################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7188 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _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 'Wild-type Im7 in native conditions' _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 . '2D 15N-1H HSQC' 1 $sample_1 isotropic 7188 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 MET HA H 1 3.970 0.02 . 1 . . . . 1 MET HA . 7188 1 2 . 1 1 1 1 MET C C 13 171.920 0.2 . 1 . . . . 1 MET C . 7188 1 3 . 1 1 1 1 MET CA C 13 55.000 0.2 . 1 . . . . 1 MET CA . 7188 1 4 . 1 1 1 1 MET CB C 13 33.290 0.2 . 1 . . . . 1 MET CB . 7188 1 5 . 1 1 2 2 GLU H H 1 8.660 0.02 . 1 . . . . 2 GLU HN . 7188 1 6 . 1 1 2 2 GLU HA H 1 4.240 0.02 . 1 . . . . 2 GLU HA . 7188 1 7 . 1 1 2 2 GLU C C 13 175.090 0.2 . 1 . . . . 2 GLU C . 7188 1 8 . 1 1 2 2 GLU CA C 13 55.930 0.2 . 1 . . . . 2 GLU CA . 7188 1 9 . 1 1 2 2 GLU CB C 13 30.150 0.2 . 1 . . . . 2 GLU CB . 7188 1 10 . 1 1 2 2 GLU N N 15 125.320 0.38 . 1 . . . . 2 GLU N . 7188 1 11 . 1 1 3 3 LEU H H 1 8.420 0.02 . 1 . . . . 3 LEU HN . 7188 1 12 . 1 1 3 3 LEU HA H 1 4.300 0.02 . 1 . . . . 3 LEU HA . 7188 1 13 . 1 1 3 3 LEU C C 13 177.160 0.2 . 1 . . . . 3 LEU C . 7188 1 14 . 1 1 3 3 LEU CA C 13 54.250 0.2 . 1 . . . . 3 LEU CA . 7188 1 15 . 1 1 3 3 LEU CB C 13 40.710 0.2 . 1 . . . . 3 LEU CB . 7188 1 16 . 1 1 3 3 LEU N N 15 125.480 0.38 . 1 . . . . 3 LEU N . 7188 1 17 . 1 1 4 4 LYS H H 1 7.790 0.02 . 1 . . . . 4 LYS HN . 7188 1 18 . 1 1 4 4 LYS HA H 1 4.340 0.02 . 1 . . . . 4 LYS HA . 7188 1 19 . 1 1 4 4 LYS C C 13 176.280 0.2 . 1 . . . . 4 LYS C . 7188 1 20 . 1 1 4 4 LYS CA C 13 55.490 0.2 . 1 . . . . 4 LYS CA . 7188 1 21 . 1 1 4 4 LYS CB C 13 33.430 0.2 . 1 . . . . 4 LYS CB . 7188 1 22 . 1 1 4 4 LYS N N 15 123.000 0.38 . 1 . . . . 4 LYS N . 7188 1 23 . 1 1 5 5 ASN H H 1 8.410 0.02 . 1 . . . . 5 ASN HN . 7188 1 24 . 1 1 5 5 ASN HA H 1 4.560 0.02 . 1 . . . . 5 ASN HA . 7188 1 25 . 1 1 5 5 ASN C C 13 175.100 0.2 . 1 . . . . 5 ASN C . 7188 1 26 . 1 1 5 5 ASN CA C 13 55.700 0.2 . 1 . . . . 5 ASN CA . 7188 1 27 . 1 1 5 5 ASN CB C 13 40.060 0.2 . 1 . . . . 5 ASN CB . 7188 1 28 . 1 1 5 5 ASN N N 15 115.560 0.38 . 1 . . . . 5 ASN N . 7188 1 29 . 1 1 6 6 SER H H 1 8.050 0.02 . 1 . . . . 6 SER HN . 7188 1 30 . 1 1 6 6 SER HA H 1 4.710 0.02 . 1 . . . . 6 SER HA . 7188 1 31 . 1 1 6 6 SER C C 13 174.900 0.2 . 1 . . . . 6 SER C . 7188 1 32 . 1 1 6 6 SER CA C 13 56.780 0.2 . 1 . . . . 6 SER CA . 7188 1 33 . 1 1 6 6 SER CB C 13 65.960 0.2 . 1 . . . . 6 SER CB . 7188 1 34 . 1 1 6 6 SER N N 15 112.000 0.38 . 1 . . . . 6 SER N . 7188 1 35 . 1 1 7 7 ILE H H 1 9.300 0.02 . 1 . . . . 7 ILE HN . 7188 1 36 . 1 1 7 7 ILE HA H 1 3.920 0.02 . 1 . . . . 7 ILE HA . 7188 1 37 . 1 1 7 7 ILE C C 13 175.370 0.2 . 1 . . . . 7 ILE C . 7188 1 38 . 1 1 7 7 ILE CA C 13 64.910 0.2 . 1 . . . . 7 ILE CA . 7188 1 39 . 1 1 7 7 ILE CB C 13 36.880 0.2 . 1 . . . . 7 ILE CB . 7188 1 40 . 1 1 7 7 ILE N N 15 125.770 0.38 . 1 . . . . 7 ILE N . 7188 1 41 . 1 1 8 8 SER H H 1 7.350 0.02 . 1 . . . . 8 SER HN . 7188 1 42 . 1 1 8 8 SER HA H 1 4.640 0.02 . 1 . . . . 8 SER HA . 7188 1 43 . 1 1 8 8 SER C C 13 174.220 0.2 . 1 . . . . 8 SER C . 7188 1 44 . 1 1 8 8 SER CA C 13 59.240 0.2 . 1 . . . . 8 SER CA . 7188 1 45 . 1 1 8 8 SER CB C 13 63.160 0.2 . 1 . . . . 8 SER CB . 7188 1 46 . 1 1 8 8 SER N N 15 112.180 0.38 . 1 . . . . 8 SER N . 7188 1 47 . 1 1 9 9 ASP H H 1 7.700 0.02 . 1 . . . . 9 ASP HN . 7188 1 48 . 1 1 9 9 ASP HA H 1 4.700 0.02 . 1 . . . . 9 ASP HA . 7188 1 49 . 1 1 9 9 ASP C C 13 175.970 0.2 . 1 . . . . 9 ASP C . 7188 1 50 . 1 1 9 9 ASP CA C 13 55.040 0.2 . 1 . . . . 9 ASP CA . 7188 1 51 . 1 1 9 9 ASP CB C 13 43.350 0.2 . 1 . . . . 9 ASP CB . 7188 1 52 . 1 1 9 9 ASP N N 15 117.950 0.38 . 1 . . . . 9 ASP N . 7188 1 53 . 1 1 10 10 TYR H H 1 8.130 0.02 . 1 . . . . 10 TYR HN . 7188 1 54 . 1 1 10 10 TYR HA H 1 4.960 0.02 . 1 . . . . 10 TYR HA . 7188 1 55 . 1 1 10 10 TYR C C 13 177.510 0.2 . 1 . . . . 10 TYR C . 7188 1 56 . 1 1 10 10 TYR CA C 13 58.270 0.2 . 1 . . . . 10 TYR CA . 7188 1 57 . 1 1 10 10 TYR CB C 13 40.830 0.2 . 1 . . . . 10 TYR CB . 7188 1 58 . 1 1 10 10 TYR N N 15 120.190 0.38 . 1 . . . . 10 TYR N . 7188 1 59 . 1 1 11 11 THR H H 1 8.790 0.02 . 1 . . . . 11 THR HN . 7188 1 60 . 1 1 11 11 THR HA H 1 4.970 0.02 . 1 . . . . 11 THR HA . 7188 1 61 . 1 1 11 11 THR C C 13 176.120 0.2 . 1 . . . . 11 THR C . 7188 1 62 . 1 1 11 11 THR CA C 13 60.590 0.2 . 1 . . . . 11 THR CA . 7188 1 63 . 1 1 11 11 THR CB C 13 70.920 0.2 . 1 . . . . 11 THR CB . 7188 1 64 . 1 1 11 11 THR N N 15 112.250 0.38 . 1 . . . . 11 THR N . 7188 1 65 . 1 1 12 12 GLU H H 1 9.100 0.02 . 1 . . . . 12 GLU HN . 7188 1 66 . 1 1 12 12 GLU HA H 1 4.660 0.02 . 1 . . . . 12 GLU HA . 7188 1 67 . 1 1 12 12 GLU C C 13 178.320 0.2 . 1 . . . . 12 GLU C . 7188 1 68 . 1 1 12 12 GLU CA C 13 60.720 0.2 . 1 . . . . 12 GLU CA . 7188 1 69 . 1 1 12 12 GLU CB C 13 29.240 0.2 . 1 . . . . 12 GLU CB . 7188 1 70 . 1 1 12 12 GLU N N 15 121.970 0.38 . 1 . . . . 12 GLU N . 7188 1 71 . 1 1 13 13 ALA H H 1 8.260 0.02 . 1 . . . . 13 ALA HN . 7188 1 72 . 1 1 13 13 ALA HA H 1 4.350 0.02 . 1 . . . . 13 ALA HA . 7188 1 73 . 1 1 13 13 ALA C C 13 181.810 0.2 . 1 . . . . 13 ALA C . 7188 1 74 . 1 1 13 13 ALA CA C 13 55.190 0.2 . 1 . . . . 13 ALA CA . 7188 1 75 . 1 1 13 13 ALA CB C 13 18.200 0.2 . 1 . . . . 13 ALA CB . 7188 1 76 . 1 1 13 13 ALA N N 15 118.610 0.38 . 1 . . . . 13 ALA N . 7188 1 77 . 1 1 14 14 GLU H H 1 7.950 0.02 . 1 . . . . 14 GLU HN . 7188 1 78 . 1 1 14 14 GLU HA H 1 4.050 0.02 . 1 . . . . 14 GLU HA . 7188 1 79 . 1 1 14 14 GLU C C 13 179.170 0.2 . 1 . . . . 14 GLU C . 7188 1 80 . 1 1 14 14 GLU CA C 13 58.950 0.2 . 1 . . . . 14 GLU CA . 7188 1 81 . 1 1 14 14 GLU CB C 13 31.310 0.2 . 1 . . . . 14 GLU CB . 7188 1 82 . 1 1 14 14 GLU N N 15 119.260 0.38 . 1 . . . . 14 GLU N . 7188 1 83 . 1 1 15 15 PHE H H 1 8.500 0.02 . 1 . . . . 15 PHE HN . 7188 1 84 . 1 1 15 15 PHE HA H 1 3.920 0.02 . 1 . . . . 15 PHE HA . 7188 1 85 . 1 1 15 15 PHE C C 13 177.630 0.2 . 1 . . . . 15 PHE C . 7188 1 86 . 1 1 15 15 PHE CA C 13 62.100 0.2 . 1 . . . . 15 PHE CA . 7188 1 87 . 1 1 15 15 PHE CB C 13 40.280 0.2 . 1 . . . . 15 PHE CB . 7188 1 88 . 1 1 15 15 PHE N N 15 124.200 0.38 . 1 . . . . 15 PHE N . 7188 1 89 . 1 1 16 16 VAL H H 1 8.550 0.02 . 1 . . . . 16 VAL HN . 7188 1 90 . 1 1 16 16 VAL HA H 1 3.360 0.02 . 1 . . . . 16 VAL HA . 7188 1 91 . 1 1 16 16 VAL C C 13 177.810 0.2 . 1 . . . . 16 VAL C . 7188 1 92 . 1 1 16 16 VAL CA C 13 67.750 0.2 . 1 . . . . 16 VAL CA . 7188 1 93 . 1 1 16 16 VAL CB C 13 31.310 0.2 . 1 . . . . 16 VAL CB . 7188 1 94 . 1 1 16 16 VAL N N 15 119.660 0.38 . 1 . . . . 16 VAL N . 7188 1 95 . 1 1 17 17 GLN H H 1 7.490 0.02 . 1 . . . . 17 GLN HN . 7188 1 96 . 1 1 17 17 GLN HA H 1 3.850 0.02 . 1 . . . . 17 GLN HA . 7188 1 97 . 1 1 17 17 GLN C C 13 178.430 0.2 . 1 . . . . 17 GLN C . 7188 1 98 . 1 1 17 17 GLN CA C 13 59.150 0.2 . 1 . . . . 17 GLN CA . 7188 1 99 . 1 1 17 17 GLN CB C 13 27.610 0.2 . 1 . . . . 17 GLN CB . 7188 1 100 . 1 1 17 17 GLN N N 15 117.810 0.38 . 1 . . . . 17 GLN N . 7188 1 101 . 1 1 18 18 LEU H H 1 7.520 0.02 . 1 . . . . 18 LEU HN . 7188 1 102 . 1 1 18 18 LEU HA H 1 4.000 0.02 . 1 . . . . 18 LEU HA . 7188 1 103 . 1 1 18 18 LEU C C 13 178.280 0.2 . 1 . . . . 18 LEU C . 7188 1 104 . 1 1 18 18 LEU CA C 13 58.760 0.2 . 1 . . . . 18 LEU CA . 7188 1 105 . 1 1 18 18 LEU CB C 13 40.420 0.2 . 1 . . . . 18 LEU CB . 7188 1 106 . 1 1 18 18 LEU N N 15 122.540 0.38 . 1 . . . . 18 LEU N . 7188 1 107 . 1 1 19 19 LEU H H 1 7.690 0.02 . 1 . . . . 19 LEU HN . 7188 1 108 . 1 1 19 19 LEU HA H 1 3.730 0.02 . 1 . . . . 19 LEU HA . 7188 1 109 . 1 1 19 19 LEU C C 13 180.060 0.2 . 1 . . . . 19 LEU C . 7188 1 110 . 1 1 19 19 LEU CA C 13 57.700 0.2 . 1 . . . . 19 LEU CA . 7188 1 111 . 1 1 19 19 LEU CB C 13 40.770 0.2 . 1 . . . . 19 LEU CB . 7188 1 112 . 1 1 19 19 LEU N N 15 119.100 0.38 . 1 . . . . 19 LEU N . 7188 1 113 . 1 1 20 20 LYS H H 1 8.350 0.02 . 1 . . . . 20 LYS HN . 7188 1 114 . 1 1 20 20 LYS HA H 1 3.950 0.02 . 1 . . . . 20 LYS HA . 7188 1 115 . 1 1 20 20 LYS C C 13 179.470 0.2 . 1 . . . . 20 LYS C . 7188 1 116 . 1 1 20 20 LYS CA C 13 59.320 0.2 . 1 . . . . 20 LYS CA . 7188 1 117 . 1 1 20 20 LYS CB C 13 31.600 0.2 . 1 . . . . 20 LYS CB . 7188 1 118 . 1 1 20 20 LYS N N 15 120.640 0.38 . 1 . . . . 20 LYS N . 7188 1 119 . 1 1 21 21 GLU H H 1 8.080 0.02 . 1 . . . . 21 GLU HN . 7188 1 120 . 1 1 21 21 GLU HA H 1 4.020 0.02 . 1 . . . . 21 GLU HA . 7188 1 121 . 1 1 21 21 GLU C C 13 178.970 0.2 . 1 . . . . 21 GLU C . 7188 1 122 . 1 1 21 21 GLU CA C 13 59.310 0.2 . 1 . . . . 21 GLU CA . 7188 1 123 . 1 1 21 21 GLU CB C 13 28.740 0.2 . 1 . . . . 21 GLU CB . 7188 1 124 . 1 1 21 21 GLU N N 15 123.170 0.38 . 1 . . . . 21 GLU N . 7188 1 125 . 1 1 22 22 ILE H H 1 7.950 0.02 . 1 . . . . 22 ILE HN . 7188 1 126 . 1 1 22 22 ILE HA H 1 3.270 0.02 . 1 . . . . 22 ILE HA . 7188 1 127 . 1 1 22 22 ILE C C 13 177.030 0.2 . 1 . . . . 22 ILE C . 7188 1 128 . 1 1 22 22 ILE CA C 13 66.380 0.2 . 1 . . . . 22 ILE CA . 7188 1 129 . 1 1 22 22 ILE CB C 13 37.900 0.2 . 1 . . . . 22 ILE CB . 7188 1 130 . 1 1 22 22 ILE N N 15 120.540 0.38 . 1 . . . . 22 ILE N . 7188 1 131 . 1 1 23 23 GLU H H 1 7.720 0.02 . 1 . . . . 23 GLU HN . 7188 1 132 . 1 1 23 23 GLU HA H 1 3.940 0.02 . 1 . . . . 23 GLU HA . 7188 1 133 . 1 1 23 23 GLU C C 13 179.000 0.2 . 1 . . . . 23 GLU C . 7188 1 134 . 1 1 23 23 GLU CA C 13 59.210 0.2 . 1 . . . . 23 GLU CA . 7188 1 135 . 1 1 23 23 GLU CB C 13 29.560 0.2 . 1 . . . . 23 GLU CB . 7188 1 136 . 1 1 23 23 GLU N N 15 118.650 0.38 . 1 . . . . 23 GLU N . 7188 1 137 . 1 1 24 24 LYS H H 1 7.560 0.02 . 1 . . . . 24 LYS HN . 7188 1 138 . 1 1 24 24 LYS HA H 1 3.980 0.02 . 1 . . . . 24 LYS HA . 7188 1 139 . 1 1 24 24 LYS C C 13 179.320 0.2 . 1 . . . . 24 LYS C . 7188 1 140 . 1 1 24 24 LYS CA C 13 59.090 0.2 . 1 . . . . 24 LYS CA . 7188 1 141 . 1 1 24 24 LYS CB C 13 32.470 0.2 . 1 . . . . 24 LYS CB . 7188 1 142 . 1 1 24 24 LYS N N 15 119.230 0.38 . 1 . . . . 24 LYS N . 7188 1 143 . 1 1 25 25 GLU H H 1 8.220 0.02 . 1 . . . . 25 GLU HN . 7188 1 144 . 1 1 25 25 GLU HA H 1 4.220 0.02 . 1 . . . . 25 GLU HA . 7188 1 145 . 1 1 25 25 GLU C C 13 178.090 0.2 . 1 . . . . 25 GLU C . 7188 1 146 . 1 1 25 25 GLU CA C 13 57.350 0.2 . 1 . . . . 25 GLU CA . 7188 1 147 . 1 1 25 25 GLU CB C 13 29.190 0.2 . 1 . . . . 25 GLU CB . 7188 1 148 . 1 1 25 25 GLU N N 15 119.000 0.38 . 1 . . . . 25 GLU N . 7188 1 149 . 1 1 26 26 ASN H H 1 8.410 0.02 . 1 . . . . 26 ASN HN . 7188 1 150 . 1 1 26 26 ASN HA H 1 4.540 0.02 . 1 . . . . 26 ASN HA . 7188 1 151 . 1 1 26 26 ASN C C 13 176.720 0.2 . 1 . . . . 26 ASN C . 7188 1 152 . 1 1 26 26 ASN CA C 13 55.610 0.2 . 1 . . . . 26 ASN CA . 7188 1 153 . 1 1 26 26 ASN CB C 13 39.010 0.2 . 1 . . . . 26 ASN CB . 7188 1 154 . 1 1 26 26 ASN N N 15 119.000 0.38 . 1 . . . . 26 ASN N . 7188 1 155 . 1 1 27 27 VAL H H 1 7.250 0.02 . 1 . . . . 27 VAL HN . 7188 1 156 . 1 1 27 27 VAL HA H 1 4.190 0.02 . 1 . . . . 27 VAL HA . 7188 1 157 . 1 1 27 27 VAL C C 13 176.180 0.2 . 1 . . . . 27 VAL C . 7188 1 158 . 1 1 27 27 VAL CA C 13 62.090 0.2 . 1 . . . . 27 VAL CA . 7188 1 159 . 1 1 27 27 VAL CB C 13 31.770 0.2 . 1 . . . . 27 VAL CB . 7188 1 160 . 1 1 27 27 VAL N N 15 112.670 0.38 . 1 . . . . 27 VAL N . 7188 1 161 . 1 1 28 28 ALA H H 1 7.450 0.02 . 1 . . . . 28 ALA HN . 7188 1 162 . 1 1 28 28 ALA HA H 1 4.280 0.02 . 1 . . . . 28 ALA HA . 7188 1 163 . 1 1 28 28 ALA C C 13 177.190 0.2 . 1 . . . . 28 ALA C . 7188 1 164 . 1 1 28 28 ALA CA C 13 52.480 0.2 . 1 . . . . 28 ALA CA . 7188 1 165 . 1 1 28 28 ALA CB C 13 19.900 0.2 . 1 . . . . 28 ALA CB . 7188 1 166 . 1 1 28 28 ALA N N 15 124.460 0.38 . 1 . . . . 28 ALA N . 7188 1 167 . 1 1 29 29 ALA H H 1 8.400 0.02 . 1 . . . . 29 ALA HN . 7188 1 168 . 1 1 29 29 ALA C C 13 178.010 0.2 . 1 . . . . 29 ALA C . 7188 1 169 . 1 1 29 29 ALA CA C 13 53.920 0.2 . 1 . . . . 29 ALA CA . 7188 1 170 . 1 1 29 29 ALA CB C 13 19.200 0.2 . 1 . . . . 29 ALA CB . 7188 1 171 . 1 1 29 29 ALA N N 15 121.690 0.38 . 1 . . . . 29 ALA N . 7188 1 172 . 1 1 30 30 THR H H 1 7.970 0.02 . 1 . . . . 30 THR HN . 7188 1 173 . 1 1 30 30 THR HA H 1 4.510 0.02 . 1 . . . . 30 THR HA . 7188 1 174 . 1 1 30 30 THR C C 13 174.770 0.2 . 1 . . . . 30 THR C . 7188 1 175 . 1 1 30 30 THR CA C 13 60.220 0.2 . 1 . . . . 30 THR CA . 7188 1 176 . 1 1 30 30 THR CB C 13 70.650 0.2 . 1 . . . . 30 THR CB . 7188 1 177 . 1 1 30 30 THR N N 15 109.250 0.38 . 1 . . . . 30 THR N . 7188 1 178 . 1 1 31 31 ASP H H 1 8.500 0.02 . 1 . . . . 31 ASP HN . 7188 1 179 . 1 1 31 31 ASP HA H 1 4.630 0.02 . 1 . . . . 31 ASP HA . 7188 1 180 . 1 1 31 31 ASP C C 13 175.820 0.2 . 1 . . . . 31 ASP C . 7188 1 181 . 1 1 31 31 ASP CA C 13 54.380 0.2 . 1 . . . . 31 ASP CA . 7188 1 182 . 1 1 31 31 ASP CB C 13 40.950 0.2 . 1 . . . . 31 ASP CB . 7188 1 183 . 1 1 31 31 ASP N N 15 121.630 0.38 . 1 . . . . 31 ASP N . 7188 1 184 . 1 1 32 32 ASP H H 1 8.250 0.02 . 1 . . . . 32 ASP HN . 7188 1 185 . 1 1 32 32 ASP HA H 1 4.360 0.02 . 1 . . . . 32 ASP HA . 7188 1 186 . 1 1 32 32 ASP C C 13 177.810 0.2 . 1 . . . . 32 ASP C . 7188 1 187 . 1 1 32 32 ASP CA C 13 56.750 0.2 . 1 . . . . 32 ASP CA . 7188 1 188 . 1 1 32 32 ASP CB C 13 40.510 0.2 . 1 . . . . 32 ASP CB . 7188 1 189 . 1 1 32 32 ASP N N 15 118.700 0.38 . 1 . . . . 32 ASP N . 7188 1 190 . 1 1 33 33 VAL H H 1 7.940 0.02 . 1 . . . . 33 VAL HN . 7188 1 191 . 1 1 33 33 VAL HA H 1 3.770 0.02 . 1 . . . . 33 VAL HA . 7188 1 192 . 1 1 33 33 VAL C C 13 177.640 0.2 . 1 . . . . 33 VAL C . 7188 1 193 . 1 1 33 33 VAL CA C 13 65.120 0.2 . 1 . . . . 33 VAL CA . 7188 1 194 . 1 1 33 33 VAL CB C 13 32.020 0.2 . 1 . . . . 33 VAL CB . 7188 1 195 . 1 1 33 33 VAL N N 15 119.880 0.38 . 1 . . . . 33 VAL N . 7188 1 196 . 1 1 34 34 LEU H H 1 8.570 0.02 . 1 . . . . 34 LEU HN . 7188 1 197 . 1 1 34 34 LEU HA H 1 3.780 0.02 . 1 . . . . 34 LEU HA . 7188 1 198 . 1 1 34 34 LEU C C 13 177.640 0.2 . 1 . . . . 34 LEU C . 7188 1 199 . 1 1 34 34 LEU CA C 13 58.520 0.2 . 1 . . . . 34 LEU CA . 7188 1 200 . 1 1 34 34 LEU CB C 13 41.560 0.2 . 1 . . . . 34 LEU CB . 7188 1 201 . 1 1 34 34 LEU N N 15 122.210 0.38 . 1 . . . . 34 LEU N . 7188 1 202 . 1 1 35 35 ASP H H 1 8.290 0.02 . 1 . . . . 35 ASP HN . 7188 1 203 . 1 1 35 35 ASP HA H 1 4.300 0.02 . 1 . . . . 35 ASP HA . 7188 1 204 . 1 1 35 35 ASP C C 13 179.420 0.2 . 1 . . . . 35 ASP C . 7188 1 205 . 1 1 35 35 ASP CA C 13 57.940 0.2 . 1 . . . . 35 ASP CA . 7188 1 206 . 1 1 35 35 ASP CB C 13 40.210 0.2 . 1 . . . . 35 ASP CB . 7188 1 207 . 1 1 35 35 ASP N N 15 115.700 0.38 . 1 . . . . 35 ASP N . 7188 1 208 . 1 1 36 36 VAL H H 1 7.200 0.02 . 1 . . . . 36 VAL HN . 7188 1 209 . 1 1 36 36 VAL HA H 1 3.730 0.02 . 1 . . . . 36 VAL HA . 7188 1 210 . 1 1 36 36 VAL C C 13 179.460 0.2 . 1 . . . . 36 VAL C . 7188 1 211 . 1 1 36 36 VAL CA C 13 66.040 0.2 . 1 . . . . 36 VAL CA . 7188 1 212 . 1 1 36 36 VAL CB C 13 32.150 0.2 . 1 . . . . 36 VAL CB . 7188 1 213 . 1 1 36 36 VAL N N 15 120.170 0.38 . 1 . . . . 36 VAL N . 7188 1 214 . 1 1 37 37 LEU H H 1 8.090 0.02 . 1 . . . . 37 LEU HN . 7188 1 215 . 1 1 37 37 LEU HA H 1 3.990 0.02 . 1 . . . . 37 LEU HA . 7188 1 216 . 1 1 37 37 LEU C C 13 179.570 0.2 . 1 . . . . 37 LEU C . 7188 1 217 . 1 1 37 37 LEU CA C 13 58.130 0.2 . 1 . . . . 37 LEU CA . 7188 1 218 . 1 1 37 37 LEU CB C 13 42.330 0.2 . 1 . . . . 37 LEU CB . 7188 1 219 . 1 1 37 37 LEU N N 15 120.800 0.38 . 1 . . . . 37 LEU N . 7188 1 220 . 1 1 38 38 LEU H H 1 8.980 0.02 . 1 . . . . 38 LEU HN . 7188 1 221 . 1 1 38 38 LEU HA H 1 4.020 0.02 . 1 . . . . 38 LEU HA . 7188 1 222 . 1 1 38 38 LEU C C 13 179.290 0.2 . 1 . . . . 38 LEU C . 7188 1 223 . 1 1 38 38 LEU CA C 13 57.950 0.2 . 1 . . . . 38 LEU CA . 7188 1 224 . 1 1 38 38 LEU CB C 13 41.360 0.2 . 1 . . . . 38 LEU CB . 7188 1 225 . 1 1 38 38 LEU N N 15 118.860 0.38 . 1 . . . . 38 LEU N . 7188 1 226 . 1 1 39 39 GLU H H 1 7.900 0.02 . 1 . . . . 39 GLU HN . 7188 1 227 . 1 1 39 39 GLU HA H 1 4.030 0.02 . 1 . . . . 39 GLU HA . 7188 1 228 . 1 1 39 39 GLU C C 13 178.930 0.2 . 1 . . . . 39 GLU C . 7188 1 229 . 1 1 39 39 GLU CA C 13 59.630 0.2 . 1 . . . . 39 GLU CA . 7188 1 230 . 1 1 39 39 GLU CB C 13 29.400 0.2 . 1 . . . . 39 GLU CB . 7188 1 231 . 1 1 39 39 GLU N N 15 119.750 0.38 . 1 . . . . 39 GLU N . 7188 1 232 . 1 1 40 40 HIS H H 1 7.970 0.02 . 1 . . . . 40 HIS HN . 7188 1 233 . 1 1 40 40 HIS HA H 1 4.340 0.02 . 1 . . . . 40 HIS HA . 7188 1 234 . 1 1 40 40 HIS C C 13 175.970 0.2 . 1 . . . . 40 HIS C . 7188 1 235 . 1 1 40 40 HIS CA C 13 58.910 0.2 . 1 . . . . 40 HIS CA . 7188 1 236 . 1 1 40 40 HIS CB C 13 31.420 0.2 . 1 . . . . 40 HIS CB . 7188 1 237 . 1 1 40 40 HIS N N 15 119.400 0.38 . 1 . . . . 40 HIS N . 7188 1 238 . 1 1 41 41 PHE H H 1 8.780 0.02 . 1 . . . . 41 PHE HN . 7188 1 239 . 1 1 41 41 PHE HA H 1 3.750 0.02 . 1 . . . . 41 PHE HA . 7188 1 240 . 1 1 41 41 PHE C C 13 177.970 0.2 . 1 . . . . 41 PHE C . 7188 1 241 . 1 1 41 41 PHE CA C 13 62.680 0.2 . 1 . . . . 41 PHE CA . 7188 1 242 . 1 1 41 41 PHE CB C 13 39.610 0.2 . 1 . . . . 41 PHE CB . 7188 1 243 . 1 1 41 41 PHE N N 15 118.340 0.38 . 1 . . . . 41 PHE N . 7188 1 244 . 1 1 42 42 VAL H H 1 8.390 0.02 . 1 . . . . 42 VAL HN . 7188 1 245 . 1 1 42 42 VAL HA H 1 3.310 0.02 . 1 . . . . 42 VAL HA . 7188 1 246 . 1 1 42 42 VAL C C 13 178.270 0.2 . 1 . . . . 42 VAL C . 7188 1 247 . 1 1 42 42 VAL CA C 13 67.150 0.2 . 1 . . . . 42 VAL CA . 7188 1 248 . 1 1 42 42 VAL CB C 13 32.160 0.2 . 1 . . . . 42 VAL CB . 7188 1 249 . 1 1 42 42 VAL N N 15 120.950 0.38 . 1 . . . . 42 VAL N . 7188 1 250 . 1 1 43 43 LYS H H 1 8.040 0.02 . 1 . . . . 43 LYS HN . 7188 1 251 . 1 1 43 43 LYS CA C 13 59.440 0.2 . 1 . . . . 43 LYS CA . 7188 1 252 . 1 1 43 43 LYS CB C 13 32.880 0.2 . 1 . . . . 43 LYS CB . 7188 1 253 . 1 1 43 43 LYS N N 15 120.780 0.38 . 1 . . . . 43 LYS N . 7188 1 254 . 1 1 44 44 ILE C C 13 178.150 0.2 . 1 . . . . 44 ILE C . 7188 1 255 . 1 1 44 44 ILE CA C 13 61.900 0.2 . 1 . . . . 44 ILE CA . 7188 1 256 . 1 1 44 44 ILE CB C 13 37.400 0.2 . 1 . . . . 44 ILE CB . 7188 1 257 . 1 1 45 45 THR H H 1 7.480 0.02 . 1 . . . . 45 THR HN . 7188 1 258 . 1 1 45 45 THR C C 13 176.280 0.2 . 1 . . . . 45 THR C . 7188 1 259 . 1 1 45 45 THR CA C 13 65.630 0.2 . 1 . . . . 45 THR CA . 7188 1 260 . 1 1 45 45 THR CB C 13 69.620 0.2 . 1 . . . . 45 THR CB . 7188 1 261 . 1 1 45 45 THR N N 15 109.160 0.38 . 1 . . . . 45 THR N . 7188 1 262 . 1 1 46 46 GLU H H 1 7.230 0.02 . 1 . . . . 46 GLU HN . 7188 1 263 . 1 1 46 46 GLU HA H 1 3.780 0.02 . 1 . . . . 46 GLU HA . 7188 1 264 . 1 1 46 46 GLU C C 13 173.250 0.2 . 1 . . . . 46 GLU C . 7188 1 265 . 1 1 46 46 GLU CA C 13 57.520 0.2 . 1 . . . . 46 GLU CA . 7188 1 266 . 1 1 46 46 GLU CB C 13 28.880 0.2 . 1 . . . . 46 GLU CB . 7188 1 267 . 1 1 46 46 GLU N N 15 112.440 0.38 . 1 . . . . 46 GLU N . 7188 1 268 . 1 1 47 47 HIS H H 1 7.040 0.02 . 1 . . . . 47 HIS HN . 7188 1 269 . 1 1 47 47 HIS CA C 13 55.750 0.2 . 1 . . . . 47 HIS CA . 7188 1 270 . 1 1 47 47 HIS CB C 13 32.110 0.2 . 1 . . . . 47 HIS CB . 7188 1 271 . 1 1 47 47 HIS N N 15 119.570 0.38 . 1 . . . . 47 HIS N . 7188 1 272 . 1 1 48 48 PRO HA H 1 4.070 0.02 . 1 . . . . 48 PRO HA . 7188 1 273 . 1 1 48 48 PRO C C 13 177.790 0.2 . 1 . . . . 48 PRO C . 7188 1 274 . 1 1 48 48 PRO CA C 13 64.690 0.2 . 1 . . . . 48 PRO CA . 7188 1 275 . 1 1 48 48 PRO CB C 13 32.310 0.2 . 1 . . . . 48 PRO CB . 7188 1 276 . 1 1 49 49 ASP H H 1 10.670 0.02 . 1 . . . . 49 ASP HN . 7188 1 277 . 1 1 49 49 ASP HA H 1 4.650 0.02 . 1 . . . . 49 ASP HA . 7188 1 278 . 1 1 49 49 ASP C C 13 177.520 0.2 . 1 . . . . 49 ASP C . 7188 1 279 . 1 1 49 49 ASP CA C 13 55.250 0.2 . 1 . . . . 49 ASP CA . 7188 1 280 . 1 1 49 49 ASP CB C 13 40.570 0.2 . 1 . . . . 49 ASP CB . 7188 1 281 . 1 1 49 49 ASP N N 15 121.230 0.38 . 1 . . . . 49 ASP N . 7188 1 282 . 1 1 50 50 GLY H H 1 7.930 0.02 . 1 . . . . 50 GLY HN . 7188 1 283 . 1 1 50 50 GLY HA2 H 1 3.860 0.02 . 2 . . . . 50 GLY HA2 . 7188 1 284 . 1 1 50 50 GLY C C 13 175.400 0.2 . 1 . . . . 50 GLY C . 7188 1 285 . 1 1 50 50 GLY CA C 13 47.130 0.2 . 1 . . . . 50 GLY CA . 7188 1 286 . 1 1 50 50 GLY N N 15 107.710 0.38 . 1 . . . . 50 GLY N . 7188 1 287 . 1 1 51 51 THR H H 1 9.160 0.02 . 1 . . . . 51 THR HN . 7188 1 288 . 1 1 51 51 THR HA H 1 4.630 0.02 . 1 . . . . 51 THR HA . 7188 1 289 . 1 1 51 51 THR C C 13 176.520 0.2 . 1 . . . . 51 THR C . 7188 1 290 . 1 1 51 51 THR CA C 13 64.570 0.2 . 1 . . . . 51 THR CA . 7188 1 291 . 1 1 51 51 THR CB C 13 67.960 0.2 . 1 . . . . 51 THR CB . 7188 1 292 . 1 1 51 51 THR N N 15 114.480 0.38 . 1 . . . . 51 THR N . 7188 1 293 . 1 1 52 52 ASP H H 1 8.660 0.02 . 1 . . . . 52 ASP HN . 7188 1 294 . 1 1 52 52 ASP HA H 1 4.470 0.02 . 1 . . . . 52 ASP HA . 7188 1 295 . 1 1 52 52 ASP C C 13 177.660 0.2 . 1 . . . . 52 ASP C . 7188 1 296 . 1 1 52 52 ASP CA C 13 57.720 0.2 . 1 . . . . 52 ASP CA . 7188 1 297 . 1 1 52 52 ASP CB C 13 39.210 0.2 . 1 . . . . 52 ASP CB . 7188 1 298 . 1 1 52 52 ASP N N 15 125.960 0.38 . 1 . . . . 52 ASP N . 7188 1 299 . 1 1 53 53 LEU H H 1 7.190 0.02 . 1 . . . . 53 LEU HN . 7188 1 300 . 1 1 53 53 LEU HA H 1 3.770 0.02 . 1 . . . . 53 LEU HA . 7188 1 301 . 1 1 53 53 LEU C C 13 177.360 0.2 . 1 . . . . 53 LEU C . 7188 1 302 . 1 1 53 53 LEU CA C 13 57.470 0.2 . 1 . . . . 53 LEU CA . 7188 1 303 . 1 1 53 53 LEU CB C 13 43.590 0.2 . 1 . . . . 53 LEU CB . 7188 1 304 . 1 1 53 53 LEU N N 15 115.490 0.38 . 1 . . . . 53 LEU N . 7188 1 305 . 1 1 54 54 ILE H H 1 6.910 0.02 . 1 . . . . 54 ILE HN . 7188 1 306 . 1 1 54 54 ILE HA H 1 3.350 0.02 . 1 . . . . 54 ILE HA . 7188 1 307 . 1 1 54 54 ILE C C 13 177.280 0.2 . 1 . . . . 54 ILE C . 7188 1 308 . 1 1 54 54 ILE CA C 13 62.820 0.2 . 1 . . . . 54 ILE CA . 7188 1 309 . 1 1 54 54 ILE CB C 13 39.410 0.2 . 1 . . . . 54 ILE CB . 7188 1 310 . 1 1 54 54 ILE N N 15 113.480 0.38 . 1 . . . . 54 ILE N . 7188 1 311 . 1 1 55 55 TYR H H 1 7.080 0.02 . 1 . . . . 55 TYR HN . 7188 1 312 . 1 1 55 55 TYR HA H 1 4.000 0.02 . 1 . . . . 55 TYR HA . 7188 1 313 . 1 1 55 55 TYR C C 13 175.290 0.2 . 1 . . . . 55 TYR C . 7188 1 314 . 1 1 55 55 TYR CA C 13 60.740 0.2 . 1 . . . . 55 TYR CA . 7188 1 315 . 1 1 55 55 TYR CB C 13 40.040 0.2 . 1 . . . . 55 TYR CB . 7188 1 316 . 1 1 55 55 TYR N N 15 114.440 0.38 . 1 . . . . 55 TYR N . 7188 1 317 . 1 1 56 56 TYR H H 1 8.480 0.02 . 1 . . . . 56 TYR HN . 7188 1 318 . 1 1 56 56 TYR CA C 13 55.480 0.2 . 1 . . . . 56 TYR CA . 7188 1 319 . 1 1 56 56 TYR CB C 13 39.200 0.2 . 1 . . . . 56 TYR CB . 7188 1 320 . 1 1 56 56 TYR N N 15 118.170 0.38 . 1 . . . . 56 TYR N . 7188 1 321 . 1 1 57 57 PRO HA H 1 4.200 0.02 . 1 . . . . 57 PRO HA . 7188 1 322 . 1 1 57 57 PRO C C 13 177.310 0.2 . 1 . . . . 57 PRO C . 7188 1 323 . 1 1 57 57 PRO CA C 13 63.590 0.2 . 1 . . . . 57 PRO CA . 7188 1 324 . 1 1 57 57 PRO CB C 13 32.380 0.2 . 1 . . . . 57 PRO CB . 7188 1 325 . 1 1 58 58 SER H H 1 8.510 0.02 . 1 . . . . 58 SER HN . 7188 1 326 . 1 1 58 58 SER C C 13 174.770 0.2 . 1 . . . . 58 SER C . 7188 1 327 . 1 1 58 58 SER CA C 13 57.980 0.2 . 1 . . . . 58 SER CA . 7188 1 328 . 1 1 58 58 SER CB C 13 64.340 0.2 . 1 . . . . 58 SER CB . 7188 1 329 . 1 1 58 58 SER N N 15 116.700 0.38 . 1 . . . . 58 SER N . 7188 1 330 . 1 1 59 59 ASP H H 1 8.470 0.02 . 1 . . . . 59 ASP HN . 7188 1 331 . 1 1 59 59 ASP HA H 1 4.430 0.02 . 1 . . . . 59 ASP HA . 7188 1 332 . 1 1 59 59 ASP C C 13 176.460 0.2 . 1 . . . . 59 ASP C . 7188 1 333 . 1 1 59 59 ASP CA C 13 55.330 0.2 . 1 . . . . 59 ASP CA . 7188 1 334 . 1 1 59 59 ASP CB C 13 40.570 0.2 . 1 . . . . 59 ASP CB . 7188 1 335 . 1 1 59 59 ASP N N 15 121.550 0.38 . 1 . . . . 59 ASP N . 7188 1 336 . 1 1 60 60 ASN H H 1 8.240 0.02 . 1 . . . . 60 ASN HN . 7188 1 337 . 1 1 60 60 ASN HA H 1 4.550 0.02 . 1 . . . . 60 ASN HA . 7188 1 338 . 1 1 60 60 ASN C C 13 174.140 0.2 . 1 . . . . 60 ASN C . 7188 1 339 . 1 1 60 60 ASN CA C 13 53.430 0.2 . 1 . . . . 60 ASN CA . 7188 1 340 . 1 1 60 60 ASN CB C 13 38.490 0.2 . 1 . . . . 60 ASN CB . 7188 1 341 . 1 1 60 60 ASN N N 15 115.440 0.38 . 1 . . . . 60 ASN N . 7188 1 342 . 1 1 61 61 ARG H H 1 7.520 0.02 . 1 . . . . 61 ARG HN . 7188 1 343 . 1 1 61 61 ARG C C 13 174.910 0.2 . 1 . . . . 61 ARG C . 7188 1 344 . 1 1 61 61 ARG CA C 13 54.840 0.2 . 1 . . . . 61 ARG CA . 7188 1 345 . 1 1 61 61 ARG CB C 13 31.750 0.2 . 1 . . . . 61 ARG CB . 7188 1 346 . 1 1 61 61 ARG N N 15 116.970 0.38 . 1 . . . . 61 ARG N . 7188 1 347 . 1 1 62 62 ASP H H 1 8.470 0.02 . 1 . . . . 62 ASP HN . 7188 1 348 . 1 1 62 62 ASP HA H 1 4.440 0.02 . 1 . . . . 62 ASP HA . 7188 1 349 . 1 1 62 62 ASP C C 13 175.870 0.2 . 1 . . . . 62 ASP C . 7188 1 350 . 1 1 62 62 ASP CA C 13 54.670 0.2 . 1 . . . . 62 ASP CA . 7188 1 351 . 1 1 62 62 ASP CB C 13 41.370 0.2 . 1 . . . . 62 ASP CB . 7188 1 352 . 1 1 62 62 ASP N N 15 121.110 0.38 . 1 . . . . 62 ASP N . 7188 1 353 . 1 1 63 63 ASP H H 1 8.550 0.02 . 1 . . . . 63 ASP HN . 7188 1 354 . 1 1 63 63 ASP HA H 1 4.470 0.02 . 1 . . . . 63 ASP HA . 7188 1 355 . 1 1 63 63 ASP C C 13 174.520 0.2 . 1 . . . . 63 ASP C . 7188 1 356 . 1 1 63 63 ASP CA C 13 52.760 0.2 . 1 . . . . 63 ASP CA . 7188 1 357 . 1 1 63 63 ASP CB C 13 39.200 0.2 . 1 . . . . 63 ASP CB . 7188 1 358 . 1 1 63 63 ASP N N 15 123.850 0.38 . 1 . . . . 63 ASP N . 7188 1 359 . 1 1 64 64 SER H H 1 7.880 0.02 . 1 . . . . 64 SER HN . 7188 1 360 . 1 1 64 64 SER CA C 13 56.460 0.2 . 1 . . . . 64 SER CA . 7188 1 361 . 1 1 64 64 SER CB C 13 63.690 0.2 . 1 . . . . 64 SER CB . 7188 1 362 . 1 1 64 64 SER N N 15 117.180 0.38 . 1 . . . . 64 SER N . 7188 1 363 . 1 1 65 65 PRO HA H 1 4.130 0.02 . 1 . . . . 65 PRO HA . 7188 1 364 . 1 1 65 65 PRO C C 13 177.710 0.2 . 1 . . . . 65 PRO C . 7188 1 365 . 1 1 65 65 PRO CA C 13 65.840 0.2 . 1 . . . . 65 PRO CA . 7188 1 366 . 1 1 65 65 PRO CB C 13 32.790 0.2 . 1 . . . . 65 PRO CB . 7188 1 367 . 1 1 66 66 GLU H H 1 8.940 0.02 . 1 . . . . 66 GLU HN . 7188 1 368 . 1 1 66 66 GLU HA H 1 3.710 0.02 . 1 . . . . 66 GLU HA . 7188 1 369 . 1 1 66 66 GLU C C 13 179.640 0.2 . 1 . . . . 66 GLU C . 7188 1 370 . 1 1 66 66 GLU CA C 13 61.260 0.2 . 1 . . . . 66 GLU CA . 7188 1 371 . 1 1 66 66 GLU CB C 13 28.410 0.2 . 1 . . . . 66 GLU CB . 7188 1 372 . 1 1 66 66 GLU N N 15 115.890 0.38 . 1 . . . . 66 GLU N . 7188 1 373 . 1 1 67 67 GLY H H 1 8.410 0.02 . 1 . . . . 67 GLY HN . 7188 1 374 . 1 1 67 67 GLY HA2 H 1 3.980 0.02 . 2 . . . . 67 GLY HA2 . 7188 1 375 . 1 1 67 67 GLY C C 13 176.490 0.2 . 1 . . . . 67 GLY C . 7188 1 376 . 1 1 67 67 GLY CA C 13 46.830 0.2 . 1 . . . . 67 GLY CA . 7188 1 377 . 1 1 67 67 GLY N N 15 111.840 0.38 . 1 . . . . 67 GLY N . 7188 1 378 . 1 1 68 68 ILE H H 1 8.190 0.02 . 1 . . . . 68 ILE HN . 7188 1 379 . 1 1 68 68 ILE HA H 1 3.580 0.02 . 1 . . . . 68 ILE HA . 7188 1 380 . 1 1 68 68 ILE C C 13 178.140 0.2 . 1 . . . . 68 ILE C . 7188 1 381 . 1 1 68 68 ILE CA C 13 66.110 0.2 . 1 . . . . 68 ILE CA . 7188 1 382 . 1 1 68 68 ILE CB C 13 38.010 0.2 . 1 . . . . 68 ILE CB . 7188 1 383 . 1 1 68 68 ILE N N 15 124.200 0.38 . 1 . . . . 68 ILE N . 7188 1 384 . 1 1 69 69 VAL H H 1 8.250 0.02 . 1 . . . . 69 VAL HN . 7188 1 385 . 1 1 69 69 VAL HA H 1 3.500 0.02 . 1 . . . . 69 VAL HA . 7188 1 386 . 1 1 69 69 VAL C C 13 177.000 0.2 . 1 . . . . 69 VAL C . 7188 1 387 . 1 1 69 69 VAL CA C 13 68.200 0.2 . 1 . . . . 69 VAL CA . 7188 1 388 . 1 1 69 69 VAL CB C 13 31.560 0.2 . 1 . . . . 69 VAL CB . 7188 1 389 . 1 1 69 69 VAL N N 15 118.870 0.38 . 1 . . . . 69 VAL N . 7188 1 390 . 1 1 70 70 LYS H H 1 7.910 0.02 . 1 . . . . 70 LYS HN . 7188 1 391 . 1 1 70 70 LYS HA H 1 3.950 0.02 . 1 . . . . 70 LYS HA . 7188 1 392 . 1 1 70 70 LYS C C 13 178.010 0.2 . 1 . . . . 70 LYS C . 7188 1 393 . 1 1 70 70 LYS CA C 13 60.360 0.2 . 1 . . . . 70 LYS CA . 7188 1 394 . 1 1 70 70 LYS CB C 13 32.600 0.2 . 1 . . . . 70 LYS CB . 7188 1 395 . 1 1 70 70 LYS N N 15 120.030 0.38 . 1 . . . . 70 LYS N . 7188 1 396 . 1 1 71 71 GLU H H 1 7.690 0.02 . 1 . . . . 71 GLU HN . 7188 1 397 . 1 1 71 71 GLU HA H 1 3.920 0.02 . 1 . . . . 71 GLU HA . 7188 1 398 . 1 1 71 71 GLU C C 13 179.500 0.2 . 1 . . . . 71 GLU C . 7188 1 399 . 1 1 71 71 GLU CA C 13 59.690 0.2 . 1 . . . . 71 GLU CA . 7188 1 400 . 1 1 71 71 GLU CB C 13 28.720 0.2 . 1 . . . . 71 GLU CB . 7188 1 401 . 1 1 71 71 GLU N N 15 119.040 0.38 . 1 . . . . 71 GLU N . 7188 1 402 . 1 1 72 72 ILE H H 1 8.490 0.02 . 1 . . . . 72 ILE HN . 7188 1 403 . 1 1 72 72 ILE HA H 1 3.680 0.02 . 1 . . . . 72 ILE HA . 7188 1 404 . 1 1 72 72 ILE C C 13 177.570 0.2 . 1 . . . . 72 ILE C . 7188 1 405 . 1 1 72 72 ILE CA C 13 65.700 0.2 . 1 . . . . 72 ILE CA . 7188 1 406 . 1 1 72 72 ILE CB C 13 37.990 0.2 . 1 . . . . 72 ILE CB . 7188 1 407 . 1 1 72 72 ILE N N 15 118.970 0.38 . 1 . . . . 72 ILE N . 7188 1 408 . 1 1 73 73 LYS H H 1 9.160 0.02 . 1 . . . . 73 LYS HN . 7188 1 409 . 1 1 73 73 LYS HA H 1 4.210 0.02 . 1 . . . . 73 LYS HA . 7188 1 410 . 1 1 73 73 LYS C C 13 180.270 0.2 . 1 . . . . 73 LYS C . 7188 1 411 . 1 1 73 73 LYS CA C 13 59.890 0.2 . 1 . . . . 73 LYS CA . 7188 1 412 . 1 1 73 73 LYS CB C 13 33.160 0.2 . 1 . . . . 73 LYS CB . 7188 1 413 . 1 1 73 73 LYS N N 15 119.900 0.38 . 1 . . . . 73 LYS N . 7188 1 414 . 1 1 74 74 GLU H H 1 8.490 0.02 . 1 . . . . 74 GLU HN . 7188 1 415 . 1 1 74 74 GLU HA H 1 4.020 0.02 . 1 . . . . 74 GLU HA . 7188 1 416 . 1 1 74 74 GLU C C 13 179.200 0.2 . 1 . . . . 74 GLU C . 7188 1 417 . 1 1 74 74 GLU CA C 13 59.490 0.2 . 1 . . . . 74 GLU CA . 7188 1 418 . 1 1 74 74 GLU CB C 13 29.440 0.2 . 1 . . . . 74 GLU CB . 7188 1 419 . 1 1 74 74 GLU N N 15 119.180 0.38 . 1 . . . . 74 GLU N . 7188 1 420 . 1 1 75 75 TRP H H 1 8.770 0.02 . 1 . . . . 75 TRP HN . 7188 1 421 . 1 1 75 75 TRP HA H 1 4.130 0.02 . 1 . . . . 75 TRP HA . 7188 1 422 . 1 1 75 75 TRP C C 13 179.860 0.2 . 1 . . . . 75 TRP C . 7188 1 423 . 1 1 75 75 TRP CA C 13 63.050 0.2 . 1 . . . . 75 TRP CA . 7188 1 424 . 1 1 75 75 TRP CB C 13 29.270 0.2 . 1 . . . . 75 TRP CB . 7188 1 425 . 1 1 75 75 TRP N N 15 122.590 0.38 . 1 . . . . 75 TRP N . 7188 1 426 . 1 1 76 76 ARG H H 1 9.090 0.02 . 1 . . . . 76 ARG HN . 7188 1 427 . 1 1 76 76 ARG C C 13 178.080 0.2 . 1 . . . . 76 ARG C . 7188 1 428 . 1 1 76 76 ARG CA C 13 60.820 0.2 . 1 . . . . 76 ARG CA . 7188 1 429 . 1 1 76 76 ARG CB C 13 28.500 0.2 . 1 . . . . 76 ARG CB . 7188 1 430 . 1 1 76 76 ARG N N 15 118.520 0.38 . 1 . . . . 76 ARG N . 7188 1 431 . 1 1 77 77 ALA H H 1 7.710 0.02 . 1 . . . . 77 ALA HN . 7188 1 432 . 1 1 77 77 ALA C C 13 181.410 0.2 . 1 . . . . 77 ALA C . 7188 1 433 . 1 1 77 77 ALA CA C 13 55.160 0.2 . 1 . . . . 77 ALA CA . 7188 1 434 . 1 1 77 77 ALA CB C 13 17.960 0.2 . 1 . . . . 77 ALA CB . 7188 1 435 . 1 1 77 77 ALA N N 15 120.240 0.38 . 1 . . . . 77 ALA N . 7188 1 436 . 1 1 78 78 ALA H H 1 7.880 0.02 . 1 . . . . 78 ALA HN . 7188 1 437 . 1 1 78 78 ALA C C 13 178.250 0.2 . 1 . . . . 78 ALA C . 7188 1 438 . 1 1 78 78 ALA CA C 13 54.100 0.2 . 1 . . . . 78 ALA CA . 7188 1 439 . 1 1 78 78 ALA CB C 13 18.110 0.2 . 1 . . . . 78 ALA CB . 7188 1 440 . 1 1 78 78 ALA N N 15 120.560 0.38 . 1 . . . . 78 ALA N . 7188 1 441 . 1 1 79 79 ASN H H 1 6.960 0.02 . 1 . . . . 79 ASN HN . 7188 1 442 . 1 1 79 79 ASN HA H 1 4.410 0.02 . 1 . . . . 79 ASN HA . 7188 1 443 . 1 1 79 79 ASN C C 13 174.020 0.2 . 1 . . . . 79 ASN C . 7188 1 444 . 1 1 79 79 ASN CA C 13 53.150 0.2 . 1 . . . . 79 ASN CA . 7188 1 445 . 1 1 79 79 ASN CB C 13 39.170 0.2 . 1 . . . . 79 ASN CB . 7188 1 446 . 1 1 79 79 ASN N N 15 113.400 0.38 . 1 . . . . 79 ASN N . 7188 1 447 . 1 1 80 80 GLY H H 1 7.480 0.02 . 1 . . . . 80 GLY HN . 7188 1 448 . 1 1 80 80 GLY C C 13 174.430 0.2 . 1 . . . . 80 GLY C . 7188 1 449 . 1 1 80 80 GLY CA C 13 47.110 0.2 . 1 . . . . 80 GLY CA . 7188 1 450 . 1 1 80 80 GLY N N 15 108.190 0.38 . 1 . . . . 80 GLY N . 7188 1 451 . 1 1 81 81 LYS H H 1 8.000 0.02 . 1 . . . . 81 LYS HN . 7188 1 452 . 1 1 81 81 LYS CA C 13 53.280 0.2 . 1 . . . . 81 LYS CA . 7188 1 453 . 1 1 81 81 LYS CB C 13 32.640 0.2 . 1 . . . . 81 LYS CB . 7188 1 454 . 1 1 81 81 LYS N N 15 119.240 0.38 . 1 . . . . 81 LYS N . 7188 1 455 . 1 1 82 82 PRO HA H 1 4.200 0.02 . 1 . . . . 82 PRO HA . 7188 1 456 . 1 1 82 82 PRO C C 13 176.650 0.2 . 1 . . . . 82 PRO C . 7188 1 457 . 1 1 82 82 PRO CA C 13 63.350 0.2 . 1 . . . . 82 PRO CA . 7188 1 458 . 1 1 82 82 PRO CB C 13 32.780 0.2 . 1 . . . . 82 PRO CB . 7188 1 459 . 1 1 83 83 GLY H H 1 8.320 0.02 . 1 . . . . 83 GLY HN . 7188 1 460 . 1 1 83 83 GLY HA2 H 1 3.790 0.02 . 2 . . . . 83 GLY HA2 . 7188 1 461 . 1 1 83 83 GLY C C 13 173.370 0.2 . 1 . . . . 83 GLY C . 7188 1 462 . 1 1 83 83 GLY CA C 13 43.210 0.2 . 1 . . . . 83 GLY CA . 7188 1 463 . 1 1 83 83 GLY N N 15 110.590 0.38 . 1 . . . . 83 GLY N . 7188 1 464 . 1 1 84 84 PHE H H 1 7.810 0.02 . 1 . . . . 84 PHE HN . 7188 1 465 . 1 1 84 84 PHE HA H 1 4.450 0.02 . 1 . . . . 84 PHE HA . 7188 1 466 . 1 1 84 84 PHE C C 13 176.950 0.2 . 1 . . . . 84 PHE C . 7188 1 467 . 1 1 84 84 PHE CA C 13 59.080 0.2 . 1 . . . . 84 PHE CA . 7188 1 468 . 1 1 84 84 PHE CB C 13 39.780 0.2 . 1 . . . . 84 PHE CB . 7188 1 469 . 1 1 84 84 PHE N N 15 116.270 0.38 . 1 . . . . 84 PHE N . 7188 1 470 . 1 1 85 85 LYS H H 1 8.510 0.02 . 1 . . . . 85 LYS HN . 7188 1 471 . 1 1 85 85 LYS HA H 1 4.090 0.02 . 1 . . . . 85 LYS HA . 7188 1 472 . 1 1 85 85 LYS C C 13 176.500 0.2 . 1 . . . . 85 LYS C . 7188 1 473 . 1 1 85 85 LYS CA C 13 57.230 0.2 . 1 . . . . 85 LYS CA . 7188 1 474 . 1 1 85 85 LYS CB C 13 32.710 0.2 . 1 . . . . 85 LYS CB . 7188 1 475 . 1 1 85 85 LYS N N 15 123.950 0.38 . 1 . . . . 85 LYS N . 7188 1 476 . 1 1 86 86 GLN H H 1 8.610 0.02 . 1 . . . . 86 GLN HN . 7188 1 477 . 1 1 86 86 GLN HA H 1 4.220 0.02 . 1 . . . . 86 GLN HA . 7188 1 478 . 1 1 86 86 GLN C C 13 175.260 0.2 . 1 . . . . 86 GLN C . 7188 1 479 . 1 1 86 86 GLN CA C 13 56.360 0.2 . 1 . . . . 86 GLN CA . 7188 1 480 . 1 1 86 86 GLN CB C 13 29.570 0.2 . 1 . . . . 86 GLN CB . 7188 1 481 . 1 1 86 86 GLN N N 15 125.310 0.38 . 1 . . . . 86 GLN N . 7188 1 482 . 1 1 87 87 GLY H H 1 8.010 0.02 . 1 . . . . 87 GLY HN . 7188 1 483 . 1 1 87 87 GLY CA C 13 46.160 0.2 . 1 . . . . 87 GLY CA . 7188 1 484 . 1 1 87 87 GLY N N 15 116.760 0.38 . 1 . . . . 87 GLY N . 7188 1 stop_ save_ ################################### # 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 7188 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _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 'Im7 in 6M Urea' _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 . '2D 15N-1H HSQC' 2 $sample_2 isotropic 7188 2 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 MET C C 13 172.419 0.2 . 1 . . . . 1 MET C . 7188 2 2 . 1 1 1 1 MET CA C 13 54.829 0.2 . 1 . . . . 1 MET CA . 7188 2 3 . 1 1 1 1 MET CB C 13 32.894 0.2 . 1 . . . . 1 MET CB . 7188 2 4 . 1 1 2 2 GLU C C 13 175.777 0.2 . 1 . . . . 2 GLU C . 7188 2 5 . 1 1 2 2 GLU CA C 13 55.912 0.2 . 1 . . . . 2 GLU CA . 7188 2 6 . 1 1 2 2 GLU CB C 13 30.371 0.2 . 1 . . . . 2 GLU CB . 7188 2 7 . 1 1 3 3 LEU C C 13 177.186 0.2 . 1 . . . . 3 LEU C . 7188 2 8 . 1 1 3 3 LEU CA C 13 54.806 0.2 . 1 . . . . 3 LEU CA . 7188 2 9 . 1 1 3 3 LEU CB C 13 42.149 0.2 . 1 . . . . 3 LEU CB . 7188 2 10 . 1 1 4 4 LYS C C 13 176.261 0.2 . 1 . . . . 4 LYS C . 7188 2 11 . 1 1 4 4 LYS CA C 13 56.074 0.2 . 1 . . . . 4 LYS CA . 7188 2 12 . 1 1 4 4 LYS CB C 13 33.076 0.2 . 1 . . . . 4 LYS CB . 7188 2 13 . 1 1 5 5 ASN C C 13 175.182 0.2 . 1 . . . . 5 ASN C . 7188 2 14 . 1 1 5 5 ASN CA C 13 53.013 0.2 . 1 . . . . 5 ASN CA . 7188 2 15 . 1 1 5 5 ASN CB C 13 38.906 0.2 . 1 . . . . 5 ASN CB . 7188 2 16 . 1 1 6 6 SER C C 13 174.467 0.2 . 1 . . . . 6 SER C . 7188 2 17 . 1 1 6 6 SER CA C 13 58.138 0.2 . 1 . . . . 6 SER CA . 7188 2 18 . 1 1 6 6 SER CB C 13 63.762 0.2 . 1 . . . . 6 SER CB . 7188 2 19 . 1 1 7 7 ILE C C 13 176.294 0.2 . 1 . . . . 7 ILE C . 7188 2 20 . 1 1 7 7 ILE CA C 13 61.161 0.2 . 1 . . . . 7 ILE CA . 7188 2 21 . 1 1 7 7 ILE CB C 13 38.682 0.2 . 1 . . . . 7 ILE CB . 7188 2 22 . 1 1 8 8 SER C C 13 174.048 0.2 . 1 . . . . 8 SER C . 7188 2 23 . 1 1 8 8 SER CA C 13 58.113 0.2 . 1 . . . . 8 SER CA . 7188 2 24 . 1 1 8 8 SER CB C 13 63.747 0.2 . 1 . . . . 8 SER CB . 7188 2 25 . 1 1 9 9 ASP C C 13 175.766 0.2 . 1 . . . . 9 ASP C . 7188 2 26 . 1 1 9 9 ASP CA C 13 54.159 0.2 . 1 . . . . 9 ASP CA . 7188 2 27 . 1 1 9 9 ASP CB C 13 41.059 0.2 . 1 . . . . 9 ASP CB . 7188 2 28 . 1 1 10 10 TYR C C 13 175.931 0.2 . 1 . . . . 10 TYR C . 7188 2 29 . 1 1 10 10 TYR CA C 13 57.831 0.2 . 1 . . . . 10 TYR CA . 7188 2 30 . 1 1 10 10 TYR CB C 13 38.740 0.2 . 1 . . . . 10 TYR CB . 7188 2 31 . 1 1 11 11 THR C C 13 174.169 0.2 . 1 . . . . 11 THR C . 7188 2 32 . 1 1 11 11 THR CA C 13 61.428 0.2 . 1 . . . . 11 THR CA . 7188 2 33 . 1 1 11 11 THR CB C 13 69.859 0.2 . 1 . . . . 11 THR CB . 7188 2 34 . 1 1 12 12 GLU C C 13 176.305 0.2 . 1 . . . . 12 GLU C . 7188 2 35 . 1 1 12 12 GLU CA C 13 56.614 0.2 . 1 . . . . 12 GLU CA . 7188 2 36 . 1 1 12 12 GLU CB C 13 29.997 0.2 . 1 . . . . 12 GLU CB . 7188 2 37 . 1 1 13 13 ALA C C 13 177.836 0.2 . 1 . . . . 13 ALA C . 7188 2 38 . 1 1 13 13 ALA CA C 13 52.744 0.2 . 1 . . . . 13 ALA CA . 7188 2 39 . 1 1 13 13 ALA CB C 13 19.052 0.2 . 1 . . . . 13 ALA CB . 7188 2 40 . 1 1 14 14 GLU C C 13 176.349 0.2 . 1 . . . . 14 GLU C . 7188 2 41 . 1 1 14 14 GLU CA C 13 56.602 0.2 . 1 . . . . 14 GLU CA . 7188 2 42 . 1 1 14 14 GLU CB C 13 30.353 0.2 . 1 . . . . 14 GLU CB . 7188 2 43 . 1 1 15 15 PHE C C 13 175.491 0.2 . 1 . . . . 15 PHE C . 7188 2 44 . 1 1 15 15 PHE CA C 13 57.796 0.2 . 1 . . . . 15 PHE CA . 7188 2 45 . 1 1 15 15 PHE CB C 13 39.323 0.2 . 1 . . . . 15 PHE CB . 7188 2 46 . 1 1 16 16 VAL CA C 13 62.318 0.2 . 1 . . . . 16 VAL CA . 7188 2 47 . 1 1 16 16 VAL CB C 13 32.762 0.2 . 1 . . . . 16 VAL CB . 7188 2 48 . 1 1 17 17 GLN C C 13 175.744 0.2 . 1 . . . . 17 GLN C . 7188 2 49 . 1 1 17 17 GLN CA C 13 55.892 0.2 . 1 . . . . 17 GLN CA . 7188 2 50 . 1 1 17 17 GLN CB C 13 29.242 0.2 . 1 . . . . 17 GLN CB . 7188 2 51 . 1 1 18 18 LEU C C 13 177.164 0.2 . 1 . . . . 18 LEU C . 7188 2 52 . 1 1 18 18 LEU CA C 13 54.969 0.2 . 1 . . . . 18 LEU CA . 7188 2 53 . 1 1 18 18 LEU CB C 13 42.072 0.2 . 1 . . . . 18 LEU CB . 7188 2 54 . 1 1 19 19 LEU CA C 13 54.897 0.2 . 1 . . . . 19 LEU CA . 7188 2 55 . 1 1 19 19 LEU CB C 13 42.071 0.2 . 1 . . . . 19 LEU CB . 7188 2 56 . 1 1 20 20 LYS CA C 13 55.989 0.2 . 1 . . . . 20 LYS CA . 7188 2 57 . 1 1 20 20 LYS CB C 13 33.017 0.2 . 1 . . . . 20 LYS CB . 7188 2 58 . 1 1 21 21 GLU C C 13 174.213 0.2 . 1 . . . . 21 GLU C . 7188 2 59 . 1 1 21 21 GLU CA C 13 56.325 0.2 . 1 . . . . 21 GLU CA . 7188 2 60 . 1 1 21 21 GLU CB C 13 30.074 0.2 . 1 . . . . 21 GLU CB . 7188 2 61 . 1 1 22 22 ILE C C 13 176.283 0.2 . 1 . . . . 22 ILE C . 7188 2 62 . 1 1 22 22 ILE CA C 13 61.200 0.2 . 1 . . . . 22 ILE CA . 7188 2 63 . 1 1 22 22 ILE CB C 13 38.487 0.2 . 1 . . . . 22 ILE CB . 7188 2 64 . 1 1 23 23 GLU CA C 13 56.448 0.2 . 1 . . . . 23 GLU CA . 7188 2 65 . 1 1 23 23 GLU CB C 13 30.078 0.2 . 1 . . . . 23 GLU CB . 7188 2 66 . 1 1 24 24 LYS CA C 13 56.242 0.2 . 1 . . . . 24 LYS CA . 7188 2 67 . 1 1 24 24 LYS CB C 13 33.117 0.2 . 1 . . . . 24 LYS CB . 7188 2 68 . 1 1 25 25 GLU C C 13 176.151 0.2 . 1 . . . . 25 GLU C . 7188 2 69 . 1 1 25 25 GLU CA C 13 56.203 0.2 . 1 . . . . 25 GLU CA . 7188 2 70 . 1 1 25 25 GLU CB C 13 30.283 0.2 . 1 . . . . 25 GLU CB . 7188 2 71 . 1 1 26 26 ASN C C 13 175.028 0.2 . 1 . . . . 26 ASN C . 7188 2 72 . 1 1 26 26 ASN CA C 13 52.966 0.2 . 1 . . . . 26 ASN CA . 7188 2 73 . 1 1 26 26 ASN CB C 13 38.699 0.2 . 1 . . . . 26 ASN CB . 7188 2 74 . 1 1 27 27 VAL C C 13 175.667 0.2 . 1 . . . . 27 VAL C . 7188 2 75 . 1 1 27 27 VAL CA C 13 61.810 0.2 . 1 . . . . 27 VAL CA . 7188 2 76 . 1 1 27 27 VAL CB C 13 32.603 0.2 . 1 . . . . 27 VAL CB . 7188 2 77 . 1 1 28 28 ALA C C 13 177.351 0.2 . 1 . . . . 28 ALA C . 7188 2 78 . 1 1 28 28 ALA CA C 13 52.083 0.2 . 1 . . . . 28 ALA CA . 7188 2 79 . 1 1 28 28 ALA CB C 13 19.080 0.2 . 1 . . . . 28 ALA CB . 7188 2 80 . 1 1 29 29 ALA C C 13 177.891 0.2 . 1 . . . . 29 ALA C . 7188 2 81 . 1 1 29 29 ALA CA C 13 52.270 0.2 . 1 . . . . 29 ALA CA . 7188 2 82 . 1 1 29 29 ALA CB C 13 19.063 0.2 . 1 . . . . 29 ALA CB . 7188 2 83 . 1 1 30 30 THR C C 13 174.313 0.2 . 1 . . . . 30 THR C . 7188 2 84 . 1 1 30 30 THR CA C 13 61.247 0.2 . 1 . . . . 30 THR CA . 7188 2 85 . 1 1 30 30 THR CB C 13 69.679 0.2 . 1 . . . . 30 THR CB . 7188 2 86 . 1 1 31 31 ASP CA C 13 54.114 0.2 . 1 . . . . 31 ASP CA . 7188 2 87 . 1 1 31 31 ASP CB C 13 40.930 0.2 . 1 . . . . 31 ASP CB . 7188 2 88 . 1 1 32 32 ASP C C 13 176.107 0.2 . 1 . . . . 32 ASP C . 7188 2 89 . 1 1 32 32 ASP CA C 13 54.230 0.2 . 1 . . . . 32 ASP CA . 7188 2 90 . 1 1 32 32 ASP CB C 13 41.074 0.2 . 1 . . . . 32 ASP CB . 7188 2 91 . 1 1 33 33 VAL C C 13 176.030 0.2 . 1 . . . . 33 VAL C . 7188 2 92 . 1 1 33 33 VAL CA C 13 62.267 0.2 . 1 . . . . 33 VAL CA . 7188 2 93 . 1 1 33 33 VAL CB C 13 32.490 0.2 . 1 . . . . 33 VAL CB . 7188 2 94 . 1 1 34 34 LEU C C 13 177.010 0.2 . 1 . . . . 34 LEU C . 7188 2 95 . 1 1 34 34 LEU CA C 13 54.825 0.2 . 1 . . . . 34 LEU CA . 7188 2 96 . 1 1 34 34 LEU CB C 13 42.123 0.2 . 1 . . . . 34 LEU CB . 7188 2 97 . 1 1 35 35 ASP C C 13 176.272 0.2 . 1 . . . . 35 ASP C . 7188 2 98 . 1 1 35 35 ASP CA C 13 54.185 0.2 . 1 . . . . 35 ASP CA . 7188 2 99 . 1 1 35 35 ASP CB C 13 40.938 0.2 . 1 . . . . 35 ASP CB . 7188 2 100 . 1 1 36 36 VAL C C 13 176.272 0.2 . 1 . . . . 36 VAL C . 7188 2 101 . 1 1 36 36 VAL CA C 13 62.231 0.2 . 1 . . . . 36 VAL CA . 7188 2 102 . 1 1 36 36 VAL CB C 13 32.505 0.2 . 1 . . . . 36 VAL CB . 7188 2 103 . 1 1 37 37 LEU CA C 13 55.033 0.2 . 1 . . . . 37 LEU CA . 7188 2 104 . 1 1 37 37 LEU CB C 13 42.029 0.2 . 1 . . . . 37 LEU CB . 7188 2 105 . 1 1 38 38 LEU C C 13 177.219 0.2 . 1 . . . . 38 LEU C . 7188 2 106 . 1 1 38 38 LEU CA C 13 54.855 0.2 . 1 . . . . 38 LEU CA . 7188 2 107 . 1 1 38 38 LEU CB C 13 42.244 0.2 . 1 . . . . 38 LEU CB . 7188 2 108 . 1 1 39 39 GLU C C 13 176.063 0.2 . 1 . . . . 39 GLU C . 7188 2 109 . 1 1 39 39 GLU CA C 13 56.282 0.2 . 1 . . . . 39 GLU CA . 7188 2 110 . 1 1 39 39 GLU CB C 13 30.315 0.2 . 1 . . . . 39 GLU CB . 7188 2 111 . 1 1 40 40 HIS C C 13 176.559 0.2 . 1 . . . . 40 HIS C . 7188 2 112 . 1 1 40 40 HIS CA C 13 55.137 0.2 . 1 . . . . 40 HIS CA . 7188 2 113 . 1 1 40 40 HIS CB C 13 39.612 0.2 . 1 . . . . 40 HIS CB . 7188 2 114 . 1 1 41 41 PHE C C 13 175.226 0.2 . 1 . . . . 41 PHE C . 7188 2 115 . 1 1 41 41 PHE CA C 13 57.429 0.2 . 1 . . . . 41 PHE CA . 7188 2 116 . 1 1 41 41 PHE CB C 13 32.886 0.2 . 1 . . . . 41 PHE CB . 7188 2 117 . 1 1 42 42 VAL C C 13 175.303 0.2 . 1 . . . . 42 VAL C . 7188 2 118 . 1 1 42 42 VAL CA C 13 61.868 0.2 . 1 . . . . 42 VAL CA . 7188 2 119 . 1 1 42 42 VAL CB C 13 33.047 0.2 . 1 . . . . 42 VAL CB . 7188 2 120 . 1 1 43 43 LYS C C 13 176.228 0.2 . 1 . . . . 43 LYS C . 7188 2 121 . 1 1 43 43 LYS CA C 13 55.972 0.2 . 1 . . . . 43 LYS CA . 7188 2 122 . 1 1 43 43 LYS CB C 13 38.532 0.2 . 1 . . . . 43 LYS CB . 7188 2 123 . 1 1 44 44 ILE C C 13 176.261 0.2 . 1 . . . . 44 ILE C . 7188 2 124 . 1 1 44 44 ILE CA C 13 60.760 0.2 . 1 . . . . 44 ILE CA . 7188 2 125 . 1 1 44 44 ILE CB C 13 69.565 0.2 . 1 . . . . 44 ILE CB . 7188 2 126 . 1 1 45 45 THR C C 13 174.114 0.2 . 1 . . . . 45 THR C . 7188 2 127 . 1 1 45 45 THR CA C 13 61.313 0.2 . 1 . . . . 45 THR CA . 7188 2 128 . 1 1 45 45 THR CB C 13 30.392 0.2 . 1 . . . . 45 THR CB . 7188 2 129 . 1 1 46 46 GLU C C 13 175.744 0.2 . 1 . . . . 46 GLU C . 7188 2 130 . 1 1 46 46 GLU CA C 13 56.321 0.2 . 1 . . . . 46 GLU CA . 7188 2 131 . 1 1 47 47 HIS CA C 13 53.478 0.2 . 1 . . . . 47 HIS CA . 7188 2 132 . 1 1 47 47 HIS CB C 13 31.943 0.2 . 1 . . . . 47 HIS CB . 7188 2 133 . 1 1 48 48 PRO C C 13 176.702 0.2 . 1 . . . . 48 PRO C . 7188 2 134 . 1 1 48 48 PRO CA C 13 63.183 0.2 . 1 . . . . 48 PRO CA . 7188 2 135 . 1 1 48 48 PRO CB C 13 29.427 0.2 . 1 . . . . 48 PRO CB . 7188 2 136 . 1 1 49 49 ASP CA C 13 54.198 0.2 . 1 . . . . 49 ASP CA . 7188 2 137 . 1 1 49 49 ASP CB C 13 41.135 0.2 . 1 . . . . 49 ASP CB . 7188 2 138 . 1 1 50 50 GLY C C 13 174.511 0.2 . 1 . . . . 50 GLY C . 7188 2 139 . 1 1 50 50 GLY CA C 13 45.351 0.2 . 1 . . . . 50 GLY CA . 7188 2 140 . 1 1 51 51 THR CA C 13 61.855 0.2 . 1 . . . . 51 THR CA . 7188 2 141 . 1 1 51 51 THR CB C 13 69.757 0.2 . 1 . . . . 51 THR CB . 7188 2 142 . 1 1 52 52 ASP C C 13 175.843 0.2 . 1 . . . . 52 ASP C . 7188 2 143 . 1 1 52 52 ASP CA C 13 54.152 0.2 . 1 . . . . 52 ASP CA . 7188 2 144 . 1 1 52 52 ASP CB C 13 40.929 0.2 . 1 . . . . 52 ASP CB . 7188 2 145 . 1 1 53 53 LEU C C 13 176.702 0.2 . 1 . . . . 53 LEU C . 7188 2 146 . 1 1 53 53 LEU CA C 13 54.963 0.2 . 1 . . . . 53 LEU CA . 7188 2 147 . 1 1 53 53 LEU CB C 13 42.099 0.2 . 1 . . . . 53 LEU CB . 7188 2 148 . 1 1 54 54 ILE C C 13 175.248 0.2 . 1 . . . . 54 ILE C . 7188 2 149 . 1 1 54 54 ILE CA C 13 60.631 0.2 . 1 . . . . 54 ILE CA . 7188 2 150 . 1 1 54 54 ILE CB C 13 38.704 0.2 . 1 . . . . 54 ILE CB . 7188 2 151 . 1 1 55 55 TYR C C 13 174.544 0.2 . 1 . . . . 55 TYR C . 7188 2 152 . 1 1 55 55 TYR CA C 13 57.183 0.2 . 1 . . . . 55 TYR CA . 7188 2 153 . 1 1 55 55 TYR CB C 13 39.022 0.2 . 1 . . . . 55 TYR CB . 7188 2 154 . 1 1 56 56 TYR CA C 13 55.517 0.2 . 1 . . . . 56 TYR CA . 7188 2 155 . 1 1 56 56 TYR CB C 13 38.793 0.2 . 1 . . . . 56 TYR CB . 7188 2 156 . 1 1 57 57 PRO C C 13 176.746 0.2 . 1 . . . . 57 PRO C . 7188 2 157 . 1 1 57 57 PRO CA C 13 62.776 0.2 . 1 . . . . 57 PRO CA . 7188 2 158 . 1 1 57 57 PRO CB C 13 32.003 0.2 . 1 . . . . 57 PRO CB . 7188 2 159 . 1 1 58 58 SER C C 13 174.280 0.2 . 1 . . . . 58 SER C . 7188 2 160 . 1 1 58 58 SER CA C 13 58.004 0.2 . 1 . . . . 58 SER CA . 7188 2 161 . 1 1 58 58 SER CB C 13 63.762 0.2 . 1 . . . . 58 SER CB . 7188 2 162 . 1 1 59 59 ASP C C 13 175.799 0.2 . 1 . . . . 59 ASP C . 7188 2 163 . 1 1 59 59 ASP CA C 13 54.004 0.2 . 1 . . . . 59 ASP CA . 7188 2 164 . 1 1 59 59 ASP CB C 13 41.066 0.2 . 1 . . . . 59 ASP CB . 7188 2 165 . 1 1 60 60 ASN C C 13 175.303 0.2 . 1 . . . . 60 ASN C . 7188 2 166 . 1 1 60 60 ASN CA C 13 53.049 0.2 . 1 . . . . 60 ASN CA . 7188 2 167 . 1 1 60 60 ASN CB C 13 38.654 0.2 . 1 . . . . 60 ASN CB . 7188 2 168 . 1 1 61 61 ARG C C 13 176.107 0.2 . 1 . . . . 61 ARG C . 7188 2 169 . 1 1 61 61 ARG CA C 13 56.198 0.2 . 1 . . . . 61 ARG CA . 7188 2 170 . 1 1 61 61 ARG CB C 13 30.661 0.2 . 1 . . . . 61 ARG CB . 7188 2 171 . 1 1 62 62 ASP CA C 13 54.212 0.2 . 1 . . . . 62 ASP CA . 7188 2 172 . 1 1 62 62 ASP CB C 13 41.066 0.2 . 1 . . . . 62 ASP CB . 7188 2 173 . 1 1 63 63 ASP C C 13 175.997 0.2 . 1 . . . . 63 ASP C . 7188 2 174 . 1 1 63 63 ASP CA C 13 53.714 0.2 . 1 . . . . 63 ASP CA . 7188 2 175 . 1 1 63 63 ASP CB C 13 40.859 0.2 . 1 . . . . 63 ASP CB . 7188 2 176 . 1 1 64 64 SER CA C 13 56.740 0.2 . 1 . . . . 64 SER CA . 7188 2 177 . 1 1 64 64 SER CB C 13 63.262 0.2 . 1 . . . . 64 SER CB . 7188 2 178 . 1 1 65 65 PRO C C 13 177.021 0.2 . 1 . . . . 65 PRO C . 7188 2 179 . 1 1 65 65 PRO CA C 13 63.319 0.2 . 1 . . . . 65 PRO CA . 7188 2 180 . 1 1 65 65 PRO CB C 13 31.903 0.2 . 1 . . . . 65 PRO CB . 7188 2 181 . 1 1 66 66 GLU C C 13 177.021 0.2 . 1 . . . . 66 GLU C . 7188 2 182 . 1 1 66 66 GLU CA C 13 56.703 0.2 . 1 . . . . 66 GLU CA . 7188 2 183 . 1 1 66 66 GLU CB C 13 30.043 0.2 . 1 . . . . 66 GLU CB . 7188 2 184 . 1 1 67 67 GLY C C 13 173.806 0.2 . 1 . . . . 67 GLY C . 7188 2 185 . 1 1 67 67 GLY CA C 13 45.059 0.2 . 1 . . . . 67 GLY CA . 7188 2 186 . 1 1 68 68 ILE C C 13 176.140 0.2 . 1 . . . . 68 ILE C . 7188 2 187 . 1 1 68 68 ILE CA C 13 60.784 0.2 . 1 . . . . 68 ILE CA . 7188 2 188 . 1 1 68 68 ILE CB C 13 38.527 0.2 . 1 . . . . 68 ILE CB . 7188 2 189 . 1 1 69 69 VAL C C 13 176.019 0.2 . 1 . . . . 69 VAL C . 7188 2 190 . 1 1 69 69 VAL CA C 13 62.181 0.2 . 1 . . . . 69 VAL CA . 7188 2 191 . 1 1 69 69 VAL CB C 13 32.805 0.2 . 1 . . . . 69 VAL CB . 7188 2 192 . 1 1 70 70 LYS CA C 13 56.076 0.2 . 1 . . . . 70 LYS CA . 7188 2 193 . 1 1 70 70 LYS CB C 13 33.085 0.2 . 1 . . . . 70 LYS CB . 7188 2 194 . 1 1 71 71 GLU C C 13 176.074 0.2 . 1 . . . . 71 GLU C . 7188 2 195 . 1 1 71 71 GLU CA C 13 56.065 0.2 . 1 . . . . 71 GLU CA . 7188 2 196 . 1 1 71 71 GLU CB C 13 29.761 0.2 . 1 . . . . 71 GLU CB . 7188 2 197 . 1 1 72 72 ILE C C 13 176.107 0.2 . 1 . . . . 72 ILE C . 7188 2 198 . 1 1 72 72 ILE CA C 13 60.858 0.2 . 1 . . . . 72 ILE CA . 7188 2 199 . 1 1 72 72 ILE CB C 13 38.290 0.2 . 1 . . . . 72 ILE CB . 7188 2 200 . 1 1 73 73 LYS CA C 13 56.074 0.2 . 1 . . . . 73 LYS CA . 7188 2 201 . 1 1 73 73 LYS CB C 13 33.094 0.2 . 1 . . . . 73 LYS CB . 7188 2 202 . 1 1 74 74 GLU C C 13 175.898 0.2 . 1 . . . . 74 GLU C . 7188 2 203 . 1 1 74 74 GLU CA C 13 56.263 0.2 . 1 . . . . 74 GLU CA . 7188 2 204 . 1 1 74 74 GLU CB C 13 30.334 0.2 . 1 . . . . 74 GLU CB . 7188 2 205 . 1 1 75 75 TRP C C 13 175.997 0.2 . 1 . . . . 75 TRP C . 7188 2 206 . 1 1 75 75 TRP CA C 13 57.680 0.2 . 1 . . . . 75 TRP CA . 7188 2 207 . 1 1 75 75 TRP CB C 13 29.430 0.2 . 1 . . . . 75 TRP CB . 7188 2 208 . 1 1 76 76 ARG C C 13 175.237 0.2 . 1 . . . . 76 ARG C . 7188 2 209 . 1 1 76 76 ARG CA C 13 55.330 0.2 . 1 . . . . 76 ARG CA . 7188 2 210 . 1 1 76 76 ARG CB C 13 31.266 0.2 . 1 . . . . 76 ARG CB . 7188 2 211 . 1 1 77 77 ALA CA C 13 52.225 0.2 . 1 . . . . 77 ALA CA . 7188 2 212 . 1 1 77 77 ALA CB C 13 18.793 0.2 . 1 . . . . 77 ALA CB . 7188 2 213 . 1 1 78 78 ALA C C 13 177.494 0.2 . 1 . . . . 78 ALA C . 7188 2 214 . 1 1 78 78 ALA CA C 13 52.518 0.2 . 1 . . . . 78 ALA CA . 7188 2 215 . 1 1 78 78 ALA CB C 13 18.866 0.2 . 1 . . . . 78 ALA CB . 7188 2 216 . 1 1 79 79 ASN C C 13 175.656 0.2 . 1 . . . . 79 ASN C . 7188 2 217 . 1 1 79 79 ASN CA C 13 52.945 0.2 . 1 . . . . 79 ASN CA . 7188 2 218 . 1 1 79 79 ASN CB C 13 38.699 0.2 . 1 . . . . 79 ASN CB . 7188 2 219 . 1 1 80 80 GLY C C 13 173.520 0.2 . 1 . . . . 80 GLY C . 7188 2 220 . 1 1 80 80 GLY CA C 13 44.943 0.2 . 1 . . . . 80 GLY CA . 7188 2 221 . 1 1 81 81 LYS CA C 13 54.396 0.2 . 1 . . . . 81 LYS CA . 7188 2 222 . 1 1 81 81 LYS CB C 13 32.688 0.2 . 1 . . . . 81 LYS CB . 7188 2 223 . 1 1 82 82 PRO CA C 13 63.136 0.2 . 1 . . . . 82 PRO CA . 7188 2 224 . 1 1 82 82 PRO CB C 13 32.028 0.2 . 1 . . . . 82 PRO CB . 7188 2 225 . 1 1 83 83 GLY C C 13 173.619 0.2 . 1 . . . . 83 GLY C . 7188 2 226 . 1 1 83 83 GLY CA C 13 44.729 0.2 . 1 . . . . 83 GLY CA . 7188 2 227 . 1 1 84 84 PHE C C 13 175.458 0.2 . 1 . . . . 84 PHE C . 7188 2 228 . 1 1 84 84 PHE CA C 13 57.534 0.2 . 1 . . . . 84 PHE CA . 7188 2 229 . 1 1 84 84 PHE CB C 13 39.707 0.2 . 1 . . . . 84 PHE CB . 7188 2 230 . 1 1 85 85 LYS C C 13 175.744 0.2 . 1 . . . . 85 LYS C . 7188 2 231 . 1 1 85 85 LYS CA C 13 56.032 0.2 . 1 . . . . 85 LYS CA . 7188 2 232 . 1 1 85 85 LYS CB C 13 33.207 0.2 . 1 . . . . 85 LYS CB . 7188 2 233 . 1 1 86 86 GLN C C 13 175.292 0.2 . 1 . . . . 86 GLN C . 7188 2 234 . 1 1 86 86 GLN CA C 13 55.924 0.2 . 1 . . . . 86 GLN CA . 7188 2 235 . 1 1 86 86 GLN CB C 13 30.140 0.2 . 1 . . . . 86 GLN CB . 7188 2 236 . 1 1 87 87 GLY CA C 13 46.345 0.2 . 1 . . . . 87 GLY CA . 7188 2 stop_ save_