################################### # 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 27421 _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' . . . 27421 1 2 '3D HNCACB' . . . 27421 1 3 '3D CBCA(CO)NH' . . . 27421 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 SER CA C 13 59.149 0.005 . 1 . . . . . 352 SER CA . 27421 1 2 . 1 1 2 2 SER CB C 13 64.836 0.027 . 1 . . . . . 352 SER CB . 27421 1 3 . 1 1 3 3 ASN H H 1 8.754 0.002 . 1 . . . . . 353 ASN H . 27421 1 4 . 1 1 3 3 ASN CA C 13 54.263 0.009 . 1 . . . . . 353 ASN CA . 27421 1 5 . 1 1 3 3 ASN CB C 13 39.638 0.013 . 1 . . . . . 353 ASN CB . 27421 1 6 . 1 1 3 3 ASN N N 15 121.721 0.007 . 1 . . . . . 353 ASN N . 27421 1 7 . 1 1 4 4 VAL H H 1 8.174 0.002 . 1 . . . . . 354 VAL H . 27421 1 8 . 1 1 4 4 VAL CA C 13 63.608 0.019 . 1 . . . . . 354 VAL CA . 27421 1 9 . 1 1 4 4 VAL CB C 13 33.548 0.012 . 1 . . . . . 354 VAL CB . 27421 1 10 . 1 1 4 4 VAL N N 15 121.134 0.011 . 1 . . . . . 354 VAL N . 27421 1 11 . 1 1 5 5 LYS H H 1 8.478 0.002 . 1 . . . . . 355 LYS H . 27421 1 12 . 1 1 5 5 LYS CA C 13 57.335 0.016 . 1 . . . . . 355 LYS CA . 27421 1 13 . 1 1 5 5 LYS CB C 13 33.751 0.034 . 1 . . . . . 355 LYS CB . 27421 1 14 . 1 1 5 5 LYS N N 15 125.937 0.007 . 1 . . . . . 355 LYS N . 27421 1 15 . 1 1 6 6 ARG H H 1 8.430 0.003 . 1 . . . . . 356 ARG H . 27421 1 16 . 1 1 6 6 ARG CA C 13 57.146 0.040 . 1 . . . . . 356 ARG CA . 27421 1 17 . 1 1 6 6 ARG CB C 13 31.791 0.013 . 1 . . . . . 356 ARG CB . 27421 1 18 . 1 1 6 6 ARG N N 15 123.370 0.007 . 1 . . . . . 356 ARG N . 27421 1 19 . 1 1 7 7 ARG H H 1 8.555 0.002 . 1 . . . . . 357 ARG H . 27421 1 20 . 1 1 7 7 ARG CA C 13 57.191 0.013 . 1 . . . . . 357 ARG CA . 27421 1 21 . 1 1 7 7 ARG CB C 13 31.721 0.021 . 1 . . . . . 357 ARG CB . 27421 1 22 . 1 1 7 7 ARG N N 15 123.338 0.005 . 1 . . . . . 357 ARG N . 27421 1 23 . 1 1 8 8 THR H H 1 8.277 0.003 . 1 . . . . . 358 THR H . 27421 1 24 . 1 1 8 8 THR CA C 13 62.896 0.009 . 1 . . . . . 358 THR CA . 27421 1 25 . 1 1 8 8 THR CB C 13 70.858 0.061 . 1 . . . . . 358 THR CB . 27421 1 26 . 1 1 8 8 THR N N 15 115.528 0.008 . 1 . . . . . 358 THR N . 27421 1 27 . 1 1 9 9 HIS H H 1 8.567 0.002 . 1 . . . . . 359 HIS H . 27421 1 28 . 1 1 9 9 HIS CA C 13 57.152 0.043 . 1 . . . . . 359 HIS CA . 27421 1 29 . 1 1 9 9 HIS CB C 13 30.791 0.037 . 1 . . . . . 359 HIS CB . 27421 1 30 . 1 1 9 9 HIS N N 15 121.256 0.010 . 1 . . . . . 359 HIS N . 27421 1 31 . 1 1 10 10 ASN H H 1 8.613 0.003 . 1 . . . . . 360 ASN H . 27421 1 32 . 1 1 10 10 ASN CA C 13 54.539 0.009 . 1 . . . . . 360 ASN CA . 27421 1 33 . 1 1 10 10 ASN CB C 13 39.633 0.048 . 1 . . . . . 360 ASN CB . 27421 1 34 . 1 1 10 10 ASN N N 15 120.650 0.006 . 1 . . . . . 360 ASN N . 27421 1 35 . 1 1 11 11 VAL H H 1 8.254 0.002 . 1 . . . . . 361 VAL H . 27421 1 36 . 1 1 11 11 VAL CA C 13 64.986 0.006 . 1 . . . . . 361 VAL CA . 27421 1 37 . 1 1 11 11 VAL CB C 13 33.265 0.016 . 1 . . . . . 361 VAL CB . 27421 1 38 . 1 1 11 11 VAL N N 15 121.577 0.012 . 1 . . . . . 361 VAL N . 27421 1 39 . 1 1 12 12 LEU H H 1 8.256 0.002 . 1 . . . . . 362 LEU H . 27421 1 40 . 1 1 12 12 LEU CA C 13 57.225 0.038 . 1 . . . . . 362 LEU CA . 27421 1 41 . 1 1 12 12 LEU CB C 13 42.725 0.046 . 1 . . . . . 362 LEU CB . 27421 1 42 . 1 1 12 12 LEU N N 15 123.908 0.011 . 1 . . . . . 362 LEU N . 27421 1 43 . 1 1 13 13 GLU H H 1 8.311 0.004 . 1 . . . . . 363 GLU H . 27421 1 44 . 1 1 13 13 GLU CA C 13 58.575 0.033 . 1 . . . . . 363 GLU CA . 27421 1 45 . 1 1 13 13 GLU CB C 13 30.766 0.018 . 1 . . . . . 363 GLU CB . 27421 1 46 . 1 1 13 13 GLU N N 15 121.340 0.026 . 1 . . . . . 363 GLU N . 27421 1 47 . 1 1 14 14 ARG H H 1 8.237 0.001 . 1 . . . . . 364 ARG H . 27421 1 48 . 1 1 14 14 ARG CA C 13 58.643 0.055 . 1 . . . . . 364 ARG CA . 27421 1 49 . 1 1 14 14 ARG CB C 13 31.205 0.063 . 1 . . . . . 364 ARG CB . 27421 1 50 . 1 1 14 14 ARG N N 15 121.236 0.009 . 1 . . . . . 364 ARG N . 27421 1 51 . 1 1 15 15 GLN H H 1 8.311 0.001 . 1 . . . . . 365 GLN H . 27421 1 52 . 1 1 15 15 GLN CA C 13 58.190 0.041 . 1 . . . . . 365 GLN CA . 27421 1 53 . 1 1 15 15 GLN CB C 13 29.783 0.048 . 1 . . . . . 365 GLN CB . 27421 1 54 . 1 1 15 15 GLN N N 15 120.400 0.012 . 1 . . . . . 365 GLN N . 27421 1 55 . 1 1 16 16 ARG H H 1 8.325 0.002 . 1 . . . . . 366 ARG H . 27421 1 56 . 1 1 16 16 ARG CA C 13 58.368 0.052 . 1 . . . . . 366 ARG CA . 27421 1 57 . 1 1 16 16 ARG CB C 13 31.418 0.001 . 1 . . . . . 366 ARG CB . 27421 1 58 . 1 1 16 16 ARG N N 15 121.724 0.042 . 1 . . . . . 366 ARG N . 27421 1 59 . 1 1 17 17 ARG H H 1 8.335 0.003 . 1 . . . . . 367 ARG H . 27421 1 60 . 1 1 17 17 ARG CA C 13 58.627 0.019 . 1 . . . . . 367 ARG CA . 27421 1 61 . 1 1 17 17 ARG CB C 13 31.295 0.073 . 1 . . . . . 367 ARG CB . 27421 1 62 . 1 1 17 17 ARG N N 15 120.944 0.029 . 1 . . . . . 367 ARG N . 27421 1 63 . 1 1 18 18 ASN H H 1 8.419 0.002 . 1 . . . . . 368 ASN H . 27421 1 64 . 1 1 18 18 ASN CA C 13 55.161 0.041 . 1 . . . . . 368 ASN CA . 27421 1 65 . 1 1 18 18 ASN CB C 13 39.270 0.042 . 1 . . . . . 368 ASN CB . 27421 1 66 . 1 1 18 18 ASN N N 15 119.280 0.009 . 1 . . . . . 368 ASN N . 27421 1 67 . 1 1 19 19 GLU H H 1 8.320 0.006 . 1 . . . . . 369 GLU H . 27421 1 68 . 1 1 19 19 GLU CA C 13 58.490 0.040 . 1 . . . . . 369 GLU CA . 27421 1 69 . 1 1 19 19 GLU CB C 13 30.790 0.039 . 1 . . . . . 369 GLU CB . 27421 1 70 . 1 1 19 19 GLU N N 15 121.291 0.039 . 1 . . . . . 369 GLU N . 27421 1 71 . 1 1 20 20 LEU H H 1 8.104 0.003 . 1 . . . . . 370 LEU H . 27421 1 72 . 1 1 20 20 LEU CA C 13 57.003 0.037 . 1 . . . . . 370 LEU CA . 27421 1 73 . 1 1 20 20 LEU CB C 13 42.916 0.009 . 1 . . . . . 370 LEU CB . 27421 1 74 . 1 1 20 20 LEU N N 15 121.912 0.009 . 1 . . . . . 370 LEU N . 27421 1 75 . 1 1 21 21 LYS H H 1 8.095 0.003 . 1 . . . . . 371 LYS H . 27421 1 76 . 1 1 21 21 LYS CA C 13 58.141 0.070 . 1 . . . . . 371 LYS CA . 27421 1 77 . 1 1 21 21 LYS CB C 13 33.624 0.016 . 1 . . . . . 371 LYS CB . 27421 1 78 . 1 1 21 21 LYS N N 15 121.197 0.010 . 1 . . . . . 371 LYS N . 27421 1 79 . 1 1 22 22 ARG H H 1 8.217 0.001 . 1 . . . . . 372 ARG H . 27421 1 80 . 1 1 22 22 ARG CA C 13 57.969 0.087 . 1 . . . . . 372 ARG CA . 27421 1 81 . 1 1 22 22 ARG CB C 13 31.555 0.051 . 1 . . . . . 372 ARG CB . 27421 1 82 . 1 1 22 22 ARG N N 15 121.202 0.005 . 1 . . . . . 372 ARG N . 27421 1 83 . 1 1 23 23 SER H H 1 8.277 0.003 . 1 . . . . . 373 SER H . 27421 1 84 . 1 1 23 23 SER CA C 13 59.876 0.003 . 1 . . . . . 373 SER CA . 27421 1 85 . 1 1 23 23 SER CB C 13 64.522 0.002 . 1 . . . . . 373 SER CB . 27421 1 86 . 1 1 23 23 SER N N 15 116.457 0.008 . 1 . . . . . 373 SER N . 27421 1 87 . 1 1 24 24 PHE H H 1 8.165 0.001 . 1 . . . . . 374 PHE H . 27421 1 88 . 1 1 24 24 PHE CA C 13 59.738 0.012 . 1 . . . . . 374 PHE CA . 27421 1 89 . 1 1 24 24 PHE CB C 13 40.435 0.013 . 1 . . . . . 374 PHE CB . 27421 1 90 . 1 1 24 24 PHE N N 15 122.322 0.011 . 1 . . . . . 374 PHE N . 27421 1 91 . 1 1 25 25 PHE H H 1 8.104 0.002 . 1 . . . . . 375 PHE H . 27421 1 92 . 1 1 25 25 PHE CA C 13 59.161 0.025 . 1 . . . . . 375 PHE CA . 27421 1 93 . 1 1 25 25 PHE CB C 13 40.362 0.032 . 1 . . . . . 375 PHE CB . 27421 1 94 . 1 1 25 25 PHE N N 15 120.816 0.010 . 1 . . . . . 375 PHE N . 27421 1 95 . 1 1 26 26 ALA H H 1 8.117 0.002 . 1 . . . . . 376 ALA H . 27421 1 96 . 1 1 26 26 ALA CA C 13 53.778 0.010 . 1 . . . . . 376 ALA CA . 27421 1 97 . 1 1 26 26 ALA CB C 13 20.059 0.022 . 1 . . . . . 376 ALA CB . 27421 1 98 . 1 1 26 26 ALA N N 15 124.598 0.018 . 1 . . . . . 376 ALA N . 27421 1 99 . 1 1 27 27 LEU H H 1 8.084 0.002 . 1 . . . . . 377 LEU H . 27421 1 100 . 1 1 27 27 LEU CA C 13 56.510 0.017 . 1 . . . . . 377 LEU CA . 27421 1 101 . 1 1 27 27 LEU CB C 13 42.986 0.024 . 1 . . . . . 377 LEU CB . 27421 1 102 . 1 1 27 27 LEU N N 15 120.627 0.015 . 1 . . . . . 377 LEU N . 27421 1 103 . 1 1 28 28 ARG H H 1 8.156 0.002 . 1 . . . . . 378 ARG H . 27421 1 104 . 1 1 28 28 ARG CA C 13 57.482 0.004 . 1 . . . . . 378 ARG CA . 27421 1 105 . 1 1 28 28 ARG CB C 13 31.587 0.029 . 1 . . . . . 378 ARG CB . 27421 1 106 . 1 1 28 28 ARG N N 15 120.818 0.021 . 1 . . . . . 378 ARG N . 27421 1 107 . 1 1 29 29 ASP H H 1 8.294 0.003 . 1 . . . . . 379 ASP H . 27421 1 108 . 1 1 29 29 ASP CA C 13 55.554 0.002 . 1 . . . . . 379 ASP CA . 27421 1 109 . 1 1 29 29 ASP CB C 13 41.821 0.022 . 1 . . . . . 379 ASP CB . 27421 1 110 . 1 1 29 29 ASP N N 15 120.185 0.012 . 1 . . . . . 379 ASP N . 27421 1 111 . 1 1 30 30 GLN H H 1 8.160 0.001 . 1 . . . . . 380 GLN H . 27421 1 112 . 1 1 30 30 GLN CA C 13 56.481 0.023 . 1 . . . . . 380 GLN CA . 27421 1 113 . 1 1 30 30 GLN CB C 13 30.423 0.016 . 1 . . . . . 380 GLN CB . 27421 1 114 . 1 1 30 30 GLN N N 15 119.809 0.008 . 1 . . . . . 380 GLN N . 27421 1 115 . 1 1 31 31 ILE H H 1 8.330 0.004 . 1 . . . . . 381 ILE H . 27421 1 116 . 1 1 31 31 ILE CA C 13 59.923 0.000 . 1 . . . . . 381 ILE CA . 27421 1 117 . 1 1 31 31 ILE CB C 13 39.197 0.000 . 1 . . . . . 381 ILE CB . 27421 1 118 . 1 1 31 31 ILE N N 15 124.485 0.011 . 1 . . . . . 381 ILE N . 27421 1 119 . 1 1 32 32 PRO CA C 13 64.290 0.020 . 1 . . . . . 382 PRO CA . 27421 1 120 . 1 1 32 32 PRO CB C 13 33.101 0.011 . 1 . . . . . 382 PRO CB . 27421 1 121 . 1 1 33 33 GLU H H 1 8.580 0.002 . 1 . . . . . 383 GLU H . 27421 1 122 . 1 1 33 33 GLU CA C 13 57.507 0.044 . 1 . . . . . 383 GLU CA . 27421 1 123 . 1 1 33 33 GLU CB C 13 31.098 0.056 . 1 . . . . . 383 GLU CB . 27421 1 124 . 1 1 33 33 GLU N N 15 121.460 0.028 . 1 . . . . . 383 GLU N . 27421 1 125 . 1 1 34 34 LEU H H 1 8.358 0.004 . 1 . . . . . 384 LEU H . 27421 1 126 . 1 1 34 34 LEU CA C 13 56.084 0.012 . 1 . . . . . 384 LEU CA . 27421 1 127 . 1 1 34 34 LEU CB C 13 43.324 0.020 . 1 . . . . . 384 LEU CB . 27421 1 128 . 1 1 34 34 LEU N N 15 123.393 0.008 . 1 . . . . . 384 LEU N . 27421 1 129 . 1 1 35 35 GLU H H 1 8.490 0.002 . 1 . . . . . 385 GLU H . 27421 1 130 . 1 1 35 35 GLU CA C 13 57.455 0.010 . 1 . . . . . 385 GLU CA . 27421 1 131 . 1 1 35 35 GLU CB C 13 31.224 0.029 . 1 . . . . . 385 GLU CB . 27421 1 132 . 1 1 35 35 GLU N N 15 121.856 0.008 . 1 . . . . . 385 GLU N . 27421 1 133 . 1 1 36 36 ASN H H 1 8.568 0.004 . 1 . . . . . 386 ASN H . 27421 1 134 . 1 1 36 36 ASN CA C 13 54.261 0.000 . 1 . . . . . 386 ASN CA . 27421 1 135 . 1 1 36 36 ASN CB C 13 39.792 0.000 . 1 . . . . . 386 ASN CB . 27421 1 136 . 1 1 36 36 ASN N N 15 119.921 0.050 . 1 . . . . . 386 ASN N . 27421 1 137 . 1 1 37 37 ASN H H 1 8.566 0.002 . 1 . . . . . 387 ASN H . 27421 1 138 . 1 1 37 37 ASN CA C 13 54.263 0.014 . 1 . . . . . 387 ASN CA . 27421 1 139 . 1 1 37 37 ASN CB C 13 39.834 0.032 . 1 . . . . . 387 ASN CB . 27421 1 140 . 1 1 37 37 ASN N N 15 119.859 0.025 . 1 . . . . . 387 ASN N . 27421 1 141 . 1 1 38 38 GLU H H 1 8.415 0.002 . 1 . . . . . 388 GLU H . 27421 1 142 . 1 1 38 38 GLU CA C 13 57.774 0.012 . 1 . . . . . 388 GLU CA . 27421 1 143 . 1 1 38 38 GLU CB C 13 30.987 0.011 . 1 . . . . . 388 GLU CB . 27421 1 144 . 1 1 38 38 GLU N N 15 121.221 0.007 . 1 . . . . . 388 GLU N . 27421 1 145 . 1 1 39 39 LYS H H 1 8.320 0.003 . 1 . . . . . 389 LYS H . 27421 1 146 . 1 1 39 39 LYS CA C 13 56.874 0.012 . 1 . . . . . 389 LYS CA . 27421 1 147 . 1 1 39 39 LYS CB C 13 33.890 0.006 . 1 . . . . . 389 LYS CB . 27421 1 148 . 1 1 39 39 LYS N N 15 122.015 0.010 . 1 . . . . . 389 LYS N . 27421 1 149 . 1 1 40 40 ALA H H 1 8.297 0.003 . 1 . . . . . 390 ALA H . 27421 1 150 . 1 1 40 40 ALA CA C 13 51.456 0.000 . 1 . . . . . 390 ALA CA . 27421 1 151 . 1 1 40 40 ALA CB C 13 18.946 0.000 . 1 . . . . . 390 ALA CB . 27421 1 152 . 1 1 40 40 ALA N N 15 126.584 0.008 . 1 . . . . . 390 ALA N . 27421 1 153 . 1 1 41 41 PRO CA C 13 63.746 0.000 . 1 . . . . . 391 PRO CA . 27421 1 154 . 1 1 41 41 PRO CB C 13 33.097 0.000 . 1 . . . . . 391 PRO CB . 27421 1 155 . 1 1 42 42 LYS H H 1 8.498 0.003 . 1 . . . . . 392 LYS H . 27421 1 156 . 1 1 42 42 LYS CA C 13 57.271 0.005 . 1 . . . . . 392 LYS CA . 27421 1 157 . 1 1 42 42 LYS CB C 13 33.942 0.009 . 1 . . . . . 392 LYS CB . 27421 1 158 . 1 1 42 42 LYS N N 15 122.445 0.003 . 1 . . . . . 392 LYS N . 27421 1 159 . 1 1 43 43 VAL H H 1 8.318 0.004 . 1 . . . . . 393 VAL H . 27421 1 160 . 1 1 43 43 VAL CA C 13 63.319 0.007 . 1 . . . . . 393 VAL CA . 27421 1 161 . 1 1 43 43 VAL CB C 13 33.781 0.036 . 1 . . . . . 393 VAL CB . 27421 1 162 . 1 1 43 43 VAL N N 15 123.505 0.019 . 1 . . . . . 393 VAL N . 27421 1 163 . 1 1 44 44 VAL H H 1 8.444 0.004 . 1 . . . . . 394 VAL H . 27421 1 164 . 1 1 44 44 VAL CA C 13 63.265 0.037 . 1 . . . . . 394 VAL CA . 27421 1 165 . 1 1 44 44 VAL CB C 13 33.817 0.050 . 1 . . . . . 394 VAL CB . 27421 1 166 . 1 1 44 44 VAL N N 15 126.903 0.016 . 1 . . . . . 394 VAL N . 27421 1 167 . 1 1 45 45 ILE H H 1 8.474 0.004 . 1 . . . . . 395 ILE H . 27421 1 168 . 1 1 45 45 ILE CA C 13 61.502 0.022 . 1 . . . . . 395 ILE CA . 27421 1 169 . 1 1 45 45 ILE CB C 13 39.220 0.023 . 1 . . . . . 395 ILE CB . 27421 1 170 . 1 1 45 45 ILE N N 15 127.559 0.026 . 1 . . . . . 395 ILE N . 27421 1 171 . 1 1 46 46 LEU H H 1 8.497 0.003 . 1 . . . . . 396 LEU H . 27421 1 172 . 1 1 46 46 LEU CA C 13 55.776 0.022 . 1 . . . . . 396 LEU CA . 27421 1 173 . 1 1 46 46 LEU CB C 13 43.308 0.026 . 1 . . . . . 396 LEU CB . 27421 1 174 . 1 1 46 46 LEU N N 15 128.396 0.010 . 1 . . . . . 396 LEU N . 27421 1 175 . 1 1 47 47 LYS H H 1 8.459 0.004 . 1 . . . . . 397 LYS H . 27421 1 176 . 1 1 47 47 LYS CA C 13 57.065 0.025 . 1 . . . . . 397 LYS CA . 27421 1 177 . 1 1 47 47 LYS CB C 13 34.014 0.027 . 1 . . . . . 397 LYS CB . 27421 1 178 . 1 1 47 47 LYS N N 15 123.629 0.018 . 1 . . . . . 397 LYS N . 27421 1 179 . 1 1 48 48 LYS H H 1 8.501 0.003 . 1 . . . . . 398 LYS H . 27421 1 180 . 1 1 48 48 LYS CA C 13 57.503 0.045 . 1 . . . . . 398 LYS CA . 27421 1 181 . 1 1 48 48 LYS CB C 13 33.987 0.005 . 1 . . . . . 398 LYS CB . 27421 1 182 . 1 1 48 48 LYS N N 15 124.196 0.012 . 1 . . . . . 398 LYS N . 27421 1 183 . 1 1 49 49 ALA H H 1 8.530 0.004 . 1 . . . . . 399 ALA H . 27421 1 184 . 1 1 49 49 ALA CA C 13 53.790 0.000 . 1 . . . . . 399 ALA CA . 27421 1 185 . 1 1 49 49 ALA CB C 13 20.010 0.000 . 1 . . . . . 399 ALA CB . 27421 1 186 . 1 1 49 49 ALA N N 15 125.332 0.024 . 1 . . . . . 399 ALA N . 27421 1 187 . 1 1 50 50 ASP CA C 13 55.612 0.000 . 1 . . . . . 400 ASP CA . 27421 1 188 . 1 1 50 50 ASP CB C 13 41.958 0.000 . 1 . . . . . 400 ASP CB . 27421 1 189 . 1 1 51 51 ALA H H 1 8.206 0.003 . 1 . . . . . 401 ALA H . 27421 1 190 . 1 1 51 51 ALA CA C 13 54.159 0.000 . 1 . . . . . 401 ALA CA . 27421 1 191 . 1 1 51 51 ALA CB C 13 20.017 0.000 . 1 . . . . . 401 ALA CB . 27421 1 192 . 1 1 51 51 ALA N N 15 123.560 0.013 . 1 . . . . . 401 ALA N . 27421 1 stop_ save_