################################### # 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 51360 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Sam68 C-terminal domain' _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' . . . 51360 1 2 '3D CBCACONH' . . . 51360 1 3 '3D CBCANH' . . . 51360 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 1 $software_1 . . 51360 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 3 3 LEU H H 1 8.679 0.001 . 1 . . . . . -3 LEU H . 51360 1 2 . 1 . 1 3 3 LEU CA C 13 55.442 0.020 . 1 . . . . . -3 LEU CA . 51360 1 3 . 1 . 1 3 3 LEU CB C 13 42.340 0.033 . 1 . . . . . -3 LEU CB . 51360 1 4 . 1 . 1 3 3 LEU N N 15 122.711 0.018 . 1 . . . . . -3 LEU N . 51360 1 5 . 1 . 1 4 4 GLY H H 1 8.559 0.002 . 1 . . . . . -2 GLY H . 51360 1 6 . 1 . 1 4 4 GLY CA C 13 45.301 0.008 . 1 . . . . . -2 GLY CA . 51360 1 7 . 1 . 1 4 4 GLY N N 15 110.034 0.033 . 1 . . . . . -2 GLY N . 51360 1 8 . 1 . 1 5 5 SER H H 1 8.388 0.001 . 1 . . . . . -1 SER H . 51360 1 9 . 1 . 1 5 5 SER CA C 13 58.809 0.019 . 1 . . . . . -1 SER CA . 51360 1 10 . 1 . 1 5 5 SER CB C 13 63.697 0.066 . 1 . . . . . -1 SER CB . 51360 1 11 . 1 . 1 5 5 SER N N 15 115.987 0.028 . 1 . . . . . -1 SER N . 51360 1 12 . 1 . 1 6 6 GLN H H 1 8.645 0.001 . 1 . . . . . 267 GLN H . 51360 1 13 . 1 . 1 6 6 GLN CA C 13 56.311 0.007 . 1 . . . . . 267 GLN CA . 51360 1 14 . 1 . 1 6 6 GLN CB C 13 29.061 0.044 . 1 . . . . . 267 GLN CB . 51360 1 15 . 1 . 1 6 6 GLN N N 15 122.211 0.005 . 1 . . . . . 267 GLN N . 51360 1 16 . 1 . 1 7 7 PHE H H 1 8.209 0.001 . 1 . . . . . 268 PHE H . 51360 1 17 . 1 . 1 7 7 PHE CA C 13 57.972 0.005 . 1 . . . . . 268 PHE CA . 51360 1 18 . 1 . 1 7 7 PHE CB C 13 39.308 0.058 . 1 . . . . . 268 PHE CB . 51360 1 19 . 1 . 1 7 7 PHE N N 15 120.547 0.036 . 1 . . . . . 268 PHE N . 51360 1 20 . 1 . 1 8 8 LEU H H 1 8.103 0.001 . 1 . . . . . 269 LEU H . 51360 1 21 . 1 . 1 8 8 LEU CA C 13 55.232 0.001 . 1 . . . . . 269 LEU CA . 51360 1 22 . 1 . 1 8 8 LEU CB C 13 42.556 0.022 . 1 . . . . . 269 LEU CB . 51360 1 23 . 1 . 1 8 8 LEU N N 15 123.509 0.025 . 1 . . . . . 269 LEU N . 51360 1 24 . 1 . 1 9 9 GLU H H 1 8.398 0.001 . 1 . . . . . 270 GLU H . 51360 1 25 . 1 . 1 9 9 GLU CA C 13 56.715 0.016 . 1 . . . . . 270 GLU CA . 51360 1 26 . 1 . 1 9 9 GLU CB C 13 29.990 0.017 . 1 . . . . . 270 GLU CB . 51360 1 27 . 1 . 1 9 9 GLU N N 15 121.808 0.037 . 1 . . . . . 270 GLU N . 51360 1 28 . 1 . 1 10 10 LEU H H 1 8.324 0.002 . 1 . . . . . 271 LEU H . 51360 1 29 . 1 . 1 10 10 LEU CA C 13 55.419 0.013 . 1 . . . . . 271 LEU CA . 51360 1 30 . 1 . 1 10 10 LEU CB C 13 42.074 0.032 . 1 . . . . . 271 LEU CB . 51360 1 31 . 1 . 1 10 10 LEU N N 15 122.942 0.019 . 1 . . . . . 271 LEU N . 51360 1 32 . 1 . 1 11 11 SER H H 1 8.301 0.001 . 1 . . . . . 272 SER H . 51360 1 33 . 1 . 1 11 11 SER CA C 13 58.716 0.022 . 1 . . . . . 272 SER CA . 51360 1 34 . 1 . 1 11 11 SER CB C 13 63.668 0.015 . 1 . . . . . 272 SER CB . 51360 1 35 . 1 . 1 11 11 SER N N 15 116.181 0.022 . 1 . . . . . 272 SER N . 51360 1 36 . 1 . 1 12 12 TYR H H 1 8.196 0.001 . 1 . . . . . 273 TYR H . 51360 1 37 . 1 . 1 12 12 TYR CA C 13 57.963 0.047 . 1 . . . . . 273 TYR CA . 51360 1 38 . 1 . 1 12 12 TYR CB C 13 38.637 0.017 . 1 . . . . . 273 TYR CB . 51360 1 39 . 1 . 1 12 12 TYR N N 15 121.903 0.017 . 1 . . . . . 273 TYR N . 51360 1 40 . 1 . 1 13 13 LEU H H 1 8.177 0.002 . 1 . . . . . 274 LEU H . 51360 1 41 . 1 . 1 13 13 LEU CA C 13 55.423 0.007 . 1 . . . . . 274 LEU CA . 51360 1 42 . 1 . 1 13 13 LEU CB C 13 42.192 0.069 . 1 . . . . . 274 LEU CB . 51360 1 43 . 1 . 1 13 13 LEU N N 15 122.961 0.041 . 1 . . . . . 274 LEU N . 51360 1 44 . 1 . 1 14 14 ASN H H 1 8.507 0.002 . 1 . . . . . 275 ASN H . 51360 1 45 . 1 . 1 14 14 ASN CA C 13 53.482 0.025 . 1 . . . . . 275 ASN CA . 51360 1 46 . 1 . 1 14 14 ASN CB C 13 38.665 0.015 . 1 . . . . . 275 ASN CB . 51360 1 47 . 1 . 1 14 14 ASN N N 15 118.946 0.010 . 1 . . . . . 275 ASN N . 51360 1 48 . 1 . 1 15 15 GLY H H 1 8.292 0.001 . 1 . . . . . 276 GLY H . 51360 1 49 . 1 . 1 15 15 GLY CA C 13 45.218 0.003 . 1 . . . . . 276 GLY CA . 51360 1 50 . 1 . 1 15 15 GLY N N 15 108.173 0.017 . 1 . . . . . 276 GLY N . 51360 1 51 . 1 . 1 16 16 VAL H H 1 8.008 0.001 . 1 . . . . . 277 VAL H . 51360 1 52 . 1 . 1 16 16 VAL CA C 13 59.763 0.000 . 1 . . . . . 277 VAL CA . 51360 1 53 . 1 . 1 16 16 VAL CB C 13 32.736 0.000 . 1 . . . . . 277 VAL CB . 51360 1 54 . 1 . 1 16 16 VAL N N 15 121.201 0.009 . 1 . . . . . 277 VAL N . 51360 1 55 . 1 . 1 20 20 SER H H 1 8.576 0.003 . 1 . . . . . 281 SER H . 51360 1 56 . 1 . 1 20 20 SER CA C 13 58.680 0.010 . 1 . . . . . 281 SER CA . 51360 1 57 . 1 . 1 20 20 SER CB C 13 63.666 0.016 . 1 . . . . . 281 SER CB . 51360 1 58 . 1 . 1 20 20 SER N N 15 116.223 0.023 . 1 . . . . . 281 SER N . 51360 1 59 . 1 . 1 21 21 ARG H H 1 8.516 0.005 . 1 . . . . . 282 ARG H . 51360 1 60 . 1 . 1 21 21 ARG CA C 13 56.257 0.022 . 1 . . . . . 282 ARG CA . 51360 1 61 . 1 . 1 21 21 ARG CB C 13 30.727 0.011 . 1 . . . . . 282 ARG CB . 51360 1 62 . 1 . 1 21 21 ARG N N 15 123.191 0.019 . 1 . . . . . 282 ARG N . 51360 1 63 . 1 . 1 22 22 GLY H H 1 8.526 0.004 . 1 . . . . . 283 GLY H . 51360 1 64 . 1 . 1 22 22 GLY CA C 13 45.285 0.014 . 1 . . . . . 283 GLY CA . 51360 1 65 . 1 . 1 22 22 GLY N N 15 109.912 0.037 . 1 . . . . . 283 GLY N . 51360 1 66 . 1 . 1 23 23 ARG H H 1 8.414 0.002 . 1 . . . . . 284 ARG H . 51360 1 67 . 1 . 1 23 23 ARG CA C 13 56.218 0.000 . 1 . . . . . 284 ARG CA . 51360 1 68 . 1 . 1 23 23 ARG CB C 13 30.755 0.000 . 1 . . . . . 284 ARG CB . 51360 1 69 . 1 . 1 23 23 ARG N N 15 120.669 0.018 . 1 . . . . . 284 ARG N . 51360 1 70 . 1 . 1 27 27 VAL H H 1 8.452 0.002 . 1 . . . . . 288 VAL H . 51360 1 71 . 1 . 1 27 27 VAL CA C 13 62.522 0.000 . 1 . . . . . 288 VAL CA . 51360 1 72 . 1 . 1 27 27 VAL CB C 13 32.639 0.000 . 1 . . . . . 288 VAL CB . 51360 1 73 . 1 . 1 27 27 VAL N N 15 121.657 0.013 . 1 . . . . . 288 VAL N . 51360 1 74 . 1 . 1 32 32 ALA H H 1 8.240 0.001 . 1 . . . . . 293 ALA H . 51360 1 75 . 1 . 1 32 32 ALA CA C 13 52.055 0.031 . 1 . . . . . 293 ALA CA . 51360 1 76 . 1 . 1 32 32 ALA CB C 13 19.452 0.000 . 1 . . . . . 293 ALA CB . 51360 1 77 . 1 . 1 32 32 ALA N N 15 123.912 0.022 . 1 . . . . . 293 ALA N . 51360 1 78 . 1 . 1 33 33 ALA H H 1 8.451 0.001 . 1 . . . . . 294 ALA H . 51360 1 79 . 1 . 1 33 33 ALA CA C 13 50.444 0.000 . 1 . . . . . 294 ALA CA . 51360 1 80 . 1 . 1 33 33 ALA CB C 13 17.992 0.000 . 1 . . . . . 294 ALA CB . 51360 1 81 . 1 . 1 33 33 ALA N N 15 125.440 0.009 . 1 . . . . . 294 ALA N . 51360 1 82 . 1 . 1 39 39 VAL H H 1 8.369 0.001 . 1 . . . . . 300 VAL H . 51360 1 83 . 1 . 1 39 39 VAL CA C 13 59.918 0.000 . 1 . . . . . 300 VAL CA . 51360 1 84 . 1 . 1 39 39 VAL CB C 13 32.488 0.000 . 1 . . . . . 300 VAL CB . 51360 1 85 . 1 . 1 39 39 VAL N N 15 122.379 0.083 . 1 . . . . . 300 VAL N . 51360 1 86 . 1 . 1 45 45 VAL H H 1 8.137 0.001 . 1 . . . . . 306 VAL H . 51360 1 87 . 1 . 1 45 45 VAL CA C 13 62.070 0.012 . 1 . . . . . 306 VAL CA . 51360 1 88 . 1 . 1 45 45 VAL CB C 13 32.795 0.002 . 1 . . . . . 306 VAL CB . 51360 1 89 . 1 . 1 45 45 VAL N N 15 118.829 0.017 . 1 . . . . . 306 VAL N . 51360 1 90 . 1 . 1 46 46 GLY H H 1 8.498 0.003 . 1 . . . . . 307 GLY H . 51360 1 91 . 1 . 1 46 46 GLY CA C 13 44.384 0.000 . 1 . . . . . 307 GLY CA . 51360 1 92 . 1 . 1 46 46 GLY N N 15 112.954 0.014 . 1 . . . . . 307 GLY N . 51360 1 93 . 1 . 1 52 52 LEU H H 1 8.363 0.003 . 1 . . . . . 313 LEU H . 51360 1 94 . 1 . 1 52 52 LEU CA C 13 55.119 0.023 . 1 . . . . . 313 LEU CA . 51360 1 95 . 1 . 1 52 52 LEU CB C 13 42.306 0.046 . 1 . . . . . 313 LEU CB . 51360 1 96 . 1 . 1 52 52 LEU N N 15 121.524 0.067 . 1 . . . . . 313 LEU N . 51360 1 97 . 1 . 1 53 53 VAL H H 1 8.271 0.013 . 1 . . . . . 314 VAL H . 51360 1 98 . 1 . 1 53 53 VAL CA C 13 62.260 0.008 . 1 . . . . . 314 VAL CA . 51360 1 99 . 1 . 1 53 53 VAL CB C 13 32.739 0.035 . 1 . . . . . 314 VAL CB . 51360 1 100 . 1 . 1 53 53 VAL N N 15 122.638 0.030 . 1 . . . . . 314 VAL N . 51360 1 101 . 1 . 1 54 54 ARG H H 1 8.680 0.003 . 1 . . . . . 315 ARG H . 51360 1 102 . 1 . 1 54 54 ARG CA C 13 56.343 0.000 . 1 . . . . . 315 ARG CA . 51360 1 103 . 1 . 1 54 54 ARG CB C 13 30.751 0.000 . 1 . . . . . 315 ARG CB . 51360 1 104 . 1 . 1 54 54 ARG N N 15 126.390 0.025 . 1 . . . . . 315 ARG N . 51360 1 105 . 1 . 1 56 56 THR H H 1 8.361 0.291 . 1 . . . . . 317 THR H . 51360 1 106 . 1 . 1 56 56 THR CA C 13 60.020 0.000 . 1 . . . . . 317 THR CA . 51360 1 107 . 1 . 1 56 56 THR CB C 13 69.790 0.000 . 1 . . . . . 317 THR CB . 51360 1 108 . 1 . 1 56 56 THR N N 15 117.757 1.400 . 1 . . . . . 317 THR N . 51360 1 109 . 1 . 1 58 58 VAL H H 1 8.465 0.012 . 1 . . . . . 319 VAL H . 51360 1 110 . 1 . 1 58 58 VAL CA C 13 62.509 0.000 . 1 . . . . . 319 VAL CA . 51360 1 111 . 1 . 1 58 58 VAL CB C 13 32.489 0.000 . 1 . . . . . 319 VAL CB . 51360 1 112 . 1 . 1 58 58 VAL N N 15 121.863 0.064 . 1 . . . . . 319 VAL N . 51360 1 113 . 1 . 1 62 62 ILE H H 1 8.388 0.006 . 1 . . . . . 323 ILE H . 51360 1 114 . 1 . 1 62 62 ILE CA C 13 61.081 0.001 . 1 . . . . . 323 ILE CA . 51360 1 115 . 1 . 1 62 62 ILE CB C 13 38.662 0.034 . 1 . . . . . 323 ILE CB . 51360 1 116 . 1 . 1 62 62 ILE N N 15 120.917 0.036 . 1 . . . . . 323 ILE N . 51360 1 117 . 1 . 1 63 63 THR H H 1 8.402 0.005 . 1 . . . . . 324 THR H . 51360 1 118 . 1 . 1 63 63 THR CA C 13 61.770 0.000 . 1 . . . . . 324 THR CA . 51360 1 119 . 1 . 1 63 63 THR CB C 13 69.818 0.000 . 1 . . . . . 324 THR CB . 51360 1 120 . 1 . 1 63 63 THR N N 15 119.793 0.051 . 1 . . . . . 324 THR N . 51360 1 121 . 1 . 1 67 67 THR H H 1 8.392 0.002 . 1 . . . . . 328 THR H . 51360 1 122 . 1 . 1 67 67 THR CA C 13 62.128 0.010 . 1 . . . . . 328 THR CA . 51360 1 123 . 1 . 1 67 67 THR CB C 13 69.812 0.036 . 1 . . . . . 328 THR CB . 51360 1 124 . 1 . 1 67 67 THR N N 15 115.028 0.020 . 1 . . . . . 328 THR N . 51360 1 125 . 1 . 1 68 68 VAL H H 1 8.404 0.001 . 1 . . . . . 329 VAL H . 51360 1 126 . 1 . 1 68 68 VAL CA C 13 62.175 0.075 . 1 . . . . . 329 VAL CA . 51360 1 127 . 1 . 1 68 68 VAL CB C 13 32.836 0.070 . 1 . . . . . 329 VAL CB . 51360 1 128 . 1 . 1 68 68 VAL N N 15 124.069 0.020 . 1 . . . . . 329 VAL N . 51360 1 129 . 1 . 1 69 69 THR H H 1 8.472 0.002 . 1 . . . . . 330 THR H . 51360 1 130 . 1 . 1 69 69 THR CA C 13 61.851 0.065 . 1 . . . . . 330 THR CA . 51360 1 131 . 1 . 1 69 69 THR CB C 13 69.750 0.004 . 1 . . . . . 330 THR CB . 51360 1 132 . 1 . 1 69 69 THR N N 15 119.956 0.042 . 1 . . . . . 330 THR N . 51360 1 133 . 1 . 1 70 70 ARG H H 1 8.590 0.004 . 1 . . . . . 331 ARG H . 51360 1 134 . 1 . 1 70 70 ARG CA C 13 56.226 0.000 . 1 . . . . . 331 ARG CA . 51360 1 135 . 1 . 1 70 70 ARG CB C 13 30.882 0.000 . 1 . . . . . 331 ARG CB . 51360 1 136 . 1 . 1 70 70 ARG N N 15 124.669 0.020 . 1 . . . . . 331 ARG N . 51360 1 137 . 1 . 1 77 77 THR H H 1 8.411 0.002 . 1 . . . . . 338 THR H . 51360 1 138 . 1 . 1 77 77 THR CA C 13 62.078 0.000 . 1 . . . . . 338 THR CA . 51360 1 139 . 1 . 1 77 77 THR CB C 13 69.937 0.000 . 1 . . . . . 338 THR CB . 51360 1 140 . 1 . 1 77 77 THR N N 15 115.838 0.009 . 1 . . . . . 338 THR N . 51360 1 141 . 1 . 1 81 81 ALA H H 1 8.245 0.001 . 1 . . . . . 342 ALA H . 51360 1 142 . 1 . 1 81 81 ALA CA C 13 50.459 0.000 . 1 . . . . . 342 ALA CA . 51360 1 143 . 1 . 1 81 81 ALA CB C 13 18.218 0.000 . 1 . . . . . 342 ALA CB . 51360 1 144 . 1 . 1 81 81 ALA N N 15 125.108 0.009 . 1 . . . . . 342 ALA N . 51360 1 145 . 1 . 1 85 85 ARG H H 1 8.569 0.002 . 1 . . . . . 346 ARG H . 51360 1 146 . 1 . 1 85 85 ARG CA C 13 55.929 0.014 . 1 . . . . . 346 ARG CA . 51360 1 147 . 1 . 1 85 85 ARG CB C 13 30.882 0.010 . 1 . . . . . 346 ARG CB . 51360 1 148 . 1 . 1 85 85 ARG N N 15 122.026 0.021 . 1 . . . . . 346 ARG N . 51360 1 149 . 1 . 1 86 86 ALA H H 1 8.540 0.002 . 1 . . . . . 347 ALA H . 51360 1 150 . 1 . 1 86 86 ALA CA C 13 52.427 0.002 . 1 . . . . . 347 ALA CA . 51360 1 151 . 1 . 1 86 86 ALA CB C 13 19.298 0.039 . 1 . . . . . 347 ALA CB . 51360 1 152 . 1 . 1 86 86 ALA N N 15 126.157 0.017 . 1 . . . . . 347 ALA N . 51360 1 153 . 1 . 1 87 87 ARG H H 1 8.603 0.002 . 1 . . . . . 348 ARG H . 51360 1 154 . 1 . 1 87 87 ARG CA C 13 56.189 0.027 . 1 . . . . . 348 ARG CA . 51360 1 155 . 1 . 1 87 87 ARG CB C 13 30.868 0.005 . 1 . . . . . 348 ARG CB . 51360 1 156 . 1 . 1 87 87 ARG N N 15 121.368 0.032 . 1 . . . . . 348 ARG N . 51360 1 157 . 1 . 1 88 88 THR H H 1 8.322 0.001 . 1 . . . . . 349 THR H . 51360 1 158 . 1 . 1 88 88 THR CA C 13 61.716 0.004 . 1 . . . . . 349 THR CA . 51360 1 159 . 1 . 1 88 88 THR CB C 13 69.836 0.012 . 1 . . . . . 349 THR CB . 51360 1 160 . 1 . 1 88 88 THR N N 15 115.859 0.018 . 1 . . . . . 349 THR N . 51360 1 161 . 1 . 1 89 89 ALA H H 1 8.493 0.002 . 1 . . . . . 350 ALA H . 51360 1 162 . 1 . 1 89 89 ALA CA C 13 52.629 0.024 . 1 . . . . . 350 ALA CA . 51360 1 163 . 1 . 1 89 89 ALA CB C 13 19.427 0.005 . 1 . . . . . 350 ALA CB . 51360 1 164 . 1 . 1 89 89 ALA N N 15 126.849 0.020 . 1 . . . . . 350 ALA N . 51360 1 165 . 1 . 1 90 90 GLY H H 1 8.487 0.004 . 1 . . . . . 351 GLY H . 51360 1 166 . 1 . 1 90 90 GLY CA C 13 45.086 0.008 . 1 . . . . . 351 GLY CA . 51360 1 167 . 1 . 1 90 90 GLY N N 15 108.627 0.012 . 1 . . . . . 351 GLY N . 51360 1 168 . 1 . 1 91 91 ILE H H 1 8.153 0.001 . 1 . . . . . 352 ILE H . 51360 1 169 . 1 . 1 91 91 ILE CA C 13 61.085 0.030 . 1 . . . . . 352 ILE CA . 51360 1 170 . 1 . 1 91 91 ILE CB C 13 38.735 0.027 . 1 . . . . . 352 ILE CB . 51360 1 171 . 1 . 1 91 91 ILE N N 15 120.485 0.016 . 1 . . . . . 352 ILE N . 51360 1 172 . 1 . 1 92 92 GLN H H 1 8.639 0.002 . 1 . . . . . 353 GLN H . 51360 1 173 . 1 . 1 92 92 GLN CA C 13 55.473 0.029 . 1 . . . . . 353 GLN CA . 51360 1 174 . 1 . 1 92 92 GLN CB C 13 29.475 0.015 . 1 . . . . . 353 GLN CB . 51360 1 175 . 1 . 1 92 92 GLN N N 15 125.410 0.031 . 1 . . . . . 353 GLN N . 51360 1 176 . 1 . 1 93 93 ARG H H 1 8.580 0.002 . 1 . . . . . 354 ARG H . 51360 1 177 . 1 . 1 93 93 ARG CA C 13 55.989 0.028 . 1 . . . . . 354 ARG CA . 51360 1 178 . 1 . 1 93 93 ARG CB C 13 30.843 0.057 . 1 . . . . . 354 ARG CB . 51360 1 179 . 1 . 1 93 93 ARG N N 15 123.938 0.017 . 1 . . . . . 354 ARG N . 51360 1 180 . 1 . 1 94 94 ILE H H 1 8.403 0.002 . 1 . . . . . 355 ILE H . 51360 1 181 . 1 . 1 94 94 ILE CA C 13 58.596 0.000 . 1 . . . . . 355 ILE CA . 51360 1 182 . 1 . 1 94 94 ILE CB C 13 38.578 0.000 . 1 . . . . . 355 ILE CB . 51360 1 183 . 1 . 1 94 94 ILE N N 15 124.626 0.026 . 1 . . . . . 355 ILE N . 51360 1 184 . 1 . 1 96 96 LEU H H 1 8.434 0.002 . 1 . . . . . 357 LEU H . 51360 1 185 . 1 . 1 96 96 LEU CA C 13 52.966 0.000 . 1 . . . . . 357 LEU CA . 51360 1 186 . 1 . 1 96 96 LEU CB C 13 41.610 0.000 . 1 . . . . . 357 LEU CB . 51360 1 187 . 1 . 1 96 96 LEU N N 15 124.223 0.018 . 1 . . . . . 357 LEU N . 51360 1 188 . 1 . 1 103 103 GLU H H 1 8.715 0.001 . 1 . . . . . 364 GLU H . 51360 1 189 . 1 . 1 103 103 GLU CA C 13 56.695 0.018 . 1 . . . . . 364 GLU CA . 51360 1 190 . 1 . 1 103 103 GLU CB C 13 30.085 0.002 . 1 . . . . . 364 GLU CB . 51360 1 191 . 1 . 1 103 103 GLU N N 15 121.151 0.006 . 1 . . . . . 364 GLU N . 51360 1 192 . 1 . 1 104 104 THR H H 1 8.213 0.001 . 1 . . . . . 365 THR H . 51360 1 193 . 1 . 1 104 104 THR CA C 13 61.523 0.004 . 1 . . . . . 365 THR CA . 51360 1 194 . 1 . 1 104 104 THR CB C 13 70.087 0.044 . 1 . . . . . 365 THR CB . 51360 1 195 . 1 . 1 104 104 THR N N 15 114.936 0.012 . 1 . . . . . 365 THR N . 51360 1 196 . 1 . 1 105 105 TYR H H 1 8.357 0.001 . 1 . . . . . 366 TYR H . 51360 1 197 . 1 . 1 105 105 TYR CA C 13 57.678 0.012 . 1 . . . . . 366 TYR CA . 51360 1 198 . 1 . 1 105 105 TYR CB C 13 39.013 0.011 . 1 . . . . . 366 TYR CB . 51360 1 199 . 1 . 1 105 105 TYR N N 15 122.726 0.021 . 1 . . . . . 366 TYR N . 51360 1 200 . 1 . 1 106 106 GLU H H 1 8.342 0.001 . 1 . . . . . 367 GLU H . 51360 1 201 . 1 . 1 106 106 GLU CA C 13 56.045 0.008 . 1 . . . . . 367 GLU CA . 51360 1 202 . 1 . 1 106 106 GLU CB C 13 30.807 0.019 . 1 . . . . . 367 GLU CB . 51360 1 203 . 1 . 1 106 106 GLU N N 15 123.833 0.023 . 1 . . . . . 367 GLU N . 51360 1 204 . 1 . 1 107 107 GLU H H 1 8.139 0.001 . 1 . . . . . 368 GLU H . 51360 1 205 . 1 . 1 107 107 GLU CA C 13 58.083 0.000 . 1 . . . . . 368 GLU CA . 51360 1 206 . 1 . 1 107 107 GLU CB C 13 31.027 0.000 . 1 . . . . . 368 GLU CB . 51360 1 207 . 1 . 1 107 107 GLU N N 15 127.677 0.008 . 1 . . . . . 368 GLU N . 51360 1 stop_ save_