################################### # 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 52660 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 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 $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 1H-15N HSQC' . . . 52660 1 2 '2D 1H-13C HSQC' . . . 52660 1 3 '3D Best-HNCO' . . . 52660 1 4 '3D CBCA(CO)NH' . . . 52660 1 5 '3D Best-HNCA' . . . 52660 1 6 '3D Best-HN(CA)CO' . . . 52660 1 7 '3D Best-HNCACB' . . . 52660 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 . . 52660 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 PRO C C 13 177.080 . . 1 . . . . . 143 PRO C . 52660 1 2 . 1 . 1 2 2 PRO CA C 13 63.069 . . 1 . . . . . 143 PRO CA . 52660 1 3 . 1 . 1 2 2 PRO CB C 13 32.302 . . 1 . . . . . 143 PRO CB . 52660 1 4 . 1 . 1 2 2 PRO CG C 13 27.108 . . 1 . . . . . 143 PRO CG . 52660 1 5 . 1 . 1 2 2 PRO CD C 13 49.650 . . 1 . . . . . 143 PRO CD . 52660 1 6 . 1 . 1 3 3 LEU H H 1 8.561 . . 1 . . . . . 144 LEU HN . 52660 1 7 . 1 . 1 3 3 LEU C C 13 178.011 . . 1 . . . . . 144 LEU C . 52660 1 8 . 1 . 1 3 3 LEU CA C 13 55.443 . . 1 . . . . . 144 LEU CA . 52660 1 9 . 1 . 1 3 3 LEU CB C 13 42.371 . . 1 . . . . . 144 LEU CB . 52660 1 10 . 1 . 1 3 3 LEU CG C 13 27.027 . . 1 . . . . . 144 LEU CG . 52660 1 11 . 1 . 1 3 3 LEU CD1 C 13 24.890 . . 1 . . . . . 144 LEU CD1 . 52660 1 12 . 1 . 1 3 3 LEU CD2 C 13 23.607 . . 1 . . . . . 144 LEU CD2 . 52660 1 13 . 1 . 1 3 3 LEU N N 15 122.519 . . 1 . . . . . 144 LEU N . 52660 1 14 . 1 . 1 4 4 GLY H H 1 8.463 . . 1 . . . . . 145 GLY HN . 52660 1 15 . 1 . 1 4 4 GLY C C 13 174.272 . . 1 . . . . . 145 GLY C . 52660 1 16 . 1 . 1 4 4 GLY CA C 13 45.283 . . 1 . . . . . 145 GLY CA . 52660 1 17 . 1 . 1 4 4 GLY N N 15 110.044 . . 1 . . . . . 145 GLY N . 52660 1 18 . 1 . 1 5 5 SER H H 1 8.300 . . 1 . . . . . 146 SER HN . 52660 1 19 . 1 . 1 5 5 SER C C 13 175.184 . . 1 . . . . . 146 SER C . 52660 1 20 . 1 . 1 5 5 SER CA C 13 58.542 . . 1 . . . . . 146 SER CA . 52660 1 21 . 1 . 1 5 5 SER CB C 13 64.075 . . 1 . . . . . 146 SER CB . 52660 1 22 . 1 . 1 5 5 SER N N 15 115.765 . . 1 . . . . . 146 SER N . 52660 1 23 . 1 . 1 6 6 GLY H H 1 8.620 . . 1 . . . . . 147 GLY HN . 52660 1 24 . 1 . 1 6 6 GLY C C 13 173.764 . . 1 . . . . . 147 GLY C . 52660 1 25 . 1 . 1 6 6 GLY CA C 13 45.352 . . 1 . . . . . 147 GLY CA . 52660 1 26 . 1 . 1 6 6 GLY N N 15 111.321 . . 1 . . . . . 147 GLY N . 52660 1 27 . 1 . 1 7 7 LYS H H 1 8.199 . . 1 . . . . . 148 LYS HN . 52660 1 28 . 1 . 1 7 7 LYS C C 13 175.890 . . 1 . . . . . 148 LYS C . 52660 1 29 . 1 . 1 7 7 LYS CA C 13 55.917 . . 1 . . . . . 148 LYS CA . 52660 1 30 . 1 . 1 7 7 LYS CB C 13 33.322 . . 1 . . . . . 148 LYS CB . 52660 1 31 . 1 . 1 7 7 LYS N N 15 120.682 . . 1 . . . . . 148 LYS N . 52660 1 32 . 1 . 1 8 8 ARG H H 1 8.370 . . 1 . . . . . 149 ARG HN . 52660 1 33 . 1 . 1 8 8 ARG CB C 13 31.111 . . 1 . . . . . 149 ARG CB . 52660 1 34 . 1 . 1 8 8 ARG N N 15 122.877 . . 1 . . . . . 149 ARG N . 52660 1 35 . 1 . 1 12 12 PRO C C 13 176.229 . . 1 . . . . . 153 PRO C . 52660 1 36 . 1 . 1 12 12 PRO CA C 13 63.160 . . 1 . . . . . 153 PRO CA . 52660 1 37 . 1 . 1 12 12 PRO CB C 13 32.035 . . 1 . . . . . 153 PRO CB . 52660 1 38 . 1 . 1 13 13 ALA H H 1 8.308 . . 1 . . . . . 154 ALA HN . 52660 1 39 . 1 . 1 13 13 ALA C C 13 177.329 . . 1 . . . . . 154 ALA C . 52660 1 40 . 1 . 1 13 13 ALA CA C 13 52.077 . . 1 . . . . . 154 ALA CA . 52660 1 41 . 1 . 1 13 13 ALA CB C 13 19.173 . . 1 . . . . . 154 ALA CB . 52660 1 42 . 1 . 1 13 13 ALA N N 15 124.286 . . 1 . . . . . 154 ALA N . 52660 1 43 . 1 . 1 14 14 LEU H H 1 8.145 . . 1 . . . . . 155 LEU HN . 52660 1 44 . 1 . 1 14 14 LEU CA C 13 52.585 . . 1 . . . . . 155 LEU CA . 52660 1 45 . 1 . 1 14 14 LEU N N 15 123.126 . . 1 . . . . . 155 LEU N . 52660 1 46 . 1 . 1 16 16 PRO C C 13 177.844 . . 1 . . . . . 157 PRO C . 52660 1 47 . 1 . 1 16 16 PRO CA C 13 64.602 . . 1 . . . . . 157 PRO CA . 52660 1 48 . 1 . 1 16 16 PRO CB C 13 32.302 . . 1 . . . . . 157 PRO CB . 52660 1 49 . 1 . 1 16 16 PRO CG C 13 27.962 . . 1 . . . . . 157 PRO CG . 52660 1 50 . 1 . 1 17 17 GLY H H 1 8.660 . . 1 . . . . . 158 GLY HN . 52660 1 51 . 1 . 1 17 17 GLY C C 13 174.849 . . 1 . . . . . 158 GLY C . 52660 1 52 . 1 . 1 17 17 GLY CA C 13 45.473 . . 1 . . . . . 158 GLY CA . 52660 1 53 . 1 . 1 17 17 GLY N N 15 111.537 . . 1 . . . . . 158 GLY N . 52660 1 54 . 1 . 1 18 18 TRP H H 1 7.836 . . 1 . . . . . 159 TRP HN . 52660 1 55 . 1 . 1 18 18 TRP HE1 H 1 10.820 . . 1 . . . . . 159 TRP HE1 . 52660 1 56 . 1 . 1 18 18 TRP C C 13 176.930 . . 1 . . . . . 159 TRP C . 52660 1 57 . 1 . 1 18 18 TRP CA C 13 59.281 . . 1 . . . . . 159 TRP CA . 52660 1 58 . 1 . 1 18 18 TRP CB C 13 30.389 . . 1 . . . . . 159 TRP CB . 52660 1 59 . 1 . 1 18 18 TRP N N 15 121.443 . . 1 . . . . . 159 TRP N . 52660 1 60 . 1 . 1 18 18 TRP NE1 N 15 129.853 . . 1 . . . . . 159 TRP NE1 . 52660 1 61 . 1 . 1 19 19 LYS H H 1 8.881 . . 1 . . . . . 160 LYS HN . 52660 1 62 . 1 . 1 19 19 LYS CA C 13 54.226 . . 1 . . . . . 160 LYS CA . 52660 1 63 . 1 . 1 19 19 LYS N N 15 120.046 . . 1 . . . . . 160 LYS N . 52660 1 64 . 1 . 1 21 21 GLU C C 13 175.665 . . 1 . . . . . 162 GLU C . 52660 1 65 . 1 . 1 21 21 GLU CA C 13 55.101 . . 1 . . . . . 162 GLU CA . 52660 1 66 . 1 . 1 21 21 GLU CB C 13 33.278 . . 1 . . . . . 162 GLU CB . 52660 1 67 . 1 . 1 22 22 GLU H H 1 8.414 . . 1 . . . . . 163 GLU HN . 52660 1 68 . 1 . 1 22 22 GLU C C 13 175.889 . . 1 . . . . . 163 GLU C . 52660 1 69 . 1 . 1 22 22 GLU CA C 13 54.440 . . 1 . . . . . 163 GLU CA . 52660 1 70 . 1 . 1 22 22 GLU N N 15 121.686 . . 1 . . . . . 163 GLU N . 52660 1 71 . 1 . 1 23 23 VAL H H 1 7.939 . . 1 . . . . . 164 VAL HN . 52660 1 72 . 1 . 1 23 23 VAL C C 13 175.709 . . 1 . . . . . 164 VAL C . 52660 1 73 . 1 . 1 23 23 VAL CA C 13 62.418 . . 1 . . . . . 164 VAL CA . 52660 1 74 . 1 . 1 23 23 VAL CB C 13 33.256 . . 1 . . . . . 164 VAL CB . 52660 1 75 . 1 . 1 23 23 VAL N N 15 119.468 . . 1 . . . . . 164 VAL N . 52660 1 76 . 1 . 1 24 24 ILE H H 1 8.120 . . 1 . . . . . 165 ILE HN . 52660 1 77 . 1 . 1 24 24 ILE CA C 13 57.663 . . 1 . . . . . 165 ILE CA . 52660 1 78 . 1 . 1 24 24 ILE CB C 13 39.868 . . 1 . . . . . 165 ILE CB . 52660 1 79 . 1 . 1 24 24 ILE N N 15 123.151 . . 1 . . . . . 165 ILE N . 52660 1 80 . 1 . 1 25 25 ARG H H 1 7.809 . . 1 . . . . . 166 ARG HN . 52660 1 81 . 1 . 1 25 25 ARG CA C 13 57.567 . . 1 . . . . . 166 ARG CA . 52660 1 82 . 1 . 1 25 25 ARG N N 15 126.268 . . 1 . . . . . 166 ARG N . 52660 1 83 . 1 . 1 27 27 SER C C 13 175.112 . . 1 . . . . . 168 SER C . 52660 1 84 . 1 . 1 27 27 SER CA C 13 57.897 . . 1 . . . . . 168 SER CA . 52660 1 85 . 1 . 1 27 27 SER CB C 13 63.545 . . 1 . . . . . 168 SER CB . 52660 1 86 . 1 . 1 28 28 GLY H H 1 8.330 . . 1 . . . . . 169 GLY HN . 52660 1 87 . 1 . 1 28 28 GLY CA C 13 45.469 . . 1 . . . . . 169 GLY CA . 52660 1 88 . 1 . 1 28 28 GLY N N 15 111.817 . . 1 . . . . . 169 GLY N . 52660 1 89 . 1 . 1 29 29 LEU C C 13 178.370 . . 1 . . . . . 170 LEU C . 52660 1 90 . 1 . 1 29 29 LEU CB C 13 42.054 . . 1 . . . . . 170 LEU CB . 52660 1 91 . 1 . 1 30 30 SER H H 1 8.373 . . 1 . . . . . 171 SER HN . 52660 1 92 . 1 . 1 30 30 SER C C 13 173.582 . . 1 . . . . . 171 SER C . 52660 1 93 . 1 . 1 30 30 SER CA C 13 57.831 . . 1 . . . . . 171 SER CA . 52660 1 94 . 1 . 1 30 30 SER CB C 13 63.278 . . 1 . . . . . 171 SER CB . 52660 1 95 . 1 . 1 30 30 SER N N 15 114.244 . . 1 . . . . . 171 SER N . 52660 1 96 . 1 . 1 31 31 ALA H H 1 7.726 . . 1 . . . . . 172 ALA HN . 52660 1 97 . 1 . 1 31 31 ALA C C 13 178.227 . . 1 . . . . . 172 ALA C . 52660 1 98 . 1 . 1 31 31 ALA CA C 13 53.255 . . 1 . . . . . 172 ALA CA . 52660 1 99 . 1 . 1 31 31 ALA CB C 13 18.541 . . 1 . . . . . 172 ALA CB . 52660 1 100 . 1 . 1 31 31 ALA N N 15 123.565 . . 1 . . . . . 172 ALA N . 52660 1 101 . 1 . 1 32 32 GLY H H 1 8.556 . . 1 . . . . . 173 GLY HN . 52660 1 102 . 1 . 1 32 32 GLY C C 13 174.119 . . 1 . . . . . 173 GLY C . 52660 1 103 . 1 . 1 32 32 GLY CA C 13 45.184 . . 1 . . . . . 173 GLY CA . 52660 1 104 . 1 . 1 32 32 GLY N N 15 109.458 . . 1 . . . . . 173 GLY N . 52660 1 105 . 1 . 1 33 33 LYS H H 1 8.111 . . 1 . . . . . 174 LYS HN . 52660 1 106 . 1 . 1 33 33 LYS C C 13 175.696 . . 1 . . . . . 174 LYS C . 52660 1 107 . 1 . 1 33 33 LYS CA C 13 55.905 . . 1 . . . . . 174 LYS CA . 52660 1 108 . 1 . 1 33 33 LYS CB C 13 33.601 . . 1 . . . . . 174 LYS CB . 52660 1 109 . 1 . 1 33 33 LYS N N 15 120.881 . . 1 . . . . . 174 LYS N . 52660 1 110 . 1 . 1 34 34 SER H H 1 8.469 . . 1 . . . . . 175 SER HN . 52660 1 111 . 1 . 1 34 34 SER C C 13 173.884 . . 1 . . . . . 175 SER C . 52660 1 112 . 1 . 1 34 34 SER CA C 13 57.381 . . 1 . . . . . 175 SER CA . 52660 1 113 . 1 . 1 34 34 SER CB C 13 65.213 . . 1 . . . . . 175 SER CB . 52660 1 114 . 1 . 1 34 34 SER N N 15 116.610 . . 1 . . . . . 175 SER N . 52660 1 115 . 1 . 1 35 35 ASP H H 1 8.789 . . 1 . . . . . 176 ASP HN . 52660 1 116 . 1 . 1 35 35 ASP C C 13 173.939 . . 1 . . . . . 176 ASP C . 52660 1 117 . 1 . 1 35 35 ASP CA C 13 53.787 . . 1 . . . . . 176 ASP CA . 52660 1 118 . 1 . 1 35 35 ASP CB C 13 44.272 . . 1 . . . . . 176 ASP CB . 52660 1 119 . 1 . 1 35 35 ASP N N 15 122.927 . . 1 . . . . . 176 ASP N . 52660 1 120 . 1 . 1 36 36 VAL H H 1 8.090 . . 1 . . . . . 177 VAL HN . 52660 1 121 . 1 . 1 36 36 VAL C C 13 173.534 . . 1 . . . . . 177 VAL C . 52660 1 122 . 1 . 1 36 36 VAL CA C 13 61.471 . . 1 . . . . . 177 VAL CA . 52660 1 123 . 1 . 1 36 36 VAL N N 15 121.442 . . 1 . . . . . 177 VAL N . 52660 1 124 . 1 . 1 37 37 TYR H H 1 8.531 . . 1 . . . . . 178 TYR HN . 52660 1 125 . 1 . 1 37 37 TYR CA C 13 54.810 . . 1 . . . . . 178 TYR CA . 52660 1 126 . 1 . 1 37 37 TYR N N 15 122.359 . . 1 . . . . . 178 TYR N . 52660 1 127 . 1 . 1 38 38 TYR C C 13 174.903 . . 1 . . . . . 179 TYR C . 52660 1 128 . 1 . 1 38 38 TYR CB C 13 43.075 . . 1 . . . . . 179 TYR CB . 52660 1 129 . 1 . 1 39 39 PHE H H 1 9.555 . . 1 . . . . . 180 PHE HN . 52660 1 130 . 1 . 1 39 39 PHE C C 13 175.225 . . 1 . . . . . 180 PHE C . 52660 1 131 . 1 . 1 39 39 PHE CA C 13 55.784 . . 1 . . . . . 180 PHE CA . 52660 1 132 . 1 . 1 39 39 PHE CB C 13 42.742 . . 1 . . . . . 180 PHE CB . 52660 1 133 . 1 . 1 39 39 PHE N N 15 118.938 . . 1 . . . . . 180 PHE N . 52660 1 134 . 1 . 1 40 40 SER H H 1 8.881 . . 1 . . . . . 181 SER HN . 52660 1 135 . 1 . 1 40 40 SER CA C 13 55.621 . . 1 . . . . . 181 SER CA . 52660 1 136 . 1 . 1 40 40 SER CB C 13 62.756 . . 1 . . . . . 181 SER CB . 52660 1 137 . 1 . 1 40 40 SER N N 15 118.833 . . 1 . . . . . 181 SER N . 52660 1 138 . 1 . 1 42 42 SER CA C 13 58.257 . . 1 . . . . . 183 SER CA . 52660 1 139 . 1 . 1 42 42 SER CB C 13 64.017 . . 1 . . . . . 183 SER CB . 52660 1 140 . 1 . 1 43 43 GLY H H 1 8.522 . . 1 . . . . . 184 GLY HN . 52660 1 141 . 1 . 1 43 43 GLY C C 13 174.199 . . 1 . . . . . 184 GLY C . 52660 1 142 . 1 . 1 43 43 GLY CA C 13 45.368 . . 1 . . . . . 184 GLY CA . 52660 1 143 . 1 . 1 43 43 GLY N N 15 110.995 . . 1 . . . . . 184 GLY N . 52660 1 144 . 1 . 1 44 44 LYS H H 1 7.480 . . 1 . . . . . 185 LYS HN . 52660 1 145 . 1 . 1 44 44 LYS C C 13 174.305 . . 1 . . . . . 185 LYS C . 52660 1 146 . 1 . 1 44 44 LYS CA C 13 56.448 . . 1 . . . . . 185 LYS CA . 52660 1 147 . 1 . 1 44 44 LYS N N 15 122.163 . . 1 . . . . . 185 LYS N . 52660 1 148 . 1 . 1 45 45 LYS H H 1 7.997 . . 1 . . . . . 186 LYS HN . 52660 1 149 . 1 . 1 45 45 LYS C C 13 175.938 . . 1 . . . . . 186 LYS C . 52660 1 150 . 1 . 1 45 45 LYS CA C 13 55.629 . . 1 . . . . . 186 LYS CA . 52660 1 151 . 1 . 1 45 45 LYS N N 15 124.310 . . 1 . . . . . 186 LYS N . 52660 1 152 . 1 . 1 46 46 PHE H H 1 9.572 . . 1 . . . . . 187 PHE HN . 52660 1 153 . 1 . 1 46 46 PHE C C 13 176.063 . . 1 . . . . . 187 PHE C . 52660 1 154 . 1 . 1 46 46 PHE CA C 13 58.009 . . 1 . . . . . 187 PHE CA . 52660 1 155 . 1 . 1 46 46 PHE CB C 13 42.881 . . 1 . . . . . 187 PHE CB . 52660 1 156 . 1 . 1 46 46 PHE N N 15 124.174 . . 1 . . . . . 187 PHE N . 52660 1 157 . 1 . 1 47 47 ARG H H 1 9.190 . . 1 . . . . . 188 ARG HN . 52660 1 158 . 1 . 1 47 47 ARG C C 13 175.088 . . 1 . . . . . 188 ARG C . 52660 1 159 . 1 . 1 47 47 ARG CA C 13 55.558 . . 1 . . . . . 188 ARG CA . 52660 1 160 . 1 . 1 47 47 ARG CG C 13 27.137 . . 1 . . . . . 188 ARG CG . 52660 1 161 . 1 . 1 47 47 ARG N N 15 118.304 . . 1 . . . . . 188 ARG N . 52660 1 162 . 1 . 1 48 48 SER H H 1 7.795 . . 1 . . . . . 189 SER HN . 52660 1 163 . 1 . 1 48 48 SER C C 13 172.901 . . 1 . . . . . 189 SER C . 52660 1 164 . 1 . 1 48 48 SER CA C 13 56.807 . . 1 . . . . . 189 SER CA . 52660 1 165 . 1 . 1 48 48 SER CB C 13 66.334 . . 1 . . . . . 189 SER CB . 52660 1 166 . 1 . 1 48 48 SER N N 15 114.083 . . 1 . . . . . 189 SER N . 52660 1 167 . 1 . 1 49 49 LYS H H 1 8.921 . . 1 . . . . . 190 LYS HN . 52660 1 168 . 1 . 1 49 49 LYS CA C 13 61.521 . . 1 . . . . . 190 LYS CA . 52660 1 169 . 1 . 1 49 49 LYS N N 15 123.092 . . 1 . . . . . 190 LYS N . 52660 1 170 . 1 . 1 50 50 PRO C C 13 179.566 . . 1 . . . . . 191 PRO C . 52660 1 171 . 1 . 1 50 50 PRO CA C 13 66.167 . . 1 . . . . . 191 PRO CA . 52660 1 172 . 1 . 1 51 51 GLN H H 1 7.150 . . 1 . . . . . 192 GLN HN . 52660 1 173 . 1 . 1 51 51 GLN C C 13 179.364 . . 1 . . . . . 192 GLN C . 52660 1 174 . 1 . 1 51 51 GLN CA C 13 58.983 . . 1 . . . . . 192 GLN CA . 52660 1 175 . 1 . 1 51 51 GLN N N 15 115.668 . . 1 . . . . . 192 GLN N . 52660 1 176 . 1 . 1 52 52 LEU H H 1 7.849 . . 1 . . . . . 193 LEU HN . 52660 1 177 . 1 . 1 52 52 LEU C C 13 177.636 . . 1 . . . . . 193 LEU C . 52660 1 178 . 1 . 1 52 52 LEU CA C 13 58.151 . . 1 . . . . . 193 LEU CA . 52660 1 179 . 1 . 1 52 52 LEU N N 15 122.266 . . 1 . . . . . 193 LEU N . 52660 1 180 . 1 . 1 53 53 ALA H H 1 8.929 . . 1 . . . . . 194 ALA HN . 52660 1 181 . 1 . 1 53 53 ALA C C 13 181.270 . . 1 . . . . . 194 ALA C . 52660 1 182 . 1 . 1 53 53 ALA CA C 13 54.589 . . 1 . . . . . 194 ALA CA . 52660 1 183 . 1 . 1 53 53 ALA CB C 13 18.246 . . 1 . . . . . 194 ALA CB . 52660 1 184 . 1 . 1 53 53 ALA N N 15 120.325 . . 1 . . . . . 194 ALA N . 52660 1 185 . 1 . 1 54 54 ARG H H 1 7.927 . . 1 . . . . . 195 ARG HN . 52660 1 186 . 1 . 1 54 54 ARG C C 13 177.919 . . 1 . . . . . 195 ARG C . 52660 1 187 . 1 . 1 54 54 ARG CA C 13 58.710 . . 1 . . . . . 195 ARG CA . 52660 1 188 . 1 . 1 54 54 ARG N N 15 117.817 . . 1 . . . . . 195 ARG N . 52660 1 189 . 1 . 1 55 55 TYR H H 1 7.503 . . 1 . . . . . 196 TYR HN . 52660 1 190 . 1 . 1 55 55 TYR CA C 13 61.115 . . 1 . . . . . 196 TYR CA . 52660 1 191 . 1 . 1 55 55 TYR N N 15 119.235 . . 1 . . . . . 196 TYR N . 52660 1 192 . 1 . 1 56 56 LEU C C 13 178.703 . . 1 . . . . . 197 LEU C . 52660 1 193 . 1 . 1 56 56 LEU CA C 13 55.977 . . 1 . . . . . 197 LEU CA . 52660 1 194 . 1 . 1 57 57 GLY H H 1 7.880 . . 1 . . . . . 198 GLY HN . 52660 1 195 . 1 . 1 57 57 GLY C C 13 174.070 . . 1 . . . . . 198 GLY C . 52660 1 196 . 1 . 1 57 57 GLY CA C 13 46.161 . . 1 . . . . . 198 GLY CA . 52660 1 197 . 1 . 1 57 57 GLY N N 15 108.245 . . 1 . . . . . 198 GLY N . 52660 1 198 . 1 . 1 58 58 ASN H H 1 8.582 . . 1 . . . . . 199 ASN HN . 52660 1 199 . 1 . 1 58 58 ASN C C 13 176.661 . . 1 . . . . . 199 ASN C . 52660 1 200 . 1 . 1 58 58 ASN CA C 13 53.639 . . 1 . . . . . 199 ASN CA . 52660 1 201 . 1 . 1 58 58 ASN CB C 13 38.010 . . 1 . . . . . 199 ASN CB . 52660 1 202 . 1 . 1 58 58 ASN N N 15 118.687 . . 1 . . . . . 199 ASN N . 52660 1 203 . 1 . 1 59 59 THR H H 1 8.068 . . 1 . . . . . 200 THR HN . 52660 1 204 . 1 . 1 59 59 THR C C 13 174.296 . . 1 . . . . . 200 THR C . 52660 1 205 . 1 . 1 59 59 THR CA C 13 64.006 . . 1 . . . . . 200 THR CA . 52660 1 206 . 1 . 1 59 59 THR N N 15 110.836 . . 1 . . . . . 200 THR N . 52660 1 207 . 1 . 1 60 60 VAL H H 1 7.054 . . 1 . . . . . 201 VAL HN . 52660 1 208 . 1 . 1 60 60 VAL C C 13 173.403 . . 1 . . . . . 201 VAL C . 52660 1 209 . 1 . 1 60 60 VAL CA C 13 60.708 . . 1 . . . . . 201 VAL CA . 52660 1 210 . 1 . 1 60 60 VAL N N 15 118.532 . . 1 . . . . . 201 VAL N . 52660 1 211 . 1 . 1 61 61 ASP H H 1 8.429 . . 1 . . . . . 202 ASP HN . 52660 1 212 . 1 . 1 61 61 ASP C C 13 177.011 . . 1 . . . . . 202 ASP C . 52660 1 213 . 1 . 1 61 61 ASP CA C 13 53.299 . . 1 . . . . . 202 ASP CA . 52660 1 214 . 1 . 1 61 61 ASP N N 15 124.129 . . 1 . . . . . 202 ASP N . 52660 1 215 . 1 . 1 62 62 LEU H H 1 9.006 . . 1 . . . . . 203 LEU HN . 52660 1 216 . 1 . 1 62 62 LEU CA C 13 53.678 . . 1 . . . . . 203 LEU CA . 52660 1 217 . 1 . 1 62 62 LEU N N 15 126.769 . . 1 . . . . . 203 LEU N . 52660 1 218 . 1 . 1 65 65 PHE C C 13 174.788 . . 1 . . . . . 206 PHE C . 52660 1 219 . 1 . 1 65 65 PHE CA C 13 58.330 . . 1 . . . . . 206 PHE CA . 52660 1 220 . 1 . 1 65 65 PHE CB C 13 39.937 . . 1 . . . . . 206 PHE CB . 52660 1 221 . 1 . 1 66 66 ASP H H 1 8.087 . . 1 . . . . . 207 ASP HN . 52660 1 222 . 1 . 1 66 66 ASP C C 13 176.038 . . 1 . . . . . 207 ASP C . 52660 1 223 . 1 . 1 66 66 ASP CA C 13 53.646 . . 1 . . . . . 207 ASP CA . 52660 1 224 . 1 . 1 66 66 ASP CB C 13 41.793 . . 1 . . . . . 207 ASP CB . 52660 1 225 . 1 . 1 66 66 ASP N N 15 123.039 . . 1 . . . . . 207 ASP N . 52660 1 226 . 1 . 1 67 67 PHE H H 1 8.241 . . 1 . . . . . 208 PHE HN . 52660 1 227 . 1 . 1 67 67 PHE CA C 13 59.143 . . 1 . . . . . 208 PHE CA . 52660 1 228 . 1 . 1 67 67 PHE CB C 13 38.894 . . 1 . . . . . 208 PHE CB . 52660 1 229 . 1 . 1 67 67 PHE N N 15 122.599 . . 1 . . . . . 208 PHE N . 52660 1 230 . 1 . 1 68 68 ARG H H 1 8.196 . . 1 . . . . . 209 ARG HN . 52660 1 231 . 1 . 1 68 68 ARG C C 13 177.297 . . 1 . . . . . 209 ARG C . 52660 1 232 . 1 . 1 68 68 ARG CA C 13 57.536 . . 1 . . . . . 209 ARG CA . 52660 1 233 . 1 . 1 68 68 ARG N N 15 120.545 . . 1 . . . . . 209 ARG N . 52660 1 234 . 1 . 1 69 69 THR H H 1 7.771 . . 1 . . . . . 210 THR HN . 52660 1 235 . 1 . 1 69 69 THR C C 13 175.611 . . 1 . . . . . 210 THR C . 52660 1 236 . 1 . 1 69 69 THR CA C 13 62.025 . . 1 . . . . . 210 THR CA . 52660 1 237 . 1 . 1 69 69 THR N N 15 110.716 . . 1 . . . . . 210 THR N . 52660 1 238 . 1 . 1 70 70 GLY H H 1 8.274 . . 1 . . . . . 211 GLY HN . 52660 1 239 . 1 . 1 70 70 GLY C C 13 173.865 . . 1 . . . . . 211 GLY C . 52660 1 240 . 1 . 1 70 70 GLY CA C 13 45.737 . . 1 . . . . . 211 GLY CA . 52660 1 241 . 1 . 1 70 70 GLY N N 15 111.039 . . 1 . . . . . 211 GLY N . 52660 1 242 . 1 . 1 71 71 LYS H H 1 7.842 . . 1 . . . . . 212 LYS HN . 52660 1 243 . 1 . 1 71 71 LYS CA C 13 55.700 . . 1 . . . . . 212 LYS CA . 52660 1 244 . 1 . 1 71 71 LYS CB C 13 33.511 . . 1 . . . . . 212 LYS CB . 52660 1 245 . 1 . 1 71 71 LYS N N 15 119.870 . . 1 . . . . . 212 LYS N . 52660 1 246 . 1 . 1 74 74 PRO C C 13 176.894 . . 1 . . . . . 215 PRO C . 52660 1 247 . 1 . 1 74 74 PRO CA C 13 63.118 . . 1 . . . . . 215 PRO CA . 52660 1 248 . 1 . 1 75 75 SER H H 1 8.415 . . 1 . . . . . 216 SER HN . 52660 1 249 . 1 . 1 75 75 SER C C 13 174.689 . . 1 . . . . . 216 SER C . 52660 1 250 . 1 . 1 75 75 SER CA C 13 58.339 . . 1 . . . . . 216 SER CA . 52660 1 251 . 1 . 1 75 75 SER CB C 13 63.959 . . 1 . . . . . 216 SER CB . 52660 1 252 . 1 . 1 75 75 SER N N 15 116.443 . . 1 . . . . . 216 SER N . 52660 1 253 . 1 . 1 76 76 LYS H H 1 8.392 . . 1 . . . . . 217 LYS HN . 52660 1 254 . 1 . 1 76 76 LYS C C 13 176.308 . . 1 . . . . . 217 LYS C . 52660 1 255 . 1 . 1 76 76 LYS CA C 13 56.345 . . 1 . . . . . 217 LYS CA . 52660 1 256 . 1 . 1 76 76 LYS CB C 13 32.972 . . 1 . . . . . 217 LYS CB . 52660 1 257 . 1 . 1 76 76 LYS N N 15 123.189 . . 1 . . . . . 217 LYS N . 52660 1 258 . 1 . 1 77 77 LEU H H 1 8.203 . . 1 . . . . . 218 LEU HN . 52660 1 259 . 1 . 1 77 77 LEU C C 13 177.039 . . 1 . . . . . 218 LEU C . 52660 1 260 . 1 . 1 77 77 LEU CA C 13 55.165 . . 1 . . . . . 218 LEU CA . 52660 1 261 . 1 . 1 77 77 LEU CB C 13 42.343 . . 1 . . . . . 218 LEU CB . 52660 1 262 . 1 . 1 77 77 LEU N N 15 123.012 . . 1 . . . . . 218 LEU N . 52660 1 263 . 1 . 1 78 78 GLN H H 1 8.290 . . 1 . . . . . 219 GLN HN . 52660 1 264 . 1 . 1 78 78 GLN C C 13 174.778 . . 1 . . . . . 219 GLN C . 52660 1 265 . 1 . 1 78 78 GLN CA C 13 55.696 . . 1 . . . . . 219 GLN CA . 52660 1 266 . 1 . 1 78 78 GLN CB C 13 29.671 . . 1 . . . . . 219 GLN CB . 52660 1 267 . 1 . 1 78 78 GLN N N 15 122.059 . . 1 . . . . . 219 GLN N . 52660 1 268 . 1 . 1 79 79 LYS H H 1 8.000 . . 1 . . . . . 220 LYS HN . 52660 1 269 . 1 . 1 79 79 LYS CA C 13 57.791 . . 1 . . . . . 220 LYS CA . 52660 1 270 . 1 . 1 79 79 LYS CB C 13 33.663 . . 1 . . . . . 220 LYS CB . 52660 1 271 . 1 . 1 79 79 LYS N N 15 128.463 . . 1 . . . . . 220 LYS N . 52660 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52660 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 8 '2D 1H-15N HSQC' . . . 52660 2 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 . . 52660 2 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 3 3 LEU H H 1 8.569 . . 1 . . . . . 144 LEU HN . 52660 2 2 . 1 . 1 3 3 LEU N N 15 122.538 . . 1 . . . . . 144 LEU N . 52660 2 3 . 1 . 1 4 4 GLY H H 1 8.464 . . 1 . . . . . 145 GLY HN . 52660 2 4 . 1 . 1 4 4 GLY N N 15 110.097 . . 1 . . . . . 145 GLY N . 52660 2 5 . 1 . 1 5 5 SER H H 1 8.296 . . 1 . . . . . 146 SER HN . 52660 2 6 . 1 . 1 5 5 SER N N 15 115.824 . . 1 . . . . . 146 SER N . 52660 2 7 . 1 . 1 6 6 GLY H H 1 8.629 . . 1 . . . . . 147 GLY HN . 52660 2 8 . 1 . 1 6 6 GLY N N 15 111.425 . . 1 . . . . . 147 GLY N . 52660 2 9 . 1 . 1 7 7 LYS H H 1 8.195 . . 1 . . . . . 148 LYS HN . 52660 2 10 . 1 . 1 7 7 LYS N N 15 120.693 . . 1 . . . . . 148 LYS N . 52660 2 11 . 1 . 1 17 17 GLY H H 1 8.654 . . 1 . . . . . 158 GLY HN . 52660 2 12 . 1 . 1 17 17 GLY N N 15 111.572 . . 1 . . . . . 158 GLY N . 52660 2 13 . 1 . 1 18 18 TRP H H 1 7.830 . . 1 . . . . . 159 TRP HN . 52660 2 14 . 1 . 1 18 18 TRP HE1 H 1 10.811 . . 1 . . . . . 159 TRP HE1 . 52660 2 15 . 1 . 1 18 18 TRP N N 15 121.480 . . 1 . . . . . 159 TRP N . 52660 2 16 . 1 . 1 18 18 TRP NE1 N 15 129.862 . . 1 . . . . . 159 TRP NE1 . 52660 2 17 . 1 . 1 19 19 LYS H H 1 8.877 . . 1 . . . . . 160 LYS HN . 52660 2 18 . 1 . 1 19 19 LYS N N 15 120.082 . . 1 . . . . . 160 LYS N . 52660 2 19 . 1 . 1 20 20 LYS H H 1 8.553 . . 1 . . . . . 161 LYS HN . 52660 2 20 . 1 . 1 20 20 LYS N N 15 124.427 . . 1 . . . . . 161 LYS N . 52660 2 21 . 1 . 1 22 22 GLU H H 1 8.481 . . 1 . . . . . 163 GLU HN . 52660 2 22 . 1 . 1 22 22 GLU N N 15 121.686 . . 1 . . . . . 163 GLU N . 52660 2 23 . 1 . 1 28 28 GLY H H 1 8.329 . . 1 . . . . . 169 GLY HN . 52660 2 24 . 1 . 1 28 28 GLY N N 15 111.877 . . 1 . . . . . 169 GLY N . 52660 2 25 . 1 . 1 30 30 SER H H 1 8.375 . . 1 . . . . . 171 SER HN . 52660 2 26 . 1 . 1 30 30 SER N N 15 114.224 . . 1 . . . . . 171 SER N . 52660 2 27 . 1 . 1 31 31 ALA H H 1 7.706 . . 1 . . . . . 172 ALA HN . 52660 2 28 . 1 . 1 31 31 ALA N N 15 123.562 . . 1 . . . . . 172 ALA N . 52660 2 29 . 1 . 1 32 32 GLY H H 1 8.564 . . 1 . . . . . 173 GLY HN . 52660 2 30 . 1 . 1 32 32 GLY N N 15 109.577 . . 1 . . . . . 173 GLY N . 52660 2 31 . 1 . 1 33 33 LYS H H 1 8.107 . . 1 . . . . . 174 LYS HN . 52660 2 32 . 1 . 1 33 33 LYS N N 15 120.943 . . 1 . . . . . 174 LYS N . 52660 2 33 . 1 . 1 34 34 SER H H 1 8.482 . . 1 . . . . . 175 SER HN . 52660 2 34 . 1 . 1 34 34 SER N N 15 116.632 . . 1 . . . . . 175 SER N . 52660 2 35 . 1 . 1 35 35 ASP H H 1 8.785 . . 1 . . . . . 176 ASP HN . 52660 2 36 . 1 . 1 35 35 ASP N N 15 122.895 . . 1 . . . . . 176 ASP N . 52660 2 37 . 1 . 1 36 36 VAL H H 1 8.096 . . 1 . . . . . 177 VAL HN . 52660 2 38 . 1 . 1 36 36 VAL N N 15 121.586 . . 1 . . . . . 177 VAL N . 52660 2 39 . 1 . 1 37 37 TYR H H 1 8.546 . . 1 . . . . . 178 TYR HN . 52660 2 40 . 1 . 1 37 37 TYR N N 15 122.416 . . 1 . . . . . 178 TYR N . 52660 2 41 . 1 . 1 39 39 PHE H H 1 9.546 . . 1 . . . . . 180 PHE HN . 52660 2 42 . 1 . 1 39 39 PHE N N 15 118.891 . . 1 . . . . . 180 PHE N . 52660 2 43 . 1 . 1 40 40 SER H H 1 8.884 . . 1 . . . . . 181 SER HN . 52660 2 44 . 1 . 1 40 40 SER N N 15 118.798 . . 1 . . . . . 181 SER N . 52660 2 45 . 1 . 1 44 44 LYS H H 1 7.460 . . 1 . . . . . 185 LYS HN . 52660 2 46 . 1 . 1 44 44 LYS N N 15 122.187 . . 1 . . . . . 185 LYS N . 52660 2 47 . 1 . 1 45 45 LYS H H 1 7.985 . . 1 . . . . . 186 LYS HN . 52660 2 48 . 1 . 1 45 45 LYS N N 15 124.480 . . 1 . . . . . 186 LYS N . 52660 2 49 . 1 . 1 46 46 PHE H H 1 9.567 . . 1 . . . . . 187 PHE HN . 52660 2 50 . 1 . 1 46 46 PHE N N 15 124.198 . . 1 . . . . . 187 PHE N . 52660 2 51 . 1 . 1 47 47 ARG H H 1 9.206 . . 1 . . . . . 188 ARG HN . 52660 2 52 . 1 . 1 47 47 ARG N N 15 118.350 . . 1 . . . . . 188 ARG N . 52660 2 53 . 1 . 1 48 48 SER H H 1 7.796 . . 1 . . . . . 189 SER HN . 52660 2 54 . 1 . 1 48 48 SER N N 15 114.267 . . 1 . . . . . 189 SER N . 52660 2 55 . 1 . 1 49 49 LYS H H 1 8.920 . . 1 . . . . . 190 LYS HN . 52660 2 56 . 1 . 1 49 49 LYS N N 15 123.231 . . 1 . . . . . 190 LYS N . 52660 2 57 . 1 . 1 51 51 GLN H H 1 7.142 . . 1 . . . . . 192 GLN HN . 52660 2 58 . 1 . 1 51 51 GLN N N 15 115.691 . . 1 . . . . . 192 GLN N . 52660 2 59 . 1 . 1 52 52 LEU H H 1 7.843 . . 1 . . . . . 193 LEU HN . 52660 2 60 . 1 . 1 52 52 LEU N N 15 122.343 . . 1 . . . . . 193 LEU N . 52660 2 61 . 1 . 1 53 53 ALA H H 1 8.886 . . 1 . . . . . 194 ALA HN . 52660 2 62 . 1 . 1 53 53 ALA N N 15 124.863 . . 1 . . . . . 194 ALA N . 52660 2 63 . 1 . 1 54 54 ARG H H 1 7.989 . . 1 . . . . . 195 ARG HN . 52660 2 64 . 1 . 1 54 54 ARG N N 15 118.316 . . 1 . . . . . 195 ARG N . 52660 2 65 . 1 . 1 55 55 TYR H H 1 7.560 . . 1 . . . . . 196 TYR HN . 52660 2 66 . 1 . 1 55 55 TYR N N 15 119.730 . . 1 . . . . . 196 TYR N . 52660 2 67 . 1 . 1 56 56 LEU H H 1 8.738 . . 1 . . . . . 197 LEU HN . 52660 2 68 . 1 . 1 56 56 LEU N N 15 127.465 . . 1 . . . . . 197 LEU N . 52660 2 69 . 1 . 1 57 57 GLY H H 1 7.887 . . 1 . . . . . 198 GLY HN . 52660 2 70 . 1 . 1 57 57 GLY N N 15 108.321 . . 1 . . . . . 198 GLY N . 52660 2 71 . 1 . 1 58 58 ASN H H 1 8.591 . . 1 . . . . . 199 ASN HN . 52660 2 72 . 1 . 1 58 58 ASN N N 15 118.700 . . 1 . . . . . 199 ASN N . 52660 2 73 . 1 . 1 59 59 THR H H 1 8.068 . . 1 . . . . . 200 THR HN . 52660 2 74 . 1 . 1 59 59 THR N N 15 110.851 . . 1 . . . . . 200 THR N . 52660 2 75 . 1 . 1 60 60 VAL H H 1 7.057 . . 1 . . . . . 201 VAL HN . 52660 2 76 . 1 . 1 60 60 VAL N N 15 118.573 . . 1 . . . . . 201 VAL N . 52660 2 77 . 1 . 1 61 61 ASP H H 1 8.438 . . 1 . . . . . 202 ASP HN . 52660 2 78 . 1 . 1 61 61 ASP N N 15 124.159 . . 1 . . . . . 202 ASP N . 52660 2 79 . 1 . 1 62 62 LEU H H 1 9.037 . . 1 . . . . . 203 LEU HN . 52660 2 80 . 1 . 1 62 62 LEU N N 15 126.868 . . 1 . . . . . 203 LEU N . 52660 2 81 . 1 . 1 68 68 ARG H H 1 8.222 . . 1 . . . . . 209 ARG HN . 52660 2 82 . 1 . 1 68 68 ARG N N 15 120.609 . . 1 . . . . . 209 ARG N . 52660 2 83 . 1 . 1 73 73 MET H H 1 8.482 . . 1 . . . . . 214 MET HN . 52660 2 84 . 1 . 1 73 73 MET N N 15 121.686 . . 1 . . . . . 214 MET N . 52660 2 85 . 1 . 1 75 75 SER H H 1 8.419 . . 1 . . . . . 216 SER HN . 52660 2 86 . 1 . 1 75 75 SER N N 15 116.499 . . 1 . . . . . 216 SER N . 52660 2 87 . 1 . 1 76 76 LYS H H 1 8.376 . . 1 . . . . . 217 LYS HN . 52660 2 88 . 1 . 1 76 76 LYS N N 15 122.998 . . 1 . . . . . 217 LYS N . 52660 2 89 . 1 . 1 77 77 LEU H H 1 8.200 . . 1 . . . . . 218 LEU HN . 52660 2 90 . 1 . 1 77 77 LEU N N 15 122.995 . . 1 . . . . . 218 LEU N . 52660 2 91 . 1 . 1 78 78 GLN H H 1 8.296 . . 1 . . . . . 219 GLN HN . 52660 2 92 . 1 . 1 78 78 GLN N N 15 122.107 . . 1 . . . . . 219 GLN N . 52660 2 93 . 1 . 1 79 79 LYS H H 1 8.012 . . 1 . . . . . 220 LYS HN . 52660 2 94 . 1 . 1 79 79 LYS N N 15 128.535 . . 1 . . . . . 220 LYS N . 52660 2 stop_ save_