################################### # 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 26700 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 26700 1 2 '3D HNCA' . . . 26700 1 3 '3D HNCACB' . . . 26700 1 4 '3D CBCA(CO)NH' . . . 26700 1 5 '3D 1H-15N NOESY' . . . 26700 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 $SPARKY . . 26700 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 3 3 MET H H 1 8.439 0.05 . 1 . . . . 97 MET HN . 26700 1 2 . 1 1 3 3 MET N N 15 119.282 0.2 . 1 . . . . 97 MET N . 26700 1 3 . 1 1 4 4 GLU H H 1 8.324 0.05 . 1 . . . . 98 GLU HN . 26700 1 4 . 1 1 4 4 GLU N N 15 123.342 0.2 . 1 . . . . 98 GLU N . 26700 1 5 . 1 1 6 6 GLU H H 1 8.640 0.05 . 1 . . . . 100 GLU HN . 26700 1 6 . 1 1 6 6 GLU N N 15 120.875 0.2 . 1 . . . . 100 GLU N . 26700 1 7 . 1 1 7 7 ASN H H 1 8.341 0.05 . 1 . . . . 101 ASN HN . 26700 1 8 . 1 1 7 7 ASN N N 15 119.283 0.2 . 1 . . . . 101 ASN N . 26700 1 9 . 1 1 8 8 LYS H H 1 8.330 0.05 . 1 . . . . 102 LYS HN . 26700 1 10 . 1 1 8 8 LYS N N 15 121.730 0.2 . 1 . . . . 102 LYS N . 26700 1 11 . 1 1 9 9 TYR H H 1 7.966 0.05 . 1 . . . . 103 TYR HN . 26700 1 12 . 1 1 9 9 TYR N N 15 120.011 0.2 . 1 . . . . 103 TYR N . 26700 1 13 . 1 1 10 10 LEU H H 1 8.387 0.05 . 1 . . . . 104 LEU HN . 26700 1 14 . 1 1 10 10 LEU N N 15 118.002 0.2 . 1 . . . . 104 LEU N . 26700 1 15 . 1 1 12 12 GLU H H 1 7.672 0.05 . 1 . . . . 106 GLU HN . 26700 1 16 . 1 1 12 12 GLU N N 15 117.688 0.2 . 1 . . . . 106 GLU N . 26700 1 17 . 1 1 13 13 LEU H H 1 8.207 0.05 . 1 . . . . 107 LEU HN . 26700 1 18 . 1 1 13 13 LEU N N 15 120.724 0.2 . 1 . . . . 107 LEU N . 26700 1 19 . 1 1 14 14 MET H H 1 8.277 0.05 . 1 . . . . 108 MET HN . 26700 1 20 . 1 1 14 14 MET N N 15 116.578 0.2 . 1 . . . . 108 MET N . 26700 1 21 . 1 1 15 15 ALA H H 1 7.909 0.05 . 1 . . . . 109 ALA HN . 26700 1 22 . 1 1 15 15 ALA N N 15 121.060 0.2 . 1 . . . . 109 ALA N . 26700 1 23 . 1 1 16 16 GLU H H 1 7.900 0.05 . 1 . . . . 110 GLU HN . 26700 1 24 . 1 1 16 16 GLU N N 15 119.872 0.2 . 1 . . . . 110 GLU N . 26700 1 25 . 1 1 17 17 LYS H H 1 8.309 0.05 . 1 . . . . 111 LYS HN . 26700 1 26 . 1 1 17 17 LYS N N 15 119.540 0.2 . 1 . . . . 111 LYS N . 26700 1 27 . 1 1 18 18 ASP H H 1 7.989 0.05 . 1 . . . . 112 ASP HN . 26700 1 28 . 1 1 18 18 ASP N N 15 115.409 0.2 . 1 . . . . 112 ASP N . 26700 1 29 . 1 1 19 19 SER H H 1 7.625 0.05 . 1 . . . . 113 SER HN . 26700 1 30 . 1 1 19 19 SER N N 15 112.258 0.2 . 1 . . . . 113 SER N . 26700 1 31 . 1 1 20 20 LEU H H 1 7.781 0.05 . 1 . . . . 114 LEU HN . 26700 1 32 . 1 1 20 20 LEU N N 15 126.609 0.2 . 1 . . . . 114 LEU N . 26700 1 33 . 1 1 21 21 ASP H H 1 8.105 0.05 . 1 . . . . 115 ASP HN . 26700 1 34 . 1 1 21 21 ASP N N 15 127.441 0.2 . 1 . . . . 115 ASP N . 26700 1 35 . 1 1 23 23 SER H H 1 8.749 0.05 . 1 . . . . 117 SER HN . 26700 1 36 . 1 1 23 23 SER N N 15 114.806 0.2 . 1 . . . . 117 SER N . 26700 1 37 . 1 1 24 24 PHE H H 1 7.996 0.05 . 1 . . . . 118 PHE HN . 26700 1 38 . 1 1 24 24 PHE N N 15 124.991 0.2 . 1 . . . . 118 PHE N . 26700 1 39 . 1 1 25 25 THR H H 1 7.369 0.05 . 1 . . . . 119 THR HN . 26700 1 40 . 1 1 25 25 THR N N 15 115.863 0.2 . 1 . . . . 119 THR N . 26700 1 41 . 1 1 26 26 HIS H H 1 11.904 0.05 . 1 . . . . 120 HIS HN . 26700 1 42 . 1 1 26 26 HIS N N 15 127.125 0.2 . 1 . . . . 120 HIS N . 26700 1 43 . 1 1 27 27 ALA H H 1 11.049 0.05 . 1 . . . . 121 ALA HN . 26700 1 44 . 1 1 27 27 ALA N N 15 127.312 0.2 . 1 . . . . 121 ALA N . 26700 1 45 . 1 1 28 28 MET H H 1 8.492 0.05 . 1 . . . . 122 MET HN . 26700 1 46 . 1 1 28 28 MET N N 15 114.874 0.2 . 1 . . . . 122 MET N . 26700 1 47 . 1 1 29 29 GLN H H 1 7.953 0.05 . 1 . . . . 123 GLN HN . 26700 1 48 . 1 1 29 29 GLN N N 15 122.560 0.2 . 1 . . . . 123 GLN N . 26700 1 49 . 1 1 30 30 LEU H H 1 8.880 0.05 . 1 . . . . 124 LEU HN . 26700 1 50 . 1 1 30 30 LEU N N 15 121.329 0.2 . 1 . . . . 124 LEU N . 26700 1 51 . 1 1 31 31 LEU H H 1 8.674 0.05 . 1 . . . . 125 LEU HN . 26700 1 52 . 1 1 31 31 LEU N N 15 120.972 0.2 . 1 . . . . 125 LEU N . 26700 1 53 . 1 1 32 32 THR H H 1 8.165 0.05 . 1 . . . . 126 THR HN . 26700 1 54 . 1 1 32 32 THR N N 15 114.732 0.2 . 1 . . . . 126 THR N . 26700 1 55 . 1 1 33 33 ALA H H 1 8.237 0.05 . 1 . . . . 127 ALA HN . 26700 1 56 . 1 1 33 33 ALA N N 15 123.318 0.2 . 1 . . . . 127 ALA N . 26700 1 57 . 1 1 34 34 GLU H H 1 7.884 0.05 . 1 . . . . 128 GLU HN . 26700 1 58 . 1 1 34 34 GLU N N 15 121.532 0.2 . 1 . . . . 128 GLU N . 26700 1 59 . 1 1 35 35 ILE H H 1 8.210 0.05 . 1 . . . . 129 ILE HN . 26700 1 60 . 1 1 35 35 ILE N N 15 119.728 0.2 . 1 . . . . 129 ILE N . 26700 1 61 . 1 1 36 36 GLU H H 1 8.037 0.05 . 1 . . . . 130 GLU HN . 26700 1 62 . 1 1 36 36 GLU N N 15 118.067 0.2 . 1 . . . . 130 GLU N . 26700 1 63 . 1 1 37 37 LYS H H 1 7.935 0.05 . 1 . . . . 131 LYS HN . 26700 1 64 . 1 1 37 37 LYS N N 15 119.709 0.2 . 1 . . . . 131 LYS N . 26700 1 65 . 1 1 38 38 ILE H H 1 7.969 0.05 . 1 . . . . 132 ILE HN . 26700 1 66 . 1 1 38 38 ILE N N 15 119.447 0.2 . 1 . . . . 132 ILE N . 26700 1 67 . 1 1 39 39 GLN H H 1 8.463 0.05 . 1 . . . . 133 GLN HN . 26700 1 68 . 1 1 39 39 GLN N N 15 118.939 0.2 . 1 . . . . 133 GLN N . 26700 1 69 . 1 1 40 40 LYS H H 1 8.053 0.05 . 1 . . . . 134 LYS HN . 26700 1 70 . 1 1 40 40 LYS N N 15 117.519 0.2 . 1 . . . . 134 LYS N . 26700 1 71 . 1 1 41 41 GLY H H 1 7.738 0.05 . 1 . . . . 135 GLY HN . 26700 1 72 . 1 1 41 41 GLY N N 15 107.446 0.2 . 1 . . . . 135 GLY N . 26700 1 73 . 1 1 42 42 ASP H H 1 8.201 0.05 . 1 . . . . 136 ASP HN . 26700 1 74 . 1 1 42 42 ASP N N 15 120.393 0.2 . 1 . . . . 136 ASP N . 26700 1 75 . 1 1 43 43 SER H H 1 8.216 0.05 . 1 . . . . 137 SER HN . 26700 1 76 . 1 1 43 43 SER N N 15 116.232 0.2 . 1 . . . . 137 SER N . 26700 1 77 . 1 1 44 44 LYS H H 1 8.280 0.05 . 1 . . . . 138 LYS HN . 26700 1 78 . 1 1 44 44 LYS N N 15 123.318 0.2 . 1 . . . . 138 LYS N . 26700 1 79 . 1 1 45 45 LYS H H 1 8.329 0.05 . 1 . . . . 139 LYS HN . 26700 1 80 . 1 1 45 45 LYS N N 15 123.279 0.2 . 1 . . . . 139 LYS N . 26700 1 81 . 1 1 46 46 ASP H H 1 8.368 0.05 . 1 . . . . 140 ASP HN . 26700 1 82 . 1 1 46 46 ASP N N 15 121.764 0.2 . 1 . . . . 140 ASP N . 26700 1 83 . 1 1 47 47 ASP H H 1 8.223 0.05 . 1 . . . . 141 ASP HN . 26700 1 84 . 1 1 47 47 ASP N N 15 120.309 0.2 . 1 . . . . 141 ASP N . 26700 1 85 . 1 1 49 49 GLU H H 1 8.251 0.05 . 1 . . . . 143 GLU HN . 26700 1 86 . 1 1 49 49 GLU N N 15 120.456 0.2 . 1 . . . . 143 GLU N . 26700 1 87 . 1 1 50 50 ASN H H 1 8.127 0.05 . 1 . . . . 144 ASN HN . 26700 1 88 . 1 1 50 50 ASN N N 15 119.399 0.2 . 1 . . . . 144 ASN N . 26700 1 89 . 1 1 51 51 TYR H H 1 7.957 0.05 . 1 . . . . 145 TYR HN . 26700 1 90 . 1 1 51 51 TYR N N 15 118.858 0.2 . 1 . . . . 145 TYR N . 26700 1 91 . 1 1 52 52 LEU H H 1 9.303 0.05 . 1 . . . . 146 LEU HN . 26700 1 92 . 1 1 52 52 LEU N N 15 122.332 0.2 . 1 . . . . 146 LEU N . 26700 1 93 . 1 1 53 53 ASP H H 1 8.750 0.05 . 1 . . . . 147 ASP HN . 26700 1 94 . 1 1 53 53 ASP N N 15 122.913 0.2 . 1 . . . . 147 ASP N . 26700 1 95 . 1 1 54 54 LEU H H 1 9.241 0.05 . 1 . . . . 148 LEU HN . 26700 1 96 . 1 1 54 54 LEU N N 15 123.472 0.2 . 1 . . . . 148 LEU N . 26700 1 97 . 1 1 55 55 PHE H H 1 8.537 0.05 . 1 . . . . 149 PHE HN . 26700 1 98 . 1 1 55 55 PHE N N 15 117.359 0.2 . 1 . . . . 149 PHE N . 26700 1 99 . 1 1 56 56 SER H H 1 7.351 0.05 . 1 . . . . 150 SER HN . 26700 1 100 . 1 1 56 56 SER N N 15 114.677 0.2 . 1 . . . . 150 SER N . 26700 1 101 . 1 1 58 58 LYS H H 1 7.960 0.05 . 1 . . . . 152 LYS HN . 26700 1 102 . 1 1 58 58 LYS N N 15 121.589 0.2 . 1 . . . . 152 LYS N . 26700 1 103 . 1 1 59 59 ASN H H 1 8.457 0.05 . 1 . . . . 153 ASN HN . 26700 1 104 . 1 1 59 59 ASN N N 15 122.180 0.2 . 1 . . . . 153 ASN N . 26700 1 105 . 1 1 60 60 MET H H 1 8.853 0.05 . 1 . . . . 154 MET HN . 26700 1 106 . 1 1 60 60 MET N N 15 121.288 0.2 . 1 . . . . 154 MET N . 26700 1 107 . 1 1 61 61 LYS H H 1 8.235 0.05 . 1 . . . . 155 LYS HN . 26700 1 108 . 1 1 61 61 LYS N N 15 120.007 0.2 . 1 . . . . 155 LYS N . 26700 1 109 . 1 1 62 62 LEU H H 1 8.363 0.05 . 1 . . . . 156 LEU HN . 26700 1 110 . 1 1 62 62 LEU N N 15 123.642 0.2 . 1 . . . . 156 LEU N . 26700 1 111 . 1 1 63 63 LYS H H 1 8.398 0.05 . 1 . . . . 157 LYS HN . 26700 1 112 . 1 1 63 63 LYS N N 15 119.458 0.2 . 1 . . . . 157 LYS N . 26700 1 113 . 1 1 64 64 GLU H H 1 8.561 0.05 . 1 . . . . 158 GLU HN . 26700 1 114 . 1 1 64 64 GLU N N 15 119.800 0.2 . 1 . . . . 158 GLU N . 26700 1 115 . 1 1 65 65 ARG H H 1 9.105 0.05 . 1 . . . . 159 ARG HN . 26700 1 116 . 1 1 65 65 ARG N N 15 120.189 0.2 . 1 . . . . 159 ARG N . 26700 1 117 . 1 1 66 66 VAL H H 1 9.730 0.05 . 1 . . . . 160 VAL HN . 26700 1 118 . 1 1 66 66 VAL N N 15 123.667 0.2 . 1 . . . . 160 VAL N . 26700 1 119 . 1 1 67 67 LEU H H 1 8.952 0.05 . 1 . . . . 161 LEU HN . 26700 1 120 . 1 1 67 67 LEU N N 15 128.260 0.2 . 1 . . . . 161 LEU N . 26700 1 121 . 1 1 68 68 ILE H H 1 7.303 0.05 . 1 . . . . 162 ILE HN . 26700 1 122 . 1 1 68 68 ILE N N 15 122.382 0.2 . 1 . . . . 162 ILE N . 26700 1 123 . 1 1 70 70 VAL H H 1 8.754 0.05 . 1 . . . . 164 VAL HN . 26700 1 124 . 1 1 70 70 VAL N N 15 122.154 0.2 . 1 . . . . 164 VAL N . 26700 1 125 . 1 1 71 71 LYS H H 1 8.299 0.05 . 1 . . . . 165 LYS HN . 26700 1 126 . 1 1 71 71 LYS N N 15 118.027 0.2 . 1 . . . . 165 LYS N . 26700 1 127 . 1 1 72 72 GLN H H 1 7.403 0.05 . 1 . . . . 166 GLN HN . 26700 1 128 . 1 1 72 72 GLN N N 15 117.137 0.2 . 1 . . . . 166 GLN N . 26700 1 129 . 1 1 73 73 TYR H H 1 7.374 0.05 . 1 . . . . 167 TYR HN . 26700 1 130 . 1 1 73 73 TYR N N 15 115.610 0.2 . 1 . . . . 167 TYR N . 26700 1 131 . 1 1 75 75 LYS H H 1 8.649 0.05 . 1 . . . . 169 LYS HN . 26700 1 132 . 1 1 75 75 LYS N N 15 116.317 0.2 . 1 . . . . 169 LYS N . 26700 1 133 . 1 1 76 76 PHE H H 1 7.438 0.05 . 1 . . . . 170 PHE HN . 26700 1 134 . 1 1 76 76 PHE N N 15 120.965 0.2 . 1 . . . . 170 PHE N . 26700 1 135 . 1 1 78 78 PHE H H 1 8.092 0.05 . 1 . . . . 172 PHE HN . 26700 1 136 . 1 1 78 78 PHE N N 15 123.670 0.2 . 1 . . . . 172 PHE N . 26700 1 137 . 1 1 79 79 VAL H H 1 8.283 0.05 . 1 . . . . 173 VAL HN . 26700 1 138 . 1 1 79 79 VAL N N 15 117.904 0.2 . 1 . . . . 173 VAL N . 26700 1 139 . 1 1 80 80 GLY H H 1 7.696 0.05 . 1 . . . . 174 GLY HN . 26700 1 140 . 1 1 80 80 GLY N N 15 103.892 0.2 . 1 . . . . 174 GLY N . 26700 1 141 . 1 1 81 81 LYS H H 1 7.201 0.05 . 1 . . . . 175 LYS HN . 26700 1 142 . 1 1 81 81 LYS N N 15 121.351 0.2 . 1 . . . . 175 LYS N . 26700 1 143 . 1 1 82 82 ILE H H 1 7.997 0.05 . 1 . . . . 176 ILE HN . 26700 1 144 . 1 1 82 82 ILE N N 15 117.477 0.2 . 1 . . . . 176 ILE N . 26700 1 145 . 1 1 83 83 LEU H H 1 7.994 0.05 . 1 . . . . 177 LEU HN . 26700 1 146 . 1 1 83 83 LEU N N 15 114.544 0.2 . 1 . . . . 177 LEU N . 26700 1 147 . 1 1 84 84 GLY H H 1 7.498 0.05 . 1 . . . . 178 GLY HN . 26700 1 148 . 1 1 84 84 GLY N N 15 104.896 0.2 . 1 . . . . 178 GLY N . 26700 1 149 . 1 1 87 87 GLY H H 1 8.025 0.05 . 1 . . . . 181 GLY HN . 26700 1 150 . 1 1 87 87 GLY N N 15 106.309 0.2 . 1 . . . . 181 GLY N . 26700 1 151 . 1 1 88 88 ASN H H 1 8.292 0.05 . 1 . . . . 182 ASN HN . 26700 1 152 . 1 1 88 88 ASN N N 15 117.623 0.2 . 1 . . . . 182 ASN N . 26700 1 153 . 1 1 89 89 THR H H 1 7.432 0.05 . 1 . . . . 183 THR HN . 26700 1 154 . 1 1 89 89 THR N N 15 123.212 0.2 . 1 . . . . 183 THR N . 26700 1 155 . 1 1 90 90 ILE H H 1 7.592 0.05 . 1 . . . . 184 ILE HN . 26700 1 156 . 1 1 90 90 ILE N N 15 124.453 0.2 . 1 . . . . 184 ILE N . 26700 1 157 . 1 1 91 91 LYS H H 1 7.674 0.05 . 1 . . . . 185 LYS HN . 26700 1 158 . 1 1 91 91 LYS N N 15 120.498 0.2 . 1 . . . . 185 LYS N . 26700 1 159 . 1 1 95 95 GLU H H 1 8.040 0.05 . 1 . . . . 189 GLU HN . 26700 1 160 . 1 1 95 95 GLU N N 15 120.663 0.2 . 1 . . . . 189 GLU N . 26700 1 161 . 1 1 96 96 GLU H H 1 8.707 0.05 . 1 . . . . 190 GLU HN . 26700 1 162 . 1 1 96 96 GLU N N 15 116.774 0.2 . 1 . . . . 190 GLU N . 26700 1 163 . 1 1 97 97 THR H H 1 7.720 0.05 . 1 . . . . 191 THR HN . 26700 1 164 . 1 1 97 97 THR N N 15 105.069 0.2 . 1 . . . . 191 THR N . 26700 1 165 . 1 1 98 98 GLY H H 1 8.065 0.05 . 1 . . . . 192 GLY HN . 26700 1 166 . 1 1 98 98 GLY N N 15 109.796 0.2 . 1 . . . . 192 GLY N . 26700 1 167 . 1 1 99 99 ALA H H 1 7.795 0.05 . 1 . . . . 193 ALA HN . 26700 1 168 . 1 1 99 99 ALA N N 15 121.702 0.2 . 1 . . . . 193 ALA N . 26700 1 169 . 1 1 100 100 LYS H H 1 8.527 0.05 . 1 . . . . 194 LYS HN . 26700 1 170 . 1 1 100 100 LYS N N 15 121.193 0.2 . 1 . . . . 194 LYS N . 26700 1 171 . 1 1 101 101 ILE H H 1 8.093 0.05 . 1 . . . . 195 ILE HN . 26700 1 172 . 1 1 101 101 ILE N N 15 125.457 0.2 . 1 . . . . 195 ILE N . 26700 1 173 . 1 1 102 102 SER H H 1 8.625 0.05 . 1 . . . . 196 SER HN . 26700 1 174 . 1 1 102 102 SER N N 15 118.974 0.2 . 1 . . . . 196 SER N . 26700 1 175 . 1 1 103 103 VAL H H 1 8.664 0.05 . 1 . . . . 197 VAL HN . 26700 1 176 . 1 1 103 103 VAL N N 15 124.380 0.2 . 1 . . . . 197 VAL N . 26700 1 177 . 1 1 104 104 LEU H H 1 8.279 0.05 . 1 . . . . 198 LEU HN . 26700 1 178 . 1 1 104 104 LEU N N 15 127.555 0.2 . 1 . . . . 198 LEU N . 26700 1 179 . 1 1 105 105 GLY H H 1 9.845 0.05 . 1 . . . . 199 GLY HN . 26700 1 180 . 1 1 105 105 GLY N N 15 106.469 0.2 . 1 . . . . 199 GLY N . 26700 1 181 . 1 1 106 106 LYS H H 1 8.620 0.05 . 1 . . . . 200 LYS HN . 26700 1 182 . 1 1 106 106 LYS N N 15 121.409 0.2 . 1 . . . . 200 LYS N . 26700 1 183 . 1 1 107 107 GLY H H 1 11.141 0.05 . 1 . . . . 201 GLY HN . 26700 1 184 . 1 1 107 107 GLY N N 15 117.415 0.2 . 1 . . . . 201 GLY N . 26700 1 185 . 1 1 108 108 SER H H 1 8.469 0.05 . 1 . . . . 202 SER HN . 26700 1 186 . 1 1 108 108 SER N N 15 115.721 0.2 . 1 . . . . 202 SER N . 26700 1 187 . 1 1 111 111 ASP H H 1 7.767 0.05 . 1 . . . . 205 ASP HN . 26700 1 188 . 1 1 111 111 ASP N N 15 117.006 0.2 . 1 . . . . 205 ASP N . 26700 1 189 . 1 1 112 112 LYS H H 1 8.560 0.05 . 1 . . . . 206 LYS HN . 26700 1 190 . 1 1 112 112 LYS N N 15 126.456 0.2 . 1 . . . . 206 LYS N . 26700 1 191 . 1 1 113 113 ALA H H 1 8.168 0.05 . 1 . . . . 207 ALA HN . 26700 1 192 . 1 1 113 113 ALA N N 15 121.989 0.2 . 1 . . . . 207 ALA N . 26700 1 193 . 1 1 114 114 LYS H H 1 7.752 0.05 . 1 . . . . 208 LYS HN . 26700 1 194 . 1 1 114 114 LYS N N 15 121.073 0.2 . 1 . . . . 208 LYS N . 26700 1 195 . 1 1 115 115 GLU H H 1 8.200 0.05 . 1 . . . . 209 GLU HN . 26700 1 196 . 1 1 115 115 GLU N N 15 118.218 0.2 . 1 . . . . 209 GLU N . 26700 1 197 . 1 1 116 116 GLU H H 1 7.793 0.05 . 1 . . . . 210 GLU HN . 26700 1 198 . 1 1 116 116 GLU N N 15 117.244 0.2 . 1 . . . . 210 GLU N . 26700 1 199 . 1 1 117 117 GLU H H 1 7.555 0.05 . 1 . . . . 211 GLU HN . 26700 1 200 . 1 1 117 117 GLU N N 15 118.930 0.2 . 1 . . . . 211 GLU N . 26700 1 201 . 1 1 118 118 LEU H H 1 8.184 0.05 . 1 . . . . 212 LEU HN . 26700 1 202 . 1 1 118 118 LEU N N 15 119.765 0.2 . 1 . . . . 212 LEU N . 26700 1 203 . 1 1 119 119 ARG H H 1 8.562 0.05 . 1 . . . . 213 ARG HN . 26700 1 204 . 1 1 119 119 ARG N N 15 121.200 0.2 . 1 . . . . 213 ARG N . 26700 1 205 . 1 1 120 120 LYS H H 1 7.927 0.05 . 1 . . . . 214 LYS HN . 26700 1 206 . 1 1 120 120 LYS N N 15 117.665 0.2 . 1 . . . . 214 LYS N . 26700 1 207 . 1 1 121 121 GLY H H 1 7.644 0.05 . 1 . . . . 215 GLY HN . 26700 1 208 . 1 1 121 121 GLY N N 15 105.434 0.2 . 1 . . . . 215 GLY N . 26700 1 209 . 1 1 122 122 GLY H H 1 7.310 0.05 . 1 . . . . 216 GLY HN . 26700 1 210 . 1 1 122 122 GLY N N 15 105.361 0.2 . 1 . . . . 216 GLY N . 26700 1 211 . 1 1 123 123 ASP H H 1 8.936 0.05 . 1 . . . . 217 ASP HN . 26700 1 212 . 1 1 123 123 ASP N N 15 124.562 0.2 . 1 . . . . 217 ASP N . 26700 1 213 . 1 1 125 125 LYS H H 1 8.832 0.05 . 1 . . . . 219 LYS HN . 26700 1 214 . 1 1 125 125 LYS N N 15 120.083 0.2 . 1 . . . . 219 LYS N . 26700 1 215 . 1 1 126 126 TYR H H 1 7.721 0.05 . 1 . . . . 220 TYR HN . 26700 1 216 . 1 1 126 126 TYR N N 15 115.103 0.2 . 1 . . . . 220 TYR N . 26700 1 217 . 1 1 127 127 ALA H H 1 7.426 0.05 . 1 . . . . 221 ALA HN . 26700 1 218 . 1 1 127 127 ALA N N 15 123.994 0.2 . 1 . . . . 221 ALA N . 26700 1 219 . 1 1 128 128 HIS H H 1 8.133 0.05 . 1 . . . . 222 HIS HN . 26700 1 220 . 1 1 128 128 HIS N N 15 115.772 0.2 . 1 . . . . 222 HIS N . 26700 1 221 . 1 1 129 129 LEU H H 1 7.391 0.05 . 1 . . . . 223 LEU HN . 26700 1 222 . 1 1 129 129 LEU N N 15 119.721 0.2 . 1 . . . . 223 LEU N . 26700 1 223 . 1 1 130 130 ASN H H 1 7.606 0.05 . 1 . . . . 224 ASN HN . 26700 1 224 . 1 1 130 130 ASN N N 15 114.431 0.2 . 1 . . . . 224 ASN N . 26700 1 225 . 1 1 131 131 MET H H 1 8.187 0.05 . 1 . . . . 225 MET HN . 26700 1 226 . 1 1 131 131 MET N N 15 120.060 0.2 . 1 . . . . 225 MET N . 26700 1 227 . 1 1 132 132 ASP H H 1 8.243 0.05 . 1 . . . . 226 ASP HN . 26700 1 228 . 1 1 132 132 ASP N N 15 120.159 0.2 . 1 . . . . 226 ASP N . 26700 1 229 . 1 1 133 133 LEU H H 1 8.750 0.05 . 1 . . . . 227 LEU HN . 26700 1 230 . 1 1 133 133 LEU N N 15 122.947 0.2 . 1 . . . . 227 LEU N . 26700 1 231 . 1 1 134 134 HIS H H 1 9.279 0.05 . 1 . . . . 228 HIS HN . 26700 1 232 . 1 1 134 134 HIS N N 15 123.547 0.2 . 1 . . . . 228 HIS N . 26700 1 233 . 1 1 135 135 VAL H H 1 9.406 0.05 . 1 . . . . 229 VAL HN . 26700 1 234 . 1 1 135 135 VAL N N 15 118.256 0.2 . 1 . . . . 229 VAL N . 26700 1 235 . 1 1 136 136 PHE H H 1 9.704 0.05 . 1 . . . . 230 PHE HN . 26700 1 236 . 1 1 136 136 PHE N N 15 131.128 0.2 . 1 . . . . 230 PHE N . 26700 1 237 . 1 1 137 137 ILE H H 1 8.906 0.05 . 1 . . . . 231 ILE HN . 26700 1 238 . 1 1 137 137 ILE N N 15 129.123 0.2 . 1 . . . . 231 ILE N . 26700 1 239 . 1 1 138 138 GLU H H 1 8.885 0.05 . 1 . . . . 232 GLU HN . 26700 1 240 . 1 1 138 138 GLU N N 15 124.849 0.2 . 1 . . . . 232 GLU N . 26700 1 241 . 1 1 139 139 VAL H H 1 8.766 0.05 . 1 . . . . 233 VAL HN . 26700 1 242 . 1 1 139 139 VAL N N 15 120.652 0.2 . 1 . . . . 233 VAL N . 26700 1 243 . 1 1 140 140 PHE H H 1 8.258 0.05 . 1 . . . . 234 PHE HN . 26700 1 244 . 1 1 140 140 PHE N N 15 123.469 0.2 . 1 . . . . 234 PHE N . 26700 1 245 . 1 1 141 141 GLY H H 1 8.411 0.05 . 1 . . . . 235 GLY HN . 26700 1 246 . 1 1 141 141 GLY N N 15 109.853 0.2 . 1 . . . . 235 GLY N . 26700 1 247 . 1 1 144 144 CYS H H 1 8.710 0.05 . 1 . . . . 238 CYS HN . 26700 1 248 . 1 1 144 144 CYS N N 15 112.911 0.2 . 1 . . . . 238 CYS N . 26700 1 249 . 1 1 145 145 GLU H H 1 8.127 0.05 . 1 . . . . 239 GLU HN . 26700 1 250 . 1 1 145 145 GLU N N 15 120.491 0.2 . 1 . . . . 239 GLU N . 26700 1 251 . 1 1 146 146 ALA H H 1 8.993 0.05 . 1 . . . . 240 ALA HN . 26700 1 252 . 1 1 146 146 ALA N N 15 122.044 0.2 . 1 . . . . 240 ALA N . 26700 1 253 . 1 1 147 147 TYR H H 1 7.883 0.05 . 1 . . . . 241 TYR HN . 26700 1 254 . 1 1 147 147 TYR N N 15 115.092 0.2 . 1 . . . . 241 TYR N . 26700 1 255 . 1 1 148 148 ALA H H 1 7.400 0.05 . 1 . . . . 242 ALA HN . 26700 1 256 . 1 1 148 148 ALA N N 15 121.045 0.2 . 1 . . . . 242 ALA N . 26700 1 257 . 1 1 149 149 LEU H H 1 8.815 0.05 . 1 . . . . 243 LEU HN . 26700 1 258 . 1 1 149 149 LEU N N 15 120.703 0.2 . 1 . . . . 243 LEU N . 26700 1 259 . 1 1 159 159 LYS H H 1 7.157 0.05 . 1 . . . . 253 LYS HN . 26700 1 260 . 1 1 159 159 LYS N N 15 114.342 0.2 . 1 . . . . 253 LYS N . 26700 1 261 . 1 1 160 160 PHE H H 1 7.925 0.05 . 1 . . . . 254 PHE HN . 26700 1 262 . 1 1 160 160 PHE N N 15 116.106 0.2 . 1 . . . . 254 PHE N . 26700 1 263 . 1 1 161 161 LEU H H 1 7.602 0.05 . 1 . . . . 255 LEU HN . 26700 1 264 . 1 1 161 161 LEU N N 15 117.197 0.2 . 1 . . . . 255 LEU N . 26700 1 265 . 1 1 162 162 VAL H H 1 6.958 0.05 . 1 . . . . 256 VAL HN . 26700 1 266 . 1 1 162 162 VAL N N 15 115.401 0.2 . 1 . . . . 256 VAL N . 26700 1 267 . 1 1 164 164 ASP H H 1 6.896 0.05 . 1 . . . . 258 ASP HN . 26700 1 268 . 1 1 164 164 ASP N N 15 119.516 0.2 . 1 . . . . 258 ASP N . 26700 1 269 . 1 1 165 165 MET H H 1 8.026 0.05 . 1 . . . . 259 MET HN . 26700 1 270 . 1 1 165 165 MET N N 15 119.384 0.2 . 1 . . . . 259 MET N . 26700 1 271 . 1 1 174 174 PHE H H 1 8.175 0.05 . 1 . . . . 268 PHE HN . 26700 1 272 . 1 1 174 174 PHE N N 15 120.541 0.2 . 1 . . . . 268 PHE N . 26700 1 273 . 1 1 175 175 LEU H H 1 8.011 0.05 . 1 . . . . 269 LEU HN . 26700 1 274 . 1 1 175 175 LEU N N 15 123.051 0.2 . 1 . . . . 269 LEU N . 26700 1 275 . 1 1 176 176 GLU H H 1 8.246 0.05 . 1 . . . . 270 GLU HN . 26700 1 276 . 1 1 176 176 GLU N N 15 121.263 0.2 . 1 . . . . 270 GLU N . 26700 1 277 . 1 1 177 177 LEU H H 1 8.085 0.05 . 1 . . . . 271 LEU HN . 26700 1 278 . 1 1 177 177 LEU N N 15 122.224 0.2 . 1 . . . . 271 LEU N . 26700 1 279 . 1 1 178 178 SER H H 1 8.133 0.05 . 1 . . . . 272 SER HN . 26700 1 280 . 1 1 178 178 SER N N 15 115.772 0.2 . 1 . . . . 272 SER N . 26700 1 281 . 1 1 179 179 TYR H H 1 7.959 0.05 . 1 . . . . 273 TYR HN . 26700 1 282 . 1 1 179 179 TYR N N 15 121.397 0.2 . 1 . . . . 273 TYR N . 26700 1 283 . 1 1 180 180 LEU H H 1 7.953 0.05 . 1 . . . . 274 LEU HN . 26700 1 284 . 1 1 180 180 LEU N N 15 122.560 0.2 . 1 . . . . 274 LEU N . 26700 1 285 . 1 1 181 181 ASN H H 1 8.252 0.05 . 1 . . . . 275 ASN HN . 26700 1 286 . 1 1 181 181 ASN N N 15 118.371 0.2 . 1 . . . . 275 ASN N . 26700 1 287 . 1 1 182 182 GLY H H 1 8.126 0.05 . 1 . . . . 276 GLY HN . 26700 1 288 . 1 1 182 182 GLY N N 15 108.418 0.2 . 1 . . . . 276 GLY N . 26700 1 stop_ save_