################################### # 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 27630 _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 . _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' . . . 27630 1 2 '3D HNCA' . . . 27630 1 3 '3D HNCO' . . . 27630 1 4 '3D HNCACB' . . . 27630 1 5 '3D HN(CO)CA' . . . 27630 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 $CcpNMR_Analysis . . 27630 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.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 ALA C C 13 177.959 0.000 . 1 . . . . . 324 ALA C . 27630 1 2 . 1 1 2 2 ALA CA C 13 52.438 0.025 . 1 . . . . . 324 ALA CA . 27630 1 3 . 1 1 2 2 ALA CB C 13 18.668 0.000 . 1 . . . . . 324 ALA CB . 27630 1 4 . 1 1 3 3 MET H H 1 8.514 0.003 . 1 . . . . . 325 MET H . 27630 1 5 . 1 1 3 3 MET C C 13 176.446 0.000 . 1 . . . . . 325 MET C . 27630 1 6 . 1 1 3 3 MET CA C 13 55.239 0.041 . 1 . . . . . 325 MET CA . 27630 1 7 . 1 1 3 3 MET CB C 13 31.866 0.045 . 1 . . . . . 325 MET CB . 27630 1 8 . 1 1 3 3 MET N N 15 119.147 0.016 . 1 . . . . . 325 MET N . 27630 1 9 . 1 1 4 4 GLU H H 1 8.394 0.002 . 1 . . . . . 326 GLU H . 27630 1 10 . 1 1 4 4 GLU C C 13 176.444 0.000 . 1 . . . . . 326 GLU C . 27630 1 11 . 1 1 4 4 GLU CA C 13 56.258 0.023 . 1 . . . . . 326 GLU CA . 27630 1 12 . 1 1 4 4 GLU CB C 13 29.421 0.012 . 1 . . . . . 326 GLU CB . 27630 1 13 . 1 1 4 4 GLU N N 15 121.911 0.060 . 1 . . . . . 326 GLU N . 27630 1 14 . 1 1 5 5 ALA H H 1 8.349 0.001 . 1 . . . . . 327 ALA H . 27630 1 15 . 1 1 5 5 ALA C C 13 177.640 0.000 . 1 . . . . . 327 ALA C . 27630 1 16 . 1 1 5 5 ALA CA C 13 52.228 0.032 . 1 . . . . . 327 ALA CA . 27630 1 17 . 1 1 5 5 ALA CB C 13 18.648 0.000 . 1 . . . . . 327 ALA CB . 27630 1 18 . 1 1 5 5 ALA N N 15 124.639 0.017 . 1 . . . . . 327 ALA N . 27630 1 19 . 1 1 6 6 ASP H H 1 8.296 0.001 . 1 . . . . . 328 ASP H . 27630 1 20 . 1 1 6 6 ASP C C 13 177.064 0.000 . 1 . . . . . 328 ASP C . 27630 1 21 . 1 1 6 6 ASP CA C 13 54.102 0.031 . 1 . . . . . 328 ASP CA . 27630 1 22 . 1 1 6 6 ASP CB C 13 40.577 0.010 . 1 . . . . . 328 ASP CB . 27630 1 23 . 1 1 6 6 ASP N N 15 119.414 0.029 . 1 . . . . . 328 ASP N . 27630 1 24 . 1 1 7 7 GLY H H 1 8.355 0.002 . 1 . . . . . 329 GLY H . 27630 1 25 . 1 1 7 7 GLY C C 13 175.165 0.000 . 1 . . . . . 329 GLY C . 27630 1 26 . 1 1 7 7 GLY CA C 13 45.241 0.014 . 1 . . . . . 329 GLY CA . 27630 1 27 . 1 1 7 7 GLY N N 15 109.592 0.018 . 1 . . . . . 329 GLY N . 27630 1 28 . 1 1 8 8 GLY H H 1 8.361 0.002 . 1 . . . . . 330 GLY H . 27630 1 29 . 1 1 8 8 GLY C C 13 174.767 0.000 . 1 . . . . . 330 GLY C . 27630 1 30 . 1 1 8 8 GLY CA C 13 45.067 0.068 . 1 . . . . . 330 GLY CA . 27630 1 31 . 1 1 8 8 GLY N N 15 108.984 0.079 . 1 . . . . . 330 GLY N . 27630 1 32 . 1 1 9 9 GLY H H 1 8.259 0.005 . 1 . . . . . 331 GLY H . 27630 1 33 . 1 1 9 9 GLY C C 13 173.897 0.000 . 1 . . . . . 331 GLY C . 27630 1 34 . 1 1 9 9 GLY CA C 13 44.555 0.054 . 1 . . . . . 331 GLY CA . 27630 1 35 . 1 1 9 9 GLY N N 15 108.692 0.033 . 1 . . . . . 331 GLY N . 27630 1 36 . 1 1 10 10 GLU H H 1 8.253 0.001 . 1 . . . . . 332 GLU H . 27630 1 37 . 1 1 10 10 GLU CA C 13 54.007 0.014 . 1 . . . . . 332 GLU CA . 27630 1 38 . 1 1 10 10 GLU CB C 13 28.818 0.000 . 1 . . . . . 332 GLU CB . 27630 1 39 . 1 1 10 10 GLU N N 15 121.789 0.017 . 1 . . . . . 332 GLU N . 27630 1 40 . 1 1 11 11 PRO C C 13 176.840 0.000 . 1 . . . . . 333 PRO C . 27630 1 41 . 1 1 11 11 PRO CA C 13 62.613 0.068 . 1 . . . . . 333 PRO CA . 27630 1 42 . 1 1 12 12 LYS H H 1 8.388 0.004 . 1 . . . . . 334 LYS H . 27630 1 43 . 1 1 12 12 LYS C C 13 176.531 0.000 . 1 . . . . . 334 LYS C . 27630 1 44 . 1 1 12 12 LYS CA C 13 55.605 0.045 . 1 . . . . . 334 LYS CA . 27630 1 45 . 1 1 12 12 LYS N N 15 122.020 0.012 . 1 . . . . . 334 LYS N . 27630 1 46 . 1 1 13 13 VAL H H 1 8.221 0.001 . 1 . . . . . 335 VAL H . 27630 1 47 . 1 1 13 13 VAL C C 13 174.979 0.000 . 1 . . . . . 335 VAL C . 27630 1 48 . 1 1 13 13 VAL CA C 13 61.618 0.036 . 1 . . . . . 335 VAL CA . 27630 1 49 . 1 1 13 13 VAL CB C 13 31.917 0.000 . 1 . . . . . 335 VAL CB . 27630 1 50 . 1 1 13 13 VAL N N 15 123.048 0.026 . 1 . . . . . 335 VAL N . 27630 1 51 . 1 1 14 14 VAL H H 1 8.036 0.002 . 1 . . . . . 336 VAL H . 27630 1 52 . 1 1 14 14 VAL C C 13 175.494 0.000 . 1 . . . . . 336 VAL C . 27630 1 53 . 1 1 14 14 VAL CA C 13 61.203 0.044 . 1 . . . . . 336 VAL CA . 27630 1 54 . 1 1 14 14 VAL CB C 13 32.303 0.046 . 1 . . . . . 336 VAL CB . 27630 1 55 . 1 1 14 14 VAL N N 15 124.630 0.043 . 1 . . . . . 336 VAL N . 27630 1 56 . 1 1 15 15 PHE H H 1 8.555 0.002 . 1 . . . . . 337 PHE H . 27630 1 57 . 1 1 15 15 PHE C C 13 175.555 0.000 . 1 . . . . . 337 PHE C . 27630 1 58 . 1 1 15 15 PHE CA C 13 56.877 0.025 . 1 . . . . . 337 PHE CA . 27630 1 59 . 1 1 15 15 PHE CB C 13 38.553 0.000 . 1 . . . . . 337 PHE CB . 27630 1 60 . 1 1 15 15 PHE N N 15 124.251 0.035 . 1 . . . . . 337 PHE N . 27630 1 61 . 1 1 16 16 LYS H H 1 8.616 0.003 . 1 . . . . . 338 LYS H . 27630 1 62 . 1 1 16 16 LYS C C 13 175.125 0.000 . 1 . . . . . 338 LYS C . 27630 1 63 . 1 1 16 16 LYS CA C 13 55.421 0.027 . 1 . . . . . 338 LYS CA . 27630 1 64 . 1 1 16 16 LYS N N 15 123.635 0.056 . 1 . . . . . 338 LYS N . 27630 1 65 . 1 1 17 17 GLU H H 1 8.435 0.001 . 1 . . . . . 339 GLU H . 27630 1 66 . 1 1 17 17 GLU CA C 13 55.385 0.024 . 1 . . . . . 339 GLU CA . 27630 1 67 . 1 1 17 17 GLU N N 15 122.167 0.054 . 1 . . . . . 339 GLU N . 27630 1 68 . 1 1 18 18 LYS H H 1 9.021 0.004 . 1 . . . . . 340 LYS H . 27630 1 69 . 1 1 18 18 LYS C C 13 175.680 0.000 . 1 . . . . . 340 LYS C . 27630 1 70 . 1 1 18 18 LYS CA C 13 56.321 0.036 . 1 . . . . . 340 LYS CA . 27630 1 71 . 1 1 18 18 LYS N N 15 125.388 0.043 . 1 . . . . . 340 LYS N . 27630 1 72 . 1 1 19 19 THR H H 1 8.125 0.003 . 1 . . . . . 341 THR H . 27630 1 73 . 1 1 19 19 THR C C 13 173.610 0.000 . 1 . . . . . 341 THR C . 27630 1 74 . 1 1 19 19 THR CA C 13 59.739 0.056 . 1 . . . . . 341 THR CA . 27630 1 75 . 1 1 19 19 THR CB C 13 70.564 0.079 . 1 . . . . . 341 THR CB . 27630 1 76 . 1 1 19 19 THR N N 15 113.594 0.077 . 1 . . . . . 341 THR N . 27630 1 77 . 1 1 20 20 VAL H H 1 8.764 0.008 . 1 . . . . . 342 VAL H . 27630 1 78 . 1 1 20 20 VAL C C 13 176.106 0.000 . 1 . . . . . 342 VAL C . 27630 1 79 . 1 1 20 20 VAL CA C 13 62.143 0.030 . 1 . . . . . 342 VAL CA . 27630 1 80 . 1 1 20 20 VAL N N 15 123.220 0.069 . 1 . . . . . 342 VAL N . 27630 1 81 . 1 1 21 21 THR H H 1 8.510 0.004 . 1 . . . . . 343 THR H . 27630 1 82 . 1 1 21 21 THR CA C 13 60.696 0.079 . 1 . . . . . 343 THR CA . 27630 1 83 . 1 1 21 21 THR N N 15 118.218 0.059 . 1 . . . . . 343 THR N . 27630 1 84 . 1 1 22 22 SER H H 1 7.774 0.013 . 1 . . . . . 344 SER H . 27630 1 85 . 1 1 22 22 SER C C 13 174.519 0.000 . 1 . . . . . 344 SER C . 27630 1 86 . 1 1 22 22 SER CA C 13 57.270 0.030 . 1 . . . . . 344 SER CA . 27630 1 87 . 1 1 22 22 SER N N 15 114.078 0.027 . 1 . . . . . 344 SER N . 27630 1 88 . 1 1 23 23 LEU H H 1 8.783 0.001 . 1 . . . . . 345 LEU H . 27630 1 89 . 1 1 23 23 LEU C C 13 177.613 0.000 . 1 . . . . . 345 LEU C . 27630 1 90 . 1 1 23 23 LEU CA C 13 54.658 0.109 . 1 . . . . . 345 LEU CA . 27630 1 91 . 1 1 23 23 LEU CB C 13 41.578 0.000 . 1 . . . . . 345 LEU CB . 27630 1 92 . 1 1 23 23 LEU N N 15 122.689 0.032 . 1 . . . . . 345 LEU N . 27630 1 93 . 1 1 24 24 GLY H H 1 8.307 0.001 . 1 . . . . . 346 GLY H . 27630 1 94 . 1 1 24 24 GLY C C 13 174.974 0.000 . 1 . . . . . 346 GLY C . 27630 1 95 . 1 1 24 24 GLY CA C 13 45.106 0.023 . 1 . . . . . 346 GLY CA . 27630 1 96 . 1 1 24 24 GLY N N 15 107.515 0.036 . 1 . . . . . 346 GLY N . 27630 1 97 . 1 1 25 25 VAL H H 1 8.204 0.006 . 1 . . . . . 347 VAL H . 27630 1 98 . 1 1 25 25 VAL C C 13 176.367 0.000 . 1 . . . . . 347 VAL C . 27630 1 99 . 1 1 25 25 VAL CA C 13 62.154 0.040 . 1 . . . . . 347 VAL CA . 27630 1 100 . 1 1 25 25 VAL CB C 13 31.442 0.000 . 1 . . . . . 347 VAL CB . 27630 1 101 . 1 1 25 25 VAL N N 15 119.194 0.028 . 1 . . . . . 347 VAL N . 27630 1 102 . 1 1 26 26 MET H H 1 8.768 0.003 . 1 . . . . . 348 MET H . 27630 1 103 . 1 1 26 26 MET C C 13 175.987 0.000 . 1 . . . . . 348 MET C . 27630 1 104 . 1 1 26 26 MET CA C 13 55.980 0.048 . 1 . . . . . 348 MET CA . 27630 1 105 . 1 1 26 26 MET N N 15 123.292 0.009 . 1 . . . . . 348 MET N . 27630 1 106 . 1 1 27 27 ALA H H 1 8.061 0.005 . 1 . . . . . 349 ALA H . 27630 1 107 . 1 1 27 27 ALA C C 13 176.978 0.000 . 1 . . . . . 349 ALA C . 27630 1 108 . 1 1 27 27 ALA CA C 13 51.523 0.081 . 1 . . . . . 349 ALA CA . 27630 1 109 . 1 1 27 27 ALA CB C 13 18.912 0.022 . 1 . . . . . 349 ALA CB . 27630 1 110 . 1 1 27 27 ALA N N 15 122.601 0.040 . 1 . . . . . 349 ALA N . 27630 1 111 . 1 1 28 28 ASP H H 1 7.869 0.007 . 1 . . . . . 350 ASP H . 27630 1 112 . 1 1 28 28 ASP C C 13 177.250 0.000 . 1 . . . . . 350 ASP C . 27630 1 113 . 1 1 28 28 ASP CA C 13 55.068 0.059 . 1 . . . . . 350 ASP CA . 27630 1 114 . 1 1 28 28 ASP CB C 13 40.146 0.044 . 1 . . . . . 350 ASP CB . 27630 1 115 . 1 1 28 28 ASP N N 15 119.296 0.051 . 1 . . . . . 350 ASP N . 27630 1 116 . 1 1 29 29 GLY H H 1 8.424 0.005 . 1 . . . . . 351 GLY H . 27630 1 117 . 1 1 29 29 GLY C C 13 174.073 0.000 . 1 . . . . . 351 GLY C . 27630 1 118 . 1 1 29 29 GLY CA C 13 45.057 0.008 . 1 . . . . . 351 GLY CA . 27630 1 119 . 1 1 29 29 GLY N N 15 109.020 0.025 . 1 . . . . . 351 GLY N . 27630 1 120 . 1 1 30 30 VAL H H 1 7.684 0.002 . 1 . . . . . 352 VAL H . 27630 1 121 . 1 1 30 30 VAL C C 13 175.556 0.000 . 1 . . . . . 352 VAL C . 27630 1 122 . 1 1 30 30 VAL CA C 13 61.188 0.022 . 1 . . . . . 352 VAL CA . 27630 1 123 . 1 1 30 30 VAL CB C 13 31.812 0.050 . 1 . . . . . 352 VAL CB . 27630 1 124 . 1 1 30 30 VAL N N 15 120.387 0.011 . 1 . . . . . 352 VAL N . 27630 1 125 . 1 1 31 31 ALA H H 1 8.638 0.003 . 1 . . . . . 353 ALA H . 27630 1 126 . 1 1 31 31 ALA CA C 13 50.196 0.002 . 1 . . . . . 353 ALA CA . 27630 1 127 . 1 1 31 31 ALA CB C 13 17.696 0.000 . 1 . . . . . 353 ALA CB . 27630 1 128 . 1 1 31 31 ALA N N 15 130.367 0.038 . 1 . . . . . 353 ALA N . 27630 1 129 . 1 1 32 32 PRO C C 13 176.012 0.000 . 1 . . . . . 354 PRO C . 27630 1 130 . 1 1 32 32 PRO CA C 13 59.281 0.004 . 1 . . . . . 354 PRO CA . 27630 1 131 . 1 1 33 33 VAL H H 1 8.681 0.003 . 1 . . . . . 355 VAL H . 27630 1 132 . 1 1 33 33 VAL C C 13 176.358 0.000 . 1 . . . . . 355 VAL C . 27630 1 133 . 1 1 33 33 VAL CA C 13 59.068 0.040 . 1 . . . . . 355 VAL CA . 27630 1 134 . 1 1 33 33 VAL N N 15 123.765 0.065 . 1 . . . . . 355 VAL N . 27630 1 135 . 1 1 34 34 PHE H H 1 8.695 0.002 . 1 . . . . . 356 PHE H . 27630 1 136 . 1 1 34 34 PHE C C 13 176.275 0.000 . 1 . . . . . 356 PHE C . 27630 1 137 . 1 1 34 34 PHE CA C 13 55.876 0.030 . 1 . . . . . 356 PHE CA . 27630 1 138 . 1 1 34 34 PHE CB C 13 38.502 0.000 . 1 . . . . . 356 PHE CB . 27630 1 139 . 1 1 34 34 PHE N N 15 124.685 0.057 . 1 . . . . . 356 PHE N . 27630 1 140 . 1 1 35 35 LYS H H 1 8.460 0.002 . 1 . . . . . 357 LYS H . 27630 1 141 . 1 1 35 35 LYS CA C 13 55.717 0.017 . 1 . . . . . 357 LYS CA . 27630 1 142 . 1 1 35 35 LYS CB C 13 32.005 0.000 . 1 . . . . . 357 LYS CB . 27630 1 143 . 1 1 35 35 LYS N N 15 123.455 0.035 . 1 . . . . . 357 LYS N . 27630 1 144 . 1 1 36 36 LYS C C 13 176.701 0.000 . 1 . . . . . 358 LYS C . 27630 1 145 . 1 1 36 36 LYS CA C 13 55.560 0.006 . 1 . . . . . 358 LYS CA . 27630 1 146 . 1 1 36 36 LYS CB C 13 31.838 0.000 . 1 . . . . . 358 LYS CB . 27630 1 147 . 1 1 37 37 ARG H H 1 8.737 0.001 . 1 . . . . . 359 ARG H . 27630 1 148 . 1 1 37 37 ARG CA C 13 55.261 0.042 . 1 . . . . . 359 ARG CA . 27630 1 149 . 1 1 37 37 ARG CB C 13 30.221 0.000 . 1 . . . . . 359 ARG CB . 27630 1 150 . 1 1 37 37 ARG N N 15 124.365 0.103 . 1 . . . . . 359 ARG N . 27630 1 151 . 1 1 38 38 ARG H H 1 8.771 0.004 . 1 . . . . . 360 ARG H . 27630 1 152 . 1 1 38 38 ARG C C 13 176.731 0.000 . 1 . . . . . 360 ARG C . 27630 1 153 . 1 1 38 38 ARG CA C 13 55.964 0.017 . 1 . . . . . 360 ARG CA . 27630 1 154 . 1 1 38 38 ARG CB C 13 29.946 0.047 . 1 . . . . . 360 ARG CB . 27630 1 155 . 1 1 38 38 ARG N N 15 123.314 0.022 . 1 . . . . . 360 ARG N . 27630 1 156 . 1 1 39 39 THR H H 1 8.273 0.002 . 1 . . . . . 361 THR H . 27630 1 157 . 1 1 39 39 THR C C 13 174.867 0.000 . 1 . . . . . 361 THR C . 27630 1 158 . 1 1 39 39 THR CA C 13 61.511 0.045 . 1 . . . . . 361 THR CA . 27630 1 159 . 1 1 39 39 THR CB C 13 69.035 0.000 . 1 . . . . . 361 THR CB . 27630 1 160 . 1 1 39 39 THR N N 15 115.902 0.016 . 1 . . . . . 361 THR N . 27630 1 161 . 1 1 40 40 GLU H H 1 8.650 0.002 . 1 . . . . . 362 GLU H . 27630 1 162 . 1 1 40 40 GLU C C 13 176.531 0.000 . 1 . . . . . 362 GLU C . 27630 1 163 . 1 1 40 40 GLU CA C 13 56.461 0.042 . 1 . . . . . 362 GLU CA . 27630 1 164 . 1 1 40 40 GLU CB C 13 29.347 0.009 . 1 . . . . . 362 GLU CB . 27630 1 165 . 1 1 40 40 GLU N N 15 122.879 0.046 . 1 . . . . . 362 GLU N . 27630 1 166 . 1 1 41 41 ASN H H 1 8.466 0.003 . 1 . . . . . 363 ASN H . 27630 1 167 . 1 1 41 41 ASN C C 13 176.082 0.000 . 1 . . . . . 363 ASN C . 27630 1 168 . 1 1 41 41 ASN CA C 13 53.413 0.009 . 1 . . . . . 363 ASN CA . 27630 1 169 . 1 1 41 41 ASN CB C 13 38.164 0.035 . 1 . . . . . 363 ASN CB . 27630 1 170 . 1 1 41 41 ASN N N 15 119.308 0.024 . 1 . . . . . 363 ASN N . 27630 1 171 . 1 1 42 42 GLY H H 1 8.501 0.001 . 1 . . . . . 364 GLY H . 27630 1 172 . 1 1 42 42 GLY C C 13 174.471 0.000 . 1 . . . . . 364 GLY C . 27630 1 173 . 1 1 42 42 GLY CA C 13 45.349 0.020 . 1 . . . . . 364 GLY CA . 27630 1 174 . 1 1 42 42 GLY N N 15 109.537 0.042 . 1 . . . . . 364 GLY N . 27630 1 175 . 1 1 43 43 LYS H H 1 7.998 0.002 . 1 . . . . . 365 LYS H . 27630 1 176 . 1 1 43 43 LYS C C 13 176.814 0.000 . 1 . . . . . 365 LYS C . 27630 1 177 . 1 1 43 43 LYS CA C 13 55.901 0.053 . 1 . . . . . 365 LYS CA . 27630 1 178 . 1 1 43 43 LYS CB C 13 32.078 0.008 . 1 . . . . . 365 LYS CB . 27630 1 179 . 1 1 43 43 LYS N N 15 120.595 0.015 . 1 . . . . . 365 LYS N . 27630 1 180 . 1 1 44 44 SER H H 1 8.429 0.004 . 1 . . . . . 366 SER H . 27630 1 181 . 1 1 44 44 SER C C 13 174.459 0.000 . 1 . . . . . 366 SER C . 27630 1 182 . 1 1 44 44 SER CA C 13 57.905 0.021 . 1 . . . . . 366 SER CA . 27630 1 183 . 1 1 44 44 SER CB C 13 63.030 0.021 . 1 . . . . . 366 SER CB . 27630 1 184 . 1 1 44 44 SER N N 15 117.006 0.025 . 1 . . . . . 366 SER N . 27630 1 185 . 1 1 45 45 ARG H H 1 8.312 0.004 . 1 . . . . . 367 ARG H . 27630 1 186 . 1 1 45 45 ARG C C 13 175.344 0.000 . 1 . . . . . 367 ARG C . 27630 1 187 . 1 1 45 45 ARG CA C 13 55.948 0.039 . 1 . . . . . 367 ARG CA . 27630 1 188 . 1 1 45 45 ARG CB C 13 30.380 0.000 . 1 . . . . . 367 ARG CB . 27630 1 189 . 1 1 45 45 ARG N N 15 123.338 0.112 . 1 . . . . . 367 ARG N . 27630 1 190 . 1 1 46 46 ASN H H 1 8.330 0.001 . 1 . . . . . 368 ASN H . 27630 1 191 . 1 1 46 46 ASN C C 13 173.787 0.000 . 1 . . . . . 368 ASN C . 27630 1 192 . 1 1 46 46 ASN CA C 13 52.924 0.047 . 1 . . . . . 368 ASN CA . 27630 1 193 . 1 1 46 46 ASN CB C 13 38.734 0.000 . 1 . . . . . 368 ASN CB . 27630 1 194 . 1 1 46 46 ASN N N 15 121.893 0.060 . 1 . . . . . 368 ASN N . 27630 1 195 . 1 1 47 47 LEU H H 1 8.098 0.003 . 1 . . . . . 369 LEU H . 27630 1 196 . 1 1 47 47 LEU C C 13 178.419 0.000 . 1 . . . . . 369 LEU C . 27630 1 197 . 1 1 47 47 LEU CA C 13 53.863 0.029 . 1 . . . . . 369 LEU CA . 27630 1 198 . 1 1 47 47 LEU CB C 13 41.034 0.065 . 1 . . . . . 369 LEU CB . 27630 1 199 . 1 1 47 47 LEU N N 15 121.212 0.041 . 1 . . . . . 369 LEU N . 27630 1 200 . 1 1 48 48 ARG H H 1 8.242 0.002 . 1 . . . . . 370 ARG H . 27630 1 201 . 1 1 48 48 ARG C C 13 176.215 0.000 . 1 . . . . . 370 ARG C . 27630 1 202 . 1 1 48 48 ARG CA C 13 56.580 0.033 . 1 . . . . . 370 ARG CA . 27630 1 203 . 1 1 48 48 ARG N N 15 122.576 0.042 . 1 . . . . . 370 ARG N . 27630 1 204 . 1 1 49 49 GLN H H 1 8.749 0.004 . 1 . . . . . 371 GLN H . 27630 1 205 . 1 1 49 49 GLN C C 13 176.180 0.000 . 1 . . . . . 371 GLN C . 27630 1 206 . 1 1 49 49 GLN CA C 13 54.781 0.062 . 1 . . . . . 371 GLN CA . 27630 1 207 . 1 1 49 49 GLN CB C 13 29.294 0.000 . 1 . . . . . 371 GLN CB . 27630 1 208 . 1 1 49 49 GLN N N 15 125.326 0.077 . 1 . . . . . 371 GLN N . 27630 1 209 . 1 1 50 50 ARG H H 1 8.647 0.004 . 1 . . . . . 372 ARG H . 27630 1 210 . 1 1 50 50 ARG C C 13 177.345 0.000 . 1 . . . . . 372 ARG C . 27630 1 211 . 1 1 50 50 ARG CA C 13 56.561 0.030 . 1 . . . . . 372 ARG CA . 27630 1 212 . 1 1 50 50 ARG CB C 13 30.275 0.002 . 1 . . . . . 372 ARG CB . 27630 1 213 . 1 1 50 50 ARG N N 15 123.195 0.045 . 1 . . . . . 372 ARG N . 27630 1 214 . 1 1 51 51 GLY H H 1 8.603 0.002 . 1 . . . . . 373 GLY H . 27630 1 215 . 1 1 51 51 GLY C C 13 173.831 0.000 . 1 . . . . . 373 GLY C . 27630 1 216 . 1 1 51 51 GLY CA C 13 44.646 0.007 . 1 . . . . . 373 GLY CA . 27630 1 217 . 1 1 51 51 GLY N N 15 110.683 0.016 . 1 . . . . . 373 GLY N . 27630 1 218 . 1 1 52 52 ASP H H 1 8.353 0.001 . 1 . . . . . 374 ASP H . 27630 1 219 . 1 1 52 52 ASP C C 13 176.166 0.000 . 1 . . . . . 374 ASP C . 27630 1 220 . 1 1 52 52 ASP CA C 13 53.999 0.014 . 1 . . . . . 374 ASP CA . 27630 1 221 . 1 1 52 52 ASP CB C 13 40.803 0.000 . 1 . . . . . 374 ASP CB . 27630 1 222 . 1 1 52 52 ASP N N 15 120.190 0.011 . 1 . . . . . 374 ASP N . 27630 1 223 . 1 1 53 53 ASP H H 1 8.439 0.001 . 1 . . . . . 375 ASP H . 27630 1 224 . 1 1 53 53 ASP C C 13 175.291 0.000 . 1 . . . . . 375 ASP C . 27630 1 225 . 1 1 53 53 ASP CA C 13 54.064 0.019 . 1 . . . . . 375 ASP CA . 27630 1 226 . 1 1 53 53 ASP CB C 13 40.478 0.051 . 1 . . . . . 375 ASP CB . 27630 1 227 . 1 1 53 53 ASP N N 15 120.605 0.022 . 1 . . . . . 375 ASP N . 27630 1 228 . 1 1 54 54 GLN H H 1 7.875 0.001 . 1 . . . . . 376 GLN H . 27630 1 229 . 1 1 54 54 GLN CA C 13 57.006 0.014 . 1 . . . . . 376 GLN CA . 27630 1 230 . 1 1 54 54 GLN CB C 13 29.761 0.000 . 1 . . . . . 376 GLN CB . 27630 1 231 . 1 1 54 54 GLN N N 15 124.590 0.014 . 1 . . . . . 376 GLN N . 27630 1 stop_ save_