8 4 A C8 6.5 $SPARKY ? ? . . 1DHC 4 A H2 4 A C2 3.6 $SPARKY ? ? . . 1DHC 5 C H1' 5 C C1' -9.8 $SPARKY ? ? . . 1DHC 5 C H5 5 C C5 2.7 $SPARKY ? ? . . 1DHC 5 C H6 5 C C6 8.3 $SPARKY ? ? . . 1DHC 6 C H6 6 C C6 7.3 $SPARKY ? ? . . 1DHC 7 U H1' 7 U C1' -2.9 $SPARKY ? ? . . 1DHC 7 U H3 7 U N3 -4.6 $SPARKY ? ? . . 1DHC 7 U H5 7 U C5 7.4 $SPARKY ? ? . . 1DHC 8 G H1' 8 G C1' -3.4 $SPARKY ? ? . . 1DHC 8 G H8 8 G C8 4.2 $SPARKY ? ? . . 1DHC 9 G H1' 9 G C1' -3.3 $SPARKY ? ? . . 1DHC 10 U H5 10 U C5 2.4 $SPARKY ? ? . . 1DHC 10 U H6 10 U C6 7.6 $SPARKY ? ? . . 1DHC 14 U H1' 14 U C1' -2.4 $SPARKY ? ? . . 1DHC 14 U H5 14 U C5 0.9 $SPARKY ? ? . . 1DHC 14 U H6 14 U C6 4.2 $SPARKY ? ? . . 1DHC 15 C H5 15 C C5 6.5 $SPARKY ? ? . . 1DHC 15 C H6 15 C C6 5.8 $SPARKY ? ? . . 1DHC 16 C H5 16 C C5 8.1 $SPARKY ? ? . . 1DHC 17 A H8 17 A C8 4.1 $SPARKY ? ? . . 1DHC 17 A H2 17 A C2 5.6 $SPARKY ? ? . . 1DHC 18 G H1 18 G N1 -7.9 $SPARKY ? ? . . 1DHC 18 G H1' 18 G C1' -4.2 $SPARKY ? ? . . 1DHC 19 G H1' 19 G C1' -4.7 $SPARKY ? ? . . 1DHC 19 G H1 19 G N1 -9.5 $SPARKY ? ? . . 1DHC 20 U H3 20 U N3 -8.2 $SPARKY ? ? . . 1DHC 20 U H1' 20 U C1' -3.8 $SPARKY ? ? . . 1DHC 21 C H5 21 C C5 6.8 $SPARKY ? ? . . stop_ save_