################################### # 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_assignments_culbicin_dimer _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_culbicin_dimer _Assigned_chem_shift_list.Entry_ID 16819 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 2 '3D 1H-15N NOESY' . . . 16819 1 3 '3D 1H-15N TOCSY' . . . 16819 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 8 8 LEU H H 1 7.735 . . 1 . . . . 8 LEU HN . 16819 1 2 . 1 1 8 8 LEU HA H 1 4.121 . . 1 . . . . 8 LEU HA . 16819 1 3 . 1 1 8 8 LEU HB2 H 1 1.694 . . 2 . . . . 8 LEU HB1 . 16819 1 4 . 1 1 8 8 LEU HG H 1 1.492 . . 1 . . . . 8 LEU HG . 16819 1 5 . 1 1 8 8 LEU N N 15 117.542 . . 1 . . . . 8 LEU N . 16819 1 6 . 1 1 9 9 LYS H H 1 7.831 . . 1 . . . . 9 LYS HN . 16819 1 7 . 1 1 9 9 LYS HA H 1 4.078 . . 1 . . . . 9 LYS HA . 16819 1 8 . 1 1 9 9 LYS HB2 H 1 2.161 . . 2 . . . . 9 LYS HB1 . 16819 1 9 . 1 1 9 9 LYS HB3 H 1 1.880 . . 2 . . . . 9 LYS HB2 . 16819 1 10 . 1 1 9 9 LYS HG2 H 1 1.697 . . 2 . . . . 9 LYS HG1 . 16819 1 11 . 1 1 9 9 LYS N N 15 123.335 . . 1 . . . . 9 LYS N . 16819 1 12 . 1 1 10 10 LYS H H 1 8.627 . . 1 . . . . 10 LYS HN . 16819 1 13 . 1 1 10 10 LYS HA H 1 3.657 . . 1 . . . . 10 LYS HA . 16819 1 14 . 1 1 10 10 LYS HB2 H 1 2.022 . . 2 . . . . 10 LYS HB1 . 16819 1 15 . 1 1 10 10 LYS N N 15 121.522 . . 1 . . . . 10 LYS N . 16819 1 16 . 1 1 11 11 VAL H H 1 7.491 . . 1 . . . . 11 VAL HN . 16819 1 17 . 1 1 11 11 VAL HA H 1 3.733 . . 1 . . . . 11 VAL HA . 16819 1 18 . 1 1 11 11 VAL HB H 1 2.157 . . 1 . . . . 11 VAL HB . 16819 1 19 . 1 1 11 11 VAL HG11 H 1 1.128 . . 4 . . . . 11 VAL HG11 . 16819 1 20 . 1 1 11 11 VAL HG12 H 1 0.972 . . 4 . . . . 11 VAL HG12 . 16819 1 21 . 1 1 11 11 VAL HG13 H 1 0.972 . . 4 . . . . 11 VAL HG12 . 16819 1 22 . 1 1 11 11 VAL N N 15 117.576 . . 1 . . . . 11 VAL N . 16819 1 23 . 1 1 12 12 ALA H H 1 7.898 . . 1 . . . . 12 ALA HN . 16819 1 24 . 1 1 12 12 ALA HA H 1 4.131 . . 1 . . . . 12 ALA HA . 16819 1 25 . 1 1 12 12 ALA HB1 H 1 1.586 . . 1 . . . . 12 ALA HB1 . 16819 1 26 . 1 1 12 12 ALA HB2 H 1 1.586 . . 1 . . . . 12 ALA HB1 . 16819 1 27 . 1 1 12 12 ALA HB3 H 1 1.586 . . 1 . . . . 12 ALA HB1 . 16819 1 28 . 1 1 12 12 ALA N N 15 123.018 . . 1 . . . . 12 ALA N . 16819 1 29 . 1 1 13 13 CYS H H 1 8.394 . . 1 . . . . 13 CYS HN . 16819 1 30 . 1 1 13 13 CYS HA H 1 4.587 . . 1 . . . . 13 CYS HA . 16819 1 31 . 1 1 13 13 CYS HB2 H 1 3.057 . . 2 . . . . 13 CYS HB1 . 16819 1 32 . 1 1 13 13 CYS HB3 H 1 3.009 . . 2 . . . . 13 CYS HB2 . 16819 1 33 . 1 1 13 13 CYS N N 15 113.951 . . 1 . . . . 13 CYS N . 16819 1 34 . 1 1 14 14 ALA H H 1 7.549 . . 1 . . . . 14 ALA HN . 16819 1 35 . 1 1 14 14 ALA HA H 1 4.027 . . 1 . . . . 14 ALA HA . 16819 1 36 . 1 1 14 14 ALA HB1 H 1 1.576 . . 1 . . . . 14 ALA HB1 . 16819 1 37 . 1 1 14 14 ALA HB2 H 1 1.576 . . 1 . . . . 14 ALA HB1 . 16819 1 38 . 1 1 14 14 ALA HB3 H 1 1.576 . . 1 . . . . 14 ALA HB1 . 16819 1 39 . 1 1 14 14 ALA N N 15 124.346 . . 1 . . . . 14 ALA N . 16819 1 40 . 1 1 15 15 ALA HA H 1 4.203 . . 1 . . . . 15 ALA HA . 16819 1 41 . 1 1 16 16 ALA H H 1 8.570 . . 1 . . . . 16 ALA HN . 16819 1 42 . 1 1 16 16 ALA HA H 1 4.075 . . 1 . . . . 16 ALA HA . 16819 1 43 . 1 1 16 16 ALA HB1 H 1 1.407 . . 1 . . . . 16 ALA HB1 . 16819 1 44 . 1 1 16 16 ALA HB2 H 1 1.407 . . 1 . . . . 16 ALA HB1 . 16819 1 45 . 1 1 16 16 ALA HB3 H 1 1.407 . . 1 . . . . 16 ALA HB1 . 16819 1 46 . 1 1 16 16 ALA N N 15 124.554 . . 1 . . . . 16 ALA N . 16819 1 47 . 1 1 17 17 ILE H H 1 8.475 . . 1 . . . . 17 ILE HN . 16819 1 48 . 1 1 17 17 ILE HA H 1 3.416 . . 1 . . . . 17 ILE HA . 16819 1 49 . 1 1 17 17 ILE HB H 1 1.869 . . 1 . . . . 17 ILE HB . 16819 1 50 . 1 1 17 17 ILE HD11 H 1 0.848 . . 1 . . . . 17 ILE HD11 . 16819 1 51 . 1 1 17 17 ILE HD12 H 1 0.848 . . 1 . . . . 17 ILE HD11 . 16819 1 52 . 1 1 17 17 ILE HD13 H 1 0.848 . . 1 . . . . 17 ILE HD11 . 16819 1 53 . 1 1 17 17 ILE HG12 H 1 1.071 . . 9 . . . . 17 ILE HG11 . 16819 1 54 . 1 1 17 17 ILE HG21 H 1 0.948 . . 4 . . . . 17 ILE HG21 . 16819 1 55 . 1 1 17 17 ILE HG22 H 1 0.948 . . 4 . . . . 17 ILE HG21 . 16819 1 56 . 1 1 17 17 ILE HG23 H 1 0.948 . . 4 . . . . 17 ILE HG21 . 16819 1 57 . 1 1 17 17 ILE N N 15 119.462 . . 1 . . . . 17 ILE N . 16819 1 58 . 1 1 18 18 ALA H H 1 8.288 . . 1 . . . . 18 ALA HN . 16819 1 59 . 1 1 18 18 ALA HA H 1 4.069 . . 1 . . . . 18 ALA HA . 16819 1 60 . 1 1 18 18 ALA HB1 H 1 1.504 . . 1 . . . . 18 ALA HB1 . 16819 1 61 . 1 1 18 18 ALA HB2 H 1 1.504 . . 1 . . . . 18 ALA HB1 . 16819 1 62 . 1 1 18 18 ALA HB3 H 1 1.504 . . 1 . . . . 18 ALA HB1 . 16819 1 63 . 1 1 18 18 ALA N N 15 121.295 . . 1 . . . . 18 ALA N . 16819 1 64 . 1 1 19 19 GLY H H 1 8.399 . . 1 . . . . 19 GLY HN . 16819 1 65 . 1 1 19 19 GLY HA2 H 1 3.883 . . 2 . . . . 19 GLY HA1 . 16819 1 66 . 1 1 19 19 GLY N N 15 105.669 . . 1 . . . . 19 GLY N . 16819 1 67 . 1 1 20 20 ALA H H 1 7.972 . . 1 . . . . 20 ALA HN . 16819 1 68 . 1 1 20 20 ALA HA H 1 4.081 . . 1 . . . . 20 ALA HA . 16819 1 69 . 1 1 20 20 ALA HB1 H 1 1.404 . . 1 . . . . 20 ALA HB1 . 16819 1 70 . 1 1 20 20 ALA HB2 H 1 1.404 . . 1 . . . . 20 ALA HB1 . 16819 1 71 . 1 1 20 20 ALA HB3 H 1 1.404 . . 1 . . . . 20 ALA HB1 . 16819 1 72 . 1 1 20 20 ALA N N 15 127.175 . . 1 . . . . 20 ALA N . 16819 1 73 . 1 1 21 21 VAL H H 1 8.435 . . 1 . . . . 21 VAL HN . 16819 1 74 . 1 1 21 21 VAL HA H 1 3.365 . . 1 . . . . 21 VAL HA . 16819 1 75 . 1 1 21 21 VAL HB H 1 1.978 . . 1 . . . . 21 VAL HB . 16819 1 76 . 1 1 21 21 VAL HG11 H 1 0.944 . . 4 . . . . 21 VAL HG11 . 16819 1 77 . 1 1 21 21 VAL HG12 H 1 0.716 . . 4 . . . . 21 VAL HG12 . 16819 1 78 . 1 1 21 21 VAL HG13 H 1 0.716 . . 4 . . . . 21 VAL HG12 . 16819 1 79 . 1 1 21 21 VAL N N 15 118.978 . . 1 . . . . 21 VAL N . 16819 1 80 . 1 1 22 22 ALA H H 1 7.835 . . 1 . . . . 22 ALA HN . 16819 1 81 . 1 1 22 22 ALA HA H 1 4.074 . . 1 . . . . 22 ALA HA . 16819 1 82 . 1 1 22 22 ALA HB1 H 1 1.456 . . 1 . . . . 22 ALA HB1 . 16819 1 83 . 1 1 22 22 ALA HB2 H 1 1.456 . . 1 . . . . 22 ALA HB1 . 16819 1 84 . 1 1 22 22 ALA HB3 H 1 1.456 . . 1 . . . . 22 ALA HB1 . 16819 1 85 . 1 1 22 22 ALA N N 15 121.005 . . 1 . . . . 22 ALA N . 16819 1 86 . 1 1 23 23 ALA H H 1 8.062 . . 1 . . . . 23 ALA HN . 16819 1 87 . 1 1 23 23 ALA HA H 1 4.063 . . 1 . . . . 23 ALA HA . 16819 1 88 . 1 1 23 23 ALA HB1 H 1 1.498 . . 1 . . . . 23 ALA HB1 . 16819 1 89 . 1 1 23 23 ALA HB2 H 1 1.498 . . 1 . . . . 23 ALA HB1 . 16819 1 90 . 1 1 23 23 ALA HB3 H 1 1.498 . . 1 . . . . 23 ALA HB1 . 16819 1 91 . 1 1 23 23 ALA N N 15 121.200 . . 1 . . . . 23 ALA N . 16819 1 92 . 1 1 24 24 CYS H H 1 8.045 . . 1 . . . . 24 CYS HN . 16819 1 93 . 1 1 24 24 CYS HA H 1 4.488 . . 1 . . . . 24 CYS HA . 16819 1 94 . 1 1 24 24 CYS HB2 H 1 3.310 . . 2 . . . . 24 CYS HB1 . 16819 1 95 . 1 1 24 24 CYS HB3 H 1 2.970 . . 2 . . . . 24 CYS HB2 . 16819 1 96 . 1 1 24 24 CYS N N 15 114.529 . . 1 . . . . 24 CYS N . 16819 1 97 . 1 1 25 25 GLY H H 1 7.916 . . 1 . . . . 25 GLY HN . 16819 1 98 . 1 1 25 25 GLY HA2 H 1 4.075 . . 2 . . . . 25 GLY HA1 . 16819 1 99 . 1 1 25 25 GLY HA3 H 1 3.831 . . 2 . . . . 25 GLY HA2 . 16819 1 100 . 1 1 25 25 GLY N N 15 109.695 . . 1 . . . . 25 GLY N . 16819 1 101 . 1 1 26 26 GLY H H 1 8.056 . . 1 . . . . 26 GLY HN . 16819 1 102 . 1 1 26 26 GLY HA2 H 1 4.337 . . 2 . . . . 26 GLY HA1 . 16819 1 103 . 1 1 26 26 GLY HA3 H 1 3.604 . . 2 . . . . 26 GLY HA2 . 16819 1 104 . 1 1 26 26 GLY N N 15 107.481 . . 1 . . . . 26 GLY N . 16819 1 105 . 1 1 27 27 ILE H H 1 8.342 . . 1 . . . . 27 ILE HN . 16819 1 106 . 1 1 27 27 ILE HA H 1 3.745 . . 1 . . . . 27 ILE HA . 16819 1 107 . 1 1 27 27 ILE HB H 1 2.031 . . 1 . . . . 27 ILE HB . 16819 1 108 . 1 1 27 27 ILE HD11 H 1 0.678 . . 1 . . . . 27 ILE HD11 . 16819 1 109 . 1 1 27 27 ILE HD12 H 1 0.678 . . 1 . . . . 27 ILE HD11 . 16819 1 110 . 1 1 27 27 ILE HD13 H 1 0.678 . . 1 . . . . 27 ILE HD11 . 16819 1 111 . 1 1 27 27 ILE HG12 H 1 1.508 . . 9 . . . . 27 ILE HG11 . 16819 1 112 . 1 1 27 27 ILE HG13 H 1 1.265 . . 9 . . . . 27 ILE HG12 . 16819 1 113 . 1 1 27 27 ILE N N 15 117.952 . . 1 . . . . 27 ILE N . 16819 1 114 . 1 1 28 28 ASP H H 1 7.060 . . 1 . . . . 28 ASP HN . 16819 1 115 . 1 1 28 28 ASP HB2 H 1 2.572 . . 2 . . . . 28 ASP HB1 . 16819 1 116 . 1 1 28 28 ASP N N 15 128.285 . . 1 . . . . 28 ASP N . 16819 1 117 . 1 1 29 29 LEU H H 1 8.907 . . 1 . . . . 29 LEU HN . 16819 1 118 . 1 1 29 29 LEU HA H 1 4.002 . . 1 . . . . 29 LEU HA . 16819 1 119 . 1 1 29 29 LEU HB2 H 1 2.061 . . 2 . . . . 29 LEU HB1 . 16819 1 120 . 1 1 29 29 LEU HD11 H 1 0.965 . . 4 . . . . 29 LEU HD11 . 16819 1 121 . 1 1 29 29 LEU HD12 H 1 0.965 . . 4 . . . . 29 LEU HD11 . 16819 1 122 . 1 1 29 29 LEU HD13 H 1 0.965 . . 4 . . . . 29 LEU HD11 . 16819 1 123 . 1 1 29 29 LEU HG H 1 1.636 . . 1 . . . . 29 LEU HG . 16819 1 124 . 1 1 29 29 LEU N N 15 124.546 . . 1 . . . . 29 LEU N . 16819 1 125 . 1 1 31 31 CYS H H 1 7.340 . . 1 . . . . 31 CYS HN . 16819 1 126 . 1 1 31 31 CYS HA H 1 4.167 . . 1 . . . . 31 CYS HA . 16819 1 127 . 1 1 31 31 CYS HB2 H 1 3.094 . . 2 . . . . 31 CYS HB1 . 16819 1 128 . 1 1 31 31 CYS N N 15 117.630 . . 1 . . . . 31 CYS N . 16819 1 129 . 1 1 32 32 VAL H H 1 8.718 . . 1 . . . . 32 VAL HN . 16819 1 130 . 1 1 32 32 VAL HA H 1 3.178 . . 1 . . . . 32 VAL HA . 16819 1 131 . 1 1 32 32 VAL HB H 1 1.499 . . 1 . . . . 32 VAL HB . 16819 1 132 . 1 1 32 32 VAL HG11 H 1 0.698 . . 4 . . . . 32 VAL HG11 . 16819 1 133 . 1 1 32 32 VAL HG12 H 1 -0.423 . . 4 . . . . 32 VAL HG12 . 16819 1 134 . 1 1 32 32 VAL HG13 H 1 -0.423 . . 4 . . . . 32 VAL HG12 . 16819 1 135 . 1 1 32 32 VAL HG21 H 1 -0.367 . . 4 . . . . 32 VAL HG21 . 16819 1 136 . 1 1 32 32 VAL HG22 H 1 -0.367 . . 4 . . . . 32 VAL HG21 . 16819 1 137 . 1 1 32 32 VAL HG23 H 1 -0.367 . . 4 . . . . 32 VAL HG21 . 16819 1 138 . 1 1 32 32 VAL N N 15 124.340 . . 1 . . . . 32 VAL N . 16819 1 139 . 1 1 33 33 LEU H H 1 8.512 . . 1 . . . . 33 LEU HN . 16819 1 140 . 1 1 33 33 LEU HA H 1 3.692 . . 1 . . . . 33 LEU HA . 16819 1 141 . 1 1 33 33 LEU HB2 H 1 1.732 . . 2 . . . . 33 LEU HB1 . 16819 1 142 . 1 1 33 33 LEU HD11 H 1 0.942 . . 4 . . . . 33 LEU HD11 . 16819 1 143 . 1 1 33 33 LEU HD12 H 1 0.790 . . 4 . . . . 33 LEU HD12 . 16819 1 144 . 1 1 33 33 LEU HD13 H 1 0.790 . . 4 . . . . 33 LEU HD12 . 16819 1 145 . 1 1 33 33 LEU HG H 1 1.287 . . 1 . . . . 33 LEU HG . 16819 1 146 . 1 1 33 33 LEU N N 15 117.743 . . 1 . . . . 33 LEU N . 16819 1 147 . 1 1 34 34 ALA H H 1 7.508 . . 1 . . . . 34 ALA HN . 16819 1 148 . 1 1 34 34 ALA HA H 1 4.067 . . 1 . . . . 34 ALA HA . 16819 1 149 . 1 1 34 34 ALA HB1 H 1 1.447 . . 1 . . . . 34 ALA HB1 . 16819 1 150 . 1 1 34 34 ALA HB2 H 1 1.447 . . 1 . . . . 34 ALA HB1 . 16819 1 151 . 1 1 34 34 ALA HB3 H 1 1.447 . . 1 . . . . 34 ALA HB1 . 16819 1 152 . 1 1 34 34 ALA N N 15 120.707 . . 1 . . . . 34 ALA N . 16819 1 153 . 1 1 35 35 ALA H H 1 7.765 . . 1 . . . . 35 ALA HN . 16819 1 154 . 1 1 35 35 ALA HA H 1 4.174 . . 1 . . . . 35 ALA HA . 16819 1 155 . 1 1 35 35 ALA HB1 H 1 1.511 . . 1 . . . . 35 ALA HB1 . 16819 1 156 . 1 1 35 35 ALA HB2 H 1 1.511 . . 1 . . . . 35 ALA HB1 . 16819 1 157 . 1 1 35 35 ALA HB3 H 1 1.511 . . 1 . . . . 35 ALA HB1 . 16819 1 158 . 1 1 35 35 ALA N N 15 121.539 . . 1 . . . . 35 ALA N . 16819 1 159 . 1 1 36 36 LEU H H 1 8.322 . . 1 . . . . 36 LEU HN . 16819 1 160 . 1 1 36 36 LEU HA H 1 4.207 . . 1 . . . . 36 LEU HA . 16819 1 161 . 1 1 36 36 LEU HB2 H 1 1.657 . . 2 . . . . 36 LEU HB1 . 16819 1 162 . 1 1 36 36 LEU HD11 H 1 0.564 . . 4 . . . . 36 LEU HD11 . 16819 1 163 . 1 1 36 36 LEU HD12 H 1 0.430 . . 4 . . . . 36 LEU HD12 . 16819 1 164 . 1 1 36 36 LEU HD13 H 1 0.430 . . 4 . . . . 36 LEU HD12 . 16819 1 165 . 1 1 36 36 LEU N N 15 116.961 . . 1 . . . . 36 LEU N . 16819 1 166 . 1 1 37 37 LYS H H 1 7.335 . . 1 . . . . 37 LYS HN . 16819 1 167 . 1 1 37 37 LYS HA H 1 3.988 . . 1 . . . . 37 LYS HA . 16819 1 168 . 1 1 37 37 LYS HB2 H 1 1.924 . . 2 . . . . 37 LYS HB1 . 16819 1 169 . 1 1 37 37 LYS HB3 H 1 1.818 . . 2 . . . . 37 LYS HB2 . 16819 1 170 . 1 1 37 37 LYS HG2 H 1 1.611 . . 2 . . . . 37 LYS HG1 . 16819 1 171 . 1 1 37 37 LYS HG3 H 1 1.500 . . 2 . . . . 37 LYS HG2 . 16819 1 172 . 1 1 37 37 LYS N N 15 121.909 . . 1 . . . . 37 LYS N . 16819 1 173 . 1 1 42 42 CYS HA H 1 4.790 . . 1 . . . . 42 CYS HA . 16819 1 174 . 1 1 42 42 CYS HB2 H 1 3.047 . . 2 . . . . 42 CYS HB1 . 16819 1 175 . 1 1 42 42 CYS HB3 H 1 2.973 . . 2 . . . . 42 CYS HB2 . 16819 1 176 . 1 1 43 43 ALA HA H 1 3.985 . . 1 . . . . 43 ALA HA . 16819 1 177 . 1 1 44 44 SER HB2 H 1 3.869 . . 2 . . . . 44 SER HB1 . 16819 1 178 . 1 1 45 45 CYS H H 1 7.104 . . 1 . . . . 45 CYS HN . 16819 1 179 . 1 1 45 45 CYS HA H 1 4.341 . . 1 . . . . 45 CYS HA . 16819 1 180 . 1 1 45 45 CYS HB2 H 1 3.133 . . 2 . . . . 45 CYS HB1 . 16819 1 181 . 1 1 45 45 CYS N N 15 118.951 . . 1 . . . . 45 CYS N . 16819 1 182 . 1 1 46 46 PHE H H 1 7.984 . . 1 . . . . 46 PHE HN . 16819 1 183 . 1 1 46 46 PHE HA H 1 4.599 . . 1 . . . . 46 PHE HA . 16819 1 184 . 1 1 46 46 PHE HB2 H 1 2.958 . . 2 . . . . 46 PHE HB1 . 16819 1 185 . 1 1 46 46 PHE HD1 H 1 6.646 . . 3 . . . . 46 PHE HD1 . 16819 1 186 . 1 1 46 46 PHE HE1 H 1 7.222 . . 3 . . . . 46 PHE HE1 . 16819 1 187 . 1 1 46 46 PHE HZ H 1 6.978 . . 1 . . . . 46 PHE HZ . 16819 1 188 . 1 1 46 46 PHE N N 15 120.196 . . 1 . . . . 46 PHE N . 16819 1 189 . 1 1 47 47 CYS H H 1 8.773 . . 1 . . . . 47 CYS HN . 16819 1 190 . 1 1 47 47 CYS HA H 1 4.319 . . 1 . . . . 47 CYS HA . 16819 1 191 . 1 1 47 47 CYS HB2 H 1 2.725 . . 2 . . . . 47 CYS HB1 . 16819 1 192 . 1 1 47 47 CYS HB3 H 1 2.590 . . 2 . . . . 47 CYS HB2 . 16819 1 193 . 1 1 47 47 CYS N N 15 115.827 . . 1 . . . . 47 CYS N . 16819 1 194 . 1 1 48 48 GLU H H 1 7.775 . . 1 . . . . 48 GLU HN . 16819 1 195 . 1 1 48 48 GLU HA H 1 3.929 . . 1 . . . . 48 GLU HA . 16819 1 196 . 1 1 48 48 GLU HB2 H 1 2.384 . . 2 . . . . 48 GLU HB1 . 16819 1 197 . 1 1 48 48 GLU HB3 H 1 2.580 . . 2 . . . . 48 GLU HB2 . 16819 1 198 . 1 1 48 48 GLU HG2 H 1 2.148 . . 2 . . . . 48 GLU HG1 . 16819 1 199 . 1 1 48 48 GLU N N 15 117.841 . . 1 . . . . 48 GLU N . 16819 1 200 . 1 1 49 49 ASP H H 1 6.791 . . 1 . . . . 49 ASP HN . 16819 1 201 . 1 1 49 49 ASP HA H 1 4.490 . . 1 . . . . 49 ASP HA . 16819 1 202 . 1 1 49 49 ASP HB2 H 1 2.312 . . 2 . . . . 49 ASP HB1 . 16819 1 203 . 1 1 49 49 ASP N N 15 116.149 . . 1 . . . . 49 ASP N . 16819 1 204 . 1 1 50 50 HIS H H 1 7.016 . . 1 . . . . 50 HIS HN . 16819 1 205 . 1 1 50 50 HIS HA H 1 4.483 . . 1 . . . . 50 HIS HA . 16819 1 206 . 1 1 50 50 HIS HB2 H 1 2.675 . . 2 . . . . 50 HIS HB1 . 16819 1 207 . 1 1 50 50 HIS HB3 H 1 2.234 . . 2 . . . . 50 HIS HB2 . 16819 1 208 . 1 1 50 50 HIS HD1 H 1 12.833 . . 3 . . . . 50 HIS HD1 . 16819 1 209 . 1 1 50 50 HIS N N 15 121.887 . . 1 . . . . 50 HIS N . 16819 1 210 . 1 1 51 51 CYS H H 1 8.059 . . 1 . . . . 51 CYS HN . 16819 1 211 . 1 1 51 51 CYS HA H 1 4.490 . . 1 . . . . 51 CYS HA . 16819 1 212 . 1 1 51 51 CYS HB2 H 1 2.856 . . 2 . . . . 51 CYS HB1 . 16819 1 213 . 1 1 51 51 CYS N N 15 118.443 . . 1 . . . . 51 CYS N . 16819 1 214 . 1 1 52 52 HIS H H 1 8.294 . . 1 . . . . 52 HIS HN . 16819 1 215 . 1 1 52 52 HIS HA H 1 4.581 . . 1 . . . . 52 HIS HA . 16819 1 216 . 1 1 52 52 HIS HB2 H 1 3.496 . . 2 . . . . 52 HIS HB1 . 16819 1 217 . 1 1 52 52 HIS HB3 H 1 2.981 . . 2 . . . . 52 HIS HB2 . 16819 1 218 . 1 1 52 52 HIS N N 15 123.835 . . 1 . . . . 52 HIS N . 16819 1 219 . 1 1 54 54 VAL HA H 1 4.013 . . 1 . . . . 54 VAL HA . 16819 1 220 . 1 1 54 54 VAL HG11 H 1 1.077 . . 4 . . . . 54 VAL HG11 . 16819 1 221 . 1 1 54 54 VAL HG12 H 1 1.077 . . 4 . . . . 54 VAL HG11 . 16819 1 222 . 1 1 54 54 VAL HG13 H 1 1.077 . . 4 . . . . 54 VAL HG11 . 16819 1 223 . 1 1 55 55 CYS H H 1 7.314 . . 1 . . . . 55 CYS HN . 16819 1 224 . 1 1 55 55 CYS HA H 1 4.229 . . 1 . . . . 55 CYS HA . 16819 1 225 . 1 1 55 55 CYS HB2 H 1 3.514 . . 2 . . . . 55 CYS HB1 . 16819 1 226 . 1 1 55 55 CYS HB3 H 1 3.000 . . 2 . . . . 55 CYS HB2 . 16819 1 227 . 1 1 55 55 CYS N N 15 116.926 . . 1 . . . . 55 CYS N . 16819 1 228 . 1 1 56 56 LYS H H 1 6.427 . . 1 . . . . 56 LYS HN . 16819 1 229 . 1 1 56 56 LYS HA H 1 4.115 . . 1 . . . . 56 LYS HA . 16819 1 230 . 1 1 56 56 LYS HB2 H 1 1.775 . . 2 . . . . 56 LYS HB1 . 16819 1 231 . 1 1 56 56 LYS HG2 H 1 1.346 . . 2 . . . . 56 LYS HG1 . 16819 1 232 . 1 1 56 56 LYS N N 15 117.865 . . 1 . . . . 56 LYS N . 16819 1 233 . 1 1 57 57 ASP H H 1 8.415 . . 1 . . . . 57 ASP HN . 16819 1 234 . 1 1 57 57 ASP HA H 1 4.106 . . 1 . . . . 57 ASP HA . 16819 1 235 . 1 1 57 57 ASP HB2 H 1 2.520 . . 2 . . . . 57 ASP HB1 . 16819 1 236 . 1 1 57 57 ASP HB3 H 1 2.533 . . 2 . . . . 57 ASP HB2 . 16819 1 237 . 1 1 57 57 ASP N N 15 122.411 . . 1 . . . . 57 ASP N . 16819 1 238 . 1 1 58 58 LEU H H 1 7.593 . . 1 . . . . 58 LEU HN . 16819 1 239 . 1 1 58 58 LEU HA H 1 4.212 . . 1 . . . . 58 LEU HA . 16819 1 240 . 1 1 58 58 LEU HB2 H 1 1.732 . . 2 . . . . 58 LEU HB1 . 16819 1 241 . 1 1 58 58 LEU HD11 H 1 0.790 . . 4 . . . . 58 LEU HD11 . 16819 1 242 . 1 1 58 58 LEU HD12 H 1 0.790 . . 4 . . . . 58 LEU HD11 . 16819 1 243 . 1 1 58 58 LEU HD13 H 1 0.790 . . 4 . . . . 58 LEU HD11 . 16819 1 244 . 1 1 58 58 LEU HG H 1 1.583 . . 1 . . . . 58 LEU HG . 16819 1 245 . 1 1 58 58 LEU N N 15 115.608 . . 1 . . . . 58 LEU N . 16819 1 246 . 1 1 59 59 HIS H H 1 7.866 . . 1 . . . . 59 HIS HN . 16819 1 247 . 1 1 59 59 HIS HA H 1 4.316 . . 1 . . . . 59 HIS HA . 16819 1 248 . 1 1 59 59 HIS HB2 H 1 3.269 . . 2 . . . . 59 HIS HB1 . 16819 1 249 . 1 1 59 59 HIS N N 15 113.919 . . 1 . . . . 59 HIS N . 16819 1 250 . 1 1 60 60 LEU H H 1 7.762 . . 1 . . . . 60 LEU HN . 16819 1 251 . 1 1 60 60 LEU HA H 1 4.291 . . 1 . . . . 60 LEU HA . 16819 1 252 . 1 1 60 60 LEU HB2 H 1 2.093 . . 2 . . . . 60 LEU HB1 . 16819 1 253 . 1 1 60 60 LEU HB3 H 1 1.560 . . 2 . . . . 60 LEU HB2 . 16819 1 254 . 1 1 60 60 LEU HD11 H 1 0.974 . . 4 . . . . 60 LEU HD11 . 16819 1 255 . 1 1 60 60 LEU HD12 H 1 0.775 . . 4 . . . . 60 LEU HD12 . 16819 1 256 . 1 1 60 60 LEU HD13 H 1 0.775 . . 4 . . . . 60 LEU HD12 . 16819 1 257 . 1 1 60 60 LEU HG H 1 1.243 . . 1 . . . . 60 LEU HG . 16819 1 258 . 1 1 60 60 LEU N N 15 116.798 . . 1 . . . . 60 LEU N . 16819 1 259 . 1 1 61 61 CYS H H 1 7.627 . . 1 . . . . 61 CYS HN . 16819 1 260 . 1 1 61 61 CYS HA H 1 4.309 . . 1 . . . . 61 CYS HA . 16819 1 261 . 1 1 61 61 CYS HB2 H 1 3.096 . . 2 . . . . 61 CYS HB1 . 16819 1 262 . 1 1 61 61 CYS HB3 H 1 3.003 . . 2 . . . . 61 CYS HB2 . 16819 1 263 . 1 1 61 61 CYS N N 15 119.042 . . 1 . . . . 61 CYS N . 16819 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 19 16819 1 1 20 16819 1 1 21 16819 1 2 54 16819 1 2 55 16819 1 2 56 16819 1 3 76 16819 1 3 77 16819 1 3 78 16819 1 4 120 16819 1 4 121 16819 1 4 122 16819 1 5 132 16819 1 5 133 16819 1 5 134 16819 1 5 135 16819 1 5 136 16819 1 5 137 16819 1 6 142 16819 1 6 143 16819 1 6 144 16819 1 7 162 16819 1 7 163 16819 1 7 164 16819 1 8 220 16819 1 8 221 16819 1 8 222 16819 1 9 241 16819 1 9 242 16819 1 9 243 16819 1 10 254 16819 1 10 255 16819 1 10 256 16819 1 stop_ save_