################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51349 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NPSL2_Frag2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 51349 1 2 '2D 1H-1H TOCSY' . . . 51349 1 3 '2D 1H-1H NOESY' . . . 51349 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51349 1 2 $software_2 . . 51349 1 3 $software_3 . . 51349 1 4 $software_4 . . 51349 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.8082 0.0000 . 1 . . . . . 105 G H1' . 51349 1 2 . 1 . 1 1 1 G H2' H 1 4.9214 0.0000 . 1 . . . . . 105 G H2' . 51349 1 3 . 1 . 1 1 1 G H3' H 1 4.7156 0.0000 . 1 . . . . . 105 G H3' . 51349 1 4 . 1 . 1 1 1 G H8 H 1 8.1492 0.0000 . 1 . . . . . 105 G H8 . 51349 1 5 . 1 . 1 1 1 G C8 C 13 139.9701 0.0000 . 1 . . . . . 105 G C8 . 51349 1 6 . 1 . 1 2 2 G H1' H 1 5.8913 0.0000 . 1 . . . . . 106 G H1' . 51349 1 7 . 1 . 1 2 2 G H2' H 1 4.7076 0.0000 . 1 . . . . . 106 G H2' . 51349 1 8 . 1 . 1 2 2 G H3' H 1 4.6232 0.0000 . 1 . . . . . 106 G H3' . 51349 1 9 . 1 . 1 2 2 G H8 H 1 7.4776 0.0000 . 1 . . . . . 106 G H8 . 51349 1 10 . 1 . 1 2 2 G C8 C 13 137.4690 0.0000 . 1 . . . . . 106 G C8 . 51349 1 11 . 1 . 1 3 3 A H1' H 1 5.9641 0.0000 . 1 . . . . . 16 A H1' . 51349 1 12 . 1 . 1 3 3 A H2 H 1 7.4192 0.0000 . 1 . . . . . 16 A H2 . 51349 1 13 . 1 . 1 3 3 A H2' H 1 4.6710 0.0000 . 1 . . . . . 16 A H2' . 51349 1 14 . 1 . 1 3 3 A H3' H 1 4.6248 0.0000 . 1 . . . . . 16 A H3' . 51349 1 15 . 1 . 1 3 3 A H8 H 1 7.7439 0.0000 . 1 . . . . . 16 A H8 . 51349 1 16 . 1 . 1 3 3 A C2 C 13 153.8169 0.0000 . 1 . . . . . 16 A C2 . 51349 1 17 . 1 . 1 3 3 A C8 C 13 139.7782 0.0000 . 1 . . . . . 16 A C8 . 51349 1 18 . 1 . 1 4 4 G H1' H 1 5.6189 0.0000 . 1 . . . . . 17 G H1' . 51349 1 19 . 1 . 1 4 4 G H2' H 1 4.5244 0.0000 . 1 . . . . . 17 G H2' . 51349 1 20 . 1 . 1 4 4 G H3' H 1 4.4239 0.0000 . 1 . . . . . 17 G H3' . 51349 1 21 . 1 . 1 4 4 G H8 H 1 7.0628 0.0000 . 1 . . . . . 17 G H8 . 51349 1 22 . 1 . 1 4 4 G C8 C 13 136.3144 0.0000 . 1 . . . . . 17 G C8 . 51349 1 23 . 1 . 1 5 5 G H1' H 1 5.7159 0.0000 . 1 . . . . . 18 G H1' . 51349 1 24 . 1 . 1 5 5 G H2' H 1 4.5652 0.0000 . 1 . . . . . 18 G H2' . 51349 1 25 . 1 . 1 5 5 G H3' H 1 4.4268 0.0000 . 1 . . . . . 18 G H3' . 51349 1 26 . 1 . 1 5 5 G H8 H 1 7.0617 0.0000 . 1 . . . . . 18 G H8 . 51349 1 27 . 1 . 1 5 5 G C8 C 13 136.3857 0.0000 . 1 . . . . . 18 G C8 . 51349 1 28 . 1 . 1 6 6 G H1' H 1 5.6690 0.0000 . 1 . . . . . 19 G H1' . 51349 1 29 . 1 . 1 6 6 G H2' H 1 4.4032 0.0000 . 1 . . . . . 19 G H2' . 51349 1 30 . 1 . 1 6 6 G H3' H 1 4.5732 0.0000 . 1 . . . . . 19 G H3' . 51349 1 31 . 1 . 1 6 6 G H8 H 1 6.9971 0.0000 . 1 . . . . . 19 G H8 . 51349 1 32 . 1 . 1 6 6 G C8 C 13 136.6138 0.0000 . 1 . . . . . 19 G C8 . 51349 1 33 . 1 . 1 7 7 A H1' H 1 5.7911 0.0000 . 1 . . . . . 20 A H1' . 51349 1 34 . 1 . 1 7 7 A H2 H 1 8.0324 0.0000 . 1 . . . . . 20 A H2 . 51349 1 35 . 1 . 1 7 7 A H2' H 1 4.5530 0.0000 . 1 . . . . . 20 A H2' . 51349 1 36 . 1 . 1 7 7 A H3' H 1 4.6136 0.0000 . 1 . . . . . 20 A H3' . 51349 1 37 . 1 . 1 7 7 A H8 H 1 7.6508 0.0000 . 1 . . . . . 20 A H8 . 51349 1 38 . 1 . 1 7 7 A C2 C 13 155.5175 0.0000 . 1 . . . . . 20 A C2 . 51349 1 39 . 1 . 1 7 7 A C8 C 13 139.6784 0.0000 . 1 . . . . . 20 A C8 . 51349 1 40 . 1 . 1 8 8 A H1' H 1 5.7935 0.0000 . 1 . . . . . 21 A H1' . 51349 1 41 . 1 . 1 8 8 A H2 H 1 7.8652 0.0000 . 1 . . . . . 21 A H2 . 51349 1 42 . 1 . 1 8 8 A H2' H 1 4.6184 0.0000 . 1 . . . . . 21 A H2' . 51349 1 43 . 1 . 1 8 8 A H3' H 1 4.5753 0.0000 . 1 . . . . . 21 A H3' . 51349 1 44 . 1 . 1 8 8 A H8 H 1 7.8036 0.0000 . 1 . . . . . 21 A H8 . 51349 1 45 . 1 . 1 8 8 A C2 C 13 155.2452 0.0000 . 1 . . . . . 21 A C2 . 51349 1 46 . 1 . 1 8 8 A C8 C 13 140.2200 0.0000 . 1 . . . . . 21 A C8 . 51349 1 47 . 1 . 1 9 9 A H1' H 1 5.7914 0.0000 . 1 . . . . . 22 A H1' . 51349 1 48 . 1 . 1 9 9 A H2 H 1 8.0508 0.0000 . 1 . . . . . 22 A H2 . 51349 1 49 . 1 . 1 9 9 A H2' H 1 4.4367 0.0000 . 1 . . . . . 22 A H2' . 51349 1 50 . 1 . 1 9 9 A H3' H 1 4.5483 0.0000 . 1 . . . . . 22 A H3' . 51349 1 51 . 1 . 1 9 9 A H8 H 1 7.9197 0.0000 . 1 . . . . . 22 A H8 . 51349 1 52 . 1 . 1 9 9 A C2 C 13 155.5902 0.0000 . 1 . . . . . 22 A C2 . 51349 1 53 . 1 . 1 9 9 A C8 C 13 140.5100 0.0000 . 1 . . . . . 22 A C8 . 51349 1 54 . 1 . 1 10 10 C H1' H 1 5.6379 0.0000 . 1 . . . . . 23 C H1' . 51349 1 55 . 1 . 1 10 10 C H2' H 1 4.1689 0.0000 . 1 . . . . . 23 C H2' . 51349 1 56 . 1 . 1 10 10 C H3' H 1 4.3251 0.0000 . 1 . . . . . 23 C H3' . 51349 1 57 . 1 . 1 10 10 C H5 H 1 5.5227 0.0000 . 1 . . . . . 23 C H5 . 51349 1 58 . 1 . 1 10 10 C H6 H 1 7.5558 0.0000 . 1 . . . . . 23 C H6 . 51349 1 59 . 1 . 1 10 10 C C6 C 13 142.7288 0.0000 . 1 . . . . . 23 C C6 . 51349 1 60 . 1 . 1 11 11 U H1' H 1 5.6824 0.0000 . 1 . . . . . 24 U H1' . 51349 1 61 . 1 . 1 11 11 U H2' H 1 4.4303 0.0000 . 1 . . . . . 24 U H2' . 51349 1 62 . 1 . 1 11 11 U H3' H 1 4.5068 0.0000 . 1 . . . . . 24 U H3' . 51349 1 63 . 1 . 1 11 11 U H5 H 1 5.5753 0.0000 . 1 . . . . . 24 U H5 . 51349 1 64 . 1 . 1 11 11 U H6 H 1 7.6891 0.0000 . 1 . . . . . 24 U H6 . 51349 1 65 . 1 . 1 11 11 U C6 C 13 143.7836 0.0000 . 1 . . . . . 24 U C6 . 51349 1 66 . 1 . 1 12 12 C H1' H 1 5.6233 0.0000 . 1 . . . . . 25 C H1' . 51349 1 67 . 1 . 1 12 12 C H2' H 1 4.4498 0.0000 . 1 . . . . . 25 C H2' . 51349 1 68 . 1 . 1 12 12 C H3' H 1 4.4785 0.0000 . 1 . . . . . 25 C H3' . 51349 1 69 . 1 . 1 12 12 C H5 H 1 5.6154 0.0000 . 1 . . . . . 25 C H5 . 51349 1 70 . 1 . 1 12 12 C H6 H 1 7.6254 0.0000 . 1 . . . . . 25 C H6 . 51349 1 71 . 1 . 1 12 12 C C6 C 13 143.0994 0.0000 . 1 . . . . . 25 C C6 . 51349 1 72 . 1 . 1 13 13 A H1' H 1 5.8111 0.0000 . 1 . . . . . 26 A H1' . 51349 1 73 . 1 . 1 13 13 A H2 H 1 7.6899 0.0000 . 1 . . . . . 26 A H2 . 51349 1 74 . 1 . 1 13 13 A H2' H 1 4.7319 0.0000 . 1 . . . . . 26 A H2' . 51349 1 75 . 1 . 1 13 13 A H3' H 1 4.7499 0.0000 . 1 . . . . . 26 A H3' . 51349 1 76 . 1 . 1 13 13 A H8 H 1 8.1677 0.0000 . 1 . . . . . 26 A H8 . 51349 1 77 . 1 . 1 13 13 A C2 C 13 154.8997 0.0000 . 1 . . . . . 26 A C2 . 51349 1 78 . 1 . 1 13 13 A C8 C 13 141.4298 0.0000 . 1 . . . . . 26 A C8 . 51349 1 79 . 1 . 1 14 14 A H1' H 1 5.6763 0.0000 . 1 . . . . . 27 A H1' . 51349 1 80 . 1 . 1 14 14 A H2 H 1 7.7320 0.0000 . 1 . . . . . 27 A H2 . 51349 1 81 . 1 . 1 14 14 A H2' H 1 4.6447 0.0000 . 1 . . . . . 27 A H2' . 51349 1 82 . 1 . 1 14 14 A H3' H 1 4.6578 0.0000 . 1 . . . . . 27 A H3' . 51349 1 83 . 1 . 1 14 14 A H8 H 1 7.9598 0.0000 . 1 . . . . . 27 A H8 . 51349 1 84 . 1 . 1 14 14 A C2 C 13 154.7961 0.0000 . 1 . . . . . 27 A C2 . 51349 1 85 . 1 . 1 14 14 A C8 C 13 140.7389 0.0000 . 1 . . . . . 27 A C8 . 51349 1 86 . 1 . 1 15 15 A H1' H 1 5.7346 0.0000 . 1 . . . . . 28 A H1' . 51349 1 87 . 1 . 1 15 15 A H2 H 1 8.0331 0.0000 . 1 . . . . . 28 A H2 . 51349 1 88 . 1 . 1 15 15 A H2' H 1 4.5072 0.0000 . 1 . . . . . 28 A H2' . 51349 1 89 . 1 . 1 15 15 A H3' H 1 4.5550 0.0000 . 1 . . . . . 28 A H3' . 51349 1 90 . 1 . 1 15 15 A H8 H 1 7.9375 0.0000 . 1 . . . . . 28 A H8 . 51349 1 91 . 1 . 1 15 15 A C2 C 13 155.4897 0.0000 . 1 . . . . . 28 A C2 . 51349 1 92 . 1 . 1 15 15 A C8 C 13 140.5639 0.0000 . 1 . . . . . 28 A C8 . 51349 1 93 . 1 . 1 16 16 C H1' H 1 5.5813 0.0000 . 1 . . . . . 29 C H1' . 51349 1 94 . 1 . 1 16 16 C H2' H 1 4.2634 0.0000 . 1 . . . . . 29 C H2' . 51349 1 95 . 1 . 1 16 16 C H3' H 1 4.4415 0.0000 . 1 . . . . . 29 C H3' . 51349 1 96 . 1 . 1 16 16 C H5 H 1 5.4082 0.0000 . 1 . . . . . 29 C H5 . 51349 1 97 . 1 . 1 16 16 C H6 H 1 7.4771 0.0000 . 1 . . . . . 29 C H6 . 51349 1 98 . 1 . 1 16 16 C C6 C 13 141.6362 0.0000 . 1 . . . . . 29 C C6 . 51349 1 99 . 1 . 1 17 17 C H1' H 1 5.5874 0.0000 . 1 . . . . . 30 C H1' . 51349 1 100 . 1 . 1 17 17 C H2' H 1 4.4080 0.0000 . 1 . . . . . 30 C H2' . 51349 1 101 . 1 . 1 17 17 C H3' H 1 4.5299 0.0000 . 1 . . . . . 30 C H3' . 51349 1 102 . 1 . 1 17 17 C H5 H 1 5.7553 0.0000 . 1 . . . . . 30 C H5 . 51349 1 103 . 1 . 1 17 17 C H6 H 1 7.8604 0.0000 . 1 . . . . . 30 C H6 . 51349 1 104 . 1 . 1 17 17 C C6 C 13 142.3738 0.0000 . 1 . . . . . 30 C C6 . 51349 1 105 . 1 . 1 18 18 C H1' H 1 5.4844 0.0000 . 1 . . . . . 31 C H1' . 51349 1 106 . 1 . 1 18 18 C H2' H 1 4.4702 0.0000 . 1 . . . . . 31 C H2' . 51349 1 107 . 1 . 1 18 18 C H3' H 1 4.4917 0.0000 . 1 . . . . . 31 C H3' . 51349 1 108 . 1 . 1 18 18 C H5 H 1 5.4848 0.0000 . 1 . . . . . 31 C H5 . 51349 1 109 . 1 . 1 18 18 C H6 H 1 7.8667 0.0000 . 1 . . . . . 31 C H6 . 51349 1 110 . 1 . 1 18 18 C C6 C 13 142.2156 0.0000 . 1 . . . . . 31 C C6 . 51349 1 111 . 1 . 1 19 19 C H1' H 1 5.4475 0.0000 . 1 . . . . . 32 C H1' . 51349 1 112 . 1 . 1 19 19 C H2' H 1 4.3948 0.0000 . 1 . . . . . 32 C H2' . 51349 1 113 . 1 . 1 19 19 C H3' H 1 4.5036 0.0000 . 1 . . . . . 32 C H3' . 51349 1 114 . 1 . 1 19 19 C H5 H 1 5.4476 0.0000 . 1 . . . . . 32 C H5 . 51349 1 115 . 1 . 1 19 19 C H6 H 1 7.8221 0.0000 . 1 . . . . . 32 C H6 . 51349 1 116 . 1 . 1 19 19 C C6 C 13 142.2014 0.0000 . 1 . . . . . 32 C C6 . 51349 1 117 . 1 . 1 20 20 U H1' H 1 5.5042 0.0000 . 1 . . . . . 33 U H1' . 51349 1 118 . 1 . 1 20 20 U H2' H 1 4.5095 0.0000 . 1 . . . . . 33 U H2' . 51349 1 119 . 1 . 1 20 20 U H3' H 1 4.5263 0.0000 . 1 . . . . . 33 U H3' . 51349 1 120 . 1 . 1 20 20 U H5 H 1 5.3891 0.0000 . 1 . . . . . 33 U H5 . 51349 1 121 . 1 . 1 20 20 U H6 H 1 7.9376 0.0000 . 1 . . . . . 33 U H6 . 51349 1 122 . 1 . 1 20 20 U C6 C 13 143.0593 0.0000 . 1 . . . . . 33 U C6 . 51349 1 123 . 1 . 1 21 21 C H1' H 1 5.5437 0.0000 . 1 . . . . . 107 C H1' . 51349 1 124 . 1 . 1 21 21 C H2' H 1 4.1881 0.0000 . 1 . . . . . 107 C H2' . 51349 1 125 . 1 . 1 21 21 C H3' H 1 4.4685 0.0000 . 1 . . . . . 107 C H3' . 51349 1 126 . 1 . 1 21 21 C H5 H 1 5.6191 0.0000 . 1 . . . . . 107 C H5 . 51349 1 127 . 1 . 1 21 21 C H6 H 1 7.9184 0.0000 . 1 . . . . . 107 C H6 . 51349 1 128 . 1 . 1 21 21 C C6 C 13 142.6876 0.0000 . 1 . . . . . 107 C C6 . 51349 1 129 . 1 . 1 22 22 C H1' H 1 5.6751 0.0000 . 1 . . . . . 108 C H1' . 51349 1 130 . 1 . 1 22 22 C H2' H 1 4.0180 0.0000 . 1 . . . . . 108 C H2' . 51349 1 131 . 1 . 1 22 22 C H3' H 1 4.1989 0.0000 . 1 . . . . . 108 C H3' . 51349 1 132 . 1 . 1 22 22 C H5 H 1 5.4376 0.0000 . 1 . . . . . 108 C H5 . 51349 1 133 . 1 . 1 22 22 C H6 H 1 7.6309 0.0000 . 1 . . . . . 108 C H6 . 51349 1 134 . 1 . 1 22 22 C C6 C 13 142.7858 0.0000 . 1 . . . . . 108 C C6 . 51349 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51349 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name NPSL2_Frag2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D 1H-13C HMQC' . . . 51349 2 5 '2D 1H-1H NOESY' . . . 51349 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51349 2 2 $software_2 . . 51349 2 3 $software_3 . . 51349 2 4 $software_4 . . 51349 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.8278 0.0000 . 1 . . . . . 105 G H1' . 51349 2 2 . 1 . 1 1 1 G H2' H 1 4.9463 0.0000 . 1 . . . . . 105 G H2' . 51349 2 3 . 1 . 1 1 1 G H3' H 1 4.7548 0.0000 . 1 . . . . . 105 G H3' . 51349 2 4 . 1 . 1 1 1 G H8 H 1 8.1764 0.0000 . 1 . . . . . 105 G H8 . 51349 2 5 . 1 . 1 2 2 G H1' H 1 5.9022 0.0000 . 1 . . . . . 106 G H1' . 51349 2 6 . 1 . 1 2 2 G H2' H 1 4.7548 0.0000 . 1 . . . . . 106 G H2' . 51349 2 7 . 1 . 1 2 2 G H3' H 1 4.6590 0.0000 . 1 . . . . . 106 G H3' . 51349 2 8 . 1 . 1 2 2 G H8 H 1 7.5150 0.0000 . 1 . . . . . 106 G H8 . 51349 2 9 . 1 . 1 3 3 A H1' H 1 5.9812 0.0000 . 1 . . . . . 16 A H1' . 51349 2 10 . 1 . 1 3 3 A H2 H 1 7.4488 0.0000 . 1 . . . . . 16 A H2 . 51349 2 11 . 1 . 1 3 3 A H8 H 1 7.7536 0.0000 . 1 . . . . . 16 A H8 . 51349 2 12 . 1 . 1 4 4 G H1' H 1 5.6353 0.0000 . 1 . . . . . 17 G H1' . 51349 2 13 . 1 . 1 4 4 G H8 H 1 7.0911 0.0000 . 1 . . . . . 17 G H8 . 51349 2 14 . 1 . 1 5 5 G H1' H 1 5.7322 0.0000 . 1 . . . . . 18 G H1' . 51349 2 15 . 1 . 1 5 5 G H8 H 1 7.0865 0.0000 . 1 . . . . . 18 G H8 . 51349 2 16 . 1 . 1 6 6 G H1' H 1 5.6739 0.0000 . 1 . . . . . 19 G H1' . 51349 2 17 . 1 . 1 6 6 G H8 H 1 6.9975 0.0000 . 1 . . . . . 19 G H8 . 51349 2 18 . 1 . 1 7 7 A H1' H 1 5.7888 0.0000 . 1 . . . . . 20 A H1' . 51349 2 19 . 1 . 1 7 7 A H2 H 1 8.0190 0.0000 . 1 . . . . . 20 A H2 . 51349 2 20 . 1 . 1 7 7 A H8 H 1 7.6845 0.0000 . 1 . . . . . 20 A H8 . 51349 2 21 . 1 . 1 8 8 A H1' H 1 5.8076 0.0000 . 1 . . . . . 21 A H1' . 51349 2 22 . 1 . 1 8 8 A H2 H 1 7.8427 0.0000 . 1 . . . . . 21 A H2 . 51349 2 23 . 1 . 1 8 8 A H8 H 1 7.8388 0.0000 . 1 . . . . . 21 A H8 . 51349 2 24 . 1 . 1 9 9 A H1' H 1 5.8079 0.0000 . 1 . . . . . 22 A H1' . 51349 2 25 . 1 . 1 9 9 A H2 H 1 8.0448 0.0000 . 1 . . . . . 22 A H2 . 51349 2 26 . 1 . 1 9 9 A H8 H 1 7.9734 0.0000 . 1 . . . . . 22 A H8 . 51349 2 27 . 1 . 1 10 10 C H1' H 1 5.6765 0.0000 . 1 . . . . . 23 C H1' . 51349 2 28 . 1 . 1 10 10 C H5 H 1 5.5845 0.0000 . 1 . . . . . 23 C H5 . 51349 2 29 . 1 . 1 10 10 C H6 H 1 7.6019 0.0000 . 1 . . . . . 23 C H6 . 51349 2 30 . 1 . 1 11 11 U H1' H 1 5.7309 0.0000 . 1 . . . . . 24 U H1' . 51349 2 31 . 1 . 1 11 11 U H5 H 1 5.6379 0.0000 . 1 . . . . . 24 U H5 . 51349 2 32 . 1 . 1 11 11 U H6 H 1 7.6983 0.0000 . 1 . . . . . 24 U H6 . 51349 2 33 . 1 . 1 12 12 C H1' H 1 5.6739 0.0000 . 1 . . . . . 25 C H1' . 51349 2 34 . 1 . 1 12 12 C H5 H 1 5.6929 0.0000 . 1 . . . . . 25 C H5 . 51349 2 35 . 1 . 1 12 12 C H6 H 1 7.6202 0.0000 . 1 . . . . . 25 C H6 . 51349 2 36 . 1 . 1 13 13 A H1' H 1 5.8262 0.0000 . 1 . . . . . 26 A H1' . 51349 2 37 . 1 . 1 13 13 A H2 H 1 7.7346 0.0000 . 1 . . . . . 26 A H2 . 51349 2 38 . 1 . 1 13 13 A H8 H 1 8.1772 0.0000 . 1 . . . . . 26 A H8 . 51349 2 39 . 1 . 1 14 14 A H1' H 1 5.7499 0.0000 . 1 . . . . . 27 A H1' . 51349 2 40 . 1 . 1 14 14 A H2 H 1 7.7450 0.0000 . 1 . . . . . 27 A H2 . 51349 2 41 . 1 . 1 14 14 A H8 H 1 8.0152 0.0000 . 1 . . . . . 27 A H8 . 51349 2 42 . 1 . 1 15 15 A H1' H 1 5.7700 0.0000 . 1 . . . . . 28 A H1' . 51349 2 43 . 1 . 1 15 15 A H2 H 1 8.0186 0.0000 . 1 . . . . . 28 A H2 . 51349 2 44 . 1 . 1 15 15 A H8 H 1 7.9969 0.0000 . 1 . . . . . 28 A H8 . 51349 2 45 . 1 . 1 16 16 C H1' H 1 5.6481 0.0000 . 1 . . . . . 29 C H1' . 51349 2 46 . 1 . 1 16 16 C H5 H 1 5.4829 0.0000 . 1 . . . . . 29 C H5 . 51349 2 47 . 1 . 1 16 16 C H6 H 1 7.5432 0.0000 . 1 . . . . . 29 C H6 . 51349 2 48 . 1 . 1 17 17 C H1' H 1 5.4838 0.0000 . 1 . . . . . 30 C H1' . 51349 2 49 . 1 . 1 17 17 C H5 H 1 5.8268 0.0000 . 1 . . . . . 30 C H5 . 51349 2 50 . 1 . 1 17 17 C H6 H 1 7.9000 0.0000 . 1 . . . . . 30 C H6 . 51349 2 51 . 1 . 1 18 18 C H1' H 1 5.4993 0.0000 . 1 . . . . . 31 C H1' . 51349 2 52 . 1 . 1 18 18 C H5 H 1 5.5214 0.0000 . 1 . . . . . 31 C H5 . 51349 2 53 . 1 . 1 18 18 C H6 H 1 7.8780 0.0000 . 1 . . . . . 31 C H6 . 51349 2 54 . 1 . 1 19 19 C H1' H 1 5.4638 0.0000 . 1 . . . . . 32 C H1' . 51349 2 55 . 1 . 1 19 19 C H5 H 1 5.4890 0.0000 . 1 . . . . . 32 C H5 . 51349 2 56 . 1 . 1 19 19 C H6 H 1 7.8342 0.0000 . 1 . . . . . 32 C H6 . 51349 2 57 . 1 . 1 20 20 U H1' H 1 5.5201 0.0000 . 1 . . . . . 33 U H1' . 51349 2 58 . 1 . 1 20 20 U H5 H 1 5.4049 0.0000 . 1 . . . . . 33 U H5 . 51349 2 59 . 1 . 1 20 20 U H6 H 1 7.9545 0.0000 . 1 . . . . . 33 U H6 . 51349 2 60 . 1 . 1 21 21 C H1' H 1 5.5584 0.0000 . 1 . . . . . 107 C H1' . 51349 2 61 . 1 . 1 21 21 C H5 H 1 5.6557 0.0000 . 1 . . . . . 107 C H5 . 51349 2 62 . 1 . 1 21 21 C H6 H 1 7.9212 0.0000 . 1 . . . . . 107 C H6 . 51349 2 63 . 1 . 1 22 22 C H1' H 1 5.7899 0.0000 . 1 . . . . . 108 C H1' . 51349 2 64 . 1 . 1 22 22 C H5 H 1 5.4648 0.0000 . 1 . . . . . 108 C H5 . 51349 2 65 . 1 . 1 22 22 C H6 H 1 7.6545 0.0000 . 1 . . . . . 108 C H6 . 51349 2 stop_ save_