################################### # 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 30931 _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 . _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 TROSY-HSQC' . . . 30931 1 2 '3D HNCO' . . . 30931 1 3 '3D HNCA' . . . 30931 1 4 '3D NOESY-TROSY' . . . 30931 1 5 '2D T1' . . . 30931 1 6 '2D T1rho' . . . 30931 1 7 '2D Het NOE' . . . 30931 1 8 'Hydrogen Exchange' . . . 30931 1 9 '1H-15N 2D ARTSY' . . . 30931 1 10 '1H-15N E.COSY-TROSY' . . . 30931 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 2 2 SER C C 13 174.380 . . . . . . . A 2 SER C . 30931 1 2 . 1 . 1 3 3 TRP H H 1 8.408 . . . . . . . A 3 TRP H . 30931 1 3 . 1 . 1 3 3 TRP C C 13 175.480 . . . . . . . A 3 TRP C . 30931 1 4 . 1 . 1 3 3 TRP CA C 13 57.39 . . . . . . . A 3 TRP CA . 30931 1 5 . 1 . 1 3 3 TRP N N 15 122.176 . . . . . . . A 3 TRP N . 30931 1 6 . 1 . 1 4 4 ASN H H 1 8.041 . . . . . . . A 4 ASN H . 30931 1 7 . 1 . 1 4 4 ASN C C 13 175.210 . . . . . . . A 4 ASN C . 30931 1 8 . 1 . 1 4 4 ASN CA C 13 52.98 . . . . . . . A 4 ASN CA . 30931 1 9 . 1 . 1 4 4 ASN N N 15 119.402 . . . . . . . A 4 ASN N . 30931 1 10 . 1 . 1 5 5 GLN H H 1 8.499 . . . . . . . A 5 GLN H . 30931 1 11 . 1 . 1 5 5 GLN C C 13 176.910 . . . . . . . A 5 GLN C . 30931 1 12 . 1 . 1 5 5 GLN CA C 13 58.64 . . . . . . . A 5 GLN CA . 30931 1 13 . 1 . 1 5 5 GLN N N 15 121.558 . . . . . . . A 5 GLN N . 30931 1 14 . 1 . 1 6 6 LYS H H 1 8.107 . . . . . . . A 6 LYS H . 30931 1 15 . 1 . 1 6 6 LYS C C 13 178.010 . . . . . . . A 6 LYS C . 30931 1 16 . 1 . 1 6 6 LYS CA C 13 58.48 . . . . . . . A 6 LYS CA . 30931 1 17 . 1 . 1 6 6 LYS N N 15 119.327 . . . . . . . A 6 LYS N . 30931 1 18 . 1 . 1 7 7 LEU H H 1 7.720 . . . . . . . A 7 LEU H . 30931 1 19 . 1 . 1 7 7 LEU C C 13 178.860 . . . . . . . A 7 LEU C . 30931 1 20 . 1 . 1 7 7 LEU CA C 13 57.16 . . . . . . . A 7 LEU CA . 30931 1 21 . 1 . 1 7 7 LEU N N 15 119.815 . . . . . . . A 7 LEU N . 30931 1 22 . 1 . 1 8 8 ILE H H 1 7.846 . . . . . . . A 8 ILE H . 30931 1 23 . 1 . 1 8 8 ILE C C 13 177.260 . . . . . . . A 8 ILE C . 30931 1 24 . 1 . 1 8 8 ILE CA C 13 63.53 . . . . . . . A 8 ILE CA . 30931 1 25 . 1 . 1 8 8 ILE N N 15 118.483 . . . . . . . A 8 ILE N . 30931 1 26 . 1 . 1 9 9 ALA H H 1 8.268 . . . . . . . A 9 ALA H . 30931 1 27 . 1 . 1 9 9 ALA C C 13 179.270 . . . . . . . A 9 ALA C . 30931 1 28 . 1 . 1 9 9 ALA CA C 13 55.04 . . . . . . . A 9 ALA CA . 30931 1 29 . 1 . 1 9 9 ALA N N 15 122.932 . . . . . . . A 9 ALA N . 30931 1 30 . 1 . 1 10 10 ASN H H 1 8.208 . . . . . . . A 10 ASN H . 30931 1 31 . 1 . 1 10 10 ASN C C 13 177.850 . . . . . . . A 10 ASN C . 30931 1 32 . 1 . 1 10 10 ASN CA C 13 55.69 . . . . . . . A 10 ASN CA . 30931 1 33 . 1 . 1 10 10 ASN N N 15 115.994 . . . . . . . A 10 ASN N . 30931 1 34 . 1 . 1 11 11 GLN H H 1 8.326 . . . . . . . A 11 GLN H . 30931 1 35 . 1 . 1 11 11 GLN C C 13 178.180 . . . . . . . A 11 GLN C . 30931 1 36 . 1 . 1 11 11 GLN CA C 13 58.40 . . . . . . . A 11 GLN CA . 30931 1 37 . 1 . 1 11 11 GLN N N 15 119.621 . . . . . . . A 11 GLN N . 30931 1 38 . 1 . 1 12 12 PHE H H 1 8.545 . . . . . . . A 12 PHE H . 30931 1 39 . 1 . 1 12 12 PHE C C 13 176.520 . . . . . . . A 12 PHE C . 30931 1 40 . 1 . 1 12 12 PHE CA C 13 60.83 . . . . . . . A 12 PHE CA . 30931 1 41 . 1 . 1 12 12 PHE N N 15 119.721 . . . . . . . A 12 PHE N . 30931 1 42 . 1 . 1 13 13 ASN H H 1 8.477 . . . . . . . A 13 ASN H . 30931 1 43 . 1 . 1 13 13 ASN C C 13 178.300 . . . . . . . A 13 ASN C . 30931 1 44 . 1 . 1 13 13 ASN CA C 13 56.29 . . . . . . . A 13 ASN CA . 30931 1 45 . 1 . 1 13 13 ASN N N 15 117.450 . . . . . . . A 13 ASN N . 30931 1 46 . 1 . 1 14 14 SER H H 1 8.276 . . . . . . . A 14 SER H . 30931 1 47 . 1 . 1 14 14 SER C C 13 176.460 . . . . . . . A 14 SER C . 30931 1 48 . 1 . 1 14 14 SER CA C 13 60.96 . . . . . . . A 14 SER CA . 30931 1 49 . 1 . 1 14 14 SER N N 15 115.435 . . . . . . . A 14 SER N . 30931 1 50 . 1 . 1 15 15 ALA H H 1 8.012 . . . . . . . A 15 ALA H . 30931 1 51 . 1 . 1 15 15 ALA C C 13 179.250 . . . . . . . A 15 ALA C . 30931 1 52 . 1 . 1 15 15 ALA CA C 13 55.03 . . . . . . . A 15 ALA CA . 30931 1 53 . 1 . 1 15 15 ALA N N 15 124.098 . . . . . . . A 15 ALA N . 30931 1 54 . 1 . 1 16 16 ILE H H 1 8.106 . . . . . . . A 16 ILE H . 30931 1 55 . 1 . 1 16 16 ILE C C 13 178.120 . . . . . . . A 16 ILE C . 30931 1 56 . 1 . 1 16 16 ILE CA C 13 63.81 . . . . . . . A 16 ILE CA . 30931 1 57 . 1 . 1 16 16 ILE N N 15 116.376 . . . . . . . A 16 ILE N . 30931 1 58 . 1 . 1 17 17 GLY H H 1 8.033 . . . . . . . A 17 GLY H . 30931 1 59 . 1 . 1 17 17 GLY C C 13 175.820 . . . . . . . A 17 GLY C . 30931 1 60 . 1 . 1 17 17 GLY CA C 13 47.16 . . . . . . . A 17 GLY CA . 30931 1 61 . 1 . 1 17 17 GLY N N 15 107.832 . . . . . . . A 17 GLY N . 30931 1 62 . 1 . 1 18 18 LYS H H 1 7.760 . . . . . . . A 18 LYS H . 30931 1 63 . 1 . 1 18 18 LYS C C 13 179.700 . . . . . . . A 18 LYS C . 30931 1 64 . 1 . 1 18 18 LYS CA C 13 58.46 . . . . . . . A 18 LYS CA . 30931 1 65 . 1 . 1 18 18 LYS N N 15 120.448 . . . . . . . A 18 LYS N . 30931 1 66 . 1 . 1 19 19 ILE H H 1 8.073 . . . . . . . A 19 ILE H . 30931 1 67 . 1 . 1 19 19 ILE C C 13 177.700 . . . . . . . A 19 ILE C . 30931 1 68 . 1 . 1 19 19 ILE CA C 13 64.80 . . . . . . . A 19 ILE CA . 30931 1 69 . 1 . 1 19 19 ILE N N 15 120.291 . . . . . . . A 19 ILE N . 30931 1 70 . 1 . 1 20 20 GLN H H 1 8.542 . . . . . . . A 20 GLN H . 30931 1 71 . 1 . 1 20 20 GLN C C 13 178.430 . . . . . . . A 20 GLN C . 30931 1 72 . 1 . 1 20 20 GLN CA C 13 59.69 . . . . . . . A 20 GLN CA . 30931 1 73 . 1 . 1 20 20 GLN N N 15 119.875 . . . . . . . A 20 GLN N . 30931 1 74 . 1 . 1 21 21 ASP H H 1 8.357 . . . . . . . A 21 ASP H . 30931 1 75 . 1 . 1 21 21 ASP C C 13 178.800 . . . . . . . A 21 ASP C . 30931 1 76 . 1 . 1 21 21 ASP CA C 13 57.10 . . . . . . . A 21 ASP CA . 30931 1 77 . 1 . 1 21 21 ASP N N 15 119.427 . . . . . . . A 21 ASP N . 30931 1 78 . 1 . 1 22 22 SER H H 1 8.063 . . . . . . . A 22 SER H . 30931 1 79 . 1 . 1 22 22 SER C C 13 176.510 . . . . . . . A 22 SER C . 30931 1 80 . 1 . 1 22 22 SER CA C 13 61.77 . . . . . . . A 22 SER CA . 30931 1 81 . 1 . 1 22 22 SER N N 15 115.990 . . . . . . . A 22 SER N . 30931 1 82 . 1 . 1 23 23 LEU H H 1 8.241 . . . . . . . A 23 LEU H . 30931 1 83 . 1 . 1 23 23 LEU C C 13 178.390 . . . . . . . A 23 LEU C . 30931 1 84 . 1 . 1 23 23 LEU CA C 13 57.21 . . . . . . . A 23 LEU CA . 30931 1 85 . 1 . 1 23 23 LEU N N 15 122.193 . . . . . . . A 23 LEU N . 30931 1 86 . 1 . 1 24 24 SER H H 1 8.237 . . . . . . . A 24 SER H . 30931 1 87 . 1 . 1 24 24 SER C C 13 176.740 . . . . . . . A 24 SER C . 30931 1 88 . 1 . 1 24 24 SER CA C 13 61.23 . . . . . . . A 24 SER CA . 30931 1 89 . 1 . 1 24 24 SER N N 15 114.991 . . . . . . . A 24 SER N . 30931 1 90 . 1 . 1 25 25 SER H H 1 8.267 . . . . . . . A 25 SER H . 30931 1 91 . 1 . 1 25 25 SER C C 13 176.500 . . . . . . . A 25 SER C . 30931 1 92 . 1 . 1 25 25 SER CA C 13 60.64 . . . . . . . A 25 SER CA . 30931 1 93 . 1 . 1 25 25 SER N N 15 116.941 . . . . . . . A 25 SER N . 30931 1 94 . 1 . 1 26 26 THR H H 1 8.075 . . . . . . . A 26 THR H . 30931 1 95 . 1 . 1 26 26 THR C C 13 175.440 . . . . . . . A 26 THR C . 30931 1 96 . 1 . 1 26 26 THR CA C 13 65.91 . . . . . . . A 26 THR CA . 30931 1 97 . 1 . 1 26 26 THR N N 15 118.157 . . . . . . . A 26 THR N . 30931 1 98 . 1 . 1 27 27 ALA H H 1 8.301 . . . . . . . A 27 ALA H . 30931 1 99 . 1 . 1 27 27 ALA C C 13 179.830 . . . . . . . A 27 ALA C . 30931 1 100 . 1 . 1 27 27 ALA CA C 13 55.16 . . . . . . . A 27 ALA CA . 30931 1 101 . 1 . 1 27 27 ALA N N 15 123.505 . . . . . . . A 27 ALA N . 30931 1 102 . 1 . 1 28 28 SER H H 1 8.137 . . . . . . . A 28 SER H . 30931 1 103 . 1 . 1 28 28 SER C C 13 176.710 . . . . . . . A 28 SER C . 30931 1 104 . 1 . 1 28 28 SER CA C 13 60.64 . . . . . . . A 28 SER CA . 30931 1 105 . 1 . 1 28 28 SER N N 15 113.200 . . . . . . . A 28 SER N . 30931 1 106 . 1 . 1 29 29 ALA H H 1 8.088 . . . . . . . A 29 ALA H . 30931 1 107 . 1 . 1 29 29 ALA C C 13 179.440 . . . . . . . A 29 ALA C . 30931 1 108 . 1 . 1 29 29 ALA CA C 13 54.88 . . . . . . . A 29 ALA CA . 30931 1 109 . 1 . 1 29 29 ALA N N 15 124.719 . . . . . . . A 29 ALA N . 30931 1 110 . 1 . 1 30 30 LEU H H 1 8.214 . . . . . . . A 30 LEU H . 30931 1 111 . 1 . 1 30 30 LEU C C 13 178.980 . . . . . . . A 30 LEU C . 30931 1 112 . 1 . 1 30 30 LEU CA C 13 57.43 . . . . . . . A 30 LEU CA . 30931 1 113 . 1 . 1 30 30 LEU N N 15 117.138 . . . . . . . A 30 LEU N . 30931 1 114 . 1 . 1 31 31 GLY H H 1 8.131 . . . . . . . A 31 GLY H . 30931 1 115 . 1 . 1 31 31 GLY C C 13 176.010 . . . . . . . A 31 GLY C . 30931 1 116 . 1 . 1 31 31 GLY CA C 13 47.01 . . . . . . . A 31 GLY CA . 30931 1 117 . 1 . 1 31 31 GLY N N 15 106.602 . . . . . . . A 31 GLY N . 30931 1 118 . 1 . 1 32 32 LYS H H 1 7.821 . . . . . . . A 32 LYS H . 30931 1 119 . 1 . 1 32 32 LYS C C 13 178.710 . . . . . . . A 32 LYS C . 30931 1 120 . 1 . 1 32 32 LYS CA C 13 58.11 . . . . . . . A 32 LYS CA . 30931 1 121 . 1 . 1 32 32 LYS N N 15 120.923 . . . . . . . A 32 LYS N . 30931 1 122 . 1 . 1 33 33 LEU H H 1 7.982 . . . . . . . A 33 LEU H . 30931 1 123 . 1 . 1 33 33 LEU C C 13 178.050 . . . . . . . A 33 LEU C . 30931 1 124 . 1 . 1 33 33 LEU CA C 13 57.60 . . . . . . . A 33 LEU CA . 30931 1 125 . 1 . 1 33 33 LEU N N 15 119.768 . . . . . . . A 33 LEU N . 30931 1 126 . 1 . 1 34 34 GLN H H 1 8.264 . . . . . . . A 34 GLN H . 30931 1 127 . 1 . 1 34 34 GLN C C 13 177.520 . . . . . . . A 34 GLN C . 30931 1 128 . 1 . 1 34 34 GLN CA C 13 59.25 . . . . . . . A 34 GLN CA . 30931 1 129 . 1 . 1 34 34 GLN N N 15 117.847 . . . . . . . A 34 GLN N . 30931 1 130 . 1 . 1 35 35 ASP H H 1 7.910 . . . . . . . A 35 ASP H . 30931 1 131 . 1 . 1 35 35 ASP C C 13 178.290 . . . . . . . A 35 ASP C . 30931 1 132 . 1 . 1 35 35 ASP CA C 13 57.31 . . . . . . . A 35 ASP CA . 30931 1 133 . 1 . 1 35 35 ASP N N 15 118.859 . . . . . . . A 35 ASP N . 30931 1 134 . 1 . 1 36 36 VAL H H 1 7.926 . . . . . . . A 36 VAL H . 30931 1 135 . 1 . 1 36 36 VAL C C 13 178.880 . . . . . . . A 36 VAL C . 30931 1 136 . 1 . 1 36 36 VAL CA C 13 65.80 . . . . . . . A 36 VAL CA . 30931 1 137 . 1 . 1 36 36 VAL N N 15 119.070 . . . . . . . A 36 VAL N . 30931 1 138 . 1 . 1 37 37 VAL H H 1 8.192 . . . . . . . A 37 VAL H . 30931 1 139 . 1 . 1 37 37 VAL C C 13 177.290 . . . . . . . A 37 VAL C . 30931 1 140 . 1 . 1 37 37 VAL CA C 13 66.56 . . . . . . . A 37 VAL CA . 30931 1 141 . 1 . 1 37 37 VAL N N 15 120.528 . . . . . . . A 37 VAL N . 30931 1 142 . 1 . 1 38 38 ASN H H 1 8.344 . . . . . . . A 38 ASN H . 30931 1 143 . 1 . 1 38 38 ASN C C 13 178.160 . . . . . . . A 38 ASN C . 30931 1 144 . 1 . 1 38 38 ASN CA C 13 55.93 . . . . . . . A 38 ASN CA . 30931 1 145 . 1 . 1 38 38 ASN N N 15 117.723 . . . . . . . A 38 ASN N . 30931 1 146 . 1 . 1 39 39 GLN H H 1 8.376 . . . . . . . A 39 GLN H . 30931 1 147 . 1 . 1 39 39 GLN C C 13 177.600 . . . . . . . A 39 GLN C . 30931 1 148 . 1 . 1 39 39 GLN CA C 13 58.13 . . . . . . . A 39 GLN CA . 30931 1 149 . 1 . 1 39 39 GLN N N 15 118.036 . . . . . . . A 39 GLN N . 30931 1 150 . 1 . 1 40 40 ASN H H 1 7.827 . . . . . . . A 40 ASN H . 30931 1 151 . 1 . 1 40 40 ASN C C 13 175.470 . . . . . . . A 40 ASN C . 30931 1 152 . 1 . 1 40 40 ASN CA C 13 54.60 . . . . . . . A 40 ASN CA . 30931 1 153 . 1 . 1 40 40 ASN N N 15 116.690 . . . . . . . A 40 ASN N . 30931 1 154 . 1 . 1 41 41 ALA H H 1 8.058 . . . . . . . A 41 ALA H . 30931 1 155 . 1 . 1 41 41 ALA C C 13 179.240 . . . . . . . A 41 ALA C . 30931 1 156 . 1 . 1 41 41 ALA CA C 13 55.62 . . . . . . . A 41 ALA CA . 30931 1 157 . 1 . 1 41 41 ALA N N 15 123.109 . . . . . . . A 41 ALA N . 30931 1 158 . 1 . 1 42 42 GLN H H 1 8.349 . . . . . . . A 42 GLN H . 30931 1 159 . 1 . 1 42 42 GLN C C 13 178.220 . . . . . . . A 42 GLN C . 30931 1 160 . 1 . 1 42 42 GLN CA C 13 58.49 . . . . . . . A 42 GLN CA . 30931 1 161 . 1 . 1 42 42 GLN N N 15 116.875 . . . . . . . A 42 GLN N . 30931 1 162 . 1 . 1 43 43 ALA H H 1 8.040 . . . . . . . A 43 ALA H . 30931 1 163 . 1 . 1 43 43 ALA C C 13 180.030 . . . . . . . A 43 ALA C . 30931 1 164 . 1 . 1 43 43 ALA CA C 13 54.62 . . . . . . . A 43 ALA CA . 30931 1 165 . 1 . 1 43 43 ALA N N 15 122.819 . . . . . . . A 43 ALA N . 30931 1 166 . 1 . 1 44 44 LEU H H 1 8.106 . . . . . . . A 44 LEU H . 30931 1 167 . 1 . 1 44 44 LEU C C 13 177.980 . . . . . . . A 44 LEU C . 30931 1 168 . 1 . 1 44 44 LEU CA C 13 57.45 . . . . . . . A 44 LEU CA . 30931 1 169 . 1 . 1 44 44 LEU N N 15 118.347 . . . . . . . A 44 LEU N . 30931 1 170 . 1 . 1 45 45 ASN H H 1 8.281 . . . . . . . A 45 ASN H . 30931 1 171 . 1 . 1 45 45 ASN C C 13 177.300 . . . . . . . A 45 ASN C . 30931 1 172 . 1 . 1 45 45 ASN CA C 13 56.20 . . . . . . . A 45 ASN CA . 30931 1 173 . 1 . 1 45 45 ASN N N 15 117.546 . . . . . . . A 45 ASN N . 30931 1 174 . 1 . 1 46 46 THR H H 1 8.096 . . . . . . . A 46 THR H . 30931 1 175 . 1 . 1 46 46 THR C C 13 175.580 . . . . . . . A 46 THR C . 30931 1 176 . 1 . 1 46 46 THR CA C 13 65.85 . . . . . . . A 46 THR CA . 30931 1 177 . 1 . 1 46 46 THR N N 15 114.918 . . . . . . . A 46 THR N . 30931 1 178 . 1 . 1 47 47 LEU H H 1 7.862 . . . . . . . A 47 LEU H . 30931 1 179 . 1 . 1 47 47 LEU C C 13 178.960 . . . . . . . A 47 LEU C . 30931 1 180 . 1 . 1 47 47 LEU CA C 13 57.75 . . . . . . . A 47 LEU CA . 30931 1 181 . 1 . 1 47 47 LEU N N 15 121.917 . . . . . . . A 47 LEU N . 30931 1 182 . 1 . 1 48 48 VAL H H 1 8.126 . . . . . . . A 48 VAL H . 30931 1 183 . 1 . 1 48 48 VAL C C 13 178.240 . . . . . . . A 48 VAL C . 30931 1 184 . 1 . 1 48 48 VAL CA C 13 65.50 . . . . . . . A 48 VAL CA . 30931 1 185 . 1 . 1 48 48 VAL N N 15 117.076 . . . . . . . A 48 VAL N . 30931 1 186 . 1 . 1 49 49 LYS H H 1 8.138 . . . . . . . A 49 LYS H . 30931 1 187 . 1 . 1 49 49 LYS C C 13 178.540 . . . . . . . A 49 LYS C . 30931 1 188 . 1 . 1 49 49 LYS CA C 13 58.70 . . . . . . . A 49 LYS CA . 30931 1 189 . 1 . 1 49 49 LYS N N 15 121.419 . . . . . . . A 49 LYS N . 30931 1 190 . 1 . 1 50 50 GLN H H 1 8.260 . . . . . . . A 50 GLN H . 30931 1 191 . 1 . 1 50 50 GLN C C 13 176.980 . . . . . . . A 50 GLN C . 30931 1 192 . 1 . 1 50 50 GLN CA C 13 56.97 . . . . . . . A 50 GLN CA . 30931 1 193 . 1 . 1 50 50 GLN N N 15 118.269 . . . . . . . A 50 GLN N . 30931 1 194 . 1 . 1 51 51 SER H H 1 7.932 . . . . . . . A 51 SER H . 30931 1 195 . 1 . 1 51 51 SER C C 13 174.750 . . . . . . . A 51 SER C . 30931 1 196 . 1 . 1 51 51 SER CA C 13 60.02 . . . . . . . A 51 SER CA . 30931 1 197 . 1 . 1 51 51 SER N N 15 114.152 . . . . . . . A 51 SER N . 30931 1 198 . 1 . 1 52 52 GLY H H 1 7.979 . . . . . . . A 52 GLY H . 30931 1 199 . 1 . 1 52 52 GLY C C 13 174.420 . . . . . . . A 52 GLY C . 30931 1 200 . 1 . 1 52 52 GLY CA C 13 45.69 . . . . . . . A 52 GLY CA . 30931 1 201 . 1 . 1 52 52 GLY N N 15 108.522 . . . . . . . A 52 GLY N . 30931 1 202 . 1 . 1 53 53 LEU H H 1 7.883 . . . . . . . A 53 LEU H . 30931 1 203 . 1 . 1 53 53 LEU C C 13 176.300 . . . . . . . A 53 LEU C . 30931 1 204 . 1 . 1 53 53 LEU CA C 13 55.74 . . . . . . . A 53 LEU CA . 30931 1 205 . 1 . 1 53 53 LEU N N 15 119.715 . . . . . . . A 53 LEU N . 30931 1 206 . 1 . 1 54 54 VAL H H 1 7.665 . . . . . . . A 54 VAL H . 30931 1 207 . 1 . 1 54 54 VAL CA C 13 59.24 . . . . . . . A 54 VAL CA . 30931 1 208 . 1 . 1 54 54 VAL N N 15 116.984 . . . . . . . A 54 VAL N . 30931 1 209 . 1 . 1 55 55 PRO C C 13 175.840 . . . . . . . A 55 PRO C . 30931 1 210 . 1 . 1 56 56 ARG H H 1 7.879 . . . . . . . A 56 ARG H . 30931 1 211 . 1 . 1 56 56 ARG CA C 13 57.49 . . . . . . . A 56 ARG CA . 30931 1 212 . 1 . 1 56 56 ARG N N 15 125.896 . . . . . . . A 56 ARG N . 30931 1 stop_ save_