################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31146 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.30 _Assigned_chem_shift_list.Chem_shift_15N_err 0.30 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 31146 1 2 '2D 1H-1H NOESY' . . . 31146 1 3 '2D 1H-13C HSQC' . . . 31146 1 4 '2D DQF-COSY' . . . 31146 1 5 '2D 1H-15N HSQC' . . . 31146 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ARG HA H 1 3.510 0.02 . . . . . . A 1 ARG HA . 31146 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.750 0.02 . . . . . . A 1 ARG HB2 . 31146 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.560 0.02 . . . . . . A 1 ARG HB3 . 31146 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.380 0.02 . . . . . . A 1 ARG HG2 . 31146 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.300 0.02 . . . . . . A 1 ARG HG3 . 31146 1 6 . 1 . 1 1 1 ARG HD2 H 1 3.080 0.02 . . . . . . A 1 ARG HD2 . 31146 1 7 . 1 . 1 1 1 ARG HD3 H 1 3.080 0.02 . . . . . . A 1 ARG HD3 . 31146 1 8 . 1 . 1 1 1 ARG HE H 1 7.210 0.02 . . . . . . A 1 ARG HE . 31146 1 9 . 1 . 1 1 1 ARG CA C 13 53.100 0.30 . . . . . . A 1 ARG CA . 31146 1 10 . 1 . 1 1 1 ARG CB C 13 28.400 0.30 . . . . . . A 1 ARG CB . 31146 1 11 . 1 . 1 1 1 ARG CG C 13 23.500 0.30 . . . . . . A 1 ARG CG . 31146 1 12 . 1 . 1 1 1 ARG CD C 13 41.000 0.30 . . . . . . A 1 ARG CD . 31146 1 13 . 1 . 1 2 2 TRP H H 1 9.100 0.02 . . . . . . A 2 TRP H . 31146 1 14 . 1 . 1 2 2 TRP HA H 1 5.360 0.02 . . . . . . A 2 TRP HA . 31146 1 15 . 1 . 1 2 2 TRP HB2 H 1 3.120 0.02 . . . . . . A 2 TRP HB2 . 31146 1 16 . 1 . 1 2 2 TRP HB3 H 1 3.270 0.02 . . . . . . A 2 TRP HB3 . 31146 1 17 . 1 . 1 2 2 TRP HD1 H 1 7.440 0.02 . . . . . . A 2 TRP HD1 . 31146 1 18 . 1 . 1 2 2 TRP HE1 H 1 10.400 0.02 . . . . . . A 2 TRP HE1 . 31146 1 19 . 1 . 1 2 2 TRP HE3 H 1 7.650 0.02 . . . . . . A 2 TRP HE3 . 31146 1 20 . 1 . 1 2 2 TRP HZ2 H 1 7.370 0.02 . . . . . . A 2 TRP HZ2 . 31146 1 21 . 1 . 1 2 2 TRP HZ3 H 1 7.230 0.02 . . . . . . A 2 TRP HZ3 . 31146 1 22 . 1 . 1 2 2 TRP HH2 H 1 7.220 0.02 . . . . . . A 2 TRP HH2 . 31146 1 23 . 1 . 1 2 2 TRP CA C 13 54.900 0.30 . . . . . . A 2 TRP CA . 31146 1 24 . 1 . 1 2 2 TRP CB C 13 28.400 0.30 . . . . . . A 2 TRP CB . 31146 1 25 . 1 . 1 2 2 TRP CD1 C 13 125.700 0.30 . . . . . . A 2 TRP CD1 . 31146 1 26 . 1 . 1 2 2 TRP CE3 C 13 118.100 0.30 . . . . . . A 2 TRP CE3 . 31146 1 27 . 1 . 1 2 2 TRP CZ2 C 13 113.000 0.30 . . . . . . A 2 TRP CZ2 . 31146 1 28 . 1 . 1 2 2 TRP CZ3 C 13 120.400 0.30 . . . . . . A 2 TRP CZ3 . 31146 1 29 . 1 . 1 2 2 TRP CH2 C 13 122.300 0.30 . . . . . . A 2 TRP CH2 . 31146 1 30 . 1 . 1 2 2 TRP N N 15 125.240 0.30 . . . . . . A 2 TRP N . 31146 1 31 . 1 . 1 3 3 VAL H H 1 9.800 0.02 . . . . . . A 3 VAL H . 31146 1 32 . 1 . 1 3 3 VAL HA H 1 4.560 0.02 . . . . . . A 3 VAL HA . 31146 1 33 . 1 . 1 3 3 VAL HB H 1 1.980 0.02 . . . . . . A 3 VAL HB . 31146 1 34 . 1 . 1 3 3 VAL HG11 H 1 0.850 0.02 . . . . . . A 3 VAL HG11 . 31146 1 35 . 1 . 1 3 3 VAL HG12 H 1 0.850 0.02 . . . . . . A 3 VAL HG12 . 31146 1 36 . 1 . 1 3 3 VAL HG13 H 1 0.850 0.02 . . . . . . A 3 VAL HG13 . 31146 1 37 . 1 . 1 3 3 VAL HG21 H 1 0.800 0.02 . . . . . . A 3 VAL HG21 . 31146 1 38 . 1 . 1 3 3 VAL HG22 H 1 0.800 0.02 . . . . . . A 3 VAL HG22 . 31146 1 39 . 1 . 1 3 3 VAL HG23 H 1 0.800 0.02 . . . . . . A 3 VAL HG23 . 31146 1 40 . 1 . 1 3 3 VAL CA C 13 58.900 0.30 . . . . . . A 3 VAL CA . 31146 1 41 . 1 . 1 3 3 VAL CB C 13 28.300 0.30 . . . . . . A 3 VAL CB . 31146 1 42 . 1 . 1 3 3 VAL CG1 C 13 18.900 0.30 . . . . . . A 3 VAL CG1 . 31146 1 43 . 1 . 1 3 3 VAL CG2 C 13 18.400 0.30 . . . . . . A 3 VAL CG2 . 31146 1 44 . 1 . 1 4 4 ALA H H 1 8.490 0.02 . . . . . . A 4 ALA H . 31146 1 45 . 1 . 1 4 4 ALA HA H 1 4.080 0.02 . . . . . . A 4 ALA HA . 31146 1 46 . 1 . 1 4 4 ALA HB1 H 1 0.580 0.02 . . . . . . A 4 ALA HB1 . 31146 1 47 . 1 . 1 4 4 ALA HB2 H 1 0.580 0.02 . . . . . . A 4 ALA HB2 . 31146 1 48 . 1 . 1 4 4 ALA HB3 H 1 0.580 0.02 . . . . . . A 4 ALA HB3 . 31146 1 49 . 1 . 1 4 4 ALA CA C 13 49.200 0.30 . . . . . . A 4 ALA CA . 31146 1 50 . 1 . 1 4 4 ALA CB C 13 16.100 0.30 . . . . . . A 4 ALA CB . 31146 1 51 . 1 . 1 4 4 ALA N N 15 128.630 0.30 . . . . . . A 4 ALA N . 31146 1 52 . 1 . 1 5 5 ARG H H 1 8.530 0.02 . . . . . . A 5 ARG H . 31146 1 53 . 1 . 1 5 5 ARG HA H 1 4.310 0.02 . . . . . . A 5 ARG HA . 31146 1 54 . 1 . 1 5 5 ARG HB2 H 1 0.930 0.02 . . . . . . A 5 ARG HB2 . 31146 1 55 . 1 . 1 5 5 ARG HB3 H 1 0.920 0.02 . . . . . . A 5 ARG HB3 . 31146 1 56 . 1 . 1 5 5 ARG HG2 H 1 1.500 0.02 . . . . . . A 5 ARG HG2 . 31146 1 57 . 1 . 1 5 5 ARG HG3 H 1 1.430 0.02 . . . . . . A 5 ARG HG3 . 31146 1 58 . 1 . 1 5 5 ARG HD2 H 1 3.120 0.02 . . . . . . A 5 ARG HD2 . 31146 1 59 . 1 . 1 5 5 ARG HD3 H 1 3.060 0.02 . . . . . . A 5 ARG HD3 . 31146 1 60 . 1 . 1 5 5 ARG HE H 1 7.170 0.02 . . . . . . A 5 ARG HE . 31146 1 61 . 1 . 1 5 5 ARG CA C 13 52.200 0.30 . . . . . . A 5 ARG CA . 31146 1 62 . 1 . 1 5 5 ARG CB C 13 30.300 0.30 . . . . . . A 5 ARG CB . 31146 1 63 . 1 . 1 5 5 ARG CG C 13 24.800 0.30 . . . . . . A 5 ARG CG . 31146 1 64 . 1 . 1 5 5 ARG CD C 13 41.000 0.30 . . . . . . A 5 ARG CD . 31146 1 65 . 1 . 1 5 5 ARG N N 15 122.560 0.30 . . . . . . A 5 ARG N . 31146 1 66 . 1 . 1 6 6 ARG H H 1 8.300 0.02 . . . . . . A 6 ARG H . 31146 1 67 . 1 . 1 6 6 ARG HA H 1 4.720 0.02 . . . . . . A 6 ARG HA . 31146 1 68 . 1 . 1 6 6 ARG HB2 H 1 1.590 0.02 . . . . . . A 6 ARG HB2 . 31146 1 69 . 1 . 1 6 6 ARG HB3 H 1 1.530 0.02 . . . . . . A 6 ARG HB3 . 31146 1 70 . 1 . 1 6 6 ARG HG2 H 1 1.370 0.02 . . . . . . A 6 ARG HG2 . 31146 1 71 . 1 . 1 6 6 ARG HG3 H 1 1.250 0.02 . . . . . . A 6 ARG HG3 . 31146 1 72 . 1 . 1 6 6 ARG HD2 H 1 3.020 0.02 . . . . . . A 6 ARG HD2 . 31146 1 73 . 1 . 1 6 6 ARG HD3 H 1 3.020 0.02 . . . . . . A 6 ARG HD3 . 31146 1 74 . 1 . 1 6 6 ARG HE H 1 7.040 0.02 . . . . . . A 6 ARG HE . 31146 1 75 . 1 . 1 6 6 ARG CA C 13 53.100 0.30 . . . . . . A 6 ARG CA . 31146 1 76 . 1 . 1 6 6 ARG CB C 13 28.400 0.30 . . . . . . A 6 ARG CB . 31146 1 77 . 1 . 1 6 6 ARG CG C 13 24.600 0.30 . . . . . . A 6 ARG CG . 31146 1 78 . 1 . 1 6 6 ARG CD C 13 41.100 0.30 . . . . . . A 6 ARG CD . 31146 1 79 . 1 . 1 6 6 ARG N N 15 121.600 0.30 . . . . . . A 6 ARG N . 31146 1 80 . 1 . 1 7 7 ASP H H 1 8.680 0.02 . . . . . . A 7 ASP H . 31146 1 81 . 1 . 1 7 7 ASP HA H 1 4.770 0.02 . . . . . . A 7 ASP HA . 31146 1 82 . 1 . 1 7 7 ASP HB2 H 1 2.620 0.02 . . . . . . A 7 ASP HB2 . 31146 1 83 . 1 . 1 7 7 ASP HB3 H 1 2.620 0.02 . . . . . . A 7 ASP HB3 . 31146 1 84 . 1 . 1 7 7 ASP CA C 13 52.800 0.30 . . . . . . A 7 ASP CA . 31146 1 85 . 1 . 1 7 7 ASP CB C 13 37.500 0.30 . . . . . . A 7 ASP CB . 31146 1 86 . 1 . 1 7 7 ASP N N 15 120.470 0.30 . . . . . . A 7 ASP N . 31146 1 87 . 1 . 1 8 8 TYR H H 1 8.410 0.02 . . . . . . A 8 TYR H . 31146 1 88 . 1 . 1 8 8 TYR HA H 1 4.850 0.02 . . . . . . A 8 TYR HA . 31146 1 89 . 1 . 1 8 8 TYR HB2 H 1 2.970 0.02 . . . . . . A 8 TYR HB2 . 31146 1 90 . 1 . 1 8 8 TYR HB3 H 1 2.790 0.02 . . . . . . A 8 TYR HB3 . 31146 1 91 . 1 . 1 8 8 TYR HD1 H 1 6.970 0.02 . . . . . . A 8 TYR HD1 . 31146 1 92 . 1 . 1 8 8 TYR HD2 H 1 6.970 0.02 . . . . . . A 8 TYR HD2 . 31146 1 93 . 1 . 1 8 8 TYR HE1 H 1 6.730 0.02 . . . . . . A 8 TYR HE1 . 31146 1 94 . 1 . 1 8 8 TYR HE2 H 1 6.730 0.02 . . . . . . A 8 TYR HE2 . 31146 1 95 . 1 . 1 8 8 TYR CB C 13 37.800 0.30 . . . . . . A 8 TYR CB . 31146 1 96 . 1 . 1 8 8 TYR CD1 C 13 131.000 0.30 . . . . . . A 8 TYR CD1 . 31146 1 97 . 1 . 1 8 8 TYR CD2 C 13 131.000 0.30 . . . . . . A 8 TYR CD2 . 31146 1 98 . 1 . 1 8 8 TYR CE1 C 13 115.900 0.30 . . . . . . A 8 TYR CE1 . 31146 1 99 . 1 . 1 8 8 TYR CE2 C 13 115.900 0.30 . . . . . . A 8 TYR CE2 . 31146 1 100 . 1 . 1 8 8 TYR N N 15 119.720 0.30 . . . . . . A 8 TYR N . 31146 1 101 . 1 . 1 9 9 ARG H H 1 8.560 0.02 . . . . . . A 9 ARG H . 31146 1 102 . 1 . 1 9 9 ARG HA H 1 4.400 0.02 . . . . . . A 9 ARG HA . 31146 1 103 . 1 . 1 9 9 ARG HB2 H 1 1.850 0.02 . . . . . . A 9 ARG HB2 . 31146 1 104 . 1 . 1 9 9 ARG HB3 H 1 1.730 0.02 . . . . . . A 9 ARG HB3 . 31146 1 105 . 1 . 1 9 9 ARG HG2 H 1 1.500 0.02 . . . . . . A 9 ARG HG2 . 31146 1 106 . 1 . 1 9 9 ARG HG3 H 1 1.420 0.02 . . . . . . A 9 ARG HG3 . 31146 1 107 . 1 . 1 9 9 ARG HD2 H 1 3.110 0.02 . . . . . . A 9 ARG HD2 . 31146 1 108 . 1 . 1 9 9 ARG HD3 H 1 3.110 0.02 . . . . . . A 9 ARG HD3 . 31146 1 109 . 1 . 1 9 9 ARG HE H 1 7.180 0.02 . . . . . . A 9 ARG HE . 31146 1 110 . 1 . 1 9 9 ARG CA C 13 53.500 0.30 . . . . . . A 9 ARG CA . 31146 1 111 . 1 . 1 9 9 ARG CB C 13 28.600 0.30 . . . . . . A 9 ARG CB . 31146 1 112 . 1 . 1 9 9 ARG CG C 13 24.900 0.30 . . . . . . A 9 ARG CG . 31146 1 113 . 1 . 1 9 9 ARG CD C 13 41.000 0.30 . . . . . . A 9 ARG CD . 31146 1 114 . 1 . 1 9 9 ARG N N 15 122.970 0.30 . . . . . . A 9 ARG N . 31146 1 115 . 1 . 1 10 10 GLY H H 1 8.660 0.02 . . . . . . A 10 GLY H . 31146 1 116 . 1 . 1 10 10 GLY HA2 H 1 3.980 0.02 . . . . . . A 10 GLY HA2 . 31146 1 117 . 1 . 1 10 10 GLY HA3 H 1 3.760 0.02 . . . . . . A 10 GLY HA3 . 31146 1 118 . 1 . 1 10 10 GLY CA C 13 44.100 0.30 . . . . . . A 10 GLY CA . 31146 1 119 . 1 . 1 10 10 GLY N N 15 112.860 0.30 . . . . . . A 10 GLY N . 31146 1 120 . 1 . 1 11 11 ASP H H 1 8.640 0.02 . . . . . . A 11 ASP H . 31146 1 121 . 1 . 1 11 11 ASP HA H 1 4.720 0.02 . . . . . . A 11 ASP HA . 31146 1 122 . 1 . 1 11 11 ASP HB2 H 1 2.960 0.02 . . . . . . A 11 ASP HB2 . 31146 1 123 . 1 . 1 11 11 ASP HB3 H 1 2.960 0.02 . . . . . . A 11 ASP HB3 . 31146 1 124 . 1 . 1 11 11 ASP CA C 13 50.800 0.30 . . . . . . A 11 ASP CA . 31146 1 125 . 1 . 1 11 11 ASP CB C 13 37.900 0.30 . . . . . . A 11 ASP CB . 31146 1 126 . 1 . 1 11 11 ASP N N 15 120.460 0.30 . . . . . . A 11 ASP N . 31146 1 127 . 1 . 1 12 12 MET H H 1 8.170 0.02 . . . . . . A 12 MET H . 31146 1 128 . 1 . 1 12 12 MET HA H 1 4.610 0.02 . . . . . . A 12 MET HA . 31146 1 129 . 1 . 1 12 12 MET HB2 H 1 2.110 0.02 . . . . . . A 12 MET HB2 . 31146 1 130 . 1 . 1 12 12 MET HB3 H 1 2.110 0.02 . . . . . . A 12 MET HB3 . 31146 1 131 . 1 . 1 12 12 MET HG2 H 1 2.590 0.02 . . . . . . A 12 MET HG2 . 31146 1 132 . 1 . 1 12 12 MET HG3 H 1 2.520 0.02 . . . . . . A 12 MET HG3 . 31146 1 133 . 1 . 1 12 12 MET HE1 H 1 2.090 0.02 . . . . . . A 12 MET HE1 . 31146 1 134 . 1 . 1 12 12 MET HE2 H 1 2.090 0.02 . . . . . . A 12 MET HE2 . 31146 1 135 . 1 . 1 12 12 MET HE3 H 1 2.090 0.02 . . . . . . A 12 MET HE3 . 31146 1 136 . 1 . 1 12 12 MET CA C 13 53.100 0.30 . . . . . . A 12 MET CA . 31146 1 137 . 1 . 1 12 12 MET CB C 13 31.200 0.30 . . . . . . A 12 MET CB . 31146 1 138 . 1 . 1 12 12 MET CG C 13 29.800 0.30 . . . . . . A 12 MET CG . 31146 1 139 . 1 . 1 12 12 MET CE C 13 14.700 0.30 . . . . . . A 12 MET CE . 31146 1 140 . 1 . 1 12 12 MET N N 15 119.850 0.30 . . . . . . A 12 MET N . 31146 1 141 . 1 . 1 13 13 GLY H H 1 8.460 0.02 . . . . . . A 13 GLY H . 31146 1 142 . 1 . 1 13 13 GLY HA2 H 1 4.130 0.02 . . . . . . A 13 GLY HA2 . 31146 1 143 . 1 . 1 13 13 GLY HA3 H 1 3.440 0.02 . . . . . . A 13 GLY HA3 . 31146 1 144 . 1 . 1 13 13 GLY CA C 13 42.800 0.30 . . . . . . A 13 GLY CA . 31146 1 145 . 1 . 1 13 13 GLY N N 15 110.370 0.30 . . . . . . A 13 GLY N . 31146 1 146 . 1 . 1 14 14 PHE H H 1 8.290 0.02 . . . . . . A 14 PHE H . 31146 1 147 . 1 . 1 14 14 PHE HA H 1 4.670 0.02 . . . . . . A 14 PHE HA . 31146 1 148 . 1 . 1 14 14 PHE HB2 H 1 3.080 0.02 . . . . . . A 14 PHE HB2 . 31146 1 149 . 1 . 1 14 14 PHE HB3 H 1 2.960 0.02 . . . . . . A 14 PHE HB3 . 31146 1 150 . 1 . 1 14 14 PHE HD1 H 1 7.130 0.02 . . . . . . A 14 PHE HD1 . 31146 1 151 . 1 . 1 14 14 PHE HD2 H 1 7.130 0.02 . . . . . . A 14 PHE HD2 . 31146 1 152 . 1 . 1 14 14 PHE HE1 H 1 7.200 0.02 . . . . . . A 14 PHE HE1 . 31146 1 153 . 1 . 1 14 14 PHE HE2 H 1 7.200 0.02 . . . . . . A 14 PHE HE2 . 31146 1 154 . 1 . 1 14 14 PHE HZ H 1 7.180 0.02 . . . . . . A 14 PHE HZ . 31146 1 155 . 1 . 1 14 14 PHE CA C 13 54.800 0.30 . . . . . . A 14 PHE CA . 31146 1 156 . 1 . 1 14 14 PHE CB C 13 38.500 0.30 . . . . . . A 14 PHE CB . 31146 1 157 . 1 . 1 14 14 PHE CD1 C 13 129.000 0.30 . . . . . . A 14 PHE CD1 . 31146 1 158 . 1 . 1 14 14 PHE CD2 C 13 129.000 0.30 . . . . . . A 14 PHE CD2 . 31146 1 159 . 1 . 1 14 14 PHE CE1 C 13 130.100 0.30 . . . . . . A 14 PHE CE1 . 31146 1 160 . 1 . 1 14 14 PHE CE2 C 13 130.100 0.30 . . . . . . A 14 PHE CE2 . 31146 1 161 . 1 . 1 14 14 PHE CZ C 13 127.400 0.30 . . . . . . A 14 PHE CZ . 31146 1 162 . 1 . 1 14 14 PHE N N 15 119.510 0.30 . . . . . . A 14 PHE N . 31146 1 163 . 1 . 1 15 15 ASP H H 1 8.600 0.02 . . . . . . A 15 ASP H . 31146 1 164 . 1 . 1 15 15 ASP HA H 1 5.080 0.02 . . . . . . A 15 ASP HA . 31146 1 165 . 1 . 1 15 15 ASP HB2 H 1 2.440 0.02 . . . . . . A 15 ASP HB2 . 31146 1 166 . 1 . 1 15 15 ASP HB3 H 1 2.610 0.02 . . . . . . A 15 ASP HB3 . 31146 1 167 . 1 . 1 15 15 ASP CA C 13 50.700 0.30 . . . . . . A 15 ASP CA . 31146 1 168 . 1 . 1 15 15 ASP CB C 13 37.100 0.30 . . . . . . A 15 ASP CB . 31146 1 169 . 1 . 1 15 15 ASP N N 15 119.980 0.30 . . . . . . A 15 ASP N . 31146 1 170 . 1 . 1 16 16 TYR H H 1 8.540 0.02 . . . . . . A 16 TYR H . 31146 1 171 . 1 . 1 16 16 TYR HA H 1 4.720 0.02 . . . . . . A 16 TYR HA . 31146 1 172 . 1 . 1 16 16 TYR HB2 H 1 3.010 0.02 . . . . . . A 16 TYR HB2 . 31146 1 173 . 1 . 1 16 16 TYR HB3 H 1 2.980 0.02 . . . . . . A 16 TYR HB3 . 31146 1 174 . 1 . 1 16 16 TYR HD1 H 1 6.860 0.02 . . . . . . A 16 TYR HD1 . 31146 1 175 . 1 . 1 16 16 TYR HD2 H 1 6.860 0.02 . . . . . . A 16 TYR HD2 . 31146 1 176 . 1 . 1 16 16 TYR HE1 H 1 6.530 0.02 . . . . . . A 16 TYR HE1 . 31146 1 177 . 1 . 1 16 16 TYR HE2 H 1 6.530 0.02 . . . . . . A 16 TYR HE2 . 31146 1 178 . 1 . 1 16 16 TYR CA C 13 54.700 0.30 . . . . . . A 16 TYR CA . 31146 1 179 . 1 . 1 16 16 TYR CB C 13 35.900 0.30 . . . . . . A 16 TYR CB . 31146 1 180 . 1 . 1 16 16 TYR CD1 C 13 131.400 0.30 . . . . . . A 16 TYR CD1 . 31146 1 181 . 1 . 1 16 16 TYR CD2 C 13 131.400 0.30 . . . . . . A 16 TYR CD2 . 31146 1 182 . 1 . 1 16 16 TYR CE1 C 13 115.700 0.30 . . . . . . A 16 TYR CE1 . 31146 1 183 . 1 . 1 16 16 TYR CE2 C 13 115.700 0.30 . . . . . . A 16 TYR CE2 . 31146 1 184 . 1 . 1 16 16 TYR N N 15 121.060 0.30 . . . . . . A 16 TYR N . 31146 1 185 . 1 . 1 17 17 TRP H H 1 8.610 0.02 . . . . . . A 17 TRP H . 31146 1 186 . 1 . 1 17 17 TRP HA H 1 5.300 0.02 . . . . . . A 17 TRP HA . 31146 1 187 . 1 . 1 17 17 TRP HB2 H 1 3.270 0.02 . . . . . . A 17 TRP HB2 . 31146 1 188 . 1 . 1 17 17 TRP HB3 H 1 2.960 0.02 . . . . . . A 17 TRP HB3 . 31146 1 189 . 1 . 1 17 17 TRP HD1 H 1 7.100 0.02 . . . . . . A 17 TRP HD1 . 31146 1 190 . 1 . 1 17 17 TRP HE1 H 1 10.140 0.02 . . . . . . A 17 TRP HE1 . 31146 1 191 . 1 . 1 17 17 TRP HE3 H 1 7.650 0.02 . . . . . . A 17 TRP HE3 . 31146 1 192 . 1 . 1 17 17 TRP HZ2 H 1 7.410 0.02 . . . . . . A 17 TRP HZ2 . 31146 1 193 . 1 . 1 17 17 TRP HZ3 H 1 7.030 0.02 . . . . . . A 17 TRP HZ3 . 31146 1 194 . 1 . 1 17 17 TRP HH2 H 1 7.210 0.02 . . . . . . A 17 TRP HH2 . 31146 1 195 . 1 . 1 17 17 TRP CA C 13 54.800 0.30 . . . . . . A 17 TRP CA . 31146 1 196 . 1 . 1 17 17 TRP CB C 13 29.800 0.30 . . . . . . A 17 TRP CB . 31146 1 197 . 1 . 1 17 17 TRP CD1 C 13 125.000 0.30 . . . . . . A 17 TRP CD1 . 31146 1 198 . 1 . 1 17 17 TRP CE3 C 13 118.100 0.30 . . . . . . A 17 TRP CE3 . 31146 1 199 . 1 . 1 17 17 TRP CZ2 C 13 112.700 0.30 . . . . . . A 17 TRP CZ2 . 31146 1 200 . 1 . 1 17 17 TRP CZ3 C 13 120.000 0.30 . . . . . . A 17 TRP CZ3 . 31146 1 201 . 1 . 1 17 17 TRP CH2 C 13 122.300 0.30 . . . . . . A 17 TRP CH2 . 31146 1 202 . 1 . 1 17 17 TRP N N 15 122.170 0.30 . . . . . . A 17 TRP N . 31146 1 203 . 1 . 1 18 18 VAL H H 1 9.540 0.02 . . . . . . A 18 VAL H . 31146 1 204 . 1 . 1 18 18 VAL HA H 1 4.980 0.02 . . . . . . A 18 VAL HA . 31146 1 205 . 1 . 1 18 18 VAL HB H 1 2.170 0.02 . . . . . . A 18 VAL HB . 31146 1 206 . 1 . 1 18 18 VAL HG11 H 1 1.040 0.02 . . . . . . A 18 VAL HG11 . 31146 1 207 . 1 . 1 18 18 VAL HG12 H 1 1.040 0.02 . . . . . . A 18 VAL HG12 . 31146 1 208 . 1 . 1 18 18 VAL HG13 H 1 1.040 0.02 . . . . . . A 18 VAL HG13 . 31146 1 209 . 1 . 1 18 18 VAL HG21 H 1 0.970 0.02 . . . . . . A 18 VAL HG21 . 31146 1 210 . 1 . 1 18 18 VAL HG22 H 1 0.970 0.02 . . . . . . A 18 VAL HG22 . 31146 1 211 . 1 . 1 18 18 VAL HG23 H 1 0.970 0.02 . . . . . . A 18 VAL HG23 . 31146 1 212 . 1 . 1 18 18 VAL CA C 13 58.000 0.30 . . . . . . A 18 VAL CA . 31146 1 213 . 1 . 1 18 18 VAL CB C 13 28.300 0.30 . . . . . . A 18 VAL CB . 31146 1 214 . 1 . 1 18 18 VAL CG1 C 13 19.300 0.30 . . . . . . A 18 VAL CG1 . 31146 1 215 . 1 . 1 18 18 VAL CG2 C 13 18.700 0.30 . . . . . . A 18 VAL CG2 . 31146 1 216 . 1 . 1 19 19 TRP H H 1 8.900 0.02 . . . . . . A 19 TRP H . 31146 1 217 . 1 . 1 19 19 TRP HA H 1 4.590 0.02 . . . . . . A 19 TRP HA . 31146 1 218 . 1 . 1 19 19 TRP HB2 H 1 2.180 0.02 . . . . . . A 19 TRP HB2 . 31146 1 219 . 1 . 1 19 19 TRP HB3 H 1 2.900 0.02 . . . . . . A 19 TRP HB3 . 31146 1 220 . 1 . 1 19 19 TRP HD1 H 1 6.940 0.02 . . . . . . A 19 TRP HD1 . 31146 1 221 . 1 . 1 19 19 TRP HE1 H 1 10.140 0.02 . . . . . . A 19 TRP HE1 . 31146 1 222 . 1 . 1 19 19 TRP HE3 H 1 5.190 0.02 . . . . . . A 19 TRP HE3 . 31146 1 223 . 1 . 1 19 19 TRP HZ2 H 1 7.410 0.02 . . . . . . A 19 TRP HZ2 . 31146 1 224 . 1 . 1 19 19 TRP HZ3 H 1 6.490 0.02 . . . . . . A 19 TRP HZ3 . 31146 1 225 . 1 . 1 19 19 TRP HH2 H 1 7.100 0.02 . . . . . . A 19 TRP HH2 . 31146 1 226 . 1 . 1 19 19 TRP CA C 13 54.300 0.30 . . . . . . A 19 TRP CA . 31146 1 227 . 1 . 1 19 19 TRP CB C 13 26.600 0.30 . . . . . . A 19 TRP CB . 31146 1 228 . 1 . 1 19 19 TRP CD1 C 13 125.900 0.30 . . . . . . A 19 TRP CD1 . 31146 1 229 . 1 . 1 19 19 TRP CZ2 C 13 112.700 0.30 . . . . . . A 19 TRP CZ2 . 31146 1 230 . 1 . 1 19 19 TRP CZ3 C 13 118.400 0.30 . . . . . . A 19 TRP CZ3 . 31146 1 231 . 1 . 1 19 19 TRP CH2 C 13 121.600 0.30 . . . . . . A 19 TRP CH2 . 31146 1 232 . 1 . 1 19 19 TRP N N 15 126.550 0.30 . . . . . . A 19 TRP N . 31146 1 233 . 1 . 1 20 20 GLU H H 1 8.100 0.02 . . . . . . A 20 GLU H . 31146 1 234 . 1 . 1 20 20 GLU HA H 1 4.250 0.02 . . . . . . A 20 GLU HA . 31146 1 235 . 1 . 1 20 20 GLU HB2 H 1 1.600 0.02 . . . . . . A 20 GLU HB2 . 31146 1 236 . 1 . 1 20 20 GLU HB3 H 1 1.940 0.02 . . . . . . A 20 GLU HB3 . 31146 1 237 . 1 . 1 20 20 GLU HG2 H 1 2.210 0.02 . . . . . . A 20 GLU HG2 . 31146 1 238 . 1 . 1 20 20 GLU HG3 H 1 2.210 0.02 . . . . . . A 20 GLU HG3 . 31146 1 239 . 1 . 1 20 20 GLU CA C 13 53.200 0.30 . . . . . . A 20 GLU CA . 31146 1 240 . 1 . 1 20 20 GLU CB C 13 28.600 0.30 . . . . . . A 20 GLU CB . 31146 1 241 . 1 . 1 20 20 GLU CG C 13 30.800 0.30 . . . . . . A 20 GLU CG . 31146 1 242 . 1 . 1 20 20 GLU N N 15 128.070 0.30 . . . . . . A 20 GLU N . 31146 1 stop_ save_