################################### # 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_DND1-RRM2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1_DND1-RRM2 _Assigned_chem_shift_list.Entry_ID 50151 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name DND1-RRM2 _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_DSS _Assigned_chem_shift_list.Chem_shift_1H_err 0.020 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 50151 1 2 '3D CBCA(CO)NH' . . . 50151 1 4 '3D HNCO' . . . 50151 1 5 '3D HNCACB' . . . 50151 1 6 '3D HNCA' . . . 50151 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_TOPSPIN . . 50151 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 21 21 MET H H 1 8.876 0.020 . 1 . . . . . 21 MET H . 50151 1 2 . 1 . 1 21 21 MET C C 13 174.084 0.3 . 1 . . . . . 21 MET C . 50151 1 3 . 1 . 1 21 21 MET CA C 13 55.259 0.3 . 1 . . . . . 21 MET CA . 50151 1 4 . 1 . 1 21 21 MET CB C 13 34.130 0.3 . 1 . . . . . 21 MET CB . 50151 1 5 . 1 . 1 21 21 MET N N 15 117.517 0.3 . 1 . . . . . 21 MET N . 50151 1 6 . 1 . 1 22 22 GLU H H 1 8.255 0.020 . 1 . . . . . 22 GLU H . 50151 1 7 . 1 . 1 22 22 GLU C C 13 175.227 0.3 . 1 . . . . . 22 GLU C . 50151 1 8 . 1 . 1 22 22 GLU CA C 13 54.654 0.3 . 1 . . . . . 22 GLU CA . 50151 1 9 . 1 . 1 22 22 GLU CB C 13 34.101 0.3 . 1 . . . . . 22 GLU CB . 50151 1 10 . 1 . 1 22 22 GLU N N 15 118.756 0.3 . 1 . . . . . 22 GLU N . 50151 1 11 . 1 . 1 23 23 LEU H H 1 9.076 0.020 . 1 . . . . . 23 LEU H . 50151 1 12 . 1 . 1 23 23 LEU C C 13 175.073 0.3 . 1 . . . . . 23 LEU C . 50151 1 13 . 1 . 1 23 23 LEU CA C 13 52.418 0.3 . 1 . . . . . 23 LEU CA . 50151 1 14 . 1 . 1 23 23 LEU CB C 13 46.833 0.3 . 1 . . . . . 23 LEU CB . 50151 1 15 . 1 . 1 23 23 LEU N N 15 121.218 0.3 . 1 . . . . . 23 LEU N . 50151 1 16 . 1 . 1 24 24 SER H H 1 9.403 0.020 . 1 . . . . . 24 SER H . 50151 1 17 . 1 . 1 24 24 SER C C 13 173.657 0.3 . 1 . . . . . 24 SER C . 50151 1 18 . 1 . 1 24 24 SER CA C 13 55.470 0.3 . 1 . . . . . 24 SER CA . 50151 1 19 . 1 . 1 24 24 SER CB C 13 65.968 0.3 . 1 . . . . . 24 SER CB . 50151 1 20 . 1 . 1 24 24 SER N N 15 115.178 0.3 . 1 . . . . . 24 SER N . 50151 1 21 . 1 . 1 25 25 VAL H H 1 9.134 0.020 . 1 . . . . . 25 VAL H . 50151 1 22 . 1 . 1 25 25 VAL C C 13 173.555 0.3 . 1 . . . . . 25 VAL C . 50151 1 23 . 1 . 1 25 25 VAL CA C 13 60.638 0.3 . 1 . . . . . 25 VAL CA . 50151 1 24 . 1 . 1 25 25 VAL CB C 13 33.039 0.3 . 1 . . . . . 25 VAL CB . 50151 1 25 . 1 . 1 25 25 VAL N N 15 123.249 0.3 . 1 . . . . . 25 VAL N . 50151 1 26 . 1 . 1 26 26 ASP H H 1 9.019 0.020 . 1 . . . . . 26 ASP H . 50151 1 27 . 1 . 1 26 26 ASP C C 13 176.387 0.3 . 1 . . . . . 26 ASP C . 50151 1 28 . 1 . 1 26 26 ASP CA C 13 51.965 0.3 . 1 . . . . . 26 ASP CA . 50151 1 29 . 1 . 1 26 26 ASP CB C 13 43.048 0.3 . 1 . . . . . 26 ASP CB . 50151 1 30 . 1 . 1 26 26 ASP N N 15 126.011 0.3 . 1 . . . . . 26 ASP N . 50151 1 31 . 1 . 1 27 27 GLY H H 1 8.493 0.020 . 1 . . . . . 27 GLY H . 50151 1 32 . 1 . 1 27 27 GLY C C 13 175.346 0.3 . 1 . . . . . 27 GLY C . 50151 1 33 . 1 . 1 27 27 GLY CA C 13 44.740 0.3 . 1 . . . . . 27 GLY CA . 50151 1 34 . 1 . 1 27 27 GLY N N 15 108.732 0.3 . 1 . . . . . 27 GLY N . 50151 1 35 . 1 . 1 28 28 LEU H H 1 8.138 0.020 . 1 . . . . . 28 LEU H . 50151 1 36 . 1 . 1 28 28 LEU C C 13 174.184 0.3 . 1 . . . . . 28 LEU C . 50151 1 37 . 1 . 1 28 28 LEU CA C 13 52.629 0.3 . 1 . . . . . 28 LEU CA . 50151 1 38 . 1 . 1 28 28 LEU CB C 13 39.198 0.3 . 1 . . . . . 28 LEU CB . 50151 1 39 . 1 . 1 28 28 LEU N N 15 119.822 0.3 . 1 . . . . . 28 LEU N . 50151 1 40 . 1 . 1 32 32 LEU H H 1 6.776 0.020 . 1 . . . . . 32 LEU H . 50151 1 41 . 1 . 1 32 32 LEU C C 13 175.995 0.3 . 1 . . . . . 32 LEU C . 50151 1 42 . 1 . 1 32 32 LEU CA C 13 55.198 0.3 . 1 . . . . . 32 LEU CA . 50151 1 43 . 1 . 1 32 32 LEU CB C 13 42.920 0.3 . 1 . . . . . 32 LEU CB . 50151 1 44 . 1 . 1 32 32 LEU N N 15 122.498 0.3 . 1 . . . . . 32 LEU N . 50151 1 45 . 1 . 1 33 33 THR H H 1 7.763 0.020 . 1 . . . . . 33 THR H . 50151 1 46 . 1 . 1 33 33 THR C C 13 174.852 0.3 . 1 . . . . . 33 THR C . 50151 1 47 . 1 . 1 33 33 THR CA C 13 59.368 0.3 . 1 . . . . . 33 THR CA . 50151 1 48 . 1 . 1 33 33 THR CB C 13 71.165 0.3 . 1 . . . . . 33 THR CB . 50151 1 49 . 1 . 1 33 33 THR N N 15 116.671 0.3 . 1 . . . . . 33 THR N . 50151 1 50 . 1 . 1 34 34 ARG H H 1 9.061 0.020 . 1 . . . . . 34 ARG H . 50151 1 51 . 1 . 1 34 34 ARG C C 13 177.753 0.3 . 1 . . . . . 34 ARG C . 50151 1 52 . 1 . 1 34 34 ARG CA C 13 59.701 0.3 . 1 . . . . . 34 ARG CA . 50151 1 53 . 1 . 1 34 34 ARG CB C 13 28.869 0.3 . 1 . . . . . 34 ARG CB . 50151 1 54 . 1 . 1 34 34 ARG N N 15 122.312 0.3 . 1 . . . . . 34 ARG N . 50151 1 55 . 1 . 1 35 35 SER H H 1 8.545 0.020 . 1 . . . . . 35 SER H . 50151 1 56 . 1 . 1 35 35 SER C C 13 177.753 0.3 . 1 . . . . . 35 SER C . 50151 1 57 . 1 . 1 35 35 SER CA C 13 61.574 0.3 . 1 . . . . . 35 SER CA . 50151 1 58 . 1 . 1 35 35 SER N N 15 112.832 0.3 . 1 . . . . . 35 SER N . 50151 1 59 . 1 . 1 36 36 ALA H H 1 7.695 0.020 . 1 . . . . . 36 ALA H . 50151 1 60 . 1 . 1 36 36 ALA C C 13 180.705 0.3 . 1 . . . . . 36 ALA C . 50151 1 61 . 1 . 1 36 36 ALA CA C 13 54.533 0.3 . 1 . . . . . 36 ALA CA . 50151 1 62 . 1 . 1 36 36 ALA CB C 13 18.219 0.3 . 1 . . . . . 36 ALA CB . 50151 1 63 . 1 . 1 36 36 ALA N N 15 125.026 0.3 . 1 . . . . . 36 ALA N . 50151 1 64 . 1 . 1 37 37 LEU H H 1 8.265 0.020 . 1 . . . . . 37 LEU H . 50151 1 65 . 1 . 1 37 37 LEU C C 13 177.343 0.3 . 1 . . . . . 37 LEU C . 50151 1 66 . 1 . 1 37 37 LEU CA C 13 57.767 0.3 . 1 . . . . . 37 LEU CA . 50151 1 67 . 1 . 1 37 37 LEU CB C 13 40.417 0.3 . 1 . . . . . 37 LEU CB . 50151 1 68 . 1 . 1 37 37 LEU N N 15 121.566 0.3 . 1 . . . . . 37 LEU N . 50151 1 69 . 1 . 1 38 38 LEU H H 1 8.334 0.020 . 1 . . . . . 38 LEU H . 50151 1 70 . 1 . 1 38 38 LEU C C 13 180.534 0.3 . 1 . . . . . 38 LEU C . 50151 1 71 . 1 . 1 38 38 LEU CA C 13 57.828 0.3 . 1 . . . . . 38 LEU CA . 50151 1 72 . 1 . 1 38 38 LEU CB C 13 40.319 0.3 . 1 . . . . . 38 LEU CB . 50151 1 73 . 1 . 1 38 38 LEU N N 15 117.033 0.3 . 1 . . . . . 38 LEU N . 50151 1 74 . 1 . 1 39 39 LEU H H 1 7.608 0.020 . 1 . . . . . 39 LEU H . 50151 1 75 . 1 . 1 39 39 LEU C C 13 179.749 0.3 . 1 . . . . . 39 LEU C . 50151 1 76 . 1 . 1 39 39 LEU CA C 13 57.737 0.3 . 1 . . . . . 39 LEU CA . 50151 1 77 . 1 . 1 39 39 LEU CB C 13 41.340 0.3 . 1 . . . . . 39 LEU CB . 50151 1 78 . 1 . 1 39 39 LEU N N 15 119.363 0.3 . 1 . . . . . 39 LEU N . 50151 1 79 . 1 . 1 40 40 ALA H H 1 7.723 0.020 . 1 . . . . . 40 ALA H . 50151 1 80 . 1 . 1 40 40 ALA C C 13 178.572 0.3 . 1 . . . . . 40 ALA C . 50151 1 81 . 1 . 1 40 40 ALA CA C 13 53.748 0.3 . 1 . . . . . 40 ALA CA . 50151 1 82 . 1 . 1 40 40 ALA CB C 13 18.153 0.3 . 1 . . . . . 40 ALA CB . 50151 1 83 . 1 . 1 40 40 ALA N N 15 121.576 0.3 . 1 . . . . . 40 ALA N . 50151 1 84 . 1 . 1 41 41 LEU H H 1 7.615 0.020 . 1 . . . . . 41 LEU H . 50151 1 85 . 1 . 1 41 41 LEU C C 13 177.940 0.3 . 1 . . . . . 41 LEU C . 50151 1 86 . 1 . 1 41 41 LEU CA C 13 53.868 0.3 . 1 . . . . . 41 LEU CA . 50151 1 87 . 1 . 1 41 41 LEU CB C 13 41.468 0.3 . 1 . . . . . 41 LEU CB . 50151 1 88 . 1 . 1 41 41 LEU N N 15 113.156 0.3 . 1 . . . . . 41 LEU N . 50151 1 89 . 1 . 1 42 42 GLN H H 1 7.592 0.020 . 1 . . . . . 42 GLN H . 50151 1 90 . 1 . 1 42 42 GLN C C 13 175.210 0.3 . 1 . . . . . 42 GLN C . 50151 1 91 . 1 . 1 42 42 GLN CA C 13 60.396 0.3 . 1 . . . . . 42 GLN CA . 50151 1 92 . 1 . 1 42 42 GLN CB C 13 26.070 0.3 . 1 . . . . . 42 GLN CB . 50151 1 93 . 1 . 1 42 42 GLN N N 15 123.496 0.3 . 1 . . . . . 42 GLN N . 50151 1 94 . 1 . 1 44 44 LEU H H 1 7.783 0.020 . 1 . . . . . 44 LEU H . 50151 1 95 . 1 . 1 44 44 LEU C C 13 177.923 0.3 . 1 . . . . . 44 LEU C . 50151 1 96 . 1 . 1 44 44 LEU CA C 13 55.712 0.3 . 1 . . . . . 44 LEU CA . 50151 1 97 . 1 . 1 44 44 LEU CB C 13 41.010 0.3 . 1 . . . . . 44 LEU CB . 50151 1 98 . 1 . 1 44 44 LEU N N 15 114.835 0.3 . 1 . . . . . 44 LEU N . 50151 1 99 . 1 . 1 45 45 GLY H H 1 7.652 0.020 . 1 . . . . . 45 GLY H . 50151 1 100 . 1 . 1 45 45 GLY C C 13 172.138 0.3 . 1 . . . . . 45 GLY C . 50151 1 101 . 1 . 1 45 45 GLY CA C 13 44.652 0.3 . 1 . . . . . 45 GLY CA . 50151 1 102 . 1 . 1 45 45 GLY N N 15 104.639 0.3 . 1 . . . . . 45 GLY N . 50151 1 103 . 1 . 1 47 47 GLY H H 1 8.277 0.020 . 1 . . . . . 47 GLY H . 50151 1 104 . 1 . 1 47 47 GLY C C 13 172.514 0.3 . 1 . . . . . 47 GLY C . 50151 1 105 . 1 . 1 47 47 GLY CA C 13 44.740 0.3 . 1 . . . . . 47 GLY CA . 50151 1 106 . 1 . 1 47 47 GLY N N 15 108.478 0.3 . 1 . . . . . 47 GLY N . 50151 1 107 . 1 . 1 48 48 LEU H H 1 7.711 0.020 . 1 . . . . . 48 LEU H . 50151 1 108 . 1 . 1 48 48 LEU C C 13 175.227 0.3 . 1 . . . . . 48 LEU C . 50151 1 109 . 1 . 1 48 48 LEU CA C 13 55.583 0.3 . 1 . . . . . 48 LEU CA . 50151 1 110 . 1 . 1 48 48 LEU CB C 13 40.546 0.3 . 1 . . . . . 48 LEU CB . 50151 1 111 . 1 . 1 48 48 LEU N N 15 122.440 0.3 . 1 . . . . . 48 LEU N . 50151 1 112 . 1 . 1 49 49 GLN H H 1 9.105 0.020 . 1 . . . . . 49 GLN H . 50151 1 113 . 1 . 1 49 49 GLN C C 13 175.568 0.3 . 1 . . . . . 49 GLN C . 50151 1 114 . 1 . 1 49 49 GLN CA C 13 56.014 0.3 . 1 . . . . . 49 GLN CA . 50151 1 115 . 1 . 1 49 49 GLN CB C 13 30.858 0.3 . 1 . . . . . 49 GLN CB . 50151 1 116 . 1 . 1 49 49 GLN N N 15 127.917 0.3 . 1 . . . . . 49 GLN N . 50151 1 117 . 1 . 1 50 50 GLU H H 1 7.590 0.020 . 1 . . . . . 50 GLU H . 50151 1 118 . 1 . 1 50 50 GLU C C 13 172.855 0.3 . 1 . . . . . 50 GLU C . 50151 1 119 . 1 . 1 50 50 GLU CA C 13 54.881 0.3 . 1 . . . . . 50 GLU CA . 50151 1 120 . 1 . 1 50 50 GLU CB C 13 33.504 0.3 . 1 . . . . . 50 GLU CB . 50151 1 121 . 1 . 1 50 50 GLU N N 15 116.230 0.3 . 1 . . . . . 50 GLU N . 50151 1 122 . 1 . 1 51 51 ALA H H 1 8.800 0.020 . 1 . . . . . 51 ALA H . 50151 1 123 . 1 . 1 51 51 ALA C C 13 175.159 0.3 . 1 . . . . . 51 ALA C . 50151 1 124 . 1 . 1 51 51 ALA CA C 13 50.303 0.3 . 1 . . . . . 51 ALA CA . 50151 1 125 . 1 . 1 51 51 ALA CB C 13 21.876 0.3 . 1 . . . . . 51 ALA CB . 50151 1 126 . 1 . 1 51 51 ALA N N 15 124.943 0.3 . 1 . . . . . 51 ALA N . 50151 1 127 . 1 . 1 52 52 ARG H H 1 8.560 0.020 . 1 . . . . . 52 ARG H . 50151 1 128 . 1 . 1 52 52 ARG C C 13 173.793 0.3 . 1 . . . . . 52 ARG C . 50151 1 129 . 1 . 1 52 52 ARG CA C 13 54.322 0.3 . 1 . . . . . 52 ARG CA . 50151 1 130 . 1 . 1 52 52 ARG CB C 13 33.232 0.3 . 1 . . . . . 52 ARG CB . 50151 1 131 . 1 . 1 52 52 ARG N N 15 121.308 0.3 . 1 . . . . . 52 ARG N . 50151 1 132 . 1 . 1 53 53 LEU H H 1 8.588 0.020 . 1 . . . . . 53 LEU H . 50151 1 133 . 1 . 1 53 53 LEU C C 13 178.586 0.3 . 1 . . . . . 53 LEU C . 50151 1 134 . 1 . 1 53 53 LEU CA C 13 52.862 0.3 . 1 . . . . . 53 LEU CA . 50151 1 135 . 1 . 1 53 53 LEU CB C 13 43.984 0.3 . 1 . . . . . 53 LEU CB . 50151 1 136 . 1 . 1 53 53 LEU N N 15 123.636 0.3 . 1 . . . . . 53 LEU N . 50151 1 137 . 1 . 1 54 54 LEU H H 1 9.182 0.020 . 1 . . . . . 54 LEU H . 50151 1 138 . 1 . 1 54 54 LEU C C 13 173.401 0.3 . 1 . . . . . 54 LEU C . 50151 1 139 . 1 . 1 54 54 LEU CA C 13 53.514 0.3 . 1 . . . . . 54 LEU CA . 50151 1 140 . 1 . 1 54 54 LEU CB C 13 43.666 0.3 . 1 . . . . . 54 LEU CB . 50151 1 141 . 1 . 1 54 54 LEU N N 15 126.320 0.3 . 1 . . . . . 54 LEU N . 50151 1 142 . 1 . 1 56 56 SER H H 1 8.181 0.020 . 1 . . . . . 56 SER H . 50151 1 143 . 1 . 1 56 56 SER C C 13 174.544 0.3 . 1 . . . . . 56 SER C . 50151 1 144 . 1 . 1 56 56 SER CA C 13 56.014 0.3 . 1 . . . . . 56 SER CA . 50151 1 145 . 1 . 1 56 56 SER CB C 13 62.039 0.3 . 1 . . . . . 56 SER CB . 50151 1 146 . 1 . 1 56 56 SER N N 15 117.705 0.3 . 1 . . . . . 56 SER N . 50151 1 147 . 1 . 1 58 58 GLY H H 1 8.099 0.020 . 1 . . . . . 58 GLY H . 50151 1 148 . 1 . 1 58 58 GLY C C 13 171.865 0.3 . 1 . . . . . 58 GLY C . 50151 1 149 . 1 . 1 58 58 GLY CA C 13 44.410 0.3 . 1 . . . . . 58 GLY CA . 50151 1 150 . 1 . 1 58 58 GLY N N 15 109.580 0.3 . 1 . . . . . 58 GLY N . 50151 1 151 . 1 . 1 60 60 ALA H H 1 8.341 0.020 . 1 . . . . . 60 ALA H . 50151 1 152 . 1 . 1 60 60 ALA C C 13 175.722 0.3 . 1 . . . . . 60 ALA C . 50151 1 153 . 1 . 1 60 60 ALA CA C 13 50.665 0.3 . 1 . . . . . 60 ALA CA . 50151 1 154 . 1 . 1 60 60 ALA CB C 13 17.000 0.3 . 1 . . . . . 60 ALA CB . 50151 1 155 . 1 . 1 60 60 ALA N N 15 127.164 0.3 . 1 . . . . . 60 ALA N . 50151 1 156 . 1 . 1 62 62 GLY H H 1 8.199 0.020 . 1 . . . . . 62 GLY H . 50151 1 157 . 1 . 1 62 62 GLY C C 13 172.104 0.3 . 1 . . . . . 62 GLY C . 50151 1 158 . 1 . 1 62 62 GLY CA C 13 44.621 0.3 . 1 . . . . . 62 GLY CA . 50151 1 159 . 1 . 1 62 62 GLY N N 15 109.877 0.3 . 1 . . . . . 62 GLY N . 50151 1 160 . 1 . 1 63 63 GLN H H 1 8.643 0.020 . 1 . . . . . 63 GLN H . 50151 1 161 . 1 . 1 63 63 GLN C C 13 172.599 0.3 . 1 . . . . . 63 GLN C . 50151 1 162 . 1 . 1 63 63 GLN CA C 13 54.654 0.3 . 1 . . . . . 63 GLN CA . 50151 1 163 . 1 . 1 63 63 GLN CB C 13 35.758 0.3 . 1 . . . . . 63 GLN CB . 50151 1 164 . 1 . 1 63 63 GLN N N 15 118.741 0.3 . 1 . . . . . 63 GLN N . 50151 1 165 . 1 . 1 64 64 ILE H H 1 9.397 0.020 . 1 . . . . . 64 ILE H . 50151 1 166 . 1 . 1 64 64 ILE C C 13 172.727 0.3 . 1 . . . . . 64 ILE C . 50151 1 167 . 1 . 1 64 64 ILE CA C 13 57.706 0.3 . 1 . . . . . 64 ILE CA . 50151 1 168 . 1 . 1 64 64 ILE CB C 13 42.086 0.3 . 1 . . . . . 64 ILE CB . 50151 1 169 . 1 . 1 64 64 ILE N N 15 121.132 0.3 . 1 . . . . . 64 ILE N . 50151 1 170 . 1 . 1 65 65 ALA H H 1 9.180 0.020 . 1 . . . . . 65 ALA H . 50151 1 171 . 1 . 1 65 65 ALA C C 13 175.637 0.3 . 1 . . . . . 65 ALA C . 50151 1 172 . 1 . 1 65 65 ALA CA C 13 48.459 0.3 . 1 . . . . . 65 ALA CA . 50151 1 173 . 1 . 1 65 65 ALA CB C 13 20.799 0.3 . 1 . . . . . 65 ALA CB . 50151 1 174 . 1 . 1 65 65 ALA N N 15 126.168 0.3 . 1 . . . . . 65 ALA N . 50151 1 175 . 1 . 1 66 66 LEU H H 1 8.927 0.020 . 1 . . . . . 66 LEU H . 50151 1 176 . 1 . 1 66 66 LEU C C 13 176.439 0.3 . 1 . . . . . 66 LEU C . 50151 1 177 . 1 . 1 66 66 LEU CA C 13 52.953 0.3 . 1 . . . . . 66 LEU CA . 50151 1 178 . 1 . 1 66 66 LEU CB C 13 40.995 0.3 . 1 . . . . . 66 LEU CB . 50151 1 179 . 1 . 1 66 66 LEU N N 15 122.312 0.3 . 1 . . . . . 66 LEU N . 50151 1 180 . 1 . 1 67 67 LEU H H 1 9.369 0.020 . 1 . . . . . 67 LEU H . 50151 1 181 . 1 . 1 67 67 LEU C C 13 174.442 0.3 . 1 . . . . . 67 LEU C . 50151 1 182 . 1 . 1 67 67 LEU CA C 13 53.249 0.3 . 1 . . . . . 67 LEU CA . 50151 1 183 . 1 . 1 67 67 LEU CB C 13 44.139 0.3 . 1 . . . . . 67 LEU CB . 50151 1 184 . 1 . 1 67 67 LEU N N 15 124.964 0.3 . 1 . . . . . 67 LEU N . 50151 1 185 . 1 . 1 68 68 LYS H H 1 8.592 0.020 . 1 . . . . . 68 LYS H . 50151 1 186 . 1 . 1 68 68 LYS C C 13 174.613 0.3 . 1 . . . . . 68 LYS C . 50151 1 187 . 1 . 1 68 68 LYS CA C 13 54.950 0.3 . 1 . . . . . 68 LYS CA . 50151 1 188 . 1 . 1 68 68 LYS CB C 13 35.041 0.3 . 1 . . . . . 68 LYS CB . 50151 1 189 . 1 . 1 68 68 LYS N N 15 123.735 0.3 . 1 . . . . . 68 LYS N . 50151 1 190 . 1 . 1 69 69 PHE H H 1 8.896 0.020 . 1 . . . . . 69 PHE H . 50151 1 191 . 1 . 1 69 69 PHE C C 13 175.210 0.3 . 1 . . . . . 69 PHE C . 50151 1 192 . 1 . 1 69 69 PHE CA C 13 56.407 0.3 . 1 . . . . . 69 PHE CA . 50151 1 193 . 1 . 1 69 69 PHE CB C 13 42.535 0.3 . 1 . . . . . 69 PHE CB . 50151 1 194 . 1 . 1 69 69 PHE N N 15 124.998 0.3 . 1 . . . . . 69 PHE N . 50151 1 195 . 1 . 1 70 70 SER H H 1 9.200 0.020 . 1 . . . . . 70 SER H . 50151 1 196 . 1 . 1 70 70 SER C C 13 173.964 0.3 . 1 . . . . . 70 SER C . 50151 1 197 . 1 . 1 70 70 SER CA C 13 58.492 0.3 . 1 . . . . . 70 SER CA . 50151 1 198 . 1 . 1 70 70 SER CB C 13 63.386 0.3 . 1 . . . . . 70 SER CB . 50151 1 199 . 1 . 1 70 70 SER N N 15 111.547 0.3 . 1 . . . . . 70 SER N . 50151 1 200 . 1 . 1 71 71 SER H H 1 7.529 0.020 . 1 . . . . . 71 SER H . 50151 1 201 . 1 . 1 71 71 SER C C 13 173.776 0.3 . 1 . . . . . 71 SER C . 50151 1 202 . 1 . 1 71 71 SER CA C 13 56.954 0.3 . 1 . . . . . 71 SER CA . 50151 1 203 . 1 . 1 71 71 SER CB C 13 65.656 0.3 . 1 . . . . . 71 SER CB . 50151 1 204 . 1 . 1 71 71 SER N N 15 111.706 0.3 . 1 . . . . . 71 SER N . 50151 1 205 . 1 . 1 74 74 ALA H H 1 7.983 0.020 . 1 . . . . . 74 ALA H . 50151 1 206 . 1 . 1 74 74 ALA C C 13 179.749 0.3 . 1 . . . . . 74 ALA C . 50151 1 207 . 1 . 1 74 74 ALA CA C 13 54.412 0.3 . 1 . . . . . 74 ALA CA . 50151 1 208 . 1 . 1 74 74 ALA CB C 13 17.794 0.3 . 1 . . . . . 74 ALA CB . 50151 1 209 . 1 . 1 74 74 ALA N N 15 119.969 0.3 . 1 . . . . . 74 ALA N . 50151 1 210 . 1 . 1 75 75 ALA H H 1 7.461 0.020 . 1 . . . . . 75 ALA H . 50151 1 211 . 1 . 1 75 75 ALA C C 13 177.770 0.3 . 1 . . . . . 75 ALA C . 50151 1 212 . 1 . 1 75 75 ALA CA C 13 54.101 0.3 . 1 . . . . . 75 ALA CA . 50151 1 213 . 1 . 1 75 75 ALA CB C 13 18.149 0.3 . 1 . . . . . 75 ALA CB . 50151 1 214 . 1 . 1 75 75 ALA N N 15 121.649 0.3 . 1 . . . . . 75 ALA N . 50151 1 215 . 1 . 1 76 76 ALA H H 1 8.858 0.020 . 1 . . . . . 76 ALA H . 50151 1 216 . 1 . 1 76 76 ALA C C 13 181.336 0.3 . 1 . . . . . 76 ALA C . 50151 1 217 . 1 . 1 76 76 ALA CA C 13 54.510 0.3 . 1 . . . . . 76 ALA CA . 50151 1 218 . 1 . 1 76 76 ALA CB C 13 17.128 0.3 . 1 . . . . . 76 ALA CB . 50151 1 219 . 1 . 1 76 76 ALA N N 15 120.434 0.3 . 1 . . . . . 76 ALA N . 50151 1 220 . 1 . 1 77 77 MET H H 1 8.169 0.020 . 1 . . . . . 77 MET H . 50151 1 221 . 1 . 1 77 77 MET C C 13 178.708 0.3 . 1 . . . . . 77 MET C . 50151 1 222 . 1 . 1 77 77 MET CA C 13 57.730 0.3 . 1 . . . . . 77 MET CA . 50151 1 223 . 1 . 1 77 77 MET CB C 13 31.564 0.3 . 1 . . . . . 77 MET CB . 50151 1 224 . 1 . 1 77 77 MET N N 15 118.395 0.3 . 1 . . . . . 77 MET N . 50151 1 225 . 1 . 1 78 78 ALA H H 1 7.605 0.020 . 1 . . . . . 78 ALA H . 50151 1 226 . 1 . 1 78 78 ALA C C 13 178.069 0.3 . 1 . . . . . 78 ALA C . 50151 1 227 . 1 . 1 78 78 ALA CA C 13 54.221 0.3 . 1 . . . . . 78 ALA CA . 50151 1 228 . 1 . 1 78 78 ALA CB C 13 19.311 0.3 . 1 . . . . . 78 ALA CB . 50151 1 229 . 1 . 1 78 78 ALA N N 15 124.056 0.3 . 1 . . . . . 78 ALA N . 50151 1 230 . 1 . 1 79 79 LYS H H 1 8.144 0.020 . 1 . . . . . 79 LYS H . 50151 1 231 . 1 . 1 79 79 LYS C C 13 177.241 0.3 . 1 . . . . . 79 LYS C . 50151 1 232 . 1 . 1 79 79 LYS CA C 13 59.882 0.3 . 1 . . . . . 79 LYS CA . 50151 1 233 . 1 . 1 79 79 LYS CB C 13 31.435 0.3 . 1 . . . . . 79 LYS CB . 50151 1 234 . 1 . 1 79 79 LYS N N 15 118.411 0.3 . 1 . . . . . 79 LYS N . 50151 1 235 . 1 . 1 80 80 LYS H H 1 7.264 0.020 . 1 . . . . . 80 LYS H . 50151 1 236 . 1 . 1 80 80 LYS C C 13 177.599 0.3 . 1 . . . . . 80 LYS C . 50151 1 237 . 1 . 1 80 80 LYS CA C 13 58.824 0.3 . 1 . . . . . 80 LYS CA . 50151 1 238 . 1 . 1 80 80 LYS CB C 13 32.156 0.3 . 1 . . . . . 80 LYS CB . 50151 1 239 . 1 . 1 80 80 LYS N N 15 116.586 0.3 . 1 . . . . . 80 LYS N . 50151 1 240 . 1 . 1 81 81 ALA H H 1 7.808 0.020 . 1 . . . . . 81 ALA H . 50151 1 241 . 1 . 1 81 81 ALA C C 13 180.654 0.3 . 1 . . . . . 81 ALA C . 50151 1 242 . 1 . 1 81 81 ALA CA C 13 54.624 0.3 . 1 . . . . . 81 ALA CA . 50151 1 243 . 1 . 1 81 81 ALA CB C 13 17.730 0.3 . 1 . . . . . 81 ALA CB . 50151 1 244 . 1 . 1 81 81 ALA N N 15 120.590 0.3 . 1 . . . . . 81 ALA N . 50151 1 245 . 1 . 1 82 82 LEU H H 1 8.365 0.020 . 1 . . . . . 82 LEU H . 50151 1 246 . 1 . 1 82 82 LEU C C 13 179.135 0.3 . 1 . . . . . 82 LEU C . 50151 1 247 . 1 . 1 82 82 LEU CA C 13 57.072 0.3 . 1 . . . . . 82 LEU CA . 50151 1 248 . 1 . 1 82 82 LEU CB C 13 42.406 0.3 . 1 . . . . . 82 LEU CB . 50151 1 249 . 1 . 1 82 82 LEU N N 15 117.455 0.3 . 1 . . . . . 82 LEU N . 50151 1 250 . 1 . 1 83 83 VAL H H 1 7.948 0.020 . 1 . . . . . 83 VAL H . 50151 1 251 . 1 . 1 83 83 VAL C C 13 178.094 0.3 . 1 . . . . . 83 VAL C . 50151 1 252 . 1 . 1 83 83 VAL CA C 13 64.476 0.3 . 1 . . . . . 83 VAL CA . 50151 1 253 . 1 . 1 83 83 VAL CB C 13 31.451 0.3 . 1 . . . . . 83 VAL CB . 50151 1 254 . 1 . 1 83 83 VAL N N 15 117.078 0.3 . 1 . . . . . 83 VAL N . 50151 1 255 . 1 . 1 84 84 GLU H H 1 8.213 0.020 . 1 . . . . . 84 GLU H . 50151 1 256 . 1 . 1 84 84 GLU C C 13 177.574 0.3 . 1 . . . . . 84 GLU C . 50151 1 257 . 1 . 1 84 84 GLU CA C 13 57.193 0.3 . 1 . . . . . 84 GLU CA . 50151 1 258 . 1 . 1 84 84 GLU CB C 13 28.765 0.3 . 1 . . . . . 84 GLU CB . 50151 1 259 . 1 . 1 84 84 GLU N N 15 119.854 0.3 . 1 . . . . . 84 GLU N . 50151 1 260 . 1 . 1 85 85 GLY H H 1 7.823 0.020 . 1 . . . . . 85 GLY H . 50151 1 261 . 1 . 1 85 85 GLY C C 13 174.527 0.3 . 1 . . . . . 85 GLY C . 50151 1 262 . 1 . 1 85 85 GLY CA C 13 45.860 0.3 . 1 . . . . . 85 GLY CA . 50151 1 263 . 1 . 1 85 85 GLY N N 15 108.043 0.3 . 1 . . . . . 85 GLY N . 50151 1 264 . 1 . 1 86 86 GLN H H 1 8.104 0.020 . 1 . . . . . 86 GLN H . 50151 1 265 . 1 . 1 86 86 GLN C C 13 175.619 0.3 . 1 . . . . . 86 GLN C . 50151 1 266 . 1 . 1 86 86 GLN CA C 13 55.863 0.3 . 1 . . . . . 86 GLN CA . 50151 1 267 . 1 . 1 86 86 GLN CB C 13 27.650 0.3 . 1 . . . . . 86 GLN CB . 50151 1 268 . 1 . 1 86 86 GLN N N 15 117.237 0.3 . 1 . . . . . 86 GLN N . 50151 1 269 . 1 . 1 87 87 SER H H 1 8.157 0.020 . 1 . . . . . 87 SER H . 50151 1 270 . 1 . 1 87 87 SER C C 13 175.551 0.3 . 1 . . . . . 87 SER C . 50151 1 271 . 1 . 1 87 87 SER CA C 13 58.341 0.3 . 1 . . . . . 87 SER CA . 50151 1 272 . 1 . 1 87 87 SER CB C 13 63.194 0.3 . 1 . . . . . 87 SER CB . 50151 1 273 . 1 . 1 87 87 SER N N 15 113.387 0.3 . 1 . . . . . 87 SER N . 50151 1 274 . 1 . 1 89 89 LEU H H 1 8.452 0.020 . 1 . . . . . 89 LEU H . 50151 1 275 . 1 . 1 89 89 LEU C C 13 175.585 0.3 . 1 . . . . . 89 LEU C . 50151 1 276 . 1 . 1 89 89 LEU CA C 13 55.107 0.3 . 1 . . . . . 89 LEU CA . 50151 1 277 . 1 . 1 89 89 LEU CB C 13 43.457 0.3 . 1 . . . . . 89 LEU CB . 50151 1 278 . 1 . 1 89 89 LEU N N 15 122.313 0.3 . 1 . . . . . 89 LEU N . 50151 1 279 . 1 . 1 90 90 CYS H H 1 8.624 0.020 . 1 . . . . . 90 CYS H . 50151 1 280 . 1 . 1 90 90 CYS C C 13 174.408 0.3 . 1 . . . . . 90 CYS C . 50151 1 281 . 1 . 1 90 90 CYS CA C 13 59.066 0.3 . 1 . . . . . 90 CYS CA . 50151 1 282 . 1 . 1 90 90 CYS CB C 13 26.519 0.3 . 1 . . . . . 90 CYS CB . 50151 1 283 . 1 . 1 90 90 CYS N N 15 117.735 0.3 . 1 . . . . . 90 CYS N . 50151 1 284 . 1 . 1 91 91 GLY H H 1 8.315 0.020 . 1 . . . . . 91 GLY H . 50151 1 285 . 1 . 1 91 91 GLY C C 13 173.759 0.3 . 1 . . . . . 91 GLY C . 50151 1 286 . 1 . 1 91 91 GLY CA C 13 44.770 0.3 . 1 . . . . . 91 GLY CA . 50151 1 287 . 1 . 1 91 91 GLY N N 15 106.734 0.3 . 1 . . . . . 91 GLY N . 50151 1 288 . 1 . 1 94 94 VAL H H 1 7.975 0.020 . 1 . . . . . 94 VAL H . 50151 1 289 . 1 . 1 94 94 VAL C C 13 174.920 0.3 . 1 . . . . . 94 VAL C . 50151 1 290 . 1 . 1 94 94 VAL CA C 13 60.003 0.3 . 1 . . . . . 94 VAL CA . 50151 1 291 . 1 . 1 94 94 VAL CB C 13 33.128 0.3 . 1 . . . . . 94 VAL CB . 50151 1 292 . 1 . 1 94 94 VAL N N 15 118.929 0.3 . 1 . . . . . 94 VAL N . 50151 1 293 . 1 . 1 95 95 ALA H H 1 8.271 0.020 . 1 . . . . . 95 ALA H . 50151 1 294 . 1 . 1 95 95 ALA C C 13 176.507 0.3 . 1 . . . . . 95 ALA C . 50151 1 295 . 1 . 1 95 95 ALA CA C 13 50.393 0.3 . 1 . . . . . 95 ALA CA . 50151 1 296 . 1 . 1 95 95 ALA CB C 13 20.143 0.3 . 1 . . . . . 95 ALA CB . 50151 1 297 . 1 . 1 95 95 ALA N N 15 125.809 0.3 . 1 . . . . . 95 ALA N . 50151 1 298 . 1 . 1 96 96 VAL H H 1 8.783 0.020 . 1 . . . . . 96 VAL H . 50151 1 299 . 1 . 1 96 96 VAL C C 13 174.271 0.3 . 1 . . . . . 96 VAL C . 50151 1 300 . 1 . 1 96 96 VAL CA C 13 60.396 0.3 . 1 . . . . . 96 VAL CA . 50151 1 301 . 1 . 1 96 96 VAL CB C 13 32.462 0.3 . 1 . . . . . 96 VAL CB . 50151 1 302 . 1 . 1 96 96 VAL N N 15 126.063 0.3 . 1 . . . . . 96 VAL N . 50151 1 303 . 1 . 1 97 97 GLU H H 1 8.669 0.020 . 1 . . . . . 97 GLU H . 50151 1 304 . 1 . 1 97 97 GLU C C 13 175.364 0.3 . 1 . . . . . 97 GLU C . 50151 1 305 . 1 . 1 97 97 GLU CA C 13 53.476 0.3 . 1 . . . . . 97 GLU CA . 50151 1 306 . 1 . 1 97 97 GLU CB C 13 32.975 0.3 . 1 . . . . . 97 GLU CB . 50151 1 307 . 1 . 1 97 97 GLU N N 15 125.189 0.3 . 1 . . . . . 97 GLU N . 50151 1 308 . 1 . 1 98 98 TRP H H 1 8.773 0.020 . 1 . . . . . 98 TRP H . 50151 1 309 . 1 . 1 98 98 TRP HE1 H 1 10.015 0.020 . 1 . . . . . 98 TRP HE1 . 50151 1 310 . 1 . 1 98 98 TRP C C 13 176.882 0.3 . 1 . . . . . 98 TRP C . 50151 1 311 . 1 . 1 98 98 TRP CA C 13 57.616 0.3 . 1 . . . . . 98 TRP CA . 50151 1 312 . 1 . 1 98 98 TRP CB C 13 29.318 0.3 . 1 . . . . . 98 TRP CB . 50151 1 313 . 1 . 1 98 98 TRP N N 15 120.891 0.3 . 1 . . . . . 98 TRP N . 50151 1 314 . 1 . 1 98 98 TRP NE1 N 15 129.320 0.3 . 1 . . . . . 98 TRP NE1 . 50151 1 315 . 1 . 1 99 99 LEU H H 1 8.445 0.020 . 1 . . . . . 99 LEU H . 50151 1 316 . 1 . 1 99 99 LEU C C 13 175.261 0.3 . 1 . . . . . 99 LEU C . 50151 1 317 . 1 . 1 99 99 LEU CA C 13 55.107 0.3 . 1 . . . . . 99 LEU CA . 50151 1 318 . 1 . 1 99 99 LEU CB C 13 42.086 0.3 . 1 . . . . . 99 LEU CB . 50151 1 319 . 1 . 1 99 99 LEU N N 15 126.196 0.3 . 1 . . . . . 99 LEU N . 50151 1 320 . 1 . 1 100 100 LYS H H 1 7.925 0.020 . 1 . . . . . 100 LYS H . 50151 1 321 . 1 . 1 100 100 LYS C C 13 180.739 0.3 . 1 . . . . . 100 LYS C . 50151 1 322 . 1 . 1 100 100 LYS CA C 13 57.374 0.3 . 1 . . . . . 100 LYS CA . 50151 1 323 . 1 . 1 100 100 LYS CB C 13 33.039 0.3 . 1 . . . . . 100 LYS CB . 50151 1 324 . 1 . 1 100 100 LYS N N 15 128.578 0.3 . 1 . . . . . 100 LYS N . 50151 1 stop_ save_