################################### # 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 52762 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shifts_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 HSQC' . . . 52762 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 . . 52762 1 2 $software_2 . . 52762 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 3 3 LYS H H 1 8.351 . . 1 . . . . . 3 LYS HN . 52762 1 2 . 1 . 1 3 3 LYS N N 15 121.565 . . 1 . . . . . 3 LYS N . 52762 1 3 . 1 . 1 4 4 ASP H H 1 8.314 . . 1 . . . . . 4 ASP HN . 52762 1 4 . 1 . 1 4 4 ASP N N 15 120.460 . . 1 . . . . . 4 ASP N . 52762 1 5 . 1 . 1 5 5 TYR H H 1 5.873 . . 1 . . . . . 5 TYR HN . 52762 1 6 . 1 . 1 5 5 TYR N N 15 121.426 . . 1 . . . . . 5 TYR N . 52762 1 7 . 1 . 1 6 6 TYR H H 1 7.770 . . 1 . . . . . 6 TYR HN . 52762 1 8 . 1 . 1 6 6 TYR N N 15 114.393 . . 1 . . . . . 6 TYR N . 52762 1 9 . 1 . 1 7 7 GLN H H 1 7.754 . . 1 . . . . . 7 GLN HN . 52762 1 10 . 1 . 1 7 7 GLN N N 15 121.026 . . 1 . . . . . 7 GLN N . 52762 1 11 . 1 . 1 8 8 THR H H 1 8.216 . . 1 . . . . . 8 THR HN . 52762 1 12 . 1 . 1 8 8 THR N N 15 118.020 . . 1 . . . . . 8 THR N . 52762 1 13 . 1 . 1 9 9 LEU H H 1 6.922 . . 1 . . . . . 9 LEU HN . 52762 1 14 . 1 . 1 9 9 LEU N N 15 115.649 . . 1 . . . . . 9 LEU N . 52762 1 15 . 1 . 1 10 10 GLY H H 1 7.948 . . 1 . . . . . 10 GLY HN . 52762 1 16 . 1 . 1 10 10 GLY N N 15 109.502 . . 1 . . . . . 10 GLY N . 52762 1 17 . 1 . 1 11 11 LEU H H 1 8.099 . . 1 . . . . . 11 LEU HN . 52762 1 18 . 1 . 1 11 11 LEU N N 15 119.569 . . 1 . . . . . 11 LEU N . 52762 1 19 . 1 . 1 12 12 ALA H H 1 8.110 . . 1 . . . . . 12 ALA HN . 52762 1 20 . 1 . 1 12 12 ALA N N 15 122.436 . . 1 . . . . . 12 ALA N . 52762 1 21 . 1 . 1 13 13 ARG H H 1 7.914 . . 1 . . . . . 13 ARG HN . 52762 1 22 . 1 . 1 13 13 ARG N N 15 117.879 . . 1 . . . . . 13 ARG N . 52762 1 23 . 1 . 1 14 14 GLY H H 1 7.777 . . 1 . . . . . 14 GLY HN . 52762 1 24 . 1 . 1 14 14 GLY N N 15 108.220 . . 1 . . . . . 14 GLY N . 52762 1 25 . 1 . 1 15 15 ALA H H 1 7.153 . . 1 . . . . . 15 ALA HN . 52762 1 26 . 1 . 1 15 15 ALA N N 15 121.858 . . 1 . . . . . 15 ALA N . 52762 1 27 . 1 . 1 16 16 SER H H 1 8.941 . . 1 . . . . . 16 SER HN . 52762 1 28 . 1 . 1 16 16 SER N N 15 118.341 . . 1 . . . . . 16 SER N . 52762 1 29 . 1 . 1 17 17 ASP H H 1 8.802 . . 1 . . . . . 17 ASP HN . 52762 1 30 . 1 . 1 17 17 ASP N N 15 120.286 . . 1 . . . . . 17 ASP N . 52762 1 31 . 1 . 1 18 18 GLU H H 1 8.567 . . 1 . . . . . 18 GLU HN . 52762 1 32 . 1 . 1 18 18 GLU N N 15 119.296 . . 1 . . . . . 18 GLU N . 52762 1 33 . 1 . 1 19 19 GLU H H 1 7.847 . . 1 . . . . . 19 GLU HN . 52762 1 34 . 1 . 1 19 19 GLU N N 15 120.548 . . 1 . . . . . 19 GLU N . 52762 1 35 . 1 . 1 20 20 ILE H H 1 8.381 . . 1 . . . . . 20 ILE HN . 52762 1 36 . 1 . 1 20 20 ILE N N 15 122.177 . . 1 . . . . . 20 ILE N . 52762 1 37 . 1 . 1 21 21 LYS H H 1 7.887 . . 1 . . . . . 21 LYS HN . 52762 1 38 . 1 . 1 21 21 LYS N N 15 119.353 . . 1 . . . . . 21 LYS N . 52762 1 39 . 1 . 1 22 22 ARG H H 1 8.125 . . 1 . . . . . 22 ARG HN . 52762 1 40 . 1 . 1 22 22 ARG N N 15 117.852 . . 1 . . . . . 22 ARG N . 52762 1 41 . 1 . 1 23 23 ALA H H 1 8.270 . . 1 . . . . . 23 ALA HN . 52762 1 42 . 1 . 1 23 23 ALA N N 15 122.805 . . 1 . . . . . 23 ALA N . 52762 1 43 . 1 . 1 24 24 TYR H H 1 8.360 . . 1 . . . . . 24 TYR HN . 52762 1 44 . 1 . 1 24 24 TYR N N 15 118.543 . . 1 . . . . . 24 TYR N . 52762 1 45 . 1 . 1 25 25 ARG H H 1 7.791 . . 1 . . . . . 25 ARG HN . 52762 1 46 . 1 . 1 25 25 ARG N N 15 117.138 . . 1 . . . . . 25 ARG N . 52762 1 47 . 1 . 1 26 26 ARG H H 1 7.625 . . 1 . . . . . 26 ARG HN . 52762 1 48 . 1 . 1 26 26 ARG N N 15 114.708 . . 1 . . . . . 26 ARG N . 52762 1 49 . 1 . 1 27 27 GLN H H 1 8.616 . . 1 . . . . . 27 GLN HN . 52762 1 50 . 1 . 1 27 27 GLN N N 15 118.020 . . 1 . . . . . 27 GLN N . 52762 1 51 . 1 . 1 28 28 ALA H H 1 9.261 . . 1 . . . . . 28 ALA HN . 52762 1 52 . 1 . 1 28 28 ALA N N 15 122.198 . . 1 . . . . . 28 ALA N . 52762 1 53 . 1 . 1 29 29 LEU H H 1 7.299 . . 1 . . . . . 29 LEU HN . 52762 1 54 . 1 . 1 29 29 LEU N N 15 113.453 . . 1 . . . . . 29 LEU N . 52762 1 55 . 1 . 1 30 30 ARG H H 1 7.305 . . 1 . . . . . 30 ARG HN . 52762 1 56 . 1 . 1 30 30 ARG N N 15 117.549 . . 1 . . . . . 30 ARG N . 52762 1 57 . 1 . 1 31 31 TYR H H 1 7.496 . . 1 . . . . . 31 TYR HN . 52762 1 58 . 1 . 1 31 31 TYR N N 15 113.559 . . 1 . . . . . 31 TYR N . 52762 1 59 . 1 . 1 32 32 HIS H H 1 7.115 . . 1 . . . . . 32 HIS HN . 52762 1 60 . 1 . 1 32 32 HIS N N 15 122.342 . . 1 . . . . . 32 HIS N . 52762 1 61 . 1 . 1 34 34 ASP H H 1 10.319 . . 1 . . . . . 34 ASP HN . 52762 1 62 . 1 . 1 34 34 ASP N N 15 120.520 . . 1 . . . . . 34 ASP N . 52762 1 63 . 1 . 1 35 35 LYS H H 1 7.847 . . 1 . . . . . 35 LYS HN . 52762 1 64 . 1 . 1 35 35 LYS N N 15 116.779 . . 1 . . . . . 35 LYS N . 52762 1 65 . 1 . 1 36 36 ASN H H 1 8.145 . . 1 . . . . . 36 ASN HN . 52762 1 66 . 1 . 1 36 36 ASN N N 15 119.891 . . 1 . . . . . 36 ASN N . 52762 1 67 . 1 . 1 37 37 LYS H H 1 8.542 . . 1 . . . . . 37 LYS HN . 52762 1 68 . 1 . 1 37 37 LYS N N 15 122.250 . . 1 . . . . . 37 LYS N . 52762 1 69 . 1 . 1 38 38 GLU H H 1 8.457 . . 1 . . . . . 38 GLU HN . 52762 1 70 . 1 . 1 38 38 GLU N N 15 122.974 . . 1 . . . . . 38 GLU N . 52762 1 71 . 1 . 1 40 40 GLY H H 1 8.925 . . 1 . . . . . 40 GLY HN . 52762 1 72 . 1 . 1 40 40 GLY N N 15 111.894 . . 1 . . . . . 40 GLY N . 52762 1 73 . 1 . 1 41 41 ALA H H 1 7.883 . . 1 . . . . . 41 ALA HN . 52762 1 74 . 1 . 1 41 41 ALA N N 15 124.725 . . 1 . . . . . 41 ALA N . 52762 1 75 . 1 . 1 42 42 GLU H H 1 8.672 . . 1 . . . . . 42 GLU HN . 52762 1 76 . 1 . 1 42 42 GLU N N 15 117.196 . . 1 . . . . . 42 GLU N . 52762 1 77 . 1 . 1 43 43 GLU H H 1 8.193 . . 1 . . . . . 43 GLU HN . 52762 1 78 . 1 . 1 43 43 GLU N N 15 120.630 . . 1 . . . . . 43 GLU N . 52762 1 79 . 1 . 1 44 44 LYS H H 1 7.735 . . 1 . . . . . 44 LYS HN . 52762 1 80 . 1 . 1 44 44 LYS N N 15 120.559 . . 1 . . . . . 44 LYS N . 52762 1 81 . 1 . 1 45 45 PHE H H 1 8.886 . . 1 . . . . . 45 PHE HN . 52762 1 82 . 1 . 1 45 45 PHE N N 15 120.012 . . 1 . . . . . 45 PHE N . 52762 1 83 . 1 . 1 46 46 LYS H H 1 7.872 . . 1 . . . . . 46 LYS HN . 52762 1 84 . 1 . 1 46 46 LYS N N 15 119.986 . . 1 . . . . . 46 LYS N . 52762 1 85 . 1 . 1 47 47 GLU H H 1 7.985 . . 1 . . . . . 47 GLU HN . 52762 1 86 . 1 . 1 47 47 GLU N N 15 120.631 . . 1 . . . . . 47 GLU N . 52762 1 87 . 1 . 1 48 48 ILE H H 1 8.302 . . 1 . . . . . 48 ILE HN . 52762 1 88 . 1 . 1 48 48 ILE N N 15 121.316 . . 1 . . . . . 48 ILE N . 52762 1 89 . 1 . 1 49 49 ALA H H 1 7.111 . . 1 . . . . . 49 ALA HN . 52762 1 90 . 1 . 1 49 49 ALA N N 15 121.999 . . 1 . . . . . 49 ALA N . 52762 1 91 . 1 . 1 50 50 GLU H H 1 7.666 . . 1 . . . . . 50 GLU HN . 52762 1 92 . 1 . 1 50 50 GLU N N 15 118.562 . . 1 . . . . . 50 GLU N . 52762 1 93 . 1 . 1 51 51 ALA H H 1 7.756 . . 1 . . . . . 51 ALA HN . 52762 1 94 . 1 . 1 51 51 ALA N N 15 118.349 . . 1 . . . . . 51 ALA N . 52762 1 95 . 1 . 1 52 52 TYR H H 1 7.993 . . 1 . . . . . 52 TYR HN . 52762 1 96 . 1 . 1 52 52 TYR N N 15 116.500 . . 1 . . . . . 52 TYR N . 52762 1 97 . 1 . 1 53 53 ASP H H 1 8.228 . . 1 . . . . . 53 ASP HN . 52762 1 98 . 1 . 1 53 53 ASP N N 15 122.089 . . 1 . . . . . 53 ASP N . 52762 1 99 . 1 . 1 54 54 VAL H H 1 7.058 . . 1 . . . . . 54 VAL HN . 52762 1 100 . 1 . 1 54 54 VAL N N 15 114.104 . . 1 . . . . . 54 VAL N . 52762 1 101 . 1 . 1 55 55 LEU H H 1 7.529 . . 1 . . . . . 55 LEU HN . 52762 1 102 . 1 . 1 55 55 LEU N N 15 110.559 . . 1 . . . . . 55 LEU N . 52762 1 103 . 1 . 1 56 56 SER H H 1 7.798 . . 1 . . . . . 56 SER HN . 52762 1 104 . 1 . 1 56 56 SER N N 15 110.000 . . 1 . . . . . 56 SER N . 52762 1 105 . 1 . 1 57 57 ASP H H 1 6.898 . . 1 . . . . . 57 ASP HN . 52762 1 106 . 1 . 1 57 57 ASP N N 15 125.017 . . 1 . . . . . 57 ASP N . 52762 1 107 . 1 . 1 59 59 ARG H H 1 7.863 . . 1 . . . . . 59 ARG HN . 52762 1 108 . 1 . 1 59 59 ARG N N 15 116.465 . . 1 . . . . . 59 ARG N . 52762 1 109 . 1 . 1 60 60 LYS H H 1 7.614 . . 1 . . . . . 60 LYS HN . 52762 1 110 . 1 . 1 60 60 LYS N N 15 119.154 . . 1 . . . . . 60 LYS N . 52762 1 111 . 1 . 1 61 61 ARG H H 1 9.146 . . 1 . . . . . 61 ARG HN . 52762 1 112 . 1 . 1 61 61 ARG N N 15 121.523 . . 1 . . . . . 61 ARG N . 52762 1 113 . 1 . 1 62 62 GLU H H 1 7.573 . . 1 . . . . . 62 GLU HN . 52762 1 114 . 1 . 1 62 62 GLU N N 15 116.891 . . 1 . . . . . 62 GLU N . 52762 1 115 . 1 . 1 63 63 ILE H H 1 7.306 . . 1 . . . . . 63 ILE HN . 52762 1 116 . 1 . 1 63 63 ILE N N 15 118.680 . . 1 . . . . . 63 ILE N . 52762 1 117 . 1 . 1 64 64 PHE H H 1 8.902 . . 1 . . . . . 64 PHE HN . 52762 1 118 . 1 . 1 64 64 PHE N N 15 121.664 . . 1 . . . . . 64 PHE N . 52762 1 119 . 1 . 1 65 65 ASP H H 1 9.471 . . 1 . . . . . 65 ASP HN . 52762 1 120 . 1 . 1 65 65 ASP N N 15 121.561 . . 1 . . . . . 65 ASP N . 52762 1 121 . 1 . 1 66 66 ARG H H 1 7.395 . . 1 . . . . . 66 ARG HN . 52762 1 122 . 1 . 1 66 66 ARG N N 15 116.894 . . 1 . . . . . 66 ARG N . 52762 1 123 . 1 . 1 67 67 TYR H H 1 8.566 . . 1 . . . . . 67 TYR HN . 52762 1 124 . 1 . 1 67 67 TYR N N 15 115.913 . . 1 . . . . . 67 TYR N . 52762 1 125 . 1 . 1 68 68 GLY H H 1 8.274 . . 1 . . . . . 68 GLY HN . 52762 1 126 . 1 . 1 68 68 GLY N N 15 110.230 . . 1 . . . . . 68 GLY N . 52762 1 127 . 1 . 1 69 69 GLU H H 1 8.983 . . 1 . . . . . 69 GLU HN . 52762 1 128 . 1 . 1 69 69 GLU N N 15 121.690 . . 1 . . . . . 69 GLU N . 52762 1 129 . 1 . 1 70 70 GLU H H 1 8.931 . . 1 . . . . . 70 GLU HN . 52762 1 130 . 1 . 1 70 70 GLU N N 15 118.014 . . 1 . . . . . 70 GLU N . 52762 1 131 . 1 . 1 71 71 GLY H H 1 7.695 . . 1 . . . . . 71 GLY HN . 52762 1 132 . 1 . 1 71 71 GLY N N 15 105.368 . . 1 . . . . . 71 GLY N . 52762 1 133 . 1 . 1 72 72 LEU H H 1 7.640 . . 1 . . . . . 72 LEU HN . 52762 1 134 . 1 . 1 72 72 LEU N N 15 119.865 . . 1 . . . . . 72 LEU N . 52762 1 135 . 1 . 1 73 73 LYS H H 1 8.092 . . 1 . . . . . 73 LYS HN . 52762 1 136 . 1 . 1 73 73 LYS N N 15 115.232 . . 1 . . . . . 73 LYS N . 52762 1 137 . 1 . 1 74 74 GLY H H 1 7.959 . . 1 . . . . . 74 GLY HN . 52762 1 138 . 1 . 1 74 74 GLY N N 15 108.102 . . 1 . . . . . 74 GLY N . 52762 1 139 . 1 . 1 75 75 SER H H 1 8.263 . . 1 . . . . . 75 SER HN . 52762 1 140 . 1 . 1 75 75 SER N N 15 114.316 . . 1 . . . . . 75 SER N . 52762 1 141 . 1 . 1 76 76 GLY H H 1 8.208 . . 1 . . . . . 76 GLY HN . 52762 1 142 . 1 . 1 76 76 GLY N N 15 110.452 . . 1 . . . . . 76 GLY N . 52762 1 143 . 1 . 1 78 78 SER H H 1 8.367 . . 1 . . . . . 78 SER HN . 52762 1 144 . 1 . 1 78 78 SER N N 15 115.642 . . 1 . . . . . 78 SER N . 52762 1 145 . 1 . 1 81 81 SER H H 1 8.277 . . 1 . . . . . 81 SER HN . 52762 1 146 . 1 . 1 81 81 SER N N 15 115.689 . . 1 . . . . . 81 SER N . 52762 1 147 . 1 . 1 82 82 GLY H H 1 8.452 . . 1 . . . . . 82 GLY HN . 52762 1 148 . 1 . 1 82 82 GLY N N 15 110.885 . . 1 . . . . . 82 GLY N . 52762 1 149 . 1 . 1 84 84 GLY H H 1 8.207 . . 1 . . . . . 84 GLY HN . 52762 1 150 . 1 . 1 84 84 GLY N N 15 108.753 . . 1 . . . . . 84 GLY N . 52762 1 151 . 1 . 1 85 85 ALA H H 1 8.207 . . 1 . . . . . 85 ALA HN . 52762 1 152 . 1 . 1 85 85 ALA N N 15 123.841 . . 1 . . . . . 85 ALA N . 52762 1 153 . 1 . 1 86 86 ASN H H 1 8.383 . . 1 . . . . . 86 ASN HN . 52762 1 154 . 1 . 1 86 86 ASN N N 15 117.178 . . 1 . . . . . 86 ASN N . 52762 1 155 . 1 . 1 87 87 GLY H H 1 8.190 . . 1 . . . . . 87 GLY HN . 52762 1 156 . 1 . 1 87 87 GLY N N 15 108.786 . . 1 . . . . . 87 GLY N . 52762 1 157 . 1 . 1 88 88 THR H H 1 7.955 . . 1 . . . . . 88 THR HN . 52762 1 158 . 1 . 1 88 88 THR N N 15 113.061 . . 1 . . . . . 88 THR N . 52762 1 159 . 1 . 1 89 89 SER H H 1 8.226 . . 1 . . . . . 89 SER HN . 52762 1 160 . 1 . 1 89 89 SER N N 15 117.714 . . 1 . . . . . 89 SER N . 52762 1 161 . 1 . 1 90 90 PHE H H 1 8.142 . . 1 . . . . . 90 PHE HN . 52762 1 162 . 1 . 1 90 90 PHE N N 15 122.112 . . 1 . . . . . 90 PHE N . 52762 1 163 . 1 . 1 91 91 SER H H 1 8.114 . . 1 . . . . . 91 SER HN . 52762 1 164 . 1 . 1 91 91 SER N N 15 116.819 . . 1 . . . . . 91 SER N . 52762 1 165 . 1 . 1 92 92 LEU H H 1 8.301 . . 1 . . . . . 92 LEU HN . 52762 1 166 . 1 . 1 92 92 LEU N N 15 123.936 . . 1 . . . . . 92 LEU N . 52762 1 167 . 1 . 1 93 93 THR H H 1 7.241 . . 1 . . . . . 93 THR HN . 52762 1 168 . 1 . 1 93 93 THR N N 15 121.739 . . 1 . . . . . 93 THR N . 52762 1 169 . 1 . 1 94 94 PHE H H 1 8.355 . . 1 . . . . . 94 PHE HN . 52762 1 170 . 1 . 1 94 94 PHE N N 15 123.635 . . 1 . . . . . 94 PHE N . 52762 1 171 . 1 . 1 96 96 GLY H H 1 8.518 . . 1 . . . . . 96 GLY HN . 52762 1 172 . 1 . 1 96 96 GLY N N 15 110.770 . . 1 . . . . . 96 GLY N . 52762 1 173 . 1 . 1 99 99 HIS H H 1 8.394 . . 1 . . . . . 99 HIS HN . 52762 1 174 . 1 . 1 99 99 HIS N N 15 119.332 . . 1 . . . . . 99 HIS N . 52762 1 175 . 1 . 1 100 100 ALA H H 1 7.901 . . 1 . . . . . 100 ALA HN . 52762 1 176 . 1 . 1 100 100 ALA N N 15 126.225 . . 1 . . . . . 100 ALA N . 52762 1 177 . 1 . 1 101 101 MET H H 1 8.153 . . 1 . . . . . 101 MET HN . 52762 1 178 . 1 . 1 101 101 MET N N 15 118.571 . . 1 . . . . . 101 MET N . 52762 1 179 . 1 . 1 102 102 PHE H H 1 7.694 . . 1 . . . . . 102 PHE HN . 52762 1 180 . 1 . 1 102 102 PHE N N 15 119.945 . . 1 . . . . . 102 PHE N . 52762 1 181 . 1 . 1 103 103 ALA H H 1 8.136 . . 1 . . . . . 103 ALA HN . 52762 1 182 . 1 . 1 103 103 ALA N N 15 121.113 . . 1 . . . . . 103 ALA N . 52762 1 183 . 1 . 1 104 104 GLU H H 1 8.072 . . 1 . . . . . 104 GLU HN . 52762 1 184 . 1 . 1 104 104 GLU N N 15 118.274 . . 1 . . . . . 104 GLU N . 52762 1 185 . 1 . 1 105 105 PHE H H 1 8.084 . . 1 . . . . . 105 PHE HN . 52762 1 186 . 1 . 1 105 105 PHE N N 15 119.469 . . 1 . . . . . 105 PHE N . 52762 1 187 . 1 . 1 106 106 PHE H H 1 8.344 . . 1 . . . . . 106 PHE HN . 52762 1 188 . 1 . 1 106 106 PHE N N 15 116.466 . . 1 . . . . . 106 PHE N . 52762 1 189 . 1 . 1 107 107 GLY H H 1 7.817 . . 1 . . . . . 107 GLY HN . 52762 1 190 . 1 . 1 107 107 GLY N N 15 109.043 . . 1 . . . . . 107 GLY N . 52762 1 191 . 1 . 1 108 108 GLY H H 1 8.106 . . 1 . . . . . 108 GLY HN . 52762 1 192 . 1 . 1 108 108 GLY N N 15 107.994 . . 1 . . . . . 108 GLY N . 52762 1 193 . 1 . 1 109 109 ARG H H 1 7.998 . . 1 . . . . . 109 ARG HN . 52762 1 194 . 1 . 1 109 109 ARG N N 15 119.501 . . 1 . . . . . 109 ARG N . 52762 1 195 . 1 . 1 110 110 ASN H H 1 8.361 . . 1 . . . . . 110 ASN HN . 52762 1 196 . 1 . 1 110 110 ASN N N 15 120.661 . . 1 . . . . . 110 ASN N . 52762 1 stop_ save_