################################### # 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 17679 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'estimates from peaklists' _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' . . . 17679 1 2 '3D CBCA(CO)NH' . . . 17679 1 3 '3D HNCA' . . . 17679 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 1 1 SER CA C 13 61.981 0.1 . 1 . . . . 168 SER CA . 17679 1 2 . 1 1 2 2 THR C C 13 174.284 0.1 . 1 . . . . 169 THR C . 17679 1 3 . 1 1 2 2 THR CA C 13 61.864 0.1 . 1 . . . . 169 THR CA . 17679 1 4 . 1 1 3 3 LYS H H 1 8.296 0.01 . 1 . . . . 170 LYS H . 17679 1 5 . 1 1 3 3 LYS C C 13 176.283 0.1 . 1 . . . . 170 LYS C . 17679 1 6 . 1 1 3 3 LYS CA C 13 56.318 0.1 . 1 . . . . 170 LYS CA . 17679 1 7 . 1 1 3 3 LYS N N 15 124.627 0.2 . 1 . . . . 170 LYS N . 17679 1 8 . 1 1 4 4 VAL H H 1 8.136 0.01 . 1 . . . . 171 VAL H . 17679 1 9 . 1 1 4 4 VAL C C 13 176.101 0.1 . 1 . . . . 171 VAL C . 17679 1 10 . 1 1 4 4 VAL CA C 13 62.503 0.1 . 1 . . . . 171 VAL CA . 17679 1 11 . 1 1 4 4 VAL N N 15 122.74 0.2 . 1 . . . . 171 VAL N . 17679 1 12 . 1 1 5 5 GLU H H 1 8.358 0.01 . 1 . . . . 172 GLU H . 17679 1 13 . 1 1 5 5 GLU C C 13 176.029 0.1 . 1 . . . . 172 GLU C . 17679 1 14 . 1 1 5 5 GLU CA C 13 56.398 0.1 . 1 . . . . 172 GLU CA . 17679 1 15 . 1 1 5 5 GLU N N 15 125.282 0.2 . 1 . . . . 172 GLU N . 17679 1 16 . 1 1 6 6 ALA H H 1 8.152 0.01 . 1 . . . . 173 ALA H . 17679 1 17 . 1 1 6 6 ALA C C 13 177.482 0.1 . 1 . . . . 173 ALA C . 17679 1 18 . 1 1 6 6 ALA CA C 13 52.368 0.1 . 1 . . . . 173 ALA CA . 17679 1 19 . 1 1 6 6 ALA N N 15 125.145 0.2 . 1 . . . . 173 ALA N . 17679 1 20 . 1 1 7 7 LEU H H 1 7.983 0.01 . 1 . . . . 174 LEU H . 17679 1 21 . 1 1 7 7 LEU C C 13 177.337 0.1 . 1 . . . . 174 LEU C . 17679 1 22 . 1 1 7 7 LEU CA C 13 55.28 0.1 . 1 . . . . 174 LEU CA . 17679 1 23 . 1 1 7 7 LEU N N 15 120.83 0.2 . 1 . . . . 174 LEU N . 17679 1 24 . 1 1 8 8 HIS H H 1 8.047 0.01 . 1 . . . . 175 HIS H . 17679 1 25 . 1 1 8 8 HIS CA C 13 56.078 0.1 . 1 . . . . 175 HIS CA . 17679 1 26 . 1 1 8 8 HIS N N 15 119.523 0.2 . 1 . . . . 175 HIS N . 17679 1 27 . 1 1 9 9 GLN C C 13 175.447 0.1 . 1 . . . . 176 GLN C . 17679 1 28 . 1 1 9 9 GLN CA C 13 55.764 0.1 . 1 . . . . 176 GLN CA . 17679 1 29 . 1 1 10 10 ASN H H 1 8.429 0.01 . 1 . . . . 177 ASN H . 17679 1 30 . 1 1 10 10 ASN C C 13 175.193 0.1 . 1 . . . . 177 ASN C . 17679 1 31 . 1 1 10 10 ASN CA C 13 53.206 0.1 . 1 . . . . 177 ASN CA . 17679 1 32 . 1 1 10 10 ASN N N 15 119.812 0.2 . 1 . . . . 177 ASN N . 17679 1 33 . 1 1 11 11 ARG H H 1 8.175 0.01 . 1 . . . . 178 ARG H . 17679 1 34 . 1 1 11 11 ARG C C 13 176.065 0.1 . 1 . . . . 178 ARG C . 17679 1 35 . 1 1 11 11 ARG CA C 13 56.238 0.1 . 1 . . . . 178 ARG CA . 17679 1 36 . 1 1 11 11 ARG N N 15 121.48 0.2 . 1 . . . . 178 ARG N . 17679 1 37 . 1 1 12 12 GLU H H 1 8.45 0.01 . 1 . . . . 179 GLU H . 17679 1 38 . 1 1 12 12 GLU C C 13 176.144 0.1 . 1 . . . . 179 GLU C . 17679 1 39 . 1 1 12 12 GLU CA C 13 56.573 0.1 . 1 . . . . 179 GLU CA . 17679 1 40 . 1 1 12 12 GLU N N 15 121.16 0.2 . 1 . . . . 179 GLU N . 17679 1 41 . 1 1 13 13 MET H H 1 8.253 0.01 . 1 . . . . 180 MET H . 17679 1 42 . 1 1 13 13 MET C C 13 175.667 0.1 . 1 . . . . 180 MET C . 17679 1 43 . 1 1 13 13 MET CA C 13 55.178 0.1 . 1 . . . . 180 MET CA . 17679 1 44 . 1 1 13 13 MET N N 15 120.949 0.2 . 1 . . . . 180 MET N . 17679 1 45 . 1 1 14 14 ILE H H 1 8.137 0.01 . 1 . . . . 181 ILE H . 17679 1 46 . 1 1 14 14 ILE C C 13 175.274 0.1 . 1 . . . . 181 ILE C . 17679 1 47 . 1 1 14 14 ILE CA C 13 60.643 0.1 . 1 . . . . 181 ILE CA . 17679 1 48 . 1 1 14 14 ILE N N 15 122.308 0.2 . 1 . . . . 181 ILE N . 17679 1 49 . 1 1 15 15 ASP H H 1 8.473 0.01 . 1 . . . . 182 ASP H . 17679 1 50 . 1 1 15 15 ASP CA C 13 51.399 0.1 . 1 . . . . 182 ASP CA . 17679 1 51 . 1 1 15 15 ASP N N 15 127.191 0.2 . 1 . . . . 182 ASP N . 17679 1 52 . 1 1 16 16 PRO C C 13 177.963 0.1 . 1 . . . . 183 PRO C . 17679 1 53 . 1 1 16 16 PRO CA C 13 63.898 0.1 . 1 . . . . 183 PRO CA . 17679 1 54 . 1 1 17 17 ASP H H 1 8.521 0.01 . 1 . . . . 184 ASP H . 17679 1 55 . 1 1 17 17 ASP C C 13 171.801 0.1 . 1 . . . . 184 ASP C . 17679 1 56 . 1 1 17 17 ASP CA C 13 56.415 0.1 . 1 . . . . 184 ASP CA . 17679 1 57 . 1 1 17 17 ASP N N 15 116.888 0.2 . 1 . . . . 184 ASP N . 17679 1 58 . 1 1 18 18 LYS H H 1 8.161 0.01 . 1 . . . . 185 LYS H . 17679 1 59 . 1 1 18 18 LYS C C 13 176.743 0.1 . 1 . . . . 185 LYS C . 17679 1 60 . 1 1 18 18 LYS CA C 13 56.515 0.1 . 1 . . . . 185 LYS CA . 17679 1 61 . 1 1 18 18 LYS N N 15 116.781 0.2 . 1 . . . . 185 LYS N . 17679 1 62 . 1 1 19 19 PHE H H 1 8.062 0.01 . 1 . . . . 186 PHE H . 17679 1 63 . 1 1 19 19 PHE C C 13 172.919 0.1 . 1 . . . . 186 PHE C . 17679 1 64 . 1 1 19 19 PHE CA C 13 55.584 0.1 . 1 . . . . 186 PHE CA . 17679 1 65 . 1 1 19 19 PHE N N 15 121.773 0.2 . 1 . . . . 186 PHE N . 17679 1 66 . 1 1 20 20 CYS H H 1 8.286 0.01 . 1 . . . . 187 CYS H . 17679 1 67 . 1 1 20 20 CYS C C 13 176.217 0.1 . 1 . . . . 187 CYS C . 17679 1 68 . 1 1 20 20 CYS CA C 13 57.557 0.1 . 1 . . . . 187 CYS CA . 17679 1 69 . 1 1 20 20 CYS N N 15 127.315 0.2 . 1 . . . . 187 CYS N . 17679 1 70 . 1 1 21 21 SER H H 1 8.857 0.01 . 1 . . . . 188 SER H . 17679 1 71 . 1 1 21 21 SER C C 13 174.692 0.1 . 1 . . . . 188 SER C . 17679 1 72 . 1 1 21 21 SER CA C 13 60.236 0.1 . 1 . . . . 188 SER CA . 17679 1 73 . 1 1 21 21 SER N N 15 124.37 0.2 . 1 . . . . 188 SER N . 17679 1 74 . 1 1 22 22 LEU H H 1 8.311 0.01 . 1 . . . . 189 LEU H . 17679 1 75 . 1 1 22 22 LEU C C 13 178.767 0.1 . 1 . . . . 189 LEU C . 17679 1 76 . 1 1 22 22 LEU CA C 13 57.861 0.1 . 1 . . . . 189 LEU CA . 17679 1 77 . 1 1 22 22 LEU N N 15 125.089 0.2 . 1 . . . . 189 LEU N . 17679 1 78 . 1 1 23 23 CYS H H 1 8.736 0.01 . 1 . . . . 190 CYS H . 17679 1 79 . 1 1 23 23 CYS C C 13 175.413 0.1 . 1 . . . . 190 CYS C . 17679 1 80 . 1 1 23 23 CYS CA C 13 59.999 0.1 . 1 . . . . 190 CYS CA . 17679 1 81 . 1 1 23 23 CYS N N 15 119.372 0.2 . 1 . . . . 190 CYS N . 17679 1 82 . 1 1 24 24 HIS H H 1 7.945 0.01 . 1 . . . . 191 HIS H . 17679 1 83 . 1 1 24 24 HIS C C 13 173.14 0.1 . 1 . . . . 191 HIS C . 17679 1 84 . 1 1 24 24 HIS CA C 13 56.8 0.1 . 1 . . . . 191 HIS CA . 17679 1 85 . 1 1 24 24 HIS N N 15 118.646 0.2 . 1 . . . . 191 HIS N . 17679 1 86 . 1 1 25 25 ALA H H 1 6.736 0.01 . 1 . . . . 192 ALA H . 17679 1 87 . 1 1 25 25 ALA C C 13 174.498 0.1 . 1 . . . . 192 ALA C . 17679 1 88 . 1 1 25 25 ALA CA C 13 50.05 0.1 . 1 . . . . 192 ALA CA . 17679 1 89 . 1 1 25 25 ALA N N 15 121.455 0.2 . 1 . . . . 192 ALA N . 17679 1 90 . 1 1 26 26 THR H H 1 7.938 0.01 . 1 . . . . 193 THR H . 17679 1 91 . 1 1 26 26 THR C C 13 173.445 0.1 . 1 . . . . 193 THR C . 17679 1 92 . 1 1 26 26 THR CA C 13 60.875 0.1 . 1 . . . . 193 THR CA . 17679 1 93 . 1 1 26 26 THR N N 15 115.118 0.2 . 1 . . . . 193 THR N . 17679 1 94 . 1 1 27 27 PHE H H 1 8.017 0.01 . 1 . . . . 194 PHE H . 17679 1 95 . 1 1 27 27 PHE C C 13 175.746 0.1 . 1 . . . . 194 PHE C . 17679 1 96 . 1 1 27 27 PHE CA C 13 54.42 0.1 . 1 . . . . 194 PHE CA . 17679 1 97 . 1 1 27 27 PHE N N 15 123.091 0.2 . 1 . . . . 194 PHE N . 17679 1 98 . 1 1 28 28 ASN H H 1 8.717 0.01 . 1 . . . . 195 ASN H . 17679 1 99 . 1 1 28 28 ASN C C 13 173.916 0.1 . 1 . . . . 195 ASN C . 17679 1 100 . 1 1 28 28 ASN CA C 13 53 0.1 . 1 . . . . 195 ASN CA . 17679 1 101 . 1 1 28 28 ASN N N 15 120.709 0.2 . 1 . . . . 195 ASN N . 17679 1 102 . 1 1 29 29 ASP H H 1 7.51 0.01 . 1 . . . . 196 ASP H . 17679 1 103 . 1 1 29 29 ASP CA C 13 52.109 0.1 . 1 . . . . 196 ASP CA . 17679 1 104 . 1 1 29 29 ASP N N 15 116.387 0.2 . 1 . . . . 196 ASP N . 17679 1 105 . 1 1 30 30 PRO C C 13 178.683 0.1 . 1 . . . . 197 PRO C . 17679 1 106 . 1 1 30 30 PRO CA C 13 64.65 0.1 . 1 . . . . 197 PRO CA . 17679 1 107 . 1 1 31 31 VAL H H 1 8.377 0.01 . 1 . . . . 198 VAL H . 17679 1 108 . 1 1 31 31 VAL C C 13 178.545 0.1 . 1 . . . . 198 VAL C . 17679 1 109 . 1 1 31 31 VAL CA C 13 66.2 0.1 . 1 . . . . 198 VAL CA . 17679 1 110 . 1 1 31 31 VAL N N 15 121.694 0.2 . 1 . . . . 198 VAL N . 17679 1 111 . 1 1 32 32 MET H H 1 8.135 0.01 . 1 . . . . 199 MET H . 17679 1 112 . 1 1 32 32 MET C C 13 179.337 0.1 . 1 . . . . 199 MET C . 17679 1 113 . 1 1 32 32 MET CA C 13 58.006 0.1 . 1 . . . . 199 MET CA . 17679 1 114 . 1 1 32 32 MET N N 15 120.416 0.2 . 1 . . . . 199 MET N . 17679 1 115 . 1 1 33 33 ALA H H 1 7.301 0.01 . 1 . . . . 200 ALA H . 17679 1 116 . 1 1 33 33 ALA C C 13 177.464 0.1 . 1 . . . . 200 ALA C . 17679 1 117 . 1 1 33 33 ALA CA C 13 54.512 0.1 . 1 . . . . 200 ALA CA . 17679 1 118 . 1 1 33 33 ALA N N 15 122.74 0.2 . 1 . . . . 200 ALA N . 17679 1 119 . 1 1 34 34 GLN H H 1 7.869 0.01 . 1 . . . . 201 GLN H . 17679 1 120 . 1 1 34 34 GLN C C 13 178.85 0.1 . 1 . . . . 201 GLN C . 17679 1 121 . 1 1 34 34 GLN CA C 13 58.926 0.1 . 1 . . . . 201 GLN CA . 17679 1 122 . 1 1 34 34 GLN N N 15 117.044 0.2 . 1 . . . . 201 GLN N . 17679 1 123 . 1 1 35 35 GLN H H 1 7.894 0.01 . 1 . . . . 202 GLN H . 17679 1 124 . 1 1 35 35 GLN C C 13 178.517 0.1 . 1 . . . . 202 GLN C . 17679 1 125 . 1 1 35 35 GLN CA C 13 57.852 0.1 . 1 . . . . 202 GLN CA . 17679 1 126 . 1 1 35 35 GLN N N 15 115.436 0.2 . 1 . . . . 202 GLN N . 17679 1 127 . 1 1 36 36 HIS H H 1 7.639 0.01 . 1 . . . . 203 HIS H . 17679 1 128 . 1 1 36 36 HIS C C 13 178.545 0.1 . 1 . . . . 203 HIS C . 17679 1 129 . 1 1 36 36 HIS CA C 13 59.695 0.1 . 1 . . . . 203 HIS CA . 17679 1 130 . 1 1 36 36 HIS N N 15 119.011 0.2 . 1 . . . . 203 HIS N . 17679 1 131 . 1 1 37 37 TYR H H 1 7.808 0.01 . 1 . . . . 204 TYR H . 17679 1 132 . 1 1 37 37 TYR C C 13 176.522 0.1 . 1 . . . . 204 TYR C . 17679 1 133 . 1 1 37 37 TYR CA C 13 61.75 0.1 . 1 . . . . 204 TYR CA . 17679 1 134 . 1 1 37 37 TYR N N 15 116.809 0.2 . 1 . . . . 204 TYR N . 17679 1 135 . 1 1 38 38 VAL H H 1 7.161 0.01 . 1 . . . . 205 VAL H . 17679 1 136 . 1 1 38 38 VAL C C 13 176.466 0.1 . 1 . . . . 205 VAL C . 17679 1 137 . 1 1 38 38 VAL CA C 13 60.85 0.1 . 1 . . . . 205 VAL CA . 17679 1 138 . 1 1 38 38 VAL N N 15 132.813 0.2 . 1 . . . . 205 VAL N . 17679 1 139 . 1 1 39 39 GLY H H 1 7.582 0.01 . 1 . . . . 206 GLY H . 17679 1 140 . 1 1 39 39 GLY C C 13 173.639 0.1 . 1 . . . . 206 GLY C . 17679 1 141 . 1 1 39 39 GLY CA C 13 44.657 0.1 . 1 . . . . 206 GLY CA . 17679 1 142 . 1 1 39 39 GLY N N 15 110.731 0.2 . 1 . . . . 206 GLY N . 17679 1 143 . 1 1 40 40 LYS H H 1 8.315 0.01 . 1 . . . . 207 LYS H . 17679 1 144 . 1 1 40 40 LYS C C 13 178.905 0.1 . 1 . . . . 207 LYS C . 17679 1 145 . 1 1 40 40 LYS CA C 13 59.356 0.1 . 1 . . . . 207 LYS CA . 17679 1 146 . 1 1 40 40 LYS N N 15 118.55 0.2 . 1 . . . . 207 LYS N . 17679 1 147 . 1 1 41 41 LYS H H 1 8.284 0.01 . 1 . . . . 208 LYS H . 17679 1 148 . 1 1 41 41 LYS C C 13 179.099 0.1 . 1 . . . . 208 LYS C . 17679 1 149 . 1 1 41 41 LYS CA C 13 60.41 0.1 . 1 . . . . 208 LYS CA . 17679 1 150 . 1 1 41 41 LYS N N 15 120.481 0.2 . 1 . . . . 208 LYS N . 17679 1 151 . 1 1 42 42 HIS H H 1 8.763 0.01 . 1 . . . . 209 HIS H . 17679 1 152 . 1 1 42 42 HIS C C 13 177.076 0.1 . 1 . . . . 209 HIS C . 17679 1 153 . 1 1 42 42 HIS CA C 13 60.66 0.1 . 1 . . . . 209 HIS CA . 17679 1 154 . 1 1 42 42 HIS N N 15 120.137 0.2 . 1 . . . . 209 HIS N . 17679 1 155 . 1 1 43 43 ARG H H 1 7.808 0.01 . 1 . . . . 210 ARG H . 17679 1 156 . 1 1 43 43 ARG CA C 13 59.28 0.1 . 1 . . . . 210 ARG CA . 17679 1 157 . 1 1 43 43 ARG N N 15 116.8 0.2 . 1 . . . . 210 ARG N . 17679 1 158 . 1 1 44 44 LYS H H 1 8.204 0.01 . 1 . . . . 211 LYS H . 17679 1 159 . 1 1 44 44 LYS C C 13 179.016 0.1 . 1 . . . . 211 LYS C . 17679 1 160 . 1 1 44 44 LYS CA C 13 59.306 0.1 . 1 . . . . 211 LYS CA . 17679 1 161 . 1 1 44 44 LYS N N 15 120.309 0.2 . 1 . . . . 211 LYS N . 17679 1 162 . 1 1 45 45 GLN H H 1 7.699 0.01 . 1 . . . . 212 GLN H . 17679 1 163 . 1 1 45 45 GLN C C 13 178.101 0.1 . 1 . . . . 212 GLN C . 17679 1 164 . 1 1 45 45 GLN CA C 13 57.794 0.1 . 1 . . . . 212 GLN CA . 17679 1 165 . 1 1 45 45 GLN N N 15 120.268 0.2 . 1 . . . . 212 GLN N . 17679 1 166 . 1 1 46 46 GLU H H 1 7.699 0.01 . 1 . . . . 213 GLU H . 17679 1 167 . 1 1 46 46 GLU C C 13 178.85 0.1 . 1 . . . . 213 GLU C . 17679 1 168 . 1 1 46 46 GLU CA C 13 59.538 0.1 . 1 . . . . 213 GLU CA . 17679 1 169 . 1 1 46 46 GLU N N 15 120.272 0.2 . 1 . . . . 213 GLU N . 17679 1 170 . 1 1 47 47 THR H H 1 8.097 0.01 . 1 . . . . 214 THR H . 17679 1 171 . 1 1 47 47 THR C C 13 175.718 0.1 . 1 . . . . 214 THR C . 17679 1 172 . 1 1 47 47 THR CA C 13 66.108 0.1 . 1 . . . . 214 THR CA . 17679 1 173 . 1 1 47 47 THR N N 15 115.098 0.2 . 1 . . . . 214 THR N . 17679 1 174 . 1 1 48 48 LYS H H 1 7.909 0.01 . 1 . . . . 215 LYS H . 17679 1 175 . 1 1 48 48 LYS C C 13 179.127 0.1 . 1 . . . . 215 LYS C . 17679 1 176 . 1 1 48 48 LYS CA C 13 59.306 0.1 . 1 . . . . 215 LYS CA . 17679 1 177 . 1 1 48 48 LYS N N 15 122.191 0.2 . 1 . . . . 215 LYS N . 17679 1 178 . 1 1 49 49 LEU H H 1 8.029 0.01 . 1 . . . . 216 LEU H . 17679 1 179 . 1 1 49 49 LEU C C 13 178.323 0.1 . 1 . . . . 216 LEU C . 17679 1 180 . 1 1 49 49 LEU CA C 13 59.547 0.1 . 1 . . . . 216 LEU CA . 17679 1 181 . 1 1 49 49 LEU N N 15 120.053 0.2 . 1 . . . . 216 LEU N . 17679 1 182 . 1 1 50 50 LYS H H 1 7.876 0.01 . 1 . . . . 217 LYS H . 17679 1 183 . 1 1 50 50 LYS C C 13 179.127 0.1 . 1 . . . . 217 LYS C . 17679 1 184 . 1 1 50 50 LYS CA C 13 57.196 0.1 . 1 . . . . 217 LYS CA . 17679 1 185 . 1 1 50 50 LYS N N 15 119.27 0.2 . 1 . . . . 217 LYS N . 17679 1 186 . 1 1 51 51 LEU H H 1 8.005 0.01 . 1 . . . . 218 LEU H . 17679 1 187 . 1 1 51 51 LEU C C 13 178.489 0.1 . 1 . . . . 218 LEU C . 17679 1 188 . 1 1 51 51 LEU CA C 13 56.952 0.1 . 1 . . . . 218 LEU CA . 17679 1 189 . 1 1 51 51 LEU N N 15 120.442 0.2 . 1 . . . . 218 LEU N . 17679 1 190 . 1 1 52 52 MET H H 1 7.926 0.01 . 1 . . . . 219 MET H . 17679 1 191 . 1 1 52 52 MET C C 13 177.298 0.1 . 1 . . . . 219 MET C . 17679 1 192 . 1 1 52 52 MET CA C 13 56.641 0.1 . 1 . . . . 219 MET CA . 17679 1 193 . 1 1 52 52 MET N N 15 119.682 0.2 . 1 . . . . 219 MET N . 17679 1 194 . 1 1 53 53 ALA H H 1 8.018 0.01 . 1 . . . . 220 ALA H . 17679 1 195 . 1 1 53 53 ALA C C 13 178.24 0.1 . 1 . . . . 220 ALA C . 17679 1 196 . 1 1 53 53 ALA CA C 13 53.306 0.1 . 1 . . . . 220 ALA CA . 17679 1 197 . 1 1 53 53 ALA N N 15 123.113 0.2 . 1 . . . . 220 ALA N . 17679 1 198 . 1 1 54 54 ARG H H 1 8.583 0.01 . 1 . . . . 221 ARG H . 17679 1 199 . 1 1 54 54 ARG C C 13 178.6 0.1 . 1 . . . . 221 ARG C . 17679 1 200 . 1 1 54 54 ARG CA C 13 56.864 0.1 . 1 . . . . 221 ARG CA . 17679 1 201 . 1 1 54 54 ARG N N 15 120.029 0.2 . 1 . . . . 221 ARG N . 17679 1 202 . 1 1 55 55 TYR H H 1 8.094 0.01 . 1 . . . . 222 TYR H . 17679 1 203 . 1 1 55 55 TYR C C 13 176.438 0.1 . 1 . . . . 222 TYR C . 17679 1 204 . 1 1 55 55 TYR CA C 13 58.057 0.1 . 1 . . . . 222 TYR CA . 17679 1 205 . 1 1 55 55 TYR N N 15 118.899 0.2 . 1 . . . . 222 TYR N . 17679 1 206 . 1 1 56 56 GLY H H 1 8.246 0.01 . 1 . . . . 223 GLY H . 17679 1 207 . 1 1 56 56 GLY C C 13 173.889 0.1 . 1 . . . . 223 GLY C . 17679 1 208 . 1 1 56 56 GLY CA C 13 45.433 0.1 . 1 . . . . 223 GLY CA . 17679 1 209 . 1 1 56 56 GLY N N 15 110.094 0.2 . 1 . . . . 223 GLY N . 17679 1 210 . 1 1 57 57 ARG H H 1 8.137 0.01 . 1 . . . . 224 ARG H . 17679 1 211 . 1 1 57 57 ARG C C 13 173.935 0.1 . 1 . . . . 224 ARG C . 17679 1 212 . 1 1 57 57 ARG CA C 13 61.505 0.1 . 1 . . . . 224 ARG CA . 17679 1 213 . 1 1 57 57 ARG N N 15 120.975 0.2 . 1 . . . . 224 ARG N . 17679 1 214 . 1 1 58 58 LEU H H 1 8.363 0.01 . 1 . . . . 225 LEU H . 17679 1 215 . 1 1 58 58 LEU C C 13 176.683 0.1 . 1 . . . . 225 LEU C . 17679 1 216 . 1 1 58 58 LEU CA C 13 54.824 0.1 . 1 . . . . 225 LEU CA . 17679 1 217 . 1 1 58 58 LEU N N 15 123.604 0.2 . 1 . . . . 225 LEU N . 17679 1 218 . 1 1 59 59 ALA H H 1 8.182 0.01 . 1 . . . . 226 ALA H . 17679 1 219 . 1 1 59 59 ALA C C 13 176.79 0.1 . 1 . . . . 226 ALA C . 17679 1 220 . 1 1 59 59 ALA CA C 13 52.1 0.1 . 1 . . . . 226 ALA CA . 17679 1 221 . 1 1 59 59 ALA N N 15 124.798 0.2 . 1 . . . . 226 ALA N . 17679 1 222 . 1 1 60 60 ASP H H 1 7.895 0.01 . 1 . . . . 227 ASP H . 17679 1 223 . 1 1 60 60 ASP N N 15 125.54 0.2 . 1 . . . . 227 ASP N . 17679 1 stop_ save_