################################### # 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 16693 _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' . . . 16693 1 2 '2D 1H-13C HSQC' . . . 16693 1 6 '3D C(CO)NH' . . . 16693 1 7 '3D HNCO' . . . 16693 1 8 '3D HNCACB' . . . 16693 1 9 '3D H(CCO)NH' . . . 16693 1 10 '3D HCCH-COSY' . . . 16693 1 12 '3D 1H-15N NOESY' . . . 16693 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 1 $X-PLOR_NIH . . 16693 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 GLY C C 13 168.380 . . 1 . . . . 1 GLY C . 16693 1 2 . 1 1 1 1 GLY CA C 13 40.460 . . 1 . . . . 1 GLY CA . 16693 1 3 . 1 1 2 2 SER H H 1 8.487 . . 1 . . . . 2 SER H . 16693 1 4 . 1 1 2 2 SER HA H 1 4.618 . . 1 . . . . 2 SER HA . 16693 1 5 . 1 1 2 2 SER HB2 H 1 3.865 . . . . . . . 2 SER HB2 . 16693 1 6 . 1 1 2 2 SER HB3 H 1 3.987 . . . . . . . 2 SER HB3 . 16693 1 7 . 1 1 2 2 SER C C 13 173.790 . . 1 . . . . 2 SER C . 16693 1 8 . 1 1 2 2 SER CA C 13 54.830 . . 1 . . . . 2 SER CA . 16693 1 9 . 1 1 2 2 SER CB C 13 62.090 . . 1 . . . . 2 SER CB . 16693 1 10 . 1 1 2 2 SER N N 15 112.950 . . 1 . . . . 2 SER N . 16693 1 11 . 1 1 3 3 VAL H H 1 8.612 . . 1 . . . . 3 VAL H . 16693 1 12 . 1 1 3 3 VAL HA H 1 3.988 . . 1 . . . . 3 VAL HA . 16693 1 13 . 1 1 3 3 VAL HB H 1 2.019 . . 1 . . . . 3 VAL HB . 16693 1 14 . 1 1 3 3 VAL HG11 H 1 0.912 . . . . . . . 3 VAL MG1 . 16693 1 15 . 1 1 3 3 VAL HG12 H 1 0.912 . . . . . . . 3 VAL MG1 . 16693 1 16 . 1 1 3 3 VAL HG13 H 1 0.912 . . . . . . . 3 VAL MG1 . 16693 1 17 . 1 1 3 3 VAL C C 13 176.020 . . 1 . . . . 3 VAL C . 16693 1 18 . 1 1 3 3 VAL CA C 13 61.310 . . 1 . . . . 3 VAL CA . 16693 1 19 . 1 1 3 3 VAL CB C 13 29.660 . . 1 . . . . 3 VAL CB . 16693 1 20 . 1 1 3 3 VAL N N 15 121.200 . . 1 . . . . 3 VAL N . 16693 1 21 . 1 1 4 4 GLY H H 1 8.486 . . 1 . . . . 4 GLY H . 16693 1 22 . 1 1 4 4 GLY C C 13 175.160 . . 1 . . . . 4 GLY C . 16693 1 23 . 1 1 4 4 GLY CA C 13 43.380 . . 1 . . . . 4 GLY CA . 16693 1 24 . 1 1 4 4 GLY N N 15 107.760 . . 1 . . . . 4 GLY N . 16693 1 25 . 1 1 5 5 CYS H H 1 8.121 . . 1 . . . . 5 CYS H . 16693 1 26 . 1 1 5 5 CYS HA H 1 4.379 . . 1 . . . . 5 CYS HA . 16693 1 27 . 1 1 5 5 CYS C C 13 175.850 . . 1 . . . . 5 CYS C . 16693 1 28 . 1 1 5 5 CYS CA C 13 55.310 . . 1 . . . . 5 CYS CA . 16693 1 29 . 1 1 5 5 CYS CB C 13 36.270 . . 1 . . . . 5 CYS CB . 16693 1 30 . 1 1 5 5 CYS N N 15 117.300 . . 1 . . . . 5 CYS N . 16693 1 31 . 1 1 6 6 ALA H H 1 8.493 . . 1 . . . . 6 ALA H . 16693 1 32 . 1 1 6 6 ALA HA H 1 4.063 . . 1 . . . . 6 ALA HA . 16693 1 33 . 1 1 6 6 ALA HB1 H 1 1.490 . . 1 . . . . 6 ALA MB . 16693 1 34 . 1 1 6 6 ALA HB2 H 1 1.490 . . 1 . . . . 6 ALA MB . 16693 1 35 . 1 1 6 6 ALA HB3 H 1 1.490 . . 1 . . . . 6 ALA MB . 16693 1 36 . 1 1 6 6 ALA C C 13 177.480 . . 1 . . . . 6 ALA C . 16693 1 37 . 1 1 6 6 ALA CA C 13 52.560 . . 1 . . . . 6 ALA CA . 16693 1 38 . 1 1 6 6 ALA CB C 13 15.130 . . 1 . . . . 6 ALA CB . 16693 1 39 . 1 1 6 6 ALA N N 15 122.000 . . 1 . . . . 6 ALA N . 16693 1 40 . 1 1 7 7 GLU H H 1 7.709 . . 1 . . . . 7 GLU H . 16693 1 41 . 1 1 7 7 GLU HA H 1 4.462 . . 1 . . . . 7 GLU HA . 16693 1 42 . 1 1 7 7 GLU HB2 H 1 2.032 . . . . . . . 7 GLU HB2 . 16693 1 43 . 1 1 7 7 GLU HB3 H 1 2.263 . . . . . . . 7 GLU HB3 . 16693 1 44 . 1 1 7 7 GLU HG2 H 1 2.459 . . . . . . . 7 GLU HG2 . 16693 1 45 . 1 1 7 7 GLU HG3 H 1 2.495 . . . . . . . 7 GLU HG3 . 16693 1 46 . 1 1 7 7 GLU C C 13 176.020 . . 1 . . . . 7 GLU C . 16693 1 47 . 1 1 7 7 GLU CA C 13 52.910 . . 1 . . . . 7 GLU CA . 16693 1 48 . 1 1 7 7 GLU CB C 13 25.840 . . 1 . . . . 7 GLU CB . 16693 1 49 . 1 1 7 7 GLU CG C 13 30.180 . . 1 . . . . 7 GLU CG . 16693 1 50 . 1 1 7 7 GLU N N 15 110.610 . . 1 . . . . 7 GLU N . 16693 1 51 . 1 1 8 8 CYS H H 1 7.695 . . 1 . . . . 8 CYS H . 16693 1 52 . 1 1 8 8 CYS HA H 1 4.781 . . 1 . . . . 8 CYS HA . 16693 1 53 . 1 1 8 8 CYS HB2 H 1 3.117 . . . . . . . 8 CYS HB2 . 16693 1 54 . 1 1 8 8 CYS HB3 H 1 3.526 . . . . . . . 8 CYS HB3 . 16693 1 55 . 1 1 8 8 CYS CA C 13 54.750 . . 1 . . . . 8 CYS CA . 16693 1 56 . 1 1 8 8 CYS CB C 13 30.470 . . 1 . . . . 8 CYS CB . 16693 1 57 . 1 1 8 8 CYS N N 15 120.380 . . 1 . . . . 8 CYS N . 16693 1 58 . 1 1 9 9 PRO HA H 1 4.148 . . 1 . . . . 9 PRO HA . 16693 1 59 . 1 1 9 9 PRO HB2 H 1 1.857 . . . . . . . 9 PRO HB2 . 16693 1 60 . 1 1 9 9 PRO HB3 H 1 2.363 . . . . . . . 9 PRO HB3 . 16693 1 61 . 1 1 9 9 PRO HD2 H 1 3.664 . . . . . . . 9 PRO HD2 . 16693 1 62 . 1 1 9 9 PRO HD3 H 1 3.860 . . . . . . . 9 PRO HD3 . 16693 1 63 . 1 1 9 9 PRO HG2 H 1 1.844 . . . . . . . 9 PRO HG2 . 16693 1 64 . 1 1 9 9 PRO HG3 H 1 2.152 . . . . . . . 9 PRO HG3 . 16693 1 65 . 1 1 9 9 PRO C C 13 176.540 . . 1 . . . . 9 PRO C . 16693 1 66 . 1 1 9 9 PRO CA C 13 63.820 . . 1 . . . . 9 PRO CA . 16693 1 67 . 1 1 9 9 PRO CB C 13 28.170 . . 1 . . . . 9 PRO CB . 16693 1 68 . 1 1 9 9 PRO CD C 13 47.770 . . 1 . . . . 9 PRO CD . 16693 1 69 . 1 1 9 9 PRO CG C 13 25.910 . . 1 . . . . 9 PRO CG . 16693 1 70 . 1 1 10 10 MET H H 1 7.468 . . 1 . . . . 10 MET H . 16693 1 71 . 1 1 10 10 MET HA H 1 4.202 . . 1 . . . . 10 MET HA . 16693 1 72 . 1 1 10 10 MET HB2 H 1 2.046 . . . . . . . 10 MET HB2 . 16693 1 73 . 1 1 10 10 MET HB3 H 1 2.120 . . . . . . . 10 MET HB3 . 16693 1 74 . 1 1 10 10 MET C C 13 176.200 . . 1 . . . . 10 MET C . 16693 1 75 . 1 1 10 10 MET CA C 13 55.100 . . 1 . . . . 10 MET CA . 16693 1 76 . 1 1 10 10 MET CB C 13 29.480 . . 1 . . . . 10 MET CB . 16693 1 77 . 1 1 10 10 MET CG C 13 26.770 . . 1 . . . . 10 MET CG . 16693 1 78 . 1 1 10 10 MET N N 15 111.930 . . 1 . . . . 10 MET N . 16693 1 79 . 1 1 11 11 HIS H H 1 8.021 . . 1 . . . . 11 HIS H . 16693 1 80 . 1 1 11 11 HIS HA H 1 4.509 . . 1 . . . . 11 HIS HA . 16693 1 81 . 1 1 11 11 HIS HB2 H 1 3.196 . . . . . . . 11 HIS HB2 . 16693 1 82 . 1 1 11 11 HIS HB3 H 1 3.445 . . . . . . . 11 HIS HB3 . 16693 1 83 . 1 1 11 11 HIS C C 13 173.270 . . 1 . . . . 11 HIS C . 16693 1 84 . 1 1 11 11 HIS CA C 13 54.690 . . 1 . . . . 11 HIS CA . 16693 1 85 . 1 1 11 11 HIS CB C 13 26.850 . . 1 . . . . 11 HIS CB . 16693 1 86 . 1 1 11 11 HIS N N 15 114.530 . . 1 . . . . 11 HIS N . 16693 1 87 . 1 1 12 12 CYS H H 1 7.912 . . 1 . . . . 12 CYS H . 16693 1 88 . 1 1 12 12 CYS HA H 1 4.718 . . 1 . . . . 12 CYS HA . 16693 1 89 . 1 1 12 12 CYS HB2 H 1 2.450 . . . . . . . 12 CYS HB2 . 16693 1 90 . 1 1 12 12 CYS HB3 H 1 2.973 . . . . . . . 12 CYS HB3 . 16693 1 91 . 1 1 12 12 CYS C C 13 173.360 . . 1 . . . . 12 CYS C . 16693 1 92 . 1 1 12 12 CYS CA C 13 51.470 . . 1 . . . . 12 CYS CA . 16693 1 93 . 1 1 12 12 CYS CB C 13 34.480 . . 1 . . . . 12 CYS CB . 16693 1 94 . 1 1 12 12 CYS N N 15 115.940 . . 1 . . . . 12 CYS N . 16693 1 95 . 1 1 13 13 LYS H H 1 8.021 . . 1 . . . . 13 LYS H . 16693 1 96 . 1 1 13 13 LYS HA H 1 4.366 . . 1 . . . . 13 LYS HA . 16693 1 97 . 1 1 13 13 LYS HB2 H 1 1.864 . . . . . . . 13 LYS HB2 . 16693 1 98 . 1 1 13 13 LYS HB3 H 1 1.883 . . . . . . . 13 LYS HB3 . 16693 1 99 . 1 1 13 13 LYS C C 13 176.110 . . 1 . . . . 13 LYS C . 16693 1 100 . 1 1 13 13 LYS CA C 13 54.560 . . 1 . . . . 13 LYS CA . 16693 1 101 . 1 1 13 13 LYS CB C 13 30.840 . . 1 . . . . 13 LYS CB . 16693 1 102 . 1 1 13 13 LYS N N 15 120.650 . . 1 . . . . 13 LYS N . 16693 1 103 . 1 1 14 14 GLY H H 1 8.298 . . 1 . . . . 14 GLY H . 16693 1 104 . 1 1 14 14 GLY HA2 H 1 3.789 . . . . . . . 14 GLY HA2 . 16693 1 105 . 1 1 14 14 GLY HA3 H 1 4.121 . . . . . . . 14 GLY HA3 . 16693 1 106 . 1 1 14 14 GLY CA C 13 42.480 . . 1 . . . . 14 GLY CA . 16693 1 107 . 1 1 14 14 GLY N N 15 106.390 . . 1 . . . . 14 GLY N . 16693 1 108 . 1 1 15 15 LYS HA H 1 4.255 . . 1 . . . . 15 LYS HA . 16693 1 109 . 1 1 15 15 LYS HB2 H 1 1.745 . . . . . . . 15 LYS HB2 . 16693 1 110 . 1 1 15 15 LYS HB3 H 1 1.890 . . . . . . . 15 LYS HB3 . 16693 1 111 . 1 1 15 15 LYS C C 13 174.910 . . 1 . . . . 15 LYS C . 16693 1 112 . 1 1 15 15 LYS CA C 13 53.980 . . 1 . . . . 15 LYS CA . 16693 1 113 . 1 1 15 15 LYS CB C 13 30.190 . . 1 . . . . 15 LYS CB . 16693 1 114 . 1 1 15 15 LYS CD C 13 39.240 . . 1 . . . . 15 LYS CD . 16693 1 115 . 1 1 15 15 LYS CG C 13 22.350 . . 1 . . . . 15 LYS CG . 16693 1 116 . 1 1 16 16 MET H H 1 8.280 . . 1 . . . . 16 MET H . 16693 1 117 . 1 1 16 16 MET HA H 1 4.402 . . 1 . . . . 16 MET HA . 16693 1 118 . 1 1 16 16 MET HB2 H 1 2.087 . . . . . . . 16 MET HB2 . 16693 1 119 . 1 1 16 16 MET HB3 H 1 2.255 . . . . . . . 16 MET HB3 . 16693 1 120 . 1 1 16 16 MET C C 13 173.450 . . 1 . . . . 16 MET C . 16693 1 121 . 1 1 16 16 MET CA C 13 52.370 . . 1 . . . . 16 MET CA . 16693 1 122 . 1 1 16 16 MET CB C 13 28.470 . . 1 . . . . 16 MET CB . 16693 1 123 . 1 1 16 16 MET CG C 13 30.160 . . 1 . . . . 16 MET CG . 16693 1 124 . 1 1 16 16 MET N N 15 115.270 . . 1 . . . . 16 MET N . 16693 1 125 . 1 1 17 17 ALA H H 1 7.398 . . 1 . . . . 17 ALA H . 16693 1 126 . 1 1 17 17 ALA HA H 1 4.596 . . 1 . . . . 17 ALA HA . 16693 1 127 . 1 1 17 17 ALA HB1 H 1 1.197 . . 1 . . . . 17 ALA MB . 16693 1 128 . 1 1 17 17 ALA HB2 H 1 1.197 . . 1 . . . . 17 ALA MB . 16693 1 129 . 1 1 17 17 ALA HB3 H 1 1.197 . . 1 . . . . 17 ALA MB . 16693 1 130 . 1 1 17 17 ALA C C 13 174.990 . . 1 . . . . 17 ALA C . 16693 1 131 . 1 1 17 17 ALA CA C 13 48.470 . . 1 . . . . 17 ALA CA . 16693 1 132 . 1 1 17 17 ALA CB C 13 18.730 . . 1 . . . . 17 ALA CB . 16693 1 133 . 1 1 17 17 ALA N N 15 120.100 . . 1 . . . . 17 ALA N . 16693 1 134 . 1 1 18 18 LYS H H 1 8.507 . . 1 . . . . 18 LYS H . 16693 1 135 . 1 1 18 18 LYS HA H 1 4.769 . . 1 . . . . 18 LYS HA . 16693 1 136 . 1 1 18 18 LYS HB2 H 1 1.648 . . . . . . . 18 LYS HB2 . 16693 1 137 . 1 1 18 18 LYS HB3 H 1 1.750 . . . . . . . 18 LYS HB3 . 16693 1 138 . 1 1 18 18 LYS CA C 13 50.210 . . 1 . . . . 18 LYS CA . 16693 1 139 . 1 1 18 18 LYS CB C 13 31.100 . . 1 . . . . 18 LYS CB . 16693 1 140 . 1 1 18 18 LYS N N 15 119.420 . . 1 . . . . 18 LYS N . 16693 1 141 . 1 1 19 19 PRO HA H 1 4.109 . . 1 . . . . 19 PRO HA . 16693 1 142 . 1 1 19 19 PRO HB2 H 1 1.985 . . . . . . . 19 PRO HB2 . 16693 1 143 . 1 1 19 19 PRO HB3 H 1 1.834 . . . . . . . 19 PRO HB3 . 16693 1 144 . 1 1 19 19 PRO HG2 H 1 1.911 . . . . . . . 19 PRO HG2 . 16693 1 145 . 1 1 19 19 PRO HG3 H 1 2.243 . . . . . . . 19 PRO HG3 . 16693 1 146 . 1 1 19 19 PRO C C 13 175.590 . . 1 . . . . 19 PRO C . 16693 1 147 . 1 1 19 19 PRO CA C 13 60.190 . . 1 . . . . 19 PRO CA . 16693 1 148 . 1 1 19 19 PRO CB C 13 30.160 . . 1 . . . . 19 PRO CB . 16693 1 149 . 1 1 19 19 PRO CD C 13 47.750 . . 1 . . . . 19 PRO CD . 16693 1 150 . 1 1 19 19 PRO CG C 13 24.060 . . 1 . . . . 19 PRO CG . 16693 1 151 . 1 1 20 20 THR H H 1 8.820 . . 1 . . . . 20 THR H . 16693 1 152 . 1 1 20 20 THR HA H 1 4.471 . . 1 . . . . 20 THR HA . 16693 1 153 . 1 1 20 20 THR HB H 1 4.090 . . 1 . . . . 20 THR HB . 16693 1 154 . 1 1 20 20 THR HG21 H 1 1.119 . . 1 . . . . 20 THR HG1 . 16693 1 155 . 1 1 20 20 THR HG22 H 1 1.119 . . 1 . . . . 20 THR HG1 . 16693 1 156 . 1 1 20 20 THR HG23 H 1 1.119 . . 1 . . . . 20 THR HG1 . 16693 1 157 . 1 1 20 20 THR C C 13 171.210 . . 1 . . . . 20 THR C . 16693 1 158 . 1 1 20 20 THR CA C 13 58.430 . . 1 . . . . 20 THR CA . 16693 1 159 . 1 1 20 20 THR CB C 13 69.180 . . 1 . . . . 20 THR CB . 16693 1 160 . 1 1 20 20 THR CG2 C 13 18.370 . . 1 . . . . 20 THR CG2 . 16693 1 161 . 1 1 20 20 THR N N 15 114.960 . . 1 . . . . 20 THR N . 16693 1 162 . 1 1 21 21 CYS H H 1 8.820 . . 1 . . . . 21 CYS H . 16693 1 163 . 1 1 21 21 CYS HA H 1 5.373 . . 1 . . . . 21 CYS HA . 16693 1 164 . 1 1 21 21 CYS HB2 H 1 3.028 . . . . . . . 21 CYS HB2 . 16693 1 165 . 1 1 21 21 CYS HB3 H 1 3.068 . . . . . . . 21 CYS HB3 . 16693 1 166 . 1 1 21 21 CYS C C 13 172.670 . . 1 . . . . 21 CYS C . 16693 1 167 . 1 1 21 21 CYS CA C 13 51.640 . . 1 . . . . 21 CYS CA . 16693 1 168 . 1 1 21 21 CYS CB C 13 40.750 . . 1 . . . . 21 CYS CB . 16693 1 169 . 1 1 21 21 CYS N N 15 121.190 . . 1 . . . . 21 CYS N . 16693 1 170 . 1 1 22 22 GLU H H 1 8.618 . . 1 . . . . 22 GLU H . 16693 1 171 . 1 1 22 22 GLU HA H 1 4.532 . . 1 . . . . 22 GLU HA . 16693 1 172 . 1 1 22 22 GLU HB2 H 1 1.867 . . . . . . . 22 GLU HB2 . 16693 1 173 . 1 1 22 22 GLU HB3 H 1 1.984 . . . . . . . 22 GLU HB3 . 16693 1 174 . 1 1 22 22 GLU C C 13 174.560 . . 1 . . . . 22 GLU C . 16693 1 175 . 1 1 22 22 GLU CA C 13 51.940 . . 1 . . . . 22 GLU CA . 16693 1 176 . 1 1 22 22 GLU CB C 13 27.560 . . 1 . . . . 22 GLU CB . 16693 1 177 . 1 1 22 22 GLU CG C 13 29.550 . . 1 . . . . 22 GLU CG . 16693 1 178 . 1 1 22 22 GLU N N 15 124.110 . . 1 . . . . 22 GLU N . 16693 1 179 . 1 1 23 23 ASN H H 1 9.248 . . 1 . . . . 23 ASN H . 16693 1 180 . 1 1 23 23 ASN HA H 1 4.220 . . 1 . . . . 23 ASN HA . 16693 1 181 . 1 1 23 23 ASN HB2 H 1 2.767 . . . . . . . 23 ASN HB2 . 16693 1 182 . 1 1 23 23 ASN HB3 H 1 2.994 . . . . . . . 23 ASN HB3 . 16693 1 183 . 1 1 23 23 ASN HD21 H 1 7.524 . . . . . . . 23 ASN HD21 . 16693 1 184 . 1 1 23 23 ASN HD22 H 1 6.937 . . . . . . . 23 ASN HD22 . 16693 1 185 . 1 1 23 23 ASN C C 13 172.760 . . 1 . . . . 23 ASN C . 16693 1 186 . 1 1 23 23 ASN CA C 13 52.500 . . 1 . . . . 23 ASN CA . 16693 1 187 . 1 1 23 23 ASN CB C 13 34.660 . . 1 . . . . 23 ASN CB . 16693 1 188 . 1 1 23 23 ASN N N 15 122.220 . . 1 . . . . 23 ASN N . 16693 1 189 . 1 1 23 23 ASN ND2 N 15 112.160 . . 1 . . . . 23 ASN ND2 . 16693 1 190 . 1 1 24 24 GLU H H 1 8.051 . . 1 . . . . 24 GLU H . 16693 1 191 . 1 1 24 24 GLU HA H 1 3.856 . . 1 . . . . 24 GLU HA . 16693 1 192 . 1 1 24 24 GLU C C 13 173.700 . . 1 . . . . 24 GLU C . 16693 1 193 . 1 1 24 24 GLU CA C 13 55.020 . . 1 . . . . 24 GLU CA . 16693 1 194 . 1 1 24 24 GLU CB C 13 23.610 . . 1 . . . . 24 GLU CB . 16693 1 195 . 1 1 24 24 GLU CG C 13 29.970 . . 1 . . . . 24 GLU CG . 16693 1 196 . 1 1 24 24 GLU N N 15 105.330 . . 1 . . . . 24 GLU N . 16693 1 197 . 1 1 25 25 VAL H H 1 7.901 . . 1 . . . . 25 VAL H . 16693 1 198 . 1 1 25 25 VAL HA H 1 4.242 . . 1 . . . . 25 VAL HA . 16693 1 199 . 1 1 25 25 VAL HB H 1 2.239 . . 1 . . . . 25 VAL HB . 16693 1 200 . 1 1 25 25 VAL HG11 H 1 0.956 . . . . . . . 25 VAL MG1 . 16693 1 201 . 1 1 25 25 VAL HG12 H 1 0.956 . . . . . . . 25 VAL MG1 . 16693 1 202 . 1 1 25 25 VAL HG13 H 1 0.956 . . . . . . . 25 VAL MG1 . 16693 1 203 . 1 1 25 25 VAL HG21 H 1 0.932 . . . . . . . 25 VAL MG2 . 16693 1 204 . 1 1 25 25 VAL HG22 H 1 0.932 . . . . . . . 25 VAL MG2 . 16693 1 205 . 1 1 25 25 VAL HG23 H 1 0.932 . . . . . . . 25 VAL MG2 . 16693 1 206 . 1 1 25 25 VAL C C 13 173.990 . . 1 . . . . 25 VAL C . 16693 1 207 . 1 1 25 25 VAL CA C 13 58.880 . . 1 . . . . 25 VAL CA . 16693 1 208 . 1 1 25 25 VAL CB C 13 31.000 . . 1 . . . . 25 VAL CB . 16693 1 209 . 1 1 25 25 VAL CG1 C 13 18.050 . . . . . . . 25 VAL CG1 . 16693 1 210 . 1 1 25 25 VAL N N 15 119.040 . . 1 . . . . 25 VAL N . 16693 1 211 . 1 1 26 26 CYS H H 1 8.465 . . 1 . . . . 26 CYS H . 16693 1 212 . 1 1 26 26 CYS HA H 1 4.980 . . 1 . . . . 26 CYS HA . 16693 1 213 . 1 1 26 26 CYS HB2 H 1 2.579 . . . . . . . 26 CYS HB2 . 16693 1 214 . 1 1 26 26 CYS HB3 H 1 2.958 . . . . . . . 26 CYS HB3 . 16693 1 215 . 1 1 26 26 CYS C C 13 172.500 . . 1 . . . . 26 CYS C . 16693 1 216 . 1 1 26 26 CYS CA C 13 51.840 . . 1 . . . . 26 CYS CA . 16693 1 217 . 1 1 26 26 CYS CB C 13 33.780 . . 1 . . . . 26 CYS CB . 16693 1 218 . 1 1 26 26 CYS N N 15 123.400 . . 1 . . . . 26 CYS N . 16693 1 219 . 1 1 27 27 LYS H H 1 9.104 . . 1 . . . . 27 LYS H . 16693 1 220 . 1 1 27 27 LYS HA H 1 4.629 . . 1 . . . . 27 LYS HA . 16693 1 221 . 1 1 27 27 LYS HB2 H 1 1.653 . . . . . . . 27 LYS HB2 . 16693 1 222 . 1 1 27 27 LYS HB3 H 1 1.769 . . . . . . . 27 LYS HB3 . 16693 1 223 . 1 1 27 27 LYS C C 13 173.990 . . 1 . . . . 27 LYS C . 16693 1 224 . 1 1 27 27 LYS CA C 13 51.850 . . 1 . . . . 27 LYS CA . 16693 1 225 . 1 1 27 27 LYS CB C 13 32.610 . . 1 . . . . 27 LYS CB . 16693 1 226 . 1 1 27 27 LYS CG C 13 21.890 . . 1 . . . . 27 LYS CG . 16693 1 227 . 1 1 27 27 LYS N N 15 128.450 . . 1 . . . . 27 LYS N . 16693 1 228 . 1 1 28 28 CYS H H 1 8.788 . . 1 . . . . 28 CYS H . 16693 1 229 . 1 1 28 28 CYS HA H 1 5.142 . . 1 . . . . 28 CYS HA . 16693 1 230 . 1 1 28 28 CYS HB2 H 1 2.639 . . . . . . . 28 CYS HB2 . 16693 1 231 . 1 1 28 28 CYS HB3 H 1 2.963 . . . . . . . 28 CYS HB3 . 16693 1 232 . 1 1 28 28 CYS C C 13 175.850 . . 1 . . . . 28 CYS C . 16693 1 233 . 1 1 28 28 CYS CA C 13 50.010 . . 1 . . . . 28 CYS CA . 16693 1 234 . 1 1 28 28 CYS CB C 13 34.660 . . 1 . . . . 28 CYS CB . 16693 1 235 . 1 1 28 28 CYS N N 15 120.180 . . 1 . . . . 28 CYS N . 16693 1 236 . 1 1 29 29 ASN H H 1 8.530 . . 1 . . . . 29 ASN H . 16693 1 237 . 1 1 29 29 ASN HA H 1 4.849 . . 1 . . . . 29 ASN HA . 16693 1 238 . 1 1 29 29 ASN HB2 H 1 2.658 . . . . . . . 29 ASN HB2 . 16693 1 239 . 1 1 29 29 ASN HB3 H 1 2.731 . . . . . . . 29 ASN HB3 . 16693 1 240 . 1 1 29 29 ASN HD21 H 1 7.608 . . . . . . . 29 ASN HD21 . 16693 1 241 . 1 1 29 29 ASN HD22 H 1 6.874 . . . . . . . 29 ASN HD22 . 16693 1 242 . 1 1 29 29 ASN C C 13 173.620 . . 1 . . . . 29 ASN C . 16693 1 243 . 1 1 29 29 ASN CA C 13 50.140 . . 1 . . . . 29 ASN CA . 16693 1 244 . 1 1 29 29 ASN CB C 13 37.780 . . 1 . . . . 29 ASN CB . 16693 1 245 . 1 1 29 29 ASN N N 15 121.400 . . 1 . . . . 29 ASN N . 16693 1 246 . 1 1 30 30 ILE H H 1 8.404 . . 1 . . . . 30 ILE H . 16693 1 247 . 1 1 30 30 ILE HA H 1 4.422 . . 1 . . . . 30 ILE HA . 16693 1 248 . 1 1 30 30 ILE HB H 1 1.865 . . 1 . . . . 30 ILE HB . 16693 1 249 . 1 1 30 30 ILE HD11 H 1 0.940 . . 1 . . . . 30 ILE MD . 16693 1 250 . 1 1 30 30 ILE HD12 H 1 0.940 . . 1 . . . . 30 ILE MD . 16693 1 251 . 1 1 30 30 ILE HD13 H 1 0.940 . . 1 . . . . 30 ILE MD . 16693 1 252 . 1 1 30 30 ILE HG12 H 1 1.179 . . . . . . . 30 ILE HG12 . 16693 1 253 . 1 1 30 30 ILE HG13 H 1 1.542 . . . . . . . 30 ILE HG13 . 16693 1 254 . 1 1 30 30 ILE C C 13 174.910 . . 1 . . . . 30 ILE C . 16693 1 255 . 1 1 30 30 ILE CA C 13 58.330 . . 1 . . . . 30 ILE CA . 16693 1 256 . 1 1 30 30 ILE CB C 13 36.380 . . 1 . . . . 30 ILE CB . 16693 1 257 . 1 1 30 30 ILE CD1 C 13 10.250 . . 1 . . . . 30 ILE CD1 . 16693 1 258 . 1 1 30 30 ILE CG1 C 13 24.470 . . 1 . . . . 30 ILE CG1 . 16693 1 259 . 1 1 30 30 ILE N N 15 119.830 . . 1 . . . . 30 ILE N . 16693 1 260 . 1 1 31 31 GLY H H 1 8.437 . . 1 . . . . 31 GLY H . 16693 1 261 . 1 1 31 31 GLY HA2 H 1 3.892 . . . . . . . 31 GLY HA2 . 16693 1 262 . 1 1 31 31 GLY HA3 H 1 3.901 . . . . . . . 31 GLY HA3 . 16693 1 263 . 1 1 31 31 GLY C C 13 174.470 . . 1 . . . . 31 GLY C . 16693 1 264 . 1 1 31 31 GLY CA C 13 42.240 . . 1 . . . . 31 GLY CA . 16693 1 265 . 1 1 31 31 GLY N N 15 110.520 . . 1 . . . . 31 GLY N . 16693 1 266 . 1 1 32 32 LYS H H 1 8.082 . . 1 . . . . 32 LYS H . 16693 1 267 . 1 1 32 32 LYS HA H 1 4.367 . . 1 . . . . 32 LYS HA . 16693 1 268 . 1 1 32 32 LYS HB2 H 1 1.714 . . . . . . . 32 LYS HB2 . 16693 1 269 . 1 1 32 32 LYS HB3 H 1 1.859 . . . . . . . 32 LYS HB3 . 16693 1 270 . 1 1 32 32 LYS C C 13 174.820 . . 1 . . . . 32 LYS C . 16693 1 271 . 1 1 32 32 LYS CA C 13 53.230 . . 1 . . . . 32 LYS CA . 16693 1 272 . 1 1 32 32 LYS CB C 13 31.110 . . 1 . . . . 32 LYS CB . 16693 1 273 . 1 1 32 32 LYS CD C 13 26.700 . . 1 . . . . 32 LYS CD . 16693 1 274 . 1 1 32 32 LYS CG C 13 21.930 . . 1 . . . . 32 LYS CG . 16693 1 275 . 1 1 32 32 LYS N N 15 118.130 . . 1 . . . . 32 LYS N . 16693 1 276 . 1 1 33 33 LYS H H 1 8.327 . . 1 . . . . 33 LYS H . 16693 1 277 . 1 1 33 33 LYS HA H 1 4.360 . . 1 . . . . 33 LYS HA . 16693 1 278 . 1 1 33 33 LYS HB2 H 1 1.725 . . . . . . . 33 LYS HB2 . 16693 1 279 . 1 1 33 33 LYS HB3 H 1 1.859 . . . . . . . 33 LYS HB3 . 16693 1 280 . 1 1 33 33 LYS C C 13 174.390 . . 1 . . . . 33 LYS C . 16693 1 281 . 1 1 33 33 LYS CA C 13 53.340 . . 1 . . . . 33 LYS CA . 16693 1 282 . 1 1 33 33 LYS CB C 13 31.020 . . 1 . . . . 33 LYS CB . 16693 1 283 . 1 1 33 33 LYS CD C 13 26.470 . . . 1 . . . 33 LYS CD . 16693 1 284 . 1 1 33 33 LYS CG C 13 22.030 . . 1 . . . . 33 LYS CG . 16693 1 285 . 1 1 33 33 LYS N N 15 120.430 . . 1 . . . . 33 LYS N . 16693 1 286 . 1 1 34 34 ASP H H 1 8.162 . . 1 . . . . 34 ASP H . 16693 1 287 . 1 1 34 34 ASP HA H 1 4.653 . . 1 . . . . 34 ASP HA . 16693 1 288 . 1 1 34 34 ASP CA C 13 49.260 . . 1 . . . . 34 ASP CA . 16693 1 289 . 1 1 34 34 ASP CB C 13 35.960 . . 1 . . . . 34 ASP CB . 16693 1 290 . 1 1 34 34 ASP N N 15 118.650 . . 1 . . . . 34 ASP N . 16693 1 stop_ save_