################################### # 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_CFC-chemshift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CFC-chemshift _Assigned_chem_shift_list.Entry_ID 7299 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $solution _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 TOCSY 1 $sample isotropic 7299 1 2 NOESY 1 $sample isotropic 7299 1 3 DQF-COSY 1 $sample isotropic 7299 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 2 2 LYS H H 1 8.200 0.01 . 1 . . . . 96 LYS_AC HT1 . 7299 1 2 . 1 1 2 2 LYS HA H 1 4.240 0.01 . 1 . . . . 96 LYS_AC HA . 7299 1 3 . 1 1 2 2 LYS HB2 H 1 1.440 0.01 . 2 . . . . 96 LYS_AC HB2 . 7299 1 4 . 1 1 2 2 LYS HG2 H 1 1.810 0.01 . 2 . . . . 96 LYS_AC HG2 . 7299 1 5 . 1 1 2 2 LYS HD2 H 1 1.720 0.01 . 2 . . . . 96 LYS_AC HD2 . 7299 1 6 . 1 1 2 2 LYS HE3 H 1 3.040 0.01 . 2 . . . . 96 LYS_AC HE2 . 7299 1 7 . 1 1 2 2 LYS HE2 H 1 7.750 0.01 . 2 . . . . 96 LYS_AC HE1 . 7299 1 8 . 1 1 3 3 GLU H H 1 8.330 0.01 . 1 . . . . 97 GLU HN . 7299 1 9 . 1 1 3 3 GLU HA H 1 4.170 0.01 . 1 . . . . 97 GLU HA . 7299 1 10 . 1 1 3 3 GLU HB2 H 1 1.880 0.01 . 2 . . . . 97 GLU HB1 . 7299 1 11 . 1 1 3 3 GLU HB3 H 1 1.970 0.01 . 2 . . . . 97 GLU HB2 . 7299 1 12 . 1 1 3 3 GLU HG2 H 1 1.410 0.01 . 2 . . . . 97 GLU HG1 . 7299 1 13 . 1 1 3 3 GLU HG3 H 1 1.670 0.01 . 2 . . . . 97 GLU HG2 . 7299 1 14 . 1 1 4 4 HIS HA H 1 5.100 0.01 . 1 . . . . 98 HIS HA . 7299 1 15 . 1 1 4 4 HIS HB2 H 1 3.050 0.01 . 2 . . . . 98 HIS HB1 . 7299 1 16 . 1 1 4 4 HIS HB3 H 1 3.260 0.01 . 2 . . . . 98 HIS HB2 . 7299 1 17 . 1 1 4 4 HIS HD2 H 1 8.070 0.01 . 1 . . . . 98 HIS HD2 . 7299 1 18 . 1 1 4 4 HIS HE1 H 1 7.080 0.01 . 1 . . . . 98 HIS HE1 . 7299 1 19 . 1 1 5 5 CYS H H 1 8.950 0.01 . 1 . . . . 99 CYS HN . 7299 1 20 . 1 1 5 5 CYS HA H 1 4.910 0.01 . 1 . . . . 99 CYS HA . 7299 1 21 . 1 1 5 5 CYS HB2 H 1 2.990 0.01 . 2 . . . . 99 CYS HB1 . 7299 1 22 . 1 1 5 5 CYS HB3 H 1 3.170 0.01 . 2 . . . . 99 CYS HB2 . 7299 1 23 . 1 1 6 6 GLY H H 1 8.300 0.01 . 1 . . . . 100 GLY HN . 7299 1 24 . 1 1 6 6 GLY HA2 H 1 3.900 0.01 . 2 . . . . 100 GLY HA1 . 7299 1 25 . 1 1 6 6 GLY HA3 H 1 3.980 0.01 . 2 . . . . 100 GLY HA2 . 7299 1 26 . 1 1 7 7 SER H H 1 8.750 0.01 . 1 . . . . 101 SER HN . 7299 1 27 . 1 1 7 7 SER HA H 1 4.350 0.01 . 1 . . . . 101 SER HA . 7299 1 28 . 1 1 7 7 SER HB2 H 1 3.900 0.01 . 2 . . . . 101 SER HB1 . 7299 1 29 . 1 1 7 7 SER HB3 H 1 4.000 0.01 . 2 . . . . 101 SER HB2 . 7299 1 30 . 1 1 8 8 ILE H H 1 7.650 0.01 . 1 . . . . 102 ILE HN . 7299 1 31 . 1 1 8 8 ILE HA H 1 4.200 0.01 . 1 . . . . 102 ILE HA . 7299 1 32 . 1 1 8 8 ILE HB H 1 2.120 0.01 . 1 . . . . 102 ILE HB . 7299 1 33 . 1 1 8 8 ILE HG12 H 1 1.300 0.01 . 1 . . . . 102 ILE HG11 . 7299 1 34 . 1 1 8 8 ILE HG13 H 1 1.560 0.01 . 1 . . . . 102 ILE HG12 . 7299 1 35 . 1 1 8 8 ILE HG21 H 1 0.910 0.01 . 1 . . . . 102 ILE HG2 . 7299 1 36 . 1 1 8 8 ILE HG22 H 1 0.910 0.01 . 1 . . . . 102 ILE HG2 . 7299 1 37 . 1 1 8 8 ILE HG23 H 1 0.910 0.01 . 1 . . . . 102 ILE HG2 . 7299 1 38 . 1 1 8 8 ILE HD11 H 1 0.890 0.01 . 1 . . . . 102 ILE HD1 . 7299 1 39 . 1 1 8 8 ILE HD12 H 1 0.890 0.01 . 1 . . . . 102 ILE HD1 . 7299 1 40 . 1 1 8 8 ILE HD13 H 1 0.890 0.01 . 1 . . . . 102 ILE HD1 . 7299 1 41 . 1 1 9 9 LEU H H 1 8.020 0.01 . 1 . . . . 103 LEU HN . 7299 1 42 . 1 1 9 9 LEU HA H 1 4.330 0.01 . 1 . . . . 103 LEU HA . 7299 1 43 . 1 1 9 9 LEU HB2 H 1 1.520 0.01 . 2 . . . . 103 LEU HB2 . 7299 1 44 . 1 1 9 9 LEU HG H 1 1.610 0.01 . 1 . . . . 103 LEU HG . 7299 1 45 . 1 1 9 9 LEU HD11 H 1 0.840 0.01 . 2 . . . . 103 LEU HD1 . 7299 1 46 . 1 1 9 9 LEU HD12 H 1 0.840 0.01 . 2 . . . . 103 LEU HD1 . 7299 1 47 . 1 1 9 9 LEU HD13 H 1 0.840 0.01 . 2 . . . . 103 LEU HD1 . 7299 1 48 . 1 1 10 10 HIS H H 1 8.020 0.01 . 1 . . . . 104 HIS HN . 7299 1 49 . 1 1 10 10 HIS HA H 1 3.930 0.01 . 1 . . . . 104 HIS HA . 7299 1 50 . 1 1 10 10 HIS HB2 H 1 2.750 0.01 . 2 . . . . 104 HIS HB1 . 7299 1 51 . 1 1 10 10 HIS HB3 H 1 3.240 0.01 . 2 . . . . 104 HIS HB2 . 7299 1 52 . 1 1 10 10 HIS HD2 H 1 8.200 0.01 . 1 . . . . 104 HIS HD2 . 7299 1 53 . 1 1 10 10 HIS HE1 H 1 6.600 0.01 . 1 . . . . 104 HIS HE1 . 7299 1 54 . 1 1 11 11 GLY H H 1 9.020 0.01 . 1 . . . . 105 GLY HN . 7299 1 55 . 1 1 11 11 GLY HA2 H 1 4.900 0.01 . 2 . . . . 105 GLY HA2 . 7299 1 56 . 1 1 12 12 THR H H 1 7.600 0.01 . 1 . . . . 106 THR HN . 7299 1 57 . 1 1 12 12 THR HA H 1 3.900 0.01 . 1 . . . . 106 THR HA . 7299 1 58 . 1 1 12 12 THR HB H 1 4.370 0.01 . 1 . . . . 106 THR HB . 7299 1 59 . 1 1 12 12 THR HG21 H 1 1.270 0.01 . 1 . . . . 106 THR HG2 . 7299 1 60 . 1 1 12 12 THR HG22 H 1 1.270 0.01 . 1 . . . . 106 THR HG2 . 7299 1 61 . 1 1 12 12 THR HG23 H 1 1.270 0.01 . 1 . . . . 106 THR HG2 . 7299 1 62 . 1 1 13 13 TRP HA H 1 5.400 0.01 . 1 . . . . 107 TRP HA . 7299 1 63 . 1 1 13 13 TRP HB2 H 1 2.980 0.01 . 2 . . . . 107 TRP HB1 . 7299 1 64 . 1 1 13 13 TRP HB3 H 1 3.120 0.01 . 2 . . . . 107 TRP HB2 . 7299 1 65 . 1 1 13 13 TRP HD1 H 1 7.240 0.01 . 1 . . . . 107 TRP HD1 . 7299 1 66 . 1 1 13 13 TRP HE1 H 1 10.100 0.01 . 1 . . . . 107 TRP HE1 . 7299 1 67 . 1 1 13 13 TRP HE3 H 1 7.300 0.01 . 1 . . . . 107 TRP HE3 . 7299 1 68 . 1 1 13 13 TRP HZ2 H 1 7.080 0.01 . 1 . . . . 107 TRP HZ2 . 7299 1 69 . 1 1 13 13 TRP HZ3 H 1 6.890 0.01 . 1 . . . . 107 TRP HZ3 . 7299 1 70 . 1 1 13 13 TRP HH2 H 1 7.380 0.01 . 1 . . . . 107 TRP HH2 . 7299 1 71 . 1 1 14 14 LEU H H 1 9.330 0.01 . 1 . . . . 108 LEU HN . 7299 1 72 . 1 1 14 14 LEU HA H 1 5.000 0.01 . 1 . . . . 108 LEU HA . 7299 1 73 . 1 1 14 14 LEU HB2 H 1 1.420 0.01 . 2 . . . . 108 LEU HB1 . 7299 1 74 . 1 1 14 14 LEU HB3 H 1 1.680 0.01 . 2 . . . . 108 LEU HB2 . 7299 1 75 . 1 1 14 14 LEU HG H 1 1.520 0.01 . 1 . . . . 108 LEU HG . 7299 1 76 . 1 1 14 14 LEU HD11 H 1 0.940 0.01 . 2 . . . . 108 LEU HD1 . 7299 1 77 . 1 1 14 14 LEU HD12 H 1 0.940 0.01 . 2 . . . . 108 LEU HD1 . 7299 1 78 . 1 1 14 14 LEU HD13 H 1 0.940 0.01 . 2 . . . . 108 LEU HD1 . 7299 1 79 . 1 1 14 14 LEU HD21 H 1 0.880 0.01 . 2 . . . . 108 LEU HD2 . 7299 1 80 . 1 1 14 14 LEU HD22 H 1 0.880 0.01 . 2 . . . . 108 LEU HD2 . 7299 1 81 . 1 1 14 14 LEU HD23 H 1 0.880 0.01 . 2 . . . . 108 LEU HD2 . 7299 1 82 . 1 1 15 15 PRO HA H 1 4.870 0.01 . 1 . . . . 109 PRO HA . 7299 1 83 . 1 1 15 15 PRO HB2 H 1 2.090 0.01 . 2 . . . . 109 PRO HB1 . 7299 1 84 . 1 1 15 15 PRO HB3 H 1 2.380 0.01 . 2 . . . . 109 PRO HB2 . 7299 1 85 . 1 1 15 15 PRO HG2 H 1 2.180 0.01 . 2 . . . . 109 PRO HG1 . 7299 1 86 . 1 1 15 15 PRO HG3 H 1 2.300 0.01 . 2 . . . . 109 PRO HG2 . 7299 1 87 . 1 1 15 15 PRO HD2 H 1 3.820 0.01 . 2 . . . . 109 PRO HD1 . 7299 1 88 . 1 1 15 15 PRO HD3 H 1 3.940 0.01 . 2 . . . . 109 PRO HD2 . 7299 1 89 . 1 1 16 16 LYS H H 1 8.400 0.01 . 1 . . . . 110 LYS HN . 7299 1 90 . 1 1 16 16 LYS HA H 1 4.590 0.01 . 1 . . . . 110 LYS HA . 7299 1 91 . 1 1 16 16 LYS HB2 H 1 1.700 0.01 . 2 . . . . 110 LYS HB1 . 7299 1 92 . 1 1 16 16 LYS HB3 H 1 1.920 0.01 . 2 . . . . 110 LYS HB2 . 7299 1 93 . 1 1 16 16 LYS HG2 H 1 1.370 0.01 . 2 . . . . 110 LYS HG2 . 7299 1 94 . 1 1 16 16 LYS HD2 H 1 1.920 0.01 . 2 . . . . 110 LYS HD2 . 7299 1 95 . 1 1 16 16 LYS HE2 H 1 3.040 0.01 . 2 . . . . 110 LYS HE2 . 7299 1 96 . 1 1 16 16 LYS HZ1 H 1 7.750 0.01 . 1 . . . . 110 LYS HZ . 7299 1 97 . 1 1 16 16 LYS HZ2 H 1 7.750 0.01 . 1 . . . . 110 LYS HZ . 7299 1 98 . 1 1 16 16 LYS HZ3 H 1 7.750 0.01 . 1 . . . . 110 LYS HZ . 7299 1 99 . 1 1 17 17 LYS H H 1 8.260 0.01 . 1 . . . . 111 LYS HN . 7299 1 100 . 1 1 17 17 LYS HA H 1 4.270 0.01 . 1 . . . . 111 LYS HA . 7299 1 101 . 1 1 17 17 LYS HB2 H 1 1.760 0.01 . 2 . . . . 111 LYS HB2 . 7299 1 102 . 1 1 17 17 LYS HG2 H 1 1.460 0.01 . 2 . . . . 111 LYS HG2 . 7299 1 103 . 1 1 17 17 LYS HD2 H 1 1.760 0.01 . 2 . . . . 111 LYS HD2 . 7299 1 104 . 1 1 17 17 LYS HE2 H 1 3.040 0.01 . 2 . . . . 111 LYS HE2 . 7299 1 105 . 1 1 17 17 LYS HZ1 H 1 7.750 0.01 . 1 . . . . 111 LYS HZ . 7299 1 106 . 1 1 17 17 LYS HZ2 H 1 7.750 0.01 . 1 . . . . 111 LYS HZ . 7299 1 107 . 1 1 17 17 LYS HZ3 H 1 7.750 0.01 . 1 . . . . 111 LYS HZ . 7299 1 108 . 1 1 18 18 CYS H H 1 8.490 0.01 . 1 . . . . 112 CYS HN . 7299 1 109 . 1 1 18 18 CYS HA H 1 4.620 0.01 . 1 . . . . 112 CYS HA . 7299 1 110 . 1 1 18 18 CYS HB2 H 1 2.710 0.01 . 2 . . . . 112 CYS HB2 . 7299 1 111 . 1 1 19 19 SER H H 1 7.750 0.01 . 1 . . . . 113 SER HN . 7299 1 112 . 1 1 19 19 SER HA H 1 4.980 0.01 . 1 . . . . 113 SER HA . 7299 1 113 . 1 1 19 19 SER HB2 H 1 3.590 0.01 . 2 . . . . 113 SER HB1 . 7299 1 114 . 1 1 19 19 SER HB3 H 1 3.720 0.01 . 2 . . . . 113 SER HB2 . 7299 1 115 . 1 1 20 20 LEU H H 1 8.150 0.01 . 1 . . . . 114 LEU HN . 7299 1 116 . 1 1 20 20 LEU HA H 1 4.390 0.01 . 1 . . . . 114 LEU HA . 7299 1 117 . 1 1 20 20 LEU HB2 H 1 1.560 0.01 . 2 . . . . 114 LEU HB2 . 7299 1 118 . 1 1 20 20 LEU HG H 1 1.560 0.01 . 1 . . . . 114 LEU HG . 7299 1 119 . 1 1 20 20 LEU HD11 H 1 0.900 0.01 . 2 . . . . 114 LEU HD1 . 7299 1 120 . 1 1 20 20 LEU HD12 H 1 0.900 0.01 . 2 . . . . 114 LEU HD1 . 7299 1 121 . 1 1 20 20 LEU HD13 H 1 0.900 0.01 . 2 . . . . 114 LEU HD1 . 7299 1 122 . 1 1 21 21 CYS H H 1 8.530 0.01 . 1 . . . . 115 CYS HN . 7299 1 123 . 1 1 21 21 CYS HA H 1 5.840 0.01 . 1 . . . . 115 CYS HA . 7299 1 124 . 1 1 21 21 CYS HB2 H 1 2.630 0.01 . 2 . . . . 115 CYS HB1 . 7299 1 125 . 1 1 21 21 CYS HB3 H 1 3.310 0.01 . 2 . . . . 115 CYS HB2 . 7299 1 126 . 1 1 22 22 ARG H H 1 9.020 0.01 . 1 . . . . 116 ARG HN . 7299 1 127 . 1 1 22 22 ARG HA H 1 4.810 0.01 . 1 . . . . 116 ARG HA . 7299 1 128 . 1 1 22 22 ARG HB2 H 1 1.740 0.01 . 2 . . . . 116 ARG HB2 . 7299 1 129 . 1 1 22 22 ARG HG2 H 1 1.340 0.01 . 2 . . . . 116 ARG HG1 . 7299 1 130 . 1 1 22 22 ARG HG3 H 1 1.460 0.01 . 2 . . . . 116 ARG HG2 . 7299 1 131 . 1 1 22 22 ARG HD2 H 1 3.120 0.01 . 2 . . . . 116 ARG HD2 . 7299 1 132 . 1 1 22 22 ARG HE H 1 7.220 0.01 . 1 . . . . 116 ARG HE . 7299 1 133 . 1 1 23 23 CYS H H 1 8.420 0.01 . 1 . . . . 117 CYS HN . 7299 1 134 . 1 1 23 23 CYS HA H 1 4.990 0.01 . 1 . . . . 117 CYS HA . 7299 1 135 . 1 1 23 23 CYS HB2 H 1 2.650 0.01 . 2 . . . . 117 CYS HB1 . 7299 1 136 . 1 1 23 23 CYS HB3 H 1 3.030 0.01 . 2 . . . . 117 CYS HB2 . 7299 1 137 . 1 1 24 24 TRP H H 1 9.620 0.01 . 1 . . . . 118 TRP HN . 7299 1 138 . 1 1 24 24 TRP HA H 1 5.200 0.01 . 1 . . . . 118 TRP HA . 7299 1 139 . 1 1 24 24 TRP HB2 H 1 2.650 0.01 . 2 . . . . 118 TRP HB1 . 7299 1 140 . 1 1 24 24 TRP HB3 H 1 3.410 0.01 . 2 . . . . 118 TRP HB2 . 7299 1 141 . 1 1 24 24 TRP HD1 H 1 7.630 0.01 . 1 . . . . 118 TRP HD1 . 7299 1 142 . 1 1 24 24 TRP HE1 H 1 10.400 0.01 . 1 . . . . 118 TRP HE1 . 7299 1 143 . 1 1 24 24 TRP HE3 H 1 7.250 0.01 . 1 . . . . 118 TRP HE3 . 7299 1 144 . 1 1 24 24 TRP HZ2 H 1 7.380 0.01 . 1 . . . . 118 TRP HZ2 . 7299 1 145 . 1 1 24 24 TRP HZ3 H 1 6.900 0.01 . 1 . . . . 118 TRP HZ3 . 7299 1 146 . 1 1 24 24 TRP HH2 H 1 7.080 0.01 . 1 . . . . 118 TRP HH2 . 7299 1 147 . 1 1 25 25 HIS H H 1 8.580 0.01 . 1 . . . . 119 HIS HN . 7299 1 148 . 1 1 25 25 HIS HA H 1 4.310 0.01 . 1 . . . . 119 HIS HA . 7299 1 149 . 1 1 25 25 HIS HB2 H 1 3.380 0.01 . 2 . . . . 119 HIS HB2 . 7299 1 150 . 1 1 25 25 HIS HD2 H 1 8.040 0.01 . 1 . . . . 119 HIS HD2 . 7299 1 151 . 1 1 25 25 HIS HE1 H 1 6.550 0.01 . 1 . . . . 119 HIS HE1 . 7299 1 152 . 1 1 26 26 GLY HA2 H 1 3.510 0.01 . 2 . . . . 120 GLY HA1 . 7299 1 153 . 1 1 26 26 GLY HA3 H 1 4.130 0.01 . 2 . . . . 120 GLY HA2 . 7299 1 154 . 1 1 27 27 GLN H H 1 7.570 0.01 . 1 . . . . 121 GLN HN . 7299 1 155 . 1 1 27 27 GLN HA H 1 4.590 0.01 . 1 . . . . 121 GLN HA . 7299 1 156 . 1 1 27 27 GLN HB2 H 1 2.030 0.01 . 2 . . . . 121 GLN HB1 . 7299 1 157 . 1 1 27 27 GLN HB3 H 1 2.230 0.01 . 2 . . . . 121 GLN HB2 . 7299 1 158 . 1 1 27 27 GLN HG2 H 1 1.910 0.01 . 2 . . . . 121 GLN HG1 . 7299 1 159 . 1 1 27 27 GLN HG3 H 1 2.310 0.01 . 2 . . . . 121 GLN HG2 . 7299 1 160 . 1 1 27 27 GLN HE21 H 1 8.400 0.01 . 2 . . . . 121 GLN HE21 . 7299 1 161 . 1 1 27 27 GLN HE22 H 1 6.740 0.01 . 2 . . . . 121 GLN HE22 . 7299 1 162 . 1 1 28 28 LEU H H 1 8.680 0.01 . 1 . . . . 122 LEU HN . 7299 1 163 . 1 1 28 28 LEU HA H 1 4.750 0.01 . 1 . . . . 122 LEU HA . 7299 1 164 . 1 1 28 28 LEU HB2 H 1 1.510 0.01 . 2 . . . . 122 LEU HB2 . 7299 1 165 . 1 1 28 28 LEU HG H 1 1.510 0.01 . 1 . . . . 122 LEU HG . 7299 1 166 . 1 1 28 28 LEU HD11 H 1 0.810 0.01 . 2 . . . . 122 LEU HD1 . 7299 1 167 . 1 1 28 28 LEU HD12 H 1 0.810 0.01 . 2 . . . . 122 LEU HD1 . 7299 1 168 . 1 1 28 28 LEU HD13 H 1 0.810 0.01 . 2 . . . . 122 LEU HD1 . 7299 1 169 . 1 1 29 29 HIS HA H 1 4.830 0.01 . 1 . . . . 123 HIS HA . 7299 1 170 . 1 1 29 29 HIS HB2 H 1 2.800 0.01 . 2 . . . . 123 HIS HB1 . 7299 1 171 . 1 1 29 29 HIS HB3 H 1 3.370 0.01 . 2 . . . . 123 HIS HB2 . 7299 1 172 . 1 1 29 29 HIS HD2 H 1 8.540 0.01 . 1 . . . . 123 HIS HD2 . 7299 1 173 . 1 1 30 30 CYS HA H 1 5.520 0.01 . 1 . . . . 124 CYS HA . 7299 1 174 . 1 1 30 30 CYS HB2 H 1 2.780 0.01 . 2 . . . . 124 CYS HB1 . 7299 1 175 . 1 1 30 30 CYS HB3 H 1 3.100 0.01 . 2 . . . . 124 CYS HB2 . 7299 1 176 . 1 1 31 31 LEU H H 1 8.950 0.01 . 1 . . . . 125 LEU HN . 7299 1 177 . 1 1 31 31 LEU HA H 1 5.020 0.01 . 1 . . . . 125 LEU HA . 7299 1 178 . 1 1 31 31 LEU HB2 H 1 1.760 0.01 . 2 . . . . 125 LEU HB1 . 7299 1 179 . 1 1 31 31 LEU HB3 H 1 1.800 0.01 . 2 . . . . 125 LEU HB2 . 7299 1 180 . 1 1 31 31 LEU HG H 1 1.920 0.01 . 1 . . . . 125 LEU HG . 7299 1 181 . 1 1 31 31 LEU HD11 H 1 1.140 0.01 . 2 . . . . 125 LEU HD1 . 7299 1 182 . 1 1 31 31 LEU HD12 H 1 1.140 0.01 . 2 . . . . 125 LEU HD1 . 7299 1 183 . 1 1 31 31 LEU HD13 H 1 1.140 0.01 . 2 . . . . 125 LEU HD1 . 7299 1 184 . 1 1 32 32 ILE HA H 1 4.560 0.01 . 1 . . . . 126 ILE HA . 7299 1 185 . 1 1 32 32 ILE HB H 1 2.200 0.01 . 2 . . . . 126 ILE HB1 . 7299 1 186 . 1 1 32 32 ILE HG12 H 1 1.980 0.01 . 1 . . . . 126 ILE HG1 . 7299 1 187 . 1 1 32 32 ILE HG13 H 1 1.980 0.01 . 1 . . . . 126 ILE HG1 . 7299 1 188 . 1 1 32 32 ILE HG21 H 1 2.120 0.01 . 1 . . . . 126 ILE HG2 . 7299 1 189 . 1 1 32 32 ILE HG22 H 1 2.120 0.01 . 1 . . . . 126 ILE HG2 . 7299 1 190 . 1 1 32 32 ILE HG23 H 1 2.120 0.01 . 1 . . . . 126 ILE HG2 . 7299 1 191 . 1 1 32 32 ILE HD11 H 1 3.810 0.01 . 1 . . . . 126 ILE HD1 . 7299 1 192 . 1 1 32 32 ILE HD12 H 1 3.810 0.01 . 1 . . . . 126 ILE HD1 . 7299 1 193 . 1 1 32 32 ILE HD13 H 1 3.810 0.01 . 1 . . . . 126 ILE HD1 . 7299 1 194 . 1 1 33 33 GLN H H 1 8.550 0.01 . 1 . . . . 127 GLN HN . 7299 1 195 . 1 1 33 33 GLN HA H 1 4.300 0.01 . 1 . . . . 127 GLN HA . 7299 1 196 . 1 1 33 33 GLN HB2 H 1 2.760 0.01 . 2 . . . . 127 GLN HB2 . 7299 1 197 . 1 1 33 33 GLN HG2 H 1 1.970 0.01 . 2 . . . . 127 GLN HG1 . 7299 1 198 . 1 1 33 33 GLN HG3 H 1 2.240 0.01 . 2 . . . . 127 GLN HG2 . 7299 1 199 . 1 1 33 33 GLN HE21 H 1 7.530 0.01 . 2 . . . . 127 GLN HE21 . 7299 1 200 . 1 1 33 33 GLN HE22 H 1 6.880 0.01 . 2 . . . . 127 GLN HE22 . 7299 1 201 . 1 1 34 34 THR H H 1 8.080 0.01 . 1 . . . . 128 THR HN . 7299 1 202 . 1 1 34 34 THR HA H 1 4.360 0.01 . 1 . . . . 128 THR HA . 7299 1 203 . 1 1 34 34 THR HB H 1 4.220 0.01 . 1 . . . . 128 THR HB . 7299 1 204 . 1 1 34 34 THR HG21 H 1 1.180 0.01 . 1 . . . . 128 THR HG2 . 7299 1 205 . 1 1 34 34 THR HG22 H 1 1.180 0.01 . 1 . . . . 128 THR HG2 . 7299 1 206 . 1 1 34 34 THR HG23 H 1 1.180 0.01 . 1 . . . . 128 THR HG2 . 7299 1 207 . 1 1 35 35 PHE HA H 1 4.140 0.01 . 1 . . . . 129 PHE HA . 7299 1 208 . 1 1 35 35 PHE HB2 H 1 3.060 0.01 . 2 . . . . 129 PHE HB1 . 7299 1 209 . 1 1 35 35 PHE HB3 H 1 3.260 0.01 . 2 . . . . 129 PHE HB2 . 7299 1 210 . 1 1 35 35 PHE HD1 H 1 7.380 0.01 . 3 . . . . 129 PHE HD1 . 7299 1 211 . 1 1 35 35 PHE HE1 H 1 7.590 0.01 . 3 . . . . 129 PHE HE1 . 7299 1 212 . 1 1 35 35 PHE HZ H 1 7.480 0.01 . 1 . . . . 129 PHE HZ . 7299 1 213 . 1 1 36 36 LEU H H 1 7.510 0.01 . 1 . . . . 130 LEU HN . 7299 1 214 . 1 1 36 36 LEU HA H 1 4.640 0.01 . 1 . . . . 130 LEU HA . 7299 1 215 . 1 1 36 36 LEU HB2 H 1 1.550 0.01 . 2 . . . . 130 LEU HB2 . 7299 1 216 . 1 1 36 36 LEU HG H 1 1.550 0.01 . 1 . . . . 130 LEU HG . 7299 1 217 . 1 1 36 36 LEU HD11 H 1 0.920 0.01 . 2 . . . . 130 LEU HD1 . 7299 1 218 . 1 1 36 36 LEU HD12 H 1 0.920 0.01 . 2 . . . . 130 LEU HD1 . 7299 1 219 . 1 1 36 36 LEU HD13 H 1 0.920 0.01 . 2 . . . . 130 LEU HD1 . 7299 1 220 . 1 1 36 36 LEU HD21 H 1 0.870 0.01 . 2 . . . . 130 LEU HD2 . 7299 1 221 . 1 1 36 36 LEU HD22 H 1 0.870 0.01 . 2 . . . . 130 LEU HD2 . 7299 1 222 . 1 1 36 36 LEU HD23 H 1 0.870 0.01 . 2 . . . . 130 LEU HD2 . 7299 1 223 . 1 1 37 37 PRO HA H 1 4.370 0.01 . 1 . . . . 131 PRO HA . 7299 1 224 . 1 1 37 37 PRO HB2 H 1 2.080 0.01 . 2 . . . . 131 PRO HB1 . 7299 1 225 . 1 1 37 37 PRO HB3 H 1 2.400 0.01 . 2 . . . . 131 PRO HB2 . 7299 1 226 . 1 1 37 37 PRO HG2 H 1 1.960 0.01 . 2 . . . . 131 PRO HG1 . 7299 1 227 . 1 1 37 37 PRO HG3 H 1 2.310 0.01 . 2 . . . . 131 PRO HG2 . 7299 1 228 . 1 1 37 37 PRO HD2 H 1 3.620 0.01 . 2 . . . . 131 PRO HD1 . 7299 1 229 . 1 1 37 37 PRO HD3 H 1 3.930 0.01 . 2 . . . . 131 PRO HD2 . 7299 1 230 . 1 1 38 38 GLY H H 1 8.860 0.01 . 1 . . . . 132 GLY HN . 7299 1 231 . 1 1 38 38 GLY HA2 H 1 3.860 0.01 . 2 . . . . 132 GLY HA1 . 7299 1 232 . 1 1 38 38 GLY HA3 H 1 4.200 0.01 . 2 . . . . 132 GLY HA2 . 7299 1 233 . 1 1 39 39 CYS H H 1 7.830 0.01 . 1 . . . . 133 CYS HN . 7299 1 234 . 1 1 39 39 CYS HA H 1 4.850 0.01 . 1 . . . . 133 CYS HA . 7299 1 235 . 1 1 39 39 CYS HB2 H 1 2.940 0.01 . 2 . . . . 133 CYS HB1 . 7299 1 236 . 1 1 39 39 CYS HB3 H 1 3.130 0.01 . 2 . . . . 133 CYS HB2 . 7299 1 237 . 1 1 40 40 ASP HA H 1 4.610 0.01 . 1 . . . . 134 ASP_NH2 HA . 7299 1 238 . 1 1 40 40 ASP HB2 H 1 2.780 0.01 . 2 . . . . 134 ASP_NH2 HB2 . 7299 1 239 . 1 1 41 41 NH2 HN1 H 1 8.580 0.01 . 1 . . . . 134 ASP_NH2 HN . 7299 1 stop_ save_