################################### # 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 53115 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Tau-5* (dC448) C404 - EPI-001 adduct' _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' . . . 53115 1 2 '3D HNCO' . . . 53115 1 3 '3D HNCA' . . . 53115 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 1 $software_1 . . 53115 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 . 1 . 1 1 1 ALA H H 1 8.685 0.000 . 1 . . . . . 330 ALA H . 53115 1 2 . 1 . 1 1 1 ALA C C 13 177.753 0.000 . 1 . . . . . 330 ALA C . 53115 1 3 . 1 . 1 1 1 ALA CA C 13 52.377 0.000 . 1 . . . . . 330 ALA CA . 53115 1 4 . 1 . 1 1 1 ALA N N 15 125.210 0.001 . 1 . . . . . 330 ALA N . 53115 1 5 . 1 . 1 2 2 ALA H H 1 8.580 0.002 . 1 . . . . . 331 ALA H . 53115 1 6 . 1 . 1 2 2 ALA C C 13 178.497 0.000 . 1 . . . . . 331 ALA C . 53115 1 7 . 1 . 1 2 2 ALA CA C 13 52.759 0.000 . 1 . . . . . 331 ALA CA . 53115 1 8 . 1 . 1 2 2 ALA N N 15 124.268 0.009 . 1 . . . . . 331 ALA N . 53115 1 9 . 1 . 1 3 3 GLY H H 1 8.562 0.001 . 1 . . . . . 332 GLY H . 53115 1 10 . 1 . 1 3 3 GLY C C 13 174.398 0.000 . 1 . . . . . 332 GLY C . 53115 1 11 . 1 . 1 3 3 GLY CA C 13 45.215 0.000 . 1 . . . . . 332 GLY CA . 53115 1 12 . 1 . 1 3 3 GLY N N 15 108.914 0.005 . 1 . . . . . 332 GLY N . 53115 1 13 . 1 . 1 4 4 SER H H 1 8.350 0.004 . 1 . . . . . 333 SER H . 53115 1 14 . 1 . 1 4 4 SER CA C 13 58.423 0.000 . 1 . . . . . 333 SER CA . 53115 1 15 . 1 . 1 4 4 SER N N 15 115.716 0.005 . 1 . . . . . 333 SER N . 53115 1 16 . 1 . 1 5 5 SER H H 1 8.626 0.000 . 1 . . . . . 334 SER H . 53115 1 17 . 1 . 1 5 5 SER C C 13 175.120 0.000 . 1 . . . . . 334 SER C . 53115 1 18 . 1 . 1 5 5 SER CA C 13 58.630 0.000 . 1 . . . . . 334 SER CA . 53115 1 19 . 1 . 1 5 5 SER N N 15 117.979 0.015 . 1 . . . . . 334 SER N . 53115 1 20 . 1 . 1 6 6 GLY H H 1 8.546 0.002 . 1 . . . . . 335 GLY H . 53115 1 21 . 1 . 1 6 6 GLY C C 13 174.229 0.000 . 1 . . . . . 335 GLY C . 53115 1 22 . 1 . 1 6 6 GLY CA C 13 45.277 0.000 . 1 . . . . . 335 GLY CA . 53115 1 23 . 1 . 1 6 6 GLY N N 15 110.990 0.012 . 1 . . . . . 335 GLY N . 53115 1 24 . 1 . 1 7 7 THR H H 1 8.164 0.001 . 1 . . . . . 336 THR H . 53115 1 25 . 1 . 1 7 7 THR C C 13 174.438 0.000 . 1 . . . . . 336 THR C . 53115 1 26 . 1 . 1 7 7 THR CA C 13 61.750 0.000 . 1 . . . . . 336 THR CA . 53115 1 27 . 1 . 1 7 7 THR N N 15 114.389 0.017 . 1 . . . . . 336 THR N . 53115 1 28 . 1 . 1 8 8 LEU H H 1 8.426 0.001 . 1 . . . . . 337 LEU H . 53115 1 29 . 1 . 1 8 8 LEU C C 13 177.070 0.000 . 1 . . . . . 337 LEU C . 53115 1 30 . 1 . 1 8 8 LEU CA C 13 55.078 0.000 . 1 . . . . . 337 LEU CA . 53115 1 31 . 1 . 1 8 8 LEU N N 15 125.052 0.004 . 1 . . . . . 337 LEU N . 53115 1 32 . 1 . 1 9 9 GLU H H 1 8.468 0.002 . 1 . . . . . 338 GLU H . 53115 1 33 . 1 . 1 9 9 GLU C C 13 176.028 0.000 . 1 . . . . . 338 GLU C . 53115 1 34 . 1 . 1 9 9 GLU CA C 13 56.090 0.000 . 1 . . . . . 338 GLU CA . 53115 1 35 . 1 . 1 9 9 GLU N N 15 122.648 0.007 . 1 . . . . . 338 GLU N . 53115 1 36 . 1 . 1 10 10 LEU H H 1 8.490 0.001 . 1 . . . . . 339 LEU H . 53115 1 37 . 1 . 1 10 10 LEU CA C 13 52.987 0.000 . 1 . . . . . 339 LEU CA . 53115 1 38 . 1 . 1 10 10 LEU N N 15 125.426 0.011 . 1 . . . . . 339 LEU N . 53115 1 39 . 1 . 1 11 11 PRO C C 13 177.091 0.000 . 1 . . . . . 340 PRO C . 53115 1 40 . 1 . 1 11 11 PRO CA C 13 63.174 0.000 . 1 . . . . . 340 PRO CA . 53115 1 41 . 1 . 1 12 12 SER H H 1 8.577 0.001 . 1 . . . . . 341 SER H . 53115 1 42 . 1 . 1 12 12 SER C C 13 175.379 0.000 . 1 . . . . . 341 SER C . 53115 1 43 . 1 . 1 12 12 SER CA C 13 58.419 0.000 . 1 . . . . . 341 SER CA . 53115 1 44 . 1 . 1 12 12 SER N N 15 116.101 0.008 . 1 . . . . . 341 SER N . 53115 1 45 . 1 . 1 13 13 THR H H 1 8.321 0.002 . 1 . . . . . 342 THR H . 53115 1 46 . 1 . 1 13 13 THR C C 13 174.821 0.000 . 1 . . . . . 342 THR C . 53115 1 47 . 1 . 1 13 13 THR CA C 13 62.273 0.000 . 1 . . . . . 342 THR CA . 53115 1 48 . 1 . 1 13 13 THR N N 15 116.444 0.006 . 1 . . . . . 342 THR N . 53115 1 49 . 1 . 1 14 14 LEU H H 1 8.219 0.002 . 1 . . . . . 343 LEU H . 53115 1 50 . 1 . 1 14 14 LEU C C 13 177.628 0.000 . 1 . . . . . 343 LEU C . 53115 1 51 . 1 . 1 14 14 LEU CA C 13 55.502 0.000 . 1 . . . . . 343 LEU CA . 53115 1 52 . 1 . 1 14 14 LEU N N 15 123.894 0.021 . 1 . . . . . 343 LEU N . 53115 1 53 . 1 . 1 15 15 SER H H 1 8.341 0.001 . 1 . . . . . 344 SER H . 53115 1 54 . 1 . 1 15 15 SER C C 13 174.709 0.000 . 1 . . . . . 344 SER C . 53115 1 55 . 1 . 1 15 15 SER CA C 13 58.605 0.000 . 1 . . . . . 344 SER CA . 53115 1 56 . 1 . 1 15 15 SER N N 15 116.607 0.006 . 1 . . . . . 344 SER N . 53115 1 57 . 1 . 1 16 16 LEU H H 1 8.232 0.002 . 1 . . . . . 345 LEU H . 53115 1 58 . 1 . 1 16 16 LEU C C 13 177.217 0.000 . 1 . . . . . 345 LEU C . 53115 1 59 . 1 . 1 16 16 LEU CA C 13 55.260 0.000 . 1 . . . . . 345 LEU CA . 53115 1 60 . 1 . 1 16 16 LEU N N 15 124.006 0.010 . 1 . . . . . 345 LEU N . 53115 1 61 . 1 . 1 17 17 TYR H H 1 8.171 0.002 . 1 . . . . . 346 TYR H . 53115 1 62 . 1 . 1 17 17 TYR C C 13 175.789 0.000 . 1 . . . . . 346 TYR C . 53115 1 63 . 1 . 1 17 17 TYR CA C 13 58.069 0.000 . 1 . . . . . 346 TYR CA . 53115 1 64 . 1 . 1 17 17 TYR N N 15 120.474 0.007 . 1 . . . . . 346 TYR N . 53115 1 65 . 1 . 1 18 18 LYS H H 1 8.232 0.001 . 1 . . . . . 347 LYS H . 53115 1 66 . 1 . 1 18 18 LYS C C 13 176.196 0.000 . 1 . . . . . 347 LYS C . 53115 1 67 . 1 . 1 18 18 LYS CA C 13 56.164 0.000 . 1 . . . . . 347 LYS CA . 53115 1 68 . 1 . 1 18 18 LYS N N 15 123.982 0.026 . 1 . . . . . 347 LYS N . 53115 1 69 . 1 . 1 19 19 SER H H 1 8.442 0.000 . 1 . . . . . 348 SER H . 53115 1 70 . 1 . 1 19 19 SER C C 13 175.214 0.000 . 1 . . . . . 348 SER C . 53115 1 71 . 1 . 1 19 19 SER CA C 13 58.575 0.000 . 1 . . . . . 348 SER CA . 53115 1 72 . 1 . 1 19 19 SER N N 15 117.407 0.003 . 1 . . . . . 348 SER N . 53115 1 73 . 1 . 1 20 20 GLY H H 1 8.564 0.002 . 1 . . . . . 349 GLY H . 53115 1 74 . 1 . 1 20 20 GLY C C 13 173.985 0.000 . 1 . . . . . 349 GLY C . 53115 1 75 . 1 . 1 20 20 GLY CA C 13 45.252 0.000 . 1 . . . . . 349 GLY CA . 53115 1 76 . 1 . 1 20 20 GLY N N 15 111.446 0.003 . 1 . . . . . 349 GLY N . 53115 1 77 . 1 . 1 21 21 ALA H H 1 8.203 0.001 . 1 . . . . . 350 ALA H . 53115 1 78 . 1 . 1 21 21 ALA C C 13 178.085 0.000 . 1 . . . . . 350 ALA C . 53115 1 79 . 1 . 1 21 21 ALA CA C 13 52.724 0.000 . 1 . . . . . 350 ALA CA . 53115 1 80 . 1 . 1 21 21 ALA N N 15 123.724 0.009 . 1 . . . . . 350 ALA N . 53115 1 81 . 1 . 1 22 22 LEU H H 1 8.385 0.001 . 1 . . . . . 351 LEU H . 53115 1 82 . 1 . 1 22 22 LEU C C 13 177.399 0.000 . 1 . . . . . 351 LEU C . 53115 1 83 . 1 . 1 22 22 LEU CA C 13 55.404 0.000 . 1 . . . . . 351 LEU CA . 53115 1 84 . 1 . 1 22 22 LEU N N 15 121.119 0.006 . 1 . . . . . 351 LEU N . 53115 1 85 . 1 . 1 23 23 ASP H H 1 8.309 0.000 . 1 . . . . . 352 ASP H . 53115 1 86 . 1 . 1 23 23 ASP C C 13 176.699 0.000 . 1 . . . . . 352 ASP C . 53115 1 87 . 1 . 1 23 23 ASP CA C 13 54.319 0.000 . 1 . . . . . 352 ASP CA . 53115 1 88 . 1 . 1 23 23 ASP N N 15 121.072 0.020 . 1 . . . . . 352 ASP N . 53115 1 89 . 1 . 1 24 24 GLU H H 1 8.458 0.001 . 1 . . . . . 353 GLU H . 53115 1 90 . 1 . 1 24 24 GLU C C 13 176.980 0.000 . 1 . . . . . 353 GLU C . 53115 1 91 . 1 . 1 24 24 GLU CA C 13 57.526 0.000 . 1 . . . . . 353 GLU CA . 53115 1 92 . 1 . 1 24 24 GLU N N 15 122.265 0.008 . 1 . . . . . 353 GLU N . 53115 1 93 . 1 . 1 25 25 ALA H H 1 8.322 0.000 . 1 . . . . . 354 ALA H . 53115 1 94 . 1 . 1 25 25 ALA C C 13 178.424 0.000 . 1 . . . . . 354 ALA C . 53115 1 95 . 1 . 1 25 25 ALA CA C 13 53.220 0.000 . 1 . . . . . 354 ALA CA . 53115 1 96 . 1 . 1 25 25 ALA N N 15 123.587 0.005 . 1 . . . . . 354 ALA N . 53115 1 97 . 1 . 1 26 26 ALA H H 1 8.089 0.002 . 1 . . . . . 355 ALA H . 53115 1 98 . 1 . 1 26 26 ALA C C 13 178.290 0.000 . 1 . . . . . 355 ALA C . 53115 1 99 . 1 . 1 26 26 ALA CA C 13 52.985 0.000 . 1 . . . . . 355 ALA CA . 53115 1 100 . 1 . 1 26 26 ALA N N 15 122.136 0.013 . 1 . . . . . 355 ALA N . 53115 1 101 . 1 . 1 27 27 ALA H H 1 8.124 0.002 . 1 . . . . . 356 ALA H . 53115 1 102 . 1 . 1 27 27 ALA C C 13 178.115 0.000 . 1 . . . . . 356 ALA C . 53115 1 103 . 1 . 1 27 27 ALA CA C 13 52.988 0.000 . 1 . . . . . 356 ALA CA . 53115 1 104 . 1 . 1 27 27 ALA N N 15 122.128 0.016 . 1 . . . . . 356 ALA N . 53115 1 105 . 1 . 1 28 28 TYR H H 1 8.036 0.004 . 1 . . . . . 357 TYR H . 53115 1 106 . 1 . 1 28 28 TYR C C 13 176.135 0.000 . 1 . . . . . 357 TYR C . 53115 1 107 . 1 . 1 28 28 TYR CA C 13 58.563 0.000 . 1 . . . . . 357 TYR CA . 53115 1 108 . 1 . 1 28 28 TYR N N 15 118.708 0.004 . 1 . . . . . 357 TYR N . 53115 1 109 . 1 . 1 29 29 GLN H H 1 8.096 0.002 . 1 . . . . . 358 GLN H . 53115 1 110 . 1 . 1 29 29 GLN C C 13 175.786 0.000 . 1 . . . . . 358 GLN C . 53115 1 111 . 1 . 1 29 29 GLN CA C 13 55.807 0.000 . 1 . . . . . 358 GLN CA . 53115 1 112 . 1 . 1 29 29 GLN N N 15 121.335 0.010 . 1 . . . . . 358 GLN N . 53115 1 113 . 1 . 1 30 30 SER H H 1 8.296 0.002 . 1 . . . . . 359 SER H . 53115 1 114 . 1 . 1 30 30 SER C C 13 174.845 0.000 . 1 . . . . . 359 SER C . 53115 1 115 . 1 . 1 30 30 SER CA C 13 58.652 0.000 . 1 . . . . . 359 SER CA . 53115 1 116 . 1 . 1 30 30 SER N N 15 116.602 0.006 . 1 . . . . . 359 SER N . 53115 1 117 . 1 . 1 31 31 ARG H H 1 8.346 0.003 . 1 . . . . . 360 ARG H . 53115 1 118 . 1 . 1 31 31 ARG C C 13 175.944 0.000 . 1 . . . . . 360 ARG C . 53115 1 119 . 1 . 1 31 31 ARG CA C 13 56.554 0.000 . 1 . . . . . 360 ARG CA . 53115 1 120 . 1 . 1 31 31 ARG N N 15 122.694 0.004 . 1 . . . . . 360 ARG N . 53115 1 121 . 1 . 1 32 32 ASP H H 1 8.325 0.002 . 1 . . . . . 361 ASP H . 53115 1 122 . 1 . 1 32 32 ASP C C 13 176.128 0.000 . 1 . . . . . 361 ASP C . 53115 1 123 . 1 . 1 32 32 ASP CA C 13 54.487 0.000 . 1 . . . . . 361 ASP CA . 53115 1 124 . 1 . 1 32 32 ASP N N 15 120.510 0.015 . 1 . . . . . 361 ASP N . 53115 1 125 . 1 . 1 33 33 TYR H H 1 8.001 0.005 . 1 . . . . . 362 TYR H . 53115 1 126 . 1 . 1 33 33 TYR C C 13 175.618 0.000 . 1 . . . . . 362 TYR C . 53115 1 127 . 1 . 1 33 33 TYR CA C 13 58.746 0.000 . 1 . . . . . 362 TYR CA . 53115 1 128 . 1 . 1 33 33 TYR N N 15 120.233 0.017 . 1 . . . . . 362 TYR N . 53115 1 129 . 1 . 1 34 34 TYR H H 1 7.992 0.002 . 1 . . . . . 363 TYR H . 53115 1 130 . 1 . 1 34 34 TYR C C 13 175.347 0.000 . 1 . . . . . 363 TYR C . 53115 1 131 . 1 . 1 34 34 TYR CA C 13 58.952 0.000 . 1 . . . . . 363 TYR CA . 53115 1 132 . 1 . 1 34 34 TYR N N 15 119.846 0.002 . 1 . . . . . 363 TYR N . 53115 1 133 . 1 . 1 35 35 ASN H H 1 8.018 0.002 . 1 . . . . . 364 ASN H . 53115 1 134 . 1 . 1 35 35 ASN C C 13 174.147 0.000 . 1 . . . . . 364 ASN C . 53115 1 135 . 1 . 1 35 35 ASN CA C 13 52.840 0.000 . 1 . . . . . 364 ASN CA . 53115 1 136 . 1 . 1 35 35 ASN N N 15 119.254 0.007 . 1 . . . . . 364 ASN N . 53115 1 137 . 1 . 1 36 36 PHE H H 1 8.046 0.004 . 1 . . . . . 365 PHE H . 53115 1 138 . 1 . 1 36 36 PHE CA C 13 55.930 0.000 . 1 . . . . . 365 PHE CA . 53115 1 139 . 1 . 1 36 36 PHE N N 15 121.316 0.007 . 1 . . . . . 365 PHE N . 53115 1 140 . 1 . 1 37 37 PRO C C 13 176.971 0.000 . 1 . . . . . 366 PRO C . 53115 1 141 . 1 . 1 38 38 LEU H H 1 8.328 0.002 . 1 . . . . . 367 LEU H . 53115 1 142 . 1 . 1 38 38 LEU C C 13 177.422 0.000 . 1 . . . . . 367 LEU C . 53115 1 143 . 1 . 1 38 38 LEU CA C 13 55.172 0.000 . 1 . . . . . 367 LEU CA . 53115 1 144 . 1 . 1 38 38 LEU N N 15 122.222 0.017 . 1 . . . . . 367 LEU N . 53115 1 145 . 1 . 1 39 39 ALA H H 1 8.351 0.002 . 1 . . . . . 368 ALA H . 53115 1 146 . 1 . 1 39 39 ALA C C 13 177.625 0.000 . 1 . . . . . 368 ALA C . 53115 1 147 . 1 . 1 39 39 ALA CA C 13 52.407 0.000 . 1 . . . . . 368 ALA CA . 53115 1 148 . 1 . 1 39 39 ALA N N 15 124.708 0.020 . 1 . . . . . 368 ALA N . 53115 1 149 . 1 . 1 40 40 LEU H H 1 8.234 0.010 . 1 . . . . . 369 LEU H . 53115 1 150 . 1 . 1 40 40 LEU C C 13 177.114 0.000 . 1 . . . . . 369 LEU C . 53115 1 151 . 1 . 1 40 40 LEU CA C 13 54.922 0.000 . 1 . . . . . 369 LEU CA . 53115 1 152 . 1 . 1 40 40 LEU N N 15 121.436 0.051 . 1 . . . . . 369 LEU N . 53115 1 153 . 1 . 1 41 41 ALA H H 1 8.339 0.000 . 1 . . . . . 370 ALA H . 53115 1 154 . 1 . 1 41 41 ALA C C 13 177.703 0.000 . 1 . . . . . 370 ALA C . 53115 1 155 . 1 . 1 41 41 ALA CA C 13 52.369 0.000 . 1 . . . . . 370 ALA CA . 53115 1 156 . 1 . 1 41 41 ALA N N 15 124.833 0.012 . 1 . . . . . 370 ALA N . 53115 1 157 . 1 . 1 42 42 GLY H H 1 8.188 0.001 . 1 . . . . . 371 GLY H . 53115 1 158 . 1 . 1 42 42 GLY CA C 13 44.366 0.000 . 1 . . . . . 371 GLY CA . 53115 1 159 . 1 . 1 42 42 GLY N N 15 108.475 0.003 . 1 . . . . . 371 GLY N . 53115 1 160 . 1 . 1 53 53 HIS H H 1 8.885 0.000 . 1 . . . . . 382 HIS H . 53115 1 161 . 1 . 1 53 53 HIS C C 13 175.472 0.000 . 1 . . . . . 382 HIS C . 53115 1 162 . 1 . 1 53 53 HIS N N 15 119.590 0.000 . 1 . . . . . 382 HIS N . 53115 1 163 . 1 . 1 54 54 ALA H H 1 8.249 0.004 . 1 . . . . . 383 ALA H . 53115 1 164 . 1 . 1 54 54 ALA C C 13 177.642 0.000 . 1 . . . . . 383 ALA C . 53115 1 165 . 1 . 1 54 54 ALA CA C 13 52.653 0.000 . 1 . . . . . 383 ALA CA . 53115 1 166 . 1 . 1 54 54 ALA N N 15 124.728 0.005 . 1 . . . . . 383 ALA N . 53115 1 167 . 1 . 1 55 55 ARG H H 1 8.497 0.007 . 1 . . . . . 384 ARG H . 53115 1 168 . 1 . 1 55 55 ARG C C 13 176.351 0.000 . 1 . . . . . 384 ARG C . 53115 1 169 . 1 . 1 55 55 ARG CA C 13 55.058 0.000 . 1 . . . . . 384 ARG CA . 53115 1 170 . 1 . 1 55 55 ARG N N 15 120.587 0.027 . 1 . . . . . 384 ARG N . 53115 1 171 . 1 . 1 56 56 ILE H H 1 8.216 0.003 . 1 . . . . . 385 ILE H . 53115 1 172 . 1 . 1 56 56 ILE C C 13 175.900 0.000 . 1 . . . . . 385 ILE C . 53115 1 173 . 1 . 1 56 56 ILE CA C 13 61.016 0.000 . 1 . . . . . 385 ILE CA . 53115 1 174 . 1 . 1 56 56 ILE N N 15 122.338 0.023 . 1 . . . . . 385 ILE N . 53115 1 175 . 1 . 1 57 57 LYS H H 1 8.468 0.003 . 1 . . . . . 386 LYS H . 53115 1 176 . 1 . 1 57 57 LYS C C 13 176.053 0.000 . 1 . . . . . 386 LYS C . 53115 1 177 . 1 . 1 57 57 LYS CA C 13 56.025 0.000 . 1 . . . . . 386 LYS CA . 53115 1 178 . 1 . 1 57 57 LYS N N 15 126.058 0.029 . 1 . . . . . 386 LYS N . 53115 1 179 . 1 . 1 58 58 LEU H H 1 8.394 0.002 . 1 . . . . . 387 LEU H . 53115 1 180 . 1 . 1 58 58 LEU C C 13 177.112 0.000 . 1 . . . . . 387 LEU C . 53115 1 181 . 1 . 1 58 58 LEU CA C 13 56.089 0.000 . 1 . . . . . 387 LEU CA . 53115 1 182 . 1 . 1 58 58 LEU N N 15 124.955 0.005 . 1 . . . . . 387 LEU N . 53115 1 183 . 1 . 1 59 59 GLU H H 1 8.549 0.006 . 1 . . . . . 388 GLU H . 53115 1 184 . 1 . 1 59 59 GLU C C 13 175.845 0.000 . 1 . . . . . 388 GLU C . 53115 1 185 . 1 . 1 59 59 GLU CA C 13 56.679 0.000 . 1 . . . . . 388 GLU CA . 53115 1 186 . 1 . 1 59 59 GLU N N 15 121.965 0.011 . 1 . . . . . 388 GLU N . 53115 1 187 . 1 . 1 60 60 ASN H H 1 8.562 0.004 . 1 . . . . . 389 ASN H . 53115 1 188 . 1 . 1 60 60 ASN N N 15 119.978 0.011 . 1 . . . . . 389 ASN N . 53115 1 189 . 1 . 1 61 61 PRO C C 13 177.253 0.000 . 1 . . . . . 390 PRO C . 53115 1 190 . 1 . 1 61 61 PRO CA C 13 63.799 0.000 . 1 . . . . . 390 PRO CA . 53115 1 191 . 1 . 1 62 62 LEU H H 1 8.190 0.005 . 1 . . . . . 391 LEU H . 53115 1 192 . 1 . 1 62 62 LEU C C 13 177.351 0.000 . 1 . . . . . 391 LEU C . 53115 1 193 . 1 . 1 62 62 LEU CA C 13 55.371 0.000 . 1 . . . . . 391 LEU CA . 53115 1 194 . 1 . 1 62 62 LEU N N 15 119.606 0.012 . 1 . . . . . 391 LEU N . 53115 1 195 . 1 . 1 63 63 ASP H H 1 8.015 0.002 . 1 . . . . . 392 ASP H . 53115 1 196 . 1 . 1 63 63 ASP C C 13 176.191 0.000 . 1 . . . . . 392 ASP C . 53115 1 197 . 1 . 1 63 63 ASP CA C 13 54.064 0.000 . 1 . . . . . 392 ASP CA . 53115 1 198 . 1 . 1 63 63 ASP N N 15 119.864 0.010 . 1 . . . . . 392 ASP N . 53115 1 199 . 1 . 1 64 64 TYR H H 1 8.088 0.004 . 1 . . . . . 393 TYR H . 53115 1 200 . 1 . 1 64 64 TYR N N 15 121.152 0.001 . 1 . . . . . 393 TYR N . 53115 1 201 . 1 . 1 65 65 GLY H H 1 8.442 0.000 . 1 . . . . . 394 GLY H . 53115 1 202 . 1 . 1 65 65 GLY N N 15 109.160 0.000 . 1 . . . . . 394 GLY N . 53115 1 203 . 1 . 1 69 69 ALA C C 13 179.300 0.000 . 1 . . . . . 398 ALA C . 53115 1 204 . 1 . 1 70 70 ALA H H 1 7.862 0.001 . 1 . . . . . 399 ALA H . 53115 1 205 . 1 . 1 70 70 ALA C C 13 179.268 0.000 . 1 . . . . . 399 ALA C . 53115 1 206 . 1 . 1 70 70 ALA CA C 13 53.892 0.000 . 1 . . . . . 399 ALA CA . 53115 1 207 . 1 . 1 70 70 ALA N N 15 121.612 0.005 . 1 . . . . . 399 ALA N . 53115 1 208 . 1 . 1 71 71 ALA H H 1 7.830 0.002 . 1 . . . . . 400 ALA H . 53115 1 209 . 1 . 1 71 71 ALA CA C 13 53.978 0.000 . 1 . . . . . 400 ALA CA . 53115 1 210 . 1 . 1 71 71 ALA N N 15 121.576 0.006 . 1 . . . . . 400 ALA N . 53115 1 211 . 1 . 1 72 72 ALA H H 1 7.954 0.004 . 1 . . . . . 401 ALA H . 53115 1 212 . 1 . 1 72 72 ALA C C 13 179.422 0.000 . 1 . . . . . 401 ALA C . 53115 1 213 . 1 . 1 72 72 ALA CA C 13 54.008 0.000 . 1 . . . . . 401 ALA CA . 53115 1 214 . 1 . 1 72 72 ALA N N 15 121.134 0.012 . 1 . . . . . 401 ALA N . 53115 1 215 . 1 . 1 73 73 ALA H H 1 7.802 0.002 . 1 . . . . . 402 ALA H . 53115 1 216 . 1 . 1 73 73 ALA C C 13 178.688 0.000 . 1 . . . . . 402 ALA C . 53115 1 217 . 1 . 1 73 73 ALA CA C 13 53.715 0.000 . 1 . . . . . 402 ALA CA . 53115 1 218 . 1 . 1 73 73 ALA N N 15 120.210 0.001 . 1 . . . . . 402 ALA N . 53115 1 219 . 1 . 1 74 74 GLN H H 1 7.871 0.001 . 1 . . . . . 403 GLN H . 53115 1 220 . 1 . 1 74 74 GLN N N 15 116.720 0.015 . 1 . . . . . 403 GLN N . 53115 1 221 . 1 . 1 78 78 GLY C C 13 173.941 0.000 . 1 . . . . . 407 GLY C . 53115 1 222 . 1 . 1 79 79 ASP H H 1 8.191 0.000 . 1 . . . . . 408 ASP H . 53115 1 223 . 1 . 1 79 79 ASP C C 13 176.946 0.000 . 1 . . . . . 408 ASP C . 53115 1 224 . 1 . 1 79 79 ASP CA C 13 52.723 0.000 . 1 . . . . . 408 ASP CA . 53115 1 225 . 1 . 1 79 79 ASP N N 15 120.430 0.001 . 1 . . . . . 408 ASP N . 53115 1 226 . 1 . 1 80 80 LEU H H 1 8.274 0.005 . 1 . . . . . 409 LEU H . 53115 1 227 . 1 . 1 80 80 LEU C C 13 177.959 0.000 . 1 . . . . . 409 LEU C . 53115 1 228 . 1 . 1 80 80 LEU CA C 13 56.482 0.000 . 1 . . . . . 409 LEU CA . 53115 1 229 . 1 . 1 80 80 LEU N N 15 122.690 0.018 . 1 . . . . . 409 LEU N . 53115 1 230 . 1 . 1 81 81 ALA H H 1 8.283 0.005 . 1 . . . . . 410 ALA H . 53115 1 231 . 1 . 1 81 81 ALA C C 13 178.786 0.000 . 1 . . . . . 410 ALA C . 53115 1 232 . 1 . 1 81 81 ALA CA C 13 52.858 0.000 . 1 . . . . . 410 ALA CA . 53115 1 233 . 1 . 1 81 81 ALA N N 15 123.016 0.009 . 1 . . . . . 410 ALA N . 53115 1 234 . 1 . 1 82 82 SER H H 1 8.059 0.001 . 1 . . . . . 411 SER H . 53115 1 235 . 1 . 1 82 82 SER C C 13 175.131 0.000 . 1 . . . . . 411 SER C . 53115 1 236 . 1 . 1 82 82 SER CA C 13 59.070 0.000 . 1 . . . . . 411 SER CA . 53115 1 237 . 1 . 1 82 82 SER N N 15 113.587 0.001 . 1 . . . . . 411 SER N . 53115 1 238 . 1 . 1 83 83 LEU H H 1 7.991 0.002 . 1 . . . . . 412 LEU H . 53115 1 239 . 1 . 1 83 83 LEU C C 13 177.549 0.000 . 1 . . . . . 412 LEU C . 53115 1 240 . 1 . 1 83 83 LEU CA C 13 55.793 0.000 . 1 . . . . . 412 LEU CA . 53115 1 241 . 1 . 1 83 83 LEU N N 15 123.065 0.018 . 1 . . . . . 412 LEU N . 53115 1 242 . 1 . 1 84 84 HIS H H 1 8.164 0.002 . 1 . . . . . 413 HIS H . 53115 1 243 . 1 . 1 84 84 HIS C C 13 176.116 0.000 . 1 . . . . . 413 HIS C . 53115 1 244 . 1 . 1 84 84 HIS CA C 13 56.492 0.000 . 1 . . . . . 413 HIS CA . 53115 1 245 . 1 . 1 84 84 HIS N N 15 118.505 0.008 . 1 . . . . . 413 HIS N . 53115 1 246 . 1 . 1 85 85 GLY H H 1 8.288 0.002 . 1 . . . . . 414 GLY H . 53115 1 247 . 1 . 1 85 85 GLY C C 13 174.119 0.000 . 1 . . . . . 414 GLY C . 53115 1 248 . 1 . 1 85 85 GLY CA C 13 45.331 0.000 . 1 . . . . . 414 GLY CA . 53115 1 249 . 1 . 1 85 85 GLY N N 15 109.604 0.014 . 1 . . . . . 414 GLY N . 53115 1 250 . 1 . 1 86 86 ALA H H 1 8.307 0.003 . 1 . . . . . 415 ALA H . 53115 1 251 . 1 . 1 86 86 ALA C C 13 178.397 0.000 . 1 . . . . . 415 ALA C . 53115 1 252 . 1 . 1 86 86 ALA CA C 13 52.770 0.000 . 1 . . . . . 415 ALA CA . 53115 1 253 . 1 . 1 86 86 ALA N N 15 123.800 0.006 . 1 . . . . . 415 ALA N . 53115 1 254 . 1 . 1 87 87 GLY H H 1 8.464 0.003 . 1 . . . . . 416 GLY H . 53115 1 255 . 1 . 1 87 87 GLY C C 13 174.061 0.000 . 1 . . . . . 416 GLY C . 53115 1 256 . 1 . 1 87 87 GLY CA C 13 45.225 0.000 . 1 . . . . . 416 GLY CA . 53115 1 257 . 1 . 1 87 87 GLY N N 15 108.160 0.006 . 1 . . . . . 416 GLY N . 53115 1 258 . 1 . 1 88 88 ALA H H 1 8.164 0.004 . 1 . . . . . 417 ALA H . 53115 1 259 . 1 . 1 88 88 ALA C C 13 177.464 0.000 . 1 . . . . . 417 ALA C . 53115 1 260 . 1 . 1 88 88 ALA CA C 13 52.554 0.000 . 1 . . . . . 417 ALA CA . 53115 1 261 . 1 . 1 88 88 ALA N N 15 123.747 0.007 . 1 . . . . . 417 ALA N . 53115 1 262 . 1 . 1 89 89 ALA H H 1 8.349 0.002 . 1 . . . . . 418 ALA H . 53115 1 263 . 1 . 1 89 89 ALA C C 13 177.852 0.000 . 1 . . . . . 418 ALA C . 53115 1 264 . 1 . 1 89 89 ALA CA C 13 52.357 0.000 . 1 . . . . . 418 ALA CA . 53115 1 265 . 1 . 1 89 89 ALA N N 15 122.918 0.009 . 1 . . . . . 418 ALA N . 53115 1 266 . 1 . 1 90 90 GLY H H 1 8.197 0.001 . 1 . . . . . 419 GLY H . 53115 1 267 . 1 . 1 90 90 GLY CA C 13 44.505 0.000 . 1 . . . . . 419 GLY CA . 53115 1 268 . 1 . 1 90 90 GLY N N 15 107.995 0.004 . 1 . . . . . 419 GLY N . 53115 1 269 . 1 . 1 91 91 PRO C C 13 177.827 0.000 . 1 . . . . . 420 PRO C . 53115 1 270 . 1 . 1 91 91 PRO CA C 13 63.569 0.000 . 1 . . . . . 420 PRO CA . 53115 1 271 . 1 . 1 92 92 GLY H H 1 8.694 0.002 . 1 . . . . . 421 GLY H . 53115 1 272 . 1 . 1 92 92 GLY C C 13 174.469 0.000 . 1 . . . . . 421 GLY C . 53115 1 273 . 1 . 1 92 92 GLY CA C 13 45.360 0.000 . 1 . . . . . 421 GLY CA . 53115 1 274 . 1 . 1 92 92 GLY N N 15 110.099 0.014 . 1 . . . . . 421 GLY N . 53115 1 275 . 1 . 1 93 93 SER H H 1 8.287 0.004 . 1 . . . . . 422 SER H . 53115 1 276 . 1 . 1 93 93 SER C C 13 175.123 0.000 . 1 . . . . . 422 SER C . 53115 1 277 . 1 . 1 93 93 SER CA C 13 58.763 0.000 . 1 . . . . . 422 SER CA . 53115 1 278 . 1 . 1 93 93 SER N N 15 115.599 0.012 . 1 . . . . . 422 SER N . 53115 1 279 . 1 . 1 94 94 GLY H H 1 8.587 0.004 . 1 . . . . . 423 GLY H . 53115 1 280 . 1 . 1 94 94 GLY C C 13 173.824 0.000 . 1 . . . . . 423 GLY C . 53115 1 281 . 1 . 1 94 94 GLY CA C 13 44.979 0.000 . 1 . . . . . 423 GLY CA . 53115 1 282 . 1 . 1 94 94 GLY N N 15 110.906 0.012 . 1 . . . . . 423 GLY N . 53115 1 283 . 1 . 1 95 95 SER H H 1 8.265 0.002 . 1 . . . . . 424 SER H . 53115 1 284 . 1 . 1 95 95 SER CA C 13 56.457 0.000 . 1 . . . . . 424 SER CA . 53115 1 285 . 1 . 1 95 95 SER N N 15 116.837 0.015 . 1 . . . . . 424 SER N . 53115 1 286 . 1 . 1 96 96 PRO C C 13 177.169 0.000 . 1 . . . . . 425 PRO C . 53115 1 287 . 1 . 1 96 96 PRO CA C 13 63.649 0.000 . 1 . . . . . 425 PRO CA . 53115 1 288 . 1 . 1 97 97 SER H H 1 8.428 0.003 . 1 . . . . . 426 SER H . 53115 1 289 . 1 . 1 97 97 SER C C 13 174.617 0.000 . 1 . . . . . 426 SER C . 53115 1 290 . 1 . 1 97 97 SER CA C 13 58.387 0.000 . 1 . . . . . 426 SER CA . 53115 1 291 . 1 . 1 97 97 SER N N 15 115.792 0.009 . 1 . . . . . 426 SER N . 53115 1 292 . 1 . 1 98 98 ALA H H 1 8.403 0.001 . 1 . . . . . 427 ALA H . 53115 1 293 . 1 . 1 98 98 ALA C C 13 177.858 0.000 . 1 . . . . . 427 ALA C . 53115 1 294 . 1 . 1 98 98 ALA CA C 13 52.805 0.000 . 1 . . . . . 427 ALA CA . 53115 1 295 . 1 . 1 98 98 ALA N N 15 126.278 0.008 . 1 . . . . . 427 ALA N . 53115 1 296 . 1 . 1 99 99 ALA H H 1 8.278 0.002 . 1 . . . . . 428 ALA H . 53115 1 297 . 1 . 1 99 99 ALA C C 13 177.980 0.000 . 1 . . . . . 428 ALA C . 53115 1 298 . 1 . 1 99 99 ALA CA C 13 52.760 0.000 . 1 . . . . . 428 ALA CA . 53115 1 299 . 1 . 1 99 99 ALA N N 15 122.777 0.007 . 1 . . . . . 428 ALA N . 53115 1 300 . 1 . 1 100 100 ALA H H 1 8.280 0.002 . 1 . . . . . 429 ALA H . 53115 1 301 . 1 . 1 100 100 ALA C C 13 178.168 0.000 . 1 . . . . . 429 ALA C . 53115 1 302 . 1 . 1 100 100 ALA CA C 13 52.877 0.000 . 1 . . . . . 429 ALA CA . 53115 1 303 . 1 . 1 100 100 ALA N N 15 122.951 0.006 . 1 . . . . . 429 ALA N . 53115 1 304 . 1 . 1 101 101 SER H H 1 8.256 0.001 . 1 . . . . . 430 SER H . 53115 1 305 . 1 . 1 101 101 SER C C 13 174.914 0.000 . 1 . . . . . 430 SER C . 53115 1 306 . 1 . 1 101 101 SER CA C 13 58.570 0.000 . 1 . . . . . 430 SER CA . 53115 1 307 . 1 . 1 101 101 SER N N 15 114.621 0.004 . 1 . . . . . 430 SER N . 53115 1 308 . 1 . 1 102 102 SER H H 1 8.362 0.002 . 1 . . . . . 431 SER H . 53115 1 309 . 1 . 1 102 102 SER C C 13 174.809 0.000 . 1 . . . . . 431 SER C . 53115 1 310 . 1 . 1 102 102 SER CA C 13 58.474 0.000 . 1 . . . . . 431 SER CA . 53115 1 311 . 1 . 1 102 102 SER N N 15 117.693 0.021 . 1 . . . . . 431 SER N . 53115 1 312 . 1 . 1 103 103 SER H H 1 8.348 0.001 . 1 . . . . . 432 SER H . 53115 1 313 . 1 . 1 103 103 SER C C 13 174.674 0.000 . 1 . . . . . 432 SER C . 53115 1 314 . 1 . 1 103 103 SER N N 15 117.466 0.013 . 1 . . . . . 432 SER N . 53115 1 315 . 1 . 1 104 104 TRP H H 1 8.076 0.001 . 1 . . . . . 433 TRP H . 53115 1 316 . 1 . 1 104 104 TRP C C 13 176.320 0.000 . 1 . . . . . 433 TRP C . 53115 1 317 . 1 . 1 104 104 TRP CA C 13 58.134 0.000 . 1 . . . . . 433 TRP CA . 53115 1 318 . 1 . 1 104 104 TRP N N 15 122.610 0.013 . 1 . . . . . 433 TRP N . 53115 1 319 . 1 . 1 105 105 HIS H H 1 7.901 0.000 . 1 . . . . . 434 HIS H . 53115 1 320 . 1 . 1 105 105 HIS C C 13 175.652 0.000 . 1 . . . . . 434 HIS C . 53115 1 321 . 1 . 1 105 105 HIS N N 15 119.385 0.003 . 1 . . . . . 434 HIS N . 53115 1 322 . 1 . 1 106 106 THR H H 1 7.917 0.000 . 1 . . . . . 435 THR H . 53115 1 323 . 1 . 1 106 106 THR C C 13 174.478 0.000 . 1 . . . . . 435 THR C . 53115 1 324 . 1 . 1 106 106 THR CA C 13 62.518 0.000 . 1 . . . . . 435 THR CA . 53115 1 325 . 1 . 1 106 106 THR N N 15 114.532 0.009 . 1 . . . . . 435 THR N . 53115 1 326 . 1 . 1 107 107 LEU H H 1 8.126 0.003 . 1 . . . . . 436 LEU H . 53115 1 327 . 1 . 1 107 107 LEU C C 13 177.172 0.000 . 1 . . . . . 436 LEU C . 53115 1 328 . 1 . 1 107 107 LEU CA C 13 55.429 0.000 . 1 . . . . . 436 LEU CA . 53115 1 329 . 1 . 1 107 107 LEU N N 15 123.658 0.025 . 1 . . . . . 436 LEU N . 53115 1 330 . 1 . 1 108 108 PHE H H 1 8.156 0.001 . 1 . . . . . 437 PHE H . 53115 1 331 . 1 . 1 108 108 PHE C C 13 175.791 0.000 . 1 . . . . . 437 PHE C . 53115 1 332 . 1 . 1 108 108 PHE N N 15 120.175 0.006 . 1 . . . . . 437 PHE N . 53115 1 333 . 1 . 1 109 109 THR H H 1 8.144 0.001 . 1 . . . . . 438 THR H . 53115 1 334 . 1 . 1 109 109 THR C C 13 174.081 0.000 . 1 . . . . . 438 THR C . 53115 1 335 . 1 . 1 109 109 THR N N 15 115.662 0.003 . 1 . . . . . 438 THR N . 53115 1 336 . 1 . 1 110 110 ALA H H 1 8.412 0.003 . 1 . . . . . 439 ALA H . 53115 1 337 . 1 . 1 110 110 ALA C C 13 178.049 0.000 . 1 . . . . . 439 ALA C . 53115 1 338 . 1 . 1 110 110 ALA CA C 13 52.713 0.000 . 1 . . . . . 439 ALA CA . 53115 1 339 . 1 . 1 110 110 ALA N N 15 126.304 0.010 . 1 . . . . . 439 ALA N . 53115 1 340 . 1 . 1 111 111 GLU H H 1 8.489 0.001 . 1 . . . . . 440 GLU H . 53115 1 341 . 1 . 1 111 111 GLU C C 13 176.967 0.000 . 1 . . . . . 440 GLU C . 53115 1 342 . 1 . 1 111 111 GLU CA C 13 56.986 0.000 . 1 . . . . . 440 GLU CA . 53115 1 343 . 1 . 1 111 111 GLU N N 15 120.078 0.003 . 1 . . . . . 440 GLU N . 53115 1 344 . 1 . 1 112 112 GLU H H 1 8.499 0.003 . 1 . . . . . 441 GLU H . 53115 1 345 . 1 . 1 112 112 GLU C C 13 177.307 0.000 . 1 . . . . . 441 GLU C . 53115 1 346 . 1 . 1 112 112 GLU CA C 13 57.026 0.000 . 1 . . . . . 441 GLU CA . 53115 1 347 . 1 . 1 112 112 GLU N N 15 121.936 0.005 . 1 . . . . . 441 GLU N . 53115 1 348 . 1 . 1 113 113 GLY H H 1 8.528 0.004 . 1 . . . . . 442 GLY H . 53115 1 349 . 1 . 1 113 113 GLY C C 13 174.162 0.000 . 1 . . . . . 442 GLY C . 53115 1 350 . 1 . 1 113 113 GLY CA C 13 45.412 0.000 . 1 . . . . . 442 GLY CA . 53115 1 351 . 1 . 1 113 113 GLY N N 15 109.746 0.009 . 1 . . . . . 442 GLY N . 53115 1 352 . 1 . 1 114 114 GLN H H 1 8.140 0.002 . 1 . . . . . 443 GLN H . 53115 1 353 . 1 . 1 114 114 GLN C C 13 175.802 0.000 . 1 . . . . . 443 GLN C . 53115 1 354 . 1 . 1 114 114 GLN CA C 13 55.676 0.000 . 1 . . . . . 443 GLN CA . 53115 1 355 . 1 . 1 114 114 GLN N N 15 119.604 0.008 . 1 . . . . . 443 GLN N . 53115 1 356 . 1 . 1 115 115 LEU H H 1 8.263 0.002 . 1 . . . . . 444 LEU H . 53115 1 357 . 1 . 1 115 115 LEU C C 13 176.980 0.000 . 1 . . . . . 444 LEU C . 53115 1 358 . 1 . 1 115 115 LEU CA C 13 55.138 0.000 . 1 . . . . . 444 LEU CA . 53115 1 359 . 1 . 1 115 115 LEU N N 15 123.158 0.010 . 1 . . . . . 444 LEU N . 53115 1 360 . 1 . 1 116 116 TYR H H 1 8.264 0.005 . 1 . . . . . 445 TYR H . 53115 1 361 . 1 . 1 116 116 TYR C C 13 175.817 0.000 . 1 . . . . . 445 TYR C . 53115 1 362 . 1 . 1 116 116 TYR CA C 13 57.445 0.000 . 1 . . . . . 445 TYR CA . 53115 1 363 . 1 . 1 116 116 TYR N N 15 120.144 0.010 . 1 . . . . . 445 TYR N . 53115 1 364 . 1 . 1 117 117 GLY H H 1 8.171 0.002 . 1 . . . . . 446 GLY H . 53115 1 365 . 1 . 1 117 117 GLY CA C 13 44.508 0.000 . 1 . . . . . 446 GLY CA . 53115 1 366 . 1 . 1 117 117 GLY N N 15 110.743 0.003 . 1 . . . . . 446 GLY N . 53115 1 stop_ save_