################################### # 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 53202 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone OSCP_CT' _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 2 '3D HNCO' . . . 53202 1 3 '3D HNCA' . . . 53202 1 4 '3D HNCACB' . . . 53202 1 5 '3D HN(CA)CO' . . . 53202 1 6 '3D HN(CO)CA' . . . 53202 1 7 '3D HN(CO)CACB' . . . 53202 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 53202 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 GLU H H 1 8.714 0.000 . . . . . . . 115 GLU H . 53202 1 2 . 1 . 1 2 2 GLU CA C 13 53.065 0.000 . . . . . . . 115 GLU CA . 53202 1 3 . 1 . 1 2 2 GLU N N 15 120.736 0.000 . . . . . . . 115 GLU N . 53202 1 4 . 1 . 1 3 3 VAL H H 1 8.967 0.000 . . . . . . . 116 VAL H . 53202 1 5 . 1 . 1 3 3 VAL C C 13 170.613 0.000 . . . . . . . 116 VAL C . 53202 1 6 . 1 . 1 3 3 VAL CA C 13 56.699 0.000 . . . . . . . 116 VAL CA . 53202 1 7 . 1 . 1 3 3 VAL CB C 13 30.720 0.000 . . . . . . . 116 VAL CB . 53202 1 8 . 1 . 1 3 3 VAL N N 15 125.581 0.000 . . . . . . . 116 VAL N . 53202 1 9 . 1 . 1 5 5 CYS H H 1 8.623 0.000 . . . . . . . 118 CYS H . 53202 1 10 . 1 . 1 5 5 CYS C C 13 171.332 0.000 . . . . . . . 118 CYS C . 53202 1 11 . 1 . 1 5 5 CYS CA C 13 53.706 0.000 . . . . . . . 118 CYS CA . 53202 1 12 . 1 . 1 5 5 CYS CB C 13 27.691 0.000 . . . . . . . 118 CYS CB . 53202 1 13 . 1 . 1 5 5 CYS N N 15 123.360 0.000 . . . . . . . 118 CYS N . 53202 1 14 . 1 . 1 6 6 THR H H 1 8.976 0.000 . . . . . . . 119 THR H . 53202 1 15 . 1 . 1 6 6 THR C C 13 171.048 0.000 . . . . . . . 119 THR C . 53202 1 16 . 1 . 1 6 6 THR CA C 13 58.479 0.000 . . . . . . . 119 THR CA . 53202 1 17 . 1 . 1 6 6 THR CB C 13 68.912 0.000 . . . . . . . 119 THR CB . 53202 1 18 . 1 . 1 6 6 THR N N 15 121.825 0.000 . . . . . . . 119 THR N . 53202 1 19 . 1 . 1 7 7 VAL H H 1 8.947 0.000 . . . . . . . 120 VAL H . 53202 1 20 . 1 . 1 7 7 VAL C C 13 170.708 0.000 . . . . . . . 120 VAL C . 53202 1 21 . 1 . 1 7 7 VAL CA C 13 57.063 0.000 . . . . . . . 120 VAL CA . 53202 1 22 . 1 . 1 7 7 VAL CB C 13 31.669 0.000 . . . . . . . 120 VAL CB . 53202 1 23 . 1 . 1 7 7 VAL N N 15 126.651 0.000 . . . . . . . 120 VAL N . 53202 1 24 . 1 . 1 8 8 THR H H 1 9.133 0.000 . . . . . . . 121 THR H . 53202 1 25 . 1 . 1 8 8 THR CA C 13 58.439 0.000 . . . . . . . 121 THR CA . 53202 1 26 . 1 . 1 8 8 THR CB C 13 66.965 0.000 . . . . . . . 121 THR CB . 53202 1 27 . 1 . 1 8 8 THR N N 15 124.867 0.000 . . . . . . . 121 THR N . 53202 1 28 . 1 . 1 9 9 SER H H 1 8.533 0.000 . . . . . . . 122 SER H . 53202 1 29 . 1 . 1 9 9 SER C C 13 170.480 0.000 . . . . . . . 122 SER C . 53202 1 30 . 1 . 1 9 9 SER CA C 13 53.839 0.000 . . . . . . . 122 SER CA . 53202 1 31 . 1 . 1 9 9 SER CB C 13 63.286 0.000 . . . . . . . 122 SER CB . 53202 1 32 . 1 . 1 9 9 SER N N 15 119.122 0.000 . . . . . . . 122 SER N . 53202 1 33 . 1 . 1 10 10 ALA H H 1 9.088 0.000 . . . . . . . 123 ALA H . 53202 1 34 . 1 . 1 10 10 ALA C C 13 173.623 0.000 . . . . . . . 123 ALA C . 53202 1 35 . 1 . 1 10 10 ALA CA C 13 50.753 0.000 . . . . . . . 123 ALA CA . 53202 1 36 . 1 . 1 10 10 ALA CB C 13 15.789 0.000 . . . . . . . 123 ALA CB . 53202 1 37 . 1 . 1 10 10 ALA N N 15 124.166 0.000 . . . . . . . 123 ALA N . 53202 1 38 . 1 . 1 11 11 SER H H 1 7.406 0.000 . . . . . . . 124 SER H . 53202 1 39 . 1 . 1 11 11 SER C C 13 168.899 0.000 . . . . . . . 124 SER C . 53202 1 40 . 1 . 1 11 11 SER CA C 13 52.573 0.000 . . . . . . . 124 SER CA . 53202 1 41 . 1 . 1 11 11 SER CB C 13 61.014 0.000 . . . . . . . 124 SER CB . 53202 1 42 . 1 . 1 11 11 SER N N 15 109.247 0.000 . . . . . . . 124 SER N . 53202 1 43 . 1 . 1 13 13 LEU H H 1 8.654 0.000 . . . . . . . 126 LEU H . 53202 1 44 . 1 . 1 13 13 LEU C C 13 174.778 0.000 . . . . . . . 126 LEU C . 53202 1 45 . 1 . 1 13 13 LEU CA C 13 51.521 0.000 . . . . . . . 126 LEU CA . 53202 1 46 . 1 . 1 13 13 LEU CB C 13 40.133 0.000 . . . . . . . 126 LEU CB . 53202 1 47 . 1 . 1 13 13 LEU N N 15 125.224 0.000 . . . . . . . 126 LEU N . 53202 1 48 . 1 . 1 14 14 GLU H H 1 8.614 0.000 . . . . . . . 127 GLU H . 53202 1 49 . 1 . 1 14 14 GLU C C 13 174.873 0.000 . . . . . . . 127 GLU C . 53202 1 50 . 1 . 1 14 14 GLU CA C 13 53.549 0.000 . . . . . . . 127 GLU CA . 53202 1 51 . 1 . 1 14 14 GLU CB C 13 27.258 0.000 . . . . . . . 127 GLU CB . 53202 1 52 . 1 . 1 14 14 GLU N N 15 121.803 0.000 . . . . . . . 127 GLU N . 53202 1 53 . 1 . 1 15 15 GLU H H 1 8.881 0.000 . . . . . . . 128 GLU H . 53202 1 54 . 1 . 1 15 15 GLU C C 13 176.311 0.000 . . . . . . . 128 GLU C . 53202 1 55 . 1 . 1 15 15 GLU CA C 13 57.589 0.000 . . . . . . . 128 GLU CA . 53202 1 56 . 1 . 1 15 15 GLU CB C 13 26.825 0.000 . . . . . . . 128 GLU CB . 53202 1 57 . 1 . 1 15 15 GLU N N 15 123.710 0.000 . . . . . . . 128 GLU N . 53202 1 58 . 1 . 1 16 16 ALA H H 1 8.862 0.000 . . . . . . . 129 ALA H . 53202 1 59 . 1 . 1 16 16 ALA C C 13 177.637 0.000 . . . . . . . 129 ALA C . 53202 1 60 . 1 . 1 16 16 ALA CA C 13 52.654 0.000 . . . . . . . 129 ALA CA . 53202 1 61 . 1 . 1 16 16 ALA CB C 13 15.465 0.000 . . . . . . . 129 ALA CB . 53202 1 62 . 1 . 1 16 16 ALA N N 15 119.835 0.000 . . . . . . . 129 ALA N . 53202 1 63 . 1 . 1 17 17 THR H H 1 7.105 0.000 . . . . . . . 130 THR H . 53202 1 64 . 1 . 1 17 17 THR CA C 13 63.472 0.000 . . . . . . . 130 THR CA . 53202 1 65 . 1 . 1 17 17 THR CB C 13 65.450 0.000 . . . . . . . 130 THR CB . 53202 1 66 . 1 . 1 17 17 THR N N 15 115.058 0.000 . . . . . . . 130 THR N . 53202 1 67 . 1 . 1 18 18 LEU H H 1 7.977 0.000 . . . . . . . 131 LEU H . 53202 1 68 . 1 . 1 18 18 LEU C C 13 175.990 0.000 . . . . . . . 131 LEU C . 53202 1 69 . 1 . 1 18 18 LEU CA C 13 55.728 0.000 . . . . . . . 131 LEU CA . 53202 1 70 . 1 . 1 18 18 LEU CB C 13 38.724 0.000 . . . . . . . 131 LEU CB . 53202 1 71 . 1 . 1 18 18 LEU N N 15 122.189 0.000 . . . . . . . 131 LEU N . 53202 1 72 . 1 . 1 19 19 SER H H 1 8.522 0.000 . . . . . . . 132 SER H . 53202 1 73 . 1 . 1 19 19 SER CA C 13 59.288 0.000 . . . . . . . 132 SER CA . 53202 1 74 . 1 . 1 19 19 SER N N 15 113.698 0.000 . . . . . . . 132 SER N . 53202 1 75 . 1 . 1 20 20 GLU H H 1 7.567 0.000 . . . . . . . 133 GLU H . 53202 1 76 . 1 . 1 20 20 GLU C C 13 176.406 0.000 . . . . . . . 133 GLU C . 53202 1 77 . 1 . 1 20 20 GLU CA C 13 55.931 0.000 . . . . . . . 133 GLU CA . 53202 1 78 . 1 . 1 20 20 GLU CB C 13 26.392 0.000 . . . . . . . 133 GLU CB . 53202 1 79 . 1 . 1 20 20 GLU N N 15 121.589 0.000 . . . . . . . 133 GLU N . 53202 1 80 . 1 . 1 21 21 LEU H H 1 8.369 0.000 . . . . . . . 134 LEU H . 53202 1 81 . 1 . 1 21 21 LEU C C 13 175.422 0.000 . . . . . . . 134 LEU C . 53202 1 82 . 1 . 1 21 21 LEU CA C 13 55.758 0.000 . . . . . . . 134 LEU CA . 53202 1 83 . 1 . 1 21 21 LEU CB C 13 39.152 0.000 . . . . . . . 134 LEU CB . 53202 1 84 . 1 . 1 21 21 LEU N N 15 120.655 0.000 . . . . . . . 134 LEU N . 53202 1 85 . 1 . 1 22 22 LYS H H 1 8.349 0.000 . . . . . . . 135 LYS H . 53202 1 86 . 1 . 1 22 22 LYS C C 13 175.175 0.000 . . . . . . . 135 LYS C . 53202 1 87 . 1 . 1 22 22 LYS CA C 13 58.316 0.000 . . . . . . . 135 LYS CA . 53202 1 88 . 1 . 1 22 22 LYS CB C 13 29.530 0.000 . . . . . . . 135 LYS CB . 53202 1 89 . 1 . 1 22 22 LYS N N 15 118.079 0.000 . . . . . . . 135 LYS N . 53202 1 90 . 1 . 1 23 23 THR H H 1 7.745 0.000 . . . . . . . 136 THR H . 53202 1 91 . 1 . 1 23 23 THR CA C 13 64.311 0.000 . . . . . . . 136 THR CA . 53202 1 92 . 1 . 1 23 23 THR CB C 13 65.775 0.000 . . . . . . . 136 THR CB . 53202 1 93 . 1 . 1 23 23 THR N N 15 115.270 0.000 . . . . . . . 136 THR N . 53202 1 94 . 1 . 1 24 24 VAL H H 1 7.936 0.000 . . . . . . . 137 VAL H . 53202 1 95 . 1 . 1 24 24 VAL C C 13 176.141 0.000 . . . . . . . 137 VAL C . 53202 1 96 . 1 . 1 24 24 VAL CA C 13 63.455 0.000 . . . . . . . 137 VAL CA . 53202 1 97 . 1 . 1 24 24 VAL CB C 13 29.097 0.000 . . . . . . . 137 VAL CB . 53202 1 98 . 1 . 1 24 24 VAL N N 15 121.696 0.000 . . . . . . . 137 VAL N . 53202 1 99 . 1 . 1 25 25 LEU H H 1 8.427 0.000 . . . . . . . 138 LEU H . 53202 1 100 . 1 . 1 25 25 LEU C C 13 175.933 0.000 . . . . . . . 138 LEU C . 53202 1 101 . 1 . 1 25 25 LEU CA C 13 55.000 0.000 . . . . . . . 138 LEU CA . 53202 1 102 . 1 . 1 25 25 LEU CB C 13 39.159 0.000 . . . . . . . 138 LEU CB . 53202 1 103 . 1 . 1 25 25 LEU N N 15 120.085 0.000 . . . . . . . 138 LEU N . 53202 1 104 . 1 . 1 26 26 LYS H H 1 8.189 0.000 . . . . . . . 139 LYS H . 53202 1 105 . 1 . 1 26 26 LYS C C 13 176.330 0.000 . . . . . . . 139 LYS C . 53202 1 106 . 1 . 1 26 26 LYS CA C 13 56.769 0.000 . . . . . . . 139 LYS CA . 53202 1 107 . 1 . 1 26 26 LYS CB C 13 29.313 0.000 . . . . . . . 139 LYS CB . 53202 1 108 . 1 . 1 26 26 LYS N N 15 116.324 0.000 . . . . . . . 139 LYS N . 53202 1 109 . 1 . 1 27 27 SER H H 1 7.418 0.000 . . . . . . . 140 SER H . 53202 1 110 . 1 . 1 27 27 SER CA C 13 58.236 0.000 . . . . . . . 140 SER CA . 53202 1 111 . 1 . 1 27 27 SER CB C 13 60.365 0.000 . . . . . . . 140 SER CB . 53202 1 112 . 1 . 1 27 27 SER N N 15 114.327 0.000 . . . . . . . 140 SER N . 53202 1 113 . 1 . 1 28 28 PHE H H 1 7.382 0.000 . . . . . . . 141 PHE H . 53202 1 114 . 1 . 1 28 28 PHE C C 13 172.923 0.000 . . . . . . . 141 PHE C . 53202 1 115 . 1 . 1 28 28 PHE CA C 13 54.474 0.000 . . . . . . . 141 PHE CA . 53202 1 116 . 1 . 1 28 28 PHE CB C 13 36.238 0.000 . . . . . . . 141 PHE CB . 53202 1 117 . 1 . 1 28 28 PHE N N 15 118.787 0.000 . . . . . . . 141 PHE N . 53202 1 118 . 1 . 1 29 29 LEU H H 1 7.268 0.000 . . . . . . . 142 LEU H . 53202 1 119 . 1 . 1 29 29 LEU C C 13 174.547 0.000 . . . . . . . 142 LEU C . 53202 1 120 . 1 . 1 29 29 LEU CA C 13 51.926 0.000 . . . . . . . 142 LEU CA . 53202 1 121 . 1 . 1 29 29 LEU CB C 13 39.592 0.000 . . . . . . . 142 LEU CB . 53202 1 122 . 1 . 1 29 29 LEU N N 15 119.372 0.000 . . . . . . . 142 LEU N . 53202 1 123 . 1 . 1 30 30 SER H H 1 8.546 0.000 . . . . . . . 143 SER H . 53202 1 124 . 1 . 1 30 30 SER CA C 13 54.639 0.000 . . . . . . . 143 SER CA . 53202 1 125 . 1 . 1 30 30 SER CB C 13 61.772 0.000 . . . . . . . 143 SER CB . 53202 1 126 . 1 . 1 30 30 SER N N 15 116.795 0.000 . . . . . . . 143 SER N . 53202 1 127 . 1 . 1 31 31 GLN H H 1 8.526 0.000 . . . . . . . 144 GLN H . 53202 1 128 . 1 . 1 31 31 GLN CA C 13 55.364 0.000 . . . . . . . 144 GLN CA . 53202 1 129 . 1 . 1 31 31 GLN CB C 13 26.068 0.000 . . . . . . . 144 GLN CB . 53202 1 130 . 1 . 1 31 31 GLN N N 15 121.397 0.000 . . . . . . . 144 GLN N . 53202 1 131 . 1 . 1 32 32 GLY H H 1 8.801 0.000 . . . . . . . 145 GLY H . 53202 1 132 . 1 . 1 32 32 GLY CA C 13 42.433 0.000 . . . . . . . 145 GLY CA . 53202 1 133 . 1 . 1 32 32 GLY N N 15 112.849 0.000 . . . . . . . 145 GLY N . 53202 1 134 . 1 . 1 33 33 GLN H H 1 7.711 0.000 . . . . . . . 146 GLN H . 53202 1 135 . 1 . 1 33 33 GLN C C 13 172.960 0.000 . . . . . . . 146 GLN C . 53202 1 136 . 1 . 1 33 33 GLN CA C 13 52.533 0.000 . . . . . . . 146 GLN CA . 53202 1 137 . 1 . 1 33 33 GLN CB C 13 28.448 0.000 . . . . . . . 146 GLN CB . 53202 1 138 . 1 . 1 33 33 GLN N N 15 118.787 0.000 . . . . . . . 146 GLN N . 53202 1 139 . 1 . 1 34 34 VAL H H 1 8.083 0.000 . . . . . . . 147 VAL H . 53202 1 140 . 1 . 1 34 34 VAL C C 13 171.692 0.000 . . . . . . . 147 VAL C . 53202 1 141 . 1 . 1 34 34 VAL CA C 13 57.832 0.000 . . . . . . . 147 VAL CA . 53202 1 142 . 1 . 1 34 34 VAL CB C 13 32.126 0.000 . . . . . . . 147 VAL CB . 53202 1 143 . 1 . 1 34 34 VAL N N 15 119.899 0.000 . . . . . . . 147 VAL N . 53202 1 144 . 1 . 1 35 35 LEU H H 1 8.783 0.000 . . . . . . . 148 LEU H . 53202 1 145 . 1 . 1 35 35 LEU C C 13 173.491 0.000 . . . . . . . 148 LEU C . 53202 1 146 . 1 . 1 35 35 LEU CA C 13 52.251 0.000 . . . . . . . 148 LEU CA . 53202 1 147 . 1 . 1 35 35 LEU CB C 13 40.998 0.000 . . . . . . . 148 LEU CB . 53202 1 148 . 1 . 1 35 35 LEU N N 15 127.293 0.000 . . . . . . . 148 LEU N . 53202 1 149 . 1 . 1 36 36 LYS H H 1 8.328 0.000 . . . . . . . 149 LYS H . 53202 1 150 . 1 . 1 36 36 LYS C C 13 171.105 0.000 . . . . . . . 149 LYS C . 53202 1 151 . 1 . 1 36 36 LYS CA C 13 52.128 0.000 . . . . . . . 149 LYS CA . 53202 1 152 . 1 . 1 36 36 LYS CB C 13 30.395 0.000 . . . . . . . 149 LYS CB . 53202 1 153 . 1 . 1 36 36 LYS N N 15 129.461 0.000 . . . . . . . 149 LYS N . 53202 1 154 . 1 . 1 37 37 LEU H H 1 8.635 0.000 . . . . . . . 150 LEU H . 53202 1 155 . 1 . 1 37 37 LEU CA C 13 51.981 0.000 . . . . . . . 150 LEU CA . 53202 1 156 . 1 . 1 37 37 LEU CB C 13 41.551 0.000 . . . . . . . 150 LEU CB . 53202 1 157 . 1 . 1 37 37 LEU N N 15 128.409 0.000 . . . . . . . 150 LEU N . 53202 1 158 . 1 . 1 38 38 GLU H H 1 8.860 0.000 . . . . . . . 151 GLU H . 53202 1 159 . 1 . 1 38 38 GLU C C 13 170.745 0.000 . . . . . . . 151 GLU C . 53202 1 160 . 1 . 1 38 38 GLU CA C 13 52.251 0.000 . . . . . . . 151 GLU CA . 53202 1 161 . 1 . 1 38 38 GLU CB C 13 29.746 0.000 . . . . . . . 151 GLU CB . 53202 1 162 . 1 . 1 38 38 GLU N N 15 128.631 0.000 . . . . . . . 151 GLU N . 53202 1 163 . 1 . 1 39 39 ALA H H 1 8.687 0.000 . . . . . . . 152 ALA H . 53202 1 164 . 1 . 1 39 39 ALA C C 13 173.869 0.000 . . . . . . . 152 ALA C . 53202 1 165 . 1 . 1 39 39 ALA CA C 13 47.815 0.000 . . . . . . . 152 ALA CA . 53202 1 166 . 1 . 1 39 39 ALA CB C 13 17.412 0.000 . . . . . . . 152 ALA CB . 53202 1 167 . 1 . 1 39 39 ALA N N 15 128.408 0.000 . . . . . . . 152 ALA N . 53202 1 168 . 1 . 1 40 40 LYS H H 1 9.240 0.000 . . . . . . . 153 LYS H . 53202 1 169 . 1 . 1 40 40 LYS C C 13 172.790 0.000 . . . . . . . 153 LYS C . 53202 1 170 . 1 . 1 40 40 LYS CA C 13 51.764 0.000 . . . . . . . 153 LYS CA . 53202 1 171 . 1 . 1 40 40 LYS CB C 13 32.992 0.000 . . . . . . . 153 LYS CB . 53202 1 172 . 1 . 1 40 40 LYS N N 15 123.472 0.000 . . . . . . . 153 LYS N . 53202 1 173 . 1 . 1 41 41 THR H H 1 8.638 0.000 . . . . . . . 154 THR H . 53202 1 174 . 1 . 1 41 41 THR C C 13 172.127 0.000 . . . . . . . 154 THR C . 53202 1 175 . 1 . 1 41 41 THR CA C 13 57.606 0.000 . . . . . . . 154 THR CA . 53202 1 176 . 1 . 1 41 41 THR CB C 13 67.073 0.000 . . . . . . . 154 THR CB . 53202 1 177 . 1 . 1 41 41 THR N N 15 117.118 0.000 . . . . . . . 154 THR N . 53202 1 178 . 1 . 1 42 42 ASP H H 1 8.718 0.000 . . . . . . . 155 ASP H . 53202 1 179 . 1 . 1 42 42 ASP CA C 13 47.840 0.000 . . . . . . . 155 ASP CA . 53202 1 180 . 1 . 1 42 42 ASP CB C 13 39.592 0.000 . . . . . . . 155 ASP CB . 53202 1 181 . 1 . 1 42 42 ASP N N 15 122.067 0.000 . . . . . . . 155 ASP N . 53202 1 182 . 1 . 1 44 44 SER H H 1 8.126 0.000 . . . . . . . 157 SER H . 53202 1 183 . 1 . 1 44 44 SER CA C 13 58.411 0.000 . . . . . . . 157 SER CA . 53202 1 184 . 1 . 1 44 44 SER CB C 13 60.149 0.000 . . . . . . . 157 SER CB . 53202 1 185 . 1 . 1 44 44 SER N N 15 114.096 0.000 . . . . . . . 157 SER N . 53202 1 186 . 1 . 1 45 45 ILE H H 1 7.282 0.000 . . . . . . . 158 ILE H . 53202 1 187 . 1 . 1 45 45 ILE C C 13 175.614 0.000 . . . . . . . 158 ILE C . 53202 1 188 . 1 . 1 45 45 ILE CA C 13 60.372 0.000 . . . . . . . 158 ILE CA . 53202 1 189 . 1 . 1 45 45 ILE CB C 13 35.007 0.000 . . . . . . . 158 ILE CB . 53202 1 190 . 1 . 1 45 45 ILE N N 15 112.558 0.000 . . . . . . . 158 ILE N . 53202 1 191 . 1 . 1 46 46 LEU H H 1 7.725 0.000 . . . . . . . 159 LEU H . 53202 1 192 . 1 . 1 46 46 LEU C C 13 174.210 0.000 . . . . . . . 159 LEU C . 53202 1 193 . 1 . 1 46 46 LEU CA C 13 57.197 0.000 . . . . . . . 159 LEU CA . 53202 1 194 . 1 . 1 46 46 LEU CB C 13 37.245 0.000 . . . . . . . 159 LEU CB . 53202 1 195 . 1 . 1 46 46 LEU N N 15 114.586 0.000 . . . . . . . 159 LEU N . 53202 1 196 . 1 . 1 47 47 GLY H H 1 8.570 0.000 . . . . . . . 160 GLY H . 53202 1 197 . 1 . 1 47 47 GLY CA C 13 42.823 0.000 . . . . . . . 160 GLY CA . 53202 1 198 . 1 . 1 47 47 GLY N N 15 108.582 0.000 . . . . . . . 160 GLY N . 53202 1 199 . 1 . 1 48 48 GLY H H 1 8.922 0.000 . . . . . . . 161 GLY H . 53202 1 200 . 1 . 1 48 48 GLY CA C 13 42.365 0.000 . . . . . . . 161 GLY CA . 53202 1 201 . 1 . 1 48 48 GLY N N 15 109.282 0.000 . . . . . . . 161 GLY N . 53202 1 202 . 1 . 1 49 49 MET H H 1 6.632 0.000 . . . . . . . 162 MET H . 53202 1 203 . 1 . 1 49 49 MET C C 13 170.973 0.000 . . . . . . . 162 MET C . 53202 1 204 . 1 . 1 49 49 MET CA C 13 51.761 0.000 . . . . . . . 162 MET CA . 53202 1 205 . 1 . 1 49 49 MET CB C 13 34.615 0.000 . . . . . . . 162 MET CB . 53202 1 206 . 1 . 1 49 49 MET N N 15 113.853 0.000 . . . . . . . 162 MET N . 53202 1 207 . 1 . 1 50 50 ILE H H 1 8.834 0.000 . . . . . . . 163 ILE H . 53202 1 208 . 1 . 1 50 50 ILE CA C 13 58.236 0.000 . . . . . . . 163 ILE CA . 53202 1 209 . 1 . 1 50 50 ILE CB C 13 38.726 0.000 . . . . . . . 163 ILE CB . 53202 1 210 . 1 . 1 50 50 ILE N N 15 120.413 0.000 . . . . . . . 163 ILE N . 53202 1 211 . 1 . 1 51 51 VAL H H 1 8.734 0.000 . . . . . . . 164 VAL H . 53202 1 212 . 1 . 1 51 51 VAL C C 13 170.386 0.000 . . . . . . . 164 VAL C . 53202 1 213 . 1 . 1 51 51 VAL CA C 13 58.422 0.000 . . . . . . . 164 VAL CA . 53202 1 214 . 1 . 1 51 51 VAL N N 15 127.105 0.000 . . . . . . . 164 VAL N . 53202 1 215 . 1 . 1 52 52 ARG H H 1 8.950 0.000 . . . . . . . 165 ARG H . 53202 1 216 . 1 . 1 52 52 ARG C C 13 172.355 0.000 . . . . . . . 165 ARG C . 53202 1 217 . 1 . 1 52 52 ARG CA C 13 51.921 0.000 . . . . . . . 165 ARG CA . 53202 1 218 . 1 . 1 52 52 ARG N N 15 128.129 0.000 . . . . . . . 165 ARG N . 53202 1 219 . 1 . 1 53 53 ILE H H 1 8.760 0.000 . . . . . . . 166 ILE H . 53202 1 220 . 1 . 1 53 53 ILE CA C 13 57.751 0.000 . . . . . . . 166 ILE CA . 53202 1 221 . 1 . 1 53 53 ILE CB C 13 37.400 0.000 . . . . . . . 166 ILE CB . 53202 1 222 . 1 . 1 53 53 ILE N N 15 125.819 0.000 . . . . . . . 166 ILE N . 53202 1 223 . 1 . 1 54 54 GLY H H 1 8.824 0.000 . . . . . . . 167 GLY H . 53202 1 224 . 1 . 1 54 54 GLY CA C 13 44.563 0.000 . . . . . . . 167 GLY CA . 53202 1 225 . 1 . 1 54 54 GLY N N 15 117.141 0.000 . . . . . . . 167 GLY N . 53202 1 226 . 1 . 1 55 55 GLU H H 1 9.037 0.000 . . . . . . . 168 GLU H . 53202 1 227 . 1 . 1 55 55 GLU C C 13 173.489 0.000 . . . . . . . 168 GLU C . 53202 1 228 . 1 . 1 55 55 GLU CA C 13 53.403 0.000 . . . . . . . 168 GLU CA . 53202 1 229 . 1 . 1 55 55 GLU CB C 13 27.243 0.000 . . . . . . . 168 GLU CB . 53202 1 230 . 1 . 1 55 55 GLU N N 15 126.024 0.000 . . . . . . . 168 GLU N . 53202 1 231 . 1 . 1 56 56 LYS H H 1 8.047 0.000 . . . . . . . 169 LYS H . 53202 1 232 . 1 . 1 56 56 LYS C C 13 171.995 0.000 . . . . . . . 169 LYS C . 53202 1 233 . 1 . 1 56 56 LYS CA C 13 52.249 0.000 . . . . . . . 169 LYS CA . 53202 1 234 . 1 . 1 56 56 LYS CB C 13 31.369 0.000 . . . . . . . 169 LYS CB . 53202 1 235 . 1 . 1 56 56 LYS N N 15 120.434 0.000 . . . . . . . 169 LYS N . 53202 1 236 . 1 . 1 57 57 TYR H H 1 8.240 0.000 . . . . . . . 170 TYR H . 53202 1 237 . 1 . 1 57 57 TYR C C 13 171.787 0.000 . . . . . . . 170 TYR C . 53202 1 238 . 1 . 1 57 57 TYR CA C 13 53.839 0.000 . . . . . . . 170 TYR CA . 53202 1 239 . 1 . 1 57 57 TYR CB C 13 38.943 0.000 . . . . . . . 170 TYR CB . 53202 1 240 . 1 . 1 57 57 TYR N N 15 118.083 0.000 . . . . . . . 170 TYR N . 53202 1 241 . 1 . 1 58 58 VAL H H 1 8.938 0.000 . . . . . . . 171 VAL H . 53202 1 242 . 1 . 1 58 58 VAL C C 13 170.878 0.000 . . . . . . . 171 VAL C . 53202 1 243 . 1 . 1 58 58 VAL CA C 13 58.803 0.000 . . . . . . . 171 VAL CA . 53202 1 244 . 1 . 1 58 58 VAL CB C 13 31.153 0.000 . . . . . . . 171 VAL CB . 53202 1 245 . 1 . 1 58 58 VAL N N 15 120.249 0.000 . . . . . . . 171 VAL N . 53202 1 246 . 1 . 1 59 59 ASP H H 1 9.172 0.000 . . . . . . . 172 ASP H . 53202 1 247 . 1 . 1 59 59 ASP CA C 13 50.348 0.000 . . . . . . . 172 ASP CA . 53202 1 248 . 1 . 1 59 59 ASP CB C 13 37.748 0.000 . . . . . . . 172 ASP CB . 53202 1 249 . 1 . 1 59 59 ASP N N 15 126.873 0.000 . . . . . . . 172 ASP N . 53202 1 250 . 1 . 1 60 60 MET H H 1 8.396 0.000 . . . . . . . 173 MET H . 53202 1 251 . 1 . 1 60 60 MET CA C 13 51.440 0.000 . . . . . . . 173 MET CA . 53202 1 252 . 1 . 1 60 60 MET N N 15 127.474 0.000 . . . . . . . 173 MET N . 53202 1 253 . 1 . 1 61 61 SER H H 1 9.073 0.000 . . . . . . . 174 SER H . 53202 1 254 . 1 . 1 61 61 SER C C 13 173.320 0.000 . . . . . . . 174 SER C . 53202 1 255 . 1 . 1 61 61 SER CA C 13 55.883 0.000 . . . . . . . 174 SER CA . 53202 1 256 . 1 . 1 61 61 SER CB C 13 63.936 0.000 . . . . . . . 174 SER CB . 53202 1 257 . 1 . 1 61 61 SER N N 15 117.729 0.000 . . . . . . . 174 SER N . 53202 1 258 . 1 . 1 62 62 VAL H H 1 8.082 0.000 . . . . . . . 175 VAL H . 53202 1 259 . 1 . 1 62 62 VAL C C 13 174.873 0.000 . . . . . . . 175 VAL C . 53202 1 260 . 1 . 1 62 62 VAL CA C 13 63.032 0.000 . . . . . . . 175 VAL CA . 53202 1 261 . 1 . 1 62 62 VAL N N 15 123.228 0.000 . . . . . . . 175 VAL N . 53202 1 262 . 1 . 1 63 63 LYS H H 1 7.999 0.000 . . . . . . . 176 LYS H . 53202 1 263 . 1 . 1 63 63 LYS C C 13 174.664 0.000 . . . . . . . 176 LYS C . 53202 1 264 . 1 . 1 63 63 LYS CA C 13 58.436 0.000 . . . . . . . 176 LYS CA . 53202 1 265 . 1 . 1 63 63 LYS N N 15 119.143 0.000 . . . . . . . 176 LYS N . 53202 1 266 . 1 . 1 64 64 THR H H 1 7.611 0.000 . . . . . . . 177 THR H . 53202 1 267 . 1 . 1 64 64 THR CA C 13 63.392 0.000 . . . . . . . 177 THR CA . 53202 1 268 . 1 . 1 64 64 THR CB C 13 65.017 0.000 . . . . . . . 177 THR CB . 53202 1 269 . 1 . 1 64 64 THR N N 15 115.404 0.000 . . . . . . . 177 THR N . 53202 1 270 . 1 . 1 65 65 LYS H H 1 7.223 0.000 . . . . . . . 178 LYS H . 53202 1 271 . 1 . 1 65 65 LYS C C 13 176.437 0.000 . . . . . . . 178 LYS C . 53202 1 272 . 1 . 1 65 65 LYS CA C 13 57.225 0.000 . . . . . . . 178 LYS CA . 53202 1 273 . 1 . 1 65 65 LYS CB C 13 29.854 0.000 . . . . . . . 178 LYS CB . 53202 1 274 . 1 . 1 65 65 LYS N N 15 121.632 0.000 . . . . . . . 178 LYS N . 53202 1 275 . 1 . 1 66 66 ILE H H 1 8.056 0.000 . . . . . . . 179 ILE H . 53202 1 276 . 1 . 1 66 66 ILE C C 13 174.873 0.000 . . . . . . . 179 ILE C . 53202 1 277 . 1 . 1 66 66 ILE CA C 13 61.513 0.000 . . . . . . . 179 ILE CA . 53202 1 278 . 1 . 1 66 66 ILE CB C 13 34.507 0.000 . . . . . . . 179 ILE CB . 53202 1 279 . 1 . 1 66 66 ILE N N 15 117.141 0.000 . . . . . . . 179 ILE N . 53202 1 280 . 1 . 1 67 67 GLN H H 1 8.118 0.000 . . . . . . . 180 GLN H . 53202 1 281 . 1 . 1 67 67 GLN C C 13 175.895 0.000 . . . . . . . 180 GLN C . 53202 1 282 . 1 . 1 67 67 GLN CA C 13 56.477 0.000 . . . . . . . 180 GLN CA . 53202 1 283 . 1 . 1 67 67 GLN CB C 13 25.418 0.000 . . . . . . . 180 GLN CB . 53202 1 284 . 1 . 1 67 67 GLN N N 15 119.136 0.000 . . . . . . . 180 GLN N . 53202 1 285 . 1 . 1 68 68 LYS H H 1 7.936 0.000 . . . . . . . 181 LYS H . 53202 1 286 . 1 . 1 68 68 LYS C C 13 176.349 0.000 . . . . . . . 181 LYS C . 53202 1 287 . 1 . 1 68 68 LYS CA C 13 56.686 0.000 . . . . . . . 181 LYS CA . 53202 1 288 . 1 . 1 68 68 LYS CB C 13 29.398 0.000 . . . . . . . 181 LYS CB . 53202 1 289 . 1 . 1 68 68 LYS N N 15 119.058 0.000 . . . . . . . 181 LYS N . 53202 1 290 . 1 . 1 69 69 LEU H H 1 7.736 0.000 . . . . . . . 182 LEU H . 53202 1 291 . 1 . 1 69 69 LEU C C 13 175.670 0.000 . . . . . . . 182 LEU C . 53202 1 292 . 1 . 1 69 69 LEU CA C 13 54.717 0.000 . . . . . . . 182 LEU CA . 53202 1 293 . 1 . 1 69 69 LEU CB C 13 38.835 0.000 . . . . . . . 182 LEU CB . 53202 1 294 . 1 . 1 69 69 LEU N N 15 120.885 0.000 . . . . . . . 182 LEU N . 53202 1 295 . 1 . 1 70 70 GLY H H 1 7.831 0.000 . . . . . . . 183 GLY H . 53202 1 296 . 1 . 1 70 70 GLY CA C 13 43.880 0.000 . . . . . . . 183 GLY CA . 53202 1 297 . 1 . 1 70 70 GLY N N 15 105.778 0.000 . . . . . . . 183 GLY N . 53202 1 298 . 1 . 1 71 71 ARG H H 1 7.564 0.000 . . . . . . . 184 ARG H . 53202 1 299 . 1 . 1 71 71 ARG C C 13 175.194 0.000 . . . . . . . 184 ARG C . 53202 1 300 . 1 . 1 71 71 ARG CA C 13 55.850 0.000 . . . . . . . 184 ARG CA . 53202 1 301 . 1 . 1 71 71 ARG CB C 13 27.258 0.000 . . . . . . . 184 ARG CB . 53202 1 302 . 1 . 1 71 71 ARG N N 15 119.436 0.000 . . . . . . . 184 ARG N . 53202 1 303 . 1 . 1 72 72 ALA H H 1 7.672 0.000 . . . . . . . 185 ALA H . 53202 1 304 . 1 . 1 72 72 ALA C C 13 176.785 0.000 . . . . . . . 185 ALA C . 53202 1 305 . 1 . 1 72 72 ALA CA C 13 51.082 0.000 . . . . . . . 185 ALA CA . 53202 1 306 . 1 . 1 72 72 ALA CB C 13 15.681 0.000 . . . . . . . 185 ALA CB . 53202 1 307 . 1 . 1 72 72 ALA N N 15 121.373 0.000 . . . . . . . 185 ALA N . 53202 1 308 . 1 . 1 73 73 MET H H 1 7.887 0.000 . . . . . . . 186 MET H . 53202 1 309 . 1 . 1 73 73 MET C C 13 174.229 0.000 . . . . . . . 186 MET C . 53202 1 310 . 1 . 1 73 73 MET CA C 13 54.399 0.000 . . . . . . . 186 MET CA . 53202 1 311 . 1 . 1 73 73 MET CB C 13 29.746 0.000 . . . . . . . 186 MET CB . 53202 1 312 . 1 . 1 73 73 MET N N 15 116.795 0.000 . . . . . . . 186 MET N . 53202 1 313 . 1 . 1 74 74 ARG H H 1 7.644 0.000 . . . . . . . 187 ARG H . 53202 1 314 . 1 . 1 74 74 ARG C C 13 173.812 0.000 . . . . . . . 187 ARG C . 53202 1 315 . 1 . 1 74 74 ARG CA C 13 54.399 0.000 . . . . . . . 187 ARG CA . 53202 1 316 . 1 . 1 74 74 ARG CB C 13 28.015 0.000 . . . . . . . 187 ARG CB . 53202 1 317 . 1 . 1 74 74 ARG N N 15 118.317 0.000 . . . . . . . 187 ARG N . 53202 1 318 . 1 . 1 75 75 GLU H H 1 7.756 0.000 . . . . . . . 188 GLU H . 53202 1 319 . 1 . 1 75 75 GLU C C 13 173.699 0.000 . . . . . . . 188 GLU C . 53202 1 320 . 1 . 1 75 75 GLU CA C 13 54.063 0.000 . . . . . . . 188 GLU CA . 53202 1 321 . 1 . 1 75 75 GLU CB C 13 27.582 0.000 . . . . . . . 188 GLU CB . 53202 1 322 . 1 . 1 75 75 GLU N N 15 118.433 0.000 . . . . . . . 188 GLU N . 53202 1 323 . 1 . 1 76 76 ILE H H 1 7.746 0.000 . . . . . . . 189 ILE H . 53202 1 324 . 1 . 1 76 76 ILE C C 13 172.487 0.000 . . . . . . . 189 ILE C . 53202 1 325 . 1 . 1 76 76 ILE CA C 13 58.722 0.000 . . . . . . . 189 ILE CA . 53202 1 326 . 1 . 1 76 76 ILE CB C 13 35.805 0.000 . . . . . . . 189 ILE CB . 53202 1 327 . 1 . 1 76 76 ILE N N 15 120.063 0.000 . . . . . . . 189 ILE N . 53202 1 328 . 1 . 1 77 77 VAL H H 1 7.561 0.000 . . . . . . . 190 VAL H . 53202 1 329 . 1 . 1 77 77 VAL C C 13 178.167 0.000 . . . . . . . 190 VAL C . 53202 1 330 . 1 . 1 77 77 VAL CA C 13 61.068 0.000 . . . . . . . 190 VAL CA . 53202 1 331 . 1 . 1 77 77 VAL CB C 13 30.395 0.000 . . . . . . . 190 VAL CB . 53202 1 332 . 1 . 1 77 77 VAL N N 15 127.823 0.000 . . . . . . . 190 VAL N . 53202 1 stop_ save_