################################### # 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 53787 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list 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 $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 TROSY' . . . 53787 1 2 '3D HNCACB TROSY' . . . 53787 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 . . 53787 1 2 $software_2 . . 53787 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 2 2 ALA H H 1 8.562 . . 1 . . . . . 2 ALA H . 53787 1 2 . 1 . 1 2 2 ALA CA C 13 52.528 . . 1 . . . . . 2 ALA CA . 53787 1 3 . 1 . 1 2 2 ALA CB C 13 19.278 . . 1 . . . . . 2 ALA CB . 53787 1 4 . 1 . 1 2 2 ALA N N 15 126.416 . . 1 . . . . . 2 ALA N . 53787 1 5 . 1 . 1 3 3 THR H H 1 8.095 . . 1 . . . . . 3 THR H . 53787 1 6 . 1 . 1 3 3 THR CA C 13 61.630 . . 1 . . . . . 3 THR CA . 53787 1 7 . 1 . 1 3 3 THR CB C 13 69.948 . . 1 . . . . . 3 THR CB . 53787 1 8 . 1 . 1 3 3 THR N N 15 113.993 . . 1 . . . . . 3 THR N . 53787 1 9 . 1 . 1 4 4 PHE H H 1 8.300 . . 1 . . . . . 4 PHE H . 53787 1 10 . 1 . 1 4 4 PHE CA C 13 55.434 . . 1 . . . . . 4 PHE CA . 53787 1 11 . 1 . 1 4 4 PHE CB C 13 39.089 . . 1 . . . . . 4 PHE CB . 53787 1 12 . 1 . 1 4 4 PHE N N 15 123.301 . . 1 . . . . . 4 PHE N . 53787 1 13 . 1 . 1 7 7 ALA H H 1 8.595 . . 1 . . . . . 7 ALA H . 53787 1 14 . 1 . 1 7 7 ALA CA C 13 52.588 . . 1 . . . . . 7 ALA CA . 53787 1 15 . 1 . 1 7 7 ALA CB C 13 19.161 . . 1 . . . . . 7 ALA CB . 53787 1 16 . 1 . 1 7 7 ALA N N 15 124.702 . . 1 . . . . . 7 ALA N . 53787 1 17 . 1 . 1 8 8 THR H H 1 8.229 . . 1 . . . . . 8 THR H . 53787 1 18 . 1 . 1 8 8 THR CA C 13 61.648 . . 1 . . . . . 8 THR CA . 53787 1 19 . 1 . 1 8 8 THR CB C 13 69.914 . . 1 . . . . . 8 THR CB . 53787 1 20 . 1 . 1 8 8 THR N N 15 113.368 . . 1 . . . . . 8 THR N . 53787 1 21 . 1 . 1 9 9 SER H H 1 8.345 . . 1 . . . . . 9 SER H . 53787 1 22 . 1 . 1 9 9 SER CA C 13 58.032 . . 1 . . . . . 9 SER CA . 53787 1 23 . 1 . 1 9 9 SER CB C 13 63.931 . . 1 . . . . . 9 SER CB . 53787 1 24 . 1 . 1 9 9 SER N N 15 118.246 . . 1 . . . . . 9 SER N . 53787 1 25 . 1 . 1 10 10 ALA H H 1 8.387 . . 1 . . . . . 10 ALA H . 53787 1 26 . 1 . 1 10 10 ALA CA C 13 50.635 . . 1 . . . . . 10 ALA CA . 53787 1 27 . 1 . 1 10 10 ALA CB C 13 18.101 . . 1 . . . . . 10 ALA CB . 53787 1 28 . 1 . 1 10 10 ALA N N 15 127.407 . . 1 . . . . . 10 ALA N . 53787 1 29 . 1 . 1 12 12 GLN H H 1 8.601 . . 1 . . . . . 12 GLN H . 53787 1 30 . 1 . 1 12 12 GLN CA C 13 55.642 . . 1 . . . . . 12 GLN CA . 53787 1 31 . 1 . 1 12 12 GLN CB C 13 29.617 . . 1 . . . . . 12 GLN CB . 53787 1 32 . 1 . 1 12 12 GLN N N 15 121.194 . . 1 . . . . . 12 GLN N . 53787 1 33 . 1 . 1 13 13 GLN H H 1 8.552 . . 1 . . . . . 13 GLN H . 53787 1 34 . 1 . 1 13 13 GLN CA C 13 53.538 . . 1 . . . . . 13 GLN CA . 53787 1 35 . 1 . 1 13 13 GLN CB C 13 28.971 . . 1 . . . . . 13 GLN CB . 53787 1 36 . 1 . 1 13 13 GLN N N 15 123.398 . . 1 . . . . . 13 GLN N . 53787 1 37 . 1 . 1 16 16 GLY H H 1 8.518 . . 1 . . . . . 16 GLY H . 53787 1 38 . 1 . 1 16 16 GLY CA C 13 44.443 . . 1 . . . . . 16 GLY CA . 53787 1 39 . 1 . 1 16 16 GLY N N 15 109.886 . . 1 . . . . . 16 GLY N . 53787 1 40 . 1 . 1 18 18 GLU H H 1 8.780 . . 1 . . . . . 18 GLU H . 53787 1 41 . 1 . 1 18 18 GLU CA C 13 56.857 . . 1 . . . . . 18 GLU CA . 53787 1 42 . 1 . 1 18 18 GLU CB C 13 29.893 . . 1 . . . . . 18 GLU CB . 53787 1 43 . 1 . 1 18 18 GLU N N 15 120.510 . . 1 . . . . . 18 GLU N . 53787 1 44 . 1 . 1 19 19 ASP H H 1 8.280 . . 1 . . . . . 19 ASP H . 53787 1 45 . 1 . 1 19 19 ASP CA C 13 54.464 . . 1 . . . . . 19 ASP CA . 53787 1 46 . 1 . 1 19 19 ASP CB C 13 41.250 . . 1 . . . . . 19 ASP CB . 53787 1 47 . 1 . 1 19 19 ASP N N 15 121.095 . . 1 . . . . . 19 ASP N . 53787 1 48 . 1 . 1 20 20 GLU H H 1 8.377 . . 1 . . . . . 20 GLU H . 53787 1 49 . 1 . 1 20 20 GLU CA C 13 56.706 . . 1 . . . . . 20 GLU CA . 53787 1 50 . 1 . 1 20 20 GLU CB C 13 30.387 . . 1 . . . . . 20 GLU CB . 53787 1 51 . 1 . 1 20 20 GLU N N 15 121.437 . . 1 . . . . . 20 GLU N . 53787 1 52 . 1 . 1 21 21 ASP H H 1 8.520 . . 1 . . . . . 21 ASP H . 53787 1 53 . 1 . 1 21 21 ASP CA C 13 54.396 . . 1 . . . . . 21 ASP CA . 53787 1 54 . 1 . 1 21 21 ASP CB C 13 41.095 . . 1 . . . . . 21 ASP CB . 53787 1 55 . 1 . 1 21 21 ASP N N 15 121.767 . . 1 . . . . . 21 ASP N . 53787 1 56 . 1 . 1 22 22 SER H H 1 8.399 . . 1 . . . . . 22 SER H . 53787 1 57 . 1 . 1 22 22 SER CA C 13 58.651 . . 1 . . . . . 22 SER CA . 53787 1 58 . 1 . 1 22 22 SER CB C 13 63.758 . . 1 . . . . . 22 SER CB . 53787 1 59 . 1 . 1 22 22 SER N N 15 117.700 . . 1 . . . . . 22 SER N . 53787 1 60 . 1 . 1 23 23 SER H H 1 8.488 . . 1 . . . . . 23 SER H . 53787 1 61 . 1 . 1 23 23 SER CA C 13 58.898 . . 1 . . . . . 23 SER CA . 53787 1 62 . 1 . 1 23 23 SER CB C 13 63.751 . . 1 . . . . . 23 SER CB . 53787 1 63 . 1 . 1 23 23 SER N N 15 118.354 . . 1 . . . . . 23 SER N . 53787 1 64 . 1 . 1 24 24 LEU H H 1 8.190 . . 1 . . . . . 24 LEU H . 53787 1 65 . 1 . 1 24 24 LEU CA C 13 55.226 . . 1 . . . . . 24 LEU CA . 53787 1 66 . 1 . 1 24 24 LEU CB C 13 42.273 . . 1 . . . . . 24 LEU CB . 53787 1 67 . 1 . 1 24 24 LEU N N 15 123.848 . . 1 . . . . . 24 LEU N . 53787 1 68 . 1 . 1 25 25 ASP H H 1 8.425 . . 1 . . . . . 25 ASP H . 53787 1 69 . 1 . 1 25 25 ASP CA C 13 54.139 . . 1 . . . . . 25 ASP CA . 53787 1 70 . 1 . 1 25 25 ASP CB C 13 41.113 . . 1 . . . . . 25 ASP CB . 53787 1 71 . 1 . 1 25 25 ASP N N 15 121.757 . . 1 . . . . . 25 ASP N . 53787 1 72 . 1 . 1 26 26 GLU H H 1 8.546 . . 1 . . . . . 26 GLU H . 53787 1 73 . 1 . 1 26 26 GLU CA C 13 57.206 . . 1 . . . . . 26 GLU CA . 53787 1 74 . 1 . 1 26 26 GLU CB C 13 29.889 . . 1 . . . . . 26 GLU CB . 53787 1 75 . 1 . 1 26 26 GLU N N 15 122.165 . . 1 . . . . . 26 GLU N . 53787 1 76 . 1 . 1 27 27 SER H H 1 8.438 . . 1 . . . . . 27 SER H . 53787 1 77 . 1 . 1 27 27 SER CA C 13 59.499 . . 1 . . . . . 27 SER CA . 53787 1 78 . 1 . 1 27 27 SER CB C 13 63.640 . . 1 . . . . . 27 SER CB . 53787 1 79 . 1 . 1 27 27 SER N N 15 116.476 . . 1 . . . . . 27 SER N . 53787 1 80 . 1 . 1 28 28 ASP H H 1 8.370 . . 1 . . . . . 28 ASP H . 53787 1 81 . 1 . 1 28 28 ASP CA C 13 54.814 . . 1 . . . . . 28 ASP CA . 53787 1 82 . 1 . 1 28 28 ASP CB C 13 40.951 . . 1 . . . . . 28 ASP CB . 53787 1 83 . 1 . 1 28 28 ASP N N 15 122.584 . . 1 . . . . . 28 ASP N . 53787 1 84 . 1 . 1 29 29 LEU H H 1 8.088 . . 1 . . . . . 29 LEU H . 53787 1 85 . 1 . 1 29 29 LEU CA C 13 56.533 . . 1 . . . . . 29 LEU CA . 53787 1 86 . 1 . 1 29 29 LEU CB C 13 41.766 . . 1 . . . . . 29 LEU CB . 53787 1 87 . 1 . 1 29 29 LEU N N 15 121.663 . . 1 . . . . . 29 LEU N . 53787 1 88 . 1 . 1 30 30 TYR H H 1 8.146 . . 1 . . . . . 30 TYR H . 53787 1 89 . 1 . 1 30 30 TYR CA C 13 59.050 . . 1 . . . . . 30 TYR CA . 53787 1 90 . 1 . 1 30 30 TYR CB C 13 38.300 . . 1 . . . . . 30 TYR CB . 53787 1 91 . 1 . 1 30 30 TYR N N 15 119.391 . . 1 . . . . . 30 TYR N . 53787 1 92 . 1 . 1 31 31 SER H H 1 8.097 . . 1 . . . . . 31 SER H . 53787 1 93 . 1 . 1 31 31 SER CA C 13 59.280 . . 1 . . . . . 31 SER CA . 53787 1 94 . 1 . 1 31 31 SER CB C 13 63.500 . . 1 . . . . . 31 SER CB . 53787 1 95 . 1 . 1 31 31 SER N N 15 116.535 . . 1 . . . . . 31 SER N . 53787 1 96 . 1 . 1 32 32 LEU H H 1 8.227 . . 1 . . . . . 32 LEU H . 53787 1 97 . 1 . 1 32 32 LEU CA C 13 56.201 . . 1 . . . . . 32 LEU CA . 53787 1 98 . 1 . 1 32 32 LEU CB C 13 42.077 . . 1 . . . . . 32 LEU CB . 53787 1 99 . 1 . 1 32 32 LEU N N 15 123.503 . . 1 . . . . . 32 LEU N . 53787 1 100 . 1 . 1 33 33 ALA H H 1 8.047 . . 1 . . . . . 33 ALA H . 53787 1 101 . 1 . 1 33 33 ALA CA C 13 53.117 . . 1 . . . . . 33 ALA CA . 53787 1 102 . 1 . 1 33 33 ALA CB C 13 18.796 . . 1 . . . . . 33 ALA CB . 53787 1 103 . 1 . 1 33 33 ALA N N 15 122.183 . . 1 . . . . . 33 ALA N . 53787 1 104 . 1 . 1 34 34 HIS H H 1 8.050 . . 1 . . . . . 34 HIS H . 53787 1 105 . 1 . 1 34 34 HIS CA C 13 55.821 . . 1 . . . . . 34 HIS CA . 53787 1 106 . 1 . 1 34 34 HIS CB C 13 29.164 . . 1 . . . . . 34 HIS CB . 53787 1 107 . 1 . 1 34 34 HIS N N 15 116.398 . . 1 . . . . . 34 HIS N . 53787 1 108 . 1 . 1 35 35 SER H H 1 8.110 . . 1 . . . . . 35 SER H . 53787 1 109 . 1 . 1 35 35 SER CA C 13 58.722 . . 1 . . . . . 35 SER CA . 53787 1 110 . 1 . 1 35 35 SER CB C 13 63.612 . . 1 . . . . . 35 SER CB . 53787 1 111 . 1 . 1 35 35 SER N N 15 116.325 . . 1 . . . . . 35 SER N . 53787 1 112 . 1 . 1 36 36 TYR H H 1 8.273 . . 1 . . . . . 36 TYR H . 53787 1 113 . 1 . 1 36 36 TYR CA C 13 58.331 . . 1 . . . . . 36 TYR CA . 53787 1 114 . 1 . 1 36 36 TYR CB C 13 38.408 . . 1 . . . . . 36 TYR CB . 53787 1 115 . 1 . 1 36 36 TYR N N 15 122.290 . . 1 . . . . . 36 TYR N . 53787 1 116 . 1 . 1 37 37 LEU H H 1 8.227 . . 1 . . . . . 37 LEU H . 53787 1 117 . 1 . 1 37 37 LEU CA C 13 55.279 . . 1 . . . . . 37 LEU CA . 53787 1 118 . 1 . 1 37 37 LEU CB C 13 42.151 . . 1 . . . . . 37 LEU CB . 53787 1 119 . 1 . 1 37 37 LEU N N 15 123.886 . . 1 . . . . . 37 LEU N . 53787 1 120 . 1 . 1 38 38 GLY H H 1 7.965 . . 1 . . . . . 38 GLY H . 53787 1 121 . 1 . 1 38 38 GLY CA C 13 45.445 . . 1 . . . . . 38 GLY CA . 53787 1 122 . 1 . 1 38 38 GLY N N 15 108.914 . . 1 . . . . . 38 GLY N . 53787 1 123 . 1 . 1 39 39 GLY H H 1 8.312 . . 1 . . . . . 39 GLY H . 53787 1 124 . 1 . 1 39 39 GLY CA C 13 45.368 . . 1 . . . . . 39 GLY CA . 53787 1 125 . 1 . 1 39 39 GLY N N 15 108.863 . . 1 . . . . . 39 GLY N . 53787 1 126 . 1 . 1 40 40 GLY H H 1 8.451 . . 1 . . . . . 40 GLY H . 53787 1 127 . 1 . 1 40 40 GLY CA C 13 45.388 . . 1 . . . . . 40 GLY CA . 53787 1 128 . 1 . 1 40 40 GLY N N 15 109.034 . . 1 . . . . . 40 GLY N . 53787 1 129 . 1 . 1 41 41 GLY H H 1 8.380 . . 1 . . . . . 41 GLY H . 53787 1 130 . 1 . 1 41 41 GLY CA C 13 45.278 . . 1 . . . . . 41 GLY CA . 53787 1 131 . 1 . 1 41 41 GLY N N 15 108.858 . . 1 . . . . . 41 GLY N . 53787 1 132 . 1 . 1 42 42 ARG H H 1 8.290 . . 1 . . . . . 42 ARG H . 53787 1 133 . 1 . 1 42 42 ARG CA C 13 56.430 . . 1 . . . . . 42 ARG CA . 53787 1 134 . 1 . 1 42 42 ARG CB C 13 30.692 . . 1 . . . . . 42 ARG CB . 53787 1 135 . 1 . 1 42 42 ARG N N 15 120.775 . . 1 . . . . . 42 ARG N . 53787 1 136 . 1 . 1 43 43 LYS H H 1 8.505 . . 1 . . . . . 43 LYS H . 53787 1 137 . 1 . 1 43 43 LYS CA C 13 56.806 . . 1 . . . . . 43 LYS CA . 53787 1 138 . 1 . 1 43 43 LYS CB C 13 32.850 . . 1 . . . . . 43 LYS CB . 53787 1 139 . 1 . 1 43 43 LYS N N 15 122.407 . . 1 . . . . . 43 LYS N . 53787 1 140 . 1 . 1 44 44 GLY H H 1 8.434 . . 1 . . . . . 44 GLY H . 53787 1 141 . 1 . 1 44 44 GLY CA C 13 45.238 . . 1 . . . . . 44 GLY CA . 53787 1 142 . 1 . 1 44 44 GLY N N 15 110.070 . . 1 . . . . . 44 GLY N . 53787 1 143 . 1 . 1 45 45 ARG H H 1 8.251 . . 1 . . . . . 45 ARG H . 53787 1 144 . 1 . 1 45 45 ARG CA C 13 56.335 . . 1 . . . . . 45 ARG CA . 53787 1 145 . 1 . 1 45 45 ARG CB C 13 30.937 . . 1 . . . . . 45 ARG CB . 53787 1 146 . 1 . 1 45 45 ARG N N 15 120.823 . . 1 . . . . . 45 ARG N . 53787 1 147 . 1 . 1 46 46 THR H H 1 8.348 . . 1 . . . . . 46 THR H . 53787 1 148 . 1 . 1 46 46 THR CA C 13 62.207 . . 1 . . . . . 46 THR CA . 53787 1 149 . 1 . 1 46 46 THR CB C 13 70.031 . . 1 . . . . . 46 THR CB . 53787 1 150 . 1 . 1 46 46 THR N N 15 115.864 . . 1 . . . . . 46 THR N . 53787 1 151 . 1 . 1 47 47 LYS H H 1 8.470 . . 1 . . . . . 47 LYS H . 53787 1 152 . 1 . 1 47 47 LYS CA C 13 56.955 . . 1 . . . . . 47 LYS CA . 53787 1 153 . 1 . 1 47 47 LYS CB C 13 32.917 . . 1 . . . . . 47 LYS CB . 53787 1 154 . 1 . 1 47 47 LYS N N 15 124.126 . . 1 . . . . . 47 LYS N . 53787 1 155 . 1 . 1 48 48 ARG H H 1 8.415 . . 1 . . . . . 48 ARG H . 53787 1 156 . 1 . 1 48 48 ARG CA C 13 56.512 . . 1 . . . . . 48 ARG CA . 53787 1 157 . 1 . 1 48 48 ARG CB C 13 30.658 . . 1 . . . . . 48 ARG CB . 53787 1 158 . 1 . 1 48 48 ARG N N 15 122.430 . . 1 . . . . . 48 ARG N . 53787 1 159 . 1 . 1 49 49 GLU H H 1 8.467 . . 1 . . . . . 49 GLU H . 53787 1 160 . 1 . 1 49 49 GLU CA C 13 56.682 . . 1 . . . . . 49 GLU CA . 53787 1 161 . 1 . 1 49 49 GLU CB C 13 30.230 . . 1 . . . . . 49 GLU CB . 53787 1 162 . 1 . 1 49 49 GLU N N 15 122.434 . . 1 . . . . . 49 GLU N . 53787 1 163 . 1 . 1 50 50 ALA H H 1 8.390 . . 1 . . . . . 50 ALA H . 53787 1 164 . 1 . 1 50 50 ALA CA C 13 52.837 . . 1 . . . . . 50 ALA CA . 53787 1 165 . 1 . 1 50 50 ALA CB C 13 19.008 . . 1 . . . . . 50 ALA CB . 53787 1 166 . 1 . 1 50 50 ALA N N 15 125.075 . . 1 . . . . . 50 ALA N . 53787 1 167 . 1 . 1 51 51 ALA H H 1 8.267 . . 1 . . . . . 51 ALA H . 53787 1 168 . 1 . 1 51 51 ALA CA C 13 52.722 . . 1 . . . . . 51 ALA CA . 53787 1 169 . 1 . 1 51 51 ALA CB C 13 18.890 . . 1 . . . . . 51 ALA CB . 53787 1 170 . 1 . 1 51 51 ALA N N 15 123.098 . . 1 . . . . . 51 ALA N . 53787 1 171 . 1 . 1 52 52 ALA H H 1 8.239 . . 1 . . . . . 52 ALA H . 53787 1 172 . 1 . 1 52 52 ALA CA C 13 52.678 . . 1 . . . . . 52 ALA CA . 53787 1 173 . 1 . 1 52 52 ALA CB C 13 19.204 . . 1 . . . . . 52 ALA CB . 53787 1 174 . 1 . 1 52 52 ALA N N 15 122.848 . . 1 . . . . . 52 ALA N . 53787 1 175 . 1 . 1 53 53 ASN H H 1 8.402 . . 1 . . . . . 53 ASN H . 53787 1 176 . 1 . 1 53 53 ASN CA C 13 53.176 . . 1 . . . . . 53 ASN CA . 53787 1 177 . 1 . 1 53 53 ASN CB C 13 38.689 . . 1 . . . . . 53 ASN CB . 53787 1 178 . 1 . 1 53 53 ASN N N 15 117.699 . . 1 . . . . . 53 ASN N . 53787 1 179 . 1 . 1 54 54 THR H H 1 8.136 . . 1 . . . . . 54 THR H . 53787 1 180 . 1 . 1 54 54 THR CA C 13 62.074 . . 1 . . . . . 54 THR CA . 53787 1 181 . 1 . 1 54 54 THR CB C 13 69.625 . . 1 . . . . . 54 THR CB . 53787 1 182 . 1 . 1 54 54 THR N N 15 114.043 . . 1 . . . . . 54 THR N . 53787 1 183 . 1 . 1 55 55 ASN H H 1 8.486 . . 1 . . . . . 55 ASN H . 53787 1 184 . 1 . 1 55 55 ASN CA C 13 53.288 . . 1 . . . . . 55 ASN CA . 53787 1 185 . 1 . 1 55 55 ASN CB C 13 38.754 . . 1 . . . . . 55 ASN CB . 53787 1 186 . 1 . 1 55 55 ASN N N 15 120.984 . . 1 . . . . . 55 ASN N . 53787 1 187 . 1 . 1 56 56 ARG H H 1 8.262 . . 1 . . . . . 56 ARG H . 53787 1 188 . 1 . 1 56 56 ARG CA C 13 53.825 . . 1 . . . . . 56 ARG CA . 53787 1 189 . 1 . 1 56 56 ARG CB C 13 30.086 . . 1 . . . . . 56 ARG CB . 53787 1 190 . 1 . 1 56 56 ARG N N 15 122.527 . . 1 . . . . . 56 ARG N . 53787 1 191 . 1 . 1 58 58 SER H H 1 8.630 . . 1 . . . . . 58 SER H . 53787 1 192 . 1 . 1 58 58 SER CA C 13 56.410 . . 1 . . . . . 58 SER CA . 53787 1 193 . 1 . 1 58 58 SER CB C 13 63.740 . . 1 . . . . . 58 SER CB . 53787 1 194 . 1 . 1 58 58 SER N N 15 118.129 . . 1 . . . . . 58 SER N . 53787 1 195 . 1 . 1 60 60 GLY H H 1 8.563 . . 1 . . . . . 60 GLY H . 53787 1 196 . 1 . 1 60 60 GLY CA C 13 45.245 . . 1 . . . . . 60 GLY CA . 53787 1 197 . 1 . 1 60 60 GLY N N 15 109.566 . . 1 . . . . . 60 GLY N . 53787 1 198 . 1 . 1 61 61 GLY H H 1 8.325 . . 1 . . . . . 61 GLY H . 53787 1 199 . 1 . 1 61 61 GLY CA C 13 45.324 . . 1 . . . . . 61 GLY CA . 53787 1 200 . 1 . 1 61 61 GLY N N 15 108.801 . . 1 . . . . . 61 GLY N . 53787 1 201 . 1 . 1 62 62 HIS H H 1 8.415 . . 1 . . . . . 62 HIS H . 53787 1 202 . 1 . 1 62 62 HIS CA C 13 55.749 . . 1 . . . . . 62 HIS CA . 53787 1 203 . 1 . 1 62 62 HIS CB C 13 29.732 . . 1 . . . . . 62 HIS CB . 53787 1 204 . 1 . 1 62 62 HIS N N 15 118.597 . . 1 . . . . . 62 HIS N . 53787 1 205 . 1 . 1 63 63 GLU H H 1 8.620 . . 1 . . . . . 63 GLU H . 53787 1 206 . 1 . 1 63 63 GLU CA C 13 56.879 . . 1 . . . . . 63 GLU CA . 53787 1 207 . 1 . 1 63 63 GLU CB C 13 30.000 . . 1 . . . . . 63 GLU CB . 53787 1 208 . 1 . 1 63 63 GLU N N 15 122.195 . . 1 . . . . . 63 GLU N . 53787 1 209 . 1 . 1 64 64 ARG H H 1 8.488 . . 1 . . . . . 64 ARG H . 53787 1 210 . 1 . 1 64 64 ARG CA C 13 56.257 . . 1 . . . . . 64 ARG CA . 53787 1 211 . 1 . 1 64 64 ARG CB C 13 30.628 . . 1 . . . . . 64 ARG CB . 53787 1 212 . 1 . 1 64 64 ARG N N 15 122.900 . . 1 . . . . . 64 ARG N . 53787 1 213 . 1 . 1 65 65 LYS H H 1 8.434 . . 1 . . . . . 65 LYS H . 53787 1 214 . 1 . 1 65 65 LYS CA C 13 56.369 . . 1 . . . . . 65 LYS CA . 53787 1 215 . 1 . 1 65 65 LYS CB C 13 32.976 . . 1 . . . . . 65 LYS CB . 53787 1 216 . 1 . 1 65 65 LYS N N 15 123.407 . . 1 . . . . . 65 LYS N . 53787 1 217 . 1 . 1 66 66 LEU H H 1 8.366 . . 1 . . . . . 66 LEU H . 53787 1 218 . 1 . 1 66 66 LEU CA C 13 55.271 . . 1 . . . . . 66 LEU CA . 53787 1 219 . 1 . 1 66 66 LEU CB C 13 42.070 . . 1 . . . . . 66 LEU CB . 53787 1 220 . 1 . 1 66 66 LEU N N 15 124.312 . . 1 . . . . . 66 LEU N . 53787 1 221 . 1 . 1 67 67 VAL H H 1 8.284 . . 1 . . . . . 67 VAL H . 53787 1 222 . 1 . 1 67 67 VAL CA C 13 62.495 . . 1 . . . . . 67 VAL CA . 53787 1 223 . 1 . 1 67 67 VAL CB C 13 32.908 . . 1 . . . . . 67 VAL CB . 53787 1 224 . 1 . 1 67 67 VAL N N 15 122.474 . . 1 . . . . . 67 VAL N . 53787 1 225 . 1 . 1 68 68 THR H H 1 8.303 . . 1 . . . . . 68 THR H . 53787 1 226 . 1 . 1 68 68 THR CA C 13 62.197 . . 1 . . . . . 68 THR CA . 53787 1 227 . 1 . 1 68 68 THR CB C 13 69.899 . . 1 . . . . . 68 THR CB . 53787 1 228 . 1 . 1 68 68 THR N N 15 119.162 . . 1 . . . . . 68 THR N . 53787 1 229 . 1 . 1 69 69 LYS H H 1 8.412 . . 1 . . . . . 69 LYS H . 53787 1 230 . 1 . 1 69 69 LYS CA C 13 56.955 . . 1 . . . . . 69 LYS CA . 53787 1 231 . 1 . 1 69 69 LYS CB C 13 32.917 . . 1 . . . . . 69 LYS CB . 53787 1 232 . 1 . 1 69 69 LYS N N 15 124.243 . . 1 . . . . . 69 LYS N . 53787 1 233 . 1 . 1 70 70 LEU H H 1 8.348 . . 1 . . . . . 70 LEU H . 53787 1 234 . 1 . 1 70 70 LEU CA C 13 55.453 . . 1 . . . . . 70 LEU CA . 53787 1 235 . 1 . 1 70 70 LEU CB C 13 42.292 . . 1 . . . . . 70 LEU CB . 53787 1 236 . 1 . 1 70 70 LEU N N 15 123.631 . . 1 . . . . . 70 LEU N . 53787 1 237 . 1 . 1 71 71 GLN H H 1 8.480 . . 1 . . . . . 71 GLN H . 53787 1 238 . 1 . 1 71 71 GLN CA C 13 56.113 . . 1 . . . . . 71 GLN CA . 53787 1 239 . 1 . 1 71 71 GLN CB C 13 29.326 . . 1 . . . . . 71 GLN CB . 53787 1 240 . 1 . 1 71 71 GLN N N 15 121.334 . . 1 . . . . . 71 GLN N . 53787 1 241 . 1 . 1 72 72 ASN H H 1 8.579 . . 1 . . . . . 72 ASN H . 53787 1 242 . 1 . 1 72 72 ASN CA C 13 53.833 . . 1 . . . . . 72 ASN CA . 53787 1 243 . 1 . 1 72 72 ASN CB C 13 38.775 . . 1 . . . . . 72 ASN CB . 53787 1 244 . 1 . 1 72 72 ASN N N 15 120.171 . . 1 . . . . . 72 ASN N . 53787 1 245 . 1 . 1 73 73 SER H H 1 8.408 . . 1 . . . . . 73 SER H . 53787 1 246 . 1 . 1 73 73 SER CA C 13 59.283 . . 1 . . . . . 73 SER CA . 53787 1 247 . 1 . 1 73 73 SER CB C 13 63.579 . . 1 . . . . . 73 SER CB . 53787 1 248 . 1 . 1 73 73 SER N N 15 116.453 . . 1 . . . . . 73 SER N . 53787 1 249 . 1 . 1 74 74 GLU H H 1 8.405 . . 1 . . . . . 74 GLU H . 53787 1 250 . 1 . 1 74 74 GLU CA C 13 56.977 . . 1 . . . . . 74 GLU CA . 53787 1 251 . 1 . 1 74 74 GLU CB C 13 29.939 . . 1 . . . . . 74 GLU CB . 53787 1 252 . 1 . 1 74 74 GLU N N 15 122.617 . . 1 . . . . . 74 GLU N . 53787 1 253 . 1 . 1 75 75 ARG H H 1 8.255 . . 1 . . . . . 75 ARG H . 53787 1 254 . 1 . 1 75 75 ARG CA C 13 56.856 . . 1 . . . . . 75 ARG CA . 53787 1 255 . 1 . 1 75 75 ARG CB C 13 30.271 . . 1 . . . . . 75 ARG CB . 53787 1 256 . 1 . 1 75 75 ARG N N 15 121.736 . . 1 . . . . . 75 ARG N . 53787 1 257 . 1 . 1 76 76 LYS H H 1 8.284 . . 1 . . . . . 76 LYS H . 53787 1 258 . 1 . 1 76 76 LYS CA C 13 56.649 . . 1 . . . . . 76 LYS CA . 53787 1 259 . 1 . 1 76 76 LYS CB C 13 32.822 . . 1 . . . . . 76 LYS CB . 53787 1 260 . 1 . 1 76 76 LYS N N 15 122.160 . . 1 . . . . . 76 LYS N . 53787 1 261 . 1 . 1 77 77 LYS H H 1 8.303 . . 1 . . . . . 77 LYS H . 53787 1 262 . 1 . 1 77 77 LYS CA C 13 56.634 . . 1 . . . . . 77 LYS CA . 53787 1 263 . 1 . 1 77 77 LYS CB C 13 32.852 . . 1 . . . . . 77 LYS CB . 53787 1 264 . 1 . 1 77 77 LYS N N 15 122.514 . . 1 . . . . . 77 LYS N . 53787 1 265 . 1 . 1 78 78 ARG H H 1 8.438 . . 1 . . . . . 78 ARG H . 53787 1 266 . 1 . 1 78 78 ARG CA C 13 56.783 . . 1 . . . . . 78 ARG CA . 53787 1 267 . 1 . 1 78 78 ARG CB C 13 30.652 . . 1 . . . . . 78 ARG CB . 53787 1 268 . 1 . 1 78 78 ARG N N 15 122.746 . . 1 . . . . . 78 ARG N . 53787 1 269 . 1 . 1 79 79 GLY H H 1 8.456 . . 1 . . . . . 79 GLY H . 53787 1 270 . 1 . 1 79 79 GLY CA C 13 45.160 . . 1 . . . . . 79 GLY CA . 53787 1 271 . 1 . 1 79 79 GLY N N 15 110.293 . . 1 . . . . . 79 GLY N . 53787 1 272 . 1 . 1 80 80 ALA H H 1 8.194 . . 1 . . . . . 80 ALA H . 53787 1 273 . 1 . 1 80 80 ALA CA C 13 52.490 . . 1 . . . . . 80 ALA CA . 53787 1 274 . 1 . 1 80 80 ALA CB C 13 19.440 . . 1 . . . . . 80 ALA CB . 53787 1 275 . 1 . 1 80 80 ALA N N 15 123.837 . . 1 . . . . . 80 ALA N . 53787 1 276 . 1 . 1 81 81 ARG H H 1 8.402 . . 1 . . . . . 81 ARG H . 53787 1 277 . 1 . 1 81 81 ARG CA C 13 56.196 . . 1 . . . . . 81 ARG CA . 53787 1 278 . 1 . 1 81 81 ARG CB C 13 30.686 . . 1 . . . . . 81 ARG CB . 53787 1 279 . 1 . 1 81 81 ARG N N 15 120.967 . . 1 . . . . . 81 ARG N . 53787 1 280 . 1 . 1 82 82 ARG H H 1 8.084 . . 1 . . . . . 82 ARG H . 53787 1 281 . 1 . 1 82 82 ARG CA C 13 57.488 . . 1 . . . . . 82 ARG CA . 53787 1 282 . 1 . 1 82 82 ARG CB C 13 31.279 . . 1 . . . . . 82 ARG CB . 53787 1 283 . 1 . 1 82 82 ARG N N 15 127.751 . . 1 . . . . . 82 ARG N . 53787 1 stop_ save_