################################### # 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 19828 _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 '3D 1H-15N NOESY' . . . 19828 1 2 '3D HNHA' . . . 19828 1 3 '3D 1H- 13C NOESY' . . . 19828 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 GLU HA H 1 3.9816 0 . 1 1 . . A 1 GLU HA . 19828 1 2 . 1 1 1 1 GLU HB2 H 1 2.1136 0 . 2 1 . . A 1 GLU HB2 . 19828 1 3 . 1 1 1 1 GLU HB3 H 1 2.1006 0 . 2 1 . . A 1 GLU HB3 . 19828 1 4 . 1 1 1 1 GLU HG2 H 1 2.3466 0 . 2 1 . . A 1 GLU HG2 . 19828 1 5 . 1 1 1 1 GLU HG3 H 1 2.3466 0 . 2 1 . . A 1 GLU HG3 . 19828 1 6 . 1 1 1 1 GLU CA C 13 55.799 0 . 1 1 . . A 1 GLU CA . 19828 1 7 . 1 1 1 1 GLU CB C 13 30.392 0.001 . 1 1 . . A 1 GLU CB . 19828 1 8 . 1 1 1 1 GLU CG C 13 35.603 0 . 1 1 . . A 1 GLU CG . 19828 1 9 . 1 1 2 2 LYS HA H 1 4.2076 0 . 1 1 . . A 2 LYS HA . 19828 1 10 . 1 1 2 2 LYS HB2 H 1 1.7706 0 . 2 1 . . A 2 LYS HB2 . 19828 1 11 . 1 1 2 2 LYS HB3 H 1 1.7706 0 . 2 1 . . A 2 LYS HB3 . 19828 1 12 . 1 1 2 2 LYS HG2 H 1 1.3426 0 . 2 1 . . A 2 LYS HG2 . 19828 1 13 . 1 1 2 2 LYS HG3 H 1 1.2936 0 . 2 1 . . A 2 LYS HG3 . 19828 1 14 . 1 1 2 2 LYS HD2 H 1 1.6636 0 . 2 1 . . A 2 LYS HD2 . 19828 1 15 . 1 1 2 2 LYS HD3 H 1 1.6636 0 . 2 1 . . A 2 LYS HD3 . 19828 1 16 . 1 1 2 2 LYS HE2 H 1 2.9306 0 . 2 1 . . A 2 LYS HE2 . 19828 1 17 . 1 1 2 2 LYS HE3 H 1 2.9306 0 . 2 1 . . A 2 LYS HE3 . 19828 1 18 . 1 1 2 2 LYS CA C 13 57.604 0 . 1 1 . . A 2 LYS CA . 19828 1 19 . 1 1 2 2 LYS CB C 13 32.8 0 . 1 1 . . A 2 LYS CB . 19828 1 20 . 1 1 2 2 LYS CG C 13 24.593 0.001 . 1 1 . . A 2 LYS CG . 19828 1 21 . 1 1 2 2 LYS CD C 13 28.817 0 . 1 1 . . A 2 LYS CD . 19828 1 22 . 1 1 2 2 LYS CE C 13 41.439 0 . 1 1 . . A 2 LYS CE . 19828 1 23 . 1 1 3 3 PHE H H 1 8.9796 0 . 1 1 . . A 3 PHE H . 19828 1 24 . 1 1 3 3 PHE HA H 1 4.4156 0 . 1 1 . . A 3 PHE HA . 19828 1 25 . 1 1 3 3 PHE HB2 H 1 3.3506 0 . 2 1 . . A 3 PHE HB2 . 19828 1 26 . 1 1 3 3 PHE HB3 H 1 3.1566 0 . 2 1 . . A 3 PHE HB3 . 19828 1 27 . 1 1 3 3 PHE HD1 H 1 7.2916 0 . 3 1 . . A 3 PHE HD1 . 19828 1 28 . 1 1 3 3 PHE HD2 H 1 7.2916 0 . 3 1 . . A 3 PHE HD2 . 19828 1 29 . 1 1 3 3 PHE HE1 H 1 7.2736 0 . 1 1 . . A 3 PHE HE1 . 19828 1 30 . 1 1 3 3 PHE HZ H 1 7.1126 0 . 1 1 . . A 3 PHE HZ . 19828 1 31 . 1 1 3 3 PHE CA C 13 60.64 0 . 1 1 . . A 3 PHE CA . 19828 1 32 . 1 1 3 3 PHE CB C 13 38.442 0.001 . 1 1 . . A 3 PHE CB . 19828 1 33 . 1 1 3 3 PHE CD1 C 13 131.322 0 . 3 1 . . A 3 PHE CD1 . 19828 1 34 . 1 1 3 3 PHE CD2 C 13 131.322 0 . 3 1 . . A 3 PHE CD2 . 19828 1 35 . 1 1 3 3 PHE CE1 C 13 130.625 0 . 1 1 . . A 3 PHE CE1 . 19828 1 36 . 1 1 3 3 PHE CZ C 13 132.584 0 . 1 1 . . A 3 PHE CZ . 19828 1 37 . 1 1 3 3 PHE N N 15 120.909 0 . 1 1 . . A 3 PHE N . 19828 1 38 . 1 1 4 4 ARG H H 1 8.9856 0 . 1 1 . . A 4 ARG H . 19828 1 39 . 1 1 4 4 ARG HA H 1 3.8636 0 . 1 1 . . A 4 ARG HA . 19828 1 40 . 1 1 4 4 ARG HB2 H 1 1.9026 0 . 2 1 . . A 4 ARG HB2 . 19828 1 41 . 1 1 4 4 ARG HB3 H 1 1.9026 0 . 2 1 . . A 4 ARG HB3 . 19828 1 42 . 1 1 4 4 ARG HG2 H 1 1.6986 0 . 2 1 . . A 4 ARG HG2 . 19828 1 43 . 1 1 4 4 ARG HG3 H 1 1.6256 0 . 2 1 . . A 4 ARG HG3 . 19828 1 44 . 1 1 4 4 ARG HD2 H 1 3.2236 0 . 2 1 . . A 4 ARG HD2 . 19828 1 45 . 1 1 4 4 ARG HD3 H 1 3.2236 0 . 2 1 . . A 4 ARG HD3 . 19828 1 46 . 1 1 4 4 ARG CA C 13 59.263 0 . 1 1 . . A 4 ARG CA . 19828 1 47 . 1 1 4 4 ARG CB C 13 29.457 0 . 1 1 . . A 4 ARG CB . 19828 1 48 . 1 1 4 4 ARG CG C 13 27.795 0.001 . 1 1 . . A 4 ARG CG . 19828 1 49 . 1 1 4 4 ARG CD C 13 42.983 0 . 1 1 . . A 4 ARG CD . 19828 1 50 . 1 1 4 4 ARG N N 15 119.516 0 . 1 1 . . A 4 ARG N . 19828 1 51 . 1 1 5 5 ARG H H 1 7.9966 0 . 1 1 . . A 5 ARG H . 19828 1 52 . 1 1 5 5 ARG HA H 1 4.1246 0 . 1 1 . . A 5 ARG HA . 19828 1 53 . 1 1 5 5 ARG HB2 H 1 1.8436 0 . 2 1 . . A 5 ARG HB2 . 19828 1 54 . 1 1 5 5 ARG HB3 H 1 1.8436 0 . 2 1 . . A 5 ARG HB3 . 19828 1 55 . 1 1 5 5 ARG HG2 H 1 1.5316 0 . 1 1 . . A 5 ARG HG2 . 19828 1 56 . 1 1 5 5 ARG HG3 H 1 1.5156 0 . 1 1 . . A 5 ARG HG3 . 19828 1 57 . 1 1 5 5 ARG HD2 H 1 3.1626 0 . 2 1 . . A 5 ARG HD2 . 19828 1 58 . 1 1 5 5 ARG HD3 H 1 3.1626 0 . 2 1 . . A 5 ARG HD3 . 19828 1 59 . 1 1 5 5 ARG CA C 13 58.426 0 . 1 1 . . A 5 ARG CA . 19828 1 60 . 1 1 5 5 ARG CB C 13 29.266 0 . 1 1 . . A 5 ARG CB . 19828 1 61 . 1 1 5 5 ARG CG C 13 26.885 0.002 . 1 1 . . A 5 ARG CG . 19828 1 62 . 1 1 5 5 ARG CD C 13 42.814 0 . 1 1 . . A 5 ARG CD . 19828 1 63 . 1 1 5 5 ARG N N 15 119.466 0 . 1 1 . . A 5 ARG N . 19828 1 64 . 1 1 6 6 TYR H H 1 7.9946 0 . 1 1 . . A 6 TYR H . 19828 1 65 . 1 1 6 6 TYR HB2 H 1 3.1206 0 . 2 1 . . A 6 TYR HB2 . 19828 1 66 . 1 1 6 6 TYR HB3 H 1 3.0896 0 . 2 1 . . A 6 TYR HB3 . 19828 1 67 . 1 1 6 6 TYR HD1 H 1 7.0636 0 . 3 1 . . A 6 TYR HD1 . 19828 1 68 . 1 1 6 6 TYR HD2 H 1 7.0636 0 . 3 1 . . A 6 TYR HD2 . 19828 1 69 . 1 1 6 6 TYR HE1 H 1 6.7866 0 . 3 1 . . A 6 TYR HE1 . 19828 1 70 . 1 1 6 6 TYR HE2 H 1 6.7866 0 . 3 1 . . A 6 TYR HE2 . 19828 1 71 . 1 1 6 6 TYR CB C 13 37.706 0.001 . 1 1 . . A 6 TYR CB . 19828 1 72 . 1 1 6 6 TYR CD1 C 13 132.19 0 . 3 1 . . A 6 TYR CD1 . 19828 1 73 . 1 1 6 6 TYR CD2 C 13 132.19 0 . 3 1 . . A 6 TYR CD2 . 19828 1 74 . 1 1 6 6 TYR CE1 C 13 117.778 0 . 3 1 . . A 6 TYR CE1 . 19828 1 75 . 1 1 6 6 TYR CE2 C 13 117.778 0 . 3 1 . . A 6 TYR CE2 . 19828 1 76 . 1 1 6 6 TYR N N 15 118.856 0 . 1 1 . . A 6 TYR N . 19828 1 77 . 1 1 7 7 LEU H H 1 8.1056 0 . 1 1 . . A 7 LEU H . 19828 1 78 . 1 1 7 7 LEU HA H 1 4.1356 0 . 1 1 . . A 7 LEU HA . 19828 1 79 . 1 1 7 7 LEU HB2 H 1 1.8756 0 . 2 1 . . A 7 LEU HB2 . 19828 1 80 . 1 1 7 7 LEU HB3 H 1 1.5976 0 . 2 1 . . A 7 LEU HB3 . 19828 1 81 . 1 1 7 7 LEU HG H 1 1.8096 0 . 1 1 . . A 7 LEU HG . 19828 1 82 . 1 1 7 7 LEU HD11 H 1 0.9076 0 . 2 1 . . A 7 LEU HD11 . 19828 1 83 . 1 1 7 7 LEU HD12 H 1 0.9076 0 . 2 1 . . A 7 LEU HD12 . 19828 1 84 . 1 1 7 7 LEU HD13 H 1 0.9076 0 . 2 1 . . A 7 LEU HD13 . 19828 1 85 . 1 1 7 7 LEU HD21 H 1 0.9076 0 . 2 1 . . A 7 LEU HD21 . 19828 1 86 . 1 1 7 7 LEU HD22 H 1 0.9076 0 . 2 1 . . A 7 LEU HD22 . 19828 1 87 . 1 1 7 7 LEU HD23 H 1 0.9076 0 . 2 1 . . A 7 LEU HD23 . 19828 1 88 . 1 1 7 7 LEU CA C 13 57.261 0 . 1 1 . . A 7 LEU CA . 19828 1 89 . 1 1 7 7 LEU CB C 13 41.612 0.001 . 1 1 . . A 7 LEU CB . 19828 1 90 . 1 1 7 7 LEU CG C 13 26.777 0 . 1 1 . . A 7 LEU CG . 19828 1 91 . 1 1 7 7 LEU CD1 C 13 25.312 0 . 2 1 . . A 7 LEU CD1 . 19828 1 92 . 1 1 7 7 LEU CD2 C 13 25.312 0 . 2 1 . . A 7 LEU CD2 . 19828 1 93 . 1 1 7 7 LEU N N 15 117.83 0 . 1 1 . . A 7 LEU N . 19828 1 94 . 1 1 8 8 SER H H 1 8.0896 0 . 1 1 . . A 8 SER H . 19828 1 95 . 1 1 8 8 SER HA H 1 4.1906 0 . 1 1 . . A 8 SER HA . 19828 1 96 . 1 1 8 8 SER HB2 H 1 4.0566 0 . 2 1 . . A 8 SER HB2 . 19828 1 97 . 1 1 8 8 SER HB3 H 1 4.0566 0 . 2 1 . . A 8 SER HB3 . 19828 1 98 . 1 1 8 8 SER CA C 13 61.537 0 . 1 1 . . A 8 SER CA . 19828 1 99 . 1 1 8 8 SER CB C 13 62.607 0 . 1 1 . . A 8 SER CB . 19828 1 100 . 1 1 8 8 SER N N 15 113.703 0 . 1 1 . . A 8 SER N . 19828 1 101 . 1 1 9 9 VAL H H 1 7.7556 0 . 1 1 . . A 9 VAL H . 19828 1 102 . 1 1 9 9 VAL HA H 1 3.7186 0 . 1 1 . . A 9 VAL HA . 19828 1 103 . 1 1 9 9 VAL HB H 1 2.1196 0 . 1 1 . . A 9 VAL HB . 19828 1 104 . 1 1 9 9 VAL HG11 H 1 1.0156 0 . 2 1 . . A 9 VAL HG11 . 19828 1 105 . 1 1 9 9 VAL HG12 H 1 1.0156 0 . 2 1 . . A 9 VAL HG12 . 19828 1 106 . 1 1 9 9 VAL HG13 H 1 1.0156 0 . 2 1 . . A 9 VAL HG13 . 19828 1 107 . 1 1 9 9 VAL HG21 H 1 0.8676 0 . 2 1 . . A 9 VAL HG21 . 19828 1 108 . 1 1 9 9 VAL HG22 H 1 0.8676 0 . 2 1 . . A 9 VAL HG22 . 19828 1 109 . 1 1 9 9 VAL HG23 H 1 0.8676 0 . 2 1 . . A 9 VAL HG23 . 19828 1 110 . 1 1 9 9 VAL CA C 13 65.38 0 . 1 1 . . A 9 VAL CA . 19828 1 111 . 1 1 9 9 VAL CB C 13 31.412 0 . 1 1 . . A 9 VAL CB . 19828 1 112 . 1 1 9 9 VAL CG1 C 13 21.861 0 . 1 1 . . A 9 VAL CG1 . 19828 1 113 . 1 1 9 9 VAL CG2 C 13 20.77 0 . 1 1 . . A 9 VAL CG2 . 19828 1 114 . 1 1 9 9 VAL N N 15 120.306 0 . 1 1 . . A 9 VAL N . 19828 1 115 . 1 1 10 10 PHE H H 1 7.9026 0 . 1 1 . . A 10 PHE H . 19828 1 116 . 1 1 10 10 PHE HA H 1 4.2136 0 . 1 1 . . A 10 PHE HA . 19828 1 117 . 1 1 10 10 PHE HB2 H 1 3.0036 0 . 2 1 . . A 10 PHE HB2 . 19828 1 118 . 1 1 10 10 PHE HB3 H 1 3.0036 0 . 2 1 . . A 10 PHE HB3 . 19828 1 119 . 1 1 10 10 PHE HD1 H 1 7.0076 0 . 3 1 . . A 10 PHE HD1 . 19828 1 120 . 1 1 10 10 PHE HD2 H 1 7.0076 0 . 3 1 . . A 10 PHE HD2 . 19828 1 121 . 1 1 10 10 PHE HE1 H 1 7.0976 0 . 3 1 . . A 10 PHE HE1 . 19828 1 122 . 1 1 10 10 PHE HE2 H 1 7.0976 0 . 3 1 . . A 10 PHE HE2 . 19828 1 123 . 1 1 10 10 PHE HZ H 1 7.0036 0 . 1 1 . . A 10 PHE HZ . 19828 1 124 . 1 1 10 10 PHE CA C 13 60.757 0 . 1 1 . . A 10 PHE CA . 19828 1 125 . 1 1 10 10 PHE CB C 13 39.205 0 . 1 1 . . A 10 PHE CB . 19828 1 126 . 1 1 10 10 PHE CD1 C 13 131.457 0 . 3 1 . . A 10 PHE CD1 . 19828 1 127 . 1 1 10 10 PHE CD2 C 13 131.457 0 . 3 1 . . A 10 PHE CD2 . 19828 1 128 . 1 1 10 10 PHE CE1 C 13 130.606 0 . 3 1 . . A 10 PHE CE1 . 19828 1 129 . 1 1 10 10 PHE CE2 C 13 130.606 0 . 3 1 . . A 10 PHE CE2 . 19828 1 130 . 1 1 10 10 PHE CZ C 13 128.778 0 . 1 1 . . A 10 PHE CZ . 19828 1 131 . 1 1 10 10 PHE N N 15 119.347 0 . 1 1 . . A 10 PHE N . 19828 1 132 . 1 1 11 11 PHE H H 1 8.3526 0 . 1 1 . . A 11 PHE H . 19828 1 133 . 1 1 11 11 PHE HA H 1 4.3506 0 . 1 1 . . A 11 PHE HA . 19828 1 134 . 1 1 11 11 PHE HB2 H 1 3.3016 0 . 1 1 . . A 11 PHE HB2 . 19828 1 135 . 1 1 11 11 PHE HB3 H 1 3.1326 0 . 1 1 . . A 11 PHE HB3 . 19828 1 136 . 1 1 11 11 PHE HD1 H 1 7.3606 0 . 3 1 . . A 11 PHE HD1 . 19828 1 137 . 1 1 11 11 PHE HD2 H 1 7.3606 0 . 3 1 . . A 11 PHE HD2 . 19828 1 138 . 1 1 11 11 PHE HE1 H 1 7.1776 0 . 3 1 . . A 11 PHE HE1 . 19828 1 139 . 1 1 11 11 PHE HE2 H 1 7.1776 0 . 3 1 . . A 11 PHE HE2 . 19828 1 140 . 1 1 11 11 PHE HZ H 1 7.2346 0 . 1 1 . . A 11 PHE HZ . 19828 1 141 . 1 1 11 11 PHE CA C 13 59.844 0 . 1 1 . . A 11 PHE CA . 19828 1 142 . 1 1 11 11 PHE CB C 13 38.992 0.006 . 1 1 . . A 11 PHE CB . 19828 1 143 . 1 1 11 11 PHE CD1 C 13 131.543 0 . 3 1 . . A 11 PHE CD1 . 19828 1 144 . 1 1 11 11 PHE CD2 C 13 131.543 0 . 3 1 . . A 11 PHE CD2 . 19828 1 145 . 1 1 11 11 PHE CE1 C 13 128.844 0 . 3 1 . . A 11 PHE CE1 . 19828 1 146 . 1 1 11 11 PHE CE2 C 13 128.844 0 . 3 1 . . A 11 PHE CE2 . 19828 1 147 . 1 1 11 11 PHE CZ C 13 129.15 0 . 1 1 . . A 11 PHE CZ . 19828 1 148 . 1 1 11 11 PHE N N 15 116.549 0 . 1 1 . . A 11 PHE N . 19828 1 149 . 1 1 12 12 ARG H H 1 8.0536 0 . 1 1 . . A 12 ARG H . 19828 1 150 . 1 1 12 12 ARG HA H 1 4.1246 0 . 1 1 . . A 12 ARG HA . 19828 1 151 . 1 1 12 12 ARG HB2 H 1 1.9556 0 . 2 1 . . A 12 ARG HB2 . 19828 1 152 . 1 1 12 12 ARG HB3 H 1 1.9376 0 . 2 1 . . A 12 ARG HB3 . 19828 1 153 . 1 1 12 12 ARG HG2 H 1 1.7956 0 . 2 1 . . A 12 ARG HG2 . 19828 1 154 . 1 1 12 12 ARG HG3 H 1 1.7096 0 . 2 1 . . A 12 ARG HG3 . 19828 1 155 . 1 1 12 12 ARG CA C 13 57.755 0 . 1 1 . . A 12 ARG CA . 19828 1 156 . 1 1 12 12 ARG CB C 13 29.799 0.001 . 1 1 . . A 12 ARG CB . 19828 1 157 . 1 1 12 12 ARG CG C 13 27.361 0.001 . 1 1 . . A 12 ARG CG . 19828 1 158 . 1 1 12 12 ARG N N 15 118.598 0 . 1 1 . . A 12 ARG N . 19828 1 159 . 1 1 13 13 LYS H H 1 7.9846 0 . 1 1 . . A 13 LYS H . 19828 1 160 . 1 1 13 13 LYS HA H 1 4.1066 0 . 1 1 . . A 13 LYS HA . 19828 1 161 . 1 1 13 13 LYS HB2 H 1 1.6556 0 . 2 1 . . A 13 LYS HB2 . 19828 1 162 . 1 1 13 13 LYS HB3 H 1 1.5246 0 . 2 1 . . A 13 LYS HB3 . 19828 1 163 . 1 1 13 13 LYS HG2 H 1 1.2516 0 . 2 1 . . A 13 LYS HG2 . 19828 1 164 . 1 1 13 13 LYS HG3 H 1 1.1496 0 . 2 1 . . A 13 LYS HG3 . 19828 1 165 . 1 1 13 13 LYS HE2 H 1 2.8696 0 . 2 1 . . A 13 LYS HE2 . 19828 1 166 . 1 1 13 13 LYS HE3 H 1 2.8696 0 . 2 1 . . A 13 LYS HE3 . 19828 1 167 . 1 1 13 13 LYS CA C 13 56.948 0 . 1 1 . . A 13 LYS CA . 19828 1 168 . 1 1 13 13 LYS CB C 13 32.384 0.001 . 1 1 . . A 13 LYS CB . 19828 1 169 . 1 1 13 13 LYS CG C 13 24.425 0.001 . 1 1 . . A 13 LYS CG . 19828 1 170 . 1 1 13 13 LYS CE C 13 41.383 0 . 1 1 . . A 13 LYS CE . 19828 1 171 . 1 1 13 13 LYS N N 15 118.191 0 . 1 1 . . A 13 LYS N . 19828 1 172 . 1 1 14 14 HIS H H 1 7.8236 0 . 1 1 . . A 14 HIS H . 19828 1 173 . 1 1 14 14 HIS HA H 1 4.6296 0 . 1 1 . . A 14 HIS HA . 19828 1 174 . 1 1 14 14 HIS HB2 H 1 3.1426 0 . 2 1 . . A 14 HIS HB2 . 19828 1 175 . 1 1 14 14 HIS HB3 H 1 2.6986 0 . 2 1 . . A 14 HIS HB3 . 19828 1 176 . 1 1 14 14 HIS HD2 H 1 6.6946 0 . 1 1 . . A 14 HIS HD2 . 19828 1 177 . 1 1 14 14 HIS HE1 H 1 7.9986 0 . 1 1 . . A 14 HIS HE1 . 19828 1 178 . 1 1 14 14 HIS CA C 13 56.438 0 . 1 1 . . A 14 HIS CA . 19828 1 179 . 1 1 14 14 HIS CB C 13 30.785 0.002 . 1 1 . . A 14 HIS CB . 19828 1 180 . 1 1 14 14 HIS CD2 C 13 119.896 0 . 1 1 . . A 14 HIS CD2 . 19828 1 181 . 1 1 14 14 HIS CE1 C 13 137.285 0 . 1 1 . . A 14 HIS CE1 . 19828 1 182 . 1 1 14 14 HIS N N 15 116.316 0 . 1 1 . . A 14 HIS N . 19828 1 183 . 1 1 15 15 ILE H H 1 7.8566 0 . 1 1 . . A 15 ILE H . 19828 1 184 . 1 1 15 15 ILE HA H 1 4.3136 0 . 1 1 . . A 15 ILE HA . 19828 1 185 . 1 1 15 15 ILE HB H 1 1.8946 0 . 1 1 . . A 15 ILE HB . 19828 1 186 . 1 1 15 15 ILE HG12 H 1 1.3966 0 . 2 1 . . A 15 ILE HG12 . 19828 1 187 . 1 1 15 15 ILE HG13 H 1 1.1876 0 . 2 1 . . A 15 ILE HG13 . 19828 1 188 . 1 1 15 15 ILE HG21 H 1 0.8636 0 . 1 1 . . A 15 ILE HG21 . 19828 1 189 . 1 1 15 15 ILE HG22 H 1 0.8636 0 . 1 1 . . A 15 ILE HG22 . 19828 1 190 . 1 1 15 15 ILE HG23 H 1 0.8636 0 . 1 1 . . A 15 ILE HG23 . 19828 1 191 . 1 1 15 15 ILE HD11 H 1 0.7966 0 . 1 1 . . A 15 ILE HD11 . 19828 1 192 . 1 1 15 15 ILE HD12 H 1 0.7966 0 . 1 1 . . A 15 ILE HD12 . 19828 1 193 . 1 1 15 15 ILE HD13 H 1 0.7966 0 . 1 1 . . A 15 ILE HD13 . 19828 1 194 . 1 1 15 15 ILE CA C 13 60.556 0 . 1 1 . . A 15 ILE CA . 19828 1 195 . 1 1 15 15 ILE CB C 13 37.867 0 . 1 1 . . A 15 ILE CB . 19828 1 196 . 1 1 15 15 ILE CG1 C 13 26.852 0.001 . 1 1 . . A 15 ILE CG1 . 19828 1 197 . 1 1 15 15 ILE CG2 C 13 17.528 0 . 1 1 . . A 15 ILE CG2 . 19828 1 198 . 1 1 15 15 ILE CD1 C 13 12.614 0 . 1 1 . . A 15 ILE CD1 . 19828 1 199 . 1 1 15 15 ILE N N 15 119.074 0 . 1 1 . . A 15 ILE N . 19828 1 200 . 1 1 16 16 THR H H 1 7.5236 0 . 1 1 . . A 16 THR H . 19828 1 201 . 1 1 16 16 THR HA H 1 4.1076 0 . 1 1 . . A 16 THR HA . 19828 1 202 . 1 1 16 16 THR HB H 1 4.1796 0 . 1 1 . . A 16 THR HB . 19828 1 203 . 1 1 16 16 THR HG21 H 1 1.1206 0 . 1 1 . . A 16 THR HG21 . 19828 1 204 . 1 1 16 16 THR HG22 H 1 1.1206 0 . 1 1 . . A 16 THR HG22 . 19828 1 205 . 1 1 16 16 THR HG23 H 1 1.1206 0 . 1 1 . . A 16 THR HG23 . 19828 1 206 . 1 1 16 16 THR CA C 13 62.815 0 . 1 1 . . A 16 THR CA . 19828 1 207 . 1 1 16 16 THR CB C 13 70.229 0 . 1 1 . . A 16 THR CB . 19828 1 208 . 1 1 16 16 THR CG2 C 13 21.728 0 . 1 1 . . A 16 THR CG2 . 19828 1 209 . 1 1 16 16 THR N N 15 121.191 0 . 1 1 . . A 16 THR N . 19828 1 stop_ save_