################################### # 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 50193 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name VPg _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' . . . 50193 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 . 2 . 2 3 3 MET C C 13 176.068 0.000 . 1 . . . . . 325 MET C . 50193 1 2 . 2 . 2 3 3 MET CA C 13 55.056 0.032 . 1 . . . . . 325 MET CA . 50193 1 3 . 2 . 2 4 4 THR H H 1 8.145 0.002 . 1 . . . . . 326 THR H . 50193 1 4 . 2 . 2 4 4 THR C C 13 172.732 0.000 . 1 . . . . . 326 THR C . 50193 1 5 . 2 . 2 4 4 THR CA C 13 61.547 0.061 . 1 . . . . . 326 THR CA . 50193 1 6 . 2 . 2 4 4 THR CB C 13 69.307 0.013 . 1 . . . . . 326 THR CB . 50193 1 7 . 2 . 2 4 4 THR N N 15 117.831 0.055 . 1 . . . . . 326 THR N . 50193 1 8 . 2 . 2 5 5 LEU H H 1 7.955 0.006 . 1 . . . . . 327 LEU H . 50193 1 9 . 2 . 2 5 5 LEU CA C 13 51.679 0.000 . 1 . . . . . 327 LEU CA . 50193 1 10 . 2 . 2 5 5 LEU CB C 13 42.603 0.000 . 1 . . . . . 327 LEU CB . 50193 1 11 . 2 . 2 5 5 LEU N N 15 124.417 0.026 . 1 . . . . . 327 LEU N . 50193 1 12 . 2 . 2 7 7 PRO C C 13 177.583 0.000 . 1 . . . . . 329 PRO C . 50193 1 13 . 2 . 2 7 7 PRO CA C 13 63.369 0.000 . 1 . . . . . 329 PRO CA . 50193 1 14 . 2 . 2 7 7 PRO CB C 13 31.001 0.000 . 1 . . . . . 329 PRO CB . 50193 1 15 . 2 . 2 8 8 GLU H H 1 8.741 0.014 . 1 . . . . . 330 GLU H . 50193 1 16 . 2 . 2 8 8 GLU CA C 13 56.920 0.000 . 1 . . . . . 330 GLU CA . 50193 1 17 . 2 . 2 8 8 GLU CB C 13 28.762 0.056 . 1 . . . . . 330 GLU CB . 50193 1 18 . 2 . 2 8 8 GLU N N 15 119.710 0.086 . 1 . . . . . 330 GLU N . 50193 1 19 . 2 . 2 9 9 LEU C C 13 176.661 0.000 . 1 . . . . . 331 LEU C . 50193 1 20 . 2 . 2 9 9 LEU CA C 13 53.975 0.035 . 1 . . . . . 331 LEU CA . 50193 1 21 . 2 . 2 9 9 LEU CB C 13 41.986 0.007 . 1 . . . . . 331 LEU CB . 50193 1 22 . 2 . 2 10 10 SER H H 1 7.748 0.011 . 1 . . . . . 332 SER H . 50193 1 23 . 2 . 2 10 10 SER CA C 13 58.179 0.020 . 1 . . . . . 332 SER CA . 50193 1 24 . 2 . 2 10 10 SER CB C 13 63.069 0.059 . 1 . . . . . 332 SER CB . 50193 1 25 . 2 . 2 10 10 SER N N 15 116.907 0.102 . 1 . . . . . 332 SER N . 50193 1 26 . 2 . 2 11 11 ILE HD11 H 1 0.791 0.010 . 1 . . . . . 333 ILE HD11 . 50193 1 27 . 2 . 2 11 11 ILE HD12 H 1 0.791 0.010 . 1 . . . . . 333 ILE HD12 . 50193 1 28 . 2 . 2 11 11 ILE HD13 H 1 0.791 0.010 . 1 . . . . . 333 ILE HD13 . 50193 1 29 . 2 . 2 11 11 ILE C C 13 174.872 0.000 . 1 . . . . . 333 ILE C . 50193 1 30 . 2 . 2 11 11 ILE CA C 13 57.364 0.000 . 1 . . . . . 333 ILE CA . 50193 1 31 . 2 . 2 11 11 ILE CD1 C 13 12.634 0.074 . 1 . . . . . 333 ILE CD1 . 50193 1 32 . 2 . 2 12 12 ILE H H 1 7.534 0.009 . 1 . . . . . 334 ILE H . 50193 1 33 . 2 . 2 12 12 ILE HD11 H 1 0.797 0.004 . 1 . . . . . 334 ILE HD11 . 50193 1 34 . 2 . 2 12 12 ILE HD12 H 1 0.797 0.004 . 1 . . . . . 334 ILE HD12 . 50193 1 35 . 2 . 2 12 12 ILE HD13 H 1 0.797 0.004 . 1 . . . . . 334 ILE HD13 . 50193 1 36 . 2 . 2 12 12 ILE C C 13 173.674 0.000 . 1 . . . . . 334 ILE C . 50193 1 37 . 2 . 2 12 12 ILE CA C 13 58.970 0.022 . 1 . . . . . 334 ILE CA . 50193 1 38 . 2 . 2 12 12 ILE CB C 13 40.019 0.096 . 1 . . . . . 334 ILE CB . 50193 1 39 . 2 . 2 12 12 ILE CD1 C 13 14.215 0.037 . 1 . . . . . 334 ILE CD1 . 50193 1 40 . 2 . 2 12 12 ILE N N 15 123.750 0.078 . 1 . . . . . 334 ILE N . 50193 1 41 . 2 . 2 13 13 GLU H H 1 8.001 0.006 . 1 . . . . . 335 GLU H . 50193 1 42 . 2 . 2 13 13 GLU C C 13 176.416 0.000 . 1 . . . . . 335 GLU C . 50193 1 43 . 2 . 2 13 13 GLU CA C 13 53.966 0.010 . 1 . . . . . 335 GLU CA . 50193 1 44 . 2 . 2 13 13 GLU CB C 13 28.591 0.035 . 1 . . . . . 335 GLU CB . 50193 1 45 . 2 . 2 13 13 GLU N N 15 126.266 0.101 . 1 . . . . . 335 GLU N . 50193 1 46 . 2 . 2 14 14 ILE H H 1 8.616 0.008 . 1 . . . . . 336 ILE H . 50193 1 47 . 2 . 2 14 14 ILE HD11 H 1 0.751 0.009 . 1 . . . . . 336 ILE HD11 . 50193 1 48 . 2 . 2 14 14 ILE HD12 H 1 0.751 0.009 . 1 . . . . . 336 ILE HD12 . 50193 1 49 . 2 . 2 14 14 ILE HD13 H 1 0.751 0.009 . 1 . . . . . 336 ILE HD13 . 50193 1 50 . 2 . 2 14 14 ILE CA C 13 57.449 0.000 . 1 . . . . . 336 ILE CA . 50193 1 51 . 2 . 2 14 14 ILE CB C 13 37.630 0.000 . 1 . . . . . 336 ILE CB . 50193 1 52 . 2 . 2 14 14 ILE CD1 C 13 12.592 0.028 . 1 . . . . . 336 ILE CD1 . 50193 1 53 . 2 . 2 14 14 ILE N N 15 123.976 0.129 . 1 . . . . . 336 ILE N . 50193 1 54 . 2 . 2 15 15 PRO C C 13 178.407 0.000 . 1 . . . . . 337 PRO C . 50193 1 55 . 2 . 2 15 15 PRO CA C 13 61.793 0.002 . 1 . . . . . 337 PRO CA . 50193 1 56 . 2 . 2 15 15 PRO CB C 13 31.254 0.032 . 1 . . . . . 337 PRO CB . 50193 1 57 . 2 . 2 16 16 PHE H H 1 8.778 0.007 . 1 . . . . . 338 PHE H . 50193 1 58 . 2 . 2 16 16 PHE C C 13 177.853 0.000 . 1 . . . . . 338 PHE C . 50193 1 59 . 2 . 2 16 16 PHE CA C 13 61.197 0.054 . 1 . . . . . 338 PHE CA . 50193 1 60 . 2 . 2 16 16 PHE CB C 13 37.932 0.000 . 1 . . . . . 338 PHE CB . 50193 1 61 . 2 . 2 16 16 PHE N N 15 124.671 0.128 . 1 . . . . . 338 PHE N . 50193 1 62 . 2 . 2 17 17 ASP H H 1 8.661 0.019 . 1 . . . . . 339 ASP H . 50193 1 63 . 2 . 2 17 17 ASP C C 13 176.374 0.000 . 1 . . . . . 339 ASP C . 50193 1 64 . 2 . 2 17 17 ASP CA C 13 55.864 0.011 . 1 . . . . . 339 ASP CA . 50193 1 65 . 2 . 2 17 17 ASP CB C 13 39.532 0.000 . 1 . . . . . 339 ASP CB . 50193 1 66 . 2 . 2 17 17 ASP N N 15 116.457 0.130 . 1 . . . . . 339 ASP N . 50193 1 67 . 2 . 2 18 18 ASP H H 1 7.413 0.015 . 1 . . . . . 340 ASP H . 50193 1 68 . 2 . 2 18 18 ASP C C 13 178.894 0.000 . 1 . . . . . 340 ASP C . 50193 1 69 . 2 . 2 18 18 ASP CA C 13 54.593 0.021 . 1 . . . . . 340 ASP CA . 50193 1 70 . 2 . 2 18 18 ASP CB C 13 39.976 0.000 . 1 . . . . . 340 ASP CB . 50193 1 71 . 2 . 2 18 18 ASP N N 15 117.048 0.122 . 1 . . . . . 340 ASP N . 50193 1 72 . 2 . 2 19 19 VAL H H 1 7.301 0.013 . 1 . . . . . 341 VAL H . 50193 1 73 . 2 . 2 19 19 VAL HG11 H 1 -0.243 0.014 . 2 . . . . . 341 VAL HG11 . 50193 1 74 . 2 . 2 19 19 VAL HG12 H 1 -0.243 0.014 . 2 . . . . . 341 VAL HG12 . 50193 1 75 . 2 . 2 19 19 VAL HG13 H 1 -0.243 0.014 . 2 . . . . . 341 VAL HG13 . 50193 1 76 . 2 . 2 19 19 VAL HG21 H 1 0.884 0.009 . 2 . . . . . 341 VAL HG21 . 50193 1 77 . 2 . 2 19 19 VAL HG22 H 1 0.884 0.009 . 2 . . . . . 341 VAL HG22 . 50193 1 78 . 2 . 2 19 19 VAL HG23 H 1 0.884 0.009 . 2 . . . . . 341 VAL HG23 . 50193 1 79 . 2 . 2 19 19 VAL C C 13 178.290 0.000 . 1 . . . . . 341 VAL C . 50193 1 80 . 2 . 2 19 19 VAL CA C 13 65.799 0.032 . 1 . . . . . 341 VAL CA . 50193 1 81 . 2 . 2 19 19 VAL CB C 13 29.104 0.000 . 1 . . . . . 341 VAL CB . 50193 1 82 . 2 . 2 19 19 VAL CG1 C 13 22.404 0.009 . 2 . . . . . 341 VAL CG1 . 50193 1 83 . 2 . 2 19 19 VAL CG2 C 13 20.939 0.000 . 2 . . . . . 341 VAL CG2 . 50193 1 84 . 2 . 2 19 19 VAL N N 15 123.220 0.113 . 1 . . . . . 341 VAL N . 50193 1 85 . 2 . 2 20 20 GLU H H 1 7.491 0.014 . 1 . . . . . 342 GLU H . 50193 1 86 . 2 . 2 20 20 GLU C C 13 176.271 0.000 . 1 . . . . . 342 GLU C . 50193 1 87 . 2 . 2 20 20 GLU CA C 13 57.336 0.010 . 1 . . . . . 342 GLU CA . 50193 1 88 . 2 . 2 20 20 GLU CB C 13 28.055 0.000 . 1 . . . . . 342 GLU CB . 50193 1 89 . 2 . 2 20 20 GLU N N 15 116.147 0.141 . 1 . . . . . 342 GLU N . 50193 1 90 . 2 . 2 21 21 THR H H 1 7.145 0.017 . 1 . . . . . 343 THR H . 50193 1 91 . 2 . 2 21 21 THR C C 13 175.556 0.000 . 1 . . . . . 343 THR C . 50193 1 92 . 2 . 2 21 21 THR CA C 13 61.767 0.020 . 1 . . . . . 343 THR CA . 50193 1 93 . 2 . 2 21 21 THR CB C 13 68.865 0.000 . 1 . . . . . 343 THR CB . 50193 1 94 . 2 . 2 21 21 THR N N 15 108.455 0.111 . 1 . . . . . 343 THR N . 50193 1 95 . 2 . 2 22 22 ARG H H 1 7.154 0.013 . 1 . . . . . 344 ARG H . 50193 1 96 . 2 . 2 22 22 ARG CA C 13 54.543 0.000 . 1 . . . . . 344 ARG CA . 50193 1 97 . 2 . 2 22 22 ARG CB C 13 30.026 0.000 . 1 . . . . . 344 ARG CB . 50193 1 98 . 2 . 2 22 22 ARG N N 15 121.826 0.127 . 1 . . . . . 344 ARG N . 50193 1 99 . 2 . 2 23 23 SER H H 1 8.557 0.000 . 1 . . . . . 345 SER H . 50193 1 100 . 2 . 2 23 23 SER C C 13 173.078 0.000 . 1 . . . . . 345 SER C . 50193 1 101 . 2 . 2 23 23 SER CA C 13 58.837 0.000 . 1 . . . . . 345 SER CA . 50193 1 102 . 2 . 2 23 23 SER N N 15 114.549 0.000 . 1 . . . . . 345 SER N . 50193 1 103 . 2 . 2 24 24 TYR H H 1 6.973 0.012 . 1 . . . . . 346 TYR H . 50193 1 104 . 2 . 2 24 24 TYR C C 13 173.255 0.000 . 1 . . . . . 346 TYR C . 50193 1 105 . 2 . 2 24 24 TYR CA C 13 54.881 0.038 . 1 . . . . . 346 TYR CA . 50193 1 106 . 2 . 2 24 24 TYR CB C 13 39.025 0.000 . 1 . . . . . 346 TYR CB . 50193 1 107 . 2 . 2 24 24 TYR N N 15 117.382 0.110 . 1 . . . . . 346 TYR N . 50193 1 108 . 2 . 2 25 25 GLU H H 1 8.457 0.016 . 1 . . . . . 347 GLU H . 50193 1 109 . 2 . 2 25 25 GLU N N 15 121.144 0.118 . 1 . . . . . 347 GLU N . 50193 1 110 . 2 . 2 26 26 PHE H H 1 8.200 0.001 . 1 . . . . . 348 PHE H . 50193 1 111 . 2 . 2 26 26 PHE C C 13 175.944 0.000 . 1 . . . . . 348 PHE C . 50193 1 112 . 2 . 2 26 26 PHE CA C 13 56.182 0.037 . 1 . . . . . 348 PHE CA . 50193 1 113 . 2 . 2 26 26 PHE N N 15 121.268 0.000 . 1 . . . . . 348 PHE N . 50193 1 114 . 2 . 2 27 27 ILE H H 1 9.163 0.012 . 1 . . . . . 349 ILE H . 50193 1 115 . 2 . 2 27 27 ILE HD11 H 1 0.528 0.013 . 1 . . . . . 349 ILE HD11 . 50193 1 116 . 2 . 2 27 27 ILE HD12 H 1 0.528 0.013 . 1 . . . . . 349 ILE HD12 . 50193 1 117 . 2 . 2 27 27 ILE HD13 H 1 0.528 0.013 . 1 . . . . . 349 ILE HD13 . 50193 1 118 . 2 . 2 27 27 ILE C C 13 175.765 0.000 . 1 . . . . . 349 ILE C . 50193 1 119 . 2 . 2 27 27 ILE CA C 13 59.880 0.003 . 1 . . . . . 349 ILE CA . 50193 1 120 . 2 . 2 27 27 ILE CB C 13 38.941 0.000 . 1 . . . . . 349 ILE CB . 50193 1 121 . 2 . 2 27 27 ILE CD1 C 13 17.774 0.024 . 1 . . . . . 349 ILE CD1 . 50193 1 122 . 2 . 2 27 27 ILE N N 15 122.055 0.088 . 1 . . . . . 349 ILE N . 50193 1 123 . 2 . 2 28 28 GLU H H 1 8.830 0.011 . 1 . . . . . 350 GLU H . 50193 1 124 . 2 . 2 28 28 GLU C C 13 175.429 0.000 . 1 . . . . . 350 GLU C . 50193 1 125 . 2 . 2 28 28 GLU CA C 13 55.785 0.019 . 1 . . . . . 350 GLU CA . 50193 1 126 . 2 . 2 28 28 GLU CB C 13 29.873 0.091 . 1 . . . . . 350 GLU CB . 50193 1 127 . 2 . 2 28 28 GLU N N 15 129.962 0.129 . 1 . . . . . 350 GLU N . 50193 1 128 . 2 . 2 29 29 VAL H H 1 8.925 0.013 . 1 . . . . . 351 VAL H . 50193 1 129 . 2 . 2 29 29 VAL HG11 H 1 0.377 0.003 . 2 . . . . . 351 VAL HG11 . 50193 1 130 . 2 . 2 29 29 VAL HG12 H 1 0.377 0.003 . 2 . . . . . 351 VAL HG12 . 50193 1 131 . 2 . 2 29 29 VAL HG13 H 1 0.377 0.003 . 2 . . . . . 351 VAL HG13 . 50193 1 132 . 2 . 2 29 29 VAL HG21 H 1 0.645 0.015 . 2 . . . . . 351 VAL HG21 . 50193 1 133 . 2 . 2 29 29 VAL HG22 H 1 0.645 0.015 . 2 . . . . . 351 VAL HG22 . 50193 1 134 . 2 . 2 29 29 VAL HG23 H 1 0.645 0.015 . 2 . . . . . 351 VAL HG23 . 50193 1 135 . 2 . 2 29 29 VAL C C 13 173.976 0.000 . 1 . . . . . 351 VAL C . 50193 1 136 . 2 . 2 29 29 VAL CA C 13 58.285 0.012 . 1 . . . . . 351 VAL CA . 50193 1 137 . 2 . 2 29 29 VAL CB C 13 34.990 0.000 . 1 . . . . . 351 VAL CB . 50193 1 138 . 2 . 2 29 29 VAL CG1 C 13 23.167 0.051 . 2 . . . . . 351 VAL CG1 . 50193 1 139 . 2 . 2 29 29 VAL CG2 C 13 20.664 0.067 . 2 . . . . . 351 VAL CG2 . 50193 1 140 . 2 . 2 29 29 VAL N N 15 118.972 0.130 . 1 . . . . . 351 VAL N . 50193 1 141 . 2 . 2 30 30 GLU H H 1 9.585 0.015 . 1 . . . . . 352 GLU H . 50193 1 142 . 2 . 2 30 30 GLU C C 13 175.313 0.000 . 1 . . . . . 352 GLU C . 50193 1 143 . 2 . 2 30 30 GLU CA C 13 55.505 0.018 . 1 . . . . . 352 GLU CA . 50193 1 144 . 2 . 2 30 30 GLU CB C 13 31.042 0.000 . 1 . . . . . 352 GLU CB . 50193 1 145 . 2 . 2 30 30 GLU N N 15 123.103 0.104 . 1 . . . . . 352 GLU N . 50193 1 146 . 2 . 2 31 31 ILE H H 1 8.896 0.008 . 1 . . . . . 353 ILE H . 50193 1 147 . 2 . 2 31 31 ILE HD11 H 1 0.443 0.013 . 1 . . . . . 353 ILE HD11 . 50193 1 148 . 2 . 2 31 31 ILE HD12 H 1 0.443 0.013 . 1 . . . . . 353 ILE HD12 . 50193 1 149 . 2 . 2 31 31 ILE HD13 H 1 0.443 0.013 . 1 . . . . . 353 ILE HD13 . 50193 1 150 . 2 . 2 31 31 ILE C C 13 176.854 0.000 . 1 . . . . . 353 ILE C . 50193 1 151 . 2 . 2 31 31 ILE CA C 13 58.523 0.016 . 1 . . . . . 353 ILE CA . 50193 1 152 . 2 . 2 31 31 ILE CB C 13 37.924 0.000 . 1 . . . . . 353 ILE CB . 50193 1 153 . 2 . 2 31 31 ILE CD1 C 13 12.468 0.028 . 1 . . . . . 353 ILE CD1 . 50193 1 154 . 2 . 2 31 31 ILE N N 15 128.937 0.105 . 1 . . . . . 353 ILE N . 50193 1 155 . 2 . 2 32 32 LYS H H 1 8.999 0.011 . 1 . . . . . 354 LYS H . 50193 1 156 . 2 . 2 32 32 LYS C C 13 176.934 0.033 . 1 . . . . . 354 LYS C . 50193 1 157 . 2 . 2 32 32 LYS CA C 13 58.048 0.002 . 1 . . . . . 354 LYS CA . 50193 1 158 . 2 . 2 32 32 LYS CB C 13 30.191 0.000 . 1 . . . . . 354 LYS CB . 50193 1 159 . 2 . 2 32 32 LYS N N 15 132.884 0.091 . 1 . . . . . 354 LYS N . 50193 1 160 . 2 . 2 33 33 GLY H H 1 8.502 0.020 . 1 . . . . . 355 GLY H . 50193 1 161 . 2 . 2 33 33 GLY C C 13 174.806 0.000 . 1 . . . . . 355 GLY C . 50193 1 162 . 2 . 2 33 33 GLY CA C 13 44.332 0.025 . 1 . . . . . 355 GLY CA . 50193 1 163 . 2 . 2 33 33 GLY N N 15 112.665 0.124 . 1 . . . . . 355 GLY N . 50193 1 164 . 2 . 2 34 34 ARG H H 1 8.256 0.017 . 1 . . . . . 356 ARG H . 50193 1 165 . 2 . 2 34 34 ARG C C 13 174.713 0.000 . 1 . . . . . 356 ARG C . 50193 1 166 . 2 . 2 34 34 ARG CA C 13 55.413 0.046 . 1 . . . . . 356 ARG CA . 50193 1 167 . 2 . 2 34 34 ARG CB C 13 32.587 0.000 . 1 . . . . . 356 ARG CB . 50193 1 168 . 2 . 2 34 34 ARG N N 15 118.962 0.077 . 1 . . . . . 356 ARG N . 50193 1 169 . 2 . 2 35 35 GLY H H 1 8.736 0.014 . 1 . . . . . 357 GLY H . 50193 1 170 . 2 . 2 35 35 GLY C C 13 171.885 0.000 . 1 . . . . . 357 GLY C . 50193 1 171 . 2 . 2 35 35 GLY CA C 13 44.710 0.062 . 1 . . . . . 357 GLY CA . 50193 1 172 . 2 . 2 35 35 GLY N N 15 107.673 0.091 . 1 . . . . . 357 GLY N . 50193 1 173 . 2 . 2 36 36 LYS H H 1 8.901 0.013 . 1 . . . . . 358 LYS H . 50193 1 174 . 2 . 2 36 36 LYS C C 13 175.205 0.000 . 1 . . . . . 358 LYS C . 50193 1 175 . 2 . 2 36 36 LYS CA C 13 55.373 0.040 . 1 . . . . . 358 LYS CA . 50193 1 176 . 2 . 2 36 36 LYS CB C 13 34.600 0.070 . 1 . . . . . 358 LYS CB . 50193 1 177 . 2 . 2 36 36 LYS N N 15 120.546 0.107 . 1 . . . . . 358 LYS N . 50193 1 178 . 2 . 2 37 37 ALA H H 1 8.816 0.012 . 1 . . . . . 359 ALA H . 50193 1 179 . 2 . 2 37 37 ALA C C 13 175.427 0.000 . 1 . . . . . 359 ALA C . 50193 1 180 . 2 . 2 37 37 ALA CA C 13 50.064 0.084 . 1 . . . . . 359 ALA CA . 50193 1 181 . 2 . 2 37 37 ALA CB C 13 21.705 0.000 . 1 . . . . . 359 ALA CB . 50193 1 182 . 2 . 2 37 37 ALA N N 15 123.146 0.123 . 1 . . . . . 359 ALA N . 50193 1 183 . 2 . 2 38 38 LYS H H 1 9.145 0.011 . 1 . . . . . 360 LYS H . 50193 1 184 . 2 . 2 38 38 LYS C C 13 175.293 0.000 . 1 . . . . . 360 LYS C . 50193 1 185 . 2 . 2 38 38 LYS CA C 13 53.244 0.021 . 1 . . . . . 360 LYS CA . 50193 1 186 . 2 . 2 38 38 LYS CB C 13 33.823 0.000 . 1 . . . . . 360 LYS CB . 50193 1 187 . 2 . 2 38 38 LYS N N 15 118.069 0.079 . 1 . . . . . 360 LYS N . 50193 1 188 . 2 . 2 39 39 LEU H H 1 9.773 0.013 . 1 . . . . . 361 LEU H . 50193 1 189 . 2 . 2 39 39 LEU HD11 H 1 -0.110 0.013 . 2 . . . . . 361 LEU HD11 . 50193 1 190 . 2 . 2 39 39 LEU HD12 H 1 -0.110 0.013 . 2 . . . . . 361 LEU HD12 . 50193 1 191 . 2 . 2 39 39 LEU HD13 H 1 -0.110 0.013 . 2 . . . . . 361 LEU HD13 . 50193 1 192 . 2 . 2 39 39 LEU HD21 H 1 -0.086 0.010 . 2 . . . . . 361 LEU HD21 . 50193 1 193 . 2 . 2 39 39 LEU HD22 H 1 -0.086 0.010 . 2 . . . . . 361 LEU HD22 . 50193 1 194 . 2 . 2 39 39 LEU HD23 H 1 -0.086 0.010 . 2 . . . . . 361 LEU HD23 . 50193 1 195 . 2 . 2 39 39 LEU C C 13 175.374 0.000 . 1 . . . . . 361 LEU C . 50193 1 196 . 2 . 2 39 39 LEU CA C 13 54.453 0.048 . 1 . . . . . 361 LEU CA . 50193 1 197 . 2 . 2 39 39 LEU CB C 13 41.034 0.073 . 1 . . . . . 361 LEU CB . 50193 1 198 . 2 . 2 39 39 LEU CD1 C 13 20.390 0.012 . 2 . . . . . 361 LEU CD1 . 50193 1 199 . 2 . 2 39 39 LEU CD2 C 13 25.439 0.063 . 2 . . . . . 361 LEU CD2 . 50193 1 200 . 2 . 2 39 39 LEU N N 15 123.713 0.112 . 1 . . . . . 361 LEU N . 50193 1 201 . 2 . 2 40 40 GLY H H 1 8.555 0.014 . 1 . . . . . 362 GLY H . 50193 1 202 . 2 . 2 40 40 GLY C C 13 173.499 0.000 . 1 . . . . . 362 GLY C . 50193 1 203 . 2 . 2 40 40 GLY CA C 13 42.027 0.027 . 1 . . . . . 362 GLY CA . 50193 1 204 . 2 . 2 40 40 GLY N N 15 114.486 0.116 . 1 . . . . . 362 GLY N . 50193 1 205 . 2 . 2 41 41 LYS H H 1 8.295 0.006 . 1 . . . . . 363 LYS H . 50193 1 206 . 2 . 2 41 41 LYS CA C 13 60.404 0.000 . 1 . . . . . 363 LYS CA . 50193 1 207 . 2 . 2 41 41 LYS N N 15 120.583 0.048 . 1 . . . . . 363 LYS N . 50193 1 208 . 2 . 2 42 42 ARG C C 13 173.886 0.000 . 1 . . . . . 364 ARG C . 50193 1 209 . 2 . 2 42 42 ARG CA C 13 54.742 0.000 . 1 . . . . . 364 ARG CA . 50193 1 210 . 2 . 2 43 43 GLU H H 1 6.840 0.010 . 1 . . . . . 365 GLU H . 50193 1 211 . 2 . 2 43 43 GLU C C 13 175.149 0.000 . 1 . . . . . 365 GLU C . 50193 1 212 . 2 . 2 43 43 GLU CA C 13 53.400 0.044 . 1 . . . . . 365 GLU CA . 50193 1 213 . 2 . 2 43 43 GLU N N 15 115.654 0.116 . 1 . . . . . 365 GLU N . 50193 1 214 . 2 . 2 44 44 PHE H H 1 8.123 0.009 . 1 . . . . . 366 PHE H . 50193 1 215 . 2 . 2 44 44 PHE C C 13 170.317 0.000 . 1 . . . . . 366 PHE C . 50193 1 216 . 2 . 2 44 44 PHE CA C 13 56.293 0.036 . 1 . . . . . 366 PHE CA . 50193 1 217 . 2 . 2 44 44 PHE CB C 13 41.628 0.073 . 1 . . . . . 366 PHE CB . 50193 1 218 . 2 . 2 44 44 PHE N N 15 115.589 0.134 . 1 . . . . . 366 PHE N . 50193 1 219 . 2 . 2 45 45 ALA H H 1 8.778 0.005 . 1 . . . . . 367 ALA H . 50193 1 220 . 2 . 2 45 45 ALA C C 13 177.059 0.000 . 1 . . . . . 367 ALA C . 50193 1 221 . 2 . 2 45 45 ALA CA C 13 50.403 0.082 . 1 . . . . . 367 ALA CA . 50193 1 222 . 2 . 2 45 45 ALA CB C 13 23.949 0.025 . 1 . . . . . 367 ALA CB . 50193 1 223 . 2 . 2 45 45 ALA N N 15 120.400 0.117 . 1 . . . . . 367 ALA N . 50193 1 224 . 2 . 2 46 46 TRP H H 1 8.744 0.013 . 1 . . . . . 368 TRP H . 50193 1 225 . 2 . 2 46 46 TRP HE1 H 1 10.486 0.019 . 1 . . . . . 368 TRP HE1 . 50193 1 226 . 2 . 2 46 46 TRP C C 13 176.762 0.000 . 1 . . . . . 368 TRP C . 50193 1 227 . 2 . 2 46 46 TRP CA C 13 56.466 0.006 . 1 . . . . . 368 TRP CA . 50193 1 228 . 2 . 2 46 46 TRP CB C 13 29.930 0.000 . 1 . . . . . 368 TRP CB . 50193 1 229 . 2 . 2 46 46 TRP N N 15 122.461 0.096 . 1 . . . . . 368 TRP N . 50193 1 230 . 2 . 2 46 46 TRP NE1 N 15 129.726 0.130 . 1 . . . . . 368 TRP NE1 . 50193 1 231 . 2 . 2 47 47 ILE H H 1 8.727 0.015 . 1 . . . . . 369 ILE H . 50193 1 232 . 2 . 2 47 47 ILE HD11 H 1 0.512 0.011 . 1 . . . . . 369 ILE HD11 . 50193 1 233 . 2 . 2 47 47 ILE HD12 H 1 0.512 0.011 . 1 . . . . . 369 ILE HD12 . 50193 1 234 . 2 . 2 47 47 ILE HD13 H 1 0.512 0.011 . 1 . . . . . 369 ILE HD13 . 50193 1 235 . 2 . 2 47 47 ILE CA C 13 58.852 0.000 . 1 . . . . . 369 ILE CA . 50193 1 236 . 2 . 2 47 47 ILE CB C 13 37.072 0.000 . 1 . . . . . 369 ILE CB . 50193 1 237 . 2 . 2 47 47 ILE CD1 C 13 13.528 0.000 . 1 . . . . . 369 ILE CD1 . 50193 1 238 . 2 . 2 47 47 ILE N N 15 124.972 0.144 . 1 . . . . . 369 ILE N . 50193 1 239 . 2 . 2 48 48 PRO C C 13 176.656 0.000 . 1 . . . . . 370 PRO C . 50193 1 240 . 2 . 2 48 48 PRO CA C 13 62.480 0.003 . 1 . . . . . 370 PRO CA . 50193 1 241 . 2 . 2 48 48 PRO CB C 13 31.155 0.023 . 1 . . . . . 370 PRO CB . 50193 1 242 . 2 . 2 49 49 GLU H H 1 8.445 0.010 . 1 . . . . . 371 GLU H . 50193 1 243 . 2 . 2 49 49 GLU C C 13 176.573 0.000 . 1 . . . . . 371 GLU C . 50193 1 244 . 2 . 2 49 49 GLU CA C 13 56.189 0.031 . 1 . . . . . 371 GLU CA . 50193 1 245 . 2 . 2 49 49 GLU CB C 13 29.266 0.110 . 1 . . . . . 371 GLU CB . 50193 1 246 . 2 . 2 49 49 GLU N N 15 121.983 0.087 . 1 . . . . . 371 GLU N . 50193 1 247 . 2 . 2 50 50 SER H H 1 8.172 0.007 . 1 . . . . . 372 SER H . 50193 1 248 . 2 . 2 50 50 SER C C 13 176.906 0.000 . 1 . . . . . 372 SER C . 50193 1 249 . 2 . 2 50 50 SER CA C 13 58.121 0.035 . 1 . . . . . 372 SER CA . 50193 1 250 . 2 . 2 50 50 SER CB C 13 63.088 0.035 . 1 . . . . . 372 SER CB . 50193 1 251 . 2 . 2 50 50 SER N N 15 116.777 0.105 . 1 . . . . . 372 SER N . 50193 1 252 . 2 . 2 51 51 GLY H H 1 8.316 0.015 . 1 . . . . . 373 GLY H . 50193 1 253 . 2 . 2 51 51 GLY C C 13 173.821 0.000 . 1 . . . . . 373 GLY C . 50193 1 254 . 2 . 2 51 51 GLY CA C 13 44.928 0.081 . 1 . . . . . 373 GLY CA . 50193 1 255 . 2 . 2 51 51 GLY N N 15 111.140 0.113 . 1 . . . . . 373 GLY N . 50193 1 256 . 2 . 2 52 52 LYS H H 1 7.826 0.022 . 1 . . . . . 374 LYS H . 50193 1 257 . 2 . 2 52 52 LYS C C 13 175.988 0.000 . 1 . . . . . 374 LYS C . 50193 1 258 . 2 . 2 52 52 LYS CA C 13 55.650 0.049 . 1 . . . . . 374 LYS CA . 50193 1 259 . 2 . 2 52 52 LYS CB C 13 31.800 0.017 . 1 . . . . . 374 LYS CB . 50193 1 260 . 2 . 2 52 52 LYS N N 15 121.215 0.063 . 1 . . . . . 374 LYS N . 50193 1 261 . 2 . 2 53 53 TYR H H 1 7.868 0.017 . 1 . . . . . 375 TYR H . 50193 1 262 . 2 . 2 53 53 TYR C C 13 175.275 0.000 . 1 . . . . . 375 TYR C . 50193 1 263 . 2 . 2 53 53 TYR CA C 13 57.303 0.016 . 1 . . . . . 375 TYR CA . 50193 1 264 . 2 . 2 53 53 TYR CB C 13 37.715 0.023 . 1 . . . . . 375 TYR CB . 50193 1 265 . 2 . 2 53 53 TYR N N 15 121.681 0.082 . 1 . . . . . 375 TYR N . 50193 1 266 . 2 . 2 54 54 TRP H H 1 7.666 0.008 . 1 . . . . . 376 TRP H . 50193 1 267 . 2 . 2 54 54 TRP HE1 H 1 10.008 0.005 . 1 . . . . . 376 TRP HE1 . 50193 1 268 . 2 . 2 54 54 TRP C C 13 175.152 0.000 . 1 . . . . . 376 TRP C . 50193 1 269 . 2 . 2 54 54 TRP CA C 13 56.508 0.020 . 1 . . . . . 376 TRP CA . 50193 1 270 . 2 . 2 54 54 TRP CB C 13 28.946 0.008 . 1 . . . . . 376 TRP CB . 50193 1 271 . 2 . 2 54 54 TRP N N 15 123.188 0.080 . 1 . . . . . 376 TRP N . 50193 1 272 . 2 . 2 54 54 TRP NE1 N 15 130.031 0.124 . 1 . . . . . 376 TRP NE1 . 50193 1 273 . 2 . 2 55 55 ALA H H 1 7.634 0.005 . 1 . . . . . 377 ALA H . 50193 1 274 . 2 . 2 55 55 ALA C C 13 176.807 0.043 . 1 . . . . . 377 ALA C . 50193 1 275 . 2 . 2 55 55 ALA CA C 13 51.657 0.071 . 1 . . . . . 377 ALA CA . 50193 1 276 . 2 . 2 55 55 ALA CB C 13 18.746 0.000 . 1 . . . . . 377 ALA CB . 50193 1 277 . 2 . 2 55 55 ALA N N 15 125.510 0.072 . 1 . . . . . 377 ALA N . 50193 1 278 . 2 . 2 56 56 ASP H H 1 7.969 0.008 . 1 . . . . . 378 ASP H . 50193 1 279 . 2 . 2 56 56 ASP C C 13 175.101 0.000 . 1 . . . . . 378 ASP C . 50193 1 280 . 2 . 2 56 56 ASP CA C 13 53.963 0.044 . 1 . . . . . 378 ASP CA . 50193 1 281 . 2 . 2 56 56 ASP CB C 13 40.484 0.007 . 1 . . . . . 378 ASP CB . 50193 1 282 . 2 . 2 56 56 ASP N N 15 120.519 0.128 . 1 . . . . . 378 ASP N . 50193 1 283 . 2 . 2 57 57 GLU H H 1 7.668 0.006 . 1 . . . . . 379 GLU H . 50193 1 284 . 2 . 2 57 57 GLU CA C 13 57.466 0.000 . 1 . . . . . 379 GLU CA . 50193 1 285 . 2 . 2 57 57 GLU CB C 13 30.380 0.000 . 1 . . . . . 379 GLU CB . 50193 1 286 . 2 . 2 57 57 GLU N N 15 125.981 0.053 . 1 . . . . . 379 GLU N . 50193 1 stop_ save_