################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16159 _Assigned_chem_shift_list.ID 1 _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 $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' . . . 16159 1 3 '3D 1H-15N TOCSY' . . . 16159 1 4 '2D 1H-15N HSQC' . . . 16159 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 2 2 PRO HA H 1 4.479 0.000 . 1 . . . . 751 PRO HA . 16159 1 2 . 1 1 3 3 LYS H H 1 8.470 0.002 . 1 . . . . 752 LYS H . 16159 1 3 . 1 1 3 3 LYS HA H 1 4.290 0.006 . 1 . . . . 752 LYS HA . 16159 1 4 . 1 1 3 3 LYS HB2 H 1 1.795 0.002 . 1 . . . . 752 LYS HB2 . 16159 1 5 . 1 1 3 3 LYS HB3 H 1 1.795 0.002 . 1 . . . . 752 LYS HB3 . 16159 1 6 . 1 1 3 3 LYS HG2 H 1 1.463 0.000 . 1 . . . . 752 LYS HG2 . 16159 1 7 . 1 1 3 3 LYS HG3 H 1 1.463 0.000 . 1 . . . . 752 LYS HG3 . 16159 1 8 . 1 1 3 3 LYS N N 15 122.253 0.049 . 1 . . . . 752 LYS N . 16159 1 9 . 1 1 4 4 LEU H H 1 8.253 0.002 . 1 . . . . 753 LEU H . 16159 1 10 . 1 1 4 4 LEU HA H 1 4.357 0.000 . 1 . . . . 753 LEU HA . 16159 1 11 . 1 1 4 4 LEU HB2 H 1 1.597 0.000 . 1 . . . . 753 LEU HB2 . 16159 1 12 . 1 1 4 4 LEU HB3 H 1 1.597 0.000 . 1 . . . . 753 LEU HB3 . 16159 1 13 . 1 1 4 4 LEU N N 15 124.361 0.088 . 1 . . . . 753 LEU N . 16159 1 14 . 1 1 5 5 LEU H H 1 8.226 0.001 . 1 . . . . 754 LEU H . 16159 1 15 . 1 1 5 5 LEU HA H 1 4.358 0.001 . 1 . . . . 754 LEU HA . 16159 1 16 . 1 1 5 5 LEU HB2 H 1 1.590 0.001 . 1 . . . . 754 LEU HB2 . 16159 1 17 . 1 1 5 5 LEU HB3 H 1 1.590 0.001 . 1 . . . . 754 LEU HB3 . 16159 1 18 . 1 1 5 5 LEU HD11 H 1 0.893 0.000 . 1 . . . . 754 LEU HD11 . 16159 1 19 . 1 1 5 5 LEU HD12 H 1 0.893 0.000 . 1 . . . . 754 LEU HD12 . 16159 1 20 . 1 1 5 5 LEU HD13 H 1 0.893 0.000 . 1 . . . . 754 LEU HD13 . 16159 1 21 . 1 1 5 5 LEU HD21 H 1 0.893 0.000 . 1 . . . . 754 LEU HD21 . 16159 1 22 . 1 1 5 5 LEU HD22 H 1 0.893 0.000 . 1 . . . . 754 LEU HD22 . 16159 1 23 . 1 1 5 5 LEU HD23 H 1 0.893 0.000 . 1 . . . . 754 LEU HD23 . 16159 1 24 . 1 1 5 5 LEU N N 15 123.650 0.014 . 1 . . . . 754 LEU N . 16159 1 25 . 1 1 6 6 MET H H 1 8.252 0.001 . 1 . . . . 755 MET H . 16159 1 26 . 1 1 6 6 MET HA H 1 4.492 0.004 . 1 . . . . 755 MET HA . 16159 1 27 . 1 1 6 6 MET HB2 H 1 1.996 0.009 . 1 . . . . 755 MET HB2 . 16159 1 28 . 1 1 6 6 MET HB3 H 1 1.996 0.009 . 1 . . . . 755 MET HB3 . 16159 1 29 . 1 1 6 6 MET HG2 H 1 2.515 0.000 . 1 . . . . 755 MET HG2 . 16159 1 30 . 1 1 6 6 MET HG3 H 1 2.515 0.000 . 1 . . . . 755 MET HG3 . 16159 1 31 . 1 1 6 6 MET N N 15 121.874 0.001 . 1 . . . . 755 MET N . 16159 1 32 . 1 1 7 7 ILE H H 1 8.124 0.003 . 1 . . . . 756 ILE H . 16159 1 33 . 1 1 7 7 ILE HA H 1 4.116 0.000 . 1 . . . . 756 ILE HA . 16159 1 34 . 1 1 7 7 ILE HB H 1 1.788 0.000 . 1 . . . . 756 ILE HB . 16159 1 35 . 1 1 7 7 ILE HG12 H 1 1.134 0.000 . 2 . . . . 756 ILE HG12 . 16159 1 36 . 1 1 7 7 ILE HG13 H 1 1.423 0.000 . 2 . . . . 756 ILE HG13 . 16159 1 37 . 1 1 7 7 ILE HG21 H 1 0.749 0.007 . 1 . . . . 756 ILE HG21 . 16159 1 38 . 1 1 7 7 ILE HG22 H 1 0.749 0.007 . 1 . . . . 756 ILE HG22 . 16159 1 39 . 1 1 7 7 ILE HG23 H 1 0.749 0.007 . 1 . . . . 756 ILE HG23 . 16159 1 40 . 1 1 7 7 ILE N N 15 123.096 0.005 . 1 . . . . 756 ILE N . 16159 1 41 . 1 1 8 8 ILE H H 1 8.190 0.003 . 1 . . . . 757 ILE H . 16159 1 42 . 1 1 8 8 ILE HA H 1 4.119 0.003 . 1 . . . . 757 ILE HA . 16159 1 43 . 1 1 8 8 ILE HB H 1 1.790 0.003 . 1 . . . . 757 ILE HB . 16159 1 44 . 1 1 8 8 ILE HG12 H 1 1.132 0.000 . 2 . . . . 757 ILE HG12 . 16159 1 45 . 1 1 8 8 ILE HG13 H 1 1.402 0.003 . 2 . . . . 757 ILE HG13 . 16159 1 46 . 1 1 8 8 ILE HG21 H 1 0.827 0.005 . 1 . . . . 757 ILE HG21 . 16159 1 47 . 1 1 8 8 ILE HG22 H 1 0.827 0.005 . 1 . . . . 757 ILE HG22 . 16159 1 48 . 1 1 8 8 ILE HG23 H 1 0.827 0.005 . 1 . . . . 757 ILE HG23 . 16159 1 49 . 1 1 8 8 ILE N N 15 125.448 0.022 . 1 . . . . 757 ILE N . 16159 1 50 . 1 1 9 9 HIS H H 1 8.627 0.002 . 1 . . . . 758 HIS H . 16159 1 51 . 1 1 9 9 HIS HA H 1 4.754 0.000 . 1 . . . . 758 HIS HA . 16159 1 52 . 1 1 9 9 HIS HB2 H 1 3.145 0.001 . 2 . . . . 758 HIS HB2 . 16159 1 53 . 1 1 9 9 HIS HB3 H 1 3.210 0.000 . 2 . . . . 758 HIS HB3 . 16159 1 54 . 1 1 9 9 HIS N N 15 123.194 0.044 . 1 . . . . 758 HIS N . 16159 1 55 . 1 1 10 10 ASP H H 1 8.349 0.005 . 1 . . . . 759 ASP H . 16159 1 56 . 1 1 10 10 ASP HA H 1 4.609 0.004 . 1 . . . . 759 ASP HA . 16159 1 57 . 1 1 10 10 ASP HB2 H 1 2.704 0.007 . 1 . . . . 759 ASP HB2 . 16159 1 58 . 1 1 10 10 ASP HB3 H 1 2.704 0.007 . 1 . . . . 759 ASP HB3 . 16159 1 59 . 1 1 10 10 ASP N N 15 121.824 0.011 . 1 . . . . 759 ASP N . 16159 1 60 . 1 1 11 11 ARG H H 1 8.475 0.001 . 1 . . . . 760 ARG H . 16159 1 61 . 1 1 11 11 ARG HA H 1 4.222 0.000 . 1 . . . . 760 ARG HA . 16159 1 62 . 1 1 11 11 ARG HB2 H 1 1.924 0.000 . 1 . . . . 760 ARG HB2 . 16159 1 63 . 1 1 11 11 ARG HB3 H 1 1.924 0.000 . 1 . . . . 760 ARG HB3 . 16159 1 64 . 1 1 11 11 ARG HD2 H 1 3.188 0.004 . 1 . . . . 760 ARG HD2 . 16159 1 65 . 1 1 11 11 ARG HD3 H 1 3.188 0.004 . 1 . . . . 760 ARG HD3 . 16159 1 66 . 1 1 11 11 ARG HE H 1 7.242 0.002 . 1 . . . . 760 ARG HE . 16159 1 67 . 1 1 11 11 ARG HG2 H 1 1.642 0.001 . 1 . . . . 760 ARG HG2 . 16159 1 68 . 1 1 11 11 ARG HG3 H 1 1.642 0.001 . 1 . . . . 760 ARG HG3 . 16159 1 69 . 1 1 11 11 ARG N N 15 122.310 0.056 . 1 . . . . 760 ARG N . 16159 1 70 . 1 1 11 11 ARG NE N 15 109.878 0.044 . 1 . . . . 760 ARG NE . 16159 1 71 . 1 1 12 12 ARG H H 1 8.445 0.005 . 1 . . . . 761 ARG H . 16159 1 72 . 1 1 12 12 ARG HA H 1 4.234 0.000 . 1 . . . . 761 ARG HA . 16159 1 73 . 1 1 12 12 ARG HB2 H 1 1.808 0.010 . 1 . . . . 761 ARG HB2 . 16159 1 74 . 1 1 12 12 ARG HB3 H 1 1.808 0.010 . 1 . . . . 761 ARG HB3 . 16159 1 75 . 1 1 12 12 ARG HD2 H 1 3.185 0.008 . 1 . . . . 761 ARG HD2 . 16159 1 76 . 1 1 12 12 ARG HD3 H 1 3.185 0.008 . 1 . . . . 761 ARG HD3 . 16159 1 77 . 1 1 12 12 ARG HE H 1 7.413 0.003 . 1 . . . . 761 ARG HE . 16159 1 78 . 1 1 12 12 ARG HG2 H 1 1.617 0.005 . 1 . . . . 761 ARG HG2 . 16159 1 79 . 1 1 12 12 ARG HG3 H 1 1.617 0.005 . 1 . . . . 761 ARG HG3 . 16159 1 80 . 1 1 12 12 ARG N N 15 121.597 0.012 . 1 . . . . 761 ARG N . 16159 1 81 . 1 1 12 12 ARG NE N 15 110.069 0.044 . 1 . . . . 761 ARG NE . 16159 1 82 . 1 1 13 13 GLU H H 1 8.323 0.005 . 1 . . . . 762 GLU H . 16159 1 83 . 1 1 13 13 GLU HA H 1 4.208 0.001 . 1 . . . . 762 GLU HA . 16159 1 84 . 1 1 13 13 GLU HB2 H 1 1.931 0.009 . 1 . . . . 762 GLU HB2 . 16159 1 85 . 1 1 13 13 GLU HB3 H 1 1.931 0.009 . 1 . . . . 762 GLU HB3 . 16159 1 86 . 1 1 13 13 GLU HG2 H 1 2.137 0.000 . 2 . . . . 762 GLU HG2 . 16159 1 87 . 1 1 13 13 GLU HG3 H 1 2.204 0.003 . 2 . . . . 762 GLU HG3 . 16159 1 88 . 1 1 13 13 GLU N N 15 120.703 0.053 . 1 . . . . 762 GLU N . 16159 1 89 . 1 1 14 14 PHE H H 1 8.088 0.002 . 1 . . . . 763 PHE H . 16159 1 90 . 1 1 14 14 PHE HA H 1 4.553 0.003 . 1 . . . . 763 PHE HA . 16159 1 91 . 1 1 14 14 PHE HB2 H 1 3.019 0.001 . 2 . . . . 763 PHE HB2 . 16159 1 92 . 1 1 14 14 PHE HB3 H 1 3.189 0.000 . 2 . . . . 763 PHE HB3 . 16159 1 93 . 1 1 14 14 PHE N N 15 120.255 0.047 . 1 . . . . 763 PHE N . 16159 1 94 . 1 1 15 15 ALA H H 1 8.113 0.005 . 1 . . . . 764 ALA H . 16159 1 95 . 1 1 15 15 ALA HA H 1 4.231 0.000 . 1 . . . . 764 ALA HA . 16159 1 96 . 1 1 15 15 ALA HB1 H 1 1.349 0.004 . 1 . . . . 764 ALA HB1 . 16159 1 97 . 1 1 15 15 ALA HB2 H 1 1.349 0.004 . 1 . . . . 764 ALA HB2 . 16159 1 98 . 1 1 15 15 ALA HB3 H 1 1.349 0.004 . 1 . . . . 764 ALA HB3 . 16159 1 99 . 1 1 15 15 ALA N N 15 124.184 0.024 . 1 . . . . 764 ALA N . 16159 1 100 . 1 1 16 16 LYS H H 1 8.004 0.002 . 1 . . . . 765 LYS H . 16159 1 101 . 1 1 16 16 LYS HA H 1 4.158 0.007 . 1 . . . . 765 LYS HA . 16159 1 102 . 1 1 16 16 LYS HB2 H 1 1.697 0.001 . 1 . . . . 765 LYS HB2 . 16159 1 103 . 1 1 16 16 LYS HB3 H 1 1.697 0.001 . 1 . . . . 765 LYS HB3 . 16159 1 104 . 1 1 16 16 LYS HG2 H 1 1.292 0.000 . 1 . . . . 765 LYS HG2 . 16159 1 105 . 1 1 16 16 LYS HG3 H 1 1.292 0.000 . 1 . . . . 765 LYS HG3 . 16159 1 106 . 1 1 16 16 LYS N N 15 119.631 0.057 . 1 . . . . 765 LYS N . 16159 1 107 . 1 1 17 17 PHE H H 1 8.052 0.005 . 1 . . . . 766 PHE H . 16159 1 108 . 1 1 17 17 PHE HA H 1 4.592 0.003 . 1 . . . . 766 PHE HA . 16159 1 109 . 1 1 17 17 PHE HB2 H 1 3.029 0.001 . 2 . . . . 766 PHE HB2 . 16159 1 110 . 1 1 17 17 PHE HB3 H 1 3.173 0.005 . 2 . . . . 766 PHE HB3 . 16159 1 111 . 1 1 17 17 PHE N N 15 120.046 0.015 . 1 . . . . 766 PHE N . 16159 1 112 . 1 1 18 18 GLU H H 1 8.175 0.001 . 1 . . . . 767 GLU H . 16159 1 113 . 1 1 18 18 GLU HA H 1 4.209 0.000 . 1 . . . . 767 GLU HA . 16159 1 114 . 1 1 18 18 GLU HB2 H 1 1.940 0.000 . 2 . . . . 767 GLU HB2 . 16159 1 115 . 1 1 18 18 GLU HB3 H 1 2.030 0.000 . 2 . . . . 767 GLU HB3 . 16159 1 116 . 1 1 18 18 GLU HG2 H 1 2.221 0.000 . 1 . . . . 767 GLU HG2 . 16159 1 117 . 1 1 18 18 GLU HG3 H 1 2.221 0.000 . 1 . . . . 767 GLU HG3 . 16159 1 118 . 1 1 18 18 GLU N N 15 121.797 0.025 . 1 . . . . 767 GLU N . 16159 1 119 . 1 1 19 19 LYS H H 1 8.171 0.002 . 1 . . . . 768 LYS H . 16159 1 120 . 1 1 19 19 LYS HA H 1 4.183 0.000 . 1 . . . . 768 LYS HA . 16159 1 121 . 1 1 19 19 LYS HB2 H 1 1.822 0.004 . 1 . . . . 768 LYS HB2 . 16159 1 122 . 1 1 19 19 LYS HB3 H 1 1.822 0.004 . 1 . . . . 768 LYS HB3 . 16159 1 123 . 1 1 19 19 LYS HD2 H 1 1.704 0.000 . 1 . . . . 768 LYS HD2 . 16159 1 124 . 1 1 19 19 LYS HD3 H 1 1.704 0.000 . 1 . . . . 768 LYS HD3 . 16159 1 125 . 1 1 19 19 LYS HG2 H 1 1.445 0.001 . 1 . . . . 768 LYS HG2 . 16159 1 126 . 1 1 19 19 LYS HG3 H 1 1.445 0.001 . 1 . . . . 768 LYS HG3 . 16159 1 127 . 1 1 19 19 LYS N N 15 121.451 0.040 . 1 . . . . 768 LYS N . 16159 1 128 . 1 1 20 20 GLU H H 1 8.336 0.002 . 1 . . . . 769 GLU H . 16159 1 129 . 1 1 20 20 GLU HA H 1 4.178 0.000 . 1 . . . . 769 GLU HA . 16159 1 130 . 1 1 20 20 GLU HB2 H 1 2.015 0.011 . 1 . . . . 769 GLU HB2 . 16159 1 131 . 1 1 20 20 GLU HB3 H 1 2.015 0.011 . 1 . . . . 769 GLU HB3 . 16159 1 132 . 1 1 20 20 GLU HG2 H 1 2.320 0.002 . 1 . . . . 769 GLU HG2 . 16159 1 133 . 1 1 20 20 GLU HG3 H 1 2.320 0.002 . 1 . . . . 769 GLU HG3 . 16159 1 134 . 1 1 20 20 GLU N N 15 120.342 0.028 . 1 . . . . 769 GLU N . 16159 1 135 . 1 1 21 21 LYS H H 1 8.103 0.004 . 1 . . . . 770 LYS H . 16159 1 136 . 1 1 21 21 LYS HA H 1 4.225 0.005 . 1 . . . . 770 LYS HA . 16159 1 137 . 1 1 21 21 LYS HB2 H 1 1.761 0.005 . 2 . . . . 770 LYS HB2 . 16159 1 138 . 1 1 21 21 LYS HB3 H 1 1.803 0.005 . 2 . . . . 770 LYS HB3 . 16159 1 139 . 1 1 21 21 LYS HD2 H 1 1.654 0.000 . 1 . . . . 770 LYS HD2 . 16159 1 140 . 1 1 21 21 LYS HD3 H 1 1.654 0.000 . 1 . . . . 770 LYS HD3 . 16159 1 141 . 1 1 21 21 LYS HE2 H 1 2.980 0.000 . 1 . . . . 770 LYS HE2 . 16159 1 142 . 1 1 21 21 LYS HE3 H 1 2.980 0.000 . 1 . . . . 770 LYS HE3 . 16159 1 143 . 1 1 21 21 LYS HG2 H 1 1.392 0.001 . 1 . . . . 770 LYS HG2 . 16159 1 144 . 1 1 21 21 LYS HG3 H 1 1.392 0.001 . 1 . . . . 770 LYS HG3 . 16159 1 145 . 1 1 21 21 LYS N N 15 120.927 0.016 . 1 . . . . 770 LYS N . 16159 1 146 . 1 1 22 22 MET H H 1 8.154 0.006 . 1 . . . . 771 MET H . 16159 1 147 . 1 1 22 22 MET HA H 1 4.398 0.005 . 1 . . . . 771 MET HA . 16159 1 148 . 1 1 22 22 MET HB2 H 1 2.044 0.010 . 1 . . . . 771 MET HB2 . 16159 1 149 . 1 1 22 22 MET HB3 H 1 2.040 0.010 . 1 . . . . 771 MET HB3 . 16159 1 150 . 1 1 22 22 MET HG2 H 1 2.553 0.000 . 1 . . . . 771 MET HG2 . 16159 1 151 . 1 1 22 22 MET HG3 H 1 2.553 0.000 . 1 . . . . 771 MET HG3 . 16159 1 152 . 1 1 22 22 MET N N 15 120.206 0.020 . 1 . . . . 771 MET N . 16159 1 153 . 1 1 23 23 ASN H H 1 8.286 0.004 . 1 . . . . 772 ASN H . 16159 1 154 . 1 1 23 23 ASN HA H 1 4.650 0.008 . 1 . . . . 772 ASN HA . 16159 1 155 . 1 1 23 23 ASN HB2 H 1 2.751 0.018 . 1 . . . . 772 ASN HB2 . 16159 1 156 . 1 1 23 23 ASN HB3 H 1 2.751 0.018 . 1 . . . . 772 ASN HB3 . 16159 1 157 . 1 1 23 23 ASN HD21 H 1 6.873 0.001 . 1 . . . . 772 ASN HD21 . 16159 1 158 . 1 1 23 23 ASN HD22 H 1 7.560 0.004 . 1 . . . . 772 ASN HD22 . 16159 1 159 . 1 1 23 23 ASN N N 15 119.446 0.040 . 1 . . . . 772 ASN N . 16159 1 160 . 1 1 23 23 ASN ND2 N 15 112.699 0.030 . 1 . . . . 772 ASN ND2 . 16159 1 161 . 1 1 24 24 ALA H H 1 8.099 0.001 . 1 . . . . 773 ALA H . 16159 1 162 . 1 1 24 24 ALA HA H 1 4.213 0.000 . 1 . . . . 773 ALA HA . 16159 1 163 . 1 1 24 24 ALA HB1 H 1 1.291 0.000 . 1 . . . . 773 ALA HB1 . 16159 1 164 . 1 1 24 24 ALA HB2 H 1 1.291 0.000 . 1 . . . . 773 ALA HB2 . 16159 1 165 . 1 1 24 24 ALA HB3 H 1 1.291 0.000 . 1 . . . . 773 ALA HB3 . 16159 1 166 . 1 1 24 24 ALA N N 15 124.122 0.050 . 1 . . . . 773 ALA N . 16159 1 167 . 1 1 25 25 LYS H H 1 8.097 0.005 . 1 . . . . 774 LYS H . 16159 1 168 . 1 1 25 25 LYS HA H 1 4.227 0.002 . 1 . . . . 774 LYS HA . 16159 1 169 . 1 1 25 25 LYS HB2 H 1 1.655 0.002 . 1 . . . . 774 LYS HB2 . 16159 1 170 . 1 1 25 25 LYS HB3 H 1 1.655 0.002 . 1 . . . . 774 LYS HB3 . 16159 1 171 . 1 1 25 25 LYS HG2 H 1 1.280 0.008 . 1 . . . . 774 LYS HG2 . 16159 1 172 . 1 1 25 25 LYS HG3 H 1 1.277 0.007 . 1 . . . . 774 LYS HG3 . 16159 1 173 . 1 1 25 25 LYS N N 15 119.550 0.081 . 1 . . . . 774 LYS N . 16159 1 174 . 1 1 26 26 TRP H H 1 7.960 0.002 . 1 . . . . 775 TRP H . 16159 1 175 . 1 1 26 26 TRP HA H 1 4.744 0.007 . 1 . . . . 775 TRP HA . 16159 1 176 . 1 1 26 26 TRP HB2 H 1 3.222 0.010 . 2 . . . . 775 TRP HB2 . 16159 1 177 . 1 1 26 26 TRP HB3 H 1 3.323 0.004 . 2 . . . . 775 TRP HB3 . 16159 1 178 . 1 1 26 26 TRP HD1 H 1 7.228 0.002 . 1 . . . . 775 TRP HD1 . 16159 1 179 . 1 1 26 26 TRP HE1 H 1 10.113 0.001 . 1 . . . . 775 TRP HE1 . 16159 1 180 . 1 1 26 26 TRP HZ2 H 1 7.468 0.001 . 1 . . . . 775 TRP HZ2 . 16159 1 181 . 1 1 26 26 TRP N N 15 121.298 0.002 . 1 . . . . 775 TRP N . 16159 1 182 . 1 1 26 26 TRP NE1 N 15 129.304 0.036 . 1 . . . . 775 TRP NE1 . 16159 1 183 . 1 1 27 27 ASP H H 1 8.212 0.004 . 1 . . . . 776 ASP H . 16159 1 184 . 1 1 27 27 ASP HA H 1 4.648 0.009 . 1 . . . . 776 ASP HA . 16159 1 185 . 1 1 27 27 ASP HB2 H 1 2.546 0.001 . 2 . . . . 776 ASP HB2 . 16159 1 186 . 1 1 27 27 ASP HB3 H 1 2.598 0.007 . 2 . . . . 776 ASP HB3 . 16159 1 187 . 1 1 27 27 ASP N N 15 121.951 0.017 . 1 . . . . 776 ASP N . 16159 1 188 . 1 1 28 28 THR H H 1 8.066 0.005 . 1 . . . . 777 THR H . 16159 1 189 . 1 1 28 28 THR HA H 1 4.289 0.002 . 1 . . . . 777 THR HA . 16159 1 190 . 1 1 28 28 THR HB H 1 4.291 0.000 . 1 . . . . 777 THR HB . 16159 1 191 . 1 1 28 28 THR HG21 H 1 1.186 0.009 . 1 . . . . 777 THR HG21 . 16159 1 192 . 1 1 28 28 THR HG22 H 1 1.186 0.009 . 1 . . . . 777 THR HG22 . 16159 1 193 . 1 1 28 28 THR HG23 H 1 1.186 0.009 . 1 . . . . 777 THR HG23 . 16159 1 194 . 1 1 28 28 THR N N 15 113.696 0.034 . 1 . . . . 777 THR N . 16159 1 195 . 1 1 29 29 GLY H H 1 8.414 0.002 . 1 . . . . 778 GLY H . 16159 1 196 . 1 1 29 29 GLY HA2 H 1 3.945 0.002 . 2 . . . . 778 GLY HA2 . 16159 1 197 . 1 1 29 29 GLY HA3 H 1 3.990 0.001 . 2 . . . . 778 GLY HA3 . 16159 1 198 . 1 1 29 29 GLY N N 15 110.755 0.012 . 1 . . . . 778 GLY N . 16159 1 199 . 1 1 30 30 GLU H H 1 8.129 0.005 . 1 . . . . 779 GLU H . 16159 1 200 . 1 1 30 30 GLU HA H 1 4.292 0.006 . 1 . . . . 779 GLU HA . 16159 1 201 . 1 1 30 30 GLU HB2 H 1 1.898 0.003 . 2 . . . . 779 GLU HB2 . 16159 1 202 . 1 1 30 30 GLU HB3 H 1 2.035 0.001 . 2 . . . . 779 GLU HB3 . 16159 1 203 . 1 1 30 30 GLU HG2 H 1 2.246 0.009 . 1 . . . . 779 GLU HG2 . 16159 1 204 . 1 1 30 30 GLU HG3 H 1 2.246 0.009 . 1 . . . . 779 GLU HG3 . 16159 1 205 . 1 1 30 30 GLU N N 15 119.850 0.064 . 1 . . . . 779 GLU N . 16159 1 206 . 1 1 31 31 ASN H H 1 8.425 0.004 . 1 . . . . 780 ASN H . 16159 1 207 . 1 1 31 31 ASN HA H 1 4.854 0.000 . 1 . . . . 780 ASN HA . 16159 1 208 . 1 1 31 31 ASN HB2 H 1 2.664 0.001 . 2 . . . . 780 ASN HB2 . 16159 1 209 . 1 1 31 31 ASN HB3 H 1 2.807 0.003 . 2 . . . . 780 ASN HB3 . 16159 1 210 . 1 1 31 31 ASN HD21 H 1 6.893 0.001 . 1 . . . . 780 ASN HD21 . 16159 1 211 . 1 1 31 31 ASN HD22 H 1 7.615 0.001 . 1 . . . . 780 ASN HD22 . 16159 1 212 . 1 1 31 31 ASN N N 15 120.946 0.021 . 1 . . . . 780 ASN N . 16159 1 213 . 1 1 31 31 ASN ND2 N 15 113.115 0.022 . 1 . . . . 780 ASN ND2 . 16159 1 214 . 1 1 32 32 PRO HA H 1 4.353 0.000 . 1 . . . . 781 PRO HA . 16159 1 215 . 1 1 32 32 PRO HB2 H 1 2.189 0.010 . 1 . . . . 781 PRO HB2 . 16159 1 216 . 1 1 32 32 PRO HB3 H 1 2.189 0.010 . 1 . . . . 781 PRO HB3 . 16159 1 217 . 1 1 32 32 PRO HD2 H 1 3.684 0.016 . 1 . . . . 781 PRO HD2 . 16159 1 218 . 1 1 32 32 PRO HD3 H 1 3.684 0.016 . 1 . . . . 781 PRO HD3 . 16159 1 219 . 1 1 32 32 PRO HG2 H 1 1.946 0.000 . 1 . . . . 781 PRO HG2 . 16159 1 220 . 1 1 32 32 PRO HG3 H 1 1.946 0.000 . 1 . . . . 781 PRO HG3 . 16159 1 221 . 1 1 33 33 ILE H H 1 7.984 0.002 . 1 . . . . 782 ILE H . 16159 1 222 . 1 1 33 33 ILE HA H 1 4.037 0.001 . 1 . . . . 782 ILE HA . 16159 1 223 . 1 1 33 33 ILE HB H 1 1.735 0.004 . 1 . . . . 782 ILE HB . 16159 1 224 . 1 1 33 33 ILE HG12 H 1 1.088 0.000 . 2 . . . . 782 ILE HG12 . 16159 1 225 . 1 1 33 33 ILE HG13 H 1 1.301 0.003 . 2 . . . . 782 ILE HG13 . 16159 1 226 . 1 1 33 33 ILE HG21 H 1 0.741 0.012 . 1 . . . . 782 ILE HG21 . 16159 1 227 . 1 1 33 33 ILE HG22 H 1 0.741 0.012 . 1 . . . . 782 ILE HG22 . 16159 1 228 . 1 1 33 33 ILE HG23 H 1 0.741 0.012 . 1 . . . . 782 ILE HG23 . 16159 1 229 . 1 1 33 33 ILE N N 15 119.364 0.018 . 1 . . . . 782 ILE N . 16159 1 230 . 1 1 34 34 TYR H H 1 7.920 0.002 . 1 . . . . 783 TYR H . 16159 1 231 . 1 1 34 34 TYR HA H 1 4.607 0.001 . 1 . . . . 783 TYR HA . 16159 1 232 . 1 1 34 34 TYR HB2 H 1 2.901 0.006 . 2 . . . . 783 TYR HB2 . 16159 1 233 . 1 1 34 34 TYR HB3 H 1 3.079 0.007 . 2 . . . . 783 TYR HB3 . 16159 1 234 . 1 1 34 34 TYR HD1 H 1 7.101 0.002 . 3 . . . . 783 TYR HD1 . 16159 1 235 . 1 1 34 34 TYR HD2 H 1 7.101 0.002 . 3 . . . . 783 TYR HD2 . 16159 1 236 . 1 1 34 34 TYR N N 15 122.792 0.020 . 1 . . . . 783 TYR N . 16159 1 237 . 1 1 35 35 LYS H H 1 8.015 0.012 . 1 . . . . 784 LYS H . 16159 1 238 . 1 1 35 35 LYS HA H 1 4.295 0.003 . 1 . . . . 784 LYS HA . 16159 1 239 . 1 1 35 35 LYS HB2 H 1 1.696 0.003 . 2 . . . . 784 LYS HB2 . 16159 1 240 . 1 1 35 35 LYS HB3 H 1 1.801 0.001 . 2 . . . . 784 LYS HB3 . 16159 1 241 . 1 1 35 35 LYS HG2 H 1 1.364 0.007 . 1 . . . . 784 LYS HG2 . 16159 1 242 . 1 1 35 35 LYS HG3 H 1 1.364 0.007 . 1 . . . . 784 LYS HG3 . 16159 1 243 . 1 1 35 35 LYS N N 15 122.986 0.021 . 1 . . . . 784 LYS N . 16159 1 244 . 1 1 36 36 SER H H 1 8.176 0.004 . 1 . . . . 785 SER H . 16159 1 245 . 1 1 36 36 SER HA H 1 4.399 0.000 . 1 . . . . 785 SER HA . 16159 1 246 . 1 1 36 36 SER HB2 H 1 3.870 0.002 . 1 . . . . 785 SER HB2 . 16159 1 247 . 1 1 36 36 SER HB3 H 1 3.870 0.002 . 1 . . . . 785 SER HB3 . 16159 1 248 . 1 1 36 36 SER N N 15 116.935 0.015 . 1 . . . . 785 SER N . 16159 1 249 . 1 1 37 37 ALA H H 1 8.328 0.001 . 1 . . . . 786 ALA H . 16159 1 250 . 1 1 37 37 ALA HA H 1 4.386 0.005 . 1 . . . . 786 ALA HA . 16159 1 251 . 1 1 37 37 ALA HB1 H 1 1.401 0.003 . 1 . . . . 786 ALA HB1 . 16159 1 252 . 1 1 37 37 ALA HB2 H 1 1.401 0.003 . 1 . . . . 786 ALA HB2 . 16159 1 253 . 1 1 37 37 ALA HB3 H 1 1.401 0.003 . 1 . . . . 786 ALA HB3 . 16159 1 254 . 1 1 37 37 ALA N N 15 126.179 0.015 . 1 . . . . 786 ALA N . 16159 1 255 . 1 1 38 38 VAL H H 1 8.094 0.002 . 1 . . . . 787 VAL H . 16159 1 256 . 1 1 38 38 VAL HA H 1 4.201 0.000 . 1 . . . . 787 VAL HA . 16159 1 257 . 1 1 38 38 VAL HB H 1 2.096 0.003 . 1 . . . . 787 VAL HB . 16159 1 258 . 1 1 38 38 VAL HG11 H 1 0.939 0.005 . 1 . . . . 787 VAL HG11 . 16159 1 259 . 1 1 38 38 VAL HG12 H 1 0.939 0.005 . 1 . . . . 787 VAL HG12 . 16159 1 260 . 1 1 38 38 VAL HG13 H 1 0.939 0.005 . 1 . . . . 787 VAL HG13 . 16159 1 261 . 1 1 38 38 VAL HG21 H 1 0.939 0.005 . 1 . . . . 787 VAL HG21 . 16159 1 262 . 1 1 38 38 VAL HG22 H 1 0.939 0.005 . 1 . . . . 787 VAL HG22 . 16159 1 263 . 1 1 38 38 VAL HG23 H 1 0.939 0.005 . 1 . . . . 787 VAL HG23 . 16159 1 264 . 1 1 38 38 VAL N N 15 119.075 0.013 . 1 . . . . 787 VAL N . 16159 1 265 . 1 1 39 39 THR H H 1 8.226 0.004 . 1 . . . . 788 THR H . 16159 1 266 . 1 1 39 39 THR HA H 1 4.440 0.006 . 1 . . . . 788 THR HA . 16159 1 267 . 1 1 39 39 THR HB H 1 4.192 0.000 . 1 . . . . 788 THR HB . 16159 1 268 . 1 1 39 39 THR HG21 H 1 1.199 0.000 . 1 . . . . 788 THR HG21 . 16159 1 269 . 1 1 39 39 THR HG22 H 1 1.199 0.000 . 1 . . . . 788 THR HG22 . 16159 1 270 . 1 1 39 39 THR HG23 H 1 1.199 0.000 . 1 . . . . 788 THR HG23 . 16159 1 271 . 1 1 39 39 THR N N 15 118.126 0.012 . 1 . . . . 788 THR N . 16159 1 272 . 1 1 40 40 THR H H 1 8.140 0.003 . 1 . . . . 789 THR H . 16159 1 273 . 1 1 40 40 THR HA H 1 4.362 0.002 . 1 . . . . 789 THR HA . 16159 1 274 . 1 1 40 40 THR HB H 1 4.184 0.000 . 1 . . . . 789 THR HB . 16159 1 275 . 1 1 40 40 THR HG21 H 1 1.187 0.004 . 1 . . . . 789 THR HG21 . 16159 1 276 . 1 1 40 40 THR HG22 H 1 1.187 0.004 . 1 . . . . 789 THR HG22 . 16159 1 277 . 1 1 40 40 THR HG23 H 1 1.187 0.004 . 1 . . . . 789 THR HG23 . 16159 1 278 . 1 1 40 40 THR N N 15 117.546 0.037 . 1 . . . . 789 THR N . 16159 1 279 . 1 1 41 41 VAL H H 1 8.174 0.001 . 1 . . . . 790 VAL H . 16159 1 280 . 1 1 41 41 VAL HA H 1 4.140 0.003 . 1 . . . . 790 VAL HA . 16159 1 281 . 1 1 41 41 VAL HB H 1 2.032 0.000 . 1 . . . . 790 VAL HB . 16159 1 282 . 1 1 41 41 VAL HG11 H 1 0.920 0.000 . 1 . . . . 790 VAL HG11 . 16159 1 283 . 1 1 41 41 VAL HG12 H 1 0.920 0.000 . 1 . . . . 790 VAL HG12 . 16159 1 284 . 1 1 41 41 VAL HG13 H 1 0.920 0.000 . 1 . . . . 790 VAL HG13 . 16159 1 285 . 1 1 41 41 VAL HG21 H 1 0.920 0.000 . 1 . . . . 790 VAL HG21 . 16159 1 286 . 1 1 41 41 VAL HG22 H 1 0.920 0.000 . 1 . . . . 790 VAL HG22 . 16159 1 287 . 1 1 41 41 VAL HG23 H 1 0.920 0.000 . 1 . . . . 790 VAL HG23 . 16159 1 288 . 1 1 41 41 VAL N N 15 123.542 0.003 . 1 . . . . 790 VAL N . 16159 1 289 . 1 1 42 42 VAL H H 1 8.250 0.002 . 1 . . . . 791 VAL H . 16159 1 290 . 1 1 42 42 VAL HA H 1 4.092 0.010 . 1 . . . . 791 VAL HA . 16159 1 291 . 1 1 42 42 VAL HB H 1 2.015 0.006 . 1 . . . . 791 VAL HB . 16159 1 292 . 1 1 42 42 VAL HG11 H 1 0.906 0.006 . 1 . . . . 791 VAL HG11 . 16159 1 293 . 1 1 42 42 VAL HG12 H 1 0.906 0.006 . 1 . . . . 791 VAL HG12 . 16159 1 294 . 1 1 42 42 VAL HG13 H 1 0.906 0.006 . 1 . . . . 791 VAL HG13 . 16159 1 295 . 1 1 42 42 VAL HG21 H 1 0.906 0.006 . 1 . . . . 791 VAL HG21 . 16159 1 296 . 1 1 42 42 VAL HG22 H 1 0.906 0.006 . 1 . . . . 791 VAL HG22 . 16159 1 297 . 1 1 42 42 VAL HG23 H 1 0.906 0.006 . 1 . . . . 791 VAL HG23 . 16159 1 298 . 1 1 42 42 VAL N N 15 124.763 0.167 . 1 . . . . 791 VAL N . 16159 1 299 . 1 1 43 43 ASN H H 1 8.533 0.002 . 1 . . . . 792 ASN H . 16159 1 300 . 1 1 43 43 ASN HA H 1 4.974 0.001 . 1 . . . . 792 ASN HA . 16159 1 301 . 1 1 43 43 ASN HB2 H 1 2.690 0.002 . 2 . . . . 792 ASN HB2 . 16159 1 302 . 1 1 43 43 ASN HB3 H 1 2.852 0.006 . 2 . . . . 792 ASN HB3 . 16159 1 303 . 1 1 43 43 ASN HD21 H 1 6.919 0.001 . 1 . . . . 792 ASN HD21 . 16159 1 304 . 1 1 43 43 ASN HD22 H 1 7.627 0.003 . 1 . . . . 792 ASN HD22 . 16159 1 305 . 1 1 43 43 ASN N N 15 123.929 0.037 . 1 . . . . 792 ASN N . 16159 1 306 . 1 1 43 43 ASN ND2 N 15 112.814 0.023 . 1 . . . . 792 ASN ND2 . 16159 1 307 . 1 1 44 44 PRO HB2 H 1 2.245 0.000 . 1 . . . . 793 PRO HB2 . 16159 1 308 . 1 1 44 44 PRO HB3 H 1 2.245 0.000 . 1 . . . . 793 PRO HB3 . 16159 1 309 . 1 1 44 44 PRO HD2 H 1 3.767 0.018 . 1 . . . . 793 PRO HD2 . 16159 1 310 . 1 1 44 44 PRO HD3 H 1 3.767 0.018 . 1 . . . . 793 PRO HD3 . 16159 1 311 . 1 1 44 44 PRO HG2 H 1 1.831 0.000 . 1 . . . . 793 PRO HG2 . 16159 1 312 . 1 1 44 44 PRO HG3 H 1 1.831 0.000 . 1 . . . . 793 PRO HG3 . 16159 1 313 . 1 1 45 45 LYS H H 1 8.180 0.002 . 1 . . . . 794 LYS H . 16159 1 314 . 1 1 45 45 LYS HA H 1 4.231 0.003 . 1 . . . . 794 LYS HA . 16159 1 315 . 1 1 45 45 LYS HB2 H 1 1.686 0.003 . 1 . . . . 794 LYS HB2 . 16159 1 316 . 1 1 45 45 LYS HB3 H 1 1.686 0.003 . 1 . . . . 794 LYS HB3 . 16159 1 317 . 1 1 45 45 LYS HG2 H 1 1.306 0.000 . 2 . . . . 794 LYS HG2 . 16159 1 318 . 1 1 45 45 LYS HG3 H 1 1.368 0.000 . 2 . . . . 794 LYS HG3 . 16159 1 319 . 1 1 45 45 LYS N N 15 120.395 0.025 . 1 . . . . 794 LYS N . 16159 1 320 . 1 1 46 46 TYR H H 1 8.132 0.002 . 1 . . . . 795 TYR H . 16159 1 321 . 1 1 46 46 TYR HA H 1 4.592 0.000 . 1 . . . . 795 TYR HA . 16159 1 322 . 1 1 46 46 TYR HB2 H 1 2.967 0.003 . 2 . . . . 795 TYR HB2 . 16159 1 323 . 1 1 46 46 TYR HB3 H 1 3.053 0.000 . 2 . . . . 795 TYR HB3 . 16159 1 324 . 1 1 46 46 TYR HD1 H 1 7.143 0.000 . 3 . . . . 795 TYR HD1 . 16159 1 325 . 1 1 46 46 TYR HD2 H 1 7.143 0.000 . 3 . . . . 795 TYR HD2 . 16159 1 326 . 1 1 46 46 TYR N N 15 121.554 0.054 . 1 . . . . 795 TYR N . 16159 1 327 . 1 1 47 47 GLU H H 1 8.273 0.004 . 1 . . . . 796 GLU H . 16159 1 328 . 1 1 47 47 GLU HA H 1 4.310 0.002 . 1 . . . . 796 GLU HA . 16159 1 329 . 1 1 47 47 GLU HB2 H 1 1.878 0.000 . 1 . . . . 796 GLU HB2 . 16159 1 330 . 1 1 47 47 GLU HB3 H 1 1.878 0.000 . 1 . . . . 796 GLU HB3 . 16159 1 331 . 1 1 47 47 GLU HG2 H 1 2.068 0.000 . 2 . . . . 796 GLU HG2 . 16159 1 332 . 1 1 47 47 GLU HG3 H 1 2.228 0.000 . 2 . . . . 796 GLU HG3 . 16159 1 333 . 1 1 47 47 GLU N N 15 123.503 0.034 . 1 . . . . 796 GLU N . 16159 1 334 . 1 1 48 48 GLY H H 1 7.765 0.007 . 1 . . . . 797 GLY H . 16159 1 335 . 1 1 48 48 GLY HA2 H 1 3.887 0.001 . 1 . . . . 797 GLY HA2 . 16159 1 336 . 1 1 48 48 GLY HA3 H 1 3.887 0.001 . 1 . . . . 797 GLY HA3 . 16159 1 337 . 1 1 48 48 GLY N N 15 109.569 0.014 . 1 . . . . 797 GLY N . 16159 1 338 . 1 1 49 49 LYS H H 1 7.764 0.005 . 1 . . . . 798 LYS H . 16159 1 339 . 1 1 49 49 LYS HA H 1 4.223 0.000 . 1 . . . . 798 LYS HA . 16159 1 340 . 1 1 49 49 LYS HB2 H 1 1.718 0.000 . 1 . . . . 798 LYS HB2 . 16159 1 341 . 1 1 49 49 LYS HB3 H 1 1.718 0.000 . 1 . . . . 798 LYS HB3 . 16159 1 342 . 1 1 49 49 LYS HD2 H 1 1.872 0.000 . 1 . . . . 798 LYS HD2 . 16159 1 343 . 1 1 49 49 LYS HD3 H 1 1.872 0.000 . 1 . . . . 798 LYS HD3 . 16159 1 344 . 1 1 49 49 LYS HG2 H 1 1.396 0.000 . 1 . . . . 798 LYS HG2 . 16159 1 345 . 1 1 49 49 LYS HG3 H 1 1.396 0.000 . 1 . . . . 798 LYS HG3 . 16159 1 346 . 1 1 49 49 LYS N N 15 125.440 0.018 . 1 . . . . 798 LYS N . 16159 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 16159 _Assigned_chem_shift_list.ID 2 _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 1 '2D 1H-15N HSQC' . . . 16159 2 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 3 3 LYS H H 1 8.488 0.000 . 1 . . . . 752 K HN . 16159 2 2 . 1 1 3 3 LYS N N 15 122.328 0.000 . 1 . . . . 752 K N . 16159 2 3 . 1 1 4 4 LEU H H 1 8.269 0.000 . 1 . . . . 753 L HN . 16159 2 4 . 1 1 4 4 LEU N N 15 124.262 0.000 . 1 . . . . 753 L N . 16159 2 5 . 1 1 5 5 LEU H H 1 8.222 0.000 . 1 . . . . 754 L HN . 16159 2 6 . 1 1 5 5 LEU N N 15 123.560 0.000 . 1 . . . . 754 L N . 16159 2 7 . 1 1 6 6 MET H H 1 8.263 0.000 . 1 . . . . 755 M HN . 16159 2 8 . 1 1 6 6 MET N N 15 121.864 0.000 . 1 . . . . 755 M N . 16159 2 9 . 1 1 7 7 ILE H H 1 8.126 0.000 . 1 . . . . 756 I HN . 16159 2 10 . 1 1 7 7 ILE N N 15 123.117 0.000 . 1 . . . . 756 I N . 16159 2 11 . 1 1 8 8 ILE H H 1 8.193 0.000 . 1 . . . . 757 I HN . 16159 2 12 . 1 1 8 8 ILE N N 15 125.403 0.000 . 1 . . . . 757 I N . 16159 2 13 . 1 1 9 9 HIS H H 1 8.528 0.000 . 1 . . . . 758 H HN . 16159 2 14 . 1 1 9 9 HIS N N 15 123.710 0.000 . 1 . . . . 758 H N . 16159 2 15 . 1 1 10 10 ASP H H 1 8.363 0.000 . 1 . . . . 759 D HN . 16159 2 16 . 1 1 10 10 ASP N N 15 121.944 0.000 . 1 . . . . 759 D N . 16159 2 17 . 1 1 11 11 ARG H H 1 8.466 0.000 . 1 . . . . 760 R HN . 16159 2 18 . 1 1 11 11 ARG N N 15 122.427 0.000 . 1 . . . . 760 R N . 16159 2 19 . 1 1 12 12 ARG H H 1 8.420 0.000 . 1 . . . . 761 R HN . 16159 2 20 . 1 1 12 12 ARG N N 15 121.742 0.000 . 1 . . . . 761 R N . 16159 2 21 . 1 1 13 13 GLU H H 1 8.350 0.000 . 1 . . . . 762 E HN . 16159 2 22 . 1 1 13 13 GLU N N 15 120.893 0.000 . 1 . . . . 762 E N . 16159 2 23 . 1 1 14 14 PHE H H 1 8.103 0.000 . 1 . . . . 763 F HN . 16159 2 24 . 1 1 14 14 PHE N N 15 120.307 0.000 . 1 . . . . 763 F N . 16159 2 25 . 1 1 15 15 ALA H H 1 8.135 0.000 . 1 . . . . 764 A HN . 16159 2 26 . 1 1 15 15 ALA N N 15 124.283 0.000 . 1 . . . . 764 A N . 16159 2 27 . 1 1 16 16 LYS H H 1 8.023 0.000 . 1 . . . . 765 K HN . 16159 2 28 . 1 1 16 16 LYS N N 15 119.744 0.000 . 1 . . . . 765 K N . 16159 2 29 . 1 1 17 17 PHE H H 1 8.068 0.000 . 1 . . . . 766 F HN . 16159 2 30 . 1 1 17 17 PHE N N 15 120.170 0.000 . 1 . . . . 766 F N . 16159 2 31 . 1 1 18 18 GLU H H 1 8.196 0.000 . 1 . . . . 767 E HN . 16159 2 32 . 1 1 18 18 GLU N N 15 122.025 0.000 . 1 . . . . 767 E N . 16159 2 33 . 1 1 19 19 LYS H H 1 8.179 0.000 . 1 . . . . 768 K HN . 16159 2 34 . 1 1 19 19 LYS N N 15 121.619 0.000 . 1 . . . . 768 K N . 16159 2 35 . 1 1 20 20 GLU H H 1 8.364 0.000 . 1 . . . . 769 E HN . 16159 2 36 . 1 1 20 20 GLU N N 15 120.498 0.000 . 1 . . . . 769 E N . 16159 2 37 . 1 1 21 21 LYS H H 1 8.104 0.000 . 1 . . . . 770 K HN . 16159 2 38 . 1 1 21 21 LYS N N 15 121.047 0.000 . 1 . . . . 770 K N . 16159 2 39 . 1 1 22 22 MET H H 1 8.165 0.000 . 1 . . . . 771 M HN . 16159 2 40 . 1 1 22 22 MET N N 15 120.282 0.000 . 1 . . . . 771 M N . 16159 2 41 . 1 1 23 23 ASN H H 1 8.285 0.000 . 1 . . . . 772 N HN . 16159 2 42 . 1 1 23 23 ASN HD21 H 1 7.584 0.000 . 2 . . . . 772 N HD21 . 16159 2 43 . 1 1 23 23 ASN HD22 H 1 6.892 0.000 . 2 . . . . 772 N HD22 . 16159 2 44 . 1 1 23 23 ASN N N 15 119.448 0.000 . 1 . . . . 772 N N . 16159 2 45 . 1 1 23 23 ASN ND2 N 15 112.908 0.002 . 1 . . . . 772 N ND2 . 16159 2 46 . 1 1 24 24 ALA H H 1 8.109 0.000 . 1 . . . . 773 A HN . 16159 2 47 . 1 1 24 24 ALA N N 15 124.231 0.000 . 1 . . . . 773 A N . 16159 2 48 . 1 1 25 25 LYS H H 1 8.101 0.000 . 1 . . . . 774 K HN . 16159 2 49 . 1 1 25 25 LYS N N 15 119.674 0.000 . 1 . . . . 774 K N . 16159 2 50 . 1 1 26 26 TRP H H 1 7.957 0.000 . 1 . . . . 775 W HN . 16159 2 51 . 1 1 26 26 TRP HE1 H 1 10.128 0.000 . 1 . . . . 775 W HE1 . 16159 2 52 . 1 1 26 26 TRP N N 15 121.321 0.000 . 1 . . . . 775 W N . 16159 2 53 . 1 1 26 26 TRP NE1 N 15 129.475 0.000 . 1 . . . . 775 W NE1 . 16159 2 54 . 1 1 27 27 ASP H H 1 8.241 0.000 . 1 . . . . 776 D HN . 16159 2 55 . 1 1 27 27 ASP N N 15 122.187 0.000 . 1 . . . . 776 D N . 16159 2 56 . 1 1 28 28 THR H H 1 8.084 0.000 . 1 . . . . 777 T HN . 16159 2 57 . 1 1 28 28 THR N N 15 113.729 0.000 . 1 . . . . 777 T N . 16159 2 58 . 1 1 29 29 GLY H H 1 8.431 0.000 . 1 . . . . 778 G HN . 16159 2 59 . 1 1 29 29 GLY N N 15 110.931 0.000 . 1 . . . . 778 G N . 16159 2 60 . 1 1 30 30 GLU H H 1 8.155 0.000 . 1 . . . . 779 E HN . 16159 2 61 . 1 1 30 30 GLU N N 15 120.044 0.000 . 1 . . . . 779 E N . 16159 2 62 . 1 1 31 31 ASN H H 1 8.444 0.000 . 1 . . . . 780 N HN . 16159 2 63 . 1 1 31 31 ASN HD21 H 1 7.627 0.000 . 2 . . . . 780 N HD21 . 16159 2 64 . 1 1 31 31 ASN HD22 H 1 6.908 0.000 . 2 . . . . 780 N HD22 . 16159 2 65 . 1 1 31 31 ASN N N 15 120.911 0.000 . 1 . . . . 780 N N . 16159 2 66 . 1 1 31 31 ASN ND2 N 15 113.334 0.000 . 1 . . . . 780 N ND2 . 16159 2 67 . 1 1 33 33 ILE H H 1 7.999 0.000 . 1 . . . . 782 I HN . 16159 2 68 . 1 1 33 33 ILE N N 15 119.512 0.000 . 1 . . . . 782 I N . 16159 2 69 . 1 1 34 34 TYR H H 1 7.947 0.000 . 1 . . . . 783 Y HN . 16159 2 70 . 1 1 34 34 TYR N N 15 123.048 0.000 . 1 . . . . 783 Y N . 16159 2 71 . 1 1 35 35 LYS H H 1 8.030 0.000 . 1 . . . . 784 K HN . 16159 2 72 . 1 1 35 35 LYS N N 15 123.197 0.000 . 1 . . . . 784 K N . 16159 2 73 . 1 1 36 36 SER H H 1 8.200 0.000 . 1 . . . . 785 S HN . 16159 2 74 . 1 1 36 36 SER N N 15 117.105 0.000 . 1 . . . . 785 S N . 16159 2 75 . 1 1 37 37 ALA H H 1 8.344 0.000 . 1 . . . . 786 A HN . 16159 2 76 . 1 1 37 37 ALA N N 15 126.250 0.000 . 1 . . . . 786 A N . 16159 2 77 . 1 1 38 38 VAL H H 1 8.112 0.000 . 1 . . . . 787 V HN . 16159 2 78 . 1 1 38 38 VAL N N 15 119.191 0.000 . 1 . . . . 787 V N . 16159 2 79 . 1 1 39 39 THR H H 1 8.247 0.000 . 1 . . . . 788 T HN . 16159 2 80 . 1 1 39 39 THR N N 15 118.283 0.000 . 1 . . . . 788 T N . 16159 2 81 . 1 1 40 40 THR H H 1 8.161 0.000 . 1 . . . . 789 T HN . 16159 2 82 . 1 1 40 40 THR N N 15 117.749 0.000 . 1 . . . . 789 T N . 16159 2 83 . 1 1 41 41 VAL H H 1 8.196 0.000 . 1 . . . . 790 V HN . 16159 2 84 . 1 1 41 41 VAL N N 15 123.745 0.000 . 1 . . . . 790 V N . 16159 2 85 . 1 1 42 42 VAL H H 1 8.274 0.000 . 1 . . . . 791 V HN . 16159 2 86 . 1 1 42 42 VAL N N 15 125.083 0.000 . 1 . . . . 791 V N . 16159 2 87 . 1 1 43 43 ASN H H 1 8.561 0.000 . 1 . . . . 792 N HN . 16159 2 88 . 1 1 43 43 ASN HD21 H 1 7.652 0.000 . 2 . . . . 792 N HD21 . 16159 2 89 . 1 1 43 43 ASN HD22 H 1 6.939 0.000 . 2 . . . . 792 N HD22 . 16159 2 90 . 1 1 43 43 ASN N N 15 124.097 0.000 . 1 . . . . 792 N N . 16159 2 91 . 1 1 43 43 ASN ND2 N 15 113.042 0.002 . 1 . . . . 792 N ND2 . 16159 2 92 . 1 1 45 45 LYS H H 1 8.203 0.000 . 1 . . . . 794 K HN . 16159 2 93 . 1 1 45 45 LYS N N 15 120.530 0.000 . 1 . . . . 794 K N . 16159 2 94 . 1 1 46 46 TYR H H 1 8.137 0.000 . 1 . . . . 795 Y HN . 16159 2 95 . 1 1 46 46 TYR N N 15 121.553 0.000 . 1 . . . . 795 Y N . 16159 2 96 . 1 1 47 47 GLU H H 1 8.293 0.000 . 1 . . . . 796 E HN . 16159 2 97 . 1 1 47 47 GLU N N 15 123.731 0.000 . 1 . . . . 796 E N . 16159 2 98 . 1 1 48 48 GLY H H 1 7.796 0.000 . 1 . . . . 797 G HN . 16159 2 99 . 1 1 48 48 GLY N N 15 109.819 0.000 . 1 . . . . 797 G N . 16159 2 100 . 1 1 49 49 LYS H H 1 7.781 0.000 . 1 . . . . 798 K HN . 16159 2 101 . 1 1 49 49 LYS N N 15 125.610 0.000 . 1 . . . . 798 K N . 16159 2 stop_ save_