data_17706 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; na2 ; _BMRB_accession_number 17706 _BMRB_flat_file_name bmr17706.str _Entry_type original _Submission_date 2011-06-15 _Accession_date 2011-06-15 _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 Daubner Gerrit . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 594 "13C chemical shifts" 246 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-17 update BMRB 'update entry citation' 2011-10-26 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17705 'Protein + RNA' stop_ save_ ############################# # Citation for this entry # ############################# save_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A syn-anti conformational difference allows SRSF2 to recognize guanines and cytosines equally well.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22002536 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Daubner Gerrit M. . 2 Clery Antoine . . 3 Jayne Sandrine . . 4 Stevenin James . . 5 Allain 'Frederic H-T' . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full 'The EMBO journal' _Journal_volume 31 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 162 _Page_last 174 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SRSF2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SRSF2_RRM $SRSF2_RRM 'RNA (5'-R(*UP*CP*CP*AP*GP*U)-3')' $RNA 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_SRSF2_RRM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SRSF2_RRM _Molecular_mass 11705.210 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MASMTGGQQMGRGSMSYGRP PPDVEGMTSLKVDNLTYRTS PDTLRRVFEKYGRVGDVYIP RDRYTKESRGFAFVRFHDKR DAEDAMDAMDGAVLDGRELR VQMARYGRPPDSHHS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . GLY 3 . SER 4 . SER 5 . HIS 6 . HIS 7 . HIS 8 . HIS 9 . HIS 10 . HIS 11 . SER 12 . SER 13 . GLY 14 . LEU 15 . VAL 16 . PRO 17 . ARG 18 . GLY 19 . SER 20 . HIS 21 . MET 22 . ALA 23 . SER 24 . MET 25 . THR 26 . GLY 27 . GLY 28 . GLN 29 . GLN 30 . MET 31 . GLY 32 . ARG 33 . GLY 34 . SER 35 1 MET 36 2 SER 37 3 TYR 38 4 GLY 39 5 ARG 40 6 PRO 41 7 PRO 42 8 PRO 43 9 ASP 44 10 VAL 45 11 GLU 46 12 GLY 47 13 MET 48 14 THR 49 15 SER 50 16 LEU 51 17 LYS 52 18 VAL 53 19 ASP 54 20 ASN 55 21 LEU 56 22 THR 57 23 TYR 58 24 ARG 59 25 THR 60 26 SER 61 27 PRO 62 28 ASP 63 29 THR 64 30 LEU 65 31 ARG 66 32 ARG 67 33 VAL 68 34 PHE 69 35 GLU 70 36 LYS 71 37 TYR 72 38 GLY 73 39 ARG 74 40 VAL 75 41 GLY 76 42 ASP 77 43 VAL 78 44 TYR 79 45 ILE 80 46 PRO 81 47 ARG 82 48 ASP 83 49 ARG 84 50 TYR 85 51 THR 86 52 LYS 87 53 GLU 88 54 SER 89 55 ARG 90 56 GLY 91 57 PHE 92 58 ALA 93 59 PHE 94 60 VAL 95 61 ARG 96 62 PHE 97 63 HIS 98 64 ASP 99 65 LYS 100 66 ARG 101 67 ASP 102 68 ALA 103 69 GLU 104 70 ASP 105 71 ALA 106 72 MET 107 73 ASP 108 74 ALA 109 75 MET 110 76 ASP 111 77 GLY 112 78 ALA 113 79 VAL 114 80 LEU 115 81 ASP 116 82 GLY 117 83 ARG 118 84 GLU 119 85 LEU 120 86 ARG 121 87 VAL 122 88 GLN 123 89 MET 124 90 ALA 125 91 ARG 126 92 TYR 127 93 GLY 128 94 ARG 129 95 PRO 130 96 PRO 131 97 ASP 132 98 SER 133 99 HIS 134 100 HIS 135 101 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 16444 SC35 68.89 158 100.00 100.00 1.79e-59 BMRB 17705 SRSF2_RRM 100.00 135 100.00 100.00 2.41e-91 BMRB 17707 SRSF2_RRM 100.00 135 100.00 100.00 2.41e-91 PDB 2KN4 "The Structure Of The Rrm Domain Of Sc35" 68.89 158 100.00 100.00 1.79e-59 PDB 2LEA "Solution Structure Of Human Srsf2 (Sc35) Rrm" 100.00 135 100.00 100.00 2.41e-91 PDB 2LEB "Solution Structure Of Human Srsf2 (Sc35) Rrm In Complex With 5'- Uccagu-3'" 100.00 135 100.00 100.00 2.41e-91 PDB 2LEC "Solution Structure Of Human Srsf2 (Sc35) Rrm In Complex With 5'- Uggagu-3'" 100.00 135 100.00 100.00 2.41e-91 DBJ BAC03903 "unnamed protein product [Homo sapiens]" 68.89 201 98.92 98.92 4.92e-61 DBJ BAC04206 "unnamed protein product [Homo sapiens]" 58.52 186 100.00 100.00 8.08e-48 DBJ BAC36346 "unnamed protein product [Mus musculus]" 74.81 254 100.00 100.00 2.29e-66 DBJ BAC39610 "unnamed protein product [Mus musculus]" 74.81 221 100.00 100.00 9.92e-68 DBJ BAC40111 "unnamed protein product [Mus musculus]" 74.81 221 100.00 100.00 9.92e-68 EMBL CAA44306 "PR 264 [Gallus gallus]" 74.81 221 100.00 100.00 4.64e-68 EMBL CAA44307 "PR 264 [Homo sapiens]" 74.81 221 100.00 100.00 9.92e-68 EMBL CAA53383 "PR264/SC35 [Homo sapiens]" 74.81 221 100.00 100.00 9.92e-68 EMBL CAA67134 "PR264/SC35 [Mus musculus]" 74.81 121 100.00 100.00 1.00e-64 EMBL CAJ82901 "splicing factor, arginine/serine-rich 2 [Xenopus (Silurana) tropicalis]" 74.07 220 99.00 100.00 6.94e-67 GB AAA60306 "splicing factor [Homo sapiens]" 74.81 221 99.01 99.01 1.30e-66 GB AAC71000 "splicing factor SC35 [Mus musculus]" 74.81 221 100.00 100.00 9.92e-68 GB AAH00339 "SFRS2 protein [Homo sapiens]" 74.81 221 100.00 100.00 9.92e-68 GB AAH01303 "SFRS2 protein [Homo sapiens]" 74.81 221 100.00 100.00 9.92e-68 GB AAH05493 "Sfrs2 protein [Mus musculus]" 74.81 221 100.00 100.00 9.92e-68 PIR A42701 "splicing factor SFRS2 - human" 74.81 221 100.00 100.00 9.92e-68 PRF 1805195A "RNA-binding protein PR264 [Gallus gallus]" 74.81 221 100.00 100.00 4.64e-68 PRF 1805195B "RNA-binding protein PR264" 74.81 221 100.00 100.00 9.92e-68 REF NP_001001305 "serine/arginine-rich splicing factor 2 [Gallus gallus]" 74.81 221 100.00 100.00 4.64e-68 REF NP_001009720 "serine/arginine-rich splicing factor 2 [Rattus norvegicus]" 74.81 221 100.00 100.00 9.92e-68 REF NP_001029290 "serine/arginine-rich splicing factor 2 [Pan troglodytes]" 74.81 221 100.00 100.00 1.37e-67 REF NP_001029490 "serine/arginine-rich splicing factor 2 [Bos taurus]" 74.81 221 100.00 100.00 9.92e-68 REF NP_001070697 "serine/arginine-rich splicing factor 2 [Sus scrofa]" 74.81 221 100.00 100.00 7.90e-68 SP P30352 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Protein PR264; AltName: Full=Splicing component, 35 kDa; Al" 74.81 221 100.00 100.00 4.64e-68 SP Q01130 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Protein PR264; AltName: Full=Splicing component, 35 kDa; Al" 74.81 221 100.00 100.00 9.92e-68 SP Q06A98 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" 74.81 221 100.00 100.00 7.90e-68 SP Q3MHR5 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" 74.81 221 100.00 100.00 9.92e-68 SP Q5R1W5 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" 74.81 221 100.00 100.00 1.37e-67 TPG DAA18198 "TPA: splicing factor, arginine/serine-rich 2 [Bos taurus]" 74.81 221 100.00 100.00 9.92e-68 stop_ save_ save_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA _Molecular_mass 1852.162 _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence UCCAGU loop_ _Residue_seq_code _Residue_label 1 U 2 C 3 C 4 A 5 G 6 U 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 _Gene_mnemonic $SRSF2_RRM Human 9606 Eukaryota Metazoa Homo sapiens 'SFRS2, SRSF2' 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 $SRSF2_RRM 'recombinant technology' . . . BL21(DE3) pet28a $RNA 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SRSF2_RRM_+UCCAGU _Saveframe_category sample _Sample_type solution _Details '50mM L-Arg; 50mM L-Glu; 20mM NaH2PO4; ph 5.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SRSF2_RRM 0.75 mM [U-15N] $SRSF2_RRM 0.75 mM '[U-13C; U-15N]' L-Arg 50 mM 'natural abundance' L-Glu 50 mM 'natural abundance' NaH2PO4 20 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_SRSF2_RRM_+UCCAGU_D2O _Saveframe_category sample _Sample_type solution _Details '50mM L-Arg; 50mM L-Glu; 20mM NaH2PO4; ph 5.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SRSF2_RRM 0.75 mM [U-15N] L-Arg 50 mM 'natural abundance' L-Glu 50 mM 'natural abundance' NaH2PO4 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details cryoprobe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryoprobe save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details cryoprobe save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_3D_HCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $SRSF2_RRM_+UCCAGU save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $SRSF2_RRM_+UCCAGU_D2O save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $SRSF2_RRM_+UCCAGU_D2O save_ ####################### # Sample conditions # ####################### save_SRSF2_RRM_+_UCCAGU _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 310.8 . K pH 5.5 . pH pressure 1 . atm 'ionic strength' 120 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 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_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $SRSF2_RRM_+UCCAGU $SRSF2_RRM_+UCCAGU_D2O stop_ _Sample_conditions_label $SRSF2_RRM_+_UCCAGU _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SRSF2_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 2 36 SER H H 8.112 0.010 1 2 2 36 SER HA H 4.388 0.002 1 3 2 36 SER HB2 H 3.742 0.002 2 4 2 36 SER HB3 H 3.742 0.002 2 5 2 36 SER CA C 55.432 0.000 1 6 2 36 SER CB C 60.935 0.000 1 7 2 36 SER N N 116.424 0.000 1 8 3 37 TYR H H 8.182 0.004 1 9 3 37 TYR HA H 4.637 0.003 1 10 3 37 TYR HB2 H 2.929 0.001 2 11 3 37 TYR HB3 H 3.178 0.006 2 12 3 37 TYR HD1 H 7.109 0.004 3 13 3 37 TYR HD2 H 7.109 0.004 3 14 3 37 TYR HE1 H 6.747 0.003 3 15 3 37 TYR HE2 H 6.747 0.003 3 16 3 37 TYR CB C 35.822 0.034 1 17 3 37 TYR CD2 C 133.131 0.004 3 18 3 37 TYR N N 121.580 0.005 1 19 4 38 GLY H H 8.361 0.002 1 20 4 38 GLY HA2 H 3.948 0.000 2 21 4 38 GLY HA3 H 3.948 0.000 2 22 4 38 GLY CA C 42.434 0.000 1 23 4 38 GLY N N 109.681 0.018 1 24 5 39 ARG H H 7.950 0.015 1 25 5 39 ARG HA H 4.579 0.000 1 26 5 39 ARG HB2 H 1.563 0.000 2 27 5 39 ARG HB3 H 1.563 0.000 2 28 5 39 ARG HG2 H 1.729 0.000 2 29 5 39 ARG HG3 H 1.729 0.000 2 30 5 39 ARG HD2 H 3.122 0.008 2 31 5 39 ARG HD3 H 3.122 0.008 2 32 5 39 ARG CD C 40.498 0.000 1 33 5 39 ARG N N 120.061 0.013 1 34 6 40 PRO HD2 H 3.376 0.006 2 35 6 40 PRO HD3 H 3.376 0.006 2 36 6 40 PRO CD C 47.233 0.025 1 37 8 42 PRO HA H 4.276 0.002 1 38 8 42 PRO HB2 H 1.756 0.000 2 39 8 42 PRO HB3 H 2.198 0.001 2 40 8 42 PRO CA C 60.335 0.000 1 41 8 42 PRO CB C 28.836 0.000 1 42 9 43 ASP H H 8.479 0.009 1 43 9 43 ASP HA H 4.547 0.002 1 44 9 43 ASP HB2 H 2.685 0.002 2 45 9 43 ASP HB3 H 2.685 0.002 2 46 9 43 ASP CB C 36.986 0.030 1 47 9 43 ASP N N 117.712 0.007 1 48 10 44 VAL H H 7.627 0.019 1 49 10 44 VAL HA H 4.024 0.002 1 50 10 44 VAL HB H 2.130 0.005 1 51 10 44 VAL HG1 H 0.769 0.006 . 52 10 44 VAL CA C 60.015 0.000 1 53 10 44 VAL CB C 28.938 0.000 1 54 10 44 VAL CG1 C 17.413 0.000 2 55 10 44 VAL N N 118.590 0.008 1 56 11 45 GLU H H 8.507 0.017 1 57 11 45 GLU HA H 4.043 0.008 1 58 11 45 GLU HB2 H 1.980 0.000 2 59 11 45 GLU HB3 H 1.980 0.000 2 60 11 45 GLU HG2 H 2.250 0.000 2 61 11 45 GLU HG3 H 2.250 0.000 2 62 11 45 GLU CA C 55.341 0.000 1 63 11 45 GLU CB C 26.350 0.000 1 64 11 45 GLU CG C 33.296 0.000 1 65 11 45 GLU N N 122.294 0.017 1 66 12 46 GLY H H 8.063 0.000 1 67 12 46 GLY HA2 H 3.878 0.001 2 68 12 46 GLY HA3 H 4.101 0.004 2 69 12 46 GLY CA C 42.239 0.000 1 70 12 46 GLY N N 107.496 0.001 1 71 13 47 MET H H 7.462 0.000 1 72 13 47 MET HB2 H 2.110 0.001 2 73 13 47 MET HB3 H 2.510 0.002 2 74 13 47 MET HE H 1.762 0.000 . 75 13 47 MET CB C 30.961 0.000 1 76 13 47 MET CE C 15.527 0.034 1 77 13 47 MET N N 118.513 0.018 1 78 14 48 THR H H 9.031 0.011 1 79 14 48 THR HA H 4.524 0.001 1 80 14 48 THR HB H 3.780 0.004 1 81 14 48 THR HG2 H 1.186 0.008 . 82 14 48 THR CB C 67.348 0.000 1 83 14 48 THR CG2 C 19.127 0.000 1 84 14 48 THR N N 119.367 0.020 1 85 15 49 SER H H 9.223 0.013 1 86 15 49 SER HA H 5.230 0.010 1 87 15 49 SER HB2 H 3.599 0.000 2 88 15 49 SER HB3 H 3.998 0.007 2 89 15 49 SER CA C 56.244 0.000 1 90 15 49 SER CB C 61.823 0.018 1 91 15 49 SER N N 123.278 0.000 1 92 16 50 LEU H H 9.396 0.013 1 93 16 50 LEU HA H 5.027 0.002 1 94 16 50 LEU HB2 H 1.175 0.008 2 95 16 50 LEU HB3 H 1.710 0.004 2 96 16 50 LEU HD1 H 0.871 0.001 . 97 16 50 LEU HD2 H 0.942 0.002 . 98 16 50 LEU CB C 40.969 0.026 1 99 16 50 LEU CD1 C 20.677 0.000 2 100 16 50 LEU CD2 C 23.902 0.000 2 101 16 50 LEU N N 123.351 0.012 1 102 17 51 LYS H H 9.263 0.006 1 103 17 51 LYS HA H 4.610 0.010 1 104 17 51 LYS HB2 H 1.163 0.002 2 105 17 51 LYS HB3 H 1.504 0.014 2 106 17 51 LYS HG2 H 0.871 0.000 2 107 17 51 LYS HG3 H 0.963 0.000 2 108 17 51 LYS HD2 H 1.017 0.000 2 109 17 51 LYS HD3 H 1.017 0.000 2 110 17 51 LYS HE2 H 1.845 0.000 2 111 17 51 LYS HE3 H 2.399 0.000 2 112 17 51 LYS CB C 32.081 0.025 1 113 17 51 LYS CE C 38.175 0.002 1 114 17 51 LYS N N 124.202 0.007 1 115 18 52 VAL H H 9.247 0.013 1 116 18 52 VAL HA H 4.755 0.002 1 117 18 52 VAL HB H 1.794 0.002 1 118 18 52 VAL HG1 H 0.691 0.002 . 119 18 52 VAL HG2 H 0.960 0.002 . 120 18 52 VAL CB C 30.590 0.000 1 121 18 52 VAL CG1 C 18.458 0.000 2 122 18 52 VAL CG2 C 19.982 0.002 2 123 18 52 VAL N N 130.111 0.009 1 124 19 53 ASP H H 9.269 0.008 1 125 19 53 ASP HA H 5.220 0.004 1 126 19 53 ASP HB2 H 2.487 0.000 2 127 19 53 ASP HB3 H 2.752 0.003 2 128 19 53 ASP CA C 50.511 0.000 1 129 19 53 ASP CB C 42.315 0.000 1 130 19 53 ASP N N 125.168 0.016 1 131 20 54 ASN H H 8.434 0.004 1 132 20 54 ASN HA H 4.533 0.005 1 133 20 54 ASN HB2 H 2.787 0.001 2 134 20 54 ASN HB3 H 3.548 0.006 2 135 20 54 ASN HD21 H 8.113 0.000 2 136 20 54 ASN HD22 H 6.749 0.001 2 137 20 54 ASN CB C 34.471 0.001 1 138 20 54 ASN N N 112.069 0.033 1 139 20 54 ASN ND2 N 111.705 0.009 1 140 21 55 LEU H H 7.446 0.007 1 141 21 55 LEU HA H 4.361 0.002 1 142 21 55 LEU HB2 H 1.187 0.000 2 143 21 55 LEU HB3 H 1.331 0.001 2 144 21 55 LEU HG H 1.431 0.005 1 145 21 55 LEU HD1 H 0.549 0.002 . 146 21 55 LEU HD2 H 0.732 0.001 . 147 21 55 LEU CB C 40.669 0.020 1 148 21 55 LEU CD1 C 24.250 0.001 2 149 21 55 LEU CD2 C 21.739 0.000 2 150 21 55 LEU N N 115.213 0.007 1 151 22 56 THR H H 8.341 0.004 1 152 22 56 THR HA H 4.358 0.023 1 153 22 56 THR HB H 4.407 0.008 1 154 22 56 THR HG2 H 1.361 0.008 . 155 22 56 THR CA C 57.847 0.000 1 156 22 56 THR CB C 67.874 0.000 1 157 22 56 THR CG2 C 19.870 0.000 1 158 22 56 THR N N 111.646 0.028 1 159 23 57 TYR H H 8.574 0.013 1 160 23 57 TYR HA H 4.332 0.036 1 161 23 57 TYR HB2 H 3.058 0.002 2 162 23 57 TYR HB3 H 3.177 0.000 2 163 23 57 TYR HD1 H 7.070 0.004 3 164 23 57 TYR HD2 H 7.070 0.004 3 165 23 57 TYR HE1 H 6.761 0.007 3 166 23 57 TYR HE2 H 6.761 0.007 3 167 23 57 TYR CA C 56.013 0.000 1 168 23 57 TYR CB C 34.030 0.007 1 169 23 57 TYR CD1 C 132.716 0.000 3 170 23 57 TYR CE1 C 118.348 0.000 3 171 23 57 TYR N N 121.961 0.010 1 172 24 58 ARG H H 7.306 0.011 1 173 24 58 ARG HA H 4.243 0.000 1 174 24 58 ARG HB2 H 1.635 0.002 2 175 24 58 ARG HB3 H 1.750 0.003 2 176 24 58 ARG HG2 H 1.199 0.002 2 177 24 58 ARG HG3 H 1.385 0.008 2 178 24 58 ARG HD2 H 3.056 0.002 2 179 24 58 ARG HD3 H 3.056 0.002 2 180 24 58 ARG HE H 7.939 0.001 1 181 24 58 ARG CA C 52.918 0.000 1 182 24 58 ARG CB C 27.167 0.004 1 183 24 58 ARG CG C 23.066 0.032 1 184 24 58 ARG CD C 40.935 0.000 1 185 24 58 ARG N N 115.017 0.007 1 186 24 58 ARG NE N 85.273 0.000 1 187 25 59 THR H H 7.336 0.003 1 188 25 59 THR HA H 4.028 0.014 1 189 25 59 THR HB H 3.995 0.011 1 190 25 59 THR HG2 H 1.103 0.006 . 191 25 59 THR CA C 62.017 0.034 1 192 25 59 THR CB C 65.531 0.000 1 193 25 59 THR N N 119.202 0.020 1 194 26 60 SER H H 8.341 0.000 1 195 26 60 SER HA H 4.844 0.004 1 196 26 60 SER HB2 H 3.983 0.000 2 197 26 60 SER HB3 H 4.359 0.012 2 198 26 60 SER CA C 52.638 0.034 1 199 26 60 SER CB C 61.560 0.000 1 200 26 60 SER N N 124.278 0.002 1 201 27 61 PRO HA H 4.013 0.021 1 202 27 61 PRO HG2 H 1.926 0.008 2 203 27 61 PRO HG3 H 2.244 0.006 2 204 27 61 PRO HD2 H 3.765 0.000 2 205 27 61 PRO HD3 H 3.993 0.002 2 206 27 61 PRO CA C 62.775 0.000 1 207 27 61 PRO CG C 25.208 0.017 1 208 27 61 PRO CD C 47.752 0.031 1 209 28 62 ASP H H 8.012 0.005 1 210 28 62 ASP HA H 4.374 0.016 1 211 28 62 ASP HB2 H 2.618 0.003 2 212 28 62 ASP HB3 H 2.618 0.003 2 213 28 62 ASP CA C 54.447 0.000 1 214 28 62 ASP CB C 38.036 0.018 1 215 28 62 ASP N N 115.653 0.008 1 216 29 63 THR H H 7.772 0.008 1 217 29 63 THR HA H 3.902 0.003 1 218 29 63 THR HB H 4.327 0.002 1 219 29 63 THR HG2 H 1.254 0.000 . 220 29 63 THR CA C 62.742 0.000 1 221 29 63 THR CB C 65.388 0.000 1 222 29 63 THR CG2 C 19.323 0.000 1 223 29 63 THR N N 118.138 0.003 1 224 30 64 LEU H H 7.434 0.013 1 225 30 64 LEU HA H 4.048 0.002 1 226 30 64 LEU HB2 H 1.292 0.020 2 227 30 64 LEU HB3 H 1.812 0.003 2 228 30 64 LEU HG H 1.563 0.005 1 229 30 64 LEU HD1 H 0.609 0.001 . 230 30 64 LEU HD2 H 0.675 0.002 . 231 30 64 LEU CA C 54.961 0.000 1 232 30 64 LEU CB C 39.534 0.028 1 233 30 64 LEU CG C 23.867 0.000 1 234 30 64 LEU CD1 C 22.925 0.029 2 235 30 64 LEU CD2 C 21.038 0.044 2 236 30 64 LEU N N 118.852 0.022 1 237 31 65 ARG H H 8.563 0.006 1 238 31 65 ARG HA H 3.628 0.001 1 239 31 65 ARG HB2 H 1.956 0.010 2 240 31 65 ARG HB3 H 1.956 0.010 2 241 31 65 ARG HG2 H 1.404 0.014 2 242 31 65 ARG HG3 H 1.500 0.004 2 243 31 65 ARG HD2 H 3.152 0.001 2 244 31 65 ARG HD3 H 3.284 0.002 2 245 31 65 ARG HE H 7.518 0.000 1 246 31 65 ARG CA C 57.985 0.000 1 247 31 65 ARG CD C 40.328 0.014 1 248 31 65 ARG N N 119.106 0.004 1 249 31 65 ARG NE N 84.274 0.001 1 250 32 66 ARG H H 7.780 0.002 1 251 32 66 ARG HA H 4.056 0.002 1 252 32 66 ARG HB2 H 1.955 0.011 2 253 32 66 ARG HB3 H 1.955 0.011 2 254 32 66 ARG HG2 H 1.679 0.001 2 255 32 66 ARG HG3 H 1.796 0.002 2 256 32 66 ARG HD2 H 3.194 0.005 2 257 32 66 ARG HD3 H 3.194 0.005 2 258 32 66 ARG CA C 56.295 0.025 1 259 32 66 ARG CB C 27.358 0.000 1 260 32 66 ARG CG C 24.947 0.001 1 261 32 66 ARG CD C 40.533 0.000 1 262 32 66 ARG N N 115.807 0.004 1 263 33 67 VAL H H 7.778 0.004 1 264 33 67 VAL HA H 3.909 0.003 1 265 33 67 VAL HB H 2.180 0.001 1 266 33 67 VAL HG1 H 0.809 0.002 . 267 33 67 VAL HG2 H 1.084 0.001 . 268 33 67 VAL CA C 62.241 0.000 1 269 33 67 VAL CB C 29.263 0.029 1 270 33 67 VAL CG1 C 18.659 0.000 2 271 33 67 VAL CG2 C 19.112 0.000 2 272 33 67 VAL N N 115.238 0.002 1 273 34 68 PHE H H 8.256 0.001 1 274 34 68 PHE HA H 4.502 0.007 1 275 34 68 PHE HB2 H 3.042 0.005 2 276 34 68 PHE HB3 H 3.160 0.006 2 277 34 68 PHE HD1 H 7.729 0.009 3 278 34 68 PHE HD2 H 7.729 0.009 3 279 34 68 PHE HE1 H 6.971 0.001 3 280 34 68 PHE HE2 H 6.971 0.001 3 281 34 68 PHE HZ H 6.953 0.009 1 282 34 68 PHE CB C 36.139 0.033 1 283 34 68 PHE CD2 C 132.036 0.014 3 284 34 68 PHE CE2 C 130.433 0.000 3 285 34 68 PHE CZ C 128.664 0.000 1 286 34 68 PHE N N 116.326 0.010 1 287 35 69 GLU H H 8.619 0.005 1 288 35 69 GLU HA H 5.062 0.003 1 289 35 69 GLU HB2 H 2.093 0.000 2 290 35 69 GLU HB3 H 2.276 0.001 2 291 35 69 GLU HG2 H 2.418 0.002 2 292 35 69 GLU HG3 H 2.553 0.002 2 293 35 69 GLU CA C 54.671 0.000 1 294 35 69 GLU CB C 25.902 0.021 1 295 35 69 GLU CG C 34.009 0.001 1 296 35 69 GLU N N 119.225 0.003 1 297 36 70 LYS H H 6.870 0.003 1 298 36 70 LYS HA H 3.886 0.001 1 299 36 70 LYS HB2 H 1.120 0.000 2 300 36 70 LYS HB3 H 1.409 0.000 2 301 36 70 LYS HG2 H 0.927 0.002 2 302 36 70 LYS HG3 H 1.071 0.000 2 303 36 70 LYS HD3 H 1.519 0.001 2 304 36 70 LYS HE2 H 2.861 0.001 2 305 36 70 LYS HE3 H 2.861 0.001 2 306 36 70 LYS CA C 55.130 0.033 1 307 36 70 LYS CB C 28.962 0.005 1 308 36 70 LYS CG C 21.350 0.044 1 309 36 70 LYS CD C 25.741 0.023 1 310 36 70 LYS CE C 39.065 0.000 1 311 36 70 LYS N N 118.414 0.004 1 312 37 71 TYR H H 7.619 0.009 1 313 37 71 TYR HA H 4.310 0.002 1 314 37 71 TYR HB2 H 2.795 0.020 2 315 37 71 TYR HB3 H 3.338 0.005 2 316 37 71 TYR HD1 H 7.211 0.002 3 317 37 71 TYR HD2 H 7.211 0.002 3 318 37 71 TYR HE1 H 6.613 0.006 3 319 37 71 TYR HE2 H 6.613 0.006 3 320 37 71 TYR CA C 55.763 0.000 1 321 37 71 TYR CB C 36.453 0.005 1 322 37 71 TYR CD1 C 132.589 0.000 3 323 37 71 TYR CE1 C 118.339 0.000 3 324 37 71 TYR N N 115.035 0.005 1 325 38 72 GLY H H 7.363 0.003 1 326 38 72 GLY HA2 H 3.835 0.002 2 327 38 72 GLY HA3 H 4.624 0.000 2 328 38 72 GLY CA C 41.382 0.000 1 329 38 72 GLY N N 104.721 0.003 1 330 39 73 ARG H H 7.996 0.008 1 331 39 73 ARG HA H 4.378 0.005 1 332 39 73 ARG HB2 H 1.920 0.005 2 333 39 73 ARG HB3 H 1.920 0.005 2 334 39 73 ARG HG2 H 1.635 0.002 2 335 39 73 ARG HG3 H 1.766 0.002 2 336 39 73 ARG HD2 H 3.161 0.001 2 337 39 73 ARG HD3 H 3.161 0.001 2 338 39 73 ARG CA C 54.444 0.020 1 339 39 73 ARG CG C 24.131 0.062 1 340 39 73 ARG CD C 40.552 0.000 1 341 39 73 ARG N N 115.782 0.004 1 342 40 74 VAL H H 8.862 0.005 1 343 40 74 VAL HA H 3.646 0.004 1 344 40 74 VAL HB H 1.878 0.001 1 345 40 74 VAL HG1 H 0.468 0.003 . 346 40 74 VAL HG2 H 0.543 0.004 . 347 40 74 VAL CA C 59.296 0.039 1 348 40 74 VAL CB C 30.160 0.000 1 349 40 74 VAL CG1 C 19.159 0.000 2 350 40 74 VAL CG2 C 19.533 0.000 2 351 40 74 VAL N N 130.211 0.045 1 352 41 75 GLY H H 9.073 0.001 1 353 41 75 GLY HA2 H 3.339 0.002 2 354 41 75 GLY HA3 H 4.329 0.004 2 355 41 75 GLY CA C 42.700 0.011 1 356 41 75 GLY N N 115.326 0.005 1 357 42 76 ASP H H 7.353 0.002 1 358 42 76 ASP HA H 4.693 0.000 1 359 42 76 ASP HB2 H 2.848 0.006 2 360 42 76 ASP HB3 H 2.848 0.006 2 361 42 76 ASP CB C 41.207 0.000 1 362 42 76 ASP N N 115.706 0.017 1 363 43 77 VAL H H 7.451 0.009 1 364 43 77 VAL HA H 4.691 0.002 1 365 43 77 VAL HB H 1.841 0.003 1 366 43 77 VAL HG1 H 0.787 0.005 . 367 43 77 VAL HG2 H 0.837 0.004 . 368 43 77 VAL CB C 31.847 0.022 1 369 43 77 VAL CG1 C 18.874 0.000 2 370 43 77 VAL CG2 C 19.269 0.000 2 371 43 77 VAL N N 122.699 0.013 1 372 44 78 TYR H H 9.156 0.003 1 373 44 78 TYR HA H 5.095 0.010 1 374 44 78 TYR HB2 H 2.729 0.003 2 375 44 78 TYR HB3 H 2.922 0.014 2 376 44 78 TYR HD1 H 6.835 0.007 3 377 44 78 TYR HD2 H 6.835 0.007 3 378 44 78 TYR HE1 H 6.553 0.007 3 379 44 78 TYR HE2 H 6.553 0.007 3 380 44 78 TYR CA C 52.512 0.029 1 381 44 78 TYR CD2 C 131.399 0.000 3 382 44 78 TYR CE2 C 117.931 0.000 3 383 44 78 TYR N N 126.254 0.029 1 384 45 79 ILE H H 8.201 0.012 1 385 45 79 ILE HA H 4.280 0.001 1 386 45 79 ILE HB H 1.602 0.000 1 387 45 79 ILE HG12 H 1.212 0.001 . 388 45 79 ILE HG13 H 1.212 0.001 . 389 45 79 ILE HG2 H 0.625 0.001 . 390 45 79 ILE HD1 H 0.521 0.007 . 391 45 79 ILE CB C 35.778 0.043 1 392 45 79 ILE CG2 C 13.796 0.020 1 393 45 79 ILE CD1 C 10.519 0.000 1 394 45 79 ILE N N 129.723 0.044 1 395 46 80 PRO HA H 3.705 0.007 1 396 46 80 PRO HB2 H 2.264 0.005 2 397 46 80 PRO HB3 H 2.264 0.005 2 398 46 80 PRO HG2 H 1.542 0.000 2 399 46 80 PRO HG3 H 1.542 0.000 2 400 46 80 PRO HD2 H 3.094 0.000 2 401 46 80 PRO HD3 H 3.094 0.000 2 402 46 80 PRO CA C 59.668 0.000 1 403 46 80 PRO CD C 47.216 0.028 1 404 47 81 ARG H H 8.340 0.013 1 405 47 81 ARG HA H 4.642 0.000 1 406 47 81 ARG HB2 H 1.376 0.006 2 407 47 81 ARG HB3 H 1.376 0.006 2 408 47 81 ARG HG2 H 1.212 0.014 2 409 47 81 ARG HG3 H 1.560 0.009 2 410 47 81 ARG HD2 H 3.037 0.020 2 411 47 81 ARG HD3 H 3.037 0.020 2 412 47 81 ARG HE H 7.120 0.002 1 413 47 81 ARG CB C 29.579 0.000 1 414 47 81 ARG CG C 24.331 0.007 1 415 47 81 ARG CD C 40.098 0.000 1 416 47 81 ARG N N 119.862 0.007 1 417 47 81 ARG NE N 85.713 0.000 1 418 48 82 ASP H H 8.681 0.021 1 419 48 82 ASP HA H 4.380 0.005 1 420 48 82 ASP HB2 H 2.476 0.005 2 421 48 82 ASP HB3 H 2.998 0.003 2 422 48 82 ASP CA C 52.101 0.000 1 423 48 82 ASP CB C 40.610 0.000 1 424 48 82 ASP N N 123.986 0.010 1 425 49 83 ARG H H 8.738 0.005 1 426 49 83 ARG HA H 3.812 0.006 1 427 49 83 ARG HB2 H 1.252 0.004 2 428 49 83 ARG HB3 H 1.382 0.007 2 429 49 83 ARG HG2 H 1.075 0.007 2 430 49 83 ARG HG3 H 1.075 0.007 2 431 49 83 ARG HD2 H 2.598 0.012 2 432 49 83 ARG HD3 H 2.598 0.012 2 433 49 83 ARG CA C 55.307 0.000 1 434 49 83 ARG CB C 27.169 0.000 1 435 49 83 ARG CG C 23.491 0.007 1 436 49 83 ARG N N 126.275 0.033 1 437 50 84 TYR H H 8.523 0.002 1 438 50 84 TYR HA H 4.596 0.000 1 439 50 84 TYR HB2 H 3.049 0.005 2 440 50 84 TYR HB3 H 3.113 0.004 2 441 50 84 TYR HD1 H 7.185 0.004 3 442 50 84 TYR HD2 H 7.185 0.004 3 443 50 84 TYR HE1 H 6.784 0.006 3 444 50 84 TYR HE2 H 6.784 0.006 3 445 50 84 TYR CB C 35.574 0.018 1 446 50 84 TYR CD2 C 133.094 0.000 3 447 50 84 TYR CE2 C 118.113 0.000 3 448 50 84 TYR N N 117.791 0.013 1 449 51 85 THR H H 9.066 0.005 1 450 51 85 THR HA H 4.235 0.007 1 451 51 85 THR HB H 4.369 0.003 1 452 51 85 THR HG2 H 1.238 0.002 . 453 51 85 THR CA C 59.228 0.000 1 454 51 85 THR CB C 67.318 0.000 1 455 51 85 THR CG2 C 18.540 0.000 1 456 51 85 THR N N 110.505 0.005 1 457 52 86 LYS H H 7.860 0.006 1 458 52 86 LYS HA H 3.931 0.002 1 459 52 86 LYS HB2 H 1.984 0.000 2 460 52 86 LYS HB3 H 2.167 0.003 2 461 52 86 LYS HG2 H 1.216 0.001 2 462 52 86 LYS HG3 H 1.324 0.001 2 463 52 86 LYS HD2 H 1.566 0.016 2 464 52 86 LYS HD3 H 1.566 0.016 2 465 52 86 LYS HE2 H 2.979 0.035 2 466 52 86 LYS HE3 H 2.979 0.035 2 467 52 86 LYS CA C 54.646 0.034 1 468 52 86 LYS CG C 22.243 0.044 1 469 52 86 LYS CD C 25.836 0.000 1 470 52 86 LYS CE C 39.642 0.000 1 471 52 86 LYS N N 113.729 0.007 1 472 53 87 GLU H H 7.721 0.005 1 473 53 87 GLU HA H 4.340 0.010 1 474 53 87 GLU HB2 H 1.740 0.003 2 475 53 87 GLU HB3 H 1.991 0.001 2 476 53 87 GLU HG2 H 2.184 0.003 2 477 53 87 GLU HG3 H 2.250 0.000 2 478 53 87 GLU CA C 53.567 0.000 1 479 53 87 GLU CG C 33.253 0.033 1 480 53 87 GLU N N 119.127 0.004 1 481 54 88 SER H H 8.654 0.004 1 482 54 88 SER HA H 4.333 0.000 1 483 54 88 SER HB2 H 3.705 0.004 2 484 54 88 SER HB3 H 3.950 0.003 2 485 54 88 SER CB C 61.019 0.022 1 486 54 88 SER N N 116.299 0.002 1 487 55 89 ARG H H 8.012 0.005 1 488 55 89 ARG HA H 4.133 0.006 1 489 55 89 ARG HB2 H 1.264 0.011 2 490 55 89 ARG HB3 H 1.264 0.011 2 491 55 89 ARG HG2 H 2.167 0.004 2 492 55 89 ARG HG3 H 2.167 0.004 2 493 55 89 ARG HD2 H 3.051 0.001 2 494 55 89 ARG HD3 H 3.051 0.001 2 495 55 89 ARG HE H 7.429 0.002 1 496 55 89 ARG CA C 55.375 0.000 1 497 55 89 ARG CB C 28.161 0.000 1 498 55 89 ARG CD C 40.518 0.000 1 499 55 89 ARG N N 121.221 0.014 1 500 55 89 ARG NE N 84.584 0.000 1 501 56 90 GLY H H 8.405 0.008 1 502 56 90 GLY HA2 H 3.492 0.005 2 503 56 90 GLY HA3 H 4.310 0.012 2 504 56 90 GLY CA C 42.905 0.008 1 505 56 90 GLY N N 106.752 0.001 1 506 57 91 PHE H H 6.914 0.003 1 507 57 91 PHE HA H 5.596 0.006 1 508 57 91 PHE HB2 H 2.819 0.009 2 509 57 91 PHE HB3 H 3.057 0.006 2 510 57 91 PHE HD1 H 6.550 0.005 3 511 57 91 PHE HD2 H 6.550 0.005 3 512 57 91 PHE HE1 H 7.126 0.004 3 513 57 91 PHE HE2 H 7.126 0.004 3 514 57 91 PHE HZ H 7.076 0.022 1 515 57 91 PHE CA C 51.481 0.000 1 516 57 91 PHE CB C 39.229 0.000 1 517 57 91 PHE CD2 C 132.374 0.011 3 518 57 91 PHE CE2 C 130.838 0.000 3 519 57 91 PHE CZ C 128.251 0.000 1 520 57 91 PHE N N 112.983 0.013 1 521 58 92 ALA H H 8.821 0.002 1 522 58 92 ALA HA H 4.767 0.007 1 523 58 92 ALA HB H 0.888 0.001 . 524 58 92 ALA CA C 46.720 0.000 1 525 58 92 ALA CB C 23.251 0.000 1 526 58 92 ALA N N 118.236 0.012 1 527 59 93 PHE H H 8.991 0.001 1 528 59 93 PHE HA H 5.701 0.005 1 529 59 93 PHE HB2 H 2.749 0.003 2 530 59 93 PHE HB3 H 2.749 0.003 2 531 59 93 PHE HD1 H 6.914 0.007 3 532 59 93 PHE HD2 H 6.914 0.007 3 533 59 93 PHE HE1 H 7.106 0.000 3 534 59 93 PHE HE2 H 7.106 0.000 3 535 59 93 PHE CA C 53.534 0.000 1 536 59 93 PHE CD1 C 131.020 0.039 3 537 59 93 PHE N N 115.842 0.012 1 538 60 94 VAL H H 8.625 0.011 1 539 60 94 VAL HA H 4.254 0.008 1 540 60 94 VAL HB H 1.282 0.006 1 541 60 94 VAL HG1 H 0.213 0.003 . 542 60 94 VAL HG2 H 0.279 0.007 . 543 60 94 VAL CA C 58.598 0.000 1 544 60 94 VAL CB C 30.714 0.002 1 545 60 94 VAL CG1 C 17.804 0.000 2 546 60 94 VAL CG2 C 18.711 0.000 2 547 60 94 VAL N N 122.916 0.018 1 548 61 95 ARG H H 8.780 0.002 1 549 61 95 ARG HA H 5.411 0.013 1 550 61 95 ARG HB2 H 1.652 0.011 2 551 61 95 ARG HB3 H 1.652 0.011 2 552 61 95 ARG HG2 H 1.252 0.009 2 553 61 95 ARG HG3 H 1.252 0.009 2 554 61 95 ARG HD2 H 2.782 0.000 2 555 61 95 ARG HD3 H 2.782 0.000 2 556 61 95 ARG CA C 50.673 0.034 1 557 61 95 ARG CB C 29.124 0.000 1 558 61 95 ARG N N 124.385 0.016 1 559 62 96 PHE H H 9.251 0.007 1 560 62 96 PHE HA H 4.851 0.003 1 561 62 96 PHE HB2 H 2.674 0.007 2 562 62 96 PHE HB3 H 3.660 0.005 2 563 62 96 PHE HD1 H 7.195 0.003 3 564 62 96 PHE HD2 H 7.195 0.003 3 565 62 96 PHE HE1 H 7.046 0.004 3 566 62 96 PHE HE2 H 7.046 0.004 3 567 62 96 PHE HZ H 7.407 0.003 1 568 62 96 PHE CA C 54.520 0.000 1 569 62 96 PHE CB C 39.441 0.000 1 570 62 96 PHE CD1 C 131.742 0.036 3 571 62 96 PHE CE1 C 131.013 0.000 3 572 62 96 PHE CZ C 129.563 0.000 1 573 62 96 PHE N N 122.679 0.023 1 574 63 97 HIS H H 8.022 0.012 1 575 63 97 HIS HA H 4.359 0.011 1 576 63 97 HIS HB2 H 3.151 0.002 2 577 63 97 HIS HB3 H 3.303 0.004 2 578 63 97 HIS HD2 H 6.824 0.009 1 579 63 97 HIS HE1 H 8.087 0.000 1 580 63 97 HIS CA C 56.936 0.000 1 581 63 97 HIS CB C 27.011 0.012 1 582 63 97 HIS CD2 C 120.221 0.007 1 583 63 97 HIS CE1 C 138.448 0.000 1 584 63 97 HIS N N 119.799 0.011 1 585 64 98 ASP H H 9.140 0.005 1 586 64 98 ASP HA H 5.055 0.001 1 587 64 98 ASP HB2 H 2.586 0.000 2 588 64 98 ASP HB3 H 2.879 0.001 2 589 64 98 ASP CA C 50.044 0.000 1 590 64 98 ASP CB C 40.993 0.002 1 591 64 98 ASP N N 119.751 0.004 1 592 65 99 LYS H H 8.779 0.002 1 593 65 99 LYS HA H 3.840 0.003 1 594 65 99 LYS HB2 H 1.788 0.002 2 595 65 99 LYS HB3 H 1.942 0.005 2 596 65 99 LYS HG2 H 1.354 0.000 2 597 65 99 LYS HG3 H 1.418 0.004 2 598 65 99 LYS HD2 H 1.681 0.003 2 599 65 99 LYS HD3 H 1.681 0.003 2 600 65 99 LYS HE2 H 2.954 0.010 2 601 65 99 LYS HE3 H 2.954 0.010 2 602 65 99 LYS CA C 56.957 0.010 1 603 65 99 LYS CB C 30.072 0.020 1 604 65 99 LYS CG C 21.721 0.029 1 605 65 99 LYS CE C 39.139 0.000 1 606 65 99 LYS N N 127.656 0.012 1 607 66 100 ARG H H 8.598 0.003 1 608 66 100 ARG HA H 4.068 0.002 1 609 66 100 ARG HB2 H 1.825 0.005 2 610 66 100 ARG HB3 H 1.825 0.005 2 611 66 100 ARG HG2 H 1.704 0.001 2 612 66 100 ARG HG3 H 1.704 0.001 2 613 66 100 ARG HD2 H 3.206 0.001 2 614 66 100 ARG HD3 H 3.206 0.001 2 615 66 100 ARG HE H 7.476 0.000 1 616 66 100 ARG CB C 26.514 0.023 1 617 66 100 ARG CG C 24.010 0.000 1 618 66 100 ARG N N 118.552 0.002 1 619 66 100 ARG NE N 85.583 0.000 1 620 67 101 ASP H H 7.079 0.001 1 621 67 101 ASP HA H 4.203 0.001 1 622 67 101 ASP HB2 H 2.642 0.026 2 623 67 101 ASP HB3 H 2.942 0.025 2 624 67 101 ASP CA C 53.955 0.007 1 625 67 101 ASP N N 119.596 0.004 1 626 68 102 ALA H H 6.810 0.004 1 627 68 102 ALA HA H 2.896 0.003 1 628 68 102 ALA HB H 1.268 0.001 . 629 68 102 ALA CA C 51.522 0.000 1 630 68 102 ALA CB C 15.355 0.000 1 631 68 102 ALA N N 119.561 0.003 1 632 69 103 GLU H H 8.008 0.004 1 633 69 103 GLU HA H 3.648 0.002 1 634 69 103 GLU HB2 H 1.927 0.003 2 635 69 103 GLU HB3 H 1.927 0.003 2 636 69 103 GLU HG2 H 2.106 0.008 2 637 69 103 GLU HG3 H 2.425 0.000 2 638 69 103 GLU CA C 56.927 0.000 1 639 69 103 GLU CB C 26.724 0.000 1 640 69 103 GLU CG C 33.879 0.000 1 641 69 103 GLU N N 117.453 0.003 1 642 70 104 ASP H H 8.008 0.010 1 643 70 104 ASP HA H 4.268 0.001 1 644 70 104 ASP HB2 H 2.712 0.000 2 645 70 104 ASP HB3 H 2.975 0.001 2 646 70 104 ASP CA C 54.239 0.000 1 647 70 104 ASP CB C 37.290 0.019 1 648 70 104 ASP N N 120.370 0.002 1 649 71 105 ALA H H 8.123 0.006 1 650 71 105 ALA HA H 2.827 0.004 1 651 71 105 ALA HB H 1.284 0.001 . 652 71 105 ALA CA C 51.472 0.000 1 653 71 105 ALA CB C 16.928 0.000 1 654 71 105 ALA N N 122.195 0.003 1 655 72 106 MET H H 8.303 0.003 1 656 72 106 MET HA H 3.644 0.001 1 657 72 106 MET HB2 H 1.917 0.007 2 658 72 106 MET HB3 H 1.917 0.007 2 659 72 106 MET HG2 H 2.240 0.000 2 660 72 106 MET HG3 H 2.365 0.003 2 661 72 106 MET HE H 2.117 0.002 . 662 72 106 MET CA C 57.019 0.000 1 663 72 106 MET CB C 30.002 0.000 1 664 72 106 MET CG C 28.190 0.000 1 665 72 106 MET CE C 14.449 0.000 1 666 72 106 MET N N 118.587 0.005 1 667 73 107 ASP H H 7.696 0.013 1 668 73 107 ASP HA H 4.319 0.002 1 669 73 107 ASP HB2 H 2.630 0.002 2 670 73 107 ASP HB3 H 2.724 0.004 2 671 73 107 ASP CB C 37.919 0.000 1 672 73 107 ASP N N 116.865 0.002 1 673 74 108 ALA H H 7.298 0.003 1 674 74 108 ALA HA H 4.112 0.002 1 675 74 108 ALA HB H 1.044 0.004 . 676 74 108 ALA CA C 51.058 0.000 1 677 74 108 ALA CB C 17.366 0.000 1 678 74 108 ALA N N 118.013 0.000 1 679 75 109 MET H H 8.041 0.006 1 680 75 109 MET HA H 4.729 0.001 1 681 75 109 MET HB2 H 1.916 0.010 2 682 75 109 MET HB3 H 1.916 0.010 2 683 75 109 MET HG2 H 1.632 0.000 2 684 75 109 MET HG3 H 1.751 0.000 2 685 75 109 MET HE H 1.484 0.006 . 686 75 109 MET CA C 50.438 0.000 1 687 75 109 MET CE C 12.316 0.000 1 688 75 109 MET N N 112.292 0.003 1 689 76 110 ASP H H 7.800 0.008 1 690 76 110 ASP HA H 4.390 0.005 1 691 76 110 ASP HB2 H 2.758 0.000 2 692 76 110 ASP HB3 H 2.989 0.000 2 693 76 110 ASP CA C 54.835 0.000 1 694 76 110 ASP CB C 38.427 0.000 1 695 76 110 ASP N N 119.960 0.001 1 696 77 111 GLY H H 8.604 0.008 1 697 77 111 GLY HA2 H 3.678 0.001 2 698 77 111 GLY HA3 H 4.233 0.001 2 699 77 111 GLY CA C 42.772 0.005 1 700 77 111 GLY N N 117.720 0.002 1 701 78 112 ALA H H 7.912 0.003 1 702 78 112 ALA HA H 4.303 0.004 1 703 78 112 ALA HB H 1.434 0.010 . 704 78 112 ALA CA C 49.091 0.000 1 705 78 112 ALA CB C 17.192 0.004 1 706 78 112 ALA N N 123.735 0.000 1 707 79 113 VAL H H 8.068 0.014 1 708 79 113 VAL HA H 4.627 0.005 1 709 79 113 VAL HB H 1.786 0.004 1 710 79 113 VAL HG1 H 0.657 0.001 . 711 79 113 VAL HG2 H 0.831 0.002 . 712 79 113 VAL CB C 29.698 0.000 1 713 79 113 VAL CG1 C 18.170 0.000 2 714 79 113 VAL CG2 C 18.916 0.000 2 715 79 113 VAL N N 118.725 0.007 1 716 80 114 LEU H H 8.889 0.005 1 717 80 114 LEU HA H 4.550 0.013 1 718 80 114 LEU HB2 H 1.188 0.005 2 719 80 114 LEU HB3 H 1.791 0.002 2 720 80 114 LEU HG H 1.434 0.003 1 721 80 114 LEU HD1 H 0.824 0.003 . 722 80 114 LEU HD2 H 0.901 0.000 . 723 80 114 LEU CB C 42.418 0.033 1 724 80 114 LEU CD1 C 23.521 0.000 2 725 80 114 LEU CD2 C 21.293 0.000 2 726 80 114 LEU N N 129.443 0.003 1 727 81 115 ASP H H 9.425 0.007 1 728 81 115 ASP HA H 4.227 0.001 1 729 81 115 ASP HB2 H 2.234 0.003 2 730 81 115 ASP HB3 H 3.071 0.003 2 731 81 115 ASP CA C 52.030 0.000 1 732 81 115 ASP CB C 37.032 0.011 1 733 81 115 ASP N N 129.558 0.004 1 734 82 116 GLY H H 8.005 0.006 1 735 82 116 GLY HA2 H 3.465 0.001 2 736 82 116 GLY HA3 H 4.016 0.001 2 737 82 116 GLY CA C 42.597 0.026 1 738 82 116 GLY N N 100.653 0.000 1 739 83 117 ARG H H 7.494 0.006 1 740 83 117 ARG HA H 4.543 0.003 1 741 83 117 ARG HB2 H 1.801 0.004 2 742 83 117 ARG HB3 H 1.801 0.004 2 743 83 117 ARG HG2 H 1.434 0.004 2 744 83 117 ARG HG3 H 1.671 0.001 2 745 83 117 ARG HD2 H 3.014 0.003 2 746 83 117 ARG HD3 H 3.014 0.003 2 747 83 117 ARG HE H 6.909 0.004 1 748 83 117 ARG CA C 51.375 0.000 1 749 83 117 ARG CB C 30.333 0.000 1 750 83 117 ARG CG C 24.127 0.003 1 751 83 117 ARG CD C 40.084 0.000 1 752 83 117 ARG N N 120.115 0.005 1 753 83 117 ARG NE N 84.634 0.000 1 754 84 118 GLU H H 8.349 0.009 1 755 84 118 GLU HA H 4.301 0.003 1 756 84 118 GLU HB2 H 1.782 0.005 2 757 84 118 GLU HB3 H 1.858 0.004 2 758 84 118 GLU HG2 H 2.051 0.002 2 759 84 118 GLU HG3 H 2.134 0.003 2 760 84 118 GLU CA C 53.137 0.000 1 761 84 118 GLU CB C 26.935 0.036 1 762 84 118 GLU CG C 33.365 0.017 1 763 84 118 GLU N N 121.248 0.001 1 764 85 119 LEU H H 9.361 0.002 1 765 85 119 LEU HA H 4.557 0.013 1 766 85 119 LEU HB2 H 1.238 0.002 2 767 85 119 LEU HB3 H 2.114 0.004 2 768 85 119 LEU HG H 1.894 0.006 1 769 85 119 LEU HD1 H 0.745 0.001 . 770 85 119 LEU HD2 H 0.760 0.000 . 771 85 119 LEU CB C 40.575 0.036 1 772 85 119 LEU CD1 C 19.627 0.037 2 773 85 119 LEU CD2 C 22.448 0.000 2 774 85 119 LEU N N 128.085 0.003 1 775 86 120 ARG H H 7.484 0.012 1 776 86 120 ARG HA H 5.165 0.002 1 777 86 120 ARG HB2 H 1.706 0.002 2 778 86 120 ARG HB3 H 1.878 0.000 2 779 86 120 ARG HG2 H 1.583 0.001 2 780 86 120 ARG HG3 H 1.653 0.000 2 781 86 120 ARG HD2 H 3.245 0.000 2 782 86 120 ARG HD3 H 3.245 0.000 2 783 86 120 ARG HE H 7.635 0.000 1 784 86 120 ARG CA C 51.312 0.000 1 785 86 120 ARG CB C 29.376 0.000 1 786 86 120 ARG CG C 24.010 0.035 1 787 86 120 ARG CD C 40.221 0.000 1 788 86 120 ARG N N 121.116 0.012 1 789 86 120 ARG NE N 85.175 0.003 1 790 87 121 VAL H H 9.376 0.008 1 791 87 121 VAL HA H 5.013 0.005 1 792 87 121 VAL HB H 1.911 0.010 1 793 87 121 VAL HG1 H 0.978 0.000 . 794 87 121 VAL HG2 H 1.018 0.000 . 795 87 121 VAL CA C 58.310 0.000 1 796 87 121 VAL CB C 31.333 0.000 1 797 87 121 VAL CG1 C 21.988 0.000 2 798 87 121 VAL CG2 C 19.429 0.000 2 799 87 121 VAL N N 126.175 0.006 1 800 88 122 GLN H H 8.496 0.007 1 801 88 122 GLN HA H 4.979 0.028 1 802 88 122 GLN HB2 H 2.006 0.000 2 803 88 122 GLN HB3 H 2.101 0.001 2 804 88 122 GLN HG2 H 2.327 0.002 2 805 88 122 GLN HG3 H 2.327 0.002 2 806 88 122 GLN HE21 H 7.531 0.010 2 807 88 122 GLN HE22 H 6.830 0.009 2 808 88 122 GLN CA C 50.631 0.000 1 809 88 122 GLN CB C 30.515 0.000 1 810 88 122 GLN CG C 30.652 0.005 1 811 88 122 GLN N N 122.141 0.006 1 812 88 122 GLN NE2 N 112.378 0.003 1 813 89 123 MET H H 8.738 0.009 1 814 89 123 MET HA H 4.597 0.000 1 815 89 123 MET HB2 H 2.005 0.000 2 816 89 123 MET HB3 H 2.005 0.000 2 817 89 123 MET HG2 H 2.599 0.003 2 818 89 123 MET HG3 H 2.750 0.001 2 819 89 123 MET HE H 1.929 0.000 . 820 89 123 MET CB C 28.654 0.000 1 821 89 123 MET CG C 29.340 0.016 1 822 89 123 MET CE C 14.020 0.000 1 823 89 123 MET N N 121.805 0.014 1 824 90 124 ALA H H 8.643 0.001 1 825 90 124 ALA HA H 4.595 0.000 1 826 90 124 ALA HB H 1.472 0.006 . 827 90 124 ALA CB C 16.432 0.000 1 828 90 124 ALA N N 127.625 0.003 1 829 91 125 ARG H H 10.211 0.040 1 830 91 125 ARG HA H 4.200 0.004 1 831 91 125 ARG HB2 H 1.474 0.007 2 832 91 125 ARG HB3 H 1.474 0.007 2 833 91 125 ARG HG2 H 1.366 0.000 2 834 91 125 ARG HG3 H 1.366 0.000 2 835 91 125 ARG CA C 54.040 0.000 1 836 91 125 ARG CB C 28.411 0.000 1 837 91 125 ARG CG C 23.415 0.000 1 838 92 126 TYR H H 8.170 0.004 1 839 92 126 TYR HB2 H 2.887 0.005 2 840 92 126 TYR HB3 H 3.102 0.006 2 841 92 126 TYR HD1 H 7.036 0.003 3 842 92 126 TYR HD2 H 7.036 0.003 3 843 92 126 TYR HE1 H 6.708 0.003 3 844 92 126 TYR HE2 H 6.708 0.003 3 845 92 126 TYR CB C 36.766 0.023 1 846 92 126 TYR CD1 C 133.329 0.032 3 847 92 126 TYR CE1 C 117.899 0.000 3 848 92 126 TYR N N 120.061 0.026 1 849 93 127 GLY H H 8.318 0.012 1 850 93 127 GLY HA2 H 3.703 0.001 2 851 93 127 GLY HA3 H 3.703 0.001 2 852 93 127 GLY CA C 41.898 0.000 1 853 93 127 GLY N N 109.723 0.016 1 854 94 128 ARG H H 8.049 0.013 1 855 94 128 ARG HA H 4.207 0.012 1 856 94 128 ARG HB2 H 1.481 0.008 2 857 94 128 ARG HB3 H 1.481 0.008 2 858 94 128 ARG HG2 H 1.613 0.000 2 859 94 128 ARG HG3 H 1.613 0.000 2 860 94 128 ARG HD2 H 3.012 0.011 2 861 94 128 ARG HD3 H 3.012 0.011 2 862 94 128 ARG HE H 7.124 0.002 1 863 94 128 ARG CB C 28.149 0.018 1 864 94 128 ARG N N 120.983 0.017 1 865 94 128 ARG NE N 84.981 0.000 1 866 95 129 PRO HG2 H 1.957 0.000 2 867 95 129 PRO HG3 H 1.957 0.000 2 868 95 129 PRO HD2 H 3.472 0.000 2 869 95 129 PRO HD3 H 3.724 0.001 2 870 95 129 PRO CD C 47.533 0.002 1 871 96 130 PRO HB2 H 2.176 0.000 2 872 96 130 PRO HB3 H 2.176 0.000 2 873 97 131 ASP H H 8.189 0.006 1 874 97 131 ASP HA H 4.504 0.002 1 875 97 131 ASP HB2 H 2.573 0.000 2 876 97 131 ASP HB3 H 2.573 0.000 2 877 97 131 ASP CB C 38.288 0.024 1 878 97 131 ASP N N 119.731 0.004 1 879 98 132 SER H H 8.071 0.000 1 880 98 132 SER HA H 4.292 0.002 1 881 98 132 SER HB2 H 3.734 0.015 2 882 98 132 SER HB3 H 3.734 0.015 2 883 98 132 SER CA C 55.578 0.000 1 884 98 132 SER N N 115.957 0.005 1 885 99 133 HIS HB2 H 3.011 0.000 2 886 99 133 HIS HB3 H 3.100 0.000 2 887 99 133 HIS HD2 H 7.071 0.003 1 888 99 133 HIS HE1 H 8.253 0.002 1 889 99 133 HIS CB C 26.829 0.001 1 890 99 133 HIS CD2 C 119.755 0.000 1 891 99 133 HIS CE1 C 137.118 0.000 1 892 100 134 HIS H H 8.293 0.005 1 893 100 134 HIS HB2 H 3.135 0.000 2 894 100 134 HIS HB3 H 3.222 0.000 2 895 100 134 HIS HD2 H 7.152 0.001 1 896 100 134 HIS HE1 H 8.283 0.002 1 897 100 134 HIS CB C 26.620 0.000 1 898 100 134 HIS CD2 C 119.968 0.000 1 899 100 134 HIS CE1 C 136.948 0.000 1 900 101 135 SER H H 8.163 0.010 1 901 101 135 SER HA H 4.256 0.002 1 902 101 135 SER HB2 H 3.847 0.001 2 903 101 135 SER HB3 H 3.847 0.001 2 904 101 135 SER CA C 57.127 0.000 1 905 101 135 SER CB C 61.230 0.000 1 906 101 135 SER N N 123.224 0.002 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $SRSF2_RRM_+UCCAGU $SRSF2_RRM_+UCCAGU_D2O stop_ _Sample_conditions_label $SRSF2_RRM_+_UCCAGU _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (5'-R(*UP*CP*CP*AP*GP*U)-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 1 102 1 U H1' H 5.667 0.002 . 2 102 1 U H2' H 4.253 0.009 . 3 102 1 U H3' H 4.579 0.008 . 4 102 1 U H4' H 4.117 0.003 . 5 102 1 U H5 H 5.923 0.009 . 6 102 1 U H6 H 7.801 0.002 . 7 103 2 C H1' H 6.424 0.002 . 8 103 2 C H2' H 4.356 0.003 . 9 103 2 C H3' H 5.007 0.002 . 10 103 2 C H4' H 4.243 0.006 . 11 103 2 C H5 H 6.117 0.003 . 12 103 2 C H6 H 7.850 0.003 . 13 104 3 C H1' H 6.364 0.005 . 14 104 3 C H2' H 4.200 0.010 . 15 104 3 C H3' H 4.745 0.002 . 16 104 3 C H4' H 4.480 0.009 . 17 104 3 C H5 H 6.037 0.004 . 18 104 3 C H6 H 7.751 0.003 . 19 105 4 A H1' H 6.154 0.001 . 20 105 4 A H2 H 8.192 0.003 . 21 105 4 A H2' H 4.930 0.003 . 22 105 4 A H3' H 4.792 0.007 . 23 105 4 A H4' H 4.361 0.004 . 24 105 4 A H8 H 8.590 0.002 . 25 106 5 G H1' H 5.912 0.006 . 26 106 5 G H2' H 4.671 0.003 . 27 106 5 G H3' H 4.811 0.004 . 28 106 5 G H4' H 4.239 0.003 . 29 106 5 G H8 H 7.973 0.002 . 30 107 6 U H1' H 5.934 0.004 . 31 107 6 U H2' H 4.330 0.002 . 32 107 6 U H3' H 4.233 0.002 . 33 107 6 U H5 H 5.934 0.000 . 34 107 6 U H6 H 7.887 0.002 . stop_ save_