data_19382 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of hnRNP G RRM in complex with the RNA 5'-AUCAAA-3' ; _BMRB_accession_number 19382 _BMRB_flat_file_name bmr19382.str _Entry_type original _Submission_date 2013-07-22 _Accession_date 2013-07-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moursy Ahmed . . 2 Allain Frederic H.T. . 3 Clery Antoine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 604 "13C chemical shifts" 293 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-06 original author . stop_ _Original_release_date 2014-05-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Characterization of the RNA recognition mode of hnRNP G extends its role in SMN2 splicing regulation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24692659 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moursy Ahmed . . 2 Allain 'Frederic H-T' . . 3 Clery Antoine . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _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 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hnRNP G RRM in complex with the RNA 5'-AUCAAA-3'' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hnRNP G RRM' $hnRNP_G_RRM 'RNA (5'-R(*AP*UP*CP*AP*AP*A)-3')' $RNA_AUCAAA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hnRNP_G_RRM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hnRNP_G_RRM _Molecular_mass 10413.906 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; MVEADRPGKLFIGGLNTETN EKALEAVFGKYGRIVEVLLM KDRETNKSRGFAFVTFESPA DAKDAARDMNGKSLDGKAIK VEQATKPSFESGRRG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 GLU 4 ALA 5 ASP 6 ARG 7 PRO 8 GLY 9 LYS 10 LEU 11 PHE 12 ILE 13 GLY 14 GLY 15 LEU 16 ASN 17 THR 18 GLU 19 THR 20 ASN 21 GLU 22 LYS 23 ALA 24 LEU 25 GLU 26 ALA 27 VAL 28 PHE 29 GLY 30 LYS 31 TYR 32 GLY 33 ARG 34 ILE 35 VAL 36 GLU 37 VAL 38 LEU 39 LEU 40 MET 41 LYS 42 ASP 43 ARG 44 GLU 45 THR 46 ASN 47 LYS 48 SER 49 ARG 50 GLY 51 PHE 52 ALA 53 PHE 54 VAL 55 THR 56 PHE 57 GLU 58 SER 59 PRO 60 ALA 61 ASP 62 ALA 63 LYS 64 ASP 65 ALA 66 ALA 67 ARG 68 ASP 69 MET 70 ASN 71 GLY 72 LYS 73 SER 74 LEU 75 ASP 76 GLY 77 LYS 78 ALA 79 ILE 80 LYS 81 VAL 82 GLU 83 GLN 84 ALA 85 THR 86 LYS 87 PRO 88 SER 89 PHE 90 GLU 91 SER 92 GLY 93 ARG 94 ARG 95 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 BMRB 19792 entity 94.74 92 100.00 100.00 2.52e-56 PDB 2MB0 "Solution Structure Of Hnrnp G Rrm In Complex With The Rna 5'-aucaaa-3'" 100.00 95 100.00 100.00 4.07e-60 PDB 2MKS "Nmr Structure Of The Rrm Domain Of Rbmx From Homo Sapiens" 94.74 92 100.00 100.00 2.52e-56 DBJ BAC31099 "unnamed protein product [Mus musculus]" 100.00 388 98.95 100.00 2.02e-58 DBJ BAE00972 "unnamed protein product [Macaca fascicularis]" 100.00 391 100.00 100.00 1.23e-58 DBJ BAE22448 "unnamed protein product [Mus musculus]" 100.00 391 100.00 100.00 1.51e-58 DBJ BAE37998 "unnamed protein product [Mus musculus]" 100.00 289 100.00 100.00 5.84e-59 DBJ BAF62396 "RNA binding motif protein, X-linked [Pan troglodytes verus]" 100.00 391 100.00 100.00 1.16e-58 EMBL CAA80599 "hnRNP G protein [Homo sapiens]" 100.00 391 100.00 100.00 1.23e-58 EMBL CAB51361 "heterogeneous nuclear ribonucleoprotein G [Mus musculus]" 100.00 289 100.00 100.00 5.84e-59 EMBL CAB51362 "heterogeneous nuclear ribonucleoprotein G [Mus musculus]" 100.00 391 100.00 100.00 1.51e-58 EMBL CAG31684 "hypothetical protein RCJMB04_9j22 [Gallus gallus]" 101.05 385 98.96 98.96 4.32e-57 EMBL CAI46148 "hypothetical protein [Homo sapiens]" 94.74 390 97.78 98.89 1.46e-52 GB AAH03710 "RNA binding motif protein, X chromosome [Mus musculus]" 100.00 391 100.00 100.00 1.51e-58 GB AAH06550 "RNA binding motif protein, X-linked [Homo sapiens]" 100.00 391 100.00 100.00 1.16e-58 GB AAH07435 "RNA binding motif protein, X-linked [Homo sapiens]" 100.00 391 100.00 100.00 1.16e-58 GB AAH11441 "Rbmxrt protein [Mus musculus]" 100.00 388 98.95 100.00 2.02e-58 GB AAH12942 "Cysteine conjugate-beta lyase 2 [Homo sapiens]" 94.74 390 97.78 98.89 1.46e-52 PIR S41766 "heterogeneous nuclear ribonucleoprotein G - human" 100.00 437 100.00 100.00 2.03e-57 REF NP_001020834 "RNA-binding motif protein, X chromosome [Rattus norvegicus]" 100.00 390 100.00 100.00 1.61e-58 REF NP_001073196 "heterogeneous nuclear ribonucleoprotein G [Gallus gallus]" 101.05 385 98.96 98.96 4.32e-57 REF NP_001100890 "RNA-binding motif protein, X chromosome retrogene-like [Rattus norvegicus]" 100.00 388 97.89 98.95 1.18e-57 REF NP_001128678 "RNA-binding motif protein, X chromosome [Pan troglodytes]" 100.00 391 100.00 100.00 1.16e-58 REF NP_001156008 "RNA binding motif protein, X-linked-like-1 [Homo sapiens]" 94.74 390 97.78 98.89 1.46e-52 SP A5A6M3 "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Heterogeneous nuclear ribonucleoprotein G; Short=hnRNP G; " 100.00 391 100.00 100.00 1.16e-58 SP D4AE41 "RecName: Full=RNA binding motif protein, X-linked-like-1; AltName: Full=Heterogeneous nuclear ribonucleoprotein G-like 1; Conta" 100.00 388 97.89 98.95 2.06e-57 SP P38159 "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Glycoprotein p43; AltName: Full=Heterogeneous nuclear ribo" 100.00 391 100.00 100.00 1.16e-58 SP P84586 "RecName: Full=RNA-binding motif protein, X chromosome retrogene-like; AltName: Full=Heterogeneous nuclear ribonucleoprotein G r" 100.00 388 97.89 98.95 1.18e-57 SP Q4R7F0 "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Heterogeneous nuclear ribonucleoprotein G; Short=hnRNP G; " 100.00 391 100.00 100.00 1.23e-58 TPG DAA13328 "TPA: RNA binding motif protein, X-linked isoform 1 [Bos taurus]" 100.00 391 100.00 100.00 1.16e-58 TPG DAA13329 "TPA: RNA binding motif protein, X-linked isoform 2 [Bos taurus]" 58.95 352 100.00 100.00 1.84e-28 stop_ save_ save_RNA_AUCAAA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_AUCAAA _Molecular_mass 1883.228 _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence AUCAAA loop_ _Residue_seq_code _Residue_label 1 A 2 U 3 C 4 A 5 A 6 A 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 _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hnRNP_G_RRM human 9606 Eukaryota Metazoa . . $RNA_AUCAAA . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $hnRNP_G_RRM 'recombinant technology' . . . . pET28 $RNA_AUCAAA 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hnRNP_G_RRM 1 mM '[U-100% 15N]' $RNA_AUCAAA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 50 mM 'natural abundance' NaH2PO4 20 mM 'natural abundance' stop_ save_ save_15N_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hnRNP_G_RRM 1 mM '[U-100% 15N]' $RNA_AUCAAA 1 mM 'natural abundance' D2O 100 % 'natural abundance' NaCl 50 mM 'natural abundance' NaH2PO4 20 mM 'natural abundance' stop_ save_ save_13C_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hnRNP_G_RRM 1 mM '[U-100% 13C; U-100% 15N]' $RNA_AUCAAA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 50 mM 'natural abundance' NaH2PO4 20 mM 'natural abundance' stop_ save_ save_13C_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hnRNP_G_RRM 1 mM '[U-100% 13C; U-100% 15N]' $RNA_AUCAAA 1 mM 'natural abundance' D2O 100 % 'natural abundance' NaCl 50 mM 'natural abundance' NaH2PO4 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_H2O save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13C_H2O save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13C_H2O save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $15N_D2O save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $15N_D2O save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_H2O save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_H2O save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_H2O save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_H2O save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13C_H2O save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C_H2O save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_H2O save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 5.5 . pH pressure 1 . atm temperature 313 . 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 water C 13 protons ppm 4.7 internal direct . . . 1.0 water H 1 protons ppm 4.7 internal direct . . . 1.0 water N 15 protons ppm 4.7 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $13C_H2O $15N_H2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'hnRNP G RRM' _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 MET HA H 4.544 0.003 1 2 1 1 MET HB2 H 2.027 0.007 1 3 1 1 MET HB3 H 2.085 0.008 2 4 1 1 MET HG2 H 2.552 0.009 2 5 1 1 MET HG3 H 2.595 0.001 2 6 1 1 MET HE H 2.107 0.000 1 7 1 1 MET H H 8.372 0.003 1 8 1 1 MET CA C 55.594 0.050 1 9 1 1 MET CB C 33.122 0.030 1 10 1 1 MET CG C 32.182 0.038 1 11 1 1 MET CE C 17.121 0.000 1 12 1 1 MET N N 121.962 0.000 1 13 2 2 VAL H H 8.063 0.004 1 14 2 2 VAL HA H 4.240 0.002 1 15 2 2 VAL HB H 2.012 0.004 1 16 2 2 VAL HG1 H 0.879 0.002 2 17 2 2 VAL HG2 H 0.869 0.006 2 18 2 2 VAL HG1 H 0.879 0.002 2 19 2 2 VAL HG2 H 0.869 0.006 2 20 2 2 VAL CA C 61.832 0.017 1 21 2 2 VAL CB C 33.321 0.005 1 22 2 2 VAL CG1 C 21.483 0.014 2 23 2 2 VAL CG2 C 20.364 0.019 2 24 2 2 VAL N N 120.711 0.001 1 25 3 3 GLU H H 8.589 0.005 1 26 3 3 GLU HA H 4.432 0.005 1 27 3 3 GLU HB2 H 1.928 0.008 2 28 3 3 GLU HB3 H 2.051 0.007 2 29 3 3 GLU HG2 H 2.288 0.002 2 30 3 3 GLU HG3 H 2.288 0.002 2 31 3 3 GLU CA C 55.660 0.072 1 32 3 3 GLU CB C 31.558 0.028 1 33 3 3 GLU CG C 36.312 0.060 1 34 3 3 GLU N N 124.381 0.005 1 35 4 4 ALA H H 8.442 0.004 1 36 4 4 ALA HA H 4.284 0.001 1 37 4 4 ALA HB H 1.502 0.002 1 38 4 4 ALA CA C 53.537 0.000 1 39 4 4 ALA CB C 19.535 0.003 1 40 4 4 ALA N N 124.910 0.000 1 41 5 5 ASP H H 8.363 0.000 1 42 5 5 ASP HA H 4.643 0.001 1 43 5 5 ASP HB2 H 2.421 0.011 2 44 5 5 ASP HB3 H 2.663 0.002 2 45 5 5 ASP CB C 42.674 0.018 1 46 5 5 ASP N N 119.622 0.003 1 47 7 7 PRO HA H 4.651 0.002 1 48 7 7 PRO HB2 H 1.977 0.007 2 49 7 7 PRO HB3 H 2.453 0.003 2 50 7 7 PRO HG2 H 2.178 0.003 2 51 7 7 PRO HG3 H 2.178 0.003 2 52 7 7 PRO HD2 H 3.758 0.003 2 53 7 7 PRO HD3 H 3.992 0.007 2 54 7 7 PRO CA C 64.065 0.049 1 55 7 7 PRO CB C 31.924 0.055 1 56 7 7 PRO CG C 27.822 0.004 1 57 7 7 PRO CD C 51.060 0.014 1 58 8 8 GLY H H 8.879 0.005 1 59 8 8 GLY HA2 H 3.828 0.008 2 60 8 8 GLY HA3 H 4.196 0.009 2 61 8 8 GLY CA C 45.373 0.027 1 62 8 8 GLY N N 110.020 0.002 1 63 9 9 LYS H H 8.011 0.004 1 64 9 9 LYS HA H 5.137 0.006 1 65 9 9 LYS HB2 H 1.644 0.010 2 66 9 9 LYS HB3 H 2.160 0.004 2 67 9 9 LYS HG2 H 1.246 0.002 2 68 9 9 LYS HG3 H 1.515 0.009 2 69 9 9 LYS HD2 H 1.691 0.015 2 70 9 9 LYS HD3 H 1.691 0.015 2 71 9 9 LYS HE2 H 2.681 0.006 2 72 9 9 LYS HE3 H 2.808 0.009 2 73 9 9 LYS CA C 56.028 0.022 1 74 9 9 LYS CB C 35.188 0.021 1 75 9 9 LYS CG C 24.948 0.017 1 76 9 9 LYS CD C 30.615 0.008 1 77 9 9 LYS CE C 41.518 0.032 1 78 9 9 LYS N N 121.894 0.007 1 79 10 10 LEU H H 9.536 0.004 1 80 10 10 LEU HA H 4.980 0.005 1 81 10 10 LEU HB2 H 1.258 0.004 2 82 10 10 LEU HB3 H 1.764 0.002 2 83 10 10 LEU HG H 1.890 0.002 1 84 10 10 LEU HD1 H 0.971 0.005 2 85 10 10 LEU HD2 H 0.769 0.003 2 86 10 10 LEU CA C 53.494 0.067 1 87 10 10 LEU CB C 44.494 0.025 1 88 10 10 LEU CG C 26.541 0.011 1 89 10 10 LEU CD1 C 26.596 0.010 2 90 10 10 LEU CD2 C 22.649 0.037 2 91 10 10 LEU N N 127.289 0.004 1 92 11 11 PHE H H 9.386 0.006 1 93 11 11 PHE HA H 4.418 0.013 1 94 11 11 PHE HB2 H 2.693 0.011 2 95 11 11 PHE HB3 H 2.693 0.011 2 96 11 11 PHE HD1 H 6.348 0.015 3 97 11 11 PHE HD2 H 6.348 0.015 3 98 11 11 PHE HE1 H 6.648 0.004 3 99 11 11 PHE HE2 H 6.648 0.004 3 100 11 11 PHE HZ H 6.823 0.001 1 101 11 11 PHE CA C 57.168 0.041 1 102 11 11 PHE CB C 41.206 0.036 1 103 11 11 PHE CD1 C 130.718 0.011 3 104 11 11 PHE CE1 C 130.738 0.016 3 105 11 11 PHE CZ C 128.707 0.005 1 106 11 11 PHE N N 123.068 0.031 1 107 12 12 ILE H H 7.949 0.019 1 108 12 12 ILE HA H 4.813 0.005 1 109 12 12 ILE HB H 1.372 0.005 1 110 12 12 ILE HG12 H 0.912 0.011 2 111 12 12 ILE HG2 H 0.736 0.011 1 112 12 12 ILE HG13 H 0.985 0.002 2 113 12 12 ILE HG2 H 0.736 0.011 1 114 12 12 ILE HD1 H 0.187 0.004 1 115 12 12 ILE CB C 38.791 0.016 1 116 12 12 ILE CG1 C 28.227 0.018 1 117 12 12 ILE CG2 C 19.689 0.012 1 118 12 12 ILE CD1 C 14.505 0.006 1 119 12 12 ILE N N 127.476 0.014 1 120 13 13 GLY H H 8.939 0.011 1 121 13 13 GLY HA2 H 3.541 0.013 2 122 13 13 GLY HA3 H 4.614 0.016 2 123 13 13 GLY CA C 43.750 0.014 1 124 13 13 GLY N N 110.661 0.007 1 125 14 14 GLY H H 8.126 0.008 1 126 14 14 GLY HA2 H 3.813 0.006 2 127 14 14 GLY HA3 H 4.250 0.009 2 128 14 14 GLY CA C 45.776 0.057 1 129 14 14 GLY N N 107.213 0.002 1 130 15 15 LEU H H 7.621 0.002 1 131 15 15 LEU HA H 4.057 0.004 1 132 15 15 LEU HB2 H 1.095 0.005 2 133 15 15 LEU HB3 H 1.416 0.005 2 134 15 15 LEU HG H 1.246 0.006 1 135 15 15 LEU HD1 H 0.433 0.004 2 136 15 15 LEU HD2 H 0.846 0.004 2 137 15 15 LEU CA C 54.639 0.005 1 138 15 15 LEU CB C 43.295 0.009 1 139 15 15 LEU CG C 27.021 0.042 1 140 15 15 LEU CD1 C 26.529 0.018 2 141 15 15 LEU CD2 C 24.569 0.013 2 142 15 15 LEU N N 115.288 0.002 1 143 16 16 ASN H H 9.597 0.003 1 144 16 16 ASN HA H 4.573 0.001 1 145 16 16 ASN HB2 H 2.681 0.002 2 146 16 16 ASN HB3 H 3.501 0.003 2 147 16 16 ASN HD21 H 7.178 0.002 2 148 16 16 ASN HD22 H 8.178 0.002 2 149 16 16 ASN CB C 38.631 0.010 1 150 16 16 ASN N N 120.674 0.003 1 151 16 16 ASN ND2 N 113.661 0.005 1 152 17 17 THR H H 8.807 0.025 1 153 17 17 THR HA H 3.900 0.003 1 154 17 17 THR HB H 4.464 0.003 1 155 17 17 THR HG2 H 1.345 0.001 1 156 17 17 THR CA C 65.542 0.016 1 157 17 17 THR CB C 68.594 0.023 1 158 17 17 THR CG2 C 22.400 0.006 1 159 17 17 THR N N 122.538 0.010 1 160 18 18 GLU H H 8.757 0.002 1 161 18 18 GLU HA H 4.361 0.004 1 162 18 18 GLU HB2 H 1.781 0.002 2 163 18 18 GLU HB3 H 2.222 0.009 2 164 18 18 GLU HG2 H 2.282 0.004 2 165 18 18 GLU HG3 H 2.386 0.002 2 166 18 18 GLU CA C 56.413 0.009 1 167 18 18 GLU CB C 29.914 0.010 1 168 18 18 GLU CG C 36.527 0.054 1 169 18 18 GLU N N 118.149 0.001 1 170 19 19 THR H H 7.627 0.003 1 171 19 19 THR HA H 4.088 0.001 1 172 19 19 THR HB H 3.990 0.001 1 173 19 19 THR HG2 H 1.275 0.002 1 174 19 19 THR CA C 64.959 0.013 1 175 19 19 THR CB C 68.536 0.000 1 176 19 19 THR CG2 C 22.852 0.012 1 177 19 19 THR N N 119.146 0.001 1 178 20 20 ASN H H 8.076 0.004 1 179 20 20 ASN HA H 4.916 0.003 1 180 20 20 ASN HB2 H 2.948 0.002 2 181 20 20 ASN HB3 H 3.358 0.001 2 182 20 20 ASN HD21 H 6.850 0.001 2 183 20 20 ASN HD22 H 7.762 0.001 2 184 20 20 ASN CA C 50.998 0.027 1 185 20 20 ASN CB C 40.354 0.006 1 186 20 20 ASN N N 126.361 0.012 1 187 20 20 ASN ND2 N 111.799 0.008 1 188 21 21 GLU H H 10.233 0.002 1 189 21 21 GLU HA H 3.721 0.002 1 190 21 21 GLU HB2 H 2.034 0.003 2 191 21 21 GLU HB3 H 2.123 0.006 2 192 21 21 GLU HG2 H 2.156 0.011 2 193 21 21 GLU HG3 H 2.666 0.002 2 194 21 21 GLU CA C 61.820 0.008 1 195 21 21 GLU CB C 28.871 0.005 1 196 21 21 GLU CG C 37.855 0.010 1 197 21 21 GLU N N 118.317 0.003 1 198 22 22 LYS H H 7.920 0.004 1 199 22 22 LYS HA H 4.164 0.003 1 200 22 22 LYS HB2 H 1.894 0.009 2 201 22 22 LYS HB3 H 1.958 0.007 2 202 22 22 LYS HG2 H 1.544 0.004 2 203 22 22 LYS HG3 H 1.635 0.005 2 204 22 22 LYS HD2 H 1.767 0.004 2 205 22 22 LYS HD3 H 1.767 0.004 2 206 22 22 LYS HE2 H 3.064 0.011 2 207 22 22 LYS HE3 H 3.064 0.011 2 208 22 22 LYS CA C 58.795 0.032 1 209 22 22 LYS CB C 31.727 0.059 1 210 22 22 LYS CG C 24.998 0.025 1 211 22 22 LYS CD C 28.764 0.070 1 212 22 22 LYS CE C 42.258 0.025 1 213 22 22 LYS N N 118.930 0.003 1 214 23 23 ALA H H 7.915 0.005 1 215 23 23 ALA HA H 4.323 0.000 1 216 23 23 ALA HB H 1.683 0.001 1 217 23 23 ALA CA C 55.021 0.000 1 218 23 23 ALA CB C 19.024 0.005 1 219 23 23 ALA N N 123.201 0.001 1 220 24 24 LEU H H 7.760 0.005 1 221 24 24 LEU HA H 4.167 0.001 1 222 24 24 LEU HB2 H 1.190 0.003 2 223 24 24 LEU HB3 H 2.079 0.001 2 224 24 24 LEU HG H 1.754 0.002 1 225 24 24 LEU HD1 H 0.543 0.001 2 226 24 24 LEU HD2 H 0.777 0.011 2 227 24 24 LEU CA C 58.095 0.022 1 228 24 24 LEU CB C 42.458 0.009 1 229 24 24 LEU CG C 26.639 0.029 1 230 24 24 LEU CD1 C 25.922 0.021 2 231 24 24 LEU CD2 C 23.559 0.016 2 232 24 24 LEU N N 116.213 0.004 1 233 25 25 GLU H H 8.545 0.002 1 234 25 25 GLU HA H 3.763 0.002 1 235 25 25 GLU HB2 H 2.191 0.004 2 236 25 25 GLU HB3 H 2.200 0.003 2 237 25 25 GLU HG2 H 2.215 0.011 2 238 25 25 GLU HG3 H 2.371 0.000 2 239 25 25 GLU CA C 60.215 0.005 1 240 25 25 GLU CB C 29.849 0.011 1 241 25 25 GLU CG C 36.677 0.016 1 242 25 25 GLU N N 119.637 0.001 1 243 26 26 ALA H H 7.975 0.000 1 244 26 26 ALA HA H 4.198 0.001 1 245 26 26 ALA HB H 1.614 0.001 1 246 26 26 ALA CA C 55.081 0.002 1 247 26 26 ALA CB C 18.419 0.001 1 248 26 26 ALA N N 121.001 0.003 1 249 27 27 VAL H H 7.817 0.001 1 250 27 27 VAL HA H 3.943 0.002 1 251 27 27 VAL HB H 2.051 0.002 1 252 27 27 VAL HG1 H 1.114 0.002 2 253 27 27 VAL HG2 H 0.712 0.004 2 254 27 27 VAL HG1 H 1.114 0.002 2 255 27 27 VAL HG2 H 0.712 0.004 2 256 27 27 VAL CA C 65.247 0.006 1 257 27 27 VAL CB C 32.754 0.004 1 258 27 27 VAL CG1 C 22.471 0.015 2 259 27 27 VAL CG2 C 20.955 0.000 2 260 27 27 VAL N N 115.732 0.001 1 261 28 28 PHE H H 8.607 0.003 1 262 28 28 PHE HA H 4.642 0.001 1 263 28 28 PHE HB2 H 3.072 0.001 2 264 28 28 PHE HB3 H 3.378 0.006 2 265 28 28 PHE HD1 H 7.632 0.008 3 266 28 28 PHE HD2 H 7.632 0.008 3 267 28 28 PHE HE1 H 6.999 0.007 3 268 28 28 PHE HE2 H 6.999 0.007 3 269 28 28 PHE HZ H 7.053 0.002 1 270 28 28 PHE CA C 62.702 0.046 1 271 28 28 PHE CB C 38.284 0.026 1 272 28 28 PHE CD1 C 131.370 0.007 3 273 28 28 PHE CE1 C 130.837 0.032 3 274 28 28 PHE CZ C 129.109 0.000 1 275 28 28 PHE N N 115.329 0.006 1 276 29 29 GLY H H 8.425 0.000 1 277 29 29 GLY HA2 H 4.122 0.001 2 278 29 29 GLY HA3 H 4.481 0.001 2 279 29 29 GLY CA C 46.405 0.004 1 280 29 29 GLY N N 108.306 0.001 1 281 30 30 LYS H H 6.970 0.005 1 282 30 30 LYS HA H 4.096 0.002 1 283 30 30 LYS HB2 H 1.450 0.002 2 284 30 30 LYS HB3 H 1.600 0.001 2 285 30 30 LYS HG2 H 1.000 0.002 2 286 30 30 LYS HG3 H 1.142 0.002 2 287 30 30 LYS HD2 H 1.539 0.007 2 288 30 30 LYS HD3 H 1.539 0.007 2 289 30 30 LYS HE2 H 2.905 0.005 2 290 30 30 LYS HE3 H 2.905 0.005 2 291 30 30 LYS CA C 57.893 0.022 1 292 30 30 LYS CB C 31.996 0.017 1 293 30 30 LYS CG C 23.693 0.019 1 294 30 30 LYS CD C 29.003 0.050 1 295 30 30 LYS CE C 42.061 0.048 1 296 30 30 LYS N N 117.374 0.008 1 297 31 31 TYR H H 7.741 0.002 1 298 31 31 TYR HA H 4.295 0.002 1 299 31 31 TYR HB2 H 3.043 0.004 2 300 31 31 TYR HB3 H 3.270 0.003 2 301 31 31 TYR HD1 H 7.513 0.000 3 302 31 31 TYR HD2 H 7.513 0.000 3 303 31 31 TYR HE1 H 6.701 0.004 3 304 31 31 TYR HE2 H 6.701 0.004 3 305 31 31 TYR CA C 59.813 0.006 1 306 31 31 TYR CB C 38.793 0.024 1 307 31 31 TYR CD2 C 133.366 0.004 3 308 31 31 TYR CE2 C 118.270 0.017 3 309 31 31 TYR N N 115.689 0.006 1 310 32 32 GLY H H 7.401 0.003 1 311 32 32 GLY HA2 H 3.911 0.001 2 312 32 32 GLY HA3 H 4.978 0.002 2 313 32 32 GLY CA C 44.596 0.009 1 314 32 32 GLY N N 104.475 0.000 1 315 33 33 ARG H H 8.286 0.007 1 316 33 33 ARG HA H 4.282 0.002 1 317 33 33 ARG HB2 H 1.901 0.007 2 318 33 33 ARG HB3 H 1.901 0.007 2 319 33 33 ARG HG2 H 1.558 0.004 2 320 33 33 ARG HG3 H 1.769 0.004 2 321 33 33 ARG HD2 H 3.307 0.002 2 322 33 33 ARG HD3 H 3.307 0.002 2 323 33 33 ARG HE H 7.405 0.004 1 324 33 33 ARG CA C 57.903 0.016 1 325 33 33 ARG CB C 30.754 0.017 1 326 33 33 ARG CG C 27.877 0.035 1 327 33 33 ARG CD C 43.506 0.028 1 328 33 33 ARG N N 116.936 0.004 1 329 33 33 ARG NE N 85.092 0.041 1 330 34 34 ILE H H 8.797 0.004 1 331 34 34 ILE HA H 4.028 0.002 1 332 34 34 ILE HB H 1.662 0.001 1 333 34 34 ILE HG12 H 0.080 0.003 2 334 34 34 ILE HG2 H 0.549 0.003 1 335 34 34 ILE HG13 H 1.587 0.006 2 336 34 34 ILE HG2 H 0.549 0.003 1 337 34 34 ILE HD1 H 0.453 0.002 1 338 34 34 ILE CA C 60.851 0.009 1 339 34 34 ILE CB C 39.937 0.003 1 340 34 34 ILE CG1 C 27.879 0.006 1 341 34 34 ILE CG2 C 18.337 0.004 1 342 34 34 ILE CD1 C 13.606 0.001 1 343 34 34 ILE N N 128.703 0.002 1 344 35 35 VAL H H 8.859 0.001 1 345 35 35 VAL HA H 4.277 0.004 1 346 35 35 VAL HB H 1.991 0.005 1 347 35 35 VAL HG1 H 0.924 0.003 2 348 35 35 VAL HG2 H 0.795 0.005 2 349 35 35 VAL HG1 H 0.924 0.003 2 350 35 35 VAL HG2 H 0.795 0.005 2 351 35 35 VAL CA C 62.388 0.013 1 352 35 35 VAL CB C 33.054 0.056 1 353 35 35 VAL CG1 C 21.286 0.006 2 354 35 35 VAL CG2 C 19.850 0.003 2 355 35 35 VAL N N 122.207 0.005 1 356 36 36 GLU H H 7.228 0.003 1 357 36 36 GLU HA H 4.535 0.004 1 358 36 36 GLU HB2 H 1.931 0.013 2 359 36 36 GLU HB3 H 2.101 0.002 2 360 36 36 GLU HG2 H 1.926 0.016 2 361 36 36 GLU HG3 H 2.230 0.002 2 362 36 36 GLU CA C 56.844 0.021 1 363 36 36 GLU CB C 34.132 0.024 1 364 36 36 GLU CG C 37.375 0.022 1 365 36 36 GLU N N 118.922 0.003 1 366 37 37 VAL H H 8.607 0.010 1 367 37 37 VAL HA H 4.420 0.005 1 368 37 37 VAL HB H 2.072 0.003 1 369 37 37 VAL HG1 H 0.834 0.004 2 370 37 37 VAL HG2 H 0.901 0.007 2 371 37 37 VAL HG1 H 0.834 0.004 2 372 37 37 VAL HG2 H 0.901 0.007 2 373 37 37 VAL CA C 62.410 0.010 1 374 37 37 VAL CB C 33.908 0.017 1 375 37 37 VAL CG1 C 21.534 0.005 2 376 37 37 VAL CG2 C 21.880 0.007 2 377 37 37 VAL N N 126.068 0.003 1 378 38 38 LEU H H 9.052 0.005 1 379 38 38 LEU HA H 4.792 0.004 1 380 38 38 LEU HB2 H 1.540 0.006 2 381 38 38 LEU HB3 H 1.922 0.002 2 382 38 38 LEU HG H 1.575 0.004 1 383 38 38 LEU HD1 H 0.999 0.004 2 384 38 38 LEU HD2 H 0.981 0.006 2 385 38 38 LEU CA C 53.395 0.023 1 386 38 38 LEU CB C 44.538 0.013 1 387 38 38 LEU CG C 27.435 0.095 1 388 38 38 LEU CD1 C 25.274 0.017 2 389 38 38 LEU CD2 C 24.060 0.035 2 390 38 38 LEU N N 129.638 0.004 1 391 39 39 LEU H H 9.030 0.003 1 392 39 39 LEU HA H 4.400 0.006 1 393 39 39 LEU HB2 H 0.911 0.007 2 394 39 39 LEU HB3 H 1.941 0.003 2 395 39 39 LEU HG H 1.349 0.003 1 396 39 39 LEU HD1 H 0.887 0.004 2 397 39 39 LEU HD2 H 0.763 0.005 2 398 39 39 LEU CA C 53.997 0.025 1 399 39 39 LEU CB C 44.232 0.022 1 400 39 39 LEU CG C 27.280 0.036 1 401 39 39 LEU CD1 C 26.654 0.042 2 402 39 39 LEU CD2 C 23.625 0.012 2 403 39 39 LEU N N 128.599 0.002 1 404 40 40 MET H H 7.848 0.015 1 405 40 40 MET HA H 4.595 0.003 1 406 40 40 MET HB2 H 1.096 0.012 2 407 40 40 MET HB3 H 1.307 0.013 2 408 40 40 MET HG2 H 2.119 0.011 2 409 40 40 MET HG3 H 2.389 0.009 2 410 40 40 MET HE H 2.360 0.001 1 411 40 40 MET CA C 54.617 0.014 1 412 40 40 MET CB C 29.778 0.009 1 413 40 40 MET CG C 32.471 0.028 1 414 40 40 MET CE C 17.062 0.004 1 415 40 40 MET N N 125.937 0.029 1 416 41 41 LYS H H 8.444 0.003 1 417 41 41 LYS HA H 4.911 0.002 1 418 41 41 LYS HB2 H 1.447 0.021 2 419 41 41 LYS HB3 H 1.575 0.006 2 420 41 41 LYS HG2 H 1.105 0.003 2 421 41 41 LYS HG3 H 1.398 0.005 2 422 41 41 LYS HD2 H 1.573 0.004 2 423 41 41 LYS HD3 H 1.659 0.000 2 424 41 41 LYS HE2 H 2.956 0.005 2 425 41 41 LYS HE3 H 2.956 0.005 2 426 41 41 LYS CA C 54.708 0.004 1 427 41 41 LYS CB C 36.342 0.017 1 428 41 41 LYS CG C 25.017 0.013 1 429 41 41 LYS CD C 29.225 0.033 1 430 41 41 LYS CE C 42.480 0.031 1 431 41 41 LYS N N 122.049 0.005 1 432 42 42 ASP H H 8.864 0.007 1 433 42 42 ASP HA H 4.685 0.007 1 434 42 42 ASP HB2 H 2.631 0.002 2 435 42 42 ASP HB3 H 3.029 0.002 2 436 42 42 ASP CB C 43.050 0.064 1 437 42 42 ASP N N 123.896 0.002 1 438 43 43 ARG H H 8.983 0.010 1 439 43 43 ARG HA H 4.155 0.003 1 440 43 43 ARG HB2 H 1.973 0.005 2 441 43 43 ARG HB3 H 1.973 0.005 2 442 43 43 ARG HG2 H 1.779 0.005 2 443 43 43 ARG HG3 H 1.779 0.005 2 444 43 43 ARG HD2 H 3.265 0.003 2 445 43 43 ARG HD3 H 3.265 0.003 2 446 43 43 ARG CA C 58.790 0.026 1 447 43 43 ARG CB C 30.330 0.018 1 448 43 43 ARG CG C 27.257 0.000 1 449 43 43 ARG CD C 43.471 0.018 1 450 43 43 ARG N N 126.892 0.008 1 451 44 44 GLU H H 8.687 0.000 1 452 44 44 GLU HA H 4.371 0.003 1 453 44 44 GLU HB2 H 2.226 0.014 2 454 44 44 GLU HB3 H 2.226 0.014 2 455 44 44 GLU HG2 H 2.382 0.008 2 456 44 44 GLU HG3 H 2.382 0.008 2 457 44 44 GLU CA C 58.683 0.004 1 458 44 44 GLU CB C 30.160 0.032 1 459 44 44 GLU CG C 36.614 0.002 1 460 44 44 GLU N N 117.468 0.001 1 461 45 45 THR H H 8.172 0.012 1 462 45 45 THR HA H 4.447 0.004 1 463 45 45 THR HB H 4.438 0.009 1 464 45 45 THR HG2 H 1.287 0.002 1 465 45 45 THR CA C 61.838 0.009 1 466 45 45 THR CB C 71.163 0.020 1 467 45 45 THR CG2 C 21.426 0.002 1 468 45 45 THR N N 107.088 0.000 1 469 46 46 ASN H H 8.389 0.004 1 470 46 46 ASN HA H 4.496 0.005 1 471 46 46 ASN HB2 H 2.897 0.003 2 472 46 46 ASN HB3 H 3.235 0.001 2 473 46 46 ASN HD21 H 6.845 0.004 2 474 46 46 ASN HD22 H 7.500 0.002 2 475 46 46 ASN CA C 55.027 0.004 1 476 46 46 ASN CB C 38.541 0.003 1 477 46 46 ASN N N 117.525 0.049 1 478 46 46 ASN ND2 N 111.998 0.020 1 479 47 47 LYS H H 7.649 0.002 1 480 47 47 LYS HA H 4.457 0.011 1 481 47 47 LYS HB2 H 1.752 0.002 2 482 47 47 LYS HB3 H 1.895 0.001 2 483 47 47 LYS HG2 H 1.546 0.003 2 484 47 47 LYS HG3 H 1.758 0.003 2 485 47 47 LYS HD2 H 1.761 0.005 2 486 47 47 LYS HD3 H 1.761 0.005 2 487 47 47 LYS HE2 H 3.077 0.011 2 488 47 47 LYS HE3 H 3.077 0.011 2 489 47 47 LYS CA C 55.547 0.054 1 490 47 47 LYS CB C 34.068 0.015 1 491 47 47 LYS CG C 25.034 0.047 1 492 47 47 LYS CD C 28.938 0.083 1 493 47 47 LYS CE C 42.350 0.007 1 494 47 47 LYS N N 117.695 0.002 1 495 48 48 SER H H 8.787 0.001 1 496 48 48 SER HA H 4.384 0.004 1 497 48 48 SER HB2 H 4.040 0.012 2 498 48 48 SER HB3 H 4.109 0.015 2 499 48 48 SER CA C 58.462 0.000 1 500 48 48 SER CB C 64.621 0.004 1 501 48 48 SER N N 116.260 0.018 1 502 49 49 ARG H H 9.079 0.008 1 503 49 49 ARG HA H 4.459 0.008 1 504 49 49 ARG HB2 H 1.091 0.005 2 505 49 49 ARG HB3 H 2.424 0.011 2 506 49 49 ARG HG2 H 1.610 0.007 2 507 49 49 ARG HG3 H 1.860 0.010 2 508 49 49 ARG HD2 H 2.900 0.013 2 509 49 49 ARG HD3 H 3.238 0.005 2 510 49 49 ARG HE H 7.459 0.013 1 511 49 49 ARG CA C 56.741 0.000 1 512 49 49 ARG CB C 31.900 0.009 1 513 49 49 ARG CG C 27.362 0.065 1 514 49 49 ARG CD C 44.522 0.051 1 515 49 49 ARG N N 124.026 0.008 1 516 49 49 ARG NE N 84.000 0.084 1 517 50 50 GLY H H 9.178 0.010 1 518 50 50 GLY HA2 H 3.311 0.003 2 519 50 50 GLY HA3 H 4.271 0.009 2 520 50 50 GLY CA C 45.848 0.007 1 521 50 50 GLY N N 106.539 0.001 1 522 51 51 PHE H H 7.004 0.008 1 523 51 51 PHE HA H 5.296 0.003 1 524 51 51 PHE HB2 H 2.786 0.005 2 525 51 51 PHE HB3 H 3.203 0.016 2 526 51 51 PHE HD1 H 6.889 0.003 3 527 51 51 PHE HD2 H 6.889 0.003 3 528 51 51 PHE HE1 H 7.443 0.002 3 529 51 51 PHE HE2 H 7.443 0.002 3 530 51 51 PHE HZ H 7.289 0.009 1 531 51 51 PHE CA C 55.113 0.010 1 532 51 51 PHE CB C 41.402 0.011 1 533 51 51 PHE CD1 C 133.106 0.015 3 534 51 51 PHE CE1 C 131.461 0.025 3 535 51 51 PHE CZ C 128.969 0.042 1 536 51 51 PHE N N 112.056 0.006 1 537 52 52 ALA H H 8.832 0.014 1 538 52 52 ALA HA H 4.839 0.009 1 539 52 52 ALA HB H 0.927 0.006 1 540 52 52 ALA CA C 49.666 0.000 1 541 52 52 ALA CB C 25.592 0.003 1 542 52 52 ALA N N 120.974 0.001 1 543 53 53 PHE H H 8.710 0.013 1 544 53 53 PHE HA H 5.673 0.008 1 545 53 53 PHE HB2 H 2.663 0.011 2 546 53 53 PHE HB3 H 2.766 0.007 2 547 53 53 PHE HD1 H 6.958 0.010 3 548 53 53 PHE HD2 H 6.958 0.010 3 549 53 53 PHE HE1 H 7.066 0.007 3 550 53 53 PHE HE2 H 7.066 0.007 3 551 53 53 PHE HZ H 6.745 0.010 1 552 53 53 PHE CA C 56.140 0.010 1 553 53 53 PHE CB C 42.661 0.018 1 554 53 53 PHE CD1 C 131.798 0.017 3 555 53 53 PHE CE1 C 130.048 0.032 3 556 53 53 PHE CZ C 127.973 0.021 1 557 53 53 PHE N N 113.680 0.003 1 558 54 54 VAL H H 8.800 0.010 1 559 54 54 VAL HA H 4.680 0.001 1 560 54 54 VAL HB H 1.437 0.002 1 561 54 54 VAL HG1 H 0.478 0.009 2 562 54 54 VAL HG2 H 0.409 0.007 2 563 54 54 VAL HG1 H 0.478 0.009 2 564 54 54 VAL HG2 H 0.409 0.007 2 565 54 54 VAL CB C 35.343 0.005 1 566 54 54 VAL CG1 C 21.856 0.001 2 567 54 54 VAL CG2 C 21.576 0.002 2 568 54 54 VAL N N 124.889 0.002 1 569 55 55 THR H H 8.943 0.011 1 570 55 55 THR HA H 5.159 0.003 1 571 55 55 THR HB H 3.882 0.001 1 572 55 55 THR HG2 H 1.043 0.002 1 573 55 55 THR CA C 61.912 0.005 1 574 55 55 THR CB C 69.698 0.013 1 575 55 55 THR CG2 C 21.652 0.003 1 576 55 55 THR N N 123.052 0.002 1 577 56 56 PHE H H 8.917 0.004 1 578 56 56 PHE HA H 4.815 0.004 1 579 56 56 PHE HB2 H 2.853 0.001 2 580 56 56 PHE HB3 H 3.732 0.003 2 581 56 56 PHE HD1 H 7.276 0.003 3 582 56 56 PHE HD2 H 7.276 0.003 3 583 56 56 PHE HE1 H 7.276 0.003 3 584 56 56 PHE HE2 H 7.276 0.003 3 585 56 56 PHE HZ H 7.674 0.002 1 586 56 56 PHE CA C 58.294 0.038 1 587 56 56 PHE CB C 40.666 0.037 1 588 56 56 PHE CD2 C 131.554 0.013 3 589 56 56 PHE CE2 C 131.554 0.013 3 590 56 56 PHE CZ C 129.656 0.000 1 591 56 56 PHE N N 128.514 0.002 1 592 57 57 GLU H H 8.240 0.007 1 593 57 57 GLU HA H 3.952 0.002 1 594 57 57 GLU HB2 H 1.936 0.006 2 595 57 57 GLU HB3 H 2.252 0.005 2 596 57 57 GLU HG2 H 2.282 0.016 2 597 57 57 GLU HG3 H 2.282 0.016 2 598 57 57 GLU CA C 59.502 0.002 1 599 57 57 GLU CB C 30.551 0.029 1 600 57 57 GLU CG C 36.504 0.064 1 601 57 57 GLU N N 121.809 0.002 1 602 58 58 SER H H 9.461 0.003 1 603 58 58 SER HA H 5.333 0.002 1 604 58 58 SER HB2 H 4.077 0.004 2 605 58 58 SER HB3 H 4.077 0.004 2 606 58 58 SER CA C 53.261 0.011 1 607 58 58 SER CB C 64.505 0.003 1 608 58 58 SER N N 112.478 0.003 1 609 59 59 PRO HA H 4.148 0.002 1 610 59 59 PRO HB2 H 2.108 0.005 2 611 59 59 PRO HB3 H 2.314 0.004 2 612 59 59 PRO HG2 H 1.914 0.003 2 613 59 59 PRO HG3 H 2.294 0.003 2 614 59 59 PRO HD2 H 4.089 0.007 2 615 59 59 PRO HD3 H 4.222 0.004 2 616 59 59 PRO CA C 65.069 0.005 1 617 59 59 PRO CB C 32.402 0.016 1 618 59 59 PRO CG C 28.008 0.006 1 619 59 59 PRO CD C 51.694 0.014 1 620 60 60 ALA H H 7.957 0.002 1 621 60 60 ALA HA H 4.098 0.001 1 622 60 60 ALA HB H 1.477 0.002 1 623 60 60 ALA CA C 55.355 0.001 1 624 60 60 ALA CB C 18.413 0.002 1 625 60 60 ALA N N 120.882 0.001 1 626 61 61 ASP H H 7.157 0.003 1 627 61 61 ASP HA H 4.304 0.001 1 628 61 61 ASP HB2 H 2.602 0.002 2 629 61 61 ASP HB3 H 2.843 0.005 2 630 61 61 ASP CA C 56.972 0.001 1 631 61 61 ASP CB C 40.288 0.015 1 632 61 61 ASP N N 120.196 0.002 1 633 62 62 ALA H H 6.901 0.001 1 634 62 62 ALA HA H 3.267 0.002 1 635 62 62 ALA HB H 1.565 0.001 1 636 62 62 ALA CA C 54.367 0.011 1 637 62 62 ALA CB C 19.004 0.004 1 638 62 62 ALA N N 119.636 0.001 1 639 63 63 LYS H H 7.605 0.005 1 640 63 63 LYS HA H 3.975 0.002 1 641 63 63 LYS HB2 H 1.977 0.004 2 642 63 63 LYS HB3 H 1.977 0.004 2 643 63 63 LYS HG2 H 1.488 0.013 2 644 63 63 LYS HG3 H 1.687 0.005 2 645 63 63 LYS HD2 H 1.770 0.004 2 646 63 63 LYS HD3 H 1.770 0.004 2 647 63 63 LYS HE2 H 3.045 0.015 2 648 63 63 LYS HE3 H 3.045 0.015 2 649 63 63 LYS CA C 59.638 0.015 1 650 63 63 LYS CB C 32.046 0.008 1 651 63 63 LYS CG C 25.338 0.029 1 652 63 63 LYS CD C 29.516 0.021 1 653 63 63 LYS CE C 42.299 0.033 1 654 63 63 LYS N N 117.322 0.003 1 655 64 64 ASP H H 7.488 0.002 1 656 64 64 ASP HA H 4.364 0.003 1 657 64 64 ASP HB2 H 2.796 0.001 2 658 64 64 ASP HB3 H 3.014 0.002 2 659 64 64 ASP CA C 57.495 0.005 1 660 64 64 ASP CB C 40.504 0.004 1 661 64 64 ASP N N 120.944 0.003 1 662 65 65 ALA H H 7.806 0.003 1 663 65 65 ALA HA H 2.353 0.001 1 664 65 65 ALA HB H 1.089 0.002 1 665 65 65 ALA CA C 54.483 0.001 1 666 65 65 ALA CB C 19.852 0.003 1 667 65 65 ALA N N 122.197 0.002 1 668 66 66 ALA H H 8.247 0.004 1 669 66 66 ALA HA H 3.859 0.001 1 670 66 66 ALA HB H 1.435 0.001 1 671 66 66 ALA CA C 55.381 0.006 1 672 66 66 ALA CB C 17.814 0.003 1 673 66 66 ALA N N 118.722 0.002 1 674 67 67 ARG H H 7.803 0.002 1 675 67 67 ARG HA H 4.106 0.005 1 676 67 67 ARG HB2 H 2.032 0.002 2 677 67 67 ARG HB3 H 2.032 0.002 2 678 67 67 ARG HG2 H 1.724 0.003 2 679 67 67 ARG HG3 H 1.861 0.003 2 680 67 67 ARG HD2 H 3.317 0.012 2 681 67 67 ARG HD3 H 3.366 0.009 2 682 67 67 ARG CA C 58.934 0.033 1 683 67 67 ARG CB C 30.152 0.009 1 684 67 67 ARG CG C 27.273 0.021 1 685 67 67 ARG CD C 43.562 0.012 1 686 67 67 ARG N N 116.529 0.019 1 687 68 68 ASP H H 7.800 0.000 1 688 68 68 ASP HA H 4.732 0.001 1 689 68 68 ASP HB2 H 2.597 0.002 2 690 68 68 ASP HB3 H 2.791 0.002 2 691 68 68 ASP CB C 42.683 0.010 1 692 68 68 ASP N N 116.394 0.005 1 693 69 69 MET H H 8.203 0.003 1 694 69 69 MET HA H 4.902 0.002 1 695 69 69 MET HB2 H 1.988 0.004 2 696 69 69 MET HB3 H 2.183 0.004 2 697 69 69 MET HG2 H 2.485 0.004 2 698 69 69 MET HG3 H 2.485 0.004 2 699 69 69 MET HE H 1.720 0.002 1 700 69 69 MET CA C 53.703 0.022 1 701 69 69 MET CB C 32.130 0.026 1 702 69 69 MET CG C 32.089 0.015 1 703 69 69 MET CE C 15.059 0.017 1 704 69 69 MET N N 111.832 0.002 1 705 70 70 ASN H H 7.724 0.010 1 706 70 70 ASN HA H 4.459 0.001 1 707 70 70 ASN HB2 H 3.035 0.002 2 708 70 70 ASN HB3 H 3.547 0.007 2 709 70 70 ASN HD21 H 7.114 0.001 2 710 70 70 ASN HD22 H 7.740 0.001 2 711 70 70 ASN CA C 56.973 0.007 1 712 70 70 ASN CB C 38.772 0.027 1 713 70 70 ASN N N 116.507 0.001 1 714 70 70 ASN ND2 N 114.428 0.014 1 715 71 71 GLY H H 9.065 0.007 1 716 71 71 GLY HA2 H 3.792 0.001 2 717 71 71 GLY HA3 H 4.318 0.004 2 718 71 71 GLY CA C 45.945 0.012 1 719 71 71 GLY N N 117.038 0.001 1 720 72 72 LYS H H 7.949 0.003 1 721 72 72 LYS HA H 4.435 0.004 1 722 72 72 LYS HB2 H 1.896 0.001 2 723 72 72 LYS HB3 H 2.079 0.004 2 724 72 72 LYS HG2 H 1.372 0.002 2 725 72 72 LYS HG3 H 1.817 0.002 2 726 72 72 LYS HD2 H 1.816 0.005 2 727 72 72 LYS HD3 H 1.816 0.005 2 728 72 72 LYS HE2 H 3.134 0.011 2 729 72 72 LYS HE3 H 3.160 0.008 2 730 72 72 LYS CA C 55.424 0.026 1 731 72 72 LYS CB C 33.056 0.041 1 732 72 72 LYS CG C 26.040 0.022 1 733 72 72 LYS CD C 28.521 0.036 1 734 72 72 LYS CE C 42.828 0.059 1 735 72 72 LYS N N 120.950 0.026 1 736 73 73 SER H H 8.078 0.003 1 737 73 73 SER HA H 5.076 0.001 1 738 73 73 SER HB2 H 3.637 0.015 2 739 73 73 SER HB3 H 3.667 0.006 2 740 73 73 SER CA C 57.821 0.000 1 741 73 73 SER CB C 64.481 0.004 1 742 73 73 SER N N 112.847 0.001 1 743 74 74 LEU H H 9.069 0.002 1 744 74 74 LEU HA H 4.591 0.010 1 745 74 74 LEU HB2 H 1.268 0.004 2 746 74 74 LEU HB3 H 1.880 0.004 2 747 74 74 LEU HG H 1.558 0.006 1 748 74 74 LEU HD1 H 0.855 0.007 2 749 74 74 LEU HD2 H 0.949 0.015 2 750 74 74 LEU CA C 54.810 0.015 1 751 74 74 LEU CB C 44.722 0.031 1 752 74 74 LEU CG C 28.011 0.042 1 753 74 74 LEU CD1 C 25.975 0.012 2 754 74 74 LEU CD2 C 24.856 0.007 2 755 74 74 LEU N N 127.515 0.002 1 756 75 75 ASP H H 9.565 0.004 1 757 75 75 ASP HA H 4.341 0.001 1 758 75 75 ASP HB2 H 2.544 0.002 2 759 75 75 ASP HB3 H 2.926 0.001 2 760 75 75 ASP CA C 55.686 0.013 1 761 75 75 ASP CB C 39.429 0.015 1 762 75 75 ASP N N 128.803 0.011 1 763 76 76 GLY H H 8.447 0.001 1 764 76 76 GLY HA2 H 3.634 0.001 2 765 76 76 GLY HA3 H 4.197 0.001 2 766 76 76 GLY CA C 45.659 0.010 1 767 76 76 GLY N N 101.959 0.000 1 768 77 77 LYS H H 7.417 0.002 1 769 77 77 LYS HA H 4.712 0.003 1 770 77 77 LYS HB2 H 1.798 0.001 2 771 77 77 LYS HB3 H 2.062 0.002 2 772 77 77 LYS HG2 H 1.447 0.004 2 773 77 77 LYS HG3 H 1.485 0.008 2 774 77 77 LYS HD2 H 1.722 0.003 2 775 77 77 LYS HD3 H 1.791 0.005 2 776 77 77 LYS HE2 H 3.056 0.014 2 777 77 77 LYS HE3 H 3.056 0.014 2 778 77 77 LYS CB C 34.902 0.012 1 779 77 77 LYS CG C 24.454 0.027 1 780 77 77 LYS CD C 28.028 0.016 1 781 77 77 LYS CE C 42.426 0.000 1 782 77 77 LYS N N 120.026 0.010 1 783 78 78 ALA H H 8.304 0.006 1 784 78 78 ALA HA H 4.537 0.001 1 785 78 78 ALA HB H 1.271 0.002 1 786 78 78 ALA CA C 51.602 0.002 1 787 78 78 ALA CB C 18.228 0.001 1 788 78 78 ALA N N 125.190 0.000 1 789 79 79 ILE H H 8.293 0.005 1 790 79 79 ILE HA H 4.843 0.003 1 791 79 79 ILE HB H 1.939 0.005 1 792 79 79 ILE HG12 H 1.532 0.002 2 793 79 79 ILE HG2 H 0.923 0.004 1 794 79 79 ILE HG13 H 1.532 0.002 2 795 79 79 ILE HG2 H 0.923 0.004 1 796 79 79 ILE HD1 H 0.797 0.005 1 797 79 79 ILE CA C 60.777 0.042 1 798 79 79 ILE CB C 40.554 0.008 1 799 79 79 ILE CG1 C 24.463 0.004 1 800 79 79 ILE CG2 C 18.607 0.004 1 801 79 79 ILE CD1 C 14.871 0.004 1 802 79 79 ILE N N 119.566 0.002 1 803 80 80 LYS H H 8.552 0.006 1 804 80 80 LYS HA H 5.003 0.003 1 805 80 80 LYS HB2 H 1.676 0.018 2 806 80 80 LYS HB3 H 1.786 0.012 2 807 80 80 LYS HG2 H 1.385 0.004 2 808 80 80 LYS HG3 H 1.607 0.006 2 809 80 80 LYS HD2 H 1.884 0.002 2 810 80 80 LYS HD3 H 1.884 0.002 2 811 80 80 LYS HE2 H 3.101 0.003 2 812 80 80 LYS HE3 H 3.101 0.003 2 813 80 80 LYS CA C 54.328 0.031 1 814 80 80 LYS CB C 34.970 0.015 1 815 80 80 LYS CG C 25.298 0.028 1 816 80 80 LYS CD C 29.403 0.018 1 817 80 80 LYS CE C 42.298 0.008 1 818 80 80 LYS N N 123.948 0.008 1 819 81 81 VAL H H 8.753 0.001 1 820 81 81 VAL HA H 5.300 0.002 1 821 81 81 VAL HB H 1.997 0.002 1 822 81 81 VAL HG1 H 0.977 0.001 2 823 81 81 VAL HG2 H 1.083 0.002 2 824 81 81 VAL HG1 H 0.977 0.001 2 825 81 81 VAL HG2 H 1.083 0.002 2 826 81 81 VAL CA C 61.023 0.004 1 827 81 81 VAL CB C 34.701 0.004 1 828 81 81 VAL CG1 C 23.945 0.000 2 829 81 81 VAL CG2 C 22.060 0.007 2 830 81 81 VAL N N 123.950 0.003 1 831 82 82 GLU H H 9.060 0.002 1 832 82 82 GLU HA H 4.753 0.009 1 833 82 82 GLU HB2 H 2.093 0.004 2 834 82 82 GLU HB3 H 2.384 0.006 2 835 82 82 GLU HG2 H 2.470 0.001 2 836 82 82 GLU HG3 H 2.470 0.001 2 837 82 82 GLU CB C 34.973 0.053 1 838 82 82 GLU CG C 35.860 0.035 1 839 82 82 GLU N N 123.264 0.003 1 840 83 83 GLN H H 8.790 0.008 1 841 83 83 GLN HA H 4.338 0.006 1 842 83 83 GLN HB2 H 2.110 0.010 2 843 83 83 GLN HB3 H 2.276 0.009 2 844 83 83 GLN HG2 H 2.454 0.005 2 845 83 83 GLN HG3 H 2.535 0.011 2 846 83 83 GLN HE21 H 7.061 0.003 2 847 83 83 GLN HE22 H 7.884 0.002 2 848 83 83 GLN CA C 57.364 0.056 1 849 83 83 GLN CB C 28.986 0.021 1 850 83 83 GLN CG C 33.653 0.039 1 851 83 83 GLN N N 121.972 0.019 1 852 83 83 GLN NE2 N 115.590 0.019 1 853 84 84 ALA H H 9.051 0.008 1 854 84 84 ALA HA H 5.276 0.036 1 855 84 84 ALA HB H 1.737 0.008 1 856 84 84 ALA CA C 52.862 0.039 1 857 84 84 ALA CB C 19.761 0.005 1 858 84 84 ALA N N 129.351 0.004 1 859 85 85 THR HA H 4.767 0.006 1 860 85 85 THR HB H 4.224 0.005 1 861 85 85 THR HG2 H 1.056 0.002 1 862 85 85 THR CB C 70.557 0.033 1 863 85 85 THR CG2 C 21.471 0.008 1 864 86 86 LYS H H 8.517 0.017 1 865 86 86 LYS HA H 4.460 0.015 1 866 86 86 LYS HB2 H 1.618 0.005 2 867 86 86 LYS HB3 H 1.730 0.005 2 868 86 86 LYS HG2 H 1.299 0.019 2 869 86 86 LYS HG3 H 1.361 0.009 2 870 86 86 LYS HD2 H 1.638 0.009 2 871 86 86 LYS HD3 H 1.638 0.009 2 872 86 86 LYS HE2 H 2.993 0.006 2 873 86 86 LYS HE3 H 2.993 0.006 2 874 86 86 LYS CB C 32.313 0.014 1 875 86 86 LYS CG C 25.208 0.023 1 876 86 86 LYS CD C 29.392 0.061 1 877 86 86 LYS CE C 42.190 0.012 1 878 86 86 LYS N N 120.733 0.034 1 879 87 87 PRO HA H 4.433 0.002 1 880 87 87 PRO HB2 H 1.373 0.008 2 881 87 87 PRO HB3 H 1.826 0.006 2 882 87 87 PRO HG2 H 1.594 0.007 2 883 87 87 PRO HG3 H 1.594 0.007 2 884 87 87 PRO HD2 H 3.355 0.002 2 885 87 87 PRO HD3 H 3.466 0.006 2 886 87 87 PRO CA C 63.096 0.039 1 887 87 87 PRO CB C 32.118 0.029 1 888 87 87 PRO CG C 26.913 0.022 1 889 87 87 PRO CD C 50.157 0.006 1 890 88 88 SER H H 8.508 0.017 1 891 88 88 SER HA H 4.262 0.005 1 892 88 88 SER HB2 H 3.795 0.008 2 893 88 88 SER HB3 H 3.815 0.006 2 894 88 88 SER CA C 59.204 0.000 1 895 88 88 SER CB C 63.891 0.010 1 896 88 88 SER N N 117.293 0.007 1 897 89 89 PHE H H 7.930 0.020 1 898 89 89 PHE HA H 4.643 0.010 1 899 89 89 PHE HB2 H 3.026 0.007 2 900 89 89 PHE HB3 H 3.026 0.007 2 901 89 89 PHE HD1 H 7.048 0.003 3 902 89 89 PHE HD2 H 7.048 0.003 3 903 89 89 PHE HE1 H 7.186 0.010 3 904 89 89 PHE HE2 H 7.186 0.010 3 905 89 89 PHE HZ H 7.148 0.002 1 906 89 89 PHE CA C 57.469 0.000 1 907 89 89 PHE CB C 39.240 0.000 1 908 89 89 PHE CD1 C 131.685 0.042 3 909 89 89 PHE CE1 C 131.414 0.053 3 910 89 89 PHE CZ C 129.720 0.037 1 911 89 89 PHE N N 120.710 0.000 1 912 90 90 GLU H H 8.099 0.013 1 913 90 90 GLU HA H 4.287 0.002 1 914 90 90 GLU HB2 H 1.850 0.004 2 915 90 90 GLU HB3 H 2.037 0.003 2 916 90 90 GLU HG2 H 2.162 0.004 2 917 90 90 GLU HG3 H 2.162 0.004 2 918 90 90 GLU CA C 56.701 0.021 1 919 90 90 GLU CB C 30.383 0.029 1 920 90 90 GLU CG C 36.187 0.013 1 921 90 90 GLU N N 121.794 0.008 1 922 91 91 SER H H 8.194 0.003 1 923 91 91 SER HA H 4.419 0.005 1 924 91 91 SER HB2 H 3.911 0.012 2 925 91 91 SER HB3 H 3.937 0.010 2 926 91 91 SER CA C 59.090 0.059 1 927 91 91 SER CB C 64.011 0.032 1 928 91 91 SER N N 116.607 0.006 1 929 92 92 GLY H H 8.395 0.004 1 930 92 92 GLY HA2 H 4.024 0.006 2 931 92 92 GLY CA C 45.493 0.011 1 932 92 92 GLY N N 110.531 0.000 1 933 93 93 ARG H H 8.046 0.003 1 934 93 93 ARG HA H 4.398 0.007 1 935 93 93 ARG HB2 H 1.899 0.007 2 936 93 93 ARG HB3 H 1.899 0.007 2 937 93 93 ARG HG2 H 1.652 0.008 2 938 93 93 ARG HG3 H 1.652 0.008 2 939 93 93 ARG HD2 H 3.230 0.010 2 940 93 93 ARG HD3 H 3.230 0.010 2 941 93 93 ARG CA C 56.203 0.012 1 942 93 93 ARG CB C 31.056 0.025 1 943 93 93 ARG CG C 27.184 0.003 1 944 93 93 ARG CD C 43.557 0.000 1 945 93 93 ARG N N 120.515 0.021 1 946 94 94 ARG H H 8.403 0.001 1 947 94 94 ARG HA H 4.408 0.005 1 948 94 94 ARG HB2 H 1.802 0.005 2 949 94 94 ARG HB3 H 1.802 0.005 2 950 94 94 ARG CB C 31.051 0.042 1 951 94 94 ARG N N 123.050 0.004 1 952 95 95 GLY H H 7.971 0.005 1 953 95 95 GLY HA2 H 3.811 0.003 2 954 95 95 GLY CA C 46.089 0.000 1 955 95 95 GLY N N 116.405 0.000 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $13C_H2O $15N_H2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (5'-R(*AP*UP*CP*AP*AP*A)-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 A H1' H 6.153 0.006 1 2 1 1 A H2 H 8.275 0.000 1 3 1 1 A H2' H 4.960 0.007 2 4 1 1 A H3' H 4.823 0.007 1 5 1 1 A H4' H 4.534 0.000 1 6 1 1 A H5'' H 4.263 0.000 2 7 1 1 A H5' H 4.342 0.000 2 8 1 1 A H8 H 8.410 0.000 1 9 2 2 U H1' H 5.992 0.004 1 10 2 2 U H2' H 4.453 0.002 1 11 2 2 U H4' H 4.546 0.000 1 12 2 2 U H5' H 4.257 0.000 1 13 2 2 U H5 H 4.310 0.000 2 14 2 2 U H6 H 7.890 0.011 1 15 3 3 C H1' H 6.018 0.020 1 16 3 3 C H2' H 5.068 0.007 2 17 3 3 C H3' H 4.440 0.000 1 18 3 3 C H4' H 4.544 0.001 1 19 3 3 C H5' H 4.259 0.005 1 20 3 3 C H5 H 4.345 0.006 2 21 3 3 C H6 H 7.702 0.000 1 22 4 4 A H1' H 6.385 0.004 1 23 4 4 A H2' H 5.084 0.002 2 24 4 4 A H3' H 4.888 0.003 1 25 4 4 A H4' H 4.228 0.002 1 26 4 4 A H8 H 8.621 0.003 1 27 5 5 A H1' H 6.334 0.006 1 28 5 5 A H2' H 4.668 0.002 2 29 5 5 A H3' H 4.961 0.002 1 30 5 5 A H4' H 4.866 0.000 1 31 5 5 A H8 H 8.819 0.009 1 32 6 6 A H1' H 6.067 0.001 1 33 6 6 A H2 H 8.236 0.001 1 34 6 6 A H2' H 4.670 0.001 2 35 6 6 A H3' H 4.587 0.001 1 36 6 6 A H4' H 4.464 0.001 1 37 6 6 A H5'' H 4.339 0.004 2 38 6 6 A H5' H 4.420 0.000 2 39 6 6 A H8 H 8.487 0.002 1 stop_ save_