################################### # 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 27419 _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' . . . 27419 1 2 '3D HNCACB' . . . 27419 1 3 '3D CBCA(CO)NH' . . . 27419 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 59.136 0.020 . 1 . . . . . 352 SER CA . 27419 1 2 . 1 1 2 2 SER CB C 13 64.815 0.000 . 1 . . . . . 352 SER CB . 27419 1 3 . 1 1 3 3 ASN H H 1 8.748 0.002 . 1 . . . . . 353 ASN H . 27419 1 4 . 1 1 3 3 ASN CA C 13 54.258 0.015 . 1 . . . . . 353 ASN CA . 27419 1 5 . 1 1 3 3 ASN CB C 13 39.652 0.015 . 1 . . . . . 353 ASN CB . 27419 1 6 . 1 1 3 3 ASN N N 15 121.701 0.015 . 1 . . . . . 353 ASN N . 27419 1 7 . 1 1 4 4 VAL H H 1 8.168 0.003 . 1 . . . . . 354 VAL H . 27419 1 8 . 1 1 4 4 VAL CA C 13 63.589 0.014 . 1 . . . . . 354 VAL CA . 27419 1 9 . 1 1 4 4 VAL CB C 13 33.568 0.013 . 1 . . . . . 354 VAL CB . 27419 1 10 . 1 1 4 4 VAL N N 15 121.129 0.017 . 1 . . . . . 354 VAL N . 27419 1 11 . 1 1 5 5 LYS H H 1 8.474 0.004 . 1 . . . . . 355 LYS H . 27419 1 12 . 1 1 5 5 LYS CA C 13 57.310 0.005 . 1 . . . . . 355 LYS CA . 27419 1 13 . 1 1 5 5 LYS CB C 13 33.753 0.033 . 1 . . . . . 355 LYS CB . 27419 1 14 . 1 1 5 5 LYS N N 15 125.946 0.014 . 1 . . . . . 355 LYS N . 27419 1 15 . 1 1 6 6 ARG H H 1 8.427 0.004 . 1 . . . . . 356 ARG H . 27419 1 16 . 1 1 6 6 ARG CA C 13 57.123 0.047 . 1 . . . . . 356 ARG CA . 27419 1 17 . 1 1 6 6 ARG CB C 13 31.778 0.001 . 1 . . . . . 356 ARG CB . 27419 1 18 . 1 1 6 6 ARG N N 15 123.373 0.011 . 1 . . . . . 356 ARG N . 27419 1 19 . 1 1 7 7 ARG H H 1 8.554 0.004 . 1 . . . . . 357 ARG H . 27419 1 20 . 1 1 7 7 ARG CA C 13 57.179 0.010 . 1 . . . . . 357 ARG CA . 27419 1 21 . 1 1 7 7 ARG CB C 13 31.755 0.010 . 1 . . . . . 357 ARG CB . 27419 1 22 . 1 1 7 7 ARG N N 15 123.359 0.007 . 1 . . . . . 357 ARG N . 27419 1 23 . 1 1 8 8 THR H H 1 8.277 0.003 . 1 . . . . . 358 THR H . 27419 1 24 . 1 1 8 8 THR CA C 13 62.864 0.026 . 1 . . . . . 358 THR CA . 27419 1 25 . 1 1 8 8 THR CB C 13 70.805 0.009 . 1 . . . . . 358 THR CB . 27419 1 26 . 1 1 8 8 THR N N 15 115.570 0.011 . 1 . . . . . 358 THR N . 27419 1 27 . 1 1 9 9 HIS H H 1 8.527 0.004 . 1 . . . . . 359 HIS H . 27419 1 28 . 1 1 9 9 HIS CA C 13 57.176 0.048 . 1 . . . . . 359 HIS CA . 27419 1 29 . 1 1 9 9 HIS CB C 13 31.145 0.022 . 1 . . . . . 359 HIS CB . 27419 1 30 . 1 1 9 9 HIS N N 15 121.448 0.013 . 1 . . . . . 359 HIS N . 27419 1 31 . 1 1 10 10 ASN H H 1 8.597 0.003 . 1 . . . . . 360 ASN H . 27419 1 32 . 1 1 10 10 ASN CA C 13 54.455 0.023 . 1 . . . . . 360 ASN CA . 27419 1 33 . 1 1 10 10 ASN CB C 13 39.640 0.010 . 1 . . . . . 360 ASN CB . 27419 1 34 . 1 1 10 10 ASN N N 15 120.685 0.015 . 1 . . . . . 360 ASN N . 27419 1 35 . 1 1 11 11 VAL H H 1 8.248 0.003 . 1 . . . . . 361 VAL H . 27419 1 36 . 1 1 11 11 VAL CA C 13 64.937 0.016 . 1 . . . . . 361 VAL CA . 27419 1 37 . 1 1 11 11 VAL CB C 13 33.276 0.039 . 1 . . . . . 361 VAL CB . 27419 1 38 . 1 1 11 11 VAL N N 15 121.526 0.013 . 1 . . . . . 361 VAL N . 27419 1 39 . 1 1 12 12 LEU H H 1 8.249 0.003 . 1 . . . . . 362 LEU H . 27419 1 40 . 1 1 12 12 LEU CA C 13 57.126 0.005 . 1 . . . . . 362 LEU CA . 27419 1 41 . 1 1 12 12 LEU CB C 13 42.746 0.028 . 1 . . . . . 362 LEU CB . 27419 1 42 . 1 1 12 12 LEU N N 15 123.912 0.018 . 1 . . . . . 362 LEU N . 27419 1 43 . 1 1 13 13 GLU H H 1 8.303 0.004 . 1 . . . . . 363 GLU H . 27419 1 44 . 1 1 13 13 GLU CA C 13 58.547 0.024 . 1 . . . . . 363 GLU CA . 27419 1 45 . 1 1 13 13 GLU CB C 13 30.784 0.014 . 1 . . . . . 363 GLU CB . 27419 1 46 . 1 1 13 13 GLU N N 15 121.383 0.014 . 1 . . . . . 363 GLU N . 27419 1 47 . 1 1 14 14 ARG H H 1 8.242 0.003 . 1 . . . . . 364 ARG H . 27419 1 48 . 1 1 14 14 ARG CA C 13 58.640 0.038 . 1 . . . . . 364 ARG CA . 27419 1 49 . 1 1 14 14 ARG CB C 13 31.276 0.070 . 1 . . . . . 364 ARG CB . 27419 1 50 . 1 1 14 14 ARG N N 15 121.245 0.013 . 1 . . . . . 364 ARG N . 27419 1 51 . 1 1 15 15 GLN H H 1 8.308 0.002 . 1 . . . . . 365 GLN H . 27419 1 52 . 1 1 15 15 GLN CA C 13 58.153 0.101 . 1 . . . . . 365 GLN CA . 27419 1 53 . 1 1 15 15 GLN CB C 13 29.819 0.018 . 1 . . . . . 365 GLN CB . 27419 1 54 . 1 1 15 15 GLN N N 15 120.397 0.008 . 1 . . . . . 365 GLN N . 27419 1 55 . 1 1 16 16 ARG H H 1 8.309 0.004 . 1 . . . . . 366 ARG H . 27419 1 56 . 1 1 16 16 ARG CA C 13 58.301 0.021 . 1 . . . . . 366 ARG CA . 27419 1 57 . 1 1 16 16 ARG CB C 13 31.353 0.005 . 1 . . . . . 366 ARG CB . 27419 1 58 . 1 1 16 16 ARG N N 15 121.743 0.033 . 1 . . . . . 366 ARG N . 27419 1 59 . 1 1 17 17 ARG H H 1 8.326 0.003 . 1 . . . . . 367 ARG H . 27419 1 60 . 1 1 17 17 ARG CA C 13 58.560 0.035 . 1 . . . . . 367 ARG CA . 27419 1 61 . 1 1 17 17 ARG CB C 13 31.344 0.003 . 1 . . . . . 367 ARG CB . 27419 1 62 . 1 1 17 17 ARG N N 15 120.871 0.005 . 1 . . . . . 367 ARG N . 27419 1 63 . 1 1 18 18 ASN H H 1 8.406 0.003 . 1 . . . . . 368 ASN H . 27419 1 64 . 1 1 18 18 ASN CA C 13 55.178 0.032 . 1 . . . . . 368 ASN CA . 27419 1 65 . 1 1 18 18 ASN CB C 13 39.342 0.018 . 1 . . . . . 368 ASN CB . 27419 1 66 . 1 1 18 18 ASN N N 15 119.187 0.015 . 1 . . . . . 368 ASN N . 27419 1 67 . 1 1 19 19 GLU H H 1 8.319 0.007 . 1 . . . . . 369 GLU H . 27419 1 68 . 1 1 19 19 GLU CA C 13 58.497 0.026 . 1 . . . . . 369 GLU CA . 27419 1 69 . 1 1 19 19 GLU CB C 13 30.820 0.042 . 1 . . . . . 369 GLU CB . 27419 1 70 . 1 1 19 19 GLU N N 15 121.353 0.017 . 1 . . . . . 369 GLU N . 27419 1 71 . 1 1 20 20 LEU H H 1 8.112 0.003 . 1 . . . . . 370 LEU H . 27419 1 72 . 1 1 20 20 LEU CA C 13 56.911 0.011 . 1 . . . . . 370 LEU CA . 27419 1 73 . 1 1 20 20 LEU CB C 13 43.054 0.043 . 1 . . . . . 370 LEU CB . 27419 1 74 . 1 1 20 20 LEU N N 15 121.694 0.022 . 1 . . . . . 370 LEU N . 27419 1 75 . 1 1 21 21 LYS H H 1 8.113 0.003 . 1 . . . . . 371 LYS H . 27419 1 76 . 1 1 21 21 LYS CA C 13 58.056 0.002 . 1 . . . . . 371 LYS CA . 27419 1 77 . 1 1 21 21 LYS CB C 13 33.583 0.027 . 1 . . . . . 371 LYS CB . 27419 1 78 . 1 1 21 21 LYS N N 15 121.379 0.012 . 1 . . . . . 371 LYS N . 27419 1 79 . 1 1 22 22 ARG H H 1 8.202 0.003 . 1 . . . . . 372 ARG H . 27419 1 80 . 1 1 22 22 ARG CA C 13 58.090 0.007 . 1 . . . . . 372 ARG CA . 27419 1 81 . 1 1 22 22 ARG CB C 13 31.528 0.005 . 1 . . . . . 372 ARG CB . 27419 1 82 . 1 1 22 22 ARG N N 15 121.553 0.019 . 1 . . . . . 372 ARG N . 27419 1 83 . 1 1 23 23 GLU H H 1 8.390 0.004 . 1 . . . . . 373 GLU H . 27419 1 84 . 1 1 23 23 GLU CA C 13 58.165 0.029 . 1 . . . . . 373 GLU CA . 27419 1 85 . 1 1 23 23 GLU CB C 13 31.094 0.043 . 1 . . . . . 373 GLU CB . 27419 1 86 . 1 1 23 23 GLU N N 15 121.362 0.014 . 1 . . . . . 373 GLU N . 27419 1 87 . 1 1 24 24 PHE H H 1 8.195 0.003 . 1 . . . . . 374 PHE H . 27419 1 88 . 1 1 24 24 PHE CA C 13 59.550 0.025 . 1 . . . . . 374 PHE CA . 27419 1 89 . 1 1 24 24 PHE CB C 13 40.380 0.052 . 1 . . . . . 374 PHE CB . 27419 1 90 . 1 1 24 24 PHE N N 15 120.697 0.013 . 1 . . . . . 374 PHE N . 27419 1 91 . 1 1 25 25 PHE H H 1 8.141 0.004 . 1 . . . . . 375 PHE H . 27419 1 92 . 1 1 25 25 PHE CA C 13 59.232 0.056 . 1 . . . . . 375 PHE CA . 27419 1 93 . 1 1 25 25 PHE CB C 13 40.375 0.043 . 1 . . . . . 375 PHE CB . 27419 1 94 . 1 1 25 25 PHE N N 15 121.255 0.013 . 1 . . . . . 375 PHE N . 27419 1 95 . 1 1 26 26 ALA H H 1 8.161 0.003 . 1 . . . . . 376 ALA H . 27419 1 96 . 1 1 26 26 ALA CA C 13 53.793 0.056 . 1 . . . . . 376 ALA CA . 27419 1 97 . 1 1 26 26 ALA CB C 13 19.993 0.032 . 1 . . . . . 376 ALA CB . 27419 1 98 . 1 1 26 26 ALA N N 15 124.542 0.018 . 1 . . . . . 376 ALA N . 27419 1 99 . 1 1 27 27 LEU H H 1 8.068 0.004 . 1 . . . . . 377 LEU H . 27419 1 100 . 1 1 27 27 LEU CA C 13 56.538 0.018 . 1 . . . . . 377 LEU CA . 27419 1 101 . 1 1 27 27 LEU CB C 13 42.999 0.017 . 1 . . . . . 377 LEU CB . 27419 1 102 . 1 1 27 27 LEU N N 15 120.536 0.016 . 1 . . . . . 377 LEU N . 27419 1 103 . 1 1 28 28 ARG H H 1 8.132 0.005 . 1 . . . . . 378 ARG H . 27419 1 104 . 1 1 28 28 ARG CA C 13 57.517 0.013 . 1 . . . . . 378 ARG CA . 27419 1 105 . 1 1 28 28 ARG CB C 13 31.625 0.042 . 1 . . . . . 378 ARG CB . 27419 1 106 . 1 1 28 28 ARG N N 15 120.813 0.015 . 1 . . . . . 378 ARG N . 27419 1 107 . 1 1 29 29 ASP H H 1 8.280 0.003 . 1 . . . . . 379 ASP H . 27419 1 108 . 1 1 29 29 ASP CA C 13 55.572 0.004 . 1 . . . . . 379 ASP CA . 27419 1 109 . 1 1 29 29 ASP CB C 13 41.830 0.016 . 1 . . . . . 379 ASP CB . 27419 1 110 . 1 1 29 29 ASP N N 15 120.122 0.020 . 1 . . . . . 379 ASP N . 27419 1 111 . 1 1 30 30 GLN H H 1 8.142 0.003 . 1 . . . . . 380 GLN H . 27419 1 112 . 1 1 30 30 GLN CA C 13 56.500 0.013 . 1 . . . . . 380 GLN CA . 27419 1 113 . 1 1 30 30 GLN CB C 13 30.470 0.010 . 1 . . . . . 380 GLN CB . 27419 1 114 . 1 1 30 30 GLN N N 15 119.776 0.023 . 1 . . . . . 380 GLN N . 27419 1 115 . 1 1 31 31 ILE H H 1 8.314 0.004 . 1 . . . . . 381 ILE H . 27419 1 116 . 1 1 31 31 ILE CA C 13 59.912 0.000 . 1 . . . . . 381 ILE CA . 27419 1 117 . 1 1 31 31 ILE CB C 13 39.207 0.000 . 1 . . . . . 381 ILE CB . 27419 1 118 . 1 1 31 31 ILE N N 15 124.450 0.018 . 1 . . . . . 381 ILE N . 27419 1 119 . 1 1 32 32 PRO CA C 13 64.278 0.007 . 1 . . . . . 382 PRO CA . 27419 1 120 . 1 1 32 32 PRO CB C 13 33.135 0.010 . 1 . . . . . 382 PRO CB . 27419 1 121 . 1 1 33 33 GLU H H 1 8.573 0.004 . 1 . . . . . 383 GLU H . 27419 1 122 . 1 1 33 33 GLU CA C 13 57.531 0.022 . 1 . . . . . 383 GLU CA . 27419 1 123 . 1 1 33 33 GLU CB C 13 31.127 0.054 . 1 . . . . . 383 GLU CB . 27419 1 124 . 1 1 33 33 GLU N N 15 121.435 0.013 . 1 . . . . . 383 GLU N . 27419 1 125 . 1 1 34 34 LEU H H 1 8.350 0.004 . 1 . . . . . 384 LEU H . 27419 1 126 . 1 1 34 34 LEU CA C 13 56.103 0.004 . 1 . . . . . 384 LEU CA . 27419 1 127 . 1 1 34 34 LEU CB C 13 43.320 0.015 . 1 . . . . . 384 LEU CB . 27419 1 128 . 1 1 34 34 LEU N N 15 123.371 0.011 . 1 . . . . . 384 LEU N . 27419 1 129 . 1 1 35 35 GLU H H 1 8.483 0.004 . 1 . . . . . 385 GLU H . 27419 1 130 . 1 1 35 35 GLU CA C 13 57.470 0.005 . 1 . . . . . 385 GLU CA . 27419 1 131 . 1 1 35 35 GLU CB C 13 31.214 0.009 . 1 . . . . . 385 GLU CB . 27419 1 132 . 1 1 35 35 GLU N N 15 121.839 0.008 . 1 . . . . . 385 GLU N . 27419 1 133 . 1 1 36 36 ASN H H 1 8.561 0.004 . 1 . . . . . 386 ASN H . 27419 1 134 . 1 1 36 36 ASN CA C 13 54.247 0.014 . 1 . . . . . 386 ASN CA . 27419 1 135 . 1 1 36 36 ASN CB C 13 39.766 0.020 . 1 . . . . . 386 ASN CB . 27419 1 136 . 1 1 36 36 ASN N N 15 119.915 0.046 . 1 . . . . . 386 ASN N . 27419 1 137 . 1 1 37 37 ASN H H 1 8.559 0.004 . 1 . . . . . 387 ASN H . 27419 1 138 . 1 1 37 37 ASN CA C 13 54.294 0.024 . 1 . . . . . 387 ASN CA . 27419 1 139 . 1 1 37 37 ASN CB C 13 39.815 0.021 . 1 . . . . . 387 ASN CB . 27419 1 140 . 1 1 37 37 ASN N N 15 119.829 0.034 . 1 . . . . . 387 ASN N . 27419 1 141 . 1 1 38 38 GLU H H 1 8.411 0.004 . 1 . . . . . 388 GLU H . 27419 1 142 . 1 1 38 38 GLU CA C 13 57.856 0.011 . 1 . . . . . 388 GLU CA . 27419 1 143 . 1 1 38 38 GLU CB C 13 31.001 0.016 . 1 . . . . . 388 GLU CB . 27419 1 144 . 1 1 38 38 GLU N N 15 121.202 0.012 . 1 . . . . . 388 GLU N . 27419 1 145 . 1 1 39 39 LYS H H 1 8.311 0.003 . 1 . . . . . 389 LYS H . 27419 1 146 . 1 1 39 39 LYS CA C 13 56.864 0.005 . 1 . . . . . 389 LYS CA . 27419 1 147 . 1 1 39 39 LYS CB C 13 33.859 0.006 . 1 . . . . . 389 LYS CB . 27419 1 148 . 1 1 39 39 LYS N N 15 121.941 0.023 . 1 . . . . . 389 LYS N . 27419 1 149 . 1 1 40 40 ALA H H 1 8.286 0.002 . 1 . . . . . 390 ALA H . 27419 1 150 . 1 1 40 40 ALA CA C 13 51.482 0.000 . 1 . . . . . 390 ALA CA . 27419 1 151 . 1 1 40 40 ALA CB C 13 18.937 0.000 . 1 . . . . . 390 ALA CB . 27419 1 152 . 1 1 40 40 ALA N N 15 126.536 0.008 . 1 . . . . . 390 ALA N . 27419 1 153 . 1 1 41 41 PRO CA C 13 63.803 0.013 . 1 . . . . . 391 PRO CA . 27419 1 154 . 1 1 41 41 PRO CB C 13 33.111 0.000 . 1 . . . . . 391 PRO CB . 27419 1 155 . 1 1 42 42 LYS H H 1 8.497 0.004 . 1 . . . . . 392 LYS H . 27419 1 156 . 1 1 42 42 LYS CA C 13 57.437 0.035 . 1 . . . . . 392 LYS CA . 27419 1 157 . 1 1 42 42 LYS CB C 13 33.892 0.039 . 1 . . . . . 392 LYS CB . 27419 1 158 . 1 1 42 42 LYS N N 15 122.338 0.012 . 1 . . . . . 392 LYS N . 27419 1 159 . 1 1 43 43 VAL H H 1 8.296 0.004 . 1 . . . . . 393 VAL H . 27419 1 160 . 1 1 43 43 VAL CA C 13 63.418 0.013 . 1 . . . . . 393 VAL CA . 27419 1 161 . 1 1 43 43 VAL CB C 13 33.900 0.031 . 1 . . . . . 393 VAL CB . 27419 1 162 . 1 1 43 43 VAL N N 15 123.265 0.025 . 1 . . . . . 393 VAL N . 27419 1 163 . 1 1 44 44 VAL H H 1 8.405 0.008 . 1 . . . . . 394 VAL H . 27419 1 164 . 1 1 44 44 VAL N N 15 126.677 0.010 . 1 . . . . . 394 VAL N . 27419 1 165 . 1 1 45 45 ILE H H 1 8.435 0.007 . 1 . . . . . 395 ILE H . 27419 1 166 . 1 1 45 45 ILE N N 15 127.253 0.002 . 1 . . . . . 395 ILE N . 27419 1 167 . 1 1 46 46 LEU H H 1 8.474 0.007 . 1 . . . . . 396 LEU H . 27419 1 168 . 1 1 46 46 LEU N N 15 128.031 0.010 . 1 . . . . . 396 LEU N . 27419 1 169 . 1 1 49 49 ALA H H 1 8.466 0.000 . 1 . . . . . 399 ALA H . 27419 1 170 . 1 1 49 49 ALA N N 15 125.369 0.000 . 1 . . . . . 399 ALA N . 27419 1 stop_ save_