################################### # 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 16506 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16506 1 2 '3D 1H-15N TOCSY' . . . 16506 1 3 '3D CBCA(CO)NH' . . . 16506 1 4 '3D HNCACB' . . . 16506 1 5 '3D C(CO)NH' . . . 16506 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 6 6 ASP CA C 13 58.360 0.4 . 1 . . . . 6 D CA . 16506 1 2 . 1 1 6 6 ASP CB C 13 40.660 0.4 . 1 . . . . 6 D CB . 16506 1 3 . 1 1 7 7 ASP H H 1 8.193 0.03 . 1 . . . . 7 D H . 16506 1 4 . 1 1 7 7 ASP CA C 13 57.570 0.4 . 1 . . . . 7 D CA . 16506 1 5 . 1 1 7 7 ASP CB C 13 41.480 0.4 . 1 . . . . 7 D CB . 16506 1 6 . 1 1 7 7 ASP N N 15 118.286 0.3 . 1 . . . . 7 D N . 16506 1 7 . 1 1 8 8 ILE H H 1 8.740 0.03 . 1 . . . . 8 I H . 16506 1 8 . 1 1 8 8 ILE CA C 13 65.850 0.4 . 1 . . . . 8 I CA . 16506 1 9 . 1 1 8 8 ILE CB C 13 37.850 0.4 . 1 . . . . 8 I CB . 16506 1 10 . 1 1 8 8 ILE N N 15 121.200 0.3 . 1 . . . . 8 I N . 16506 1 11 . 1 1 9 9 LYS H H 1 8.650 0.03 . 1 . . . . 9 K H . 16506 1 12 . 1 1 9 9 LYS CA C 13 61.160 0.4 . 1 . . . . 9 K CA . 16506 1 13 . 1 1 9 9 LYS CB C 13 32.410 0.4 . 1 . . . . 9 K CB . 16506 1 14 . 1 1 9 9 LYS N N 15 122.000 0.3 . 1 . . . . 9 K N . 16506 1 15 . 1 1 10 10 LYS H H 1 7.400 0.03 . 1 . . . . 10 K H . 16506 1 16 . 1 1 10 10 LYS CA C 13 59.710 0.4 . 1 . . . . 10 K CA . 16506 1 17 . 1 1 10 10 LYS CB C 13 32.330 0.4 . 1 . . . . 10 K CB . 16506 1 18 . 1 1 10 10 LYS N N 15 117.716 0.3 . 1 . . . . 10 K N . 16506 1 19 . 1 1 11 11 ILE H H 1 7.300 0.03 . 1 . . . . 11 I H . 16506 1 20 . 1 1 11 11 ILE CA C 13 64.610 0.4 . 1 . . . . 11 I CA . 16506 1 21 . 1 1 11 11 ILE N N 15 119.400 0.3 . 1 . . . . 11 I N . 16506 1 22 . 1 1 12 12 ILE H H 1 8.540 0.03 . 1 . . . . 12 I H . 16506 1 23 . 1 1 12 12 ILE CA C 13 65.860 0.4 . 1 . . . . 12 I CA . 16506 1 24 . 1 1 12 12 ILE CB C 13 38.340 0.4 . 1 . . . . 12 I CB . 16506 1 25 . 1 1 12 12 ILE N N 15 119.500 0.3 . 1 . . . . 12 I N . 16506 1 26 . 1 1 13 13 SER H H 1 8.460 0.03 . 1 . . . . 13 S H . 16506 1 27 . 1 1 13 13 SER CA C 13 61.020 0.4 . 1 . . . . 13 S CA . 16506 1 28 . 1 1 13 13 SER CB C 13 63.990 0.4 . 1 . . . . 13 S CB . 16506 1 29 . 1 1 13 13 SER N N 15 113.600 0.3 . 1 . . . . 13 S N . 16506 1 30 . 1 1 14 14 LYS H H 1 7.520 0.03 . 1 . . . . 14 K H . 16506 1 31 . 1 1 14 14 LYS CA C 13 58.510 0.4 . 1 . . . . 14 K CA . 16506 1 32 . 1 1 14 14 LYS CB C 13 32.480 0.4 . 1 . . . . 14 K CB . 16506 1 33 . 1 1 14 14 LYS N N 15 118.400 0.3 . 1 . . . . 14 K N . 16506 1 34 . 1 1 15 15 GLN H H 1 8.160 0.03 . 1 . . . . 15 Q H . 16506 1 35 . 1 1 15 15 GLN CA C 13 58.030 0.4 . 1 . . . . 15 Q CA . 16506 1 36 . 1 1 15 15 GLN CB C 13 29.060 0.4 . 1 . . . . 15 Q CB . 16506 1 37 . 1 1 15 15 GLN N N 15 117.100 0.3 . 1 . . . . 15 Q N . 16506 1 38 . 1 1 16 16 LEU H H 1 8.430 0.03 . 1 . . . . 16 L H . 16506 1 39 . 1 1 16 16 LEU CA C 13 54.030 0.4 . 1 . . . . 16 L CA . 16506 1 40 . 1 1 16 16 LEU CB C 13 41.640 0.4 . 1 . . . . 16 L CB . 16506 1 41 . 1 1 16 16 LEU N N 15 113.400 0.3 . 1 . . . . 16 L N . 16506 1 42 . 1 1 17 17 SER H H 1 7.760 0.03 . 1 . . . . 17 S H . 16506 1 43 . 1 1 17 17 SER CA C 13 61.330 0.4 . 1 . . . . 17 S CA . 16506 1 44 . 1 1 17 17 SER CB C 13 58.740 0.4 . 1 . . . . 17 S CB . 16506 1 45 . 1 1 17 17 SER N N 15 114.200 0.3 . 1 . . . . 17 S N . 16506 1 46 . 1 1 18 18 VAL H H 1 7.320 0.03 . 1 . . . . 18 V H . 16506 1 47 . 1 1 18 18 VAL CA C 13 58.830 0.4 . 1 . . . . 18 V CA . 16506 1 48 . 1 1 18 18 VAL CB C 13 35.130 0.4 . 1 . . . . 18 V CB . 16506 1 49 . 1 1 18 18 VAL N N 15 115.100 0.3 . 1 . . . . 18 V N . 16506 1 50 . 1 1 19 19 GLU H H 1 8.800 0.03 . 1 . . . . 19 E H . 16506 1 51 . 1 1 19 19 GLU CA C 13 57.250 0.4 . 1 . . . . 19 E CA . 16506 1 52 . 1 1 19 19 GLU CB C 13 29.900 0.4 . 1 . . . . 19 E CB . 16506 1 53 . 1 1 19 19 GLU N N 15 126.200 0.3 . 1 . . . . 19 E N . 16506 1 54 . 1 1 20 20 GLU H H 1 8.846 0.03 . 1 . . . . 20 E H . 16506 1 55 . 1 1 20 20 GLU CA C 13 60.540 0.4 . 1 . . . . 20 E CA . 16506 1 56 . 1 1 20 20 GLU CB C 13 30.070 0.4 . 1 . . . . 20 E CB . 16506 1 57 . 1 1 20 20 GLU N N 15 122.600 0.3 . 1 . . . . 20 E N . 16506 1 58 . 1 1 21 21 ASP H H 1 8.380 0.03 . 1 . . . . 21 D H . 16506 1 59 . 1 1 21 21 ASP CA C 13 55.700 0.4 . 1 . . . . 21 D CA . 16506 1 60 . 1 1 21 21 ASP CB C 13 40.080 0.4 . 1 . . . . 21 D CB . 16506 1 61 . 1 1 21 21 ASP N N 15 114.100 0.3 . 1 . . . . 21 D N . 16506 1 62 . 1 1 22 22 LYS H H 1 7.660 0.03 . 1 . . . . 22 K H . 16506 1 63 . 1 1 22 22 LYS CA C 13 55.860 0.4 . 1 . . . . 22 K CA . 16506 1 64 . 1 1 22 22 LYS CB C 13 32.700 0.4 . 1 . . . . 22 K CB . 16506 1 65 . 1 1 22 22 LYS N N 15 117.200 0.3 . 1 . . . . 22 K N . 16506 1 66 . 1 1 23 23 ILE H H 1 7.410 0.03 . 1 . . . . 23 I H . 16506 1 67 . 1 1 23 23 ILE CA C 13 62.550 0.4 . 1 . . . . 23 I CA . 16506 1 68 . 1 1 23 23 ILE CB C 13 37.860 0.4 . 1 . . . . 23 I CB . 16506 1 69 . 1 1 23 23 ILE N N 15 119.800 0.3 . 1 . . . . 23 I N . 16506 1 70 . 1 1 24 24 GLN H H 1 8.800 0.03 . 1 . . . . 24 Q H . 16506 1 71 . 1 1 24 24 GLN CA C 13 53.050 0.4 . 1 . . . . 24 Q CA . 16506 1 72 . 1 1 24 24 GLN CB C 13 31.000 0.4 . 1 . . . . 24 Q CB . 16506 1 73 . 1 1 24 24 GLN N N 15 125.000 0.3 . 1 . . . . 24 Q N . 16506 1 74 . 1 1 25 25 MET H H 1 8.850 0.03 . 1 . . . . 25 M H . 16506 1 75 . 1 1 25 25 MET CA C 13 58.660 0.4 . 1 . . . . 25 M CA . 16506 1 76 . 1 1 25 25 MET CB C 13 31.940 0.4 . 1 . . . . 25 M CB . 16506 1 77 . 1 1 25 25 MET N N 15 120.100 0.3 . 1 . . . . 25 M N . 16506 1 78 . 1 1 26 26 ASN H H 1 7.760 0.03 . 1 . . . . 26 N H . 16506 1 79 . 1 1 26 26 ASN CA C 13 51.630 0.4 . 1 . . . . 26 N CA . 16506 1 80 . 1 1 26 26 ASN CB C 13 37.730 0.4 . 1 . . . . 26 N CB . 16506 1 81 . 1 1 26 26 ASN N N 15 109.400 0.3 . 1 . . . . 26 N N . 16506 1 82 . 1 1 27 27 SER H H 1 7.650 0.03 . 1 . . . . 27 S H . 16506 1 83 . 1 1 27 27 SER CA C 13 61.550 0.4 . 1 . . . . 27 S CA . 16506 1 84 . 1 1 27 27 SER N N 15 117.000 0.3 . 1 . . . . 27 S N . 16506 1 85 . 1 1 28 28 ASN H H 1 10.340 0.03 . 1 . . . . 28 N H . 16506 1 86 . 1 1 28 28 ASN CA C 13 52.410 0.4 . 1 . . . . 28 N CA . 16506 1 87 . 1 1 28 28 ASN CB C 13 40.840 0.4 . 1 . . . . 28 N CB . 16506 1 88 . 1 1 28 28 ASN N N 15 125.900 0.3 . 1 . . . . 28 N N . 16506 1 89 . 1 1 29 29 PHE H H 1 7.850 0.03 . 1 . . . . 29 F H . 16506 1 90 . 1 1 29 29 PHE CA C 13 62.560 0.4 . 1 . . . . 29 F CA . 16506 1 91 . 1 1 29 29 PHE CB C 13 39.000 0.4 . 1 . . . . 29 F CB . 16506 1 92 . 1 1 29 29 PHE N N 15 125.300 0.3 . 1 . . . . 29 F N . 16506 1 93 . 1 1 30 30 THR H H 1 8.510 0.03 . 1 . . . . 30 T H . 16506 1 94 . 1 1 30 30 THR CA C 13 64.000 0.4 . 1 . . . . 30 T CA . 16506 1 95 . 1 1 30 30 THR CB C 13 69.300 0.4 . 1 . . . . 30 T CB . 16506 1 96 . 1 1 30 30 THR N N 15 109.700 0.3 . 1 . . . . 30 T N . 16506 1 97 . 1 1 31 31 LYS H H 1 8.360 0.03 . 1 . . . . 31 K H . 16506 1 98 . 1 1 31 31 LYS CA C 13 58.660 0.4 . 1 . . . . 31 K CA . 16506 1 99 . 1 1 31 31 LYS CB C 13 33.520 0.4 . 1 . . . . 31 K CB . 16506 1 100 . 1 1 31 31 LYS N N 15 121.100 0.3 . 1 . . . . 31 K N . 16506 1 101 . 1 1 32 32 ASP H H 1 8.180 0.03 . 1 . . . . 32 D H . 16506 1 102 . 1 1 32 32 ASP CA C 13 55.920 0.4 . 1 . . . . 32 D CA . 16506 1 103 . 1 1 32 32 ASP CB C 13 42.580 0.4 . 1 . . . . 32 D CB . 16506 1 104 . 1 1 32 32 ASP N N 15 113.400 0.3 . 1 . . . . 32 D N . 16506 1 105 . 1 1 33 33 LEU H H 1 7.080 0.03 . 1 . . . . 33 L H . 16506 1 106 . 1 1 33 33 LEU CA C 13 54.310 0.4 . 1 . . . . 33 L CA . 16506 1 107 . 1 1 33 33 LEU CB C 13 41.790 0.4 . 1 . . . . 33 L CB . 16506 1 108 . 1 1 33 33 LEU N N 15 114.300 0.3 . 1 . . . . 33 L N . 16506 1 109 . 1 1 34 34 GLY H H 1 7.260 0.03 . 1 . . . . 34 G H . 16506 1 110 . 1 1 34 34 GLY CA C 13 46.640 0.4 . 1 . . . . 34 G CA . 16506 1 111 . 1 1 34 34 GLY N N 15 105.500 0.3 . 1 . . . . 34 G N . 16506 1 112 . 1 1 35 35 ALA H H 1 8.270 0.03 . 1 . . . . 35 A H . 16506 1 113 . 1 1 35 35 ALA CA C 13 52.290 0.4 . 1 . . . . 35 A CA . 16506 1 114 . 1 1 35 35 ALA CB C 13 19.980 0.4 . 1 . . . . 35 A CB . 16506 1 115 . 1 1 35 35 ALA N N 15 122.200 0.3 . 1 . . . . 35 A N . 16506 1 116 . 1 1 36 36 ASP H H 1 9.290 0.03 . 1 . . . . 36 D H . 16506 1 117 . 1 1 36 36 ASP CA C 13 51.790 0.4 . 1 . . . . 36 D CA . 16506 1 118 . 1 1 36 36 ASP CB C 13 41.950 0.4 . 1 . . . . 36 D CB . 16506 1 119 . 1 1 36 36 ASP N N 15 123.300 0.3 . 1 . . . . 36 D N . 16506 1 120 . 1 1 37 37 SER H H 1 8.670 0.03 . 1 . . . . 37 S H . 16506 1 121 . 1 1 37 37 SER CA C 13 60.980 0.4 . 1 . . . . 37 S CA . 16506 1 122 . 1 1 37 37 SER CB C 13 65.610 0.4 . 1 . . . . 37 S CB . 16506 1 123 . 1 1 37 37 SER N N 15 112.500 0.3 . 1 . . . . 37 S N . 16506 1 124 . 1 1 38 38 LEU H H 1 7.870 0.03 . 1 . . . . 38 L H . 16506 1 125 . 1 1 38 38 LEU N N 15 123.600 0.3 . 1 . . . . 38 L N . 16506 1 126 . 1 1 40 40 LEU CA C 13 58.190 0.4 . 1 . . . . 40 L CA . 16506 1 127 . 1 1 41 41 VAL H H 1 7.397 0.03 . 1 . . . . 41 V H . 16506 1 128 . 1 1 41 41 VAL CA C 13 66.790 0.4 . 1 . . . . 41 V CA . 16506 1 129 . 1 1 41 41 VAL CB C 13 31.940 0.4 . 1 . . . . 41 V CB . 16506 1 130 . 1 1 41 41 VAL N N 15 118.590 0.3 . 1 . . . . 41 V N . 16506 1 131 . 1 1 42 42 GLU H H 1 7.760 0.03 . 1 . . . . 42 E H . 16506 1 132 . 1 1 42 42 GLU CA C 13 59.440 0.4 . 1 . . . . 42 E CA . 16506 1 133 . 1 1 42 42 GLU CB C 13 29.160 0.4 . 1 . . . . 42 E CB . 16506 1 134 . 1 1 42 42 GLU N N 15 118.500 0.3 . 1 . . . . 42 E N . 16506 1 135 . 1 1 43 43 LEU H H 1 8.600 0.03 . 1 . . . . 43 L H . 16506 1 136 . 1 1 43 43 LEU CA C 13 58.210 0.4 . 1 . . . . 43 L CA . 16506 1 137 . 1 1 43 43 LEU CB C 13 42.020 0.4 . 1 . . . . 43 L CB . 16506 1 138 . 1 1 43 43 LEU N N 15 122.400 0.3 . 1 . . . . 43 L N . 16506 1 139 . 1 1 44 44 ILE H H 1 8.290 0.03 . 1 . . . . 44 I H . 16506 1 140 . 1 1 44 44 ILE CA C 13 64.830 0.4 . 1 . . . . 44 I CA . 16506 1 141 . 1 1 44 44 ILE N N 15 119.800 0.3 . 1 . . . . 44 I N . 16506 1 142 . 1 1 45 45 MET H H 1 7.753 0.03 . 1 . . . . 45 M H . 16506 1 143 . 1 1 45 45 MET CA C 13 59.290 0.4 . 1 . . . . 45 M CA . 16506 1 144 . 1 1 45 45 MET CB C 13 33.020 0.4 . 1 . . . . 45 M CB . 16506 1 145 . 1 1 45 45 MET N N 15 117.605 0.3 . 1 . . . . 45 M N . 16506 1 146 . 1 1 46 46 ALA H H 1 7.970 0.03 . 1 . . . . 46 A H . 16506 1 147 . 1 1 46 46 ALA CA C 13 55.120 0.4 . 1 . . . . 46 A CA . 16506 1 148 . 1 1 46 46 ALA CB C 13 18.650 0.4 . 1 . . . . 46 A CB . 16506 1 149 . 1 1 46 46 ALA N N 15 121.900 0.3 . 1 . . . . 46 A N . 16506 1 150 . 1 1 47 47 LEU H H 1 8.520 0.03 . 1 . . . . 47 L H . 16506 1 151 . 1 1 47 47 LEU CA C 13 58.110 0.4 . 1 . . . . 47 L CA . 16506 1 152 . 1 1 47 47 LEU CB C 13 41.960 0.4 . 1 . . . . 47 L CB . 16506 1 153 . 1 1 47 47 LEU N N 15 119.800 0.3 . 1 . . . . 47 L N . 16506 1 154 . 1 1 48 48 GLU H H 1 8.540 0.03 . 1 . . . . 48 E H . 16506 1 155 . 1 1 48 48 GLU CA C 13 60.070 0.4 . 1 . . . . 48 E CA . 16506 1 156 . 1 1 48 48 GLU CB C 13 30.270 0.4 . 1 . . . . 48 E CB . 16506 1 157 . 1 1 48 48 GLU N N 15 118.900 0.3 . 1 . . . . 48 E N . 16506 1 158 . 1 1 49 49 GLU H H 1 7.860 0.03 . 1 . . . . 49 E H . 16506 1 159 . 1 1 49 49 GLU CA C 13 58.660 0.4 . 1 . . . . 49 E CA . 16506 1 160 . 1 1 49 49 GLU CB C 13 30.150 0.4 . 1 . . . . 49 E CB . 16506 1 161 . 1 1 49 49 GLU N N 15 117.000 0.3 . 1 . . . . 49 E N . 16506 1 162 . 1 1 50 50 LYS H H 1 8.010 0.03 . 1 . . . . 50 K H . 16506 1 163 . 1 1 50 50 LYS CA C 13 57.580 0.4 . 1 . . . . 50 K CA . 16506 1 164 . 1 1 50 50 LYS CB C 13 32.260 0.4 . 1 . . . . 50 K CB . 16506 1 165 . 1 1 50 50 LYS N N 15 117.600 0.3 . 1 . . . . 50 K N . 16506 1 166 . 1 1 51 51 PHE H H 1 8.070 0.03 . 1 . . . . 51 F H . 16506 1 167 . 1 1 51 51 PHE CA C 13 58.050 0.4 . 1 . . . . 51 F CA . 16506 1 168 . 1 1 51 51 PHE CB C 13 39.460 0.4 . 1 . . . . 51 F CB . 16506 1 169 . 1 1 51 51 PHE N N 15 112.200 0.3 . 1 . . . . 51 F N . 16506 1 170 . 1 1 52 52 ASN H H 1 7.900 0.03 . 1 . . . . 52 N H . 16506 1 171 . 1 1 52 52 ASN CA C 13 54.530 0.4 . 1 . . . . 52 N CA . 16506 1 172 . 1 1 52 52 ASN CB C 13 37.010 0.4 . 1 . . . . 52 N CB . 16506 1 173 . 1 1 52 52 ASN N N 15 118.100 0.3 . 1 . . . . 52 N N . 16506 1 174 . 1 1 53 53 VAL H H 1 7.604 0.03 . 1 . . . . 53 V H . 16506 1 175 . 1 1 53 53 VAL CA C 13 59.000 0.4 . 1 . . . . 53 V CA . 16506 1 176 . 1 1 53 53 VAL CB C 13 35.690 0.4 . 1 . . . . 53 V CB . 16506 1 177 . 1 1 53 53 VAL N N 15 109.828 0.3 . 1 . . . . 53 V N . 16506 1 178 . 1 1 54 54 THR H H 1 8.430 0.03 . 1 . . . . 54 T H . 16506 1 179 . 1 1 54 54 THR CA C 13 61.320 0.4 . 1 . . . . 54 T CA . 16506 1 180 . 1 1 54 54 THR CB C 13 70.380 0.4 . 1 . . . . 54 T CB . 16506 1 181 . 1 1 54 54 THR N N 15 116.900 0.3 . 1 . . . . 54 T N . 16506 1 182 . 1 1 55 55 ILE H H 1 9.770 0.03 . 1 . . . . 55 I H . 16506 1 183 . 1 1 55 55 ILE CA C 13 60.940 0.4 . 1 . . . . 55 I CA . 16506 1 184 . 1 1 55 55 ILE CB C 13 38.160 0.4 . 1 . . . . 55 I CB . 16506 1 185 . 1 1 55 55 ILE N N 15 129.600 0.3 . 1 . . . . 55 I N . 16506 1 186 . 1 1 56 56 SER H H 1 8.927 0.03 . 1 . . . . 56 S H . 16506 1 187 . 1 1 56 56 SER CA C 13 57.580 0.4 . 1 . . . . 56 S CA . 16506 1 188 . 1 1 56 56 SER CB C 13 64.770 0.4 . 1 . . . . 56 S CB . 16506 1 189 . 1 1 56 56 SER N N 15 124.400 0.3 . 1 . . . . 56 S N . 16506 1 190 . 1 1 57 57 ASP H H 1 8.830 0.03 . 1 . . . . 57 D H . 16506 1 191 . 1 1 57 57 ASP CA C 13 57.740 0.4 . 1 . . . . 57 D CA . 16506 1 192 . 1 1 57 57 ASP CB C 13 39.580 0.4 . 1 . . . . 57 D CB . 16506 1 193 . 1 1 57 57 ASP N N 15 121.600 0.3 . 1 . . . . 57 D N . 16506 1 194 . 1 1 58 58 GLN H H 1 8.130 0.03 . 1 . . . . 58 Q H . 16506 1 195 . 1 1 58 58 GLN CA C 13 58.670 0.4 . 1 . . . . 58 Q CA . 16506 1 196 . 1 1 58 58 GLN CB C 13 28.500 0.4 . 1 . . . . 58 Q CB . 16506 1 197 . 1 1 58 58 GLN N N 15 116.300 0.3 . 1 . . . . 58 Q N . 16506 1 198 . 1 1 59 59 ASP H H 1 7.690 0.03 . 1 . . . . 59 D H . 16506 1 199 . 1 1 59 59 ASP CA C 13 56.790 0.4 . 1 . . . . 59 D CA . 16506 1 200 . 1 1 59 59 ASP CB C 13 40.460 0.4 . 1 . . . . 59 D CB . 16506 1 201 . 1 1 59 59 ASP N N 15 120.400 0.3 . 1 . . . . 59 D N . 16506 1 202 . 1 1 60 60 ALA H H 1 8.490 0.03 . 1 . . . . 60 A H . 16506 1 203 . 1 1 60 60 ALA CA C 13 55.210 0.4 . 1 . . . . 60 A CA . 16506 1 204 . 1 1 60 60 ALA CB C 13 18.180 0.4 . 1 . . . . 60 A CB . 16506 1 205 . 1 1 60 60 ALA N N 15 122.600 0.3 . 1 . . . . 60 A N . 16506 1 206 . 1 1 61 61 LEU H H 1 7.120 0.03 . 1 . . . . 61 L H . 16506 1 207 . 1 1 61 61 LEU CA C 13 56.480 0.4 . 1 . . . . 61 L CA . 16506 1 208 . 1 1 61 61 LEU CB C 13 42.400 0.4 . 1 . . . . 61 L CB . 16506 1 209 . 1 1 61 61 LEU N N 15 114.400 0.3 . 1 . . . . 61 L N . 16506 1 210 . 1 1 62 62 LYS H H 1 7.280 0.03 . 1 . . . . 62 K H . 16506 1 211 . 1 1 62 62 LYS CA C 13 55.550 0.4 . 1 . . . . 62 K CA . 16506 1 212 . 1 1 62 62 LYS CB C 13 32.760 0.4 . 1 . . . . 62 K CB . 16506 1 213 . 1 1 62 62 LYS N N 15 115.400 0.3 . 1 . . . . 62 K N . 16506 1 214 . 1 1 63 63 ILE H H 1 7.320 0.03 . 1 . . . . 63 I H . 16506 1 215 . 1 1 63 63 ILE CA C 13 61.190 0.4 . 1 . . . . 63 I CA . 16506 1 216 . 1 1 63 63 ILE CB C 13 36.950 0.4 . 1 . . . . 63 I CB . 16506 1 217 . 1 1 63 63 ILE N N 15 121.600 0.3 . 1 . . . . 63 I N . 16506 1 218 . 1 1 64 64 ASN H H 1 9.120 0.03 . 1 . . . . 64 N H . 16506 1 219 . 1 1 64 64 ASN CA C 13 54.910 0.4 . 1 . . . . 64 N CA . 16506 1 220 . 1 1 64 64 ASN CB C 13 41.950 0.4 . 1 . . . . 64 N CB . 16506 1 221 . 1 1 64 64 ASN N N 15 123.500 0.3 . 1 . . . . 64 N N . 16506 1 222 . 1 1 65 65 THR H H 1 8.390 0.03 . 1 . . . . 65 T H . 16506 1 223 . 1 1 65 65 THR CA C 13 58.490 0.4 . 1 . . . . 65 T CA . 16506 1 224 . 1 1 65 65 THR CB C 13 74.060 0.4 . 1 . . . . 65 T CB . 16506 1 225 . 1 1 65 65 THR N N 15 110.300 0.3 . 1 . . . . 65 T N . 16506 1 226 . 1 1 66 66 VAL H H 1 7.740 0.03 . 1 . . . . 66 V H . 16506 1 227 . 1 1 66 66 VAL CA C 13 67.600 0.4 . 1 . . . . 66 V CA . 16506 1 228 . 1 1 66 66 VAL N N 15 120.700 0.3 . 1 . . . . 66 V N . 16506 1 229 . 1 1 67 67 GLN H H 1 8.270 0.03 . 1 . . . . 67 Q H . 16506 1 230 . 1 1 67 67 GLN CA C 13 58.810 0.4 . 1 . . . . 67 Q CA . 16506 1 231 . 1 1 67 67 GLN CB C 13 28.420 0.4 . 1 . . . . 67 Q CB . 16506 1 232 . 1 1 67 67 GLN N N 15 119.200 0.3 . 1 . . . . 67 Q N . 16506 1 233 . 1 1 68 68 ASP H H 1 7.850 0.03 . 1 . . . . 68 D H . 16506 1 234 . 1 1 68 68 ASP CA C 13 57.570 0.4 . 1 . . . . 68 D CA . 16506 1 235 . 1 1 68 68 ASP CB C 13 42.260 0.4 . 1 . . . . 68 D CB . 16506 1 236 . 1 1 68 68 ASP N N 15 118.100 0.3 . 1 . . . . 68 D N . 16506 1 237 . 1 1 69 69 ALA H H 1 7.910 0.03 . 1 . . . . 69 A H . 16506 1 238 . 1 1 69 69 ALA CA C 13 55.510 0.4 . 1 . . . . 69 A CA . 16506 1 239 . 1 1 69 69 ALA CB C 13 17.410 0.4 . 1 . . . . 69 A CB . 16506 1 240 . 1 1 69 69 ALA N N 15 122.500 0.3 . 1 . . . . 69 A N . 16506 1 241 . 1 1 70 70 ILE H H 1 8.360 0.03 . 1 . . . . 70 I H . 16506 1 242 . 1 1 70 70 ILE CA C 13 65.880 0.4 . 1 . . . . 70 I CA . 16506 1 243 . 1 1 70 70 ILE CB C 13 37.850 0.4 . 1 . . . . 70 I CB . 16506 1 244 . 1 1 70 70 ILE N N 15 118.700 0.3 . 1 . . . . 70 I N . 16506 1 245 . 1 1 71 71 ASP H H 1 8.820 0.03 . 1 . . . . 71 D H . 16506 1 246 . 1 1 71 71 ASP CA C 13 57.570 0.4 . 1 . . . . 71 D CA . 16506 1 247 . 1 1 71 71 ASP CB C 13 40.380 0.4 . 1 . . . . 71 D CB . 16506 1 248 . 1 1 71 71 ASP N N 15 119.200 0.3 . 1 . . . . 71 D N . 16506 1 249 . 1 1 72 72 TYR H H 1 7.880 0.03 . 1 . . . . 72 Y H . 16506 1 250 . 1 1 72 72 TYR CA C 13 62.570 0.4 . 1 . . . . 72 Y CA . 16506 1 251 . 1 1 72 72 TYR CB C 13 38.650 0.4 . 1 . . . . 72 Y CB . 16506 1 252 . 1 1 72 72 TYR N N 15 119.500 0.3 . 1 . . . . 72 Y N . 16506 1 253 . 1 1 73 73 ILE H H 1 8.240 0.03 . 1 . . . . 73 I H . 16506 1 254 . 1 1 73 73 ILE CA C 13 64.450 0.4 . 1 . . . . 73 I CA . 16506 1 255 . 1 1 73 73 ILE CB C 13 37.400 0.4 . 1 . . . . 73 I CB . 16506 1 256 . 1 1 73 73 ILE N N 15 120.600 0.3 . 1 . . . . 73 I N . 16506 1 257 . 1 1 74 74 GLU H H 1 8.660 0.03 . 1 . . . . 74 E H . 16506 1 258 . 1 1 74 74 GLU CA C 13 58.790 0.4 . 1 . . . . 74 E CA . 16506 1 259 . 1 1 74 74 GLU CB C 13 29.360 0.4 . 1 . . . . 74 E CB . 16506 1 260 . 1 1 74 74 GLU N N 15 117.900 0.3 . 1 . . . . 74 E N . 16506 1 261 . 1 1 75 75 LYS H H 1 7.660 0.03 . 1 . . . . 75 K H . 16506 1 262 . 1 1 75 75 LYS CA C 13 58.070 0.4 . 1 . . . . 75 K CA . 16506 1 263 . 1 1 75 75 LYS CB C 13 32.730 0.4 . 1 . . . . 75 K CB . 16506 1 264 . 1 1 75 75 LYS N N 15 117.200 0.3 . 1 . . . . 75 K N . 16506 1 265 . 1 1 76 76 ASN H H 1 7.570 0.03 . 1 . . . . 76 N H . 16506 1 266 . 1 1 76 76 ASN CA C 13 54.770 0.4 . 1 . . . . 76 N CA . 16506 1 267 . 1 1 76 76 ASN CB C 13 39.950 0.4 . 1 . . . . 76 N CB . 16506 1 268 . 1 1 76 76 ASN N N 15 116.100 0.3 . 1 . . . . 76 N N . 16506 1 269 . 1 1 77 77 ASN H H 1 8.020 0.03 . 1 . . . . 77 N H . 16506 1 270 . 1 1 77 77 ASN CA C 13 53.650 0.4 . 1 . . . . 77 N CA . 16506 1 271 . 1 1 77 77 ASN CB C 13 38.910 0.4 . 1 . . . . 77 N CB . 16506 1 272 . 1 1 77 77 ASN N N 15 119.200 0.3 . 1 . . . . 77 N N . 16506 1 273 . 1 1 78 78 LYS H H 1 8.160 0.03 . 1 . . . . 78 K H . 16506 1 274 . 1 1 78 78 LYS CA C 13 56.260 0.4 . 1 . . . . 78 K CA . 16506 1 275 . 1 1 78 78 LYS CB C 13 32.900 0.4 . 1 . . . . 78 K CB . 16506 1 276 . 1 1 78 78 LYS N N 15 122.400 0.3 . 1 . . . . 78 K N . 16506 1 277 . 1 1 79 79 GLN H H 1 8.020 0.03 . 1 . . . . 79 Q H . 16506 1 278 . 1 1 79 79 GLN N N 15 126.600 0.3 . 1 . . . . 79 Q N . 16506 1 stop_ save_