################################### # 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 51348 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NPSL2_Frag1 _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 1 '2D 1H-13C HMQC' . . . 51348 1 2 '2D 1H-1H TOCSY' . . . 51348 1 3 '2D 1H-1H NOESY' . . . 51348 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 . . 51348 1 2 $software_2 . . 51348 1 3 $software_3 . . 51348 1 4 $software_4 . . 51348 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 5.8453 0.0000 . 1 . . . . . 1 G H1' . 51348 1 2 . 1 . 1 1 1 G H2' H 1 4.9398 0.0000 . 1 . . . . . 1 G H2' . 51348 1 3 . 1 . 1 1 1 G H3' H 1 4.7173 0.0000 . 1 . . . . . 1 G H3' . 51348 1 4 . 1 . 1 1 1 G H8 H 1 8.1983 0.0000 . 1 . . . . . 1 G H8 . 51348 1 5 . 1 . 1 1 1 G C8 C 13 139.2510 0.0000 . 1 . . . . . 1 G C8 . 51348 1 6 . 1 . 1 2 2 G H1' H 1 5.9597 0.0000 . 1 . . . . . 2 G H1' . 51348 1 7 . 1 . 1 2 2 G H2' H 1 4.7509 0.0000 . 1 . . . . . 2 G H2' . 51348 1 8 . 1 . 1 2 2 G H3' H 1 4.5698 0.0000 . 1 . . . . . 2 G H3' . 51348 1 9 . 1 . 1 2 2 G H8 H 1 7.6097 0.0000 . 1 . . . . . 2 G H8 . 51348 1 10 . 1 . 1 2 2 G C8 C 13 137.2833 0.0000 . 1 . . . . . 2 G C8 . 51348 1 11 . 1 . 1 3 3 G H1' H 1 5.8077 0.0000 . 1 . . . . . 3 G H1' . 51348 1 12 . 1 . 1 3 3 G H2' H 1 4.5178 0.0000 . 1 . . . . . 3 G H2' . 51348 1 13 . 1 . 1 3 3 G H3' H 1 4.4498 0.0000 . 1 . . . . . 3 G H3' . 51348 1 14 . 1 . 1 3 3 G H8 H 1 7.2433 0.0000 . 1 . . . . . 3 G H8 . 51348 1 15 . 1 . 1 3 3 G C8 C 13 136.2809 0.0000 . 1 . . . . . 3 G C8 . 51348 1 16 . 1 . 1 4 4 U H1' H 1 5.5783 0.0000 . 1 . . . . . 4 U H1' . 51348 1 17 . 1 . 1 4 4 U H2' H 1 4.7540 0.0000 . 1 . . . . . 4 U H2' . 51348 1 18 . 1 . 1 4 4 U H3' H 1 4.5423 0.0000 . 1 . . . . . 4 U H3' . 51348 1 19 . 1 . 1 4 4 U H5 H 1 5.1130 0.0000 . 1 . . . . . 4 U H5 . 51348 1 20 . 1 . 1 4 4 U H6 H 1 7.7185 0.0000 . 1 . . . . . 4 U H6 . 51348 1 21 . 1 . 1 4 4 U C6 C 13 141.7274 0.0000 . 1 . . . . . 4 U C6 . 51348 1 22 . 1 . 1 5 5 G H1' H 1 5.7833 0.0000 . 1 . . . . . 5 G H1' . 51348 1 23 . 1 . 1 5 5 G H2' H 1 4.5163 0.0000 . 1 . . . . . 5 G H2' . 51348 1 24 . 1 . 1 5 5 G H3' H 1 4.5163 0.0000 . 1 . . . . . 5 G H3' . 51348 1 25 . 1 . 1 5 5 G H8 H 1 7.7377 0.0000 . 1 . . . . . 5 G H8 . 51348 1 26 . 1 . 1 5 5 G C8 C 13 136.5928 0.0000 . 1 . . . . . 5 G C8 . 51348 1 27 . 1 . 1 6 6 U H1' H 1 5.4615 0.0000 . 1 . . . . . 6 U H1' . 51348 1 28 . 1 . 1 6 6 U H2' H 1 4.5708 0.0000 . 1 . . . . . 6 U H2' . 51348 1 29 . 1 . 1 6 6 U H3' H 1 4.5958 0.0000 . 1 . . . . . 6 U H3' . 51348 1 30 . 1 . 1 6 6 U H5 H 1 5.1319 0.0000 . 1 . . . . . 6 U H5 . 51348 1 31 . 1 . 1 6 6 U H6 H 1 7.7994 0.0000 . 1 . . . . . 6 U H6 . 51348 1 32 . 1 . 1 6 6 U C6 C 13 141.6494 0.0000 . 1 . . . . . 6 U C6 . 51348 1 33 . 1 . 1 7 7 A H1' H 1 5.9787 0.0000 . 1 . . . . . 7 A H1' . 51348 1 34 . 1 . 1 7 7 A H2 H 1 6.7153 0.0000 . 1 . . . . . 7 A H2 . 51348 1 35 . 1 . 1 7 7 A H2' H 1 4.7408 0.0000 . 1 . . . . . 7 A H2' . 51348 1 36 . 1 . 1 7 7 A H3' H 1 4.6852 0.0000 . 1 . . . . . 7 A H3' . 51348 1 37 . 1 . 1 7 7 A H8 H 1 8.1329 0.0000 . 1 . . . . . 7 A H8 . 51348 1 38 . 1 . 1 7 7 A C2 C 13 152.5048 0.0000 . 1 . . . . . 7 A C2 . 51348 1 39 . 1 . 1 7 7 A C8 C 13 139.8005 0.0000 . 1 . . . . . 7 A C8 . 51348 1 40 . 1 . 1 8 8 G H1' H 1 5.5002 0.0000 . 1 . . . . . 8 G H1' . 51348 1 41 . 1 . 1 8 8 G H2' H 1 4.5456 0.0000 . 1 . . . . . 8 G H2' . 51348 1 42 . 1 . 1 8 8 G H3' H 1 4.4657 0.0000 . 1 . . . . . 8 G H3' . 51348 1 43 . 1 . 1 8 8 G H8 H 1 7.1478 0.0000 . 1 . . . . . 8 G H8 . 51348 1 44 . 1 . 1 8 8 G C8 C 13 135.9802 0.0000 . 1 . . . . . 8 G C8 . 51348 1 45 . 1 . 1 9 9 A H1' H 1 5.8632 0.0000 . 1 . . . . . 9 A H1' . 51348 1 46 . 1 . 1 9 9 A H2 H 1 7.0908 0.0000 . 1 . . . . . 9 A H2 . 51348 1 47 . 1 . 1 9 9 A H2' H 1 4.5429 0.0000 . 1 . . . . . 9 A H2' . 51348 1 48 . 1 . 1 9 9 A H3' H 1 4.4655 0.0000 . 1 . . . . . 9 A H3' . 51348 1 49 . 1 . 1 9 9 A H8 H 1 7.6726 0.0000 . 1 . . . . . 9 A H8 . 51348 1 50 . 1 . 1 9 9 A C2 C 13 152.9354 0.0000 . 1 . . . . . 9 A C2 . 51348 1 51 . 1 . 1 9 9 A C8 C 13 139.3439 0.0000 . 1 . . . . . 9 A C8 . 51348 1 52 . 1 . 1 10 10 A H1' H 1 5.9399 0.0000 . 1 . . . . . 10 A H1' . 51348 1 53 . 1 . 1 10 10 A H2 H 1 7.8117 0.0000 . 1 . . . . . 10 A H2 . 51348 1 54 . 1 . 1 10 10 A H2' H 1 4.5015 0.0000 . 1 . . . . . 10 A H2' . 51348 1 55 . 1 . 1 10 10 A H3' H 1 4.5226 0.0000 . 1 . . . . . 10 A H3' . 51348 1 56 . 1 . 1 10 10 A H8 H 1 7.5944 0.0000 . 1 . . . . . 10 A H8 . 51348 1 57 . 1 . 1 10 10 A C2 C 13 153.7866 0.0000 . 1 . . . . . 10 A C2 . 51348 1 58 . 1 . 1 10 10 A C8 C 13 138.8204 0.0000 . 1 . . . . . 10 A C8 . 51348 1 59 . 1 . 1 11 11 G H1' H 1 5.5185 0.0000 . 1 . . . . . 101 G H1' . 51348 1 60 . 1 . 1 11 11 G H2' H 1 4.3138 0.0000 . 1 . . . . . 101 G H2' . 51348 1 61 . 1 . 1 11 11 G H3' H 1 4.6226 0.0000 . 1 . . . . . 101 G H3' . 51348 1 62 . 1 . 1 11 11 G H8 H 1 7.0643 0.0000 . 1 . . . . . 101 G H8 . 51348 1 63 . 1 . 1 11 11 G C8 C 13 136.0878 0.0000 . 1 . . . . . 101 G C8 . 51348 1 64 . 1 . 1 12 12 A H1' H 1 5.7142 0.0000 . 1 . . . . . 102 A H1' . 51348 1 65 . 1 . 1 12 12 A H2 H 1 7.9551 0.0000 . 1 . . . . . 102 A H2 . 51348 1 66 . 1 . 1 12 12 A H2' H 1 4.6792 0.0000 . 1 . . . . . 102 A H2' . 51348 1 67 . 1 . 1 12 12 A H3' H 1 4.4659 0.0000 . 1 . . . . . 102 A H3' . 51348 1 68 . 1 . 1 12 12 A H8 H 1 8.2584 0.0000 . 1 . . . . . 102 A H8 . 51348 1 69 . 1 . 1 12 12 A C2 C 13 154.5795 0.0000 . 1 . . . . . 102 A C2 . 51348 1 70 . 1 . 1 12 12 A C8 C 13 141.9687 0.0000 . 1 . . . . . 102 A C8 . 51348 1 71 . 1 . 1 13 13 G H1' H 1 5.1942 0.0000 . 1 . . . . . 103 G H1' . 51348 1 72 . 1 . 1 13 13 G H2' H 1 4.3970 0.0000 . 1 . . . . . 103 G H2' . 51348 1 73 . 1 . 1 13 13 G H3' H 1 4.6488 0.0000 . 1 . . . . . 103 G H3' . 51348 1 74 . 1 . 1 13 13 G H8 H 1 7.5946 0.0000 . 1 . . . . . 103 G H8 . 51348 1 75 . 1 . 1 13 13 G C8 C 13 137.4393 0.0000 . 1 . . . . . 103 G C8 . 51348 1 76 . 1 . 1 14 14 A H1' H 1 6.1350 0.0000 . 1 . . . . . 104 A H1' . 51348 1 77 . 1 . 1 14 14 A H2 H 1 8.3135 0.0000 . 1 . . . . . 104 A H2 . 51348 1 78 . 1 . 1 14 14 A H2' H 1 4.5464 0.0000 . 1 . . . . . 104 A H2' . 51348 1 79 . 1 . 1 14 14 A H3' H 1 4.9062 0.0000 . 1 . . . . . 104 A H3' . 51348 1 80 . 1 . 1 14 14 A H8 H 1 8.2116 0.0000 . 1 . . . . . 104 A H8 . 51348 1 81 . 1 . 1 14 14 A C2 C 13 155.8084 0.0000 . 1 . . . . . 104 A C2 . 51348 1 82 . 1 . 1 14 14 A C8 C 13 140.3945 0.0000 . 1 . . . . . 104 A C8 . 51348 1 83 . 1 . 1 15 15 U H1' H 1 4.4839 0.0000 . 1 . . . . . 34 U H1' . 51348 1 84 . 1 . 1 15 15 U H2' H 1 4.2812 0.0000 . 1 . . . . . 34 U H2' . 51348 1 85 . 1 . 1 15 15 U H3' H 1 4.4239 0.0000 . 1 . . . . . 34 U H3' . 51348 1 86 . 1 . 1 15 15 U H5 H 1 5.9665 0.0000 . 1 . . . . . 34 U H5 . 51348 1 87 . 1 . 1 15 15 U H6 H 1 8.1097 0.0000 . 1 . . . . . 34 U H6 . 51348 1 88 . 1 . 1 15 15 U C6 C 13 143.0379 0.0000 . 1 . . . . . 34 U C6 . 51348 1 89 . 1 . 1 16 16 U H1' H 1 5.6715 0.0000 . 1 . . . . . 35 U H1' . 51348 1 90 . 1 . 1 16 16 U H2' H 1 4.4524 0.0000 . 1 . . . . . 35 U H2' . 51348 1 91 . 1 . 1 16 16 U H3' H 1 4.5095 0.0000 . 1 . . . . . 35 U H3' . 51348 1 92 . 1 . 1 16 16 U H5 H 1 5.6603 0.0000 . 1 . . . . . 35 U H5 . 51348 1 93 . 1 . 1 16 16 U H6 H 1 8.0320 0.0000 . 1 . . . . . 35 U H6 . 51348 1 94 . 1 . 1 16 16 U C6 C 13 142.7298 0.0000 . 1 . . . . . 35 U C6 . 51348 1 95 . 1 . 1 17 17 C H1' H 1 5.4681 0.0000 . 1 . . . . . 36 C H1' . 51348 1 96 . 1 . 1 17 17 C H2' H 1 4.2928 0.0000 . 1 . . . . . 36 C H2' . 51348 1 97 . 1 . 1 17 17 C H3' H 1 4.4742 0.0000 . 1 . . . . . 36 C H3' . 51348 1 98 . 1 . 1 17 17 C H5 H 1 5.6691 0.0000 . 1 . . . . . 36 C H5 . 51348 1 99 . 1 . 1 17 17 C H6 H 1 7.9066 0.0000 . 1 . . . . . 36 C H6 . 51348 1 100 . 1 . 1 17 17 C C6 C 13 141.9835 0.0000 . 1 . . . . . 36 C C6 . 51348 1 101 . 1 . 1 18 18 U H1' H 1 5.4048 0.0000 . 1 . . . . . 37 U H1' . 51348 1 102 . 1 . 1 18 18 U H2' H 1 4.5009 0.0000 . 1 . . . . . 37 U H2' . 51348 1 103 . 1 . 1 18 18 U H3' H 1 4.6169 0.0000 . 1 . . . . . 37 U H3' . 51348 1 104 . 1 . 1 18 18 U H5 H 1 5.4100 0.0000 . 1 . . . . . 37 U H5 . 51348 1 105 . 1 . 1 18 18 U H6 H 1 7.8945 0.0000 . 1 . . . . . 37 U H6 . 51348 1 106 . 1 . 1 18 18 U C6 C 13 141.9501 0.0000 . 1 . . . . . 37 U C6 . 51348 1 107 . 1 . 1 19 19 A H1' H 1 5.9647 0.0000 . 1 . . . . . 38 A H1' . 51348 1 108 . 1 . 1 19 19 A H2 H 1 7.0604 0.0000 . 1 . . . . . 38 A H2 . 51348 1 109 . 1 . 1 19 19 A H2' H 1 4.6237 0.0000 . 1 . . . . . 38 A H2' . 51348 1 110 . 1 . 1 19 19 A H3' H 1 4.7378 0.0000 . 1 . . . . . 38 A H3' . 51348 1 111 . 1 . 1 19 19 A H8 H 1 8.2495 0.0000 . 1 . . . . . 38 A H8 . 51348 1 112 . 1 . 1 19 19 A C2 C 13 153.2651 0.0000 . 1 . . . . . 38 A C2 . 51348 1 113 . 1 . 1 19 19 A C8 C 13 139.8859 0.0000 . 1 . . . . . 38 A C8 . 51348 1 114 . 1 . 1 20 20 C H1' H 1 5.3299 0.0000 . 1 . . . . . 39 C H1' . 51348 1 115 . 1 . 1 20 20 C H2' H 1 4.2795 0.0000 . 1 . . . . . 39 C H2' . 51348 1 116 . 1 . 1 20 20 C H3' H 1 4.4994 0.0000 . 1 . . . . . 39 C H3' . 51348 1 117 . 1 . 1 20 20 C H5 H 1 5.2087 0.0000 . 1 . . . . . 39 C H5 . 51348 1 118 . 1 . 1 20 20 C H6 H 1 7.6069 0.0000 . 1 . . . . . 39 C H6 . 51348 1 119 . 1 . 1 20 20 C C6 C 13 140.8697 0.0000 . 1 . . . . . 39 C C6 . 51348 1 120 . 1 . 1 21 21 A H1' H 1 5.9098 0.0000 . 1 . . . . . 40 A H1' . 51348 1 121 . 1 . 1 21 21 A H2 H 1 7.4390 0.0000 . 1 . . . . . 40 A H2 . 51348 1 122 . 1 . 1 21 21 A H2' H 1 4.5666 0.0000 . 1 . . . . . 40 A H2' . 51348 1 123 . 1 . 1 21 21 A H3' H 1 4.6958 0.0000 . 1 . . . . . 40 A H3' . 51348 1 124 . 1 . 1 21 21 A H8 H 1 8.1007 0.0000 . 1 . . . . . 40 A H8 . 51348 1 125 . 1 . 1 21 21 A C2 C 13 153.5692 0.0000 . 1 . . . . . 40 A C2 . 51348 1 126 . 1 . 1 21 21 A C8 C 13 139.6669 0.0000 . 1 . . . . . 40 A C8 . 51348 1 127 . 1 . 1 22 22 C H1' H 1 5.4232 0.0000 . 1 . . . . . 41 C H1' . 51348 1 128 . 1 . 1 22 22 C H2' H 1 4.2188 0.0000 . 1 . . . . . 41 C H2' . 51348 1 129 . 1 . 1 22 22 C H3' H 1 4.3905 0.0000 . 1 . . . . . 41 C H3' . 51348 1 130 . 1 . 1 22 22 C H5 H 1 5.2076 0.0000 . 1 . . . . . 41 C H5 . 51348 1 131 . 1 . 1 22 22 C H6 H 1 7.6170 0.0000 . 1 . . . . . 41 C H6 . 51348 1 132 . 1 . 1 22 22 C C6 C 13 140.8920 0.0000 . 1 . . . . . 41 C C6 . 51348 1 133 . 1 . 1 23 23 C H1' H 1 5.5189 0.0000 . 1 . . . . . 42 C H1' . 51348 1 134 . 1 . 1 23 23 C H2' H 1 4.2576 0.0000 . 1 . . . . . 42 C H2' . 51348 1 135 . 1 . 1 23 23 C H3' H 1 4.5078 0.0000 . 1 . . . . . 42 C H3' . 51348 1 136 . 1 . 1 23 23 C H5 H 1 5.4221 0.0000 . 1 . . . . . 42 C H5 . 51348 1 137 . 1 . 1 23 23 C H6 H 1 7.8334 0.0000 . 1 . . . . . 42 C H6 . 51348 1 138 . 1 . 1 23 23 C C6 C 13 141.7496 0.0000 . 1 . . . . . 42 C C6 . 51348 1 139 . 1 . 1 24 24 C H1' H 1 5.7855 0.0000 . 1 . . . . . 43 C H1' . 51348 1 140 . 1 . 1 24 24 C H2' H 1 4.0256 0.0000 . 1 . . . . . 43 C H2' . 51348 1 141 . 1 . 1 24 24 C H3' H 1 4.1889 0.0000 . 1 . . . . . 43 C H3' . 51348 1 142 . 1 . 1 24 24 C H5 H 1 5.4971 0.0000 . 1 . . . . . 43 C H5 . 51348 1 143 . 1 . 1 24 24 C H6 H 1 7.7343 0.0000 . 1 . . . . . 43 C H6 . 51348 1 144 . 1 . 1 24 24 C C6 C 13 141.9613 0.0000 . 1 . . . . . 43 C C6 . 51348 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 51348 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name NPSL2_Frag1 _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 4 '2D 1H-1H NOESY' . . . 51348 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 . . 51348 2 2 $software_2 . . 51348 2 3 $software_3 . . 51348 2 4 $software_4 . . 51348 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 5.8599 0.0000 . 1 . . . . . 1 G H1' . 51348 2 2 . 1 . 1 1 1 G H2' H 1 4.9581 0.0000 . 1 . . . . . 1 G H2' . 51348 2 3 . 1 . 1 1 1 G H3' H 1 4.7235 0.0000 . 1 . . . . . 1 G H3' . 51348 2 4 . 1 . 1 1 1 G H8 H 1 8.1817 0.0000 . 1 . . . . . 1 G H8 . 51348 2 5 . 1 . 1 2 2 G H1' H 1 5.9815 0.0000 . 1 . . . . . 2 G H1' . 51348 2 6 . 1 . 1 2 2 G H2' H 1 4.7608 0.0000 . 1 . . . . . 2 G H2' . 51348 2 7 . 1 . 1 2 2 G H3' H 1 4.5813 0.0000 . 1 . . . . . 2 G H3' . 51348 2 8 . 1 . 1 2 2 G H8 H 1 7.5791 0.0000 . 1 . . . . . 2 G H8 . 51348 2 9 . 1 . 1 3 3 G H1' H 1 5.8249 0.0000 . 1 . . . . . 3 G H1' . 51348 2 10 . 1 . 1 3 3 G H2' H 1 4.5271 0.0000 . 1 . . . . . 3 G H2' . 51348 2 11 . 1 . 1 3 3 G H3' H 1 4.4661 0.0000 . 1 . . . . . 3 G H3' . 51348 2 12 . 1 . 1 3 3 G H8 H 1 7.2168 0.0000 . 1 . . . . . 3 G H8 . 51348 2 13 . 1 . 1 4 4 U H1' H 1 5.5886 0.0000 . 1 . . . . . 4 U H1' . 51348 2 14 . 1 . 1 4 4 U H2' H 1 4.7742 0.0000 . 1 . . . . . 4 U H2' . 51348 2 15 . 1 . 1 4 4 U H3' H 1 4.5396 0.0000 . 1 . . . . . 4 U H3' . 51348 2 16 . 1 . 1 4 4 U H5 H 1 5.1197 0.0000 . 1 . . . . . 4 U H5 . 51348 2 17 . 1 . 1 4 4 U H6 H 1 7.7066 0.0000 . 1 . . . . . 4 U H6 . 51348 2 18 . 1 . 1 5 5 G H1' H 1 5.7842 0.0000 . 1 . . . . . 5 G H1' . 51348 2 19 . 1 . 1 5 5 G H2' H 1 4.5277 0.0000 . 1 . . . . . 5 G H2' . 51348 2 20 . 1 . 1 5 5 G H3' H 1 4.5277 0.0000 . 1 . . . . . 5 G H3' . 51348 2 21 . 1 . 1 5 5 G H8 H 1 7.7151 0.0000 . 1 . . . . . 5 G H8 . 51348 2 22 . 1 . 1 6 6 U H1' H 1 5.4615 0.0000 . 1 . . . . . 6 U H1' . 51348 2 23 . 1 . 1 6 6 U H2' H 1 4.6027 0.0000 . 1 . . . . . 6 U H2' . 51348 2 24 . 1 . 1 6 6 U H3' H 1 4.6027 0.0000 . 1 . . . . . 6 U H3' . 51348 2 25 . 1 . 1 6 6 U H5 H 1 5.1412 0.0000 . 1 . . . . . 6 U H5 . 51348 2 26 . 1 . 1 6 6 U H6 H 1 7.7934 0.0000 . 1 . . . . . 6 U H6 . 51348 2 27 . 1 . 1 7 7 A H1' H 1 5.9888 0.0000 . 1 . . . . . 7 A H1' . 51348 2 28 . 1 . 1 7 7 A H2 H 1 6.6684 0.0000 . 1 . . . . . 7 A H2 . 51348 2 29 . 1 . 1 7 7 A H2' H 1 4.6973 0.0000 . 1 . . . . . 7 A H2' . 51348 2 30 . 1 . 1 7 7 A H3' H 1 4.7525 0.0000 . 1 . . . . . 7 A H3' . 51348 2 31 . 1 . 1 7 7 A H8 H 1 8.1084 0.0000 . 1 . . . . . 7 A H8 . 51348 2 32 . 1 . 1 8 8 G H1' H 1 5.4997 0.0000 . 1 . . . . . 8 G H1' . 51348 2 33 . 1 . 1 8 8 G H2' H 1 4.5455 0.0000 . 1 . . . . . 8 G H2' . 51348 2 34 . 1 . 1 8 8 G H3' H 1 4.4627 0.0000 . 1 . . . . . 8 G H3' . 51348 2 35 . 1 . 1 8 8 G H8 H 1 7.1250 0.0000 . 1 . . . . . 8 G H8 . 51348 2 36 . 1 . 1 9 9 A H1' H 1 5.8700 0.0000 . 1 . . . . . 9 A H1' . 51348 2 37 . 1 . 1 9 9 A H2 H 1 7.0692 0.0000 . 1 . . . . . 9 A H2 . 51348 2 38 . 1 . 1 9 9 A H8 H 1 7.6566 0.0000 . 1 . . . . . 9 A H8 . 51348 2 39 . 1 . 1 10 10 A H1' H 1 5.9779 0.0000 . 1 . . . . . 10 A H1' . 51348 2 40 . 1 . 1 10 10 A H2 H 1 7.7628 0.0000 . 1 . . . . . 10 A H2 . 51348 2 41 . 1 . 1 10 10 A H2' H 1 4.4903 0.0000 . 1 . . . . . 10 A H2' . 51348 2 42 . 1 . 1 10 10 A H3' H 1 4.5192 0.0000 . 1 . . . . . 10 A H3' . 51348 2 43 . 1 . 1 10 10 A H8 H 1 7.5799 0.0000 . 1 . . . . . 10 A H8 . 51348 2 44 . 1 . 1 11 11 G H1' H 1 5.5645 0.0000 . 1 . . . . . 101 G H1' . 51348 2 45 . 1 . 1 11 11 G H2' H 1 4.3090 0.0000 . 1 . . . . . 101 G H2' . 51348 2 46 . 1 . 1 11 11 G H3' H 1 4.6701 0.0000 . 1 . . . . . 101 G H3' . 51348 2 47 . 1 . 1 11 11 G H8 H 1 6.9672 0.0000 . 1 . . . . . 101 G H8 . 51348 2 48 . 1 . 1 12 12 A H1' H 1 5.6963 0.0000 . 1 . . . . . 102 A H1' . 51348 2 49 . 1 . 1 12 12 A H2 H 1 7.8818 0.0000 . 1 . . . . . 102 A H2 . 51348 2 50 . 1 . 1 12 12 A H2' H 1 4.5086 0.0000 . 1 . . . . . 102 A H2' . 51348 2 51 . 1 . 1 12 12 A H8 H 1 8.2372 0.0000 . 1 . . . . . 102 A H8 . 51348 2 52 . 1 . 1 13 13 G H1' H 1 5.1655 0.0000 . 1 . . . . . 103 G H1' . 51348 2 53 . 1 . 1 13 13 G H2' H 1 4.3745 0.0000 . 1 . . . . . 103 G H2' . 51348 2 54 . 1 . 1 13 13 G H3' H 1 4.5360 0.0000 . 1 . . . . . 103 G H3' . 51348 2 55 . 1 . 1 13 13 G H8 H 1 7.5251 0.0000 . 1 . . . . . 103 G H8 . 51348 2 56 . 1 . 1 14 14 A H1' H 1 6.1539 0.0000 . 1 . . . . . 104 A H1' . 51348 2 57 . 1 . 1 14 14 A H2 H 1 8.2928 0.0000 . 1 . . . . . 104 A H2 . 51348 2 58 . 1 . 1 14 14 A H2' H 1 4.5355 0.0000 . 1 . . . . . 104 A H2' . 51348 2 59 . 1 . 1 14 14 A H3' H 1 4.8918 0.0000 . 1 . . . . . 104 A H3' . 51348 2 60 . 1 . 1 14 14 A H8 H 1 8.1598 0.0000 . 1 . . . . . 104 A H8 . 51348 2 61 . 1 . 1 15 15 U H1' H 1 4.4578 0.0000 . 1 . . . . . 34 U H1' . 51348 2 62 . 1 . 1 15 15 U H2' H 1 4.2673 0.0000 . 1 . . . . . 34 U H2' . 51348 2 63 . 1 . 1 15 15 U H3' H 1 4.4532 0.0000 . 1 . . . . . 34 U H3' . 51348 2 64 . 1 . 1 15 15 U H5 H 1 5.9778 0.0000 . 1 . . . . . 34 U H5 . 51348 2 65 . 1 . 1 15 15 U H6 H 1 8.1197 0.0000 . 1 . . . . . 34 U H6 . 51348 2 66 . 1 . 1 16 16 U H1' H 1 5.6745 0.0000 . 1 . . . . . 35 U H1' . 51348 2 67 . 1 . 1 16 16 U H2' H 1 4.4349 0.0000 . 1 . . . . . 35 U H2' . 51348 2 68 . 1 . 1 16 16 U H3' H 1 4.5264 0.0000 . 1 . . . . . 35 U H3' . 51348 2 69 . 1 . 1 16 16 U H5 H 1 5.6780 0.0000 . 1 . . . . . 35 U H5 . 51348 2 70 . 1 . 1 16 16 U H6 H 1 8.0096 0.0000 . 1 . . . . . 35 U H6 . 51348 2 71 . 1 . 1 17 17 C H1' H 1 5.4710 0.0000 . 1 . . . . . 36 C H1' . 51348 2 72 . 1 . 1 17 17 C H2' H 1 4.3007 0.0000 . 1 . . . . . 36 C H2' . 51348 2 73 . 1 . 1 17 17 C H5 H 1 5.6783 0.0000 . 1 . . . . . 36 C H5 . 51348 2 74 . 1 . 1 17 17 C H6 H 1 7.8809 0.0000 . 1 . . . . . 36 C H6 . 51348 2 75 . 1 . 1 18 18 U H1' H 1 5.4125 0.0000 . 1 . . . . . 37 U H1' . 51348 2 76 . 1 . 1 18 18 U H3' H 1 4.6213 0.0000 . 1 . . . . . 37 U H3' . 51348 2 77 . 1 . 1 18 18 U H5 H 1 5.4216 0.0000 . 1 . . . . . 37 U H5 . 51348 2 78 . 1 . 1 18 18 U H6 H 1 7.8770 0.0000 . 1 . . . . . 37 U H6 . 51348 2 79 . 1 . 1 19 19 A H1' H 1 5.9776 0.0000 . 1 . . . . . 38 A H1' . 51348 2 80 . 1 . 1 19 19 A H2 H 1 7.0207 0.0000 . 1 . . . . . 38 A H2 . 51348 2 81 . 1 . 1 19 19 A H2' H 1 4.6259 0.0000 . 1 . . . . . 38 A H2' . 51348 2 82 . 1 . 1 19 19 A H3' H 1 4.7438 0.0000 . 1 . . . . . 38 A H3' . 51348 2 83 . 1 . 1 19 19 A H8 H 1 8.2336 0.0000 . 1 . . . . . 38 A H8 . 51348 2 84 . 1 . 1 20 20 C H1' H 1 5.3394 0.0000 . 1 . . . . . 39 C H1' . 51348 2 85 . 1 . 1 20 20 C H2' H 1 4.2785 0.0000 . 1 . . . . . 39 C H2' . 51348 2 86 . 1 . 1 20 20 C H3' H 1 4.4101 0.0000 . 1 . . . . . 39 C H3' . 51348 2 87 . 1 . 1 20 20 C H5 H 1 5.2193 0.0000 . 1 . . . . . 39 C H5 . 51348 2 88 . 1 . 1 20 20 C H6 H 1 7.6044 0.0000 . 1 . . . . . 39 C H6 . 51348 2 89 . 1 . 1 21 21 A H1' H 1 5.9202 0.0000 . 1 . . . . . 40 A H1' . 51348 2 90 . 1 . 1 21 21 A H2 H 1 7.4412 0.0000 . 1 . . . . . 40 A H2 . 51348 2 91 . 1 . 1 21 21 A H2' H 1 4.5271 0.0000 . 1 . . . . . 40 A H2' . 51348 2 92 . 1 . 1 21 21 A H3' H 1 4.7116 0.0000 . 1 . . . . . 40 A H3' . 51348 2 93 . 1 . 1 21 21 A H8 H 1 8.0822 0.0000 . 1 . . . . . 40 A H8 . 51348 2 94 . 1 . 1 22 22 C H1' H 1 5.4367 0.0000 . 1 . . . . . 41 C H1' . 51348 2 95 . 1 . 1 22 22 C H2' H 1 4.2257 0.0000 . 1 . . . . . 41 C H2' . 51348 2 96 . 1 . 1 22 22 C H3' H 1 4.4052 0.0000 . 1 . . . . . 41 C H3' . 51348 2 97 . 1 . 1 22 22 C H5 H 1 5.2197 0.0000 . 1 . . . . . 41 C H5 . 51348 2 98 . 1 . 1 22 22 C H6 H 1 7.6059 0.0000 . 1 . . . . . 41 C H6 . 51348 2 99 . 1 . 1 23 23 C H1' H 1 5.5250 0.0000 . 1 . . . . . 42 C H1' . 51348 2 100 . 1 . 1 23 23 C H2' H 1 4.2765 0.0000 . 1 . . . . . 42 C H2' . 51348 2 101 . 1 . 1 23 23 C H3' H 1 4.3984 0.0000 . 1 . . . . . 42 C H3' . 51348 2 102 . 1 . 1 23 23 C H5 H 1 5.4326 0.0000 . 1 . . . . . 42 C H5 . 51348 2 103 . 1 . 1 23 23 C H6 H 1 7.8086 0.0000 . 1 . . . . . 42 C H6 . 51348 2 104 . 1 . 1 24 24 C H1' H 1 5.7713 0.0000 . 1 . . . . . 43 C H1' . 51348 2 105 . 1 . 1 24 24 C H2' H 1 4.0298 0.0000 . 1 . . . . . 43 C H2' . 51348 2 106 . 1 . 1 24 24 C H3' H 1 4.1935 0.0000 . 1 . . . . . 43 C H3' . 51348 2 107 . 1 . 1 24 24 C H5 H 1 5.4949 0.0000 . 1 . . . . . 43 C H5 . 51348 2 108 . 1 . 1 24 24 C H6 H 1 7.7012 0.0000 . 1 . . . . . 43 C H6 . 51348 2 stop_ save_