################################### # 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 15235 _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' . . . 15235 1 2 '3D 1H-15N NOESY' . . . 15235 1 3 '3D 1H-15N TOCSY' . . . 15235 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 4 4 ASP H H 1 7.970 0.01 . 1 . . . . 91 ASP HN . 15235 1 2 . 1 1 4 4 ASP N N 15 122.073 0.07 . 1 . . . . 91 ASP N . 15235 1 3 . 1 1 5 5 GLU H H 1 8.872 0.01 . 1 . . . . 92 GLU HN . 15235 1 4 . 1 1 5 5 GLU N N 15 119.998 0.07 . 1 . . . . 92 GLU N . 15235 1 5 . 1 1 6 6 THR H H 1 8.214 0.01 . 1 . . . . 93 THR HN . 15235 1 6 . 1 1 6 6 THR N N 15 114.490 0.07 . 1 . . . . 93 THR N . 15235 1 7 . 1 1 7 7 THR H H 1 8.400 0.01 . 1 . . . . 94 THR HN . 15235 1 8 . 1 1 7 7 THR N N 15 120.117 0.07 . 1 . . . . 94 THR N . 15235 1 9 . 1 1 8 8 TYR H H 1 8.205 0.01 . 1 . . . . 95 TYR HN . 15235 1 10 . 1 1 8 8 TYR N N 15 120.919 0.07 . 1 . . . . 95 TYR N . 15235 1 11 . 1 1 9 9 GLU H H 1 8.209 0.01 . 1 . . . . 96 GLU HN . 15235 1 12 . 1 1 9 9 GLU N N 15 118.281 0.07 . 1 . . . . 96 GLU N . 15235 1 13 . 1 1 10 10 ARG H H 1 7.625 0.01 . 1 . . . . 97 ARG HN . 15235 1 14 . 1 1 10 10 ARG N N 15 120.801 0.07 . 1 . . . . 97 ARG N . 15235 1 15 . 1 1 11 11 LEU H H 1 8.144 0.01 . 1 . . . . 98 LEU HN . 15235 1 16 . 1 1 11 11 LEU N N 15 119.043 0.07 . 1 . . . . 98 LEU N . 15235 1 17 . 1 1 12 12 ALA H H 1 9.223 0.01 . 1 . . . . 99 ALA HN . 15235 1 18 . 1 1 12 12 ALA N N 15 124.304 0.07 . 1 . . . . 99 ALA N . 15235 1 19 . 1 1 13 13 GLU H H 1 8.093 0.01 . 1 . . . . 100 GLU HN . 15235 1 20 . 1 1 13 13 GLU N N 15 118.321 0.07 . 1 . . . . 100 GLU N . 15235 1 21 . 1 1 14 14 GLU H H 1 8.462 0.01 . 1 . . . . 101 GLU HN . 15235 1 22 . 1 1 14 14 GLU N N 15 117.969 0.07 . 1 . . . . 101 GLU N . 15235 1 23 . 1 1 15 15 THR H H 1 8.272 0.01 . 1 . . . . 102 THR HN . 15235 1 24 . 1 1 15 15 THR N N 15 115.946 0.07 . 1 . . . . 102 THR N . 15235 1 25 . 1 1 16 16 LEU H H 1 8.479 0.01 . 1 . . . . 103 LEU HN . 15235 1 26 . 1 1 16 16 LEU N N 15 122.949 0.07 . 1 . . . . 103 LEU N . 15235 1 27 . 1 1 17 17 ASP H H 1 8.995 0.01 . 1 . . . . 104 ASP HN . 15235 1 28 . 1 1 17 17 ASP N N 15 120.449 0.07 . 1 . . . . 104 ASP N . 15235 1 29 . 1 1 18 18 SER H H 1 7.286 0.01 . 1 . . . . 105 SER HN . 15235 1 30 . 1 1 18 18 SER N N 15 112.188 0.07 . 1 . . . . 105 SER N . 15235 1 31 . 1 1 19 19 LEU H H 1 7.515 0.01 . 1 . . . . 106 LEU HN . 15235 1 32 . 1 1 19 19 LEU N N 15 118.985 0.07 . 1 . . . . 106 LEU N . 15235 1 33 . 1 1 20 20 ALA H H 1 8.896 0.01 . 1 . . . . 107 ALA HN . 15235 1 34 . 1 1 20 20 ALA N N 15 122.578 0.07 . 1 . . . . 107 ALA N . 15235 1 35 . 1 1 21 21 GLU H H 1 7.795 0.01 . 1 . . . . 108 GLU HN . 15235 1 36 . 1 1 21 21 GLU N N 15 117.578 0.07 . 1 . . . . 108 GLU N . 15235 1 37 . 1 1 22 22 PHE H H 1 7.648 0.01 . 1 . . . . 109 PHE HN . 15235 1 38 . 1 1 22 22 PHE N N 15 120.938 0.07 . 1 . . . . 109 PHE N . 15235 1 39 . 1 1 23 23 PHE H H 1 8.783 0.01 . 1 . . . . 110 PHE HN . 15235 1 40 . 1 1 23 23 PHE N N 15 116.836 0.07 . 1 . . . . 110 PHE N . 15235 1 41 . 1 1 24 24 GLU H H 1 9.237 0.01 . 1 . . . . 111 GLU HN . 15235 1 42 . 1 1 24 24 GLU N N 15 124.622 0.07 . 1 . . . . 111 GLU N . 15235 1 43 . 1 1 25 25 ASP H H 1 7.724 0.01 . 1 . . . . 112 ASP HN . 15235 1 44 . 1 1 25 25 ASP N N 15 120.117 0.07 . 1 . . . . 112 ASP N . 15235 1 45 . 1 1 26 26 LEU H H 1 7.231 0.01 . 1 . . . . 113 LEU HN . 15235 1 46 . 1 1 26 26 LEU N N 15 115.781 0.07 . 1 . . . . 113 LEU N . 15235 1 47 . 1 1 27 27 ALA H H 1 7.228 0.01 . 1 . . . . 114 ALA HN . 15235 1 48 . 1 1 27 27 ALA N N 15 120.391 0.07 . 1 . . . . 114 ALA N . 15235 1 49 . 1 1 28 28 ASP H H 1 7.570 0.01 . 1 . . . . 115 ASP HN . 15235 1 50 . 1 1 28 28 ASP N N 15 113.848 0.07 . 1 . . . . 115 ASP N . 15235 1 51 . 1 1 29 29 LYS H H 1 7.016 0.01 . 1 . . . . 116 LYS HN . 15235 1 52 . 1 1 29 29 LYS N N 15 118.496 0.07 . 1 . . . . 116 LYS N . 15235 1 53 . 1 1 31 31 TYR H H 1 5.885 0.01 . 1 . . . . 118 TYR HN . 15235 1 54 . 1 1 31 31 TYR N N 15 110.004 0.07 . 1 . . . . 118 TYR N . 15235 1 55 . 1 1 32 32 THR H H 1 6.883 0.01 . 1 . . . . 119 THR HN . 15235 1 56 . 1 1 32 32 THR N N 15 112.813 0.07 . 1 . . . . 119 THR N . 15235 1 57 . 1 1 33 33 PHE H H 1 8.963 0.01 . 1 . . . . 120 PHE HN . 15235 1 58 . 1 1 33 33 PHE N N 15 124.050 0.07 . 1 . . . . 120 PHE N . 15235 1 59 . 1 1 34 34 GLU H H 1 9.285 0.01 . 1 . . . . 121 GLU HN . 15235 1 60 . 1 1 34 34 GLU N N 15 120.390 0.07 . 1 . . . . 121 GLU N . 15235 1 61 . 1 1 35 35 ASP H H 1 9.200 0.01 . 1 . . . . 122 ASP HN . 15235 1 62 . 1 1 35 35 ASP N N 15 114.063 0.07 . 1 . . . . 122 ASP N . 15235 1 63 . 1 1 36 36 TYR H H 1 7.317 0.01 . 1 . . . . 123 TYR HN . 15235 1 64 . 1 1 36 36 TYR N N 15 122.442 0.07 . 1 . . . . 123 TYR N . 15235 1 65 . 1 1 37 37 ASP H H 1 8.773 0.01 . 1 . . . . 124 ASP HN . 15235 1 66 . 1 1 37 37 ASP N N 15 128.535 0.07 . 1 . . . . 124 ASP N . 15235 1 67 . 1 1 38 38 VAL H H 1 8.199 0.01 . 1 . . . . 125 VAL HN . 15235 1 68 . 1 1 38 38 VAL N N 15 124.063 0.07 . 1 . . . . 125 VAL N . 15235 1 69 . 1 1 39 39 SER H H 1 8.906 0.01 . 1 . . . . 126 SER HN . 15235 1 70 . 1 1 39 39 SER N N 15 121.485 0.07 . 1 . . . . 126 SER N . 15235 1 71 . 1 1 40 40 PHE H H 1 9.017 0.01 . 1 . . . . 127 PHE HN . 15235 1 72 . 1 1 40 40 PHE N N 15 126.510 0.07 . 1 . . . . 127 PHE N . 15235 1 73 . 1 1 41 41 GLY H H 1 8.127 0.01 . 1 . . . . 128 GLY HN . 15235 1 74 . 1 1 41 41 GLY N N 15 114.864 0.07 . 1 . . . . 128 GLY N . 15235 1 75 . 1 1 43 43 GLY H H 1 8.770 0.01 . 1 . . . . 130 GLY HN . 15235 1 76 . 1 1 43 43 GLY N N 15 106.719 0.07 . 1 . . . . 130 GLY N . 15235 1 77 . 1 1 44 44 VAL H H 1 7.652 0.01 . 1 . . . . 131 VAL HN . 15235 1 78 . 1 1 44 44 VAL N N 15 118.750 0.07 . 1 . . . . 131 VAL N . 15235 1 79 . 1 1 45 45 LEU H H 1 9.508 0.01 . 1 . . . . 132 LEU HN . 15235 1 80 . 1 1 45 45 LEU N N 15 132.811 0.07 . 1 . . . . 132 LEU N . 15235 1 81 . 1 1 46 46 THR H H 1 9.334 0.01 . 1 . . . . 133 THR HN . 15235 1 82 . 1 1 46 46 THR N N 15 125.293 0.07 . 1 . . . . 133 THR N . 15235 1 83 . 1 1 47 47 VAL H H 1 9.180 0.01 . 1 . . . . 134 VAL HN . 15235 1 84 . 1 1 47 47 VAL N N 15 127.735 0.07 . 1 . . . . 134 VAL N . 15235 1 85 . 1 1 48 48 LYS H H 1 8.893 0.01 . 1 . . . . 135 LYS HN . 15235 1 86 . 1 1 48 48 LYS N N 15 130.391 0.07 . 1 . . . . 135 LYS N . 15235 1 87 . 1 1 49 49 LEU H H 1 8.454 0.01 . 1 . . . . 136 LEU HN . 15235 1 88 . 1 1 49 49 LEU N N 15 123.794 0.07 . 1 . . . . 136 LEU N . 15235 1 89 . 1 1 50 50 GLY H H 1 7.529 0.01 . 1 . . . . 137 GLY HN . 15235 1 90 . 1 1 50 50 GLY N N 15 102.832 0.07 . 1 . . . . 137 GLY N . 15235 1 91 . 1 1 51 51 GLY H H 1 9.163 0.01 . 1 . . . . 138 GLY HN . 15235 1 92 . 1 1 51 51 GLY N N 15 107.324 0.07 . 1 . . . . 138 GLY N . 15235 1 93 . 1 1 54 54 GLY H H 1 8.024 0.01 . 1 . . . . 141 GLY HN . 15235 1 94 . 1 1 54 54 GLY N N 15 105.117 0.07 . 1 . . . . 141 GLY N . 15235 1 95 . 1 1 55 55 THR H H 1 7.929 0.01 . 1 . . . . 142 THR HN . 15235 1 96 . 1 1 55 55 THR N N 15 114.434 0.07 . 1 . . . . 142 THR N . 15235 1 97 . 1 1 57 57 VAL H H 1 7.959 0.01 . 1 . . . . 144 VAL HN . 15235 1 98 . 1 1 57 57 VAL N N 15 119.180 0.07 . 1 . . . . 144 VAL N . 15235 1 99 . 1 1 58 58 ILE H H 1 9.693 0.01 . 1 . . . . 145 ILE HN . 15235 1 100 . 1 1 58 58 ILE N N 15 130.684 0.07 . 1 . . . . 145 ILE N . 15235 1 101 . 1 1 59 59 ASN H H 1 9.468 0.01 . 1 . . . . 146 ASN HN . 15235 1 102 . 1 1 59 59 ASN N N 15 121.462 0.07 . 1 . . . . 146 ASN N . 15235 1 103 . 1 1 60 60 LYS H H 1 8.392 0.01 . 1 . . . . 147 LYS HN . 15235 1 104 . 1 1 60 60 LYS N N 15 121.716 0.07 . 1 . . . . 147 LYS N . 15235 1 105 . 1 1 64 64 ASN H H 1 7.009 0.01 . 1 . . . . 151 ASN HN . 15235 1 106 . 1 1 64 64 ASN N N 15 109.956 0.07 . 1 . . . . 151 ASN N . 15235 1 107 . 1 1 65 65 LYS H H 1 7.932 0.01 . 1 . . . . 152 LYS HN . 15235 1 108 . 1 1 65 65 LYS N N 15 116.875 0.07 . 1 . . . . 152 LYS N . 15235 1 109 . 1 1 66 66 GLN H H 1 7.193 0.01 . 1 . . . . 153 GLN HN . 15235 1 110 . 1 1 66 66 GLN N N 15 111.902 0.07 . 1 . . . . 153 GLN N . 15235 1 111 . 1 1 67 67 ILE H H 1 8.487 0.01 . 1 . . . . 154 ILE HN . 15235 1 112 . 1 1 67 67 ILE N N 15 123.776 0.07 . 1 . . . . 154 ILE N . 15235 1 113 . 1 1 68 68 ARG H H 1 9.295 0.01 . 1 . . . . 155 ARG HN . 15235 1 114 . 1 1 68 68 ARG N N 15 129.438 0.07 . 1 . . . . 155 ARG N . 15235 1 115 . 1 1 70 70 SER H H 1 9.358 0.01 . 1 . . . . 157 SER HN . 15235 1 116 . 1 1 70 70 SER N N 15 120.723 0.07 . 1 . . . . 157 SER N . 15235 1 117 . 1 1 71 71 SER H H 1 7.377 0.01 . 1 . . . . 158 SER HN . 15235 1 118 . 1 1 71 71 SER N N 15 120.873 0.07 . 1 . . . . 158 SER N . 15235 1 119 . 1 1 73 73 SER H H 1 7.860 0.01 . 1 . . . . 160 SER HN . 15235 1 120 . 1 1 73 73 SER N N 15 112.715 0.07 . 1 . . . . 160 SER N . 15235 1 121 . 1 1 74 74 SER H H 1 8.192 0.01 . 1 . . . . 161 SER HN . 15235 1 122 . 1 1 74 74 SER N N 15 113.896 0.07 . 1 . . . . 161 SER N . 15235 1 123 . 1 1 75 75 GLY H H 1 7.874 0.01 . 1 . . . . 162 GLY HN . 15235 1 124 . 1 1 75 75 GLY N N 15 112.031 0.07 . 1 . . . . 162 GLY N . 15235 1 125 . 1 1 77 77 LYS H H 1 9.043 0.01 . 1 . . . . 164 LYS HN . 15235 1 126 . 1 1 77 77 LYS N N 15 122.051 0.07 . 1 . . . . 164 LYS N . 15235 1 127 . 1 1 78 78 ARG H H 1 9.006 0.01 . 1 . . . . 165 ARG HN . 15235 1 128 . 1 1 78 78 ARG N N 15 126.829 0.07 . 1 . . . . 165 ARG N . 15235 1 129 . 1 1 79 79 TYR H H 1 9.552 0.01 . 1 . . . . 166 TYR HN . 15235 1 130 . 1 1 79 79 TYR N N 15 121.101 0.07 . 1 . . . . 166 TYR N . 15235 1 131 . 1 1 80 80 ASP H H 1 8.977 0.01 . 1 . . . . 167 ASP HN . 15235 1 132 . 1 1 80 80 ASP N N 15 121.356 0.07 . 1 . . . . 167 ASP N . 15235 1 133 . 1 1 81 81 TRP H H 1 9.367 0.01 . 1 . . . . 168 TRP HN . 15235 1 134 . 1 1 81 81 TRP HE1 H 1 10.192 0.01 . 1 . . . . 168 TRP HE1 . 15235 1 135 . 1 1 81 81 TRP N N 15 122.544 0.07 . 1 . . . . 168 TRP N . 15235 1 136 . 1 1 81 81 TRP NE1 N 15 127.774 0.07 . 1 . . . . 168 TRP NE1 . 15235 1 137 . 1 1 83 83 GLY H H 1 8.557 0.01 . 1 . . . . 170 GLY HN . 15235 1 138 . 1 1 83 83 GLY N N 15 113.872 0.07 . 1 . . . . 170 GLY N . 15235 1 139 . 1 1 84 84 LYS H H 1 6.718 0.01 . 1 . . . . 171 LYS HN . 15235 1 140 . 1 1 84 84 LYS N N 15 114.466 0.07 . 1 . . . . 171 LYS N . 15235 1 141 . 1 1 85 85 ASN H H 1 6.612 0.01 . 1 . . . . 172 ASN HN . 15235 1 142 . 1 1 85 85 ASN N N 15 116.293 0.07 . 1 . . . . 172 ASN N . 15235 1 143 . 1 1 86 86 TRP H H 1 8.922 0.01 . 1 . . . . 173 TRP HN . 15235 1 144 . 1 1 86 86 TRP HE1 H 1 9.956 0.01 . 1 . . . . 173 TRP HE1 . 15235 1 145 . 1 1 86 86 TRP N N 15 119.165 0.07 . 1 . . . . 173 TRP N . 15235 1 146 . 1 1 86 86 TRP NE1 N 15 129.374 0.07 . 1 . . . . 173 TRP NE1 . 15235 1 147 . 1 1 87 87 VAL H H 1 9.577 0.01 . 1 . . . . 174 VAL HN . 15235 1 148 . 1 1 87 87 VAL N N 15 121.406 0.07 . 1 . . . . 174 VAL N . 15235 1 149 . 1 1 89 89 SER H H 1 9.310 0.01 . 1 . . . . 176 SER HN . 15235 1 150 . 1 1 89 89 SER N N 15 126.739 0.07 . 1 . . . . 176 SER N . 15235 1 151 . 1 1 90 90 HIS H H 1 5.949 0.01 . 1 . . . . 177 HIS HN . 15235 1 152 . 1 1 90 90 HIS N N 15 116.175 0.07 . 1 . . . . 177 HIS N . 15235 1 153 . 1 1 91 91 ASP H H 1 6.790 0.01 . 1 . . . . 178 ASP HN . 15235 1 154 . 1 1 91 91 ASP N N 15 112.910 0.07 . 1 . . . . 178 ASP N . 15235 1 155 . 1 1 92 92 GLY H H 1 8.636 0.01 . 1 . . . . 179 GLY HN . 15235 1 156 . 1 1 92 92 GLY N N 15 109.649 0.07 . 1 . . . . 179 GLY N . 15235 1 157 . 1 1 93 93 VAL H H 1 8.674 0.01 . 1 . . . . 180 VAL HN . 15235 1 158 . 1 1 93 93 VAL N N 15 124.473 0.07 . 1 . . . . 180 VAL N . 15235 1 159 . 1 1 94 94 SER H H 1 9.235 0.01 . 1 . . . . 181 SER HN . 15235 1 160 . 1 1 94 94 SER N N 15 127.305 0.07 . 1 . . . . 181 SER N . 15235 1 161 . 1 1 95 95 LEU H H 1 8.291 0.01 . 1 . . . . 182 LEU HN . 15235 1 162 . 1 1 95 95 LEU N N 15 124.297 0.07 . 1 . . . . 182 LEU N . 15235 1 163 . 1 1 96 96 HIS H H 1 7.611 0.01 . 1 . . . . 183 HIS HN . 15235 1 164 . 1 1 96 96 HIS N N 15 115.117 0.07 . 1 . . . . 183 HIS N . 15235 1 165 . 1 1 97 97 GLU H H 1 8.277 0.01 . 1 . . . . 184 GLU HN . 15235 1 166 . 1 1 97 97 GLU N N 15 122.578 0.07 . 1 . . . . 184 GLU N . 15235 1 167 . 1 1 98 98 LEU H H 1 8.427 0.01 . 1 . . . . 185 LEU HN . 15235 1 168 . 1 1 98 98 LEU N N 15 123.867 0.07 . 1 . . . . 185 LEU N . 15235 1 169 . 1 1 99 99 LEU H H 1 8.137 0.01 . 1 . . . . 186 LEU HN . 15235 1 170 . 1 1 99 99 LEU N N 15 117.305 0.07 . 1 . . . . 186 LEU N . 15235 1 171 . 1 1 100 100 ALA H H 1 7.983 0.01 . 1 . . . . 187 ALA HN . 15235 1 172 . 1 1 100 100 ALA N N 15 119.414 0.07 . 1 . . . . 187 ALA N . 15235 1 173 . 1 1 101 101 ALA H H 1 7.970 0.01 . 1 . . . . 188 ALA HN . 15235 1 174 . 1 1 101 101 ALA N N 15 121.854 0.07 . 1 . . . . 188 ALA N . 15235 1 175 . 1 1 102 102 GLU H H 1 8.869 0.01 . 1 . . . . 189 GLU HN . 15235 1 176 . 1 1 102 102 GLU N N 15 117.031 0.07 . 1 . . . . 189 GLU N . 15235 1 177 . 1 1 103 103 LEU H H 1 9.270 0.01 . 1 . . . . 190 LEU HN . 15235 1 178 . 1 1 103 103 LEU N N 15 120.225 0.07 . 1 . . . . 190 LEU N . 15235 1 179 . 1 1 104 104 THR H H 1 7.953 0.01 . 1 . . . . 191 THR HN . 15235 1 180 . 1 1 104 104 THR N N 15 117.578 0.07 . 1 . . . . 191 THR N . 15235 1 181 . 1 1 105 105 LYS H H 1 7.071 0.01 . 1 . . . . 192 LYS HN . 15235 1 182 . 1 1 105 105 LYS N N 15 119.434 0.07 . 1 . . . . 192 LYS N . 15235 1 183 . 1 1 106 106 ALA H H 1 8.253 0.01 . 1 . . . . 193 ALA HN . 15235 1 184 . 1 1 106 106 ALA N N 15 120.078 0.07 . 1 . . . . 193 ALA N . 15235 1 185 . 1 1 107 107 LEU H H 1 8.664 0.01 . 1 . . . . 194 LEU HN . 15235 1 186 . 1 1 107 107 LEU N N 15 112.266 0.07 . 1 . . . . 194 LEU N . 15235 1 187 . 1 1 108 108 LYS H H 1 7.488 0.01 . 1 . . . . 195 LYS HN . 15235 1 188 . 1 1 108 108 LYS N N 15 115.586 0.07 . 1 . . . . 195 LYS N . 15235 1 189 . 1 1 109 109 THR H H 1 7.361 0.01 . 1 . . . . 196 THR HN . 15235 1 190 . 1 1 109 109 THR N N 15 113.614 0.07 . 1 . . . . 196 THR N . 15235 1 191 . 1 1 111 111 LEU H H 1 8.055 0.01 . 1 . . . . 198 LEU HN . 15235 1 192 . 1 1 111 111 LEU N N 15 130.371 0.07 . 1 . . . . 198 LEU N . 15235 1 193 . 1 1 112 112 ASP H H 1 8.336 0.01 . 1 . . . . 199 ASP HN . 15235 1 194 . 1 1 112 112 ASP N N 15 123.360 0.07 . 1 . . . . 199 ASP N . 15235 1 195 . 1 1 113 113 LEU H H 1 8.135 0.01 . 1 . . . . 200 LEU HN . 15235 1 196 . 1 1 113 113 LEU N N 15 128.653 0.07 . 1 . . . . 200 LEU N . 15235 1 197 . 1 1 114 114 SER H H 1 8.342 0.01 . 1 . . . . 201 SER HN . 15235 1 198 . 1 1 114 114 SER N N 15 114.492 0.07 . 1 . . . . 201 SER N . 15235 1 199 . 1 1 115 115 SER H H 1 8.272 0.01 . 1 . . . . 202 SER HN . 15235 1 200 . 1 1 115 115 SER N N 15 115.740 0.07 . 1 . . . . 202 SER N . 15235 1 201 . 1 1 116 116 LEU H H 1 7.002 0.01 . 1 . . . . 203 LEU HN . 15235 1 202 . 1 1 116 116 LEU N N 15 121.836 0.07 . 1 . . . . 203 LEU N . 15235 1 203 . 1 1 117 117 ALA H H 1 7.983 0.01 . 1 . . . . 204 ALA HN . 15235 1 204 . 1 1 117 117 ALA N N 15 121.992 0.07 . 1 . . . . 204 ALA N . 15235 1 205 . 1 1 118 118 TYR H H 1 8.427 0.01 . 1 . . . . 205 TYR HN . 15235 1 206 . 1 1 118 118 TYR N N 15 113.445 0.07 . 1 . . . . 205 TYR N . 15235 1 207 . 1 1 119 119 SER H H 1 7.512 0.01 . 1 . . . . 206 SER HN . 15235 1 208 . 1 1 119 119 SER N N 15 110.879 0.07 . 1 . . . . 206 SER N . 15235 1 209 . 1 1 120 120 GLY H H 1 8.879 0.01 . 1 . . . . 207 GLY HN . 15235 1 210 . 1 1 120 120 GLY N N 15 111.953 0.07 . 1 . . . . 207 GLY N . 15235 1 211 . 1 1 122 122 ASP H H 1 8.623 0.01 . 1 . . . . 209 ASP HN . 15235 1 212 . 1 1 122 122 ASP N N 15 122.715 0.07 . 1 . . . . 209 ASP N . 15235 1 stop_ save_