################################### # 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 18256 _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 3 '3D C(CO)NH' . . . 18256 1 10 '3D H(CCO)NH' . . . 18256 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 MET HA H 1 4.070 . . 1 . . . A 2 MET HA . 18256 1 2 . 1 1 2 2 MET C C 13 176.670 . . 1 . . . A 2 MET C . 18256 1 3 . 1 1 2 2 MET CA C 13 56.860 . . 1 . . . A 2 MET CA . 18256 1 4 . 1 1 2 2 MET CB C 13 32.740 . . 1 . . . A 2 MET CB . 18256 1 5 . 1 1 3 3 GLU H H 1 9.250 . . 1 . . . A 3 GLU H . 18256 1 6 . 1 1 3 3 GLU HA H 1 4.150 . . 1 . . . A 3 GLU HA . 18256 1 7 . 1 1 3 3 GLU C C 13 178.300 . . 1 . . . A 3 GLU C . 18256 1 8 . 1 1 3 3 GLU CA C 13 59.520 . . 1 . . . A 3 GLU CA . 18256 1 9 . 1 1 3 3 GLU CB C 13 28.700 . . 1 . . . A 3 GLU CB . 18256 1 10 . 1 1 3 3 GLU N N 15 121.650 . . 1 . . . A 3 GLU N . 18256 1 11 . 1 1 4 4 LYS H H 1 8.290 . . 1 . . . A 4 LYS H . 18256 1 12 . 1 1 4 4 LYS HA H 1 4.190 . . 1 . . . A 4 LYS HA . 18256 1 13 . 1 1 4 4 LYS C C 13 178.010 . . 1 . . . A 4 LYS C . 18256 1 14 . 1 1 4 4 LYS CA C 13 58.680 . . 1 . . . A 4 LYS CA . 18256 1 15 . 1 1 4 4 LYS CB C 13 32.720 . . 1 . . . A 4 LYS CB . 18256 1 16 . 1 1 4 4 LYS N N 15 120.150 . . 1 . . . A 4 LYS N . 18256 1 17 . 1 1 5 5 VAL H H 1 7.770 . . 1 . . . A 5 VAL H . 18256 1 18 . 1 1 5 5 VAL HA H 1 3.750 . . 1 . . . A 5 VAL HA . 18256 1 19 . 1 1 5 5 VAL C C 13 178.040 . . 1 . . . A 5 VAL C . 18256 1 20 . 1 1 5 5 VAL CA C 13 65.500 . . 1 . . . A 5 VAL CA . 18256 1 21 . 1 1 5 5 VAL CB C 13 31.880 . . 1 . . . A 5 VAL CB . 18256 1 22 . 1 1 5 5 VAL N N 15 117.680 . . 1 . . . A 5 VAL N . 18256 1 23 . 1 1 6 6 GLN H H 1 8.340 . . 1 . . . A 6 GLN H . 18256 1 24 . 1 1 6 6 GLN HA H 1 4.030 . . 1 . . . A 6 GLN HA . 18256 1 25 . 1 1 6 6 GLN C C 13 176.990 . . 1 . . . A 6 GLN C . 18256 1 26 . 1 1 6 6 GLN CA C 13 59.060 . . 1 . . . A 6 GLN CA . 18256 1 27 . 1 1 6 6 GLN CB C 13 28.770 . . 1 . . . A 6 GLN CB . 18256 1 28 . 1 1 6 6 GLN N N 15 120.890 . . 1 . . . A 6 GLN N . 18256 1 29 . 1 1 7 7 TYR H H 1 8.000 . . 1 . . . A 7 TYR H . 18256 1 30 . 1 1 7 7 TYR HA H 1 4.280 . . 1 . . . A 7 TYR HA . 18256 1 31 . 1 1 7 7 TYR C C 13 177.890 . . 1 . . . A 7 TYR C . 18256 1 32 . 1 1 7 7 TYR CA C 13 61.010 . . 1 . . . A 7 TYR CA . 18256 1 33 . 1 1 7 7 TYR CB C 13 38.420 . . 1 . . . A 7 TYR CB . 18256 1 34 . 1 1 7 7 TYR N N 15 118.960 . . 1 . . . A 7 TYR N . 18256 1 35 . 1 1 8 8 LEU H H 1 8.160 . . 1 . . . A 8 LEU H . 18256 1 36 . 1 1 8 8 LEU HA H 1 4.070 . . 1 . . . A 8 LEU HA . 18256 1 37 . 1 1 8 8 LEU C C 13 177.700 . . 1 . . . A 8 LEU C . 18256 1 38 . 1 1 8 8 LEU CA C 13 57.200 . . 1 . . . A 8 LEU CA . 18256 1 39 . 1 1 8 8 LEU CB C 13 42.140 . . 1 . . . A 8 LEU CB . 18256 1 40 . 1 1 8 8 LEU N N 15 120.330 . . 1 . . . A 8 LEU N . 18256 1 41 . 1 1 9 9 THR H H 1 8.030 . . 1 . . . A 9 THR H . 18256 1 42 . 1 1 9 9 THR HA H 1 3.980 . . 1 . . . A 9 THR HA . 18256 1 43 . 1 1 9 9 THR C C 13 176.070 . . 1 . . . A 9 THR C . 18256 1 44 . 1 1 9 9 THR CA C 13 65.610 . . 1 . . . A 9 THR CA . 18256 1 45 . 1 1 9 9 THR CB C 13 68.960 . . 1 . . . A 9 THR CB . 18256 1 46 . 1 1 9 9 THR N N 15 112.710 . . 1 . . . A 9 THR N . 18256 1 47 . 1 1 10 10 ARG H H 1 8.360 . . 1 . . . A 10 ARG H . 18256 1 48 . 1 1 10 10 ARG HA H 1 3.960 . . 1 . . . A 10 ARG HA . 18256 1 49 . 1 1 10 10 ARG C C 13 178.750 . . 1 . . . A 10 ARG C . 18256 1 50 . 1 1 10 10 ARG CA C 13 59.700 . . 1 . . . A 10 ARG CA . 18256 1 51 . 1 1 10 10 ARG CB C 13 30.070 . . 1 . . . A 10 ARG CB . 18256 1 52 . 1 1 10 10 ARG N N 15 120.580 . . 1 . . . A 10 ARG N . 18256 1 53 . 1 1 11 11 SER H H 1 8.040 . . 1 . . . A 11 SER H . 18256 1 54 . 1 1 11 11 SER HA H 1 4.140 . . 1 . . . A 11 SER HA . 18256 1 55 . 1 1 11 11 SER C C 13 176.120 . . 1 . . . A 11 SER C . 18256 1 56 . 1 1 11 11 SER CA C 13 61.210 . . 1 . . . A 11 SER CA . 18256 1 57 . 1 1 11 11 SER CB C 13 62.950 . . 1 . . . A 11 SER CB . 18256 1 58 . 1 1 11 11 SER N N 15 114.560 . . 1 . . . A 11 SER N . 18256 1 59 . 1 1 12 12 ALA H H 1 8.210 . . 1 . . . A 12 ALA H . 18256 1 60 . 1 1 12 12 ALA HA H 1 4.040 . . 1 . . . A 12 ALA HA . 18256 1 61 . 1 1 12 12 ALA C C 13 178.730 . . 1 . . . A 12 ALA C . 18256 1 62 . 1 1 12 12 ALA CA C 13 55.550 . . 1 . . . A 12 ALA CA . 18256 1 63 . 1 1 12 12 ALA CB C 13 18.680 . . 1 . . . A 12 ALA CB . 18256 1 64 . 1 1 12 12 ALA N N 15 124.480 . . 1 . . . A 12 ALA N . 18256 1 65 . 1 1 13 13 ILE H H 1 8.010 . . 1 . . . A 13 ILE H . 18256 1 66 . 1 1 13 13 ILE HA H 1 3.670 . . 1 . . . A 13 ILE HA . 18256 1 67 . 1 1 13 13 ILE C C 13 177.970 . . 1 . . . A 13 ILE C . 18256 1 68 . 1 1 13 13 ILE CA C 13 64.800 . . 1 . . . A 13 ILE CA . 18256 1 69 . 1 1 13 13 ILE CB C 13 38.020 . . 1 . . . A 13 ILE CB . 18256 1 70 . 1 1 13 13 ILE N N 15 116.710 . . 1 . . . A 13 ILE N . 18256 1 71 . 1 1 14 14 ARG H H 1 8.000 . . 1 . . . A 14 ARG H . 18256 1 72 . 1 1 14 14 ARG HA H 1 4.030 . . 1 . . . A 14 ARG HA . 18256 1 73 . 1 1 14 14 ARG C C 13 179.200 . . 1 . . . A 14 ARG C . 18256 1 74 . 1 1 14 14 ARG CA C 13 59.310 . . 1 . . . A 14 ARG CA . 18256 1 75 . 1 1 14 14 ARG CB C 13 29.850 . . 1 . . . A 14 ARG CB . 18256 1 76 . 1 1 14 14 ARG N N 15 119.900 . . 1 . . . A 14 ARG N . 18256 1 77 . 1 1 15 15 ARG H H 1 8.060 . . 1 . . . A 15 ARG H . 18256 1 78 . 1 1 15 15 ARG HA H 1 4.190 . . 1 . . . A 15 ARG HA . 18256 1 79 . 1 1 15 15 ARG C C 13 178.190 . . 1 . . . A 15 ARG C . 18256 1 80 . 1 1 15 15 ARG CA C 13 57.920 . . 1 . . . A 15 ARG CA . 18256 1 81 . 1 1 15 15 ARG CB C 13 30.110 . . 1 . . . A 15 ARG CB . 18256 1 82 . 1 1 15 15 ARG N N 15 119.070 . . 1 . . . A 15 ARG N . 18256 1 83 . 1 1 16 16 ALA H H 1 8.350 . . 1 . . . A 16 ALA H . 18256 1 84 . 1 1 16 16 ALA HA H 1 4.060 . . 1 . . . A 16 ALA HA . 18256 1 85 . 1 1 16 16 ALA C C 13 177.710 . . 1 . . . A 16 ALA C . 18256 1 86 . 1 1 16 16 ALA CA C 13 54.410 . . 1 . . . A 16 ALA CA . 18256 1 87 . 1 1 16 16 ALA CB C 13 18.670 . . 1 . . . A 16 ALA CB . 18256 1 88 . 1 1 16 16 ALA N N 15 121.460 . . 1 . . . A 16 ALA N . 18256 1 89 . 1 1 17 17 SER H H 1 7.810 . . 1 . . . A 17 SER H . 18256 1 90 . 1 1 17 17 SER HA H 1 4.260 . . 1 . . . A 17 SER HA . 18256 1 91 . 1 1 17 17 SER C C 13 174.550 . . 1 . . . A 17 SER C . 18256 1 92 . 1 1 17 17 SER CA C 13 60.560 . . 1 . . . A 17 SER CA . 18256 1 93 . 1 1 17 17 SER CB C 13 63.830 . . 1 . . . A 17 SER CB . 18256 1 94 . 1 1 17 17 SER N N 15 109.900 . . 1 . . . A 17 SER N . 18256 1 95 . 1 1 18 18 THR H H 1 7.580 . . 1 . . . A 18 THR H . 18256 1 96 . 1 1 18 18 THR HA H 1 4.350 . . 1 . . . A 18 THR HA . 18256 1 97 . 1 1 18 18 THR C C 13 174.620 . . 1 . . . A 18 THR C . 18256 1 98 . 1 1 18 18 THR CA C 13 61.900 . . 1 . . . A 18 THR CA . 18256 1 99 . 1 1 18 18 THR CB C 13 69.630 . . 1 . . . A 18 THR CB . 18256 1 100 . 1 1 18 18 THR N N 15 110.340 . . 1 . . . A 18 THR N . 18256 1 101 . 1 1 19 19 ILE H H 1 7.390 . . 1 . . . A 19 ILE H . 18256 1 102 . 1 1 19 19 ILE HA H 1 4.040 . . 1 . . . A 19 ILE HA . 18256 1 103 . 1 1 19 19 ILE C C 13 174.800 . . 1 . . . A 19 ILE C . 18256 1 104 . 1 1 19 19 ILE CA C 13 61.690 . . 1 . . . A 19 ILE CA . 18256 1 105 . 1 1 19 19 ILE CB C 13 38.910 . . 1 . . . A 19 ILE CB . 18256 1 106 . 1 1 19 19 ILE N N 15 122.220 . . 1 . . . A 19 ILE N . 18256 1 107 . 1 1 20 20 GLU H H 1 8.320 . . 1 . . . A 20 GLU H . 18256 1 108 . 1 1 20 20 GLU HA H 1 4.370 . . 1 . . . A 20 GLU HA . 18256 1 109 . 1 1 20 20 GLU C C 13 175.610 . . 1 . . . A 20 GLU C . 18256 1 110 . 1 1 20 20 GLU CA C 13 55.590 . . 1 . . . A 20 GLU CA . 18256 1 111 . 1 1 20 20 GLU CB C 13 30.590 . . 1 . . . A 20 GLU CB . 18256 1 112 . 1 1 20 20 GLU N N 15 125.230 . . 1 . . . A 20 GLU N . 18256 1 113 . 1 1 21 21 MET H H 1 8.570 . . 1 . . . A 21 MET H . 18256 1 114 . 1 1 21 21 MET HA H 1 4.470 . . 1 . . . A 21 MET HA . 18256 1 115 . 1 1 21 21 MET CA C 13 55.830 . . 1 . . . A 21 MET CA . 18256 1 116 . 1 1 21 21 MET CB C 13 32.370 . . 1 . . . A 21 MET CB . 18256 1 117 . 1 1 21 21 MET N N 15 122.970 . . 1 . . . A 21 MET N . 18256 1 118 . 1 1 22 22 PRO C C 13 177.260 . . 1 . . . A 22 PRO C . 18256 1 119 . 1 1 22 22 PRO CA C 13 63.100 . . 1 . . . A 22 PRO CA . 18256 1 120 . 1 1 22 22 PRO CB C 13 32.660 . . 1 . . . A 22 PRO CB . 18256 1 121 . 1 1 23 23 GLN H H 1 8.820 . . 1 . . . A 23 GLN H . 18256 1 122 . 1 1 23 23 GLN HA H 1 4.650 . . 1 . . . A 23 GLN HA . 18256 1 123 . 1 1 23 23 GLN C C 13 177.510 . . 1 . . . A 23 GLN C . 18256 1 124 . 1 1 23 23 GLN CA C 13 58.530 . . 1 . . . A 23 GLN CA . 18256 1 125 . 1 1 23 23 GLN CB C 13 28.700 . . 1 . . . A 23 GLN CB . 18256 1 126 . 1 1 23 23 GLN N N 15 122.360 . . 1 . . . A 23 GLN N . 18256 1 127 . 1 1 24 24 GLN H H 1 8.810 . . 1 . . . A 24 GLN H . 18256 1 128 . 1 1 24 24 GLN HA H 1 4.160 . . 1 . . . A 24 GLN HA . 18256 1 129 . 1 1 24 24 GLN C C 13 177.000 . . 1 . . . A 24 GLN C . 18256 1 130 . 1 1 24 24 GLN CA C 13 57.750 . . 1 . . . A 24 GLN CA . 18256 1 131 . 1 1 24 24 GLN CB C 13 28.540 . . 1 . . . A 24 GLN CB . 18256 1 132 . 1 1 24 24 GLN N N 15 117.850 . . 1 . . . A 24 GLN N . 18256 1 133 . 1 1 25 25 ALA H H 1 7.670 . . 1 . . . A 25 ALA H . 18256 1 134 . 1 1 25 25 ALA HA H 1 4.190 . . 1 . . . A 25 ALA HA . 18256 1 135 . 1 1 25 25 ALA C C 13 178.180 . . 1 . . . A 25 ALA C . 18256 1 136 . 1 1 25 25 ALA CA C 13 54.200 . . 1 . . . A 25 ALA CA . 18256 1 137 . 1 1 25 25 ALA CB C 13 19.170 . . 1 . . . A 25 ALA CB . 18256 1 138 . 1 1 25 25 ALA N N 15 121.410 . . 1 . . . A 25 ALA N . 18256 1 139 . 1 1 26 26 ARG H H 1 8.020 . . 1 . . . A 26 ARG H . 18256 1 140 . 1 1 26 26 ARG HA H 1 4.020 . . 1 . . . A 26 ARG HA . 18256 1 141 . 1 1 26 26 ARG C C 13 177.560 . . 1 . . . A 26 ARG C . 18256 1 142 . 1 1 26 26 ARG CA C 13 58.600 . . 1 . . . A 26 ARG CA . 18256 1 143 . 1 1 26 26 ARG CB C 13 30.280 . . 1 . . . A 26 ARG CB . 18256 1 144 . 1 1 26 26 ARG N N 15 117.280 . . 1 . . . A 26 ARG N . 18256 1 145 . 1 1 27 27 GLN H H 1 8.150 . . 1 . . . A 27 GLN H . 18256 1 146 . 1 1 27 27 GLN HA H 1 4.150 . . 1 . . . A 27 GLN HA . 18256 1 147 . 1 1 27 27 GLN C C 13 176.880 . . 1 . . . A 27 GLN C . 18256 1 148 . 1 1 27 27 GLN CA C 13 57.790 . . 1 . . . A 27 GLN CA . 18256 1 149 . 1 1 27 27 GLN CB C 13 28.820 . . 1 . . . A 27 GLN CB . 18256 1 150 . 1 1 27 27 GLN N N 15 117.680 . . 1 . . . A 27 GLN N . 18256 1 151 . 1 1 28 28 ASN H H 1 7.980 . . 1 . . . A 28 ASN H . 18256 1 152 . 1 1 28 28 ASN HA H 1 4.700 . . 1 . . . A 28 ASN HA . 18256 1 153 . 1 1 28 28 ASN C C 13 176.270 . . 1 . . . A 28 ASN C . 18256 1 154 . 1 1 28 28 ASN CA C 13 54.660 . . 1 . . . A 28 ASN CA . 18256 1 155 . 1 1 28 28 ASN CB C 13 39.160 . . 1 . . . A 28 ASN CB . 18256 1 156 . 1 1 28 28 ASN N N 15 117.370 . . 1 . . . A 28 ASN N . 18256 1 157 . 1 1 29 29 LEU H H 1 8.120 . . 1 . . . A 29 LEU H . 18256 1 158 . 1 1 29 29 LEU HA H 1 4.090 . . 1 . . . A 29 LEU HA . 18256 1 159 . 1 1 29 29 LEU C C 13 177.670 . . 1 . . . A 29 LEU C . 18256 1 160 . 1 1 29 29 LEU CA C 13 57.420 . . 1 . . . A 29 LEU CA . 18256 1 161 . 1 1 29 29 LEU CB C 13 41.980 . . 1 . . . A 29 LEU CB . 18256 1 162 . 1 1 29 29 LEU N N 15 120.890 . . 1 . . . A 29 LEU N . 18256 1 163 . 1 1 30 30 GLN H H 1 8.290 . . 1 . . . A 30 GLN H . 18256 1 164 . 1 1 30 30 GLN HA H 1 3.940 . . 1 . . . A 30 GLN HA . 18256 1 165 . 1 1 30 30 GLN C C 13 177.000 . . 1 . . . A 30 GLN C . 18256 1 166 . 1 1 30 30 GLN CA C 13 59.450 . . 1 . . . A 30 GLN CA . 18256 1 167 . 1 1 30 30 GLN CB C 13 28.690 . . 1 . . . A 30 GLN CB . 18256 1 168 . 1 1 30 30 GLN N N 15 117.840 . . 1 . . . A 30 GLN N . 18256 1 169 . 1 1 31 31 ASN H H 1 8.040 . . 1 . . . A 31 ASN H . 18256 1 170 . 1 1 31 31 ASN HA H 1 4.510 . . 1 . . . A 31 ASN HA . 18256 1 171 . 1 1 31 31 ASN C C 13 176.880 . . 1 . . . A 31 ASN C . 18256 1 172 . 1 1 31 31 ASN CB C 13 38.700 . . 1 . . . A 31 ASN CB . 18256 1 173 . 1 1 31 31 ASN N N 15 116.700 . . 1 . . . A 31 ASN N . 18256 1 174 . 1 1 32 32 LEU H H 1 8.040 . . 1 . . . A 32 LEU H . 18256 1 175 . 1 1 32 32 LEU HA H 1 4.090 . . 1 . . . A 32 LEU HA . 18256 1 176 . 1 1 32 32 LEU C C 13 177.880 . . 1 . . . A 32 LEU C . 18256 1 177 . 1 1 32 32 LEU CA C 13 58.270 . . 1 . . . A 32 LEU CA . 18256 1 178 . 1 1 32 32 LEU CB C 13 42.110 . . 1 . . . A 32 LEU CB . 18256 1 179 . 1 1 32 32 LEU N N 15 121.280 . . 1 . . . A 32 LEU N . 18256 1 180 . 1 1 33 33 PHE H H 1 8.260 . . 1 . . . A 33 PHE H . 18256 1 181 . 1 1 33 33 PHE HA H 1 4.250 . . 1 . . . A 33 PHE HA . 18256 1 182 . 1 1 33 33 PHE C C 13 176.980 . . 1 . . . A 33 PHE C . 18256 1 183 . 1 1 33 33 PHE CB C 13 38.910 . . 1 . . . A 33 PHE CB . 18256 1 184 . 1 1 33 33 PHE N N 15 117.360 . . 1 . . . A 33 PHE N . 18256 1 185 . 1 1 34 34 ILE H H 1 8.140 . . 1 . . . A 34 ILE H . 18256 1 186 . 1 1 34 34 ILE HA H 1 3.620 . . 1 . . . A 34 ILE HA . 18256 1 187 . 1 1 34 34 ILE C C 13 176.780 . . 1 . . . A 34 ILE C . 18256 1 188 . 1 1 34 34 ILE CA C 13 65.000 . . 1 . . . A 34 ILE CA . 18256 1 189 . 1 1 34 34 ILE CB C 13 37.750 . . 1 . . . A 34 ILE CB . 18256 1 190 . 1 1 34 34 ILE N N 15 118.190 . . 1 . . . A 34 ILE N . 18256 1 191 . 1 1 35 35 ASN H H 1 7.890 . . 1 . . . A 35 ASN H . 18256 1 192 . 1 1 35 35 ASN HA H 1 4.390 . . 1 . . . A 35 ASN HA . 18256 1 193 . 1 1 35 35 ASN C C 13 176.900 . . 1 . . . A 35 ASN C . 18256 1 194 . 1 1 35 35 ASN CA C 13 56.420 . . 1 . . . A 35 ASN CA . 18256 1 195 . 1 1 35 35 ASN CB C 13 38.730 . . 1 . . . A 35 ASN CB . 18256 1 196 . 1 1 35 35 ASN N N 15 117.210 . . 1 . . . A 35 ASN N . 18256 1 197 . 1 1 36 36 PHE H H 1 8.410 . . 1 . . . A 36 PHE H . 18256 1 198 . 1 1 36 36 PHE HA H 1 4.260 . . 1 . . . A 36 PHE HA . 18256 1 199 . 1 1 36 36 PHE C C 13 176.330 . . 1 . . . A 36 PHE C . 18256 1 200 . 1 1 36 36 PHE CA C 13 61.090 . . 1 . . . A 36 PHE CA . 18256 1 201 . 1 1 36 36 PHE CB C 13 39.100 . . 1 . . . A 36 PHE CB . 18256 1 202 . 1 1 36 36 PHE N N 15 118.090 . . 1 . . . A 36 PHE N . 18256 1 203 . 1 1 37 37 ALA H H 1 8.390 . . 1 . . . A 37 ALA H . 18256 1 204 . 1 1 37 37 ALA HA H 1 3.700 . . 1 . . . A 37 ALA HA . 18256 1 205 . 1 1 37 37 ALA C C 13 178.620 . . 1 . . . A 37 ALA C . 18256 1 206 . 1 1 37 37 ALA CA C 13 55.790 . . 1 . . . A 37 ALA CA . 18256 1 207 . 1 1 37 37 ALA CB C 13 17.960 . . 1 . . . A 37 ALA CB . 18256 1 208 . 1 1 37 37 ALA N N 15 120.810 . . 1 . . . A 37 ALA N . 18256 1 209 . 1 1 38 38 LEU H H 1 8.080 . . 1 . . . A 38 LEU H . 18256 1 210 . 1 1 38 38 LEU HA H 1 3.660 . . 1 . . . A 38 LEU HA . 18256 1 211 . 1 1 38 38 LEU C C 13 178.210 . . 1 . . . A 38 LEU C . 18256 1 212 . 1 1 38 38 LEU CA C 13 58.450 . . 1 . . . A 38 LEU CA . 18256 1 213 . 1 1 38 38 LEU CB C 13 41.900 . . 1 . . . A 38 LEU CB . 18256 1 214 . 1 1 38 38 LEU N N 15 115.470 . . 1 . . . A 38 LEU N . 18256 1 215 . 1 1 39 39 ILE H H 1 7.720 . . 1 . . . A 39 ILE H . 18256 1 216 . 1 1 39 39 ILE HA H 1 3.590 . . 1 . . . A 39 ILE HA . 18256 1 217 . 1 1 39 39 ILE C C 13 177.120 . . 1 . . . A 39 ILE C . 18256 1 218 . 1 1 39 39 ILE CA C 13 65.330 . . 1 . . . A 39 ILE CA . 18256 1 219 . 1 1 39 39 ILE CB C 13 37.630 . . 1 . . . A 39 ILE CB . 18256 1 220 . 1 1 39 39 ILE N N 15 117.650 . . 1 . . . A 39 ILE N . 18256 1 221 . 1 1 40 40 LEU H H 1 8.060 . . 1 . . . A 40 LEU H . 18256 1 222 . 1 1 40 40 LEU HA H 1 3.830 . . 1 . . . A 40 LEU HA . 18256 1 223 . 1 1 40 40 LEU C C 13 178.210 . . 1 . . . A 40 LEU C . 18256 1 224 . 1 1 40 40 LEU CA C 13 58.390 . . 1 . . . A 40 LEU CA . 18256 1 225 . 1 1 40 40 LEU CB C 13 41.710 . . 1 . . . A 40 LEU CB . 18256 1 226 . 1 1 40 40 LEU N N 15 119.070 . . 1 . . . A 40 LEU N . 18256 1 227 . 1 1 41 41 ILE H H 1 8.220 . . 1 . . . A 41 ILE H . 18256 1 228 . 1 1 41 41 ILE HA H 1 3.490 . . 1 . . . A 41 ILE HA . 18256 1 229 . 1 1 41 41 ILE C C 13 176.940 . . 1 . . . A 41 ILE C . 18256 1 230 . 1 1 41 41 ILE CA C 13 65.330 . . 1 . . . A 41 ILE CA . 18256 1 231 . 1 1 41 41 ILE CB C 13 37.420 . . 1 . . . A 41 ILE CB . 18256 1 232 . 1 1 41 41 ILE N N 15 117.330 . . 1 . . . A 41 ILE N . 18256 1 233 . 1 1 42 42 PHE H H 1 8.230 . . 1 . . . A 42 PHE H . 18256 1 234 . 1 1 42 42 PHE HA H 1 4.120 . . 1 . . . A 42 PHE HA . 18256 1 235 . 1 1 42 42 PHE C C 13 176.830 . . 1 . . . A 42 PHE C . 18256 1 236 . 1 1 42 42 PHE CA C 13 62.180 . . 1 . . . A 42 PHE CA . 18256 1 237 . 1 1 42 42 PHE CB C 13 39.080 . . 1 . . . A 42 PHE CB . 18256 1 238 . 1 1 42 42 PHE N N 15 119.410 . . 1 . . . A 42 PHE N . 18256 1 239 . 1 1 43 43 LEU H H 1 8.440 . . 1 . . . A 43 LEU H . 18256 1 240 . 1 1 43 43 LEU HA H 1 3.780 . . 1 . . . A 43 LEU HA . 18256 1 241 . 1 1 43 43 LEU C C 13 178.280 . . 1 . . . A 43 LEU C . 18256 1 242 . 1 1 43 43 LEU CA C 13 58.220 . . 1 . . . A 43 LEU CA . 18256 1 243 . 1 1 43 43 LEU CB C 13 41.760 . . 1 . . . A 43 LEU CB . 18256 1 244 . 1 1 43 43 LEU N N 15 117.370 . . 1 . . . A 43 LEU N . 18256 1 245 . 1 1 44 44 LEU H H 1 8.270 . . 1 . . . A 44 LEU H . 18256 1 246 . 1 1 44 44 LEU HA H 1 3.890 . . 1 . . . A 44 LEU HA . 18256 1 247 . 1 1 44 44 LEU C C 13 178.110 . . 1 . . . A 44 LEU C . 18256 1 248 . 1 1 44 44 LEU CA C 13 57.850 . . 1 . . . A 44 LEU CA . 18256 1 249 . 1 1 44 44 LEU CB C 13 41.870 . . 1 . . . A 44 LEU CB . 18256 1 250 . 1 1 44 44 LEU N N 15 117.960 . . 1 . . . A 44 LEU N . 18256 1 251 . 1 1 45 45 LEU H H 1 8.270 . . 1 . . . A 45 LEU H . 18256 1 252 . 1 1 45 45 LEU HA H 1 3.860 . . 1 . . . A 45 LEU HA . 18256 1 253 . 1 1 45 45 LEU C C 13 178.560 . . 1 . . . A 45 LEU C . 18256 1 254 . 1 1 45 45 LEU CA C 13 58.410 . . 1 . . . A 45 LEU CA . 18256 1 255 . 1 1 45 45 LEU CB C 13 41.520 . . 1 . . . A 45 LEU CB . 18256 1 256 . 1 1 45 45 LEU N N 15 118.580 . . 1 . . . A 45 LEU N . 18256 1 257 . 1 1 46 46 ILE H H 1 8.020 . . 1 . . . A 46 ILE H . 18256 1 258 . 1 1 46 46 ILE HA H 1 3.460 . . 1 . . . A 46 ILE HA . 18256 1 259 . 1 1 46 46 ILE C C 13 177.030 . . 1 . . . A 46 ILE C . 18256 1 260 . 1 1 46 46 ILE CA C 13 65.110 . . 1 . . . A 46 ILE CA . 18256 1 261 . 1 1 46 46 ILE CB C 13 36.690 . . 1 . . . A 46 ILE CB . 18256 1 262 . 1 1 46 46 ILE N N 15 117.280 . . 1 . . . A 46 ILE N . 18256 1 263 . 1 1 47 47 ALA H H 1 8.290 . . 1 . . . A 47 ALA H . 18256 1 264 . 1 1 47 47 ALA HA H 1 3.770 . . 1 . . . A 47 ALA HA . 18256 1 265 . 1 1 47 47 ALA C C 13 178.730 . . 1 . . . A 47 ALA C . 18256 1 266 . 1 1 47 47 ALA CA C 13 55.920 . . 1 . . . A 47 ALA CA . 18256 1 267 . 1 1 47 47 ALA CB C 13 18.130 . . 1 . . . A 47 ALA CB . 18256 1 268 . 1 1 47 47 ALA N N 15 121.040 . . 1 . . . A 47 ALA N . 18256 1 269 . 1 1 48 48 ILE H H 1 8.220 . . 1 . . . A 48 ILE H . 18256 1 270 . 1 1 48 48 ILE HA H 1 3.490 . . 1 . . . A 48 ILE HA . 18256 1 271 . 1 1 48 48 ILE C C 13 177.320 . . 1 . . . A 48 ILE C . 18256 1 272 . 1 1 48 48 ILE CA C 13 65.880 . . 1 . . . A 48 ILE CA . 18256 1 273 . 1 1 48 48 ILE CB C 13 37.920 . . 1 . . . A 48 ILE CB . 18256 1 274 . 1 1 48 48 ILE N N 15 116.280 . . 1 . . . A 48 ILE N . 18256 1 275 . 1 1 49 49 ILE H H 1 8.090 . . 1 . . . A 49 ILE H . 18256 1 276 . 1 1 49 49 ILE HA H 1 3.490 . . 1 . . . A 49 ILE HA . 18256 1 277 . 1 1 49 49 ILE C C 13 177.930 . . 1 . . . A 49 ILE C . 18256 1 278 . 1 1 49 49 ILE CA C 13 66.120 . . 1 . . . A 49 ILE CA . 18256 1 279 . 1 1 49 49 ILE CB C 13 37.620 . . 1 . . . A 49 ILE CB . 18256 1 280 . 1 1 49 49 ILE N N 15 118.560 . . 1 . . . A 49 ILE N . 18256 1 281 . 1 1 50 50 VAL H H 1 8.460 . . 1 . . . A 50 VAL H . 18256 1 282 . 1 1 50 50 VAL HA H 1 3.580 . . 1 . . . A 50 VAL HA . 18256 1 283 . 1 1 50 50 VAL C C 13 177.890 . . 1 . . . A 50 VAL C . 18256 1 284 . 1 1 50 50 VAL CA C 13 66.440 . . 1 . . . A 50 VAL CA . 18256 1 285 . 1 1 50 50 VAL CB C 13 31.430 . . 1 . . . A 50 VAL CB . 18256 1 286 . 1 1 50 50 VAL N N 15 115.890 . . 1 . . . A 50 VAL N . 18256 1 287 . 1 1 51 51 MET H H 1 8.010 . . 1 . . . A 51 MET H . 18256 1 288 . 1 1 51 51 MET HA H 1 4.250 . . 1 . . . A 51 MET HA . 18256 1 289 . 1 1 51 51 MET C C 13 177.300 . . 1 . . . A 51 MET C . 18256 1 290 . 1 1 51 51 MET CA C 13 57.530 . . 1 . . . A 51 MET CA . 18256 1 291 . 1 1 51 51 MET CB C 13 33.240 . . 1 . . . A 51 MET CB . 18256 1 292 . 1 1 51 51 MET N N 15 115.630 . . 1 . . . A 51 MET N . 18256 1 293 . 1 1 52 52 LEU H H 1 7.940 . . 1 . . . A 52 LEU H . 18256 1 294 . 1 1 52 52 LEU HA H 1 4.360 . . 1 . . . A 52 LEU HA . 18256 1 295 . 1 1 52 52 LEU C C 13 176.560 . . 1 . . . A 52 LEU C . 18256 1 296 . 1 1 52 52 LEU CA C 13 55.570 . . 1 . . . A 52 LEU CA . 18256 1 297 . 1 1 52 52 LEU CB C 13 43.630 . . 1 . . . A 52 LEU CB . 18256 1 298 . 1 1 52 52 LEU N N 15 118.350 . . 1 . . . A 52 LEU N . 18256 1 299 . 1 1 53 53 LEU H H 1 7.260 . . 1 . . . A 53 LEU H . 18256 1 300 . 1 1 53 53 LEU HA H 1 4.190 . . 1 . . . A 53 LEU HA . 18256 1 301 . 1 1 53 53 LEU CA C 13 54.330 . . 1 . . . A 53 LEU CA . 18256 1 302 . 1 1 53 53 LEU CB C 13 42.130 . . 1 . . . A 53 LEU CB . 18256 1 303 . 1 1 53 53 LEU N N 15 124.140 . . 1 . . . A 53 LEU N . 18256 1 stop_ save_