################################### # 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 31262 _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' . . . 31262 1 2 '2D 1H-1H NOESY' . . . 31262 1 3 '2D 1H-13C HSQC' . . . 31262 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 ILE H H 1 7.990 0.015 . 1 . . . . A 1 ILE H2 . 31262 1 2 . 1 . 1 1 1 ILE HA H 1 4.081 0.007 . 1 . . . . A 1 ILE HA . 31262 1 3 . 1 . 1 1 1 ILE HB H 1 2.110 0.008 . 1 . . . . A 1 ILE HB . 31262 1 4 . 1 . 1 1 1 ILE HG21 H 1 1.071 0.018 . 1 . . . . A 1 ILE HG21 . 31262 1 5 . 1 . 1 1 1 ILE HG22 H 1 1.071 0.018 . 1 . . . . A 1 ILE HG22 . 31262 1 6 . 1 . 1 1 1 ILE HG23 H 1 1.071 0.018 . 1 . . . . A 1 ILE HG23 . 31262 1 7 . 1 . 1 1 1 ILE HD11 H 1 1.028 0.007 . 1 . . . . A 1 ILE HD11 . 31262 1 8 . 1 . 1 1 1 ILE HD12 H 1 1.028 0.007 . 1 . . . . A 1 ILE HD12 . 31262 1 9 . 1 . 1 1 1 ILE HD13 H 1 1.028 0.007 . 1 . . . . A 1 ILE HD13 . 31262 1 10 . 1 . 1 1 1 ILE CA C 13 61.873 0.000 . 1 . . . . A 1 ILE CA . 31262 1 11 . 1 . 1 1 1 ILE CB C 13 37.347 0.000 . 1 . . . . A 1 ILE CB . 31262 1 12 . 1 . 1 1 1 ILE CG2 C 13 17.170 0.000 . 1 . . . . A 1 ILE CG2 . 31262 1 13 . 1 . 1 1 1 ILE CD1 C 13 13.678 0.000 . 1 . . . . A 1 ILE CD1 . 31262 1 14 . 1 . 1 2 2 VAL H H 1 8.328 0.006 . 1 . . . . A 2 VAL H . 31262 1 15 . 1 . 1 2 2 VAL HA H 1 3.947 0.006 . 1 . . . . A 2 VAL HA . 31262 1 16 . 1 . 1 2 2 VAL HB H 1 2.301 0.006 . 1 . . . . A 2 VAL HB . 31262 1 17 . 1 . 1 2 2 VAL HG11 H 1 1.150 0.009 . 2 . . . . A 2 VAL HG11 . 31262 1 18 . 1 . 1 2 2 VAL HG12 H 1 1.150 0.009 . 2 . . . . A 2 VAL HG12 . 31262 1 19 . 1 . 1 2 2 VAL HG13 H 1 1.150 0.009 . 2 . . . . A 2 VAL HG13 . 31262 1 20 . 1 . 1 2 2 VAL HG21 H 1 1.100 0.012 . 2 . . . . A 2 VAL HG21 . 31262 1 21 . 1 . 1 2 2 VAL HG22 H 1 1.100 0.012 . 2 . . . . A 2 VAL HG22 . 31262 1 22 . 1 . 1 2 2 VAL HG23 H 1 1.100 0.012 . 2 . . . . A 2 VAL HG23 . 31262 1 23 . 1 . 1 2 2 VAL CA C 13 65.382 0.000 . 1 . . . . A 2 VAL CA . 31262 1 24 . 1 . 1 2 2 VAL CB C 13 31.872 0.000 . 1 . . . . A 2 VAL CB . 31262 1 25 . 1 . 1 2 2 VAL CG1 C 13 21.953 0.000 . 2 . . . . A 2 VAL CG1 . 31262 1 26 . 1 . 1 2 2 VAL CG2 C 13 21.755 0.000 . 2 . . . . A 2 VAL CG2 . 31262 1 27 . 1 . 1 3 3 SER H H 1 8.663 0.005 . 1 . . . . A 3 SER H . 31262 1 28 . 1 . 1 3 3 SER HA H 1 4.215 0.008 . 1 . . . . A 3 SER HA . 31262 1 29 . 1 . 1 3 3 SER HB2 H 1 4.064 0.006 . 2 . . . . A 3 SER HB2 . 31262 1 30 . 1 . 1 3 3 SER HB3 H 1 4.024 0.013 . 2 . . . . A 3 SER HB3 . 31262 1 31 . 1 . 1 3 3 SER CA C 13 61.754 0.000 . 1 . . . . A 3 SER CA . 31262 1 32 . 1 . 1 3 3 SER CB C 13 62.631 0.017 . 1 . . . . A 3 SER CB . 31262 1 33 . 1 . 1 4 4 ALA H H 1 8.000 0.009 . 1 . . . . A 4 ALA H . 31262 1 34 . 1 . 1 4 4 ALA HA H 1 4.160 0.005 . 1 . . . . A 4 ALA HA . 31262 1 35 . 1 . 1 4 4 ALA HB1 H 1 1.551 0.004 . 1 . . . . A 4 ALA HB1 . 31262 1 36 . 1 . 1 4 4 ALA HB2 H 1 1.551 0.004 . 1 . . . . A 4 ALA HB2 . 31262 1 37 . 1 . 1 4 4 ALA HB3 H 1 1.551 0.004 . 1 . . . . A 4 ALA HB3 . 31262 1 38 . 1 . 1 4 4 ALA CA C 13 55.262 0.000 . 1 . . . . A 4 ALA CA . 31262 1 39 . 1 . 1 4 4 ALA CB C 13 19.000 0.000 . 1 . . . . A 4 ALA CB . 31262 1 40 . 1 . 1 5 5 ILE H H 1 7.588 0.008 . 1 . . . . A 5 ILE H . 31262 1 41 . 1 . 1 5 5 ILE HA H 1 4.235 0.006 . 1 . . . . A 5 ILE HA . 31262 1 42 . 1 . 1 5 5 ILE HB H 1 2.014 0.003 . 1 . . . . A 5 ILE HB . 31262 1 43 . 1 . 1 5 5 ILE HG12 H 1 1.017 0.001 . 2 . . . . A 5 ILE HG12 . 31262 1 44 . 1 . 1 5 5 ILE HG13 H 1 1.008 0.002 . 2 . . . . A 5 ILE HG13 . 31262 1 45 . 1 . 1 5 5 ILE HG21 H 1 0.961 0.019 . 1 . . . . A 5 ILE HG21 . 31262 1 46 . 1 . 1 5 5 ILE HG22 H 1 0.961 0.019 . 1 . . . . A 5 ILE HG22 . 31262 1 47 . 1 . 1 5 5 ILE HG23 H 1 0.961 0.019 . 1 . . . . A 5 ILE HG23 . 31262 1 48 . 1 . 1 5 5 ILE HD11 H 1 0.961 0.011 . 1 . . . . A 5 ILE HD11 . 31262 1 49 . 1 . 1 5 5 ILE HD12 H 1 0.961 0.011 . 1 . . . . A 5 ILE HD12 . 31262 1 50 . 1 . 1 5 5 ILE HD13 H 1 0.961 0.011 . 1 . . . . A 5 ILE HD13 . 31262 1 51 . 1 . 1 5 5 ILE CA C 13 61.752 0.000 . 1 . . . . A 5 ILE CA . 31262 1 52 . 1 . 1 5 5 ILE CB C 13 38.939 0.000 . 1 . . . . A 5 ILE CB . 31262 1 53 . 1 . 1 5 5 ILE CG1 C 13 25.835 0.000 . 1 . . . . A 5 ILE CG1 . 31262 1 54 . 1 . 1 5 5 ILE CG2 C 13 17.825 0.000 . 1 . . . . A 5 ILE CG2 . 31262 1 55 . 1 . 1 5 5 ILE CD1 C 13 13.727 0.000 . 1 . . . . A 5 ILE CD1 . 31262 1 56 . 1 . 1 6 6 ARG H H 1 8.194 0.003 . 1 . . . . A 6 ARG H . 31262 1 57 . 1 . 1 6 6 ARG HA H 1 3.937 0.007 . 1 . . . . A 6 ARG HA . 31262 1 58 . 1 . 1 6 6 ARG HB2 H 1 1.983 0.009 . 2 . . . . A 6 ARG HB2 . 31262 1 59 . 1 . 1 6 6 ARG HB3 H 1 1.957 0.010 . 2 . . . . A 6 ARG HB3 . 31262 1 60 . 1 . 1 6 6 ARG HG2 H 1 1.854 0.010 . 2 . . . . A 6 ARG HG2 . 31262 1 61 . 1 . 1 6 6 ARG HG3 H 1 1.661 0.011 . 2 . . . . A 6 ARG HG3 . 31262 1 62 . 1 . 1 6 6 ARG HD2 H 1 3.237 0.010 . 2 . . . . A 6 ARG HD2 . 31262 1 63 . 1 . 1 6 6 ARG HD3 H 1 3.243 0.005 . 2 . . . . A 6 ARG HD3 . 31262 1 64 . 1 . 1 6 6 ARG HE H 1 7.202 0.006 . 1 . . . . A 6 ARG HE . 31262 1 65 . 1 . 1 6 6 ARG HH12 H 1 6.723 0.011 . 1 . . . . A 6 ARG HH12 . 31262 1 66 . 1 . 1 6 6 ARG HH22 H 1 6.717 0.013 . 1 . . . . A 6 ARG HH22 . 31262 1 67 . 1 . 1 6 6 ARG CA C 13 59.976 0.000 . 1 . . . . A 6 ARG CA . 31262 1 68 . 1 . 1 6 6 ARG CB C 13 29.779 0.000 . 1 . . . . A 6 ARG CB . 31262 1 69 . 1 . 1 6 6 ARG CG C 13 27.440 0.000 . 1 . . . . A 6 ARG CG . 31262 1 70 . 1 . 1 6 6 ARG CD C 13 43.428 0.000 . 1 . . . . A 6 ARG CD . 31262 1 71 . 1 . 1 7 7 LYS H H 1 7.883 0.006 . 1 . . . . A 7 LYS H . 31262 1 72 . 1 . 1 7 7 LYS HA H 1 4.100 0.005 . 1 . . . . A 7 LYS HA . 31262 1 73 . 1 . 1 7 7 LYS HB2 H 1 2.026 0.010 . 2 . . . . A 7 LYS HB2 . 31262 1 74 . 1 . 1 7 7 LYS HB3 H 1 2.008 0.003 . 2 . . . . A 7 LYS HB3 . 31262 1 75 . 1 . 1 7 7 LYS HD2 H 1 1.746 0.002 . 1 . . . . A 7 LYS HD2 . 31262 1 76 . 1 . 1 7 7 LYS HD3 H 1 1.746 0.002 . 1 . . . . A 7 LYS HD3 . 31262 1 77 . 1 . 1 7 7 LYS HE2 H 1 3.017 0.002 . 1 . . . . A 7 LYS HE2 . 31262 1 78 . 1 . 1 7 7 LYS HE3 H 1 3.017 0.002 . 1 . . . . A 7 LYS HE3 . 31262 1 79 . 1 . 1 7 7 LYS HZ1 H 1 7.482 0.001 . 1 . . . . A 7 LYS HZ1 . 31262 1 80 . 1 . 1 7 7 LYS HZ2 H 1 7.482 0.001 . 1 . . . . A 7 LYS HZ2 . 31262 1 81 . 1 . 1 7 7 LYS HZ3 H 1 7.482 0.001 . 1 . . . . A 7 LYS HZ3 . 31262 1 82 . 1 . 1 7 7 LYS CA C 13 57.686 0.000 . 1 . . . . A 7 LYS CA . 31262 1 83 . 1 . 1 7 7 LYS CB C 13 32.339 0.000 . 1 . . . . A 7 LYS CB . 31262 1 84 . 1 . 1 7 7 LYS CD C 13 29.331 0.000 . 1 . . . . A 7 LYS CD . 31262 1 85 . 1 . 1 7 7 LYS CE C 13 42.331 0.000 . 1 . . . . A 7 LYS CE . 31262 1 86 . 1 . 1 8 8 ILE H H 1 7.878 0.005 . 1 . . . . A 8 ILE H . 31262 1 87 . 1 . 1 8 8 ILE HA H 1 3.831 0.007 . 1 . . . . A 8 ILE HA . 31262 1 88 . 1 . 1 8 8 ILE HB H 1 2.038 0.018 . 1 . . . . A 8 ILE HB . 31262 1 89 . 1 . 1 8 8 ILE HG12 H 1 0.997 0.000 . 1 . . . . A 8 ILE HG12 . 31262 1 90 . 1 . 1 8 8 ILE HG13 H 1 0.997 0.000 . 1 . . . . A 8 ILE HG13 . 31262 1 91 . 1 . 1 8 8 ILE HG21 H 1 0.981 0.010 . 1 . . . . A 8 ILE HG21 . 31262 1 92 . 1 . 1 8 8 ILE HG22 H 1 0.981 0.010 . 1 . . . . A 8 ILE HG22 . 31262 1 93 . 1 . 1 8 8 ILE HG23 H 1 0.981 0.010 . 1 . . . . A 8 ILE HG23 . 31262 1 94 . 1 . 1 8 8 ILE HD11 H 1 0.964 0.008 . 1 . . . . A 8 ILE HD11 . 31262 1 95 . 1 . 1 8 8 ILE HD12 H 1 0.964 0.008 . 1 . . . . A 8 ILE HD12 . 31262 1 96 . 1 . 1 8 8 ILE HD13 H 1 0.964 0.008 . 1 . . . . A 8 ILE HD13 . 31262 1 97 . 1 . 1 8 8 ILE CA C 13 64.712 0.000 . 1 . . . . A 8 ILE CA . 31262 1 98 . 1 . 1 8 8 ILE CB C 13 38.294 0.000 . 1 . . . . A 8 ILE CB . 31262 1 99 . 1 . 1 8 8 ILE CG2 C 13 17.839 0.000 . 1 . . . . A 8 ILE CG2 . 31262 1 100 . 1 . 1 8 8 ILE CD1 C 13 13.722 0.000 . 1 . . . . A 8 ILE CD1 . 31262 1 101 . 1 . 1 9 9 LEU H H 1 8.282 0.003 . 1 . . . . A 9 LEU H . 31262 1 102 . 1 . 1 9 9 LEU HA H 1 4.101 0.006 . 1 . . . . A 9 LEU HA . 31262 1 103 . 1 . 1 9 9 LEU HB2 H 1 1.907 0.023 . 2 . . . . A 9 LEU HB2 . 31262 1 104 . 1 . 1 9 9 LEU HB3 H 1 1.642 0.027 . 2 . . . . A 9 LEU HB3 . 31262 1 105 . 1 . 1 9 9 LEU HG H 1 1.476 0.017 . 1 . . . . A 9 LEU HG . 31262 1 106 . 1 . 1 9 9 LEU HD11 H 1 0.909 0.003 . 1 . . . . A 9 LEU HD11 . 31262 1 107 . 1 . 1 9 9 LEU HD12 H 1 0.909 0.003 . 1 . . . . A 9 LEU HD12 . 31262 1 108 . 1 . 1 9 9 LEU HD13 H 1 0.909 0.003 . 1 . . . . A 9 LEU HD13 . 31262 1 109 . 1 . 1 9 9 LEU CA C 13 59.478 0.000 . 1 . . . . A 9 LEU CA . 31262 1 110 . 1 . 1 9 9 LEU CB C 13 41.432 0.022 . 1 . . . . A 9 LEU CB . 31262 1 111 . 1 . 1 9 9 LEU CG C 13 27.523 0.000 . 1 . . . . A 9 LEU CG . 31262 1 112 . 1 . 1 10 10 GLY H H 1 7.979 0.010 . 1 . . . . A 10 GLY H . 31262 1 113 . 1 . 1 10 10 GLY HA2 H 1 3.895 0.012 . 2 . . . . A 10 GLY HA2 . 31262 1 114 . 1 . 1 10 10 GLY HA3 H 1 3.899 0.011 . 2 . . . . A 10 GLY HA3 . 31262 1 115 . 1 . 1 10 10 GLY CA C 13 45.388 0.000 . 1 . . . . A 10 GLY CA . 31262 1 116 . 1 . 1 11 11 ARG H H 1 7.731 0.004 . 1 . . . . A 11 ARG H . 31262 1 117 . 1 . 1 11 11 ARG HA H 1 4.371 0.009 . 1 . . . . A 11 ARG HA . 31262 1 118 . 1 . 1 11 11 ARG HB2 H 1 2.052 0.003 . 2 . . . . A 11 ARG HB2 . 31262 1 119 . 1 . 1 11 11 ARG HB3 H 1 2.088 0.006 . 2 . . . . A 11 ARG HB3 . 31262 1 120 . 1 . 1 11 11 ARG HG2 H 1 1.772 0.011 . 2 . . . . A 11 ARG HG2 . 31262 1 121 . 1 . 1 11 11 ARG HG3 H 1 1.811 0.003 . 2 . . . . A 11 ARG HG3 . 31262 1 122 . 1 . 1 11 11 ARG HD2 H 1 3.270 0.007 . 2 . . . . A 11 ARG HD2 . 31262 1 123 . 1 . 1 11 11 ARG HD3 H 1 3.286 0.014 . 2 . . . . A 11 ARG HD3 . 31262 1 124 . 1 . 1 11 11 ARG HE H 1 7.295 0.009 . 1 . . . . A 11 ARG HE . 31262 1 125 . 1 . 1 11 11 ARG HH12 H 1 6.713 0.000 . 1 . . . . A 11 ARG HH12 . 31262 1 126 . 1 . 1 11 11 ARG HH21 H 1 6.713 0.000 . 1 . . . . A 11 ARG HH21 . 31262 1 127 . 1 . 1 11 11 ARG CA C 13 57.002 0.000 . 1 . . . . A 11 ARG CA . 31262 1 128 . 1 . 1 11 11 ARG CB C 13 30.869 0.000 . 1 . . . . A 11 ARG CB . 31262 1 129 . 1 . 1 11 11 ARG CG C 13 27.402 0.000 . 1 . . . . A 11 ARG CG . 31262 1 130 . 1 . 1 11 11 ARG CD C 13 43.405 0.000 . 1 . . . . A 11 ARG CD . 31262 1 131 . 1 . 1 12 12 ILE H H 1 7.632 0.006 . 1 . . . . A 12 ILE H . 31262 1 132 . 1 . 1 12 12 ILE HA H 1 4.217 0.005 . 1 . . . . A 12 ILE HA . 31262 1 133 . 1 . 1 12 12 ILE HB H 1 2.090 0.003 . 1 . . . . A 12 ILE HB . 31262 1 134 . 1 . 1 12 12 ILE HG12 H 1 1.019 0.000 . 2 . . . . A 12 ILE HG12 . 31262 1 135 . 1 . 1 12 12 ILE HG13 H 1 1.011 0.006 . 2 . . . . A 12 ILE HG13 . 31262 1 136 . 1 . 1 12 12 ILE HG21 H 1 0.916 0.005 . 1 . . . . A 12 ILE HG21 . 31262 1 137 . 1 . 1 12 12 ILE HG22 H 1 0.916 0.005 . 1 . . . . A 12 ILE HG22 . 31262 1 138 . 1 . 1 12 12 ILE HG23 H 1 0.916 0.005 . 1 . . . . A 12 ILE HG23 . 31262 1 139 . 1 . 1 12 12 ILE HD11 H 1 0.932 0.002 . 1 . . . . A 12 ILE HD11 . 31262 1 140 . 1 . 1 12 12 ILE HD12 H 1 0.932 0.002 . 1 . . . . A 12 ILE HD12 . 31262 1 141 . 1 . 1 12 12 ILE HD13 H 1 0.932 0.002 . 1 . . . . A 12 ILE HD13 . 31262 1 142 . 1 . 1 12 12 ILE CA C 13 61.757 0.000 . 1 . . . . A 12 ILE CA . 31262 1 143 . 1 . 1 12 12 ILE CB C 13 38.489 0.000 . 1 . . . . A 12 ILE CB . 31262 1 144 . 1 . 1 12 12 ILE CG1 C 13 23.171 0.000 . 1 . . . . A 12 ILE CG1 . 31262 1 145 . 1 . 1 12 12 ILE CG2 C 13 17.894 0.000 . 1 . . . . A 12 ILE CG2 . 31262 1 146 . 1 . 1 12 12 ILE CD1 C 13 13.788 0.000 . 1 . . . . A 12 ILE CD1 . 31262 1 147 . 1 . 1 13 13 LYS H H 1 8.194 0.007 . 1 . . . . A 13 LYS H . 31262 1 148 . 1 . 1 13 13 LYS HA H 1 4.361 0.004 . 1 . . . . A 13 LYS HA . 31262 1 149 . 1 . 1 13 13 LYS HB2 H 1 1.915 0.011 . 1 . . . . A 13 LYS HB2 . 31262 1 150 . 1 . 1 13 13 LYS HB3 H 1 1.915 0.011 . 1 . . . . A 13 LYS HB3 . 31262 1 151 . 1 . 1 13 13 LYS HG2 H 1 1.557 0.014 . 1 . . . . A 13 LYS HG2 . 31262 1 152 . 1 . 1 13 13 LYS HG3 H 1 1.557 0.014 . 1 . . . . A 13 LYS HG3 . 31262 1 153 . 1 . 1 13 13 LYS HD2 H 1 1.514 0.012 . 1 . . . . A 13 LYS HD2 . 31262 1 154 . 1 . 1 13 13 LYS HD3 H 1 1.514 0.012 . 1 . . . . A 13 LYS HD3 . 31262 1 155 . 1 . 1 13 13 LYS HE2 H 1 3.081 0.004 . 1 . . . . A 13 LYS HE2 . 31262 1 156 . 1 . 1 13 13 LYS HE3 H 1 3.081 0.004 . 1 . . . . A 13 LYS HE3 . 31262 1 157 . 1 . 1 13 13 LYS HZ1 H 1 7.481 0.010 . 1 . . . . A 13 LYS HZ1 . 31262 1 158 . 1 . 1 13 13 LYS HZ2 H 1 7.481 0.010 . 1 . . . . A 13 LYS HZ2 . 31262 1 159 . 1 . 1 13 13 LYS HZ3 H 1 7.481 0.010 . 1 . . . . A 13 LYS HZ3 . 31262 1 160 . 1 . 1 13 13 LYS CA C 13 57.089 0.000 . 1 . . . . A 13 LYS CA . 31262 1 161 . 1 . 1 13 13 LYS CB C 13 32.456 0.000 . 1 . . . . A 13 LYS CB . 31262 1 162 . 1 . 1 13 13 LYS CG C 13 24.963 0.000 . 1 . . . . A 13 LYS CG . 31262 1 163 . 1 . 1 13 13 LYS CD C 13 27.594 0.000 . 1 . . . . A 13 LYS CD . 31262 1 164 . 1 . 1 13 13 LYS CE C 13 42.349 0.000 . 1 . . . . A 13 LYS CE . 31262 1 165 . 1 . 1 14 14 ILE H H 1 7.590 0.015 . 1 . . . . A 14 ILE H . 31262 1 166 . 1 . 1 14 14 ILE HA H 1 3.736 0.013 . 1 . . . . A 14 ILE HA . 31262 1 167 . 1 . 1 14 14 ILE HB H 1 2.099 0.019 . 1 . . . . A 14 ILE HB . 31262 1 168 . 1 . 1 14 14 ILE HG12 H 1 2.065 0.016 . 1 . . . . A 14 ILE HG12 . 31262 1 169 . 1 . 1 14 14 ILE HG13 H 1 2.071 0.003 . 1 . . . . A 14 ILE HG13 . 31262 1 170 . 1 . 1 14 14 ILE HG21 H 1 0.964 0.002 . 1 . . . . A 14 ILE HG21 . 31262 1 171 . 1 . 1 14 14 ILE HG22 H 1 0.964 0.002 . 1 . . . . A 14 ILE HG22 . 31262 1 172 . 1 . 1 14 14 ILE HG23 H 1 0.964 0.002 . 1 . . . . A 14 ILE HG23 . 31262 1 173 . 1 . 1 14 14 ILE HD11 H 1 0.940 0.003 . 1 . . . . A 14 ILE HD11 . 31262 1 174 . 1 . 1 14 14 ILE HD12 H 1 0.940 0.003 . 1 . . . . A 14 ILE HD12 . 31262 1 175 . 1 . 1 14 14 ILE HD13 H 1 0.940 0.003 . 1 . . . . A 14 ILE HD13 . 31262 1 176 . 1 . 1 14 14 ILE CA C 13 64.692 0.000 . 1 . . . . A 14 ILE CA . 31262 1 177 . 1 . 1 14 14 ILE CB C 13 39.054 0.000 . 1 . . . . A 14 ILE CB . 31262 1 178 . 1 . 1 14 14 ILE CG1 C 13 27.571 0.000 . 1 . . . . A 14 ILE CG1 . 31262 1 179 . 1 . 1 14 14 ILE CG2 C 13 17.829 0.000 . 1 . . . . A 14 ILE CG2 . 31262 1 180 . 1 . 1 14 14 ILE CD1 C 13 12.943 0.000 . 1 . . . . A 14 ILE CD1 . 31262 1 181 . 1 . 1 15 15 LEU H H 1 7.622 0.012 . 1 . . . . A 15 LEU H . 31262 1 182 . 1 . 1 15 15 LEU HA H 1 4.611 0.008 . 1 . . . . A 15 LEU HA . 31262 1 183 . 1 . 1 15 15 LEU HB2 H 1 1.759 0.006 . 2 . . . . A 15 LEU HB2 . 31262 1 184 . 1 . 1 15 15 LEU HB3 H 1 1.631 0.006 . 2 . . . . A 15 LEU HB3 . 31262 1 185 . 1 . 1 15 15 LEU HG H 1 1.657 0.015 . 1 . . . . A 15 LEU HG . 31262 1 186 . 1 . 1 15 15 LEU HD11 H 1 1.035 0.013 . 2 . . . . A 15 LEU HD11 . 31262 1 187 . 1 . 1 15 15 LEU HD12 H 1 1.035 0.013 . 2 . . . . A 15 LEU HD12 . 31262 1 188 . 1 . 1 15 15 LEU HD13 H 1 1.035 0.013 . 2 . . . . A 15 LEU HD13 . 31262 1 189 . 1 . 1 15 15 LEU HD21 H 1 0.981 0.007 . 2 . . . . A 15 LEU HD21 . 31262 1 190 . 1 . 1 15 15 LEU HD22 H 1 0.981 0.007 . 2 . . . . A 15 LEU HD22 . 31262 1 191 . 1 . 1 15 15 LEU HD23 H 1 0.981 0.007 . 2 . . . . A 15 LEU HD23 . 31262 1 192 . 1 . 1 15 15 LEU CB C 13 41.419 0.023 . 1 . . . . A 15 LEU CB . 31262 1 193 . 1 . 1 15 15 LEU CG C 13 25.474 0.000 . 1 . . . . A 15 LEU CG . 31262 1 194 . 1 . 1 15 15 LEU CD1 C 13 25.770 0.000 . 2 . . . . A 15 LEU CD1 . 31262 1 195 . 1 . 1 15 15 LEU CD2 C 13 23.498 0.000 . 2 . . . . A 15 LEU CD2 . 31262 1 196 . 1 . 1 16 16 PRO HA H 1 4.481 0.005 . 1 . . . . A 16 PRO HA . 31262 1 197 . 1 . 1 16 16 PRO HB2 H 1 2.346 0.003 . 2 . . . . A 16 PRO HB2 . 31262 1 198 . 1 . 1 16 16 PRO HB3 H 1 2.327 0.004 . 2 . . . . A 16 PRO HB3 . 31262 1 199 . 1 . 1 16 16 PRO HG2 H 1 2.037 0.019 . 1 . . . . A 16 PRO HG2 . 31262 1 200 . 1 . 1 16 16 PRO HD2 H 1 3.878 0.005 . 2 . . . . A 16 PRO HD2 . 31262 1 201 . 1 . 1 16 16 PRO HD3 H 1 3.717 0.003 . 2 . . . . A 16 PRO HD3 . 31262 1 202 . 1 . 1 16 16 PRO CA C 13 63.556 0.000 . 1 . . . . A 16 PRO CA . 31262 1 203 . 1 . 1 16 16 PRO CB C 13 32.041 0.013 . 1 . . . . A 16 PRO CB . 31262 1 204 . 1 . 1 16 16 PRO CG C 13 30.906 0.012 . 1 . . . . A 16 PRO CG . 31262 1 205 . 1 . 1 16 16 PRO CD C 13 50.545 0.021 . 1 . . . . A 16 PRO CD . 31262 1 206 . 1 . 1 17 17 GLY H H 1 7.984 0.008 . 1 . . . . A 17 GLY H . 31262 1 207 . 1 . 1 17 17 GLY HA2 H 1 3.929 0.002 . 2 . . . . A 17 GLY HA2 . 31262 1 208 . 1 . 1 17 17 GLY HA3 H 1 3.938 0.003 . 2 . . . . A 17 GLY HA3 . 31262 1 209 . 1 . 1 17 17 GLY CA C 13 45.353 0.000 . 1 . . . . A 17 GLY CA . 31262 1 stop_ save_