################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15236 _Assigned_chem_shift_list.ID 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 $chemical_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' . . . 15236 1 2 '3D 1H-15N NOESY' . . . 15236 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 6 6 SER H H 1 8.291 0.004 . 1 . . . . 4 SER HN . 15236 1 2 . 1 1 6 6 SER N N 15 115.609 0.05 . 1 . . . . 4 SER N . 15236 1 3 . 1 1 7 7 GLU H H 1 8.295 0.004 . 1 . . . . 5 GLU HN . 15236 1 4 . 1 1 7 7 GLU N N 15 123.890 0.05 . 1 . . . . 5 GLU N . 15236 1 5 . 1 1 8 8 PHE H H 1 7.867 0.004 . 1 . . . . 6 PHE HN . 15236 1 6 . 1 1 8 8 PHE N N 15 119.125 0.05 . 1 . . . . 6 PHE N . 15236 1 7 . 1 1 9 9 HIS H H 1 7.975 0.004 . 1 . . . . 7 HIS HN . 15236 1 8 . 1 1 9 9 HIS N N 15 116.700 0.05 . 1 . . . . 7 HIS N . 15236 1 9 . 1 1 10 10 ARG H H 1 7.973 0.004 . 1 . . . . 8 ARG HN . 15236 1 10 . 1 1 10 10 ARG N N 15 119.672 0.05 . 1 . . . . 8 ARG N . 15236 1 11 . 1 1 11 11 LEU H H 1 8.216 0.004 . 1 . . . . 9 LEU HN . 15236 1 12 . 1 1 11 11 LEU N N 15 120.531 0.05 . 1 . . . . 9 LEU N . 15236 1 13 . 1 1 12 12 ALA H H 1 8.852 0.004 . 1 . . . . 10 ALA HN . 15236 1 14 . 1 1 12 12 ALA N N 15 125.219 0.05 . 1 . . . . 10 ALA N . 15236 1 15 . 1 1 13 13 ASP H H 1 8.493 0.004 . 1 . . . . 11 ASP HN . 15236 1 16 . 1 1 13 13 ASP N N 15 119.359 0.05 . 1 . . . . 11 ASP N . 15236 1 17 . 1 1 14 14 GLN H H 1 7.543 0.004 . 1 . . . . 12 GLN HN . 15236 1 18 . 1 1 14 14 GLN N N 15 119.203 0.05 . 1 . . . . 12 GLN N . 15236 1 19 . 1 1 15 15 LEU H H 1 7.738 0.004 . 1 . . . . 13 LEU HN . 15236 1 20 . 1 1 15 15 LEU N N 15 122.484 0.05 . 1 . . . . 13 LEU N . 15236 1 21 . 1 1 16 16 TRP H H 1 8.652 0.004 . 1 . . . . 14 TRP HN . 15236 1 22 . 1 1 16 16 TRP HE1 H 1 9.323 0.004 . 1 . . . . 14 TRP HE1 . 15236 1 23 . 1 1 16 16 TRP N N 15 122.334 0.05 . 1 . . . . 14 TRP N . 15236 1 24 . 1 1 16 16 TRP NE1 N 15 126.469 0.05 . 1 . . . . 14 TRP NE1 . 15236 1 25 . 1 1 17 17 LEU H H 1 7.963 0.004 . 1 . . . . 15 LEU HN . 15236 1 26 . 1 1 17 17 LEU N N 15 117.172 0.05 . 1 . . . . 15 LEU N . 15236 1 27 . 1 1 18 18 THR H H 1 8.161 0.004 . 1 . . . . 16 THR HN . 15236 1 28 . 1 1 18 18 THR N N 15 116.547 0.05 . 1 . . . . 16 THR N . 15236 1 29 . 1 1 19 19 ILE H H 1 8.452 0.004 . 1 . . . . 17 ILE HN . 15236 1 30 . 1 1 19 19 ILE N N 15 121.859 0.05 . 1 . . . . 17 ILE N . 15236 1 31 . 1 1 20 20 GLU H H 1 8.038 0.004 . 1 . . . . 18 GLU HN . 15236 1 32 . 1 1 20 20 GLU N N 15 118.109 0.05 . 1 . . . . 18 GLU N . 15236 1 33 . 1 1 21 21 GLU H H 1 8.353 0.004 . 1 . . . . 19 GLU HN . 15236 1 34 . 1 1 21 21 GLU N N 15 117.797 0.05 . 1 . . . . 19 GLU N . 15236 1 35 . 1 1 22 22 ARG H H 1 8.189 0.004 . 1 . . . . 20 ARG HN . 15236 1 36 . 1 1 22 22 ARG N N 15 118.342 0.05 . 1 . . . . 20 ARG N . 15236 1 37 . 1 1 23 23 LEU H H 1 8.206 0.004 . 1 . . . . 21 LEU HN . 15236 1 38 . 1 1 23 23 LEU N N 15 118.422 0.05 . 1 . . . . 21 LEU N . 15236 1 39 . 1 1 24 24 ASP H H 1 7.936 0.004 . 1 . . . . 22 ASP HN . 15236 1 40 . 1 1 24 24 ASP N N 15 120.453 0.05 . 1 . . . . 22 ASP N . 15236 1 41 . 1 1 25 25 ASP H H 1 7.553 0.004 . 1 . . . . 23 ASP HN . 15236 1 42 . 1 1 25 25 ASP N N 15 118.031 0.05 . 1 . . . . 23 ASP N . 15236 1 43 . 1 1 26 26 TRP H H 1 7.618 0.004 . 1 . . . . 24 TRP HN . 15236 1 44 . 1 1 26 26 TRP HE1 H 1 10.208 0.004 . 1 . . . . 24 TRP HE1 . 15236 1 45 . 1 1 26 26 TRP N N 15 122.015 0.05 . 1 . . . . 24 TRP N . 15236 1 46 . 1 1 26 26 TRP NE1 N 15 129.594 0.05 . 1 . . . . 24 TRP NE1 . 15236 1 47 . 1 1 27 27 ASP H H 1 8.257 0.004 . 1 . . . . 25 ASP HN . 15236 1 48 . 1 1 27 27 ASP N N 15 125.297 0.05 . 1 . . . . 25 ASP N . 15236 1 49 . 1 1 28 28 LYS H H 1 8.008 0.004 . 1 . . . . 26 LYS HN . 15236 1 50 . 1 1 28 28 LYS N N 15 116.547 0.05 . 1 . . . . 26 LYS N . 15236 1 51 . 1 1 29 29 SER H H 1 8.506 0.004 . 1 . . . . 27 SER HN . 15236 1 52 . 1 1 29 29 SER N N 15 115.609 0.05 . 1 . . . . 27 SER N . 15236 1 53 . 1 1 31 31 ASP H H 1 8.694 0.004 . 1 . . . . 29 ASP HN . 15236 1 54 . 1 1 31 31 ASP N N 15 120.565 0.05 . 1 . . . . 29 ASP N . 15236 1 55 . 1 1 32 32 ILE H H 1 8.120 0.004 . 1 . . . . 30 ILE HN . 15236 1 56 . 1 1 32 32 ILE N N 15 128.031 0.05 . 1 . . . . 30 ILE N . 15236 1 57 . 1 1 33 33 ALA H H 1 7.720 0.004 . 1 . . . . 31 ALA HN . 15236 1 58 . 1 1 33 33 ALA N N 15 121.469 0.05 . 1 . . . . 31 ALA N . 15236 1 59 . 1 1 34 34 CYS H H 1 8.698 0.004 . 1 . . . . 32 CYS HN . 15236 1 60 . 1 1 34 34 CYS N N 15 122.106 0.05 . 1 . . . . 32 CYS N . 15236 1 61 . 1 1 35 35 GLU H H 1 8.824 0.004 . 1 . . . . 33 GLU HN . 15236 1 62 . 1 1 35 35 GLU N N 15 127.328 0.05 . 1 . . . . 33 GLU N . 15236 1 63 . 1 1 36 36 ILE H H 1 8.852 0.004 . 1 . . . . 34 ILE HN . 15236 1 64 . 1 1 36 36 ILE N N 15 126.078 0.05 . 1 . . . . 34 ILE N . 15236 1 65 . 1 1 37 37 ASN H H 1 8.616 0.004 . 1 . . . . 35 ASN HN . 15236 1 66 . 1 1 37 37 ASN N N 15 125.453 0.05 . 1 . . . . 35 ASN N . 15236 1 67 . 1 1 39 39 GLY H H 1 8.694 0.004 . 1 . . . . 37 GLY HN . 15236 1 68 . 1 1 39 39 GLY N N 15 110.375 0.05 . 1 . . . . 37 GLY N . 15236 1 69 . 1 1 40 40 VAL H H 1 7.878 0.004 . 1 . . . . 38 VAL HN . 15236 1 70 . 1 1 40 40 VAL N N 15 122.875 0.05 . 1 . . . . 38 VAL N . 15236 1 71 . 1 1 41 41 LEU H H 1 9.077 0.004 . 1 . . . . 39 LEU HN . 15236 1 72 . 1 1 41 41 LEU N N 15 133.422 0.05 . 1 . . . . 39 LEU N . 15236 1 73 . 1 1 42 42 THR H H 1 9.019 0.004 . 1 . . . . 40 THR HN . 15236 1 74 . 1 1 42 42 THR N N 15 121.469 0.05 . 1 . . . . 40 THR N . 15236 1 75 . 1 1 43 43 ILE H H 1 9.542 0.004 . 1 . . . . 41 ILE HN . 15236 1 76 . 1 1 43 43 ILE N N 15 130.609 0.05 . 1 . . . . 41 ILE N . 15236 1 77 . 1 1 44 44 THR H H 1 8.688 0.004 . 1 . . . . 42 THR HN . 15236 1 78 . 1 1 44 44 THR N N 15 122.172 0.05 . 1 . . . . 42 THR N . 15236 1 79 . 1 1 45 45 PHE H H 1 8.578 0.004 . 1 . . . . 43 PHE HN . 15236 1 80 . 1 1 45 45 PHE N N 15 125.453 0.05 . 1 . . . . 43 PHE N . 15236 1 81 . 1 1 46 46 GLU H H 1 9.484 0.004 . 1 . . . . 44 GLU HN . 15236 1 82 . 1 1 46 46 GLU N N 15 124.828 0.05 . 1 . . . . 44 GLU N . 15236 1 83 . 1 1 47 47 ASN H H 1 8.168 0.004 . 1 . . . . 45 ASN HN . 15236 1 84 . 1 1 47 47 ASN N N 15 113.344 0.05 . 1 . . . . 45 ASN N . 15236 1 85 . 1 1 48 48 GLY H H 1 8.541 0.004 . 1 . . . . 46 GLY HN . 15236 1 86 . 1 1 48 48 GLY N N 15 109.593 0.05 . 1 . . . . 46 GLY N . 15236 1 87 . 1 1 49 49 SER H H 1 8.250 0.004 . 1 . . . . 47 SER HN . 15236 1 88 . 1 1 49 49 SER N N 15 117.406 0.05 . 1 . . . . 47 SER N . 15236 1 89 . 1 1 50 50 LYS H H 1 8.418 0.004 . 1 . . . . 48 LYS HN . 15236 1 90 . 1 1 50 50 LYS N N 15 116.312 0.05 . 1 . . . . 48 LYS N . 15236 1 91 . 1 1 51 51 ILE H H 1 9.299 0.004 . 1 . . . . 49 ILE HN . 15236 1 92 . 1 1 51 51 ILE N N 15 123.578 0.05 . 1 . . . . 49 ILE N . 15236 1 93 . 1 1 52 52 ILE H H 1 8.715 0.004 . 1 . . . . 50 ILE HN . 15236 1 94 . 1 1 52 52 ILE N N 15 126.937 0.05 . 1 . . . . 50 ILE N . 15236 1 95 . 1 1 53 53 ILE H H 1 9.658 0.004 . 1 . . . . 51 ILE HN . 15236 1 96 . 1 1 53 53 ILE N N 15 130.687 0.05 . 1 . . . . 51 ILE N . 15236 1 97 . 1 1 54 54 ASN H H 1 9.422 0.004 . 1 . . . . 52 ASN HN . 15236 1 98 . 1 1 54 54 ASN N N 15 122.562 0.05 . 1 . . . . 52 ASN N . 15236 1 99 . 1 1 55 55 ARG H H 1 8.944 0.004 . 1 . . . . 53 ARG HN . 15236 1 100 . 1 1 55 55 ARG N N 15 119.906 0.05 . 1 . . . . 53 ARG N . 15236 1 101 . 1 1 56 56 GLN H H 1 8.756 0.004 . 1 . . . . 54 GLN HN . 15236 1 102 . 1 1 56 56 GLN N N 15 124.515 0.05 . 1 . . . . 54 GLN N . 15236 1 103 . 1 1 57 57 GLU H H 1 8.981 0.004 . 1 . . . . 55 GLU HN . 15236 1 104 . 1 1 57 57 GLU N N 15 125.297 0.05 . 1 . . . . 55 GLU N . 15236 1 105 . 1 1 59 59 LEU H H 1 6.518 0.004 . 1 . . . . 57 LEU HN . 15236 1 106 . 1 1 59 59 LEU N N 15 111.312 0.05 . 1 . . . . 57 LEU N . 15236 1 107 . 1 1 60 60 HIS H H 1 7.717 0.004 . 1 . . . . 58 HIS HN . 15236 1 108 . 1 1 60 60 HIS N N 15 115.219 0.05 . 1 . . . . 58 HIS N . 15236 1 109 . 1 1 61 61 GLN H H 1 7.085 0.004 . 1 . . . . 59 GLN HN . 15236 1 110 . 1 1 61 61 GLN N N 15 111.078 0.05 . 1 . . . . 59 GLN N . 15236 1 111 . 1 1 62 62 VAL H H 1 8.240 0.004 . 1 . . . . 60 VAL HN . 15236 1 112 . 1 1 62 62 VAL N N 15 119.281 0.05 . 1 . . . . 60 VAL N . 15236 1 113 . 1 1 63 63 TRP H H 1 9.685 0.004 . 1 . . . . 61 TRP HN . 15236 1 114 . 1 1 63 63 TRP HE1 H 1 10.253 0.004 . 1 . . . . 61 TRP HE1 . 15236 1 115 . 1 1 63 63 TRP N N 15 129.750 0.05 . 1 . . . . 61 TRP N . 15236 1 116 . 1 1 63 63 TRP NE1 N 15 127.562 0.05 . 1 . . . . 61 TRP NE1 . 15236 1 117 . 1 1 64 64 LEU H H 1 9.504 0.004 . 1 . . . . 62 LEU HN . 15236 1 118 . 1 1 64 64 LEU N N 15 123.969 0.05 . 1 . . . . 62 LEU N . 15236 1 119 . 1 1 65 65 ALA H H 1 9.781 0.004 . 1 . . . . 63 ALA HN . 15236 1 120 . 1 1 65 65 ALA N N 15 131.703 0.05 . 1 . . . . 63 ALA N . 15236 1 121 . 1 1 66 66 THR H H 1 8.428 0.004 . 1 . . . . 64 THR HN . 15236 1 122 . 1 1 66 66 THR N N 15 113.734 0.05 . 1 . . . . 64 THR N . 15236 1 123 . 1 1 67 67 LYS H H 1 8.720 0.004 . 1 . . . . 65 LYS HN . 15236 1 124 . 1 1 67 67 LYS N N 15 120.489 0.05 . 1 . . . . 65 LYS N . 15236 1 125 . 1 1 68 68 GLN H H 1 8.035 0.004 . 1 . . . . 66 GLN HN . 15236 1 126 . 1 1 68 68 GLN N N 15 114.672 0.05 . 1 . . . . 66 GLN N . 15236 1 127 . 1 1 69 69 GLY H H 1 7.406 0.004 . 1 . . . . 67 GLY HN . 15236 1 128 . 1 1 69 69 GLY N N 15 107.797 0.05 . 1 . . . . 67 GLY N . 15236 1 129 . 1 1 70 70 GLY H H 1 7.830 0.004 . 1 . . . . 68 GLY HN . 15236 1 130 . 1 1 70 70 GLY N N 15 107.953 0.05 . 1 . . . . 68 GLY N . 15236 1 131 . 1 1 71 71 TYR H H 1 8.865 0.004 . 1 . . . . 69 TYR HN . 15236 1 132 . 1 1 71 71 TYR N N 15 119.203 0.05 . 1 . . . . 69 TYR N . 15236 1 133 . 1 1 72 72 HIS H H 1 9.750 0.004 . 1 . . . . 70 HIS HN . 15236 1 134 . 1 1 72 72 HIS N N 15 124.984 0.05 . 1 . . . . 70 HIS N . 15236 1 135 . 1 1 73 73 PHE H H 1 9.518 0.004 . 1 . . . . 71 PHE HN . 15236 1 136 . 1 1 73 73 PHE N N 15 119.437 0.05 . 1 . . . . 71 PHE N . 15236 1 137 . 1 1 74 74 ASP H H 1 8.715 0.004 . 1 . . . . 72 ASP HN . 15236 1 138 . 1 1 74 74 ASP N N 15 119.906 0.05 . 1 . . . . 72 ASP N . 15236 1 139 . 1 1 75 75 LEU H H 1 8.657 0.004 . 1 . . . . 73 LEU HN . 15236 1 140 . 1 1 75 75 LEU N N 15 121.469 0.05 . 1 . . . . 73 LEU N . 15236 1 141 . 1 1 76 76 LYS H H 1 8.776 0.004 . 1 . . . . 74 LYS HN . 15236 1 142 . 1 1 76 76 LYS N N 15 129.672 0.05 . 1 . . . . 74 LYS N . 15236 1 143 . 1 1 77 77 GLY H H 1 8.749 0.004 . 1 . . . . 75 GLY HN . 15236 1 144 . 1 1 77 77 GLY N N 15 116.781 0.05 . 1 . . . . 75 GLY N . 15236 1 145 . 1 1 78 78 ASP H H 1 8.506 0.004 . 1 . . . . 76 ASP HN . 15236 1 146 . 1 1 78 78 ASP N N 15 123.890 0.05 . 1 . . . . 76 ASP N . 15236 1 147 . 1 1 79 79 GLU H H 1 7.615 0.004 . 1 . . . . 77 GLU HN . 15236 1 148 . 1 1 79 79 GLU N N 15 118.812 0.05 . 1 . . . . 77 GLU N . 15236 1 149 . 1 1 80 80 TRP H H 1 8.848 0.004 . 1 . . . . 78 TRP HN . 15236 1 150 . 1 1 80 80 TRP HE1 H 1 9.754 0.004 . 1 . . . . 78 TRP HE1 . 15236 1 151 . 1 1 80 80 TRP N N 15 123.109 0.05 . 1 . . . . 78 TRP N . 15236 1 152 . 1 1 80 80 TRP NE1 N 15 128.187 0.05 . 1 . . . . 78 TRP NE1 . 15236 1 153 . 1 1 81 81 ILE H H 1 9.405 0.004 . 1 . . . . 79 ILE HN . 15236 1 154 . 1 1 81 81 ILE N N 15 124.594 0.05 . 1 . . . . 79 ILE N . 15236 1 155 . 1 1 82 82 CYS H H 1 9.436 0.004 . 1 . . . . 80 CYS HN . 15236 1 156 . 1 1 82 82 CYS N N 15 134.047 0.05 . 1 . . . . 80 CYS N . 15236 1 157 . 1 1 83 83 ASP H H 1 9.019 0.004 . 1 . . . . 81 ASP HN . 15236 1 158 . 1 1 83 83 ASP N N 15 131.390 0.05 . 1 . . . . 81 ASP N . 15236 1 159 . 1 1 84 84 ARG H H 1 9.497 0.004 . 1 . . . . 82 ARG HN . 15236 1 160 . 1 1 84 84 ARG N N 15 123.926 0.05 . 1 . . . . 82 ARG N . 15236 1 161 . 1 1 86 86 GLY H H 1 8.021 0.004 . 1 . . . . 84 GLY HN . 15236 1 162 . 1 1 86 86 GLY N N 15 111.703 0.05 . 1 . . . . 84 GLY N . 15236 1 163 . 1 1 87 87 GLU H H 1 7.840 0.004 . 1 . . . . 85 GLU HN . 15236 1 164 . 1 1 87 87 GLU N N 15 119.672 0.05 . 1 . . . . 85 GLU N . 15236 1 165 . 1 1 88 88 THR H H 1 9.265 0.004 . 1 . . . . 86 THR HN . 15236 1 166 . 1 1 88 88 THR N N 15 111.625 0.05 . 1 . . . . 86 THR N . 15236 1 167 . 1 1 89 89 PHE H H 1 8.298 0.004 . 1 . . . . 87 PHE HN . 15236 1 168 . 1 1 89 89 PHE N N 15 120.297 0.05 . 1 . . . . 87 PHE N . 15236 1 169 . 1 1 90 90 TRP H H 1 7.252 0.004 . 1 . . . . 88 TRP HN . 15236 1 170 . 1 1 90 90 TRP HE1 H 1 10.437 0.004 . 1 . . . . 88 TRP HE1 . 15236 1 171 . 1 1 90 90 TRP N N 15 115.297 0.05 . 1 . . . . 88 TRP N . 15236 1 172 . 1 1 90 90 TRP NE1 N 15 129.125 0.05 . 1 . . . . 88 TRP NE1 . 15236 1 173 . 1 1 91 91 ASP H H 1 7.570 0.004 . 1 . . . . 89 ASP HN . 15236 1 174 . 1 1 91 91 ASP N N 15 117.938 0.05 . 1 . . . . 89 ASP N . 15236 1 175 . 1 1 92 92 LEU H H 1 7.690 0.004 . 1 . . . . 90 LEU HN . 15236 1 176 . 1 1 92 92 LEU N N 15 120.140 0.05 . 1 . . . . 90 LEU N . 15236 1 177 . 1 1 93 93 LEU H H 1 8.657 0.004 . 1 . . . . 91 LEU HN . 15236 1 178 . 1 1 93 93 LEU N N 15 121.156 0.05 . 1 . . . . 91 LEU N . 15236 1 179 . 1 1 94 94 GLU H H 1 8.282 0.004 . 1 . . . . 92 GLU HN . 15236 1 180 . 1 1 94 94 GLU N N 15 117.407 0.05 . 1 . . . . 92 GLU N . 15236 1 181 . 1 1 95 95 GLN H H 1 8.001 0.004 . 1 . . . . 93 GLN HN . 15236 1 182 . 1 1 95 95 GLN N N 15 120.453 0.05 . 1 . . . . 93 GLN N . 15236 1 183 . 1 1 96 96 ALA H H 1 8.240 0.004 . 1 . . . . 94 ALA HN . 15236 1 184 . 1 1 96 96 ALA N N 15 122.328 0.05 . 1 . . . . 94 ALA N . 15236 1 185 . 1 1 97 97 ALA H H 1 9.084 0.004 . 1 . . . . 95 ALA HN . 15236 1 186 . 1 1 97 97 ALA N N 15 119.984 0.05 . 1 . . . . 95 ALA N . 15236 1 187 . 1 1 98 98 THR H H 1 8.182 0.004 . 1 . . . . 96 THR HN . 15236 1 188 . 1 1 98 98 THR N N 15 115.531 0.05 . 1 . . . . 96 THR N . 15236 1 189 . 1 1 99 99 GLN H H 1 7.744 0.004 . 1 . . . . 97 GLN HN . 15236 1 190 . 1 1 99 99 GLN N N 15 120.531 0.05 . 1 . . . . 97 GLN N . 15236 1 191 . 1 1 100 100 GLN H H 1 7.984 0.004 . 1 . . . . 98 GLN HN . 15236 1 192 . 1 1 100 100 GLN N N 15 116.156 0.05 . 1 . . . . 98 GLN N . 15236 1 193 . 1 1 101 101 ALA H H 1 8.418 0.004 . 1 . . . . 99 ALA HN . 15236 1 194 . 1 1 101 101 ALA N N 15 119.359 0.05 . 1 . . . . 99 ALA N . 15236 1 195 . 1 1 102 102 GLY H H 1 7.594 0.004 . 1 . . . . 100 GLY HN . 15236 1 196 . 1 1 102 102 GLY N N 15 104.828 0.05 . 1 . . . . 100 GLY N . 15236 1 197 . 1 1 103 103 GLU H H 1 7.662 0.004 . 1 . . . . 101 GLU HN . 15236 1 198 . 1 1 103 103 GLU N N 15 116.312 0.05 . 1 . . . . 101 GLU N . 15236 1 199 . 1 1 104 104 THR H H 1 8.318 0.004 . 1 . . . . 102 THR HN . 15236 1 200 . 1 1 104 104 THR N N 15 114.984 0.05 . 1 . . . . 102 THR N . 15236 1 201 . 1 1 105 105 VAL H H 1 8.158 0.004 . 1 . . . . 103 VAL HN . 15236 1 202 . 1 1 105 105 VAL N N 15 128.422 0.05 . 1 . . . . 103 VAL N . 15236 1 203 . 1 1 106 106 SER H H 1 7.707 0.004 . 1 . . . . 104 SER HN . 15236 1 204 . 1 1 106 106 SER N N 15 118.344 0.05 . 1 . . . . 104 SER N . 15236 1 205 . 1 1 107 107 PHE H H 1 9.448 0.004 . 1 . . . . 105 PHE HN . 15236 1 206 . 1 1 107 107 PHE N N 15 124.763 0.05 . 1 . . . . 105 PHE N . 15236 1 207 . 1 1 108 108 ARG H H 1 7.580 0.004 . 1 . . . . 106 ARG HN . 15236 1 208 . 1 1 108 108 ARG N N 15 125.062 0.05 . 1 . . . . 106 ARG N . 15236 1 stop_ save_