################################### # 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 17556 _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-15N HSQC' . . . 17556 1 2 '2D 1H-13C HSQC aliphatic' . . . 17556 1 3 '2D 1H-13C HSQC aromatic' . . . 17556 1 4 '2D 1H-1H NOESY' . . . 17556 1 5 '2D 1H-1H TOCSY' . . . 17556 1 6 '2D DQF-COSY' . . . 17556 1 7 '2D 1H-13C HSQC-TOCSY' . . . 17556 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 THR HA H 1 3.806 0.010 . 1 . . . . 1 THR HA . 17556 1 2 . 1 1 1 1 THR HB H 1 4.133 0.010 . 1 . . . . 1 THR HB . 17556 1 3 . 1 1 1 1 THR HG21 H 1 1.165 0.010 . 1 . . . . 1 THR HG2 . 17556 1 4 . 1 1 1 1 THR HG22 H 1 1.165 0.010 . 1 . . . . 1 THR HG2 . 17556 1 5 . 1 1 1 1 THR HG23 H 1 1.165 0.010 . 1 . . . . 1 THR HG2 . 17556 1 6 . 1 1 1 1 THR CA C 13 58.375 0.020 . 1 . . . . 1 THR CA . 17556 1 7 . 1 1 1 1 THR CB C 13 66.425 0.020 . 1 . . . . 1 THR CB . 17556 1 8 . 1 1 1 1 THR CG2 C 13 18.684 0.020 . 1 . . . . 1 THR CG2 . 17556 1 9 . 1 1 2 2 ASP HA H 1 4.442 0.010 . 1 . . . . 2 ASP HA . 17556 1 10 . 1 1 2 2 ASP HB2 H 1 2.465 0.010 . 1 . . . . 2 ASP HB2 . 17556 1 11 . 1 1 2 2 ASP HB3 H 1 2.592 0.010 . 1 . . . . 2 ASP HB3 . 17556 1 12 . 1 1 2 2 ASP CA C 13 52.591 0.020 . 1 . . . . 2 ASP CA . 17556 1 13 . 1 1 2 2 ASP CB C 13 37.969 0.020 . 1 . . . . 2 ASP CB . 17556 1 14 . 1 1 3 3 GLU H H 1 8.440 0.010 . 1 . . . . 3 GLU H . 17556 1 15 . 1 1 3 3 GLU HA H 1 3.987 0.010 . 1 . . . . 3 GLU HA . 17556 1 16 . 1 1 3 3 GLU HB2 H 1 1.845 0.010 . 1 . . . . 3 GLU HB2 . 17556 1 17 . 1 1 3 3 GLU HB3 H 1 1.778 0.010 . 1 . . . . 3 GLU HB3 . 17556 1 18 . 1 1 3 3 GLU HG2 H 1 2.117 0.010 . 2 . . . . 3 GLU HG . 17556 1 19 . 1 1 3 3 GLU HG3 H 1 2.117 0.010 . 2 . . . . 3 GLU HG . 17556 1 20 . 1 1 3 3 GLU CA C 13 55.002 0.020 . 1 . . . . 3 GLU CA . 17556 1 21 . 1 1 3 3 GLU CB C 13 27.154 0.020 . 1 . . . . 3 GLU CB . 17556 1 22 . 1 1 3 3 GLU CG C 13 33.453 0.020 . 1 . . . . 3 GLU CG . 17556 1 23 . 1 1 3 3 GLU N N 15 120.879 0.020 . 1 . . . . 3 GLU N . 17556 1 24 . 1 1 4 4 ASP H H 1 8.118 0.010 . 1 . . . . 4 ASP H . 17556 1 25 . 1 1 4 4 ASP HA H 1 4.349 0.010 . 1 . . . . 4 ASP HA . 17556 1 26 . 1 1 4 4 ASP HB2 H 1 2.497 0.010 . 2 . . . . 4 ASP HB . 17556 1 27 . 1 1 4 4 ASP HB3 H 1 2.497 0.010 . 2 . . . . 4 ASP HB . 17556 1 28 . 1 1 4 4 ASP CA C 13 52.377 0.020 . 1 . . . . 4 ASP CA . 17556 1 29 . 1 1 4 4 ASP CB C 13 38.129 0.020 . 1 . . . . 4 ASP CB . 17556 1 30 . 1 1 4 4 ASP N N 15 120.776 0.020 . 1 . . . . 4 ASP N . 17556 1 31 . 1 1 5 5 VAL H H 1 7.744 0.010 . 1 . . . . 5 VAL H . 17556 1 32 . 1 1 5 5 VAL HA H 1 3.761 0.010 . 1 . . . . 5 VAL HA . 17556 1 33 . 1 1 5 5 VAL HB H 1 1.963 0.010 . 1 . . . . 5 VAL HB . 17556 1 34 . 1 1 5 5 VAL HG11 H 1 0.806 0.010 . 2 . . . . 5 VAL HG1 . 17556 1 35 . 1 1 5 5 VAL HG12 H 1 0.806 0.010 . 2 . . . . 5 VAL HG1 . 17556 1 36 . 1 1 5 5 VAL HG13 H 1 0.806 0.010 . 2 . . . . 5 VAL HG1 . 17556 1 37 . 1 1 5 5 VAL HG21 H 1 0.773 0.010 . 2 . . . . 5 VAL HG2 . 17556 1 38 . 1 1 5 5 VAL HG22 H 1 0.773 0.010 . 2 . . . . 5 VAL HG2 . 17556 1 39 . 1 1 5 5 VAL HG23 H 1 0.773 0.010 . 2 . . . . 5 VAL HG2 . 17556 1 40 . 1 1 5 5 VAL CA C 13 60.909 0.020 . 1 . . . . 5 VAL CA . 17556 1 41 . 1 1 5 5 VAL CB C 13 29.427 0.020 . 1 . . . . 5 VAL CB . 17556 1 42 . 1 1 5 5 VAL CG1 C 13 18.142 0.020 . 1 . . . . 5 VAL CG1 . 17556 1 43 . 1 1 5 5 VAL CG2 C 13 18.361 0.020 . 1 . . . . 5 VAL CG2 . 17556 1 44 . 1 1 5 5 VAL N N 15 120.329 0.020 . 1 . . . . 5 VAL N . 17556 1 45 . 1 1 6 6 LYS H H 1 8.014 0.010 . 1 . . . . 6 LYS H . 17556 1 46 . 1 1 6 6 LYS HA H 1 3.968 0.010 . 1 . . . . 6 LYS HA . 17556 1 47 . 1 1 6 6 LYS HB2 H 1 1.597 0.010 . 2 . . . . 6 LYS HB . 17556 1 48 . 1 1 6 6 LYS HB3 H 1 1.597 0.010 . 2 . . . . 6 LYS HB . 17556 1 49 . 1 1 6 6 LYS HG2 H 1 1.190 0.010 . 1 . . . . 6 LYS HG2 . 17556 1 50 . 1 1 6 6 LYS HG3 H 1 1.280 0.010 . 1 . . . . 6 LYS HG3 . 17556 1 51 . 1 1 6 6 LYS HD2 H 1 1.468 0.010 . 2 . . . . 6 LYS HD . 17556 1 52 . 1 1 6 6 LYS HD3 H 1 1.468 0.010 . 2 . . . . 6 LYS HD . 17556 1 53 . 1 1 6 6 LYS HE2 H 1 2.759 0.010 . 2 . . . . 6 LYS HE . 17556 1 54 . 1 1 6 6 LYS HE3 H 1 2.759 0.010 . 2 . . . . 6 LYS HE . 17556 1 55 . 1 1 6 6 LYS CA C 13 54.779 0.020 . 1 . . . . 6 LYS CA . 17556 1 56 . 1 1 6 6 LYS CB C 13 29.679 0.020 . 1 . . . . 6 LYS CB . 17556 1 57 . 1 1 6 6 LYS CG C 13 22.183 0.020 . 1 . . . . 6 LYS CG . 17556 1 58 . 1 1 6 6 LYS CD C 13 26.317 0.020 . 1 . . . . 6 LYS CD . 17556 1 59 . 1 1 6 6 LYS CE C 13 39.133 0.020 . 1 . . . . 6 LYS CE . 17556 1 60 . 1 1 6 6 LYS N N 15 122.563 0.020 . 1 . . . . 6 LYS N . 17556 1 61 . 1 1 7 7 LYS H H 1 7.857 0.010 . 1 . . . . 7 LYS H . 17556 1 62 . 1 1 7 7 LYS HA H 1 4.014 0.010 . 1 . . . . 7 LYS HA . 17556 1 63 . 1 1 7 7 LYS HB2 H 1 1.586 0.010 . 2 . . . . 7 LYS HB . 17556 1 64 . 1 1 7 7 LYS HB3 H 1 1.586 0.010 . 2 . . . . 7 LYS HB . 17556 1 65 . 1 1 7 7 LYS HG2 H 1 1.121 0.010 . 1 . . . . 7 LYS HG2 . 17556 1 66 . 1 1 7 7 LYS HG3 H 1 1.201 0.010 . 1 . . . . 7 LYS HG3 . 17556 1 67 . 1 1 7 7 LYS HD2 H 1 1.451 0.010 . 2 . . . . 7 LYS HD . 17556 1 68 . 1 1 7 7 LYS HD3 H 1 1.451 0.010 . 2 . . . . 7 LYS HD . 17556 1 69 . 1 1 7 7 LYS HE2 H 1 2.761 0.010 . 2 . . . . 7 LYS HE . 17556 1 70 . 1 1 7 7 LYS HE3 H 1 2.761 0.010 . 2 . . . . 7 LYS HE . 17556 1 71 . 1 1 7 7 LYS CA C 13 54.538 0.020 . 1 . . . . 7 LYS CA . 17556 1 72 . 1 1 7 7 LYS CB C 13 29.830 0.020 . 1 . . . . 7 LYS CB . 17556 1 73 . 1 1 7 7 LYS CG C 13 21.909 0.020 . 1 . . . . 7 LYS CG . 17556 1 74 . 1 1 7 7 LYS N N 15 120.776 0.020 . 1 . . . . 7 LYS N . 17556 1 75 . 1 1 8 8 TRP H H 1 7.914 0.010 . 1 . . . . 8 TRP H . 17556 1 76 . 1 1 8 8 TRP HA H 1 4.417 0.010 . 1 . . . . 8 TRP HA . 17556 1 77 . 1 1 8 8 TRP HB2 H 1 3.146 0.010 . 2 . . . . 8 TRP HB . 17556 1 78 . 1 1 8 8 TRP HB3 H 1 3.146 0.010 . 2 . . . . 8 TRP HB . 17556 1 79 . 1 1 8 8 TRP HD1 H 1 7.100 0.010 . 1 . . . . 8 TRP HD1 . 17556 1 80 . 1 1 8 8 TRP HE1 H 1 10.038 0.010 . 1 . . . . 8 TRP HE1 . 17556 1 81 . 1 1 8 8 TRP HE3 H 1 7.440 0.010 . 1 . . . . 8 TRP HE3 . 17556 1 82 . 1 1 8 8 TRP HZ2 H 1 7.326 0.010 . 1 . . . . 8 TRP HZ2 . 17556 1 83 . 1 1 8 8 TRP HZ3 H 1 6.976 0.010 . 1 . . . . 8 TRP HZ3 . 17556 1 84 . 1 1 8 8 TRP HH2 H 1 7.066 0.010 . 1 . . . . 8 TRP HH2 . 17556 1 85 . 1 1 8 8 TRP CA C 13 55.368 0.020 . 1 . . . . 8 TRP CA . 17556 1 86 . 1 1 8 8 TRP CB C 13 26.566 0.020 . 1 . . . . 8 TRP CB . 17556 1 87 . 1 1 8 8 TRP CD1 C 13 124.270 0.020 . 1 . . . . 8 TRP CD1 . 17556 1 88 . 1 1 8 8 TRP CE3 C 13 118.075 0.020 . 1 . . . . 8 TRP CE3 . 17556 1 89 . 1 1 8 8 TRP CZ2 C 13 111.712 0.020 . 1 . . . . 8 TRP CZ2 . 17556 1 90 . 1 1 8 8 TRP CZ3 C 13 119.200 0.020 . 1 . . . . 8 TRP CZ3 . 17556 1 91 . 1 1 8 8 TRP CH2 C 13 121.711 0.020 . 1 . . . . 8 TRP CH2 . 17556 1 92 . 1 1 8 8 TRP N N 15 121.085 0.020 . 1 . . . . 8 TRP N . 17556 1 93 . 1 1 8 8 TRP NE1 N 15 129.314 0.020 . 1 . . . . 8 TRP NE1 . 17556 1 94 . 1 1 9 9 ARG H H 1 7.869 0.010 . 1 . . . . 9 ARG H . 17556 1 95 . 1 1 9 9 ARG HA H 1 3.923 0.010 . 1 . . . . 9 ARG HA . 17556 1 96 . 1 1 9 9 ARG HB2 H 1 1.539 0.010 . 1 . . . . 9 ARG HB2 . 17556 1 97 . 1 1 9 9 ARG HB3 H 1 1.614 0.010 . 1 . . . . 9 ARG HB3 . 17556 1 98 . 1 1 9 9 ARG HG2 H 1 1.318 0.010 . 1 . . . . 9 ARG HG2 . 17556 1 99 . 1 1 9 9 ARG HG3 H 1 1.393 0.010 . 1 . . . . 9 ARG HG3 . 17556 1 100 . 1 1 9 9 ARG HD2 H 1 2.964 0.010 . 2 . . . . 9 ARG HD . 17556 1 101 . 1 1 9 9 ARG HD3 H 1 2.964 0.010 . 2 . . . . 9 ARG HD . 17556 1 102 . 1 1 9 9 ARG HE H 1 7.100 0.010 . 1 . . . . 9 ARG HE . 17556 1 103 . 1 1 9 9 ARG CA C 13 54.086 0.020 . 1 . . . . 9 ARG CA . 17556 1 104 . 1 1 9 9 ARG CB C 13 28.156 0.020 . 1 . . . . 9 ARG CB . 17556 1 105 . 1 1 9 9 ARG CG C 13 24.424 0.020 . 1 . . . . 9 ARG CG . 17556 1 106 . 1 1 9 9 ARG CD C 13 40.637 0.020 . 1 . . . . 9 ARG CD . 17556 1 107 . 1 1 9 9 ARG N N 15 121.395 0.020 . 1 . . . . 9 ARG N . 17556 1 108 . 1 1 10 10 GLU H H 1 8.004 0.010 . 1 . . . . 10 GLU H . 17556 1 109 . 1 1 10 10 GLU HA H 1 3.964 0.010 . 1 . . . . 10 GLU HA . 17556 1 110 . 1 1 10 10 GLU HB2 H 1 1.811 0.010 . 1 . . . . 10 GLU HB2 . 17556 1 111 . 1 1 10 10 GLU HB3 H 1 1.858 0.010 . 1 . . . . 10 GLU HB3 . 17556 1 112 . 1 1 10 10 GLU HG2 H 1 2.094 0.010 . 1 . . . . 10 GLU HG2 . 17556 1 113 . 1 1 10 10 GLU HG3 H 1 2.129 0.010 . 1 . . . . 10 GLU HG3 . 17556 1 114 . 1 1 10 10 GLU CA C 13 54.152 0.020 . 1 . . . . 10 GLU CA . 17556 1 115 . 1 1 10 10 GLU CB C 13 27.375 0.020 . 1 . . . . 10 GLU CB . 17556 1 116 . 1 1 10 10 GLU CG C 13 33.431 0.020 . 1 . . . . 10 GLU CG . 17556 1 117 . 1 1 10 10 GLU N N 15 120.828 0.020 . 1 . . . . 10 GLU N . 17556 1 118 . 1 1 11 11 GLU H H 1 8.225 0.010 . 1 . . . . 11 GLU H . 17556 1 119 . 1 1 11 11 GLU HA H 1 4.045 0.010 . 1 . . . . 11 GLU HA . 17556 1 120 . 1 1 11 11 GLU HB2 H 1 1.812 0.010 . 1 . . . . 11 GLU HB2 . 17556 1 121 . 1 1 11 11 GLU HB3 H 1 1.858 0.010 . 1 . . . . 11 GLU HB3 . 17556 1 122 . 1 1 11 11 GLU HG2 H 1 2.084 0.010 . 1 . . . . 11 GLU HG2 . 17556 1 123 . 1 1 11 11 GLU HG3 H 1 2.150 0.010 . 1 . . . . 11 GLU HG3 . 17556 1 124 . 1 1 11 11 GLU CA C 13 54.117 0.020 . 1 . . . . 11 GLU CA . 17556 1 125 . 1 1 11 11 GLU CB C 13 27.413 0.020 . 1 . . . . 11 GLU CB . 17556 1 126 . 1 1 11 11 GLU CG C 13 33.404 0.020 . 1 . . . . 11 GLU CG . 17556 1 127 . 1 1 11 11 GLU N N 15 121.945 0.020 . 1 . . . . 11 GLU N . 17556 1 128 . 1 1 12 12 ARG H H 1 8.084 0.010 . 1 . . . . 12 ARG H . 17556 1 129 . 1 1 12 12 ARG HA H 1 4.089 0.010 . 1 . . . . 12 ARG HA . 17556 1 130 . 1 1 12 12 ARG HB2 H 1 1.541 0.010 . 1 . . . . 12 ARG HB2 . 17556 1 131 . 1 1 12 12 ARG HB3 H 1 1.636 0.010 . 1 . . . . 12 ARG HB3 . 17556 1 132 . 1 1 12 12 ARG HG2 H 1 1.406 0.010 . 2 . . . . 12 ARG HG . 17556 1 133 . 1 1 12 12 ARG HG3 H 1 1.406 0.010 . 2 . . . . 12 ARG HG . 17556 1 134 . 1 1 12 12 ARG HD2 H 1 2.897 0.010 . 2 . . . . 12 ARG HD . 17556 1 135 . 1 1 12 12 ARG HD3 H 1 2.897 0.010 . 2 . . . . 12 ARG HD . 17556 1 136 . 1 1 12 12 ARG HE H 1 7.022 0.010 . 1 . . . . 12 ARG HE . 17556 1 137 . 1 1 12 12 ARG CA C 13 53.379 0.020 . 1 . . . . 12 ARG CA . 17556 1 138 . 1 1 12 12 ARG CB C 13 27.757 0.020 . 1 . . . . 12 ARG CB . 17556 1 139 . 1 1 12 12 ARG CG C 13 24.195 0.020 . 1 . . . . 12 ARG CG . 17556 1 140 . 1 1 12 12 ARG CD C 13 40.428 0.020 . 1 . . . . 12 ARG CD . 17556 1 141 . 1 1 12 12 ARG N N 15 121.670 0.020 . 1 . . . . 12 ARG N . 17556 1 142 . 1 1 13 13 LYS H H 1 8.072 0.010 . 1 . . . . 13 LYS H . 17556 1 143 . 1 1 13 13 LYS HA H 1 4.089 0.010 . 1 . . . . 13 LYS HA . 17556 1 144 . 1 1 13 13 LYS HB2 H 1 1.592 0.010 . 1 . . . . 13 LYS HB2 . 17556 1 145 . 1 1 13 13 LYS HB3 H 1 1.660 0.010 . 1 . . . . 13 LYS HB3 . 17556 1 146 . 1 1 13 13 LYS HG2 H 1 1.257 0.010 . 2 . . . . 13 LYS HG . 17556 1 147 . 1 1 13 13 LYS HG3 H 1 1.257 0.010 . 2 . . . . 13 LYS HG . 17556 1 148 . 1 1 13 13 LYS HD2 H 1 1.519 0.010 . 2 . . . . 13 LYS HD . 17556 1 149 . 1 1 13 13 LYS HD3 H 1 1.519 0.010 . 2 . . . . 13 LYS HD . 17556 1 150 . 1 1 13 13 LYS HE2 H 1 2.812 0.010 . 2 . . . . 13 LYS HE . 17556 1 151 . 1 1 13 13 LYS HE3 H 1 2.812 0.010 . 2 . . . . 13 LYS HE . 17556 1 152 . 1 1 13 13 LYS CA C 13 53.734 0.020 . 1 . . . . 13 LYS CA . 17556 1 153 . 1 1 13 13 LYS CB C 13 30.260 0.020 . 1 . . . . 13 LYS CB . 17556 1 154 . 1 1 13 13 LYS CG C 13 21.942 0.020 . 1 . . . . 13 LYS CG . 17556 1 155 . 1 1 13 13 LYS CD C 13 26.277 0.020 . 1 . . . . 13 LYS CD . 17556 1 156 . 1 1 13 13 LYS N N 15 122.426 0.020 . 1 . . . . 13 LYS N . 17556 1 157 . 1 1 14 14 LYS H H 1 8.161 0.010 . 1 . . . . 14 LYS H . 17556 1 158 . 1 1 14 14 LYS HA H 1 4.129 0.010 . 1 . . . . 14 LYS HA . 17556 1 159 . 1 1 14 14 LYS HB2 H 1 1.581 0.010 . 1 . . . . 14 LYS HB2 . 17556 1 160 . 1 1 14 14 LYS HB3 H 1 1.695 0.010 . 1 . . . . 14 LYS HB3 . 17556 1 161 . 1 1 14 14 LYS HG2 H 1 1.273 0.010 . 2 . . . . 14 LYS HG . 17556 1 162 . 1 1 14 14 LYS HG3 H 1 1.273 0.010 . 2 . . . . 14 LYS HG . 17556 1 163 . 1 1 14 14 LYS HD2 H 1 1.514 0.010 . 2 . . . . 14 LYS HD . 17556 1 164 . 1 1 14 14 LYS HD3 H 1 1.514 0.010 . 2 . . . . 14 LYS HD . 17556 1 165 . 1 1 14 14 LYS HE2 H 1 2.818 0.010 . 2 . . . . 14 LYS HE . 17556 1 166 . 1 1 14 14 LYS HE3 H 1 2.818 0.010 . 2 . . . . 14 LYS HE . 17556 1 167 . 1 1 14 14 LYS CA C 13 53.636 0.020 . 1 . . . . 14 LYS CA . 17556 1 168 . 1 1 14 14 LYS CB C 13 30.142 0.020 . 1 . . . . 14 LYS CB . 17556 1 169 . 1 1 14 14 LYS CG C 13 21.921 0.020 . 1 . . . . 14 LYS CG . 17556 1 170 . 1 1 14 14 LYS CD C 13 26.277 0.020 . 1 . . . . 14 LYS CD . 17556 1 171 . 1 1 14 14 LYS CE C 13 39.192 0.020 . 1 . . . . 14 LYS CE . 17556 1 172 . 1 1 14 14 LYS N N 15 123.148 0.020 . 1 . . . . 14 LYS N . 17556 1 173 . 1 1 15 15 MET H H 1 7.846 0.010 . 1 . . . . 15 MET H . 17556 1 174 . 1 1 15 15 MET HA H 1 4.110 0.010 . 1 . . . . 15 MET HA . 17556 1 175 . 1 1 15 15 MET HB2 H 1 1.779 0.010 . 1 . . . . 15 MET HB2 . 17556 1 176 . 1 1 15 15 MET HB3 H 1 1.929 0.010 . 1 . . . . 15 MET HB3 . 17556 1 177 . 1 1 15 15 MET HG2 H 1 2.330 0.010 . 1 . . . . 15 MET HG2 . 17556 1 178 . 1 1 15 15 MET HG3 H 1 2.381 0.010 . 1 . . . . 15 MET HG3 . 17556 1 179 . 1 1 15 15 MET HE1 H 1 1.919 0.010 . 1 . . . . 15 MET HE . 17556 1 180 . 1 1 15 15 MET HE2 H 1 1.919 0.010 . 1 . . . . 15 MET HE . 17556 1 181 . 1 1 15 15 MET HE3 H 1 1.919 0.010 . 1 . . . . 15 MET HE . 17556 1 182 . 1 1 15 15 MET CA C 13 54.243 0.020 . 1 . . . . 15 MET CA . 17556 1 183 . 1 1 15 15 MET CB C 13 30.993 0.020 . 1 . . . . 15 MET CB . 17556 1 184 . 1 1 15 15 MET CG C 13 29.594 0.020 . 1 . . . . 15 MET CG . 17556 1 185 . 1 1 15 15 MET CE C 13 14.126 0.020 . 1 . . . . 15 MET CE . 17556 1 186 . 1 1 15 15 MET N N 15 127.272 0.020 . 1 . . . . 15 MET N . 17556 1 stop_ save_