################################### # 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 16963 _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 1 '2D 1H-1H COSY' . . . 16963 1 2 '2D 1H-1H TOCSY' . . . 16963 1 3 '2D 1H-1H NOESY' . . . 16963 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $XEASY . . 16963 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 1 1 ASP HA H 1 4.119 0.025 . 1 . . . . 1 ASP HA . 16963 1 2 . 1 1 1 1 ASP HB2 H 1 2.808 0.025 . 2 . . . . 1 ASP HB2 . 16963 1 3 . 1 1 1 1 ASP HB3 H 1 2.658 0.025 . 2 . . . . 1 ASP HB3 . 16963 1 4 . 1 1 2 2 PHE H H 1 8.762 0.025 . 1 . . . . 2 PHE H . 16963 1 5 . 1 1 2 2 PHE HA H 1 4.869 0.025 . 1 . . . . 2 PHE HA . 16963 1 6 . 1 1 2 2 PHE HB2 H 1 3.155 0.025 . 2 . . . . 2 PHE HB2 . 16963 1 7 . 1 1 2 2 PHE HB3 H 1 2.795 0.025 . 2 . . . . 2 PHE HB3 . 16963 1 8 . 1 1 2 2 PHE HD1 H 1 7.286 0.025 . 1 . . . . 2 PHE HD1 . 16963 1 9 . 1 1 2 2 PHE HD2 H 1 7.286 0.025 . 1 . . . . 2 PHE HD2 . 16963 1 10 . 1 1 2 2 PHE HE1 H 1 7.334 0.025 . 1 . . . . 2 PHE HE1 . 16963 1 11 . 1 1 2 2 PHE HE2 H 1 7.334 0.025 . 1 . . . . 2 PHE HE2 . 16963 1 12 . 1 1 3 3 PRO HA H 1 4.554 0.025 . 1 . . . . 3 PRO HA . 16963 1 13 . 1 1 3 3 PRO HB2 H 1 2.346 0.025 . 1 . . . . 3 PRO HB2 . 16963 1 14 . 1 1 3 3 PRO HB3 H 1 2.346 0.025 . 1 . . . . 3 PRO HB3 . 16963 1 15 . 1 1 3 3 PRO HD2 H 1 3.919 0.025 . 2 . . . . 3 PRO HD2 . 16963 1 16 . 1 1 3 3 PRO HD3 H 1 3.653 0.025 . 2 . . . . 3 PRO HD3 . 16963 1 17 . 1 1 3 3 PRO HG2 H 1 2.053 0.025 . 2 . . . . 3 PRO HG2 . 16963 1 18 . 1 1 3 3 PRO HG3 H 1 1.921 0.025 . 2 . . . . 3 PRO HG3 . 16963 1 19 . 1 1 4 4 LEU H H 1 8.697 0.025 . 1 . . . . 4 LEU H . 16963 1 20 . 1 1 4 4 LEU HA H 1 4.583 0.025 . 1 . . . . 4 LEU HA . 16963 1 21 . 1 1 4 4 LEU HB2 H 1 1.675 0.025 . 2 . . . . 4 LEU HB2 . 16963 1 22 . 1 1 4 4 LEU HB3 H 1 1.159 0.025 . 2 . . . . 4 LEU HB3 . 16963 1 23 . 1 1 4 4 LEU HD11 H 1 0.990 0.025 . 2 . . . . 4 LEU HD1 . 16963 1 24 . 1 1 4 4 LEU HD12 H 1 0.990 0.025 . 2 . . . . 4 LEU HD1 . 16963 1 25 . 1 1 4 4 LEU HD13 H 1 0.990 0.025 . 2 . . . . 4 LEU HD1 . 16963 1 26 . 1 1 4 4 LEU HD21 H 1 0.853 0.025 . 2 . . . . 4 LEU HD2 . 16963 1 27 . 1 1 4 4 LEU HD22 H 1 0.853 0.025 . 2 . . . . 4 LEU HD2 . 16963 1 28 . 1 1 4 4 LEU HD23 H 1 0.853 0.025 . 2 . . . . 4 LEU HD2 . 16963 1 29 . 1 1 4 4 LEU HG H 1 1.806 0.025 . 1 . . . . 4 LEU HG . 16963 1 30 . 1 1 5 5 SER H H 1 9.348 0.025 . 1 . . . . 5 SER H . 16963 1 31 . 1 1 5 5 SER HA H 1 4.398 0.025 . 1 . . . . 5 SER HA . 16963 1 32 . 1 1 5 5 SER HB2 H 1 3.811 0.025 . 1 . . . . 5 SER HB2 . 16963 1 33 . 1 1 5 5 SER HB3 H 1 3.811 0.025 . 1 . . . . 5 SER HB3 . 16963 1 34 . 1 1 6 6 LYS H H 1 8.404 0.025 . 1 . . . . 6 LYS H . 16963 1 35 . 1 1 6 6 LYS HA H 1 4.259 0.025 . 1 . . . . 6 LYS HA . 16963 1 36 . 1 1 6 6 LYS HB2 H 1 1.509 0.025 . 1 . . . . 6 LYS HB2 . 16963 1 37 . 1 1 6 6 LYS HB3 H 1 1.509 0.025 . 1 . . . . 6 LYS HB3 . 16963 1 38 . 1 1 6 6 LYS HD2 H 1 1.357 0.025 . 1 . . . . 6 LYS HD2 . 16963 1 39 . 1 1 6 6 LYS HD3 H 1 1.357 0.025 . 1 . . . . 6 LYS HD3 . 16963 1 40 . 1 1 6 6 LYS HE2 H 1 3.013 0.025 . 1 . . . . 6 LYS HE2 . 16963 1 41 . 1 1 6 6 LYS HE3 H 1 3.013 0.025 . 1 . . . . 6 LYS HE3 . 16963 1 42 . 1 1 6 6 LYS HG2 H 1 1.956 0.025 . 2 . . . . 6 LYS HG2 . 16963 1 43 . 1 1 6 6 LYS HG3 H 1 1.670 0.025 . 2 . . . . 6 LYS HG3 . 16963 1 44 . 1 1 7 7 GLU H H 1 8.216 0.025 . 1 . . . . 7 GLU H . 16963 1 45 . 1 1 7 7 GLU HA H 1 3.320 0.025 . 1 . . . . 7 GLU HA . 16963 1 46 . 1 1 7 7 GLU HB2 H 1 1.675 0.025 . 1 . . . . 7 GLU HB2 . 16963 1 47 . 1 1 7 7 GLU HB3 H 1 1.675 0.025 . 1 . . . . 7 GLU HB3 . 16963 1 48 . 1 1 7 7 GLU HG2 H 1 1.721 0.025 . 1 . . . . 7 GLU HG2 . 16963 1 49 . 1 1 7 7 GLU HG3 H 1 1.139 0.025 . 1 . . . . 7 GLU HG3 . 16963 1 50 . 1 1 8 8 TYR H H 1 9.431 0.025 . 1 . . . . 8 TYR H . 16963 1 51 . 1 1 8 8 TYR HA H 1 4.026 0.025 . 1 . . . . 8 TYR HA . 16963 1 52 . 1 1 8 8 TYR HB2 H 1 3.414 0.025 . 2 . . . . 8 TYR HB2 . 16963 1 53 . 1 1 8 8 TYR HB3 H 1 3.319 0.025 . 2 . . . . 8 TYR HB3 . 16963 1 54 . 1 1 8 8 TYR HD1 H 1 7.030 0.025 . 1 . . . . 8 TYR HD1 . 16963 1 55 . 1 1 8 8 TYR HD2 H 1 7.030 0.025 . 1 . . . . 8 TYR HD2 . 16963 1 56 . 1 1 8 8 TYR HE1 H 1 6.803 0.025 . 1 . . . . 8 TYR HE1 . 16963 1 57 . 1 1 8 8 TYR HE2 H 1 6.803 0.025 . 1 . . . . 8 TYR HE2 . 16963 1 58 . 1 1 9 9 GLU H H 1 8.104 0.025 . 1 . . . . 9 GLU H . 16963 1 59 . 1 1 9 9 GLU HA H 1 4.481 0.025 . 1 . . . . 9 GLU HA . 16963 1 60 . 1 1 9 9 GLU HB2 H 1 2.342 0.025 . 1 . . . . 9 GLU HB2 . 16963 1 61 . 1 1 9 9 GLU HB3 H 1 2.342 0.025 . 1 . . . . 9 GLU HB3 . 16963 1 62 . 1 1 9 9 GLU HG2 H 1 2.262 0.025 . 2 . . . . 9 GLU HG2 . 16963 1 63 . 1 1 9 9 GLU HG3 H 1 2.122 0.025 . 2 . . . . 9 GLU HG3 . 16963 1 64 . 1 1 10 10 SER H H 1 8.351 0.025 . 1 . . . . 10 SER H . 16963 1 65 . 1 1 10 10 SER HA H 1 4.540 0.025 . 1 . . . . 10 SER HA . 16963 1 66 . 1 1 10 10 SER HB2 H 1 4.022 0.025 . 2 . . . . 10 SER HB2 . 16963 1 67 . 1 1 10 10 SER HB3 H 1 3.601 0.025 . 2 . . . . 10 SER HB3 . 16963 1 68 . 1 1 11 11 CYS H H 1 8.568 0.025 . 1 . . . . 11 CYS H . 16963 1 69 . 1 1 11 11 CYS HA H 1 4.566 0.025 . 1 . . . . 11 CYS HA . 16963 1 70 . 1 1 11 11 CYS HB2 H 1 3.320 0.025 . 2 . . . . 11 CYS HB2 . 16963 1 71 . 1 1 11 11 CYS HB3 H 1 2.919 0.025 . 2 . . . . 11 CYS HB3 . 16963 1 72 . 1 1 12 12 VAL H H 1 7.582 0.025 . 1 . . . . 12 VAL H . 16963 1 73 . 1 1 12 12 VAL HA H 1 3.786 0.025 . 1 . . . . 12 VAL HA . 16963 1 74 . 1 1 12 12 VAL HB H 1 1.706 0.025 . 1 . . . . 12 VAL HB . 16963 1 75 . 1 1 12 12 VAL HG11 H 1 1.030 0.025 . 2 . . . . 12 VAL HG1 . 16963 1 76 . 1 1 12 12 VAL HG12 H 1 1.030 0.025 . 2 . . . . 12 VAL HG1 . 16963 1 77 . 1 1 12 12 VAL HG13 H 1 1.030 0.025 . 2 . . . . 12 VAL HG1 . 16963 1 78 . 1 1 12 12 VAL HG21 H 1 1.018 0.025 . 2 . . . . 12 VAL HG2 . 16963 1 79 . 1 1 12 12 VAL HG22 H 1 1.018 0.025 . 2 . . . . 12 VAL HG2 . 16963 1 80 . 1 1 12 12 VAL HG23 H 1 1.018 0.025 . 2 . . . . 12 VAL HG2 . 16963 1 81 . 1 1 13 13 ARG H H 1 8.805 0.025 . 1 . . . . 13 ARG H . 16963 1 82 . 1 1 13 13 ARG HA H 1 4.329 0.025 . 1 . . . . 13 ARG HA . 16963 1 83 . 1 1 13 13 ARG HB2 H 1 1.785 0.025 . 1 . . . . 13 ARG HB2 . 16963 1 84 . 1 1 13 13 ARG HB3 H 1 1.785 0.025 . 1 . . . . 13 ARG HB3 . 16963 1 85 . 1 1 13 13 ARG HD2 H 1 3.205 0.025 . 1 . . . . 13 ARG HD2 . 16963 1 86 . 1 1 13 13 ARG HD3 H 1 3.205 0.025 . 1 . . . . 13 ARG HD3 . 16963 1 87 . 1 1 13 13 ARG HE H 1 7.259 0.025 . 1 . . . . 13 ARG HE . 16963 1 88 . 1 1 13 13 ARG HG2 H 1 1.839 0.025 . 2 . . . . 13 ARG HG2 . 16963 1 89 . 1 1 13 13 ARG HG3 H 1 1.627 0.025 . 2 . . . . 13 ARG HG3 . 16963 1 90 . 1 1 14 14 PRO HA H 1 4.586 0.025 . 1 . . . . 14 PRO HA . 16963 1 91 . 1 1 14 14 PRO HB2 H 1 2.436 0.025 . 2 . . . . 14 PRO HB2 . 16963 1 92 . 1 1 14 14 PRO HB3 H 1 2.074 0.025 . 2 . . . . 14 PRO HB3 . 16963 1 93 . 1 1 14 14 PRO HD2 H 1 3.577 0.025 . 2 . . . . 14 PRO HD2 . 16963 1 94 . 1 1 14 14 PRO HD3 H 1 3.342 0.025 . 2 . . . . 14 PRO HD3 . 16963 1 95 . 1 1 14 14 PRO HG2 H 1 2.055 0.025 . 2 . . . . 14 PRO HG2 . 16963 1 96 . 1 1 14 14 PRO HG3 H 1 1.580 0.025 . 2 . . . . 14 PRO HG3 . 16963 1 97 . 1 1 15 15 ARG H H 1 8.789 0.025 . 1 . . . . 15 ARG H . 16963 1 98 . 1 1 15 15 ARG HA H 1 4.281 0.025 . 1 . . . . 15 ARG HA . 16963 1 99 . 1 1 15 15 ARG HB2 H 1 1.654 0.025 . 2 . . . . 15 ARG HB2 . 16963 1 100 . 1 1 15 15 ARG HB3 H 1 1.431 0.025 . 2 . . . . 15 ARG HB3 . 16963 1 101 . 1 1 15 15 ARG HD2 H 1 2.888 0.025 . 2 . . . . 15 ARG HD2 . 16963 1 102 . 1 1 15 15 ARG HD3 H 1 2.766 0.025 . 2 . . . . 15 ARG HD3 . 16963 1 103 . 1 1 15 15 ARG HE H 1 6.924 0.025 . 1 . . . . 15 ARG HE . 16963 1 104 . 1 1 15 15 ARG HG2 H 1 1.347 0.025 . 2 . . . . 15 ARG HG2 . 16963 1 105 . 1 1 15 15 ARG HG3 H 1 1.273 0.025 . 2 . . . . 15 ARG HG3 . 16963 1 106 . 1 1 16 16 LYS H H 1 8.883 0.025 . 1 . . . . 16 LYS H . 16963 1 107 . 1 1 16 16 LYS HA H 1 4.517 0.025 . 1 . . . . 16 LYS HA . 16963 1 108 . 1 1 16 16 LYS HB2 H 1 1.796 0.025 . 2 . . . . 16 LYS HB2 . 16963 1 109 . 1 1 16 16 LYS HB3 H 1 1.596 0.025 . 2 . . . . 16 LYS HB3 . 16963 1 110 . 1 1 16 16 LYS HD2 H 1 1.660 0.025 . 1 . . . . 16 LYS HD2 . 16963 1 111 . 1 1 16 16 LYS HD3 H 1 1.660 0.025 . 1 . . . . 16 LYS HD3 . 16963 1 112 . 1 1 16 16 LYS HE2 H 1 2.919 0.025 . 1 . . . . 16 LYS HE2 . 16963 1 113 . 1 1 16 16 LYS HE3 H 1 2.919 0.025 . 1 . . . . 16 LYS HE3 . 16963 1 114 . 1 1 16 16 LYS HG2 H 1 1.422 0.025 . 2 . . . . 16 LYS HG2 . 16963 1 115 . 1 1 16 16 LYS HG3 H 1 1.370 0.025 . 2 . . . . 16 LYS HG3 . 16963 1 116 . 1 1 17 17 CYS H H 1 8.971 0.025 . 1 . . . . 17 CYS H . 16963 1 117 . 1 1 17 17 CYS HA H 1 4.589 0.025 . 1 . . . . 17 CYS HA . 16963 1 118 . 1 1 17 17 CYS HB2 H 1 2.661 0.025 . 2 . . . . 17 CYS HB2 . 16963 1 119 . 1 1 17 17 CYS HB3 H 1 2.285 0.025 . 2 . . . . 17 CYS HB3 . 16963 1 120 . 1 1 18 18 LYS H H 1 9.231 0.025 . 1 . . . . 18 LYS H . 16963 1 121 . 1 1 18 18 LYS HA H 1 4.308 0.025 . 1 . . . . 18 LYS HA . 16963 1 122 . 1 1 18 18 LYS HB2 H 1 1.769 0.025 . 2 . . . . 18 LYS HB2 . 16963 1 123 . 1 1 18 18 LYS HB3 H 1 1.466 0.025 . 2 . . . . 18 LYS HB3 . 16963 1 124 . 1 1 18 18 LYS HE2 H 1 2.980 0.025 . 1 . . . . 18 LYS HE2 . 16963 1 125 . 1 1 18 18 LYS HE3 H 1 2.980 0.025 . 1 . . . . 18 LYS HE3 . 16963 1 126 . 1 1 18 18 LYS HG2 H 1 1.347 0.025 . 1 . . . . 18 LYS HG2 . 16963 1 127 . 1 1 18 18 LYS HG3 H 1 1.347 0.025 . 1 . . . . 18 LYS HG3 . 16963 1 128 . 1 1 19 19 PRO HA H 1 4.638 0.025 . 1 . . . . 19 PRO HA . 16963 1 129 . 1 1 19 19 PRO HB2 H 1 2.352 0.025 . 2 . . . . 19 PRO HB2 . 16963 1 130 . 1 1 19 19 PRO HB3 H 1 1.781 0.025 . 2 . . . . 19 PRO HB3 . 16963 1 131 . 1 1 19 19 PRO HD2 H 1 4.186 0.025 . 2 . . . . 19 PRO HD2 . 16963 1 132 . 1 1 19 19 PRO HD3 H 1 3.648 0.025 . 2 . . . . 19 PRO HD3 . 16963 1 133 . 1 1 19 19 PRO HG2 H 1 2.116 0.025 . 2 . . . . 19 PRO HG2 . 16963 1 134 . 1 1 19 19 PRO HG3 H 1 2.011 0.025 . 2 . . . . 19 PRO HG3 . 16963 1 135 . 1 1 20 20 PRO HA H 1 4.628 0.025 . 1 . . . . 20 PRO HA . 16963 1 136 . 1 1 20 20 PRO HB2 H 1 2.432 0.025 . 2 . . . . 20 PRO HB2 . 16963 1 137 . 1 1 20 20 PRO HB3 H 1 2.007 0.025 . 2 . . . . 20 PRO HB3 . 16963 1 138 . 1 1 20 20 PRO HD2 H 1 3.505 0.025 . 2 . . . . 20 PRO HD2 . 16963 1 139 . 1 1 20 20 PRO HD3 H 1 3.357 0.025 . 2 . . . . 20 PRO HD3 . 16963 1 140 . 1 1 20 20 PRO HG2 H 1 1.959 0.025 . 2 . . . . 20 PRO HG2 . 16963 1 141 . 1 1 20 20 PRO HG3 H 1 1.531 0.025 . 2 . . . . 20 PRO HG3 . 16963 1 142 . 1 1 21 21 LEU H H 1 8.629 0.025 . 1 . . . . 21 LEU H . 16963 1 143 . 1 1 21 21 LEU HA H 1 4.142 0.025 . 1 . . . . 21 LEU HA . 16963 1 144 . 1 1 21 21 LEU HB2 H 1 1.865 0.025 . 2 . . . . 21 LEU HB2 . 16963 1 145 . 1 1 21 21 LEU HB3 H 1 1.018 0.025 . 2 . . . . 21 LEU HB3 . 16963 1 146 . 1 1 21 21 LEU HD11 H 1 0.774 0.025 . 2 . . . . 21 LEU HD1 . 16963 1 147 . 1 1 21 21 LEU HD12 H 1 0.774 0.025 . 2 . . . . 21 LEU HD1 . 16963 1 148 . 1 1 21 21 LEU HD13 H 1 0.774 0.025 . 2 . . . . 21 LEU HD1 . 16963 1 149 . 1 1 21 21 LEU HD21 H 1 0.548 0.025 . 2 . . . . 21 LEU HD2 . 16963 1 150 . 1 1 21 21 LEU HD22 H 1 0.548 0.025 . 2 . . . . 21 LEU HD2 . 16963 1 151 . 1 1 21 21 LEU HD23 H 1 0.548 0.025 . 2 . . . . 21 LEU HD2 . 16963 1 152 . 1 1 21 21 LEU HG H 1 1.676 0.025 . 1 . . . . 21 LEU HG . 16963 1 153 . 1 1 22 22 LYS H H 1 8.973 0.025 . 1 . . . . 22 LYS H . 16963 1 154 . 1 1 22 22 LYS HA H 1 4.517 0.025 . 1 . . . . 22 LYS HA . 16963 1 155 . 1 1 22 22 LYS HB2 H 1 1.605 0.025 . 2 . . . . 22 LYS HB2 . 16963 1 156 . 1 1 22 22 LYS HB3 H 1 1.511 0.025 . 2 . . . . 22 LYS HB3 . 16963 1 157 . 1 1 22 22 LYS HD2 H 1 1.418 0.025 . 2 . . . . 22 LYS HD2 . 16963 1 158 . 1 1 22 22 LYS HD3 H 1 1.370 0.025 . 2 . . . . 22 LYS HD3 . 16963 1 159 . 1 1 22 22 LYS HG2 H 1 1.276 0.025 . 2 . . . . 22 LYS HG2 . 16963 1 160 . 1 1 22 22 LYS HG3 H 1 1.230 0.025 . 2 . . . . 22 LYS HG3 . 16963 1 161 . 1 1 23 23 CYS H H 1 8.734 0.025 . 1 . . . . 23 CYS H . 16963 1 162 . 1 1 23 23 CYS HA H 1 4.752 0.025 . 1 . . . . 23 CYS HA . 16963 1 163 . 1 1 23 23 CYS HB2 H 1 3.102 0.025 . 2 . . . . 23 CYS HB2 . 16963 1 164 . 1 1 23 23 CYS HB3 H 1 3.037 0.025 . 2 . . . . 23 CYS HB3 . 16963 1 165 . 1 1 24 24 ASN H H 1 8.894 0.025 . 1 . . . . 24 ASN H . 16963 1 166 . 1 1 24 24 ASN HA H 1 4.712 0.025 . 1 . . . . 24 ASN HA . 16963 1 167 . 1 1 24 24 ASN HB2 H 1 3.640 0.025 . 2 . . . . 24 ASN HB2 . 16963 1 168 . 1 1 24 24 ASN HB3 H 1 2.799 0.025 . 2 . . . . 24 ASN HB3 . 16963 1 169 . 1 1 24 24 ASN HD21 H 1 7.428 0.025 . 2 . . . . 24 ASN HD21 . 16963 1 170 . 1 1 24 24 ASN HD22 H 1 6.799 0.025 . 2 . . . . 24 ASN HD22 . 16963 1 171 . 1 1 25 25 LYS H H 1 8.393 0.025 . 1 . . . . 25 LYS H . 16963 1 172 . 1 1 25 25 LYS HA H 1 4.002 0.025 . 1 . . . . 25 LYS HA . 16963 1 173 . 1 1 25 25 LYS HB2 H 1 1.791 0.025 . 1 . . . . 25 LYS HB2 . 16963 1 174 . 1 1 25 25 LYS HB3 H 1 1.791 0.025 . 1 . . . . 25 LYS HB3 . 16963 1 175 . 1 1 25 25 LYS HD2 H 1 1.660 0.025 . 1 . . . . 25 LYS HD2 . 16963 1 176 . 1 1 25 25 LYS HD3 H 1 1.660 0.025 . 1 . . . . 25 LYS HD3 . 16963 1 177 . 1 1 25 25 LYS HG2 H 1 1.465 0.025 . 1 . . . . 25 LYS HG2 . 16963 1 178 . 1 1 25 25 LYS HG3 H 1 1.465 0.025 . 1 . . . . 25 LYS HG3 . 16963 1 179 . 1 1 26 26 ALA H H 1 7.307 0.025 . 1 . . . . 26 ALA H . 16963 1 180 . 1 1 26 26 ALA HA H 1 4.371 0.025 . 1 . . . . 26 ALA HA . 16963 1 181 . 1 1 26 26 ALA HB1 H 1 1.371 0.025 . 1 . . . . 26 ALA HB . 16963 1 182 . 1 1 26 26 ALA HB2 H 1 1.371 0.025 . 1 . . . . 26 ALA HB . 16963 1 183 . 1 1 26 26 ALA HB3 H 1 1.371 0.025 . 1 . . . . 26 ALA HB . 16963 1 184 . 1 1 27 27 GLN H H 1 8.242 0.025 . 1 . . . . 27 GLN H . 16963 1 185 . 1 1 27 27 GLN HA H 1 3.845 0.025 . 1 . . . . 27 GLN HA . 16963 1 186 . 1 1 27 27 GLN HB2 H 1 2.054 0.025 . 2 . . . . 27 GLN HB2 . 16963 1 187 . 1 1 27 27 GLN HB3 H 1 1.836 0.025 . 2 . . . . 27 GLN HB3 . 16963 1 188 . 1 1 27 27 GLN HE21 H 1 6.892 0.025 . 2 . . . . 27 GLN HE21 . 16963 1 189 . 1 1 27 27 GLN HE22 H 1 7.620 0.025 . 2 . . . . 27 GLN HE22 . 16963 1 190 . 1 1 27 27 GLN HG2 H 1 2.391 0.025 . 2 . . . . 27 GLN HG2 . 16963 1 191 . 1 1 27 27 GLN HG3 H 1 2.189 0.025 . 2 . . . . 27 GLN HG3 . 16963 1 192 . 1 1 28 28 ILE H H 1 7.851 0.025 . 1 . . . . 28 ILE H . 16963 1 193 . 1 1 28 28 ILE HA H 1 4.726 0.025 . 1 . . . . 28 ILE HA . 16963 1 194 . 1 1 28 28 ILE HB H 1 1.490 0.025 . 1 . . . . 28 ILE HB . 16963 1 195 . 1 1 28 28 ILE HD11 H 1 0.783 0.025 . 1 . . . . 28 ILE HD1 . 16963 1 196 . 1 1 28 28 ILE HD12 H 1 0.783 0.025 . 1 . . . . 28 ILE HD1 . 16963 1 197 . 1 1 28 28 ILE HD13 H 1 0.783 0.025 . 1 . . . . 28 ILE HD1 . 16963 1 198 . 1 1 28 28 ILE HG12 H 1 1.278 0.025 . 2 . . . . 28 ILE HG12 . 16963 1 199 . 1 1 28 28 ILE HG13 H 1 0.994 0.025 . 2 . . . . 28 ILE HG13 . 16963 1 200 . 1 1 28 28 ILE HG21 H 1 0.760 0.025 . 1 . . . . 28 ILE HG2 . 16963 1 201 . 1 1 28 28 ILE HG22 H 1 0.760 0.025 . 1 . . . . 28 ILE HG2 . 16963 1 202 . 1 1 28 28 ILE HG23 H 1 0.760 0.025 . 1 . . . . 28 ILE HG2 . 16963 1 203 . 1 1 29 29 CYS H H 1 8.078 0.025 . 1 . . . . 29 CYS H . 16963 1 204 . 1 1 29 29 CYS HA H 1 5.010 0.025 . 1 . . . . 29 CYS HA . 16963 1 205 . 1 1 29 29 CYS HB2 H 1 2.980 0.025 . 2 . . . . 29 CYS HB2 . 16963 1 206 . 1 1 29 29 CYS HB3 H 1 2.428 0.025 . 2 . . . . 29 CYS HB3 . 16963 1 207 . 1 1 30 30 VAL H H 1 9.460 0.025 . 1 . . . . 30 VAL H . 16963 1 208 . 1 1 30 30 VAL HA H 1 4.727 0.025 . 1 . . . . 30 VAL HA . 16963 1 209 . 1 1 30 30 VAL HB H 1 2.167 0.025 . 1 . . . . 30 VAL HB . 16963 1 210 . 1 1 30 30 VAL HG11 H 1 0.831 0.025 . 1 . . . . 30 VAL HG1 . 16963 1 211 . 1 1 30 30 VAL HG12 H 1 0.831 0.025 . 1 . . . . 30 VAL HG1 . 16963 1 212 . 1 1 30 30 VAL HG13 H 1 0.831 0.025 . 1 . . . . 30 VAL HG1 . 16963 1 213 . 1 1 30 30 VAL HG21 H 1 0.831 0.025 . 1 . . . . 30 VAL HG2 . 16963 1 214 . 1 1 30 30 VAL HG22 H 1 0.831 0.025 . 1 . . . . 30 VAL HG2 . 16963 1 215 . 1 1 30 30 VAL HG23 H 1 0.831 0.025 . 1 . . . . 30 VAL HG2 . 16963 1 216 . 1 1 31 31 ASP H H 1 8.731 0.025 . 1 . . . . 31 ASP H . 16963 1 217 . 1 1 31 31 ASP HA H 1 4.704 0.025 . 1 . . . . 31 ASP HA . 16963 1 218 . 1 1 31 31 ASP HB2 H 1 2.827 0.025 . 2 . . . . 31 ASP HB2 . 16963 1 219 . 1 1 31 31 ASP HB3 H 1 2.458 0.025 . 2 . . . . 31 ASP HB3 . 16963 1 220 . 1 1 32 32 PRO HA H 1 4.306 0.025 . 1 . . . . 32 PRO HA . 16963 1 221 . 1 1 32 32 PRO HB2 H 1 2.146 0.025 . 2 . . . . 32 PRO HB2 . 16963 1 222 . 1 1 32 32 PRO HB3 H 1 2.026 0.025 . 2 . . . . 32 PRO HB3 . 16963 1 223 . 1 1 32 32 PRO HD2 H 1 3.915 0.025 . 2 . . . . 32 PRO HD2 . 16963 1 224 . 1 1 32 32 PRO HD3 H 1 3.857 0.025 . 2 . . . . 32 PRO HD3 . 16963 1 225 . 1 1 32 32 PRO HG2 H 1 1.969 0.025 . 2 . . . . 32 PRO HG2 . 16963 1 226 . 1 1 32 32 PRO HG3 H 1 1.933 0.025 . 2 . . . . 32 PRO HG3 . 16963 1 227 . 1 1 33 33 ASN H H 1 8.458 0.025 . 1 . . . . 33 ASN H . 16963 1 228 . 1 1 33 33 ASN HA H 1 4.652 0.025 . 1 . . . . 33 ASN HA . 16963 1 229 . 1 1 33 33 ASN HB2 H 1 2.752 0.025 . 1 . . . . 33 ASN HB2 . 16963 1 230 . 1 1 33 33 ASN HB3 H 1 2.752 0.025 . 1 . . . . 33 ASN HB3 . 16963 1 231 . 1 1 33 33 ASN HD21 H 1 7.838 0.025 . 2 . . . . 33 ASN HD21 . 16963 1 232 . 1 1 33 33 ASN HD22 H 1 7.008 0.025 . 2 . . . . 33 ASN HD22 . 16963 1 233 . 1 1 34 34 LYS H H 1 7.935 0.025 . 1 . . . . 34 LYS H . 16963 1 234 . 1 1 34 34 LYS HA H 1 4.283 0.025 . 1 . . . . 34 LYS HA . 16963 1 235 . 1 1 34 34 LYS HB2 H 1 1.811 0.025 . 2 . . . . 34 LYS HB2 . 16963 1 236 . 1 1 34 34 LYS HB3 H 1 1.748 0.025 . 2 . . . . 34 LYS HB3 . 16963 1 237 . 1 1 34 34 LYS HD2 H 1 1.631 0.025 . 1 . . . . 34 LYS HD2 . 16963 1 238 . 1 1 34 34 LYS HD3 H 1 1.631 0.025 . 1 . . . . 34 LYS HD3 . 16963 1 239 . 1 1 34 34 LYS HG2 H 1 1.323 0.025 . 2 . . . . 34 LYS HG2 . 16963 1 240 . 1 1 34 34 LYS HG3 H 1 1.277 0.025 . 2 . . . . 34 LYS HG3 . 16963 1 241 . 1 1 35 35 GLY H H 1 8.223 0.025 . 1 . . . . 35 GLY H . 16963 1 242 . 1 1 35 35 GLY HA2 H 1 3.955 0.025 . 2 . . . . 35 GLY HA2 . 16963 1 243 . 1 1 35 35 GLY HA3 H 1 3.821 0.025 . 2 . . . . 35 GLY HA3 . 16963 1 244 . 1 1 36 36 TRP H H 1 7.733 0.025 . 1 . . . . 36 TRP H . 16963 1 245 . 1 1 36 36 TRP HA H 1 4.557 0.025 . 1 . . . . 36 TRP HA . 16963 1 246 . 1 1 36 36 TRP HB2 H 1 3.317 0.025 . 2 . . . . 36 TRP HB2 . 16963 1 247 . 1 1 36 36 TRP HB3 H 1 3.224 0.025 . 2 . . . . 36 TRP HB3 . 16963 1 248 . 1 1 36 36 TRP HD1 H 1 7.208 0.025 . 1 . . . . 36 TRP HD1 . 16963 1 249 . 1 1 36 36 TRP HE1 H 1 10.153 0.025 . 1 . . . . 36 TRP HE1 . 16963 1 250 . 1 1 36 36 TRP HE3 H 1 7.658 0.025 . 1 . . . . 36 TRP HE3 . 16963 1 251 . 1 1 36 36 TRP HH2 H 1 7.198 0.025 . 1 . . . . 36 TRP HH2 . 16963 1 252 . 1 1 36 36 TRP HZ2 H 1 7.479 0.025 . 1 . . . . 36 TRP HZ2 . 16963 1 253 . 1 1 36 36 TRP HZ3 H 1 7.124 0.025 . 1 . . . . 36 TRP HZ3 . 16963 1 stop_ save_