################################### # 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 27422 _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' . . . 27422 1 2 '3D HNCACB' . . . 27422 1 3 '3D CBCA(CO)NH' . . . 27422 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 4 4 VAL CA C 13 63.338 0.012 . 1 . . . . . 354 VAL CA . 27422 1 2 . 1 1 4 4 VAL CB C 13 33.617 0.000 . 1 . . . . . 354 VAL CB . 27422 1 3 . 1 1 5 5 LYS H H 1 8.468 0.001 . 1 . . . . . 355 LYS H . 27422 1 4 . 1 1 5 5 LYS CA C 13 57.067 0.006 . 1 . . . . . 355 LYS CA . 27422 1 5 . 1 1 5 5 LYS CB C 13 33.864 0.031 . 1 . . . . . 355 LYS CB . 27422 1 6 . 1 1 5 5 LYS N N 15 126.329 0.013 . 1 . . . . . 355 LYS N . 27422 1 7 . 1 1 6 6 ARG H H 1 8.493 0.001 . 1 . . . . . 356 ARG H . 27422 1 8 . 1 1 6 6 ARG CA C 13 56.793 0.038 . 1 . . . . . 356 ARG CA . 27422 1 9 . 1 1 6 6 ARG CB C 13 31.714 0.009 . 1 . . . . . 356 ARG CB . 27422 1 10 . 1 1 6 6 ARG N N 15 124.285 0.014 . 1 . . . . . 356 ARG N . 27422 1 11 . 1 1 7 7 ARG H H 1 8.615 0.001 . 1 . . . . . 357 ARG H . 27422 1 12 . 1 1 7 7 ARG CA C 13 57.157 0.066 . 1 . . . . . 357 ARG CA . 27422 1 13 . 1 1 7 7 ARG CB C 13 31.808 0.038 . 1 . . . . . 357 ARG CB . 27422 1 14 . 1 1 7 7 ARG N N 15 124.197 0.015 . 1 . . . . . 357 ARG N . 27422 1 15 . 1 1 8 8 THR H H 1 9.148 0.004 . 1 . . . . . 358 THR H . 27422 1 16 . 1 1 8 8 THR CA C 13 64.020 0.007 . 1 . . . . . 358 THR CA . 27422 1 17 . 1 1 8 8 THR CB C 13 72.886 0.055 . 1 . . . . . 358 THR CB . 27422 1 18 . 1 1 8 8 THR N N 15 119.545 0.022 . 1 . . . . . 358 THR N . 27422 1 19 . 1 1 9 9 HIS H H 1 8.565 0.002 . 1 . . . . . 359 HIS H . 27422 1 20 . 1 1 9 9 HIS CA C 13 57.419 0.039 . 1 . . . . . 359 HIS CA . 27422 1 21 . 1 1 9 9 HIS CB C 13 31.588 0.027 . 1 . . . . . 359 HIS CB . 27422 1 22 . 1 1 9 9 HIS N N 15 122.636 0.037 . 1 . . . . . 359 HIS N . 27422 1 23 . 1 1 10 10 ASN H H 1 8.522 0.006 . 1 . . . . . 360 ASN H . 27422 1 24 . 1 1 10 10 ASN CA C 13 54.412 0.030 . 1 . . . . . 360 ASN CA . 27422 1 25 . 1 1 10 10 ASN CB C 13 39.847 0.056 . 1 . . . . . 360 ASN CB . 27422 1 26 . 1 1 10 10 ASN N N 15 121.041 0.012 . 1 . . . . . 360 ASN N . 27422 1 27 . 1 1 11 11 VAL H H 1 8.279 0.002 . 1 . . . . . 361 VAL H . 27422 1 28 . 1 1 11 11 VAL CA C 13 64.793 0.018 . 1 . . . . . 361 VAL CA . 27422 1 29 . 1 1 11 11 VAL CB C 13 33.238 0.008 . 1 . . . . . 361 VAL CB . 27422 1 30 . 1 1 11 11 VAL N N 15 121.546 0.009 . 1 . . . . . 361 VAL N . 27422 1 31 . 1 1 12 12 LEU H H 1 8.248 0.001 . 1 . . . . . 362 LEU H . 27422 1 32 . 1 1 12 12 LEU CA C 13 57.011 0.007 . 1 . . . . . 362 LEU CA . 27422 1 33 . 1 1 12 12 LEU CB C 13 42.739 0.024 . 1 . . . . . 362 LEU CB . 27422 1 34 . 1 1 12 12 LEU N N 15 123.932 0.014 . 1 . . . . . 362 LEU N . 27422 1 35 . 1 1 13 13 GLU H H 1 8.258 0.004 . 1 . . . . . 363 GLU H . 27422 1 36 . 1 1 13 13 GLU CA C 13 58.382 0.002 . 1 . . . . . 363 GLU CA . 27422 1 37 . 1 1 13 13 GLU CB C 13 30.866 0.079 . 1 . . . . . 363 GLU CB . 27422 1 38 . 1 1 13 13 GLU N N 15 121.306 0.023 . 1 . . . . . 363 GLU N . 27422 1 39 . 1 1 14 14 ARG H H 1 8.249 0.002 . 1 . . . . . 364 ARG H . 27422 1 40 . 1 1 14 14 ARG CA C 13 58.388 0.008 . 1 . . . . . 364 ARG CA . 27422 1 41 . 1 1 14 14 ARG CB C 13 31.152 0.207 . 1 . . . . . 364 ARG CB . 27422 1 42 . 1 1 14 14 ARG N N 15 121.254 0.025 . 1 . . . . . 364 ARG N . 27422 1 43 . 1 1 15 15 GLN H H 1 8.311 0.002 . 1 . . . . . 365 GLN H . 27422 1 44 . 1 1 15 15 GLN CA C 13 57.866 0.040 . 1 . . . . . 365 GLN CA . 27422 1 45 . 1 1 15 15 GLN CB C 13 29.930 0.043 . 1 . . . . . 365 GLN CB . 27422 1 46 . 1 1 15 15 GLN N N 15 120.564 0.009 . 1 . . . . . 365 GLN N . 27422 1 47 . 1 1 16 16 ARG H H 1 8.311 0.002 . 1 . . . . . 366 ARG H . 27422 1 48 . 1 1 16 16 ARG CA C 13 58.013 0.059 . 1 . . . . . 366 ARG CA . 27422 1 49 . 1 1 16 16 ARG CB C 13 31.386 0.042 . 1 . . . . . 366 ARG CB . 27422 1 50 . 1 1 16 16 ARG N N 15 121.805 0.034 . 1 . . . . . 366 ARG N . 27422 1 51 . 1 1 17 17 ARG H H 1 8.311 0.002 . 1 . . . . . 367 ARG H . 27422 1 52 . 1 1 17 17 ARG CA C 13 58.111 0.029 . 1 . . . . . 367 ARG CA . 27422 1 53 . 1 1 17 17 ARG CB C 13 31.311 0.051 . 1 . . . . . 367 ARG CB . 27422 1 54 . 1 1 17 17 ARG N N 15 121.054 0.033 . 1 . . . . . 367 ARG N . 27422 1 55 . 1 1 18 18 ASN H H 1 8.404 0.002 . 1 . . . . . 368 ASN H . 27422 1 56 . 1 1 18 18 ASN CA C 13 54.788 0.033 . 1 . . . . . 368 ASN CA . 27422 1 57 . 1 1 18 18 ASN CB C 13 39.467 0.035 . 1 . . . . . 368 ASN CB . 27422 1 58 . 1 1 18 18 ASN N N 15 119.230 0.013 . 1 . . . . . 368 ASN N . 27422 1 59 . 1 1 19 19 GLU H H 1 8.307 0.002 . 1 . . . . . 369 GLU H . 27422 1 60 . 1 1 19 19 GLU CA C 13 58.011 0.045 . 1 . . . . . 369 GLU CA . 27422 1 61 . 1 1 19 19 GLU CB C 13 31.003 0.081 . 1 . . . . . 369 GLU CB . 27422 1 62 . 1 1 19 19 GLU N N 15 121.003 0.031 . 1 . . . . . 369 GLU N . 27422 1 63 . 1 1 20 20 LEU H H 1 8.062 0.001 . 1 . . . . . 370 LEU H . 27422 1 64 . 1 1 20 20 LEU CA C 13 56.288 0.019 . 1 . . . . . 370 LEU CA . 27422 1 65 . 1 1 20 20 LEU CB C 13 43.096 0.013 . 1 . . . . . 370 LEU CB . 27422 1 66 . 1 1 20 20 LEU N N 15 121.709 0.014 . 1 . . . . . 370 LEU N . 27422 1 67 . 1 1 21 21 LYS H H 1 8.149 0.001 . 1 . . . . . 371 LYS H . 27422 1 68 . 1 1 21 21 LYS CA C 13 57.028 0.013 . 1 . . . . . 371 LYS CA . 27422 1 69 . 1 1 21 21 LYS CB C 13 33.578 0.041 . 1 . . . . . 371 LYS CB . 27422 1 70 . 1 1 21 21 LYS N N 15 121.777 0.015 . 1 . . . . . 371 LYS N . 27422 1 71 . 1 1 22 22 ARG H H 1 8.306 0.001 . 1 . . . . . 372 ARG H . 27422 1 72 . 1 1 22 22 ARG CA C 13 57.161 0.028 . 1 . . . . . 372 ARG CA . 27422 1 73 . 1 1 22 22 ARG CB C 13 31.872 0.005 . 1 . . . . . 372 ARG CB . 27422 1 74 . 1 1 22 22 ARG N N 15 122.792 0.015 . 1 . . . . . 372 ARG N . 27422 1 75 . 1 1 23 23 SER H H 1 9.105 0.004 . 1 . . . . . 373 SER H . 27422 1 76 . 1 1 23 23 SER CA C 13 59.100 0.006 . 1 . . . . . 373 SER CA . 27422 1 77 . 1 1 23 23 SER CB C 13 66.405 0.033 . 1 . . . . . 373 SER CB . 27422 1 78 . 1 1 23 23 SER N N 15 118.288 0.017 . 1 . . . . . 373 SER N . 27422 1 79 . 1 1 24 24 PHE H H 1 8.216 0.001 . 1 . . . . . 374 PHE H . 27422 1 80 . 1 1 24 24 PHE CA C 13 59.486 0.049 . 1 . . . . . 374 PHE CA . 27422 1 81 . 1 1 24 24 PHE CB C 13 40.727 0.017 . 1 . . . . . 374 PHE CB . 27422 1 82 . 1 1 24 24 PHE N N 15 122.023 0.016 . 1 . . . . . 374 PHE N . 27422 1 83 . 1 1 25 25 PHE H H 1 8.115 0.001 . 1 . . . . . 375 PHE H . 27422 1 84 . 1 1 25 25 PHE CA C 13 58.908 0.046 . 1 . . . . . 375 PHE CA . 27422 1 85 . 1 1 25 25 PHE CB C 13 40.507 0.054 . 1 . . . . . 375 PHE CB . 27422 1 86 . 1 1 25 25 PHE N N 15 122.326 0.011 . 1 . . . . . 375 PHE N . 27422 1 87 . 1 1 26 26 ALA H H 1 8.112 0.002 . 1 . . . . . 376 ALA H . 27422 1 88 . 1 1 26 26 ALA CA C 13 53.662 0.013 . 1 . . . . . 376 ALA CA . 27422 1 89 . 1 1 26 26 ALA CB C 13 20.169 0.001 . 1 . . . . . 376 ALA CB . 27422 1 90 . 1 1 26 26 ALA N N 15 125.480 0.010 . 1 . . . . . 376 ALA N . 27422 1 91 . 1 1 27 27 LEU H H 1 8.055 0.001 . 1 . . . . . 377 LEU H . 27422 1 92 . 1 1 27 27 LEU CA C 13 56.413 0.017 . 1 . . . . . 377 LEU CA . 27422 1 93 . 1 1 27 27 LEU CB C 13 42.965 0.014 . 1 . . . . . 377 LEU CB . 27422 1 94 . 1 1 27 27 LEU N N 15 120.672 0.024 . 1 . . . . . 377 LEU N . 27422 1 95 . 1 1 28 28 ARG H H 1 8.152 0.003 . 1 . . . . . 378 ARG H . 27422 1 96 . 1 1 28 28 ARG CA C 13 57.410 0.003 . 1 . . . . . 378 ARG CA . 27422 1 97 . 1 1 28 28 ARG CB C 13 31.719 0.000 . 1 . . . . . 378 ARG CB . 27422 1 98 . 1 1 28 28 ARG N N 15 121.078 0.011 . 1 . . . . . 378 ARG N . 27422 1 99 . 1 1 29 29 ASP H H 1 8.307 0.001 . 1 . . . . . 379 ASP H . 27422 1 100 . 1 1 29 29 ASP CA C 13 55.534 0.006 . 1 . . . . . 379 ASP CA . 27422 1 101 . 1 1 29 29 ASP CB C 13 41.906 0.004 . 1 . . . . . 379 ASP CB . 27422 1 102 . 1 1 29 29 ASP N N 15 120.291 0.018 . 1 . . . . . 379 ASP N . 27422 1 103 . 1 1 30 30 GLN H H 1 8.183 0.001 . 1 . . . . . 380 GLN H . 27422 1 104 . 1 1 30 30 GLN CA C 13 56.467 0.014 . 1 . . . . . 380 GLN CA . 27422 1 105 . 1 1 30 30 GLN CB C 13 30.472 0.026 . 1 . . . . . 380 GLN CB . 27422 1 106 . 1 1 30 30 GLN N N 15 119.964 0.009 . 1 . . . . . 380 GLN N . 27422 1 107 . 1 1 31 31 ILE H H 1 8.341 0.002 . 1 . . . . . 381 ILE H . 27422 1 108 . 1 1 31 31 ILE CA C 13 59.896 0.000 . 1 . . . . . 381 ILE CA . 27422 1 109 . 1 1 31 31 ILE CB C 13 39.178 0.000 . 1 . . . . . 381 ILE CB . 27422 1 110 . 1 1 31 31 ILE N N 15 124.628 0.011 . 1 . . . . . 381 ILE N . 27422 1 111 . 1 1 32 32 PRO CA C 13 64.255 0.000 . 1 . . . . . 382 PRO CA . 27422 1 112 . 1 1 32 32 PRO CB C 13 33.129 0.013 . 1 . . . . . 382 PRO CB . 27422 1 113 . 1 1 33 33 GLU H H 1 8.576 0.001 . 1 . . . . . 383 GLU H . 27422 1 114 . 1 1 33 33 GLU CA C 13 57.529 0.005 . 1 . . . . . 383 GLU CA . 27422 1 115 . 1 1 33 33 GLU CB C 13 31.119 0.009 . 1 . . . . . 383 GLU CB . 27422 1 116 . 1 1 33 33 GLU N N 15 121.524 0.017 . 1 . . . . . 383 GLU N . 27422 1 117 . 1 1 34 34 LEU H H 1 8.352 0.002 . 1 . . . . . 384 LEU H . 27422 1 118 . 1 1 34 34 LEU CA C 13 56.072 0.008 . 1 . . . . . 384 LEU CA . 27422 1 119 . 1 1 34 34 LEU CB C 13 43.303 0.012 . 1 . . . . . 384 LEU CB . 27422 1 120 . 1 1 34 34 LEU N N 15 123.441 0.013 . 1 . . . . . 384 LEU N . 27422 1 121 . 1 1 35 35 GLU H H 1 8.482 0.002 . 1 . . . . . 385 GLU H . 27422 1 122 . 1 1 35 35 GLU CA C 13 57.464 0.010 . 1 . . . . . 385 GLU CA . 27422 1 123 . 1 1 35 35 GLU CB C 13 31.222 0.014 . 1 . . . . . 385 GLU CB . 27422 1 124 . 1 1 35 35 GLU N N 15 121.898 0.011 . 1 . . . . . 385 GLU N . 27422 1 125 . 1 1 36 36 ASN H H 1 8.560 0.002 . 1 . . . . . 386 ASN H . 27422 1 126 . 1 1 36 36 ASN CA C 13 54.213 0.021 . 1 . . . . . 386 ASN CA . 27422 1 127 . 1 1 36 36 ASN CB C 13 39.753 0.009 . 1 . . . . . 386 ASN CB . 27422 1 128 . 1 1 36 36 ASN N N 15 119.980 0.030 . 1 . . . . . 386 ASN N . 27422 1 129 . 1 1 37 37 ASN H H 1 8.559 0.001 . 1 . . . . . 387 ASN H . 27422 1 130 . 1 1 37 37 ASN CA C 13 54.261 0.021 . 1 . . . . . 387 ASN CA . 27422 1 131 . 1 1 37 37 ASN CB C 13 39.810 0.047 . 1 . . . . . 387 ASN CB . 27422 1 132 . 1 1 37 37 ASN N N 15 119.912 0.059 . 1 . . . . . 387 ASN N . 27422 1 133 . 1 1 38 38 GLU H H 1 8.406 0.002 . 1 . . . . . 388 GLU H . 27422 1 134 . 1 1 38 38 GLU CA C 13 57.771 0.009 . 1 . . . . . 388 GLU CA . 27422 1 135 . 1 1 38 38 GLU CB C 13 30.981 0.005 . 1 . . . . . 388 GLU CB . 27422 1 136 . 1 1 38 38 GLU N N 15 121.242 0.015 . 1 . . . . . 388 GLU N . 27422 1 137 . 1 1 39 39 LYS H H 1 8.310 0.002 . 1 . . . . . 389 LYS H . 27422 1 138 . 1 1 39 39 LYS CA C 13 56.837 0.027 . 1 . . . . . 389 LYS CA . 27422 1 139 . 1 1 39 39 LYS CB C 13 33.892 0.028 . 1 . . . . . 389 LYS CB . 27422 1 140 . 1 1 39 39 LYS N N 15 122.023 0.012 . 1 . . . . . 389 LYS N . 27422 1 141 . 1 1 40 40 ALA H H 1 8.287 0.002 . 1 . . . . . 390 ALA H . 27422 1 142 . 1 1 40 40 ALA CA C 13 51.457 0.000 . 1 . . . . . 390 ALA CA . 27422 1 143 . 1 1 40 40 ALA CB C 13 18.944 0.000 . 1 . . . . . 390 ALA CB . 27422 1 144 . 1 1 40 40 ALA N N 15 126.596 0.014 . 1 . . . . . 390 ALA N . 27422 1 145 . 1 1 41 41 PRO CA C 13 63.756 0.008 . 1 . . . . . 391 PRO CA . 27422 1 146 . 1 1 41 41 PRO CB C 13 33.062 0.000 . 1 . . . . . 391 PRO CB . 27422 1 147 . 1 1 42 42 LYS H H 1 8.491 0.001 . 1 . . . . . 392 LYS H . 27422 1 148 . 1 1 42 42 LYS CA C 13 57.303 0.011 . 1 . . . . . 392 LYS CA . 27422 1 149 . 1 1 42 42 LYS CB C 13 33.866 0.046 . 1 . . . . . 392 LYS CB . 27422 1 150 . 1 1 42 42 LYS N N 15 122.403 0.010 . 1 . . . . . 392 LYS N . 27422 1 151 . 1 1 43 43 VAL H H 1 8.302 0.002 . 1 . . . . . 393 VAL H . 27422 1 152 . 1 1 43 43 VAL CA C 13 63.354 0.001 . 1 . . . . . 393 VAL CA . 27422 1 153 . 1 1 43 43 VAL CB C 13 33.763 0.053 . 1 . . . . . 393 VAL CB . 27422 1 154 . 1 1 43 43 VAL N N 15 123.460 0.012 . 1 . . . . . 393 VAL N . 27422 1 155 . 1 1 44 44 VAL H H 1 8.424 0.002 . 1 . . . . . 394 VAL H . 27422 1 156 . 1 1 44 44 VAL CA C 13 63.303 0.016 . 1 . . . . . 394 VAL CA . 27422 1 157 . 1 1 44 44 VAL CB C 13 33.843 0.073 . 1 . . . . . 394 VAL CB . 27422 1 158 . 1 1 44 44 VAL N N 15 126.859 0.006 . 1 . . . . . 394 VAL N . 27422 1 159 . 1 1 45 45 ILE H H 1 8.456 0.003 . 1 . . . . . 395 ILE H . 27422 1 160 . 1 1 45 45 ILE CA C 13 61.604 0.026 . 1 . . . . . 395 ILE CA . 27422 1 161 . 1 1 45 45 ILE CB C 13 39.209 0.080 . 1 . . . . . 395 ILE CB . 27422 1 162 . 1 1 45 45 ILE N N 15 127.480 0.009 . 1 . . . . . 395 ILE N . 27422 1 163 . 1 1 46 46 LEU H H 1 8.481 0.003 . 1 . . . . . 396 LEU H . 27422 1 164 . 1 1 46 46 LEU CA C 13 55.835 0.009 . 1 . . . . . 396 LEU CA . 27422 1 165 . 1 1 46 46 LEU CB C 13 43.248 0.014 . 1 . . . . . 396 LEU CB . 27422 1 166 . 1 1 46 46 LEU N N 15 128.310 0.034 . 1 . . . . . 396 LEU N . 27422 1 167 . 1 1 47 47 LYS H H 1 8.405 0.003 . 1 . . . . . 397 LYS H . 27422 1 168 . 1 1 47 47 LYS CA C 13 57.246 0.014 . 1 . . . . . 397 LYS CA . 27422 1 169 . 1 1 47 47 LYS CB C 13 34.060 0.065 . 1 . . . . . 397 LYS CB . 27422 1 170 . 1 1 47 47 LYS N N 15 123.595 0.017 . 1 . . . . . 397 LYS N . 27422 1 171 . 1 1 48 48 LYS H H 1 8.411 0.005 . 1 . . . . . 398 LYS H . 27422 1 172 . 1 1 48 48 LYS CA C 13 57.259 0.000 . 1 . . . . . 398 LYS CA . 27422 1 173 . 1 1 48 48 LYS CB C 13 33.995 0.000 . 1 . . . . . 398 LYS CB . 27422 1 174 . 1 1 48 48 LYS N N 15 123.614 0.029 . 1 . . . . . 398 LYS N . 27422 1 175 . 1 1 49 49 ALA H H 1 8.497 0.003 . 1 . . . . . 399 ALA H . 27422 1 176 . 1 1 49 49 ALA N N 15 125.975 0.013 . 1 . . . . . 399 ALA N . 27422 1 177 . 1 1 50 50 THR H H 1 8.112 0.000 . 1 . . . . . 400 THR H . 27422 1 178 . 1 1 50 50 THR N N 15 114.244 0.000 . 1 . . . . . 400 THR N . 27422 1 179 . 1 1 55 55 SER H H 1 8.272 0.000 . 1 . . . . . 405 SER H . 27422 1 180 . 1 1 55 55 SER N N 15 117.634 0.000 . 1 . . . . . 405 SER N . 27422 1 stop_ save_