################################### # 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 30439 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-1H TOCSY' . . . 30439 1 2 '2D 1H-1H NOESY' . . . 30439 1 3 '2D 1H-15N HSQC' . . . 30439 1 4 '2D 1H-13C HSQC' . . . 30439 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 PRO HA H 1 4.414 0.002 . . . . . . A 1 PRO HA . 30439 1 2 . 1 . 1 1 1 PRO HB2 H 1 2.474 0.001 . . . . . . A 1 PRO HB2 . 30439 1 3 . 1 . 1 1 1 PRO HB3 H 1 2.010 0.000 . . . . . . A 1 PRO HB3 . 30439 1 4 . 1 . 1 1 1 PRO HG2 H 1 2.099 0.001 . . . . . . A 1 PRO HG2 . 30439 1 5 . 1 . 1 1 1 PRO HG3 H 1 2.058 0.001 . . . . . . A 1 PRO HG3 . 30439 1 6 . 1 . 1 1 1 PRO HD2 H 1 3.423 0.005 . . . . . . A 1 PRO HD2 . 30439 1 7 . 1 . 1 1 1 PRO HD3 H 1 3.390 0.001 . . . . . . A 1 PRO HD3 . 30439 1 8 . 1 . 1 1 1 PRO CA C 13 65.535 0.000 . . . . . . A 1 PRO CA . 30439 1 9 . 1 . 1 1 1 PRO CB C 13 35.551 0.000 . . . . . . A 1 PRO CB . 30439 1 10 . 1 . 1 2 2 MET H H 1 8.807 0.004 . . . . . . A 2 MET H . 30439 1 11 . 1 . 1 2 2 MET HA H 1 4.451 0.001 . . . . . . A 2 MET HA . 30439 1 12 . 1 . 1 2 2 MET HB2 H 1 2.067 0.011 . . . . . . A 2 MET HB2 . 30439 1 13 . 1 . 1 2 2 MET HB3 H 1 2.048 0.022 . . . . . . A 2 MET HB3 . 30439 1 14 . 1 . 1 2 2 MET HG2 H 1 2.583 0.002 . . . . . . A 2 MET HG2 . 30439 1 15 . 1 . 1 2 2 MET HE1 H 1 2.073 0.003 . . . . . . A 2 MET HE1 . 30439 1 16 . 1 . 1 2 2 MET HE2 H 1 2.073 0.003 . . . . . . A 2 MET HE2 . 30439 1 17 . 1 . 1 2 2 MET HE3 H 1 2.073 0.003 . . . . . . A 2 MET HE3 . 30439 1 18 . 1 . 1 2 2 MET CA C 13 59.857 0.000 . . . . . . A 2 MET CA . 30439 1 19 . 1 . 1 2 2 MET CB C 13 29.661 0.032 . . . . . . A 2 MET CB . 30439 1 20 . 1 . 1 2 2 MET CG C 13 35.179 0.000 . . . . . . A 2 MET CG . 30439 1 21 . 1 . 1 2 2 MET CE C 13 19.900 0.000 . . . . . . A 2 MET CE . 30439 1 22 . 1 . 1 2 2 MET N N 15 121.101 0.000 . . . . . . A 2 MET N . 30439 1 23 . 1 . 1 3 3 LYS H H 1 8.451 0.001 . . . . . . A 3 LYS H . 30439 1 24 . 1 . 1 3 3 LYS HA H 1 4.153 0.002 . . . . . . A 3 LYS HA . 30439 1 25 . 1 . 1 3 3 LYS HB2 H 1 1.762 0.007 . . . . . . A 3 LYS HB2 . 30439 1 26 . 1 . 1 3 3 LYS HB3 H 1 1.827 0.009 . . . . . . A 3 LYS HB3 . 30439 1 27 . 1 . 1 3 3 LYS HG2 H 1 1.478 0.001 . . . . . . A 3 LYS HG2 . 30439 1 28 . 1 . 1 3 3 LYS HG3 H 1 1.387 0.002 . . . . . . A 3 LYS HG3 . 30439 1 29 . 1 . 1 3 3 LYS HD2 H 1 1.679 0.001 . . . . . . A 3 LYS HD2 . 30439 1 30 . 1 . 1 3 3 LYS HD3 H 1 1.694 0.001 . . . . . . A 3 LYS HD3 . 30439 1 31 . 1 . 1 3 3 LYS HE2 H 1 2.961 0.001 . . . . . . A 3 LYS HE2 . 30439 1 32 . 1 . 1 3 3 LYS HE3 H 1 2.944 0.001 . . . . . . A 3 LYS HE3 . 30439 1 33 . 1 . 1 3 3 LYS CA C 13 61.352 0.000 . . . . . . A 3 LYS CA . 30439 1 34 . 1 . 1 3 3 LYS CB C 13 35.838 0.006 . . . . . . A 3 LYS CB . 30439 1 35 . 1 . 1 3 3 LYS CG C 13 28.284 0.008 . . . . . . A 3 LYS CG . 30439 1 36 . 1 . 1 3 3 LYS CD C 13 30.405 0.022 . . . . . . A 3 LYS CD . 30439 1 37 . 1 . 1 3 3 LYS CE C 13 45.297 0.002 . . . . . . A 3 LYS CE . 30439 1 38 . 1 . 1 3 3 LYS N N 15 121.558 0.000 . . . . . . A 3 LYS N . 30439 1 39 . 1 . 1 4 4 LEU H H 1 7.782 0.002 . . . . . . A 4 LEU H . 30439 1 40 . 1 . 1 4 4 LEU HA H 1 4.228 0.002 . . . . . . A 4 LEU HA . 30439 1 41 . 1 . 1 4 4 LEU HB2 H 1 1.629 0.001 . . . . . . A 4 LEU HB2 . 30439 1 42 . 1 . 1 4 4 LEU HB3 H 1 1.621 0.001 . . . . . . A 4 LEU HB3 . 30439 1 43 . 1 . 1 4 4 LEU HG H 1 1.577 0.002 . . . . . . A 4 LEU HG . 30439 1 44 . 1 . 1 4 4 LEU HD11 H 1 0.909 0.002 . . . . . . A 4 LEU HD11 . 30439 1 45 . 1 . 1 4 4 LEU HD12 H 1 0.909 0.002 . . . . . . A 4 LEU HD12 . 30439 1 46 . 1 . 1 4 4 LEU HD13 H 1 0.909 0.002 . . . . . . A 4 LEU HD13 . 30439 1 47 . 1 . 1 4 4 LEU HD21 H 1 0.862 0.002 . . . . . . A 4 LEU HD21 . 30439 1 48 . 1 . 1 4 4 LEU HD22 H 1 0.862 0.002 . . . . . . A 4 LEU HD22 . 30439 1 49 . 1 . 1 4 4 LEU HD23 H 1 0.862 0.002 . . . . . . A 4 LEU HD23 . 30439 1 50 . 1 . 1 4 4 LEU CA C 13 59.620 0.000 . . . . . . A 4 LEU CA . 30439 1 51 . 1 . 1 4 4 LEU CB C 13 45.573 0.008 . . . . . . A 4 LEU CB . 30439 1 52 . 1 . 1 4 4 LEU CG C 13 26.964 0.000 . . . . . . A 4 LEU CG . 30439 1 53 . 1 . 1 4 4 LEU CD1 C 13 27.179 0.000 . . . . . . A 4 LEU CD1 . 30439 1 54 . 1 . 1 4 4 LEU CD2 C 13 26.237 0.000 . . . . . . A 4 LEU CD2 . 30439 1 55 . 1 . 1 4 4 LEU N N 15 120.307 0.000 . . . . . . A 4 LEU N . 30439 1 56 . 1 . 1 5 5 LEU H H 1 7.661 0.003 . . . . . . A 5 LEU H . 30439 1 57 . 1 . 1 5 5 LEU HA H 1 4.158 0.004 . . . . . . A 5 LEU HA . 30439 1 58 . 1 . 1 5 5 LEU HB2 H 1 1.706 0.002 . . . . . . A 5 LEU HB2 . 30439 1 59 . 1 . 1 5 5 LEU HB3 H 1 1.695 0.000 . . . . . . A 5 LEU HB3 . 30439 1 60 . 1 . 1 5 5 LEU HG H 1 1.604 0.001 . . . . . . A 5 LEU HG . 30439 1 61 . 1 . 1 5 5 LEU HD11 H 1 0.909 0.015 . . . . . . A 5 LEU HD11 . 30439 1 62 . 1 . 1 5 5 LEU HD12 H 1 0.909 0.015 . . . . . . A 5 LEU HD12 . 30439 1 63 . 1 . 1 5 5 LEU HD13 H 1 0.909 0.015 . . . . . . A 5 LEU HD13 . 30439 1 64 . 1 . 1 5 5 LEU HD21 H 1 0.845 0.000 . . . . . . A 5 LEU HD21 . 30439 1 65 . 1 . 1 5 5 LEU HD22 H 1 0.845 0.000 . . . . . . A 5 LEU HD22 . 30439 1 66 . 1 . 1 5 5 LEU HD23 H 1 0.845 0.000 . . . . . . A 5 LEU HD23 . 30439 1 67 . 1 . 1 5 5 LEU CA C 13 60.119 0.000 . . . . . . A 5 LEU CA . 30439 1 68 . 1 . 1 5 5 LEU CB C 13 45.227 0.000 . . . . . . A 5 LEU CB . 30439 1 69 . 1 . 1 5 5 LEU CG C 13 26.676 0.000 . . . . . . A 5 LEU CG . 30439 1 70 . 1 . 1 5 5 LEU CD1 C 13 27.397 0.000 . . . . . . A 5 LEU CD1 . 30439 1 71 . 1 . 1 5 5 LEU CD2 C 13 26.519 0.000 . . . . . . A 5 LEU CD2 . 30439 1 72 . 1 . 1 5 5 LEU N N 15 119.672 0.000 . . . . . . A 5 LEU N . 30439 1 73 . 1 . 1 6 6 LYS H H 1 7.917 0.001 . . . . . . A 6 LYS H . 30439 1 74 . 1 . 1 6 6 LYS HA H 1 4.122 0.000 . . . . . . A 6 LYS HA . 30439 1 75 . 1 . 1 6 6 LYS HB2 H 1 1.866 0.002 . . . . . . A 6 LYS HB2 . 30439 1 76 . 1 . 1 6 6 LYS HB3 H 1 1.810 0.000 . . . . . . A 6 LYS HB3 . 30439 1 77 . 1 . 1 6 6 LYS HG2 H 1 1.499 0.000 . . . . . . A 6 LYS HG2 . 30439 1 78 . 1 . 1 6 6 LYS HG3 H 1 1.419 0.000 . . . . . . A 6 LYS HG3 . 30439 1 79 . 1 . 1 6 6 LYS HD2 H 1 1.673 0.001 . . . . . . A 6 LYS HD2 . 30439 1 80 . 1 . 1 6 6 LYS HD3 H 1 1.685 0.000 . . . . . . A 6 LYS HD3 . 30439 1 81 . 1 . 1 6 6 LYS HE2 H 1 2.946 0.000 . . . . . . A 6 LYS HE2 . 30439 1 82 . 1 . 1 6 6 LYS HE3 H 1 2.959 0.000 . . . . . . A 6 LYS HE3 . 30439 1 83 . 1 . 1 6 6 LYS CA C 13 61.245 0.000 . . . . . . A 6 LYS CA . 30439 1 84 . 1 . 1 6 6 LYS CB C 13 36.240 0.005 . . . . . . A 6 LYS CB . 30439 1 85 . 1 . 1 6 6 LYS CG C 13 28.492 0.005 . . . . . . A 6 LYS CG . 30439 1 86 . 1 . 1 6 6 LYS CD C 13 30.126 0.001 . . . . . . A 6 LYS CD . 30439 1 87 . 1 . 1 6 6 LYS CE C 13 45.529 0.003 . . . . . . A 6 LYS CE . 30439 1 88 . 1 . 1 6 6 LYS N N 15 118.783 0.000 . . . . . . A 6 LYS N . 30439 1 89 . 1 . 1 7 7 ARG H H 1 7.860 0.001 . . . . . . A 7 ARG H . 30439 1 90 . 1 . 1 7 7 ARG HA H 1 4.206 0.005 . . . . . . A 7 ARG HA . 30439 1 91 . 1 . 1 7 7 ARG HB2 H 1 1.887 0.005 . . . . . . A 7 ARG HB2 . 30439 1 92 . 1 . 1 7 7 ARG HB3 H 1 1.706 0.001 . . . . . . A 7 ARG HB3 . 30439 1 93 . 1 . 1 7 7 ARG HG2 H 1 1.616 0.005 . . . . . . A 7 ARG HG2 . 30439 1 94 . 1 . 1 7 7 ARG HG3 H 1 1.636 0.009 . . . . . . A 7 ARG HG3 . 30439 1 95 . 1 . 1 7 7 ARG HD2 H 1 3.166 0.010 . . . . . . A 7 ARG HD2 . 30439 1 96 . 1 . 1 7 7 ARG HD3 H 1 3.142 0.004 . . . . . . A 7 ARG HD3 . 30439 1 97 . 1 . 1 7 7 ARG HE H 1 7.208 0.001 . . . . . . A 7 ARG HE . 30439 1 98 . 1 . 1 7 7 ARG CA C 13 56.195 0.000 . . . . . . A 7 ARG CA . 30439 1 99 . 1 . 1 7 7 ARG CB C 13 30.559 0.003 . . . . . . A 7 ARG CB . 30439 1 100 . 1 . 1 7 7 ARG CG C 13 30.160 0.003 . . . . . . A 7 ARG CG . 30439 1 101 . 1 . 1 7 7 ARG CD C 13 46.231 0.013 . . . . . . A 7 ARG CD . 30439 1 102 . 1 . 1 7 7 ARG N N 15 118.924 0.000 . . . . . . A 7 ARG N . 30439 1 103 . 1 . 1 8 8 LEU H H 1 8.063 0.001 . . . . . . A 8 LEU H . 30439 1 104 . 1 . 1 8 8 LEU HA H 1 4.250 0.005 . . . . . . A 8 LEU HA . 30439 1 105 . 1 . 1 8 8 LEU HB2 H 1 1.691 0.003 . . . . . . A 8 LEU HB2 . 30439 1 106 . 1 . 1 8 8 LEU HB3 H 1 1.717 0.000 . . . . . . A 8 LEU HB3 . 30439 1 107 . 1 . 1 8 8 LEU HG H 1 1.604 0.001 . . . . . . A 8 LEU HG . 30439 1 108 . 1 . 1 8 8 LEU HD11 H 1 0.890 0.003 . . . . . . A 8 LEU HD11 . 30439 1 109 . 1 . 1 8 8 LEU HD12 H 1 0.890 0.003 . . . . . . A 8 LEU HD12 . 30439 1 110 . 1 . 1 8 8 LEU HD13 H 1 0.890 0.003 . . . . . . A 8 LEU HD13 . 30439 1 111 . 1 . 1 8 8 LEU HD21 H 1 0.829 0.003 . . . . . . A 8 LEU HD21 . 30439 1 112 . 1 . 1 8 8 LEU HD22 H 1 0.829 0.003 . . . . . . A 8 LEU HD22 . 30439 1 113 . 1 . 1 8 8 LEU HD23 H 1 0.829 0.003 . . . . . . A 8 LEU HD23 . 30439 1 114 . 1 . 1 8 8 LEU CA C 13 59.624 0.000 . . . . . . A 8 LEU CA . 30439 1 115 . 1 . 1 8 8 LEU CB C 13 45.638 0.006 . . . . . . A 8 LEU CB . 30439 1 116 . 1 . 1 8 8 LEU CG C 13 27.053 0.000 . . . . . . A 8 LEU CG . 30439 1 117 . 1 . 1 8 8 LEU CD1 C 13 27.530 0.000 . . . . . . A 8 LEU CD1 . 30439 1 118 . 1 . 1 8 8 LEU CD2 C 13 26.023 0.000 . . . . . . A 8 LEU CD2 . 30439 1 119 . 1 . 1 8 8 LEU N N 15 120.348 0.000 . . . . . . A 8 LEU N . 30439 1 120 . 1 . 1 9 9 GLY H H 1 8.137 0.001 . . . . . . A 9 GLY H . 30439 1 121 . 1 . 1 9 9 GLY HA2 H 1 3.889 0.015 . . . . . . A 9 GLY HA2 . 30439 1 122 . 1 . 1 9 9 GLY HA3 H 1 3.820 0.001 . . . . . . A 9 GLY HA3 . 30439 1 123 . 1 . 1 9 9 GLY CA C 13 49.734 0.037 . . . . . . A 9 GLY CA . 30439 1 124 . 1 . 1 9 9 GLY N N 15 106.621 0.000 . . . . . . A 9 GLY N . 30439 1 125 . 1 . 1 10 10 LYS H H 1 7.937 0.001 . . . . . . A 10 LYS H . 30439 1 126 . 1 . 1 10 10 LYS HA H 1 4.138 0.000 . . . . . . A 10 LYS HA . 30439 1 127 . 1 . 1 10 10 LYS HB2 H 1 1.893 0.003 . . . . . . A 10 LYS HB2 . 30439 1 128 . 1 . 1 10 10 LYS HB3 H 1 1.831 0.000 . . . . . . A 10 LYS HB3 . 30439 1 129 . 1 . 1 10 10 LYS HG2 H 1 1.419 0.000 . . . . . . A 10 LYS HG2 . 30439 1 130 . 1 . 1 10 10 LYS HG3 H 1 1.500 0.000 . . . . . . A 10 LYS HG3 . 30439 1 131 . 1 . 1 10 10 LYS HD2 H 1 1.695 0.000 . . . . . . A 10 LYS HD2 . 30439 1 132 . 1 . 1 10 10 LYS HD3 H 1 1.705 0.007 . . . . . . A 10 LYS HD3 . 30439 1 133 . 1 . 1 10 10 LYS HE2 H 1 2.948 0.000 . . . . . . A 10 LYS HE2 . 30439 1 134 . 1 . 1 10 10 LYS HE3 H 1 2.959 0.000 . . . . . . A 10 LYS HE3 . 30439 1 135 . 1 . 1 10 10 LYS CA C 13 61.788 0.000 . . . . . . A 10 LYS CA . 30439 1 136 . 1 . 1 10 10 LYS CB C 13 36.000 0.002 . . . . . . A 10 LYS CB . 30439 1 137 . 1 . 1 10 10 LYS CG C 13 28.372 0.001 . . . . . . A 10 LYS CG . 30439 1 138 . 1 . 1 10 10 LYS CD C 13 30.009 0.002 . . . . . . A 10 LYS CD . 30439 1 139 . 1 . 1 10 10 LYS CE C 13 45.055 0.005 . . . . . . A 10 LYS CE . 30439 1 140 . 1 . 1 10 10 LYS N N 15 120.822 0.000 . . . . . . A 10 LYS N . 30439 1 141 . 1 . 1 11 11 LYS H H 1 7.930 0.000 . . . . . . A 11 LYS H . 30439 1 142 . 1 . 1 11 11 LYS HA H 1 4.160 0.000 . . . . . . A 11 LYS HA . 30439 1 143 . 1 . 1 11 11 LYS HB2 H 1 1.820 0.001 . . . . . . A 11 LYS HB2 . 30439 1 144 . 1 . 1 11 11 LYS HB3 H 1 1.907 0.000 . . . . . . A 11 LYS HB3 . 30439 1 145 . 1 . 1 11 11 LYS HG2 H 1 1.419 0.000 . . . . . . A 11 LYS HG2 . 30439 1 146 . 1 . 1 11 11 LYS HG3 H 1 1.501 0.000 . . . . . . A 11 LYS HG3 . 30439 1 147 . 1 . 1 11 11 LYS HD2 H 1 1.698 0.006 . . . . . . A 11 LYS HD2 . 30439 1 148 . 1 . 1 11 11 LYS HD3 H 1 1.709 0.000 . . . . . . A 11 LYS HD3 . 30439 1 149 . 1 . 1 11 11 LYS HE2 H 1 2.935 0.000 . . . . . . A 11 LYS HE2 . 30439 1 150 . 1 . 1 11 11 LYS HE3 H 1 2.964 0.000 . . . . . . A 11 LYS HE3 . 30439 1 151 . 1 . 1 11 11 LYS CA C 13 61.479 0.000 . . . . . . A 11 LYS CA . 30439 1 152 . 1 . 1 11 11 LYS CB C 13 35.888 0.000 . . . . . . A 11 LYS CB . 30439 1 153 . 1 . 1 11 11 LYS CG C 13 28.197 0.002 . . . . . . A 11 LYS CG . 30439 1 154 . 1 . 1 11 11 LYS CD C 13 30.324 0.001 . . . . . . A 11 LYS CD . 30439 1 155 . 1 . 1 11 11 LYS CE C 13 45.421 0.004 . . . . . . A 11 LYS CE . 30439 1 156 . 1 . 1 11 11 LYS N N 15 119.429 0.000 . . . . . . A 11 LYS N . 30439 1 157 . 1 . 1 12 12 ILE H H 1 7.952 0.001 . . . . . . A 12 ILE H . 30439 1 158 . 1 . 1 12 12 ILE HA H 1 3.946 0.006 . . . . . . A 12 ILE HA . 30439 1 159 . 1 . 1 12 12 ILE HB H 1 1.845 0.002 . . . . . . A 12 ILE HB . 30439 1 160 . 1 . 1 12 12 ILE HG12 H 1 1.149 0.002 . . . . . . A 12 ILE HG12 . 30439 1 161 . 1 . 1 12 12 ILE HG13 H 1 1.543 0.002 . . . . . . A 12 ILE HG13 . 30439 1 162 . 1 . 1 12 12 ILE HG21 H 1 0.888 0.002 . . . . . . A 12 ILE HG21 . 30439 1 163 . 1 . 1 12 12 ILE HG22 H 1 0.888 0.002 . . . . . . A 12 ILE HG22 . 30439 1 164 . 1 . 1 12 12 ILE HG23 H 1 0.888 0.002 . . . . . . A 12 ILE HG23 . 30439 1 165 . 1 . 1 12 12 ILE HD11 H 1 0.826 0.002 . . . . . . A 12 ILE HD11 . 30439 1 166 . 1 . 1 12 12 ILE HD12 H 1 0.826 0.002 . . . . . . A 12 ILE HD12 . 30439 1 167 . 1 . 1 12 12 ILE HD13 H 1 0.826 0.002 . . . . . . A 12 ILE HD13 . 30439 1 168 . 1 . 1 12 12 ILE CA C 13 65.489 0.000 . . . . . . A 12 ILE CA . 30439 1 169 . 1 . 1 12 12 ILE CB C 13 41.930 0.000 . . . . . . A 12 ILE CB . 30439 1 170 . 1 . 1 12 12 ILE CG1 C 13 31.244 0.021 . . . . . . A 12 ILE CG1 . 30439 1 171 . 1 . 1 12 12 ILE CG2 C 13 20.222 0.000 . . . . . . A 12 ILE CG2 . 30439 1 172 . 1 . 1 12 12 ILE CD1 C 13 15.905 0.000 . . . . . . A 12 ILE CD1 . 30439 1 173 . 1 . 1 12 12 ILE N N 15 119.206 0.000 . . . . . . A 12 ILE N . 30439 1 174 . 1 . 1 13 13 ARG H H 1 7.885 0.001 . . . . . . A 13 ARG H . 30439 1 175 . 1 . 1 13 13 ARG HA H 1 4.158 0.003 . . . . . . A 13 ARG HA . 30439 1 176 . 1 . 1 13 13 ARG HB2 H 1 1.702 0.001 . . . . . . A 13 ARG HB2 . 30439 1 177 . 1 . 1 13 13 ARG HB3 H 1 1.840 0.003 . . . . . . A 13 ARG HB3 . 30439 1 178 . 1 . 1 13 13 ARG HG2 H 1 1.581 0.002 . . . . . . A 13 ARG HG2 . 30439 1 179 . 1 . 1 13 13 ARG HG3 H 1 1.611 0.006 . . . . . . A 13 ARG HG3 . 30439 1 180 . 1 . 1 13 13 ARG HD2 H 1 3.172 0.005 . . . . . . A 13 ARG HD2 . 30439 1 181 . 1 . 1 13 13 ARG HD3 H 1 3.136 0.003 . . . . . . A 13 ARG HD3 . 30439 1 182 . 1 . 1 13 13 ARG HE H 1 7.161 0.001 . . . . . . A 13 ARG HE . 30439 1 183 . 1 . 1 13 13 ARG CA C 13 56.945 0.000 . . . . . . A 13 ARG CA . 30439 1 184 . 1 . 1 13 13 ARG CB C 13 30.575 0.000 . . . . . . A 13 ARG CB . 30439 1 185 . 1 . 1 13 13 ARG CG C 13 30.288 0.001 . . . . . . A 13 ARG CG . 30439 1 186 . 1 . 1 13 13 ARG CD C 13 46.544 0.004 . . . . . . A 13 ARG CD . 30439 1 187 . 1 . 1 13 13 ARG N N 15 121.013 0.000 . . . . . . A 13 ARG N . 30439 1 188 . 1 . 1 14 14 LEU H H 1 7.936 0.001 . . . . . . A 14 LEU H . 30439 1 189 . 1 . 1 14 14 LEU HA H 1 4.240 0.003 . . . . . . A 14 LEU HA . 30439 1 190 . 1 . 1 14 14 LEU HB2 H 1 1.679 0.000 . . . . . . A 14 LEU HB2 . 30439 1 191 . 1 . 1 14 14 LEU HB3 H 1 1.735 0.001 . . . . . . A 14 LEU HB3 . 30439 1 192 . 1 . 1 14 14 LEU HG H 1 1.596 0.001 . . . . . . A 14 LEU HG . 30439 1 193 . 1 . 1 14 14 LEU HD11 H 1 0.900 0.001 . . . . . . A 14 LEU HD11 . 30439 1 194 . 1 . 1 14 14 LEU HD12 H 1 0.900 0.001 . . . . . . A 14 LEU HD12 . 30439 1 195 . 1 . 1 14 14 LEU HD13 H 1 0.900 0.001 . . . . . . A 14 LEU HD13 . 30439 1 196 . 1 . 1 14 14 LEU HD21 H 1 0.850 0.001 . . . . . . A 14 LEU HD21 . 30439 1 197 . 1 . 1 14 14 LEU HD22 H 1 0.850 0.001 . . . . . . A 14 LEU HD22 . 30439 1 198 . 1 . 1 14 14 LEU HD23 H 1 0.850 0.001 . . . . . . A 14 LEU HD23 . 30439 1 199 . 1 . 1 14 14 LEU CA C 13 59.876 0.000 . . . . . . A 14 LEU CA . 30439 1 200 . 1 . 1 14 14 LEU CB C 13 45.831 0.005 . . . . . . A 14 LEU CB . 30439 1 201 . 1 . 1 14 14 LEU CG C 13 27.167 0.000 . . . . . . A 14 LEU CG . 30439 1 202 . 1 . 1 14 14 LEU CD1 C 13 27.808 0.000 . . . . . . A 14 LEU CD1 . 30439 1 203 . 1 . 1 14 14 LEU CD2 C 13 26.882 0.000 . . . . . . A 14 LEU CD2 . 30439 1 204 . 1 . 1 14 14 LEU N N 15 120.224 0.000 . . . . . . A 14 LEU N . 30439 1 205 . 1 . 1 15 15 ALA H H 1 7.964 0.001 . . . . . . A 15 ALA H . 30439 1 206 . 1 . 1 15 15 ALA HA H 1 4.167 0.000 . . . . . . A 15 ALA HA . 30439 1 207 . 1 . 1 15 15 ALA HB1 H 1 1.419 0.000 . . . . . . A 15 ALA HB1 . 30439 1 208 . 1 . 1 15 15 ALA HB2 H 1 1.419 0.000 . . . . . . A 15 ALA HB2 . 30439 1 209 . 1 . 1 15 15 ALA HB3 H 1 1.419 0.000 . . . . . . A 15 ALA HB3 . 30439 1 210 . 1 . 1 15 15 ALA CA C 13 60.145 0.000 . . . . . . A 15 ALA CA . 30439 1 211 . 1 . 1 15 15 ALA CB C 13 21.684 0.000 . . . . . . A 15 ALA CB . 30439 1 212 . 1 . 1 15 15 ALA N N 15 122.069 0.000 . . . . . . A 15 ALA N . 30439 1 213 . 1 . 1 16 16 ALA H H 1 7.903 0.001 . . . . . . A 16 ALA H . 30439 1 214 . 1 . 1 16 16 ALA HA H 1 4.176 0.007 . . . . . . A 16 ALA HA . 30439 1 215 . 1 . 1 16 16 ALA HB1 H 1 1.381 0.002 . . . . . . A 16 ALA HB1 . 30439 1 216 . 1 . 1 16 16 ALA HB2 H 1 1.381 0.002 . . . . . . A 16 ALA HB2 . 30439 1 217 . 1 . 1 16 16 ALA HB3 H 1 1.381 0.002 . . . . . . A 16 ALA HB3 . 30439 1 218 . 1 . 1 16 16 ALA CA C 13 60.868 0.000 . . . . . . A 16 ALA CA . 30439 1 219 . 1 . 1 16 16 ALA CB C 13 21.860 0.000 . . . . . . A 16 ALA CB . 30439 1 220 . 1 . 1 16 16 ALA N N 15 119.923 0.000 . . . . . . A 16 ALA N . 30439 1 221 . 1 . 1 17 17 ALA H H 1 7.705 0.003 . . . . . . A 17 ALA H . 30439 1 222 . 1 . 1 17 17 ALA HA H 1 4.202 0.002 . . . . . . A 17 ALA HA . 30439 1 223 . 1 . 1 17 17 ALA HB1 H 1 1.266 0.003 . . . . . . A 17 ALA HB1 . 30439 1 224 . 1 . 1 17 17 ALA HB2 H 1 1.266 0.003 . . . . . . A 17 ALA HB2 . 30439 1 225 . 1 . 1 17 17 ALA HB3 H 1 1.266 0.003 . . . . . . A 17 ALA HB3 . 30439 1 226 . 1 . 1 17 17 ALA CA C 13 60.930 0.000 . . . . . . A 17 ALA CA . 30439 1 227 . 1 . 1 17 17 ALA CB C 13 22.084 0.000 . . . . . . A 17 ALA CB . 30439 1 228 . 1 . 1 17 17 ALA N N 15 123.661 0.000 . . . . . . A 17 ALA N . 30439 1 229 . 1 . 1 18 18 PHE H H 1 7.735 0.001 . . . . . . A 18 PHE H . 30439 1 230 . 1 . 1 18 18 PHE HA H 1 4.579 0.002 . . . . . . A 18 PHE HA . 30439 1 231 . 1 . 1 18 18 PHE HB2 H 1 3.216 0.001 . . . . . . A 18 PHE HB2 . 30439 1 232 . 1 . 1 18 18 PHE HB3 H 1 2.998 0.001 . . . . . . A 18 PHE HB3 . 30439 1 233 . 1 . 1 18 18 PHE CA C 13 60.934 0.000 . . . . . . A 18 PHE CA . 30439 1 234 . 1 . 1 18 18 PHE CB C 13 42.640 0.000 . . . . . . A 18 PHE CB . 30439 1 235 . 1 . 1 18 18 PHE N N 15 117.370 0.000 . . . . . . A 18 PHE N . 30439 1 236 . 1 . 1 19 19 LYS H H 1 7.704 0.002 . . . . . . A 19 LYS H . 30439 1 237 . 1 . 1 19 19 LYS HA H 1 4.247 0.000 . . . . . . A 19 LYS HA . 30439 1 238 . 1 . 1 19 19 LYS HB2 H 1 1.757 0.000 . . . . . . A 19 LYS HB2 . 30439 1 239 . 1 . 1 19 19 LYS HB3 H 1 1.849 0.000 . . . . . . A 19 LYS HB3 . 30439 1 240 . 1 . 1 19 19 LYS HG2 H 1 1.371 0.000 . . . . . . A 19 LYS HG2 . 30439 1 241 . 1 . 1 19 19 LYS HG3 H 1 1.426 0.001 . . . . . . A 19 LYS HG3 . 30439 1 242 . 1 . 1 19 19 LYS HD2 H 1 1.656 0.001 . . . . . . A 19 LYS HD2 . 30439 1 243 . 1 . 1 19 19 LYS HD3 H 1 1.681 0.000 . . . . . . A 19 LYS HD3 . 30439 1 244 . 1 . 1 19 19 LYS HE2 H 1 2.935 0.000 . . . . . . A 19 LYS HE2 . 30439 1 245 . 1 . 1 19 19 LYS HE3 H 1 2.956 0.000 . . . . . . A 19 LYS HE3 . 30439 1 246 . 1 . 1 19 19 LYS CA C 13 59.749 0.000 . . . . . . A 19 LYS CA . 30439 1 247 . 1 . 1 19 19 LYS CB C 13 36.512 0.005 . . . . . . A 19 LYS CB . 30439 1 248 . 1 . 1 19 19 LYS CG C 13 27.722 0.002 . . . . . . A 19 LYS CG . 30439 1 249 . 1 . 1 19 19 LYS CD C 13 30.292 0.002 . . . . . . A 19 LYS CD . 30439 1 250 . 1 . 1 19 19 LYS CE C 13 45.619 0.014 . . . . . . A 19 LYS CE . 30439 1 251 . 1 . 1 19 19 LYS N N 15 120.226 0.000 . . . . . . A 19 LYS N . 30439 1 stop_ save_