data_25846 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25846 _Entry.PDB_ID 2N8D save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25846 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP HA H 2 4.934 4.934 3.982 0.952 25846 2 1 1 . 1 1 2 2 ASP H H 2 8.093 8.093 8.054 0.039 25846 3 1 1 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.246 0.689 25846 4 1 1 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.239 0.122 25846 5 1 1 . 1 1 4 4 TYR H H 4 7.832 7.832 6.916 0.916 25846 6 1 1 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.568 -0.219 25846 7 1 1 . 1 1 5 5 PHE H H 5 7.675 7.675 6.888 0.787 25846 8 1 1 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.335 0.747 25846 9 1 1 . 1 1 6 6 ALA H H 6 8.004 8.004 7.755 0.249 25846 10 1 1 . 1 1 7 7 GLY H H 7 7.814 7.814 8.128 -0.314 25846 11 1 1 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.758 0.015 25846 12 1 1 . 1 1 8 8 VAL H H 8 7.821 7.821 8.323 -0.502 25846 13 1 1 . 1 1 9 9 LYS HA H 9 3.982 3.982 3.890 0.092 25846 14 1 1 . 1 1 9 9 LYS H H 9 8.180 8.180 8.389 -0.209 25846 15 1 1 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.041 0.002 25846 16 1 1 . 1 1 10 10 LYS H H 10 7.845 7.845 7.481 0.364 25846 17 1 1 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.533 -0.340 25846 18 1 1 . 1 1 11 11 LEU H H 11 8.159 8.159 8.049 0.110 25846 19 1 1 . 1 1 12 12 THR HA H 12 3.881 3.881 3.955 -0.074 25846 20 1 1 . 1 1 12 12 THR H H 12 8.177 8.177 7.665 0.512 25846 21 1 1 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.070 -0.088 25846 22 1 1 . 1 1 13 13 LYS H H 13 7.862 7.862 8.065 -0.203 25846 23 1 1 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.226 -0.046 25846 24 1 1 . 1 1 14 14 ALA H H 14 7.837 7.837 7.311 0.526 25846 25 1 1 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.739 0.011 25846 26 1 1 . 1 1 15 15 ILE H H 15 8.292 8.292 7.856 0.436 25846 27 1 1 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.146 -0.077 25846 28 1 1 . 1 1 16 16 LEU H H 16 8.233 8.233 8.051 0.182 25846 29 1 1 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.288 -0.107 25846 30 1 1 . 1 1 17 17 ALA H H 17 7.946 7.946 7.428 0.518 25846 31 1 1 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.935 -0.039 25846 32 1 1 . 1 1 18 18 VAL H H 18 7.904 7.904 7.416 0.488 25846 33 1 1 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.457 -0.271 25846 34 1 1 . 1 1 19 19 ARG H H 19 8.229 8.229 7.776 0.453 25846 35 1 2 . 1 1 2 2 ASP HA H 2 4.934 4.934 3.971 0.963 25846 36 1 2 . 1 1 2 2 ASP H H 2 8.093 8.093 8.045 0.048 25846 37 1 2 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.234 0.701 25846 38 1 2 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.290 0.071 25846 39 1 2 . 1 1 4 4 TYR H H 4 7.832 7.832 7.105 0.727 25846 40 1 2 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.680 -0.331 25846 41 1 2 . 1 1 5 5 PHE H H 5 7.675 7.675 6.836 0.839 25846 42 1 2 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.343 0.739 25846 43 1 2 . 1 1 6 6 ALA H H 6 8.004 8.004 7.727 0.277 25846 44 1 2 . 1 1 7 7 GLY H H 7 7.814 7.814 8.156 -0.342 25846 45 1 2 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.785 -0.012 25846 46 1 2 . 1 1 8 8 VAL H H 8 7.821 7.821 8.311 -0.490 25846 47 1 2 . 1 1 9 9 LYS HA H 9 3.982 3.982 3.973 0.009 25846 48 1 2 . 1 1 9 9 LYS H H 9 8.180 8.180 8.516 -0.336 25846 49 1 2 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.120 -0.077 25846 50 1 2 . 1 1 10 10 LYS H H 10 7.845 7.845 7.477 0.368 25846 51 1 2 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.410 -0.217 25846 52 1 2 . 1 1 11 11 LEU H H 11 8.159 8.159 8.201 -0.042 25846 53 1 2 . 1 1 12 12 THR HA H 12 3.881 3.881 3.985 -0.104 25846 54 1 2 . 1 1 12 12 THR H H 12 8.177 8.177 7.701 0.476 25846 55 1 2 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.055 -0.073 25846 56 1 2 . 1 1 13 13 LYS H H 13 7.862 7.862 7.787 0.075 25846 57 1 2 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.226 -0.046 25846 58 1 2 . 1 1 14 14 ALA H H 14 7.837 7.837 7.382 0.455 25846 59 1 2 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.707 0.043 25846 60 1 2 . 1 1 15 15 ILE H H 15 8.292 8.292 7.395 0.897 25846 61 1 2 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.084 -0.015 25846 62 1 2 . 1 1 16 16 LEU H H 16 8.233 8.233 7.851 0.382 25846 63 1 2 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.236 -0.055 25846 64 1 2 . 1 1 17 17 ALA H H 17 7.946 7.946 7.452 0.494 25846 65 1 2 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.833 0.063 25846 66 1 2 . 1 1 18 18 VAL H H 18 7.904 7.904 7.234 0.670 25846 67 1 2 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.310 -0.124 25846 68 1 2 . 1 1 19 19 ARG H H 19 8.229 8.229 7.984 0.245 25846 69 1 3 . 1 1 2 2 ASP HA H 2 4.934 4.934 3.925 1.009 25846 70 1 3 . 1 1 2 2 ASP H H 2 8.093 8.093 8.012 0.081 25846 71 1 3 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.204 0.731 25846 72 1 3 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.565 -0.204 25846 73 1 3 . 1 1 4 4 TYR H H 4 7.832 7.832 7.400 0.432 25846 74 1 3 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.408 -0.059 25846 75 1 3 . 1 1 5 5 PHE H H 5 7.675 7.675 6.736 0.939 25846 76 1 3 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.410 0.672 25846 77 1 3 . 1 1 6 6 ALA H H 6 8.004 8.004 6.876 1.128 25846 78 1 3 . 1 1 7 7 GLY H H 7 7.814 7.814 8.711 -0.897 25846 79 1 3 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.687 0.086 25846 80 1 3 . 1 1 8 8 VAL H H 8 7.821 7.821 7.578 0.243 25846 81 1 3 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.221 -0.239 25846 82 1 3 . 1 1 9 9 LYS H H 9 8.180 8.180 7.754 0.426 25846 83 1 3 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.127 -0.084 25846 84 1 3 . 1 1 10 10 LYS H H 10 7.845 7.845 7.873 -0.028 25846 85 1 3 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.337 -0.144 25846 86 1 3 . 1 1 11 11 LEU H H 11 8.159 8.159 7.878 0.281 25846 87 1 3 . 1 1 12 12 THR HA H 12 3.881 3.881 3.931 -0.050 25846 88 1 3 . 1 1 12 12 THR H H 12 8.177 8.177 7.655 0.522 25846 89 1 3 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.076 -0.094 25846 90 1 3 . 1 1 13 13 LYS H H 13 7.862 7.862 8.132 -0.270 25846 91 1 3 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.320 -0.140 25846 92 1 3 . 1 1 14 14 ALA H H 14 7.837 7.837 7.416 0.421 25846 93 1 3 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.755 -0.005 25846 94 1 3 . 1 1 15 15 ILE H H 15 8.292 8.292 7.534 0.758 25846 95 1 3 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.056 0.013 25846 96 1 3 . 1 1 16 16 LEU H H 16 8.233 8.233 8.303 -0.070 25846 97 1 3 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.189 -0.008 25846 98 1 3 . 1 1 17 17 ALA H H 17 7.946 7.946 7.887 0.059 25846 99 1 3 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.829 0.067 25846 100 1 3 . 1 1 18 18 VAL H H 18 7.904 7.904 7.193 0.711 25846 101 1 3 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.344 -0.158 25846 102 1 3 . 1 1 19 19 ARG H H 19 8.229 8.229 7.914 0.315 25846 103 1 4 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.291 0.643 25846 104 1 4 . 1 1 2 2 ASP H H 2 8.093 8.093 8.039 0.054 25846 105 1 4 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.278 0.657 25846 106 1 4 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.445 -0.084 25846 107 1 4 . 1 1 4 4 TYR H H 4 7.832 7.832 7.129 0.703 25846 108 1 4 . 1 1 5 5 PHE HA H 5 4.349 4.349 3.819 0.530 25846 109 1 4 . 1 1 5 5 PHE H H 5 7.675 7.675 8.168 -0.493 25846 110 1 4 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.353 0.729 25846 111 1 4 . 1 1 6 6 ALA H H 6 8.004 8.004 5.852 2.152 25846 112 1 4 . 1 1 7 7 GLY H H 7 7.814 7.814 7.838 -0.024 25846 113 1 4 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.632 0.141 25846 114 1 4 . 1 1 8 8 VAL H H 8 7.821 7.821 8.299 -0.478 25846 115 1 4 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.078 -0.096 25846 116 1 4 . 1 1 9 9 LYS H H 9 8.180 8.180 8.383 -0.203 25846 117 1 4 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.078 -0.035 25846 118 1 4 . 1 1 10 10 LYS H H 10 7.845 7.845 7.616 0.229 25846 119 1 4 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.433 -0.240 25846 120 1 4 . 1 1 11 11 LEU H H 11 8.159 8.159 8.081 0.078 25846 121 1 4 . 1 1 12 12 THR HA H 12 3.881 3.881 4.039 -0.158 25846 122 1 4 . 1 1 12 12 THR H H 12 8.177 8.177 7.604 0.573 25846 123 1 4 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.123 -0.141 25846 124 1 4 . 1 1 13 13 LYS H H 13 7.862 7.862 8.213 -0.351 25846 125 1 4 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.279 -0.099 25846 126 1 4 . 1 1 14 14 ALA H H 14 7.837 7.837 7.469 0.368 25846 127 1 4 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.730 0.020 25846 128 1 4 . 1 1 15 15 ILE H H 15 8.292 8.292 7.315 0.977 25846 129 1 4 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.086 -0.017 25846 130 1 4 . 1 1 16 16 LEU H H 16 8.233 8.233 7.988 0.245 25846 131 1 4 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.247 -0.066 25846 132 1 4 . 1 1 17 17 ALA H H 17 7.946 7.946 7.400 0.546 25846 133 1 4 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.976 -0.080 25846 134 1 4 . 1 1 18 18 VAL H H 18 7.904 7.904 7.340 0.564 25846 135 1 4 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.260 -0.074 25846 136 1 4 . 1 1 19 19 ARG H H 19 8.229 8.229 7.646 0.583 25846 137 1 5 . 1 1 2 2 ASP HA H 2 4.934 4.934 3.863 1.071 25846 138 1 5 . 1 1 2 2 ASP H H 2 8.093 8.093 7.963 0.130 25846 139 1 5 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.174 0.761 25846 140 1 5 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.305 0.056 25846 141 1 5 . 1 1 4 4 TYR H H 4 7.832 7.832 7.004 0.828 25846 142 1 5 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.782 -0.433 25846 143 1 5 . 1 1 5 5 PHE H H 5 7.675 7.675 7.287 0.388 25846 144 1 5 . 1 1 6 6 ALA HA H 6 4.082 4.082 4.024 0.058 25846 145 1 5 . 1 1 6 6 ALA H H 6 8.004 8.004 7.658 0.346 25846 146 1 5 . 1 1 7 7 GLY H H 7 7.814 7.814 8.019 -0.205 25846 147 1 5 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.648 0.125 25846 148 1 5 . 1 1 8 8 VAL H H 8 7.821 7.821 8.442 -0.621 25846 149 1 5 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.234 -0.252 25846 150 1 5 . 1 1 9 9 LYS H H 9 8.180 8.180 8.556 -0.376 25846 151 1 5 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.131 -0.088 25846 152 1 5 . 1 1 10 10 LYS H H 10 7.845 7.845 7.609 0.236 25846 153 1 5 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.423 -0.230 25846 154 1 5 . 1 1 11 11 LEU H H 11 8.159 8.159 8.137 0.022 25846 155 1 5 . 1 1 12 12 THR HA H 12 3.881 3.881 4.034 -0.153 25846 156 1 5 . 1 1 12 12 THR H H 12 8.177 8.177 7.744 0.433 25846 157 1 5 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.068 -0.086 25846 158 1 5 . 1 1 13 13 LYS H H 13 7.862 7.862 8.276 -0.414 25846 159 1 5 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.267 -0.087 25846 160 1 5 . 1 1 14 14 ALA H H 14 7.837 7.837 7.515 0.322 25846 161 1 5 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.814 -0.064 25846 162 1 5 . 1 1 15 15 ILE H H 15 8.292 8.292 7.270 1.022 25846 163 1 5 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.085 -0.016 25846 164 1 5 . 1 1 16 16 LEU H H 16 8.233 8.233 8.378 -0.145 25846 165 1 5 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.233 -0.052 25846 166 1 5 . 1 1 17 17 ALA H H 17 7.946 7.946 7.607 0.339 25846 167 1 5 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.959 -0.063 25846 168 1 5 . 1 1 18 18 VAL H H 18 7.904 7.904 7.451 0.453 25846 169 1 5 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.316 -0.130 25846 170 1 5 . 1 1 19 19 ARG H H 19 8.229 8.229 7.809 0.420 25846 171 1 6 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.375 0.559 25846 172 1 6 . 1 1 2 2 ASP H H 2 8.093 8.093 7.969 0.124 25846 173 1 6 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.314 0.621 25846 174 1 6 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.567 -0.206 25846 175 1 6 . 1 1 4 4 TYR H H 4 7.832 7.832 7.508 0.324 25846 176 1 6 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.086 0.263 25846 177 1 6 . 1 1 5 5 PHE H H 5 7.675 7.675 8.315 -0.640 25846 178 1 6 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.776 0.306 25846 179 1 6 . 1 1 6 6 ALA H H 6 8.004 8.004 7.284 0.720 25846 180 1 6 . 1 1 7 7 GLY H H 7 7.814 7.814 7.724 0.090 25846 181 1 6 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.577 0.196 25846 182 1 6 . 1 1 8 8 VAL H H 8 7.821 7.821 8.295 -0.474 25846 183 1 6 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.139 -0.157 25846 184 1 6 . 1 1 9 9 LYS H H 9 8.180 8.180 8.239 -0.059 25846 185 1 6 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.098 -0.055 25846 186 1 6 . 1 1 10 10 LYS H H 10 7.845 7.845 7.660 0.185 25846 187 1 6 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.414 -0.221 25846 188 1 6 . 1 1 11 11 LEU H H 11 8.159 8.159 8.033 0.126 25846 189 1 6 . 1 1 12 12 THR HA H 12 3.881 3.881 3.997 -0.116 25846 190 1 6 . 1 1 12 12 THR H H 12 8.177 8.177 7.781 0.396 25846 191 1 6 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.057 -0.075 25846 192 1 6 . 1 1 13 13 LYS H H 13 7.862 7.862 8.213 -0.351 25846 193 1 6 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.279 -0.099 25846 194 1 6 . 1 1 14 14 ALA H H 14 7.837 7.837 7.475 0.362 25846 195 1 6 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.727 0.023 25846 196 1 6 . 1 1 15 15 ILE H H 15 8.292 8.292 7.406 0.886 25846 197 1 6 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.082 -0.013 25846 198 1 6 . 1 1 16 16 LEU H H 16 8.233 8.233 8.403 -0.170 25846 199 1 6 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.272 -0.091 25846 200 1 6 . 1 1 17 17 ALA H H 17 7.946 7.946 7.538 0.408 25846 201 1 6 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.844 0.052 25846 202 1 6 . 1 1 18 18 VAL H H 18 7.904 7.904 7.437 0.467 25846 203 1 6 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.293 -0.107 25846 204 1 6 . 1 1 19 19 ARG H H 19 8.229 8.229 8.013 0.216 25846 205 1 7 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.611 0.323 25846 206 1 7 . 1 1 2 2 ASP H H 2 8.093 8.093 8.232 -0.139 25846 207 1 7 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.285 0.650 25846 208 1 7 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.396 -0.035 25846 209 1 7 . 1 1 4 4 TYR H H 4 7.832 7.832 6.715 1.117 25846 210 1 7 . 1 1 5 5 PHE HA H 5 4.349 4.349 3.911 0.438 25846 211 1 7 . 1 1 5 5 PHE H H 5 7.675 7.675 8.581 -0.906 25846 212 1 7 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.180 0.902 25846 213 1 7 . 1 1 6 6 ALA H H 6 8.004 8.004 6.326 1.678 25846 214 1 7 . 1 1 7 7 GLY H H 7 7.814 7.814 7.899 -0.085 25846 215 1 7 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.660 0.113 25846 216 1 7 . 1 1 8 8 VAL H H 8 7.821 7.821 8.305 -0.484 25846 217 1 7 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.062 -0.080 25846 218 1 7 . 1 1 9 9 LYS H H 9 8.180 8.180 8.459 -0.279 25846 219 1 7 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.113 -0.070 25846 220 1 7 . 1 1 10 10 LYS H H 10 7.845 7.845 7.464 0.381 25846 221 1 7 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.401 -0.208 25846 222 1 7 . 1 1 11 11 LEU H H 11 8.159 8.159 8.126 0.033 25846 223 1 7 . 1 1 12 12 THR HA H 12 3.881 3.881 4.000 -0.119 25846 224 1 7 . 1 1 12 12 THR H H 12 8.177 8.177 7.662 0.515 25846 225 1 7 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.059 -0.078 25846 226 1 7 . 1 1 13 13 LYS H H 13 7.862 7.862 8.304 -0.442 25846 227 1 7 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.257 -0.077 25846 228 1 7 . 1 1 14 14 ALA H H 14 7.837 7.837 7.419 0.418 25846 229 1 7 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.867 -0.117 25846 230 1 7 . 1 1 15 15 ILE H H 15 8.292 8.292 7.122 1.170 25846 231 1 7 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.064 0.005 25846 232 1 7 . 1 1 16 16 LEU H H 16 8.233 8.233 8.382 -0.149 25846 233 1 7 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.192 -0.011 25846 234 1 7 . 1 1 17 17 ALA H H 17 7.946 7.946 8.130 -0.184 25846 235 1 7 . 1 1 18 18 VAL HA H 18 3.896 3.896 4.144 -0.248 25846 236 1 7 . 1 1 18 18 VAL H H 18 7.904 7.904 7.450 0.454 25846 237 1 7 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.037 0.149 25846 238 1 7 . 1 1 19 19 ARG H H 19 8.229 8.229 7.854 0.375 25846 239 1 8 . 1 1 2 2 ASP HA H 2 4.934 4.934 3.880 1.054 25846 240 1 8 . 1 1 2 2 ASP H H 2 8.093 8.093 7.968 0.125 25846 241 1 8 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.192 0.743 25846 242 1 8 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.325 0.036 25846 243 1 8 . 1 1 4 4 TYR H H 4 7.832 7.832 7.035 0.797 25846 244 1 8 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.696 -0.347 25846 245 1 8 . 1 1 5 5 PHE H H 5 7.675 7.675 7.357 0.318 25846 246 1 8 . 1 1 6 6 ALA HA H 6 4.082 4.082 4.094 -0.012 25846 247 1 8 . 1 1 6 6 ALA H H 6 8.004 8.004 7.809 0.195 25846 248 1 8 . 1 1 7 7 GLY H H 7 7.814 7.814 8.687 -0.873 25846 249 1 8 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.755 0.018 25846 250 1 8 . 1 1 8 8 VAL H H 8 7.821 7.821 8.293 -0.472 25846 251 1 8 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.207 -0.225 25846 252 1 8 . 1 1 9 9 LYS H H 9 8.180 8.180 8.461 -0.281 25846 253 1 8 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.079 -0.036 25846 254 1 8 . 1 1 10 10 LYS H H 10 7.845 7.845 7.584 0.261 25846 255 1 8 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.367 -0.174 25846 256 1 8 . 1 1 11 11 LEU H H 11 8.159 8.159 7.953 0.206 25846 257 1 8 . 1 1 12 12 THR HA H 12 3.881 3.881 4.031 -0.150 25846 258 1 8 . 1 1 12 12 THR H H 12 8.177 8.177 7.666 0.511 25846 259 1 8 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.059 -0.077 25846 260 1 8 . 1 1 13 13 LYS H H 13 7.862 7.862 8.334 -0.472 25846 261 1 8 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.250 -0.070 25846 262 1 8 . 1 1 14 14 ALA H H 14 7.837 7.837 7.478 0.359 25846 263 1 8 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.747 0.003 25846 264 1 8 . 1 1 15 15 ILE H H 15 8.292 8.292 7.349 0.943 25846 265 1 8 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.029 0.040 25846 266 1 8 . 1 1 16 16 LEU H H 16 8.233 8.233 8.343 -0.110 25846 267 1 8 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.203 -0.022 25846 268 1 8 . 1 1 17 17 ALA H H 17 7.946 7.946 7.739 0.207 25846 269 1 8 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.831 0.065 25846 270 1 8 . 1 1 18 18 VAL H H 18 7.904 7.904 7.197 0.707 25846 271 1 8 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.325 -0.139 25846 272 1 8 . 1 1 19 19 ARG H H 19 8.229 8.229 8.126 0.103 25846 273 1 9 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.158 0.776 25846 274 1 9 . 1 1 2 2 ASP H H 2 8.093 8.093 7.885 0.208 25846 275 1 9 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.241 0.694 25846 276 1 9 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.600 -0.239 25846 277 1 9 . 1 1 4 4 TYR H H 4 7.832 7.832 7.213 0.619 25846 278 1 9 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.602 -0.253 25846 279 1 9 . 1 1 5 5 PHE H H 5 7.675 7.675 7.109 0.566 25846 280 1 9 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.259 0.823 25846 281 1 9 . 1 1 6 6 ALA H H 6 8.004 8.004 6.938 1.066 25846 282 1 9 . 1 1 7 7 GLY H H 7 7.814 7.814 8.832 -1.018 25846 283 1 9 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.583 0.190 25846 284 1 9 . 1 1 8 8 VAL H H 8 7.821 7.821 7.606 0.215 25846 285 1 9 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.237 -0.255 25846 286 1 9 . 1 1 9 9 LYS H H 9 8.180 8.180 7.883 0.297 25846 287 1 9 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.147 -0.104 25846 288 1 9 . 1 1 10 10 LYS H H 10 7.845 7.845 7.883 -0.038 25846 289 1 9 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.393 -0.200 25846 290 1 9 . 1 1 11 11 LEU H H 11 8.159 8.159 7.946 0.213 25846 291 1 9 . 1 1 12 12 THR HA H 12 3.881 3.881 3.973 -0.092 25846 292 1 9 . 1 1 12 12 THR H H 12 8.177 8.177 7.716 0.461 25846 293 1 9 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.112 -0.130 25846 294 1 9 . 1 1 13 13 LYS H H 13 7.862 7.862 8.056 -0.194 25846 295 1 9 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.364 -0.184 25846 296 1 9 . 1 1 14 14 ALA H H 14 7.837 7.837 7.418 0.419 25846 297 1 9 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.747 0.003 25846 298 1 9 . 1 1 15 15 ILE H H 15 8.292 8.292 7.546 0.746 25846 299 1 9 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.076 -0.007 25846 300 1 9 . 1 1 16 16 LEU H H 16 8.233 8.233 8.179 0.054 25846 301 1 9 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.238 -0.057 25846 302 1 9 . 1 1 17 17 ALA H H 17 7.946 7.946 7.270 0.676 25846 303 1 9 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.984 -0.088 25846 304 1 9 . 1 1 18 18 VAL H H 18 7.904 7.904 7.489 0.415 25846 305 1 9 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.377 -0.191 25846 306 1 9 . 1 1 19 19 ARG H H 19 8.229 8.229 7.904 0.325 25846 307 1 10 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.688 0.246 25846 308 1 10 . 1 1 2 2 ASP H H 2 8.093 8.093 8.124 -0.031 25846 309 1 10 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.297 0.638 25846 310 1 10 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.450 -0.089 25846 311 1 10 . 1 1 4 4 TYR H H 4 7.832 7.832 6.804 1.028 25846 312 1 10 . 1 1 5 5 PHE HA H 5 4.349 4.349 3.998 0.351 25846 313 1 10 . 1 1 5 5 PHE H H 5 7.675 7.675 8.704 -1.029 25846 314 1 10 . 1 1 6 6 ALA HA H 6 4.082 4.082 2.879 1.203 25846 315 1 10 . 1 1 6 6 ALA H H 6 8.004 8.004 5.493 2.511 25846 316 1 10 . 1 1 7 7 GLY H H 7 7.814 7.814 8.689 -0.875 25846 317 1 10 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.626 0.147 25846 318 1 10 . 1 1 8 8 VAL H H 8 7.821 7.821 7.745 0.076 25846 319 1 10 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.153 -0.171 25846 320 1 10 . 1 1 9 9 LYS H H 9 8.180 8.180 7.775 0.405 25846 321 1 10 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.086 -0.043 25846 322 1 10 . 1 1 10 10 LYS H H 10 7.845 7.845 7.806 0.039 25846 323 1 10 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.394 -0.201 25846 324 1 10 . 1 1 11 11 LEU H H 11 8.159 8.159 7.916 0.243 25846 325 1 10 . 1 1 12 12 THR HA H 12 3.881 3.881 4.115 -0.234 25846 326 1 10 . 1 1 12 12 THR H H 12 8.177 8.177 7.636 0.541 25846 327 1 10 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.120 -0.138 25846 328 1 10 . 1 1 13 13 LYS H H 13 7.862 7.862 8.420 -0.558 25846 329 1 10 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.289 -0.109 25846 330 1 10 . 1 1 14 14 ALA H H 14 7.837 7.837 7.474 0.363 25846 331 1 10 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.747 0.003 25846 332 1 10 . 1 1 15 15 ILE H H 15 8.292 8.292 7.326 0.966 25846 333 1 10 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.070 -0.001 25846 334 1 10 . 1 1 16 16 LEU H H 16 8.233 8.233 8.131 0.102 25846 335 1 10 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.243 -0.062 25846 336 1 10 . 1 1 17 17 ALA H H 17 7.946 7.946 7.328 0.618 25846 337 1 10 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.999 -0.103 25846 338 1 10 . 1 1 18 18 VAL H H 18 7.904 7.904 7.490 0.414 25846 339 1 10 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.391 -0.205 25846 340 1 10 . 1 1 19 19 ARG H H 19 8.229 8.229 7.983 0.246 25846 341 1 11 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.318 0.616 25846 342 1 11 . 1 1 2 2 ASP H H 2 8.093 8.093 7.897 0.196 25846 343 1 11 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.243 0.692 25846 344 1 11 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.457 -0.096 25846 345 1 11 . 1 1 4 4 TYR H H 4 7.832 7.832 6.897 0.935 25846 346 1 11 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.255 0.094 25846 347 1 11 . 1 1 5 5 PHE H H 5 7.675 7.675 8.799 -1.124 25846 348 1 11 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.694 0.388 25846 349 1 11 . 1 1 6 6 ALA H H 6 8.004 8.004 7.389 0.615 25846 350 1 11 . 1 1 7 7 GLY H H 7 7.814 7.814 7.670 0.144 25846 351 1 11 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.662 0.111 25846 352 1 11 . 1 1 8 8 VAL H H 8 7.821 7.821 8.352 -0.531 25846 353 1 11 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.217 -0.235 25846 354 1 11 . 1 1 9 9 LYS H H 9 8.180 8.180 8.465 -0.285 25846 355 1 11 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.109 -0.066 25846 356 1 11 . 1 1 10 10 LYS H H 10 7.845 7.845 7.569 0.276 25846 357 1 11 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.440 -0.247 25846 358 1 11 . 1 1 11 11 LEU H H 11 8.159 8.159 8.072 0.087 25846 359 1 11 . 1 1 12 12 THR HA H 12 3.881 3.881 3.967 -0.086 25846 360 1 11 . 1 1 12 12 THR H H 12 8.177 8.177 7.692 0.485 25846 361 1 11 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.083 -0.101 25846 362 1 11 . 1 1 13 13 LYS H H 13 7.862 7.862 8.180 -0.318 25846 363 1 11 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.321 -0.141 25846 364 1 11 . 1 1 14 14 ALA H H 14 7.837 7.837 7.391 0.446 25846 365 1 11 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.740 0.010 25846 366 1 11 . 1 1 15 15 ILE H H 15 8.292 8.292 7.498 0.794 25846 367 1 11 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.096 -0.027 25846 368 1 11 . 1 1 16 16 LEU H H 16 8.233 8.233 8.301 -0.068 25846 369 1 11 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.248 -0.067 25846 370 1 11 . 1 1 17 17 ALA H H 17 7.946 7.946 7.417 0.529 25846 371 1 11 . 1 1 18 18 VAL HA H 18 3.896 3.896 4.008 -0.112 25846 372 1 11 . 1 1 18 18 VAL H H 18 7.904 7.904 7.414 0.490 25846 373 1 11 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.289 -0.103 25846 374 1 11 . 1 1 19 19 ARG H H 19 8.229 8.229 7.732 0.497 25846 375 1 12 . 1 1 2 2 ASP HA H 2 4.934 4.934 3.893 1.041 25846 376 1 12 . 1 1 2 2 ASP H H 2 8.093 8.093 8.003 0.090 25846 377 1 12 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.252 0.683 25846 378 1 12 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.493 -0.132 25846 379 1 12 . 1 1 4 4 TYR H H 4 7.832 7.832 7.113 0.719 25846 380 1 12 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.553 -0.204 25846 381 1 12 . 1 1 5 5 PHE H H 5 7.675 7.675 7.079 0.596 25846 382 1 12 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.839 0.243 25846 383 1 12 . 1 1 6 6 ALA H H 6 8.004 8.004 8.079 -0.075 25846 384 1 12 . 1 1 7 7 GLY H H 7 7.814 7.814 8.372 -0.558 25846 385 1 12 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.434 0.339 25846 386 1 12 . 1 1 8 8 VAL H H 8 7.821 7.821 7.469 0.352 25846 387 1 12 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.159 -0.177 25846 388 1 12 . 1 1 9 9 LYS H H 9 8.180 8.180 8.162 0.018 25846 389 1 12 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.110 -0.067 25846 390 1 12 . 1 1 10 10 LYS H H 10 7.845 7.845 7.537 0.308 25846 391 1 12 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.301 -0.108 25846 392 1 12 . 1 1 11 11 LEU H H 11 8.159 8.159 7.790 0.369 25846 393 1 12 . 1 1 12 12 THR HA H 12 3.881 3.881 3.920 -0.039 25846 394 1 12 . 1 1 12 12 THR H H 12 8.177 8.177 7.698 0.479 25846 395 1 12 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.092 -0.110 25846 396 1 12 . 1 1 13 13 LYS H H 13 7.862 7.862 8.072 -0.210 25846 397 1 12 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.326 -0.146 25846 398 1 12 . 1 1 14 14 ALA H H 14 7.837 7.837 7.404 0.433 25846 399 1 12 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.778 -0.028 25846 400 1 12 . 1 1 15 15 ILE H H 15 8.292 8.292 7.536 0.756 25846 401 1 12 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.062 0.007 25846 402 1 12 . 1 1 16 16 LEU H H 16 8.233 8.233 8.519 -0.286 25846 403 1 12 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.172 0.009 25846 404 1 12 . 1 1 17 17 ALA H H 17 7.946 7.946 7.987 -0.041 25846 405 1 12 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.976 -0.080 25846 406 1 12 . 1 1 18 18 VAL H H 18 7.904 7.904 7.495 0.409 25846 407 1 12 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.362 -0.176 25846 408 1 12 . 1 1 19 19 ARG H H 19 8.229 8.229 8.203 0.026 25846 409 1 13 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.089 0.845 25846 410 1 13 . 1 1 2 2 ASP H H 2 8.093 8.093 7.937 0.156 25846 411 1 13 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.267 0.668 25846 412 1 13 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.501 -0.140 25846 413 1 13 . 1 1 4 4 TYR H H 4 7.832 7.832 7.139 0.693 25846 414 1 13 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.534 -0.185 25846 415 1 13 . 1 1 5 5 PHE H H 5 7.675 7.675 6.980 0.695 25846 416 1 13 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.327 0.755 25846 417 1 13 . 1 1 6 6 ALA H H 6 8.004 8.004 7.058 0.946 25846 418 1 13 . 1 1 7 7 GLY H H 7 7.814 7.814 8.807 -0.993 25846 419 1 13 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.685 0.088 25846 420 1 13 . 1 1 8 8 VAL H H 8 7.821 7.821 7.661 0.160 25846 421 1 13 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.241 -0.259 25846 422 1 13 . 1 1 9 9 LYS H H 9 8.180 8.180 7.804 0.376 25846 423 1 13 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.152 -0.109 25846 424 1 13 . 1 1 10 10 LYS H H 10 7.845 7.845 7.880 -0.035 25846 425 1 13 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.358 -0.165 25846 426 1 13 . 1 1 11 11 LEU H H 11 8.159 8.159 8.046 0.113 25846 427 1 13 . 1 1 12 12 THR HA H 12 3.881 3.881 4.023 -0.142 25846 428 1 13 . 1 1 12 12 THR H H 12 8.177 8.177 7.697 0.480 25846 429 1 13 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.048 -0.066 25846 430 1 13 . 1 1 13 13 LYS H H 13 7.862 7.862 8.244 -0.382 25846 431 1 13 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.268 -0.088 25846 432 1 13 . 1 1 14 14 ALA H H 14 7.837 7.837 7.495 0.342 25846 433 1 13 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.732 0.018 25846 434 1 13 . 1 1 15 15 ILE H H 15 8.292 8.292 7.361 0.931 25846 435 1 13 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.079 -0.010 25846 436 1 13 . 1 1 16 16 LEU H H 16 8.233 8.233 7.937 0.296 25846 437 1 13 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.240 -0.059 25846 438 1 13 . 1 1 17 17 ALA H H 17 7.946 7.946 7.326 0.620 25846 439 1 13 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.790 0.106 25846 440 1 13 . 1 1 18 18 VAL H H 18 7.904 7.904 7.215 0.689 25846 441 1 13 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.308 -0.122 25846 442 1 13 . 1 1 19 19 ARG H H 19 8.229 8.229 7.706 0.523 25846 443 1 14 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.226 0.708 25846 444 1 14 . 1 1 2 2 ASP H H 2 8.093 8.093 7.991 0.102 25846 445 1 14 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.306 0.629 25846 446 1 14 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.351 0.010 25846 447 1 14 . 1 1 4 4 TYR H H 4 7.832 7.832 6.841 0.991 25846 448 1 14 . 1 1 5 5 PHE HA H 5 4.349 4.349 3.927 0.422 25846 449 1 14 . 1 1 5 5 PHE H H 5 7.675 7.675 8.262 -0.587 25846 450 1 14 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.888 0.194 25846 451 1 14 . 1 1 6 6 ALA H H 6 8.004 8.004 7.264 0.740 25846 452 1 14 . 1 1 7 7 GLY H H 7 7.814 7.814 8.008 -0.194 25846 453 1 14 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.608 0.165 25846 454 1 14 . 1 1 8 8 VAL H H 8 7.821 7.821 8.326 -0.505 25846 455 1 14 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.189 -0.207 25846 456 1 14 . 1 1 9 9 LYS H H 9 8.180 8.180 8.348 -0.168 25846 457 1 14 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.073 -0.030 25846 458 1 14 . 1 1 10 10 LYS H H 10 7.845 7.845 7.576 0.269 25846 459 1 14 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.389 -0.196 25846 460 1 14 . 1 1 11 11 LEU H H 11 8.159 8.159 8.058 0.101 25846 461 1 14 . 1 1 12 12 THR HA H 12 3.881 3.881 4.062 -0.181 25846 462 1 14 . 1 1 12 12 THR H H 12 8.177 8.177 7.649 0.528 25846 463 1 14 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.070 -0.088 25846 464 1 14 . 1 1 13 13 LYS H H 13 7.862 7.862 8.298 -0.436 25846 465 1 14 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.246 -0.066 25846 466 1 14 . 1 1 14 14 ALA H H 14 7.837 7.837 7.514 0.323 25846 467 1 14 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.787 -0.037 25846 468 1 14 . 1 1 15 15 ILE H H 15 8.292 8.292 7.314 0.978 25846 469 1 14 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.069 0.000 25846 470 1 14 . 1 1 16 16 LEU H H 16 8.233 8.233 8.446 -0.213 25846 471 1 14 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.244 -0.063 25846 472 1 14 . 1 1 17 17 ALA H H 17 7.946 7.946 7.436 0.510 25846 473 1 14 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.790 0.106 25846 474 1 14 . 1 1 18 18 VAL H H 18 7.904 7.904 7.227 0.677 25846 475 1 14 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.268 -0.082 25846 476 1 14 . 1 1 19 19 ARG H H 19 8.229 8.229 7.855 0.374 25846 477 1 15 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.538 0.396 25846 478 1 15 . 1 1 2 2 ASP H H 2 8.093 8.093 8.075 0.018 25846 479 1 15 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.287 0.648 25846 480 1 15 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.365 -0.004 25846 481 1 15 . 1 1 4 4 TYR H H 4 7.832 7.832 6.910 0.922 25846 482 1 15 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.077 0.272 25846 483 1 15 . 1 1 5 5 PHE H H 5 7.675 7.675 8.317 -0.642 25846 484 1 15 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.751 0.331 25846 485 1 15 . 1 1 6 6 ALA H H 6 8.004 8.004 7.336 0.668 25846 486 1 15 . 1 1 7 7 GLY H H 7 7.814 7.814 7.688 0.126 25846 487 1 15 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.663 0.110 25846 488 1 15 . 1 1 8 8 VAL H H 8 7.821 7.821 8.280 -0.459 25846 489 1 15 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.153 -0.171 25846 490 1 15 . 1 1 9 9 LYS H H 9 8.180 8.180 8.470 -0.290 25846 491 1 15 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.099 -0.056 25846 492 1 15 . 1 1 10 10 LYS H H 10 7.845 7.845 7.525 0.320 25846 493 1 15 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.464 -0.271 25846 494 1 15 . 1 1 11 11 LEU H H 11 8.159 8.159 8.101 0.058 25846 495 1 15 . 1 1 12 12 THR HA H 12 3.881 3.881 3.963 -0.082 25846 496 1 15 . 1 1 12 12 THR H H 12 8.177 8.177 7.719 0.458 25846 497 1 15 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.093 -0.111 25846 498 1 15 . 1 1 13 13 LYS H H 13 7.862 7.862 8.138 -0.276 25846 499 1 15 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.308 -0.128 25846 500 1 15 . 1 1 14 14 ALA H H 14 7.837 7.837 7.391 0.446 25846 501 1 15 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.709 0.041 25846 502 1 15 . 1 1 15 15 ILE H H 15 8.292 8.292 7.544 0.748 25846 503 1 15 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.066 0.003 25846 504 1 15 . 1 1 16 16 LEU H H 16 8.233 8.233 8.086 0.147 25846 505 1 15 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.270 -0.089 25846 506 1 15 . 1 1 17 17 ALA H H 17 7.946 7.946 7.235 0.711 25846 507 1 15 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.966 -0.070 25846 508 1 15 . 1 1 18 18 VAL H H 18 7.904 7.904 7.367 0.537 25846 509 1 15 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.264 -0.078 25846 510 1 15 . 1 1 19 19 ARG H H 19 8.229 8.229 7.724 0.505 25846 511 1 16 . 1 1 2 2 ASP HA H 2 4.934 4.934 3.998 0.936 25846 512 1 16 . 1 1 2 2 ASP H H 2 8.093 8.093 7.976 0.117 25846 513 1 16 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.186 0.749 25846 514 1 16 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.437 -0.076 25846 515 1 16 . 1 1 4 4 TYR H H 4 7.832 7.832 7.158 0.674 25846 516 1 16 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.719 -0.370 25846 517 1 16 . 1 1 5 5 PHE H H 5 7.675 7.675 7.057 0.618 25846 518 1 16 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.629 0.453 25846 519 1 16 . 1 1 6 6 ALA H H 6 8.004 8.004 7.968 0.036 25846 520 1 16 . 1 1 7 7 GLY H H 7 7.814 7.814 8.069 -0.255 25846 521 1 16 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.817 -0.044 25846 522 1 16 . 1 1 8 8 VAL H H 8 7.821 7.821 8.257 -0.436 25846 523 1 16 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.099 -0.117 25846 524 1 16 . 1 1 9 9 LYS H H 9 8.180 8.180 8.484 -0.304 25846 525 1 16 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.056 -0.013 25846 526 1 16 . 1 1 10 10 LYS H H 10 7.845 7.845 7.615 0.230 25846 527 1 16 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.436 -0.243 25846 528 1 16 . 1 1 11 11 LEU H H 11 8.159 8.159 7.992 0.167 25846 529 1 16 . 1 1 12 12 THR HA H 12 3.881 3.881 4.001 -0.120 25846 530 1 16 . 1 1 12 12 THR H H 12 8.177 8.177 7.715 0.462 25846 531 1 16 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.109 -0.127 25846 532 1 16 . 1 1 13 13 LYS H H 13 7.862 7.862 8.378 -0.516 25846 533 1 16 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.308 -0.128 25846 534 1 16 . 1 1 14 14 ALA H H 14 7.837 7.837 7.292 0.545 25846 535 1 16 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.720 0.030 25846 536 1 16 . 1 1 15 15 ILE H H 15 8.292 8.292 7.629 0.663 25846 537 1 16 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.105 -0.036 25846 538 1 16 . 1 1 16 16 LEU H H 16 8.233 8.233 8.189 0.044 25846 539 1 16 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.284 -0.103 25846 540 1 16 . 1 1 17 17 ALA H H 17 7.946 7.946 7.224 0.722 25846 541 1 16 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.967 -0.071 25846 542 1 16 . 1 1 18 18 VAL H H 18 7.904 7.904 7.388 0.516 25846 543 1 16 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.271 -0.085 25846 544 1 16 . 1 1 19 19 ARG H H 19 8.229 8.229 7.708 0.521 25846 545 1 17 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.421 0.512 25846 546 1 17 . 1 1 2 2 ASP H H 2 8.093 8.093 8.143 -0.050 25846 547 1 17 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.293 0.642 25846 548 1 17 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.468 -0.107 25846 549 1 17 . 1 1 4 4 TYR H H 4 7.832 7.832 6.852 0.980 25846 550 1 17 . 1 1 5 5 PHE HA H 5 4.349 4.349 3.877 0.472 25846 551 1 17 . 1 1 5 5 PHE H H 5 7.675 7.675 8.353 -0.678 25846 552 1 17 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.251 0.831 25846 553 1 17 . 1 1 6 6 ALA H H 6 8.004 8.004 6.392 1.612 25846 554 1 17 . 1 1 7 7 GLY H H 7 7.814 7.814 7.939 -0.125 25846 555 1 17 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.768 0.005 25846 556 1 17 . 1 1 8 8 VAL H H 8 7.821 7.821 8.283 -0.462 25846 557 1 17 . 1 1 9 9 LYS HA H 9 3.982 3.982 3.862 0.120 25846 558 1 17 . 1 1 9 9 LYS H H 9 8.180 8.180 8.361 -0.181 25846 559 1 17 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.065 -0.022 25846 560 1 17 . 1 1 10 10 LYS H H 10 7.845 7.845 7.401 0.444 25846 561 1 17 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.418 -0.225 25846 562 1 17 . 1 1 11 11 LEU H H 11 8.159 8.159 7.895 0.264 25846 563 1 17 . 1 1 12 12 THR HA H 12 3.881 3.881 3.921 -0.040 25846 564 1 17 . 1 1 12 12 THR H H 12 8.177 8.177 7.579 0.598 25846 565 1 17 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.118 -0.136 25846 566 1 17 . 1 1 13 13 LYS H H 13 7.862 7.862 8.104 -0.242 25846 567 1 17 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.399 -0.219 25846 568 1 17 . 1 1 14 14 ALA H H 14 7.837 7.837 7.420 0.417 25846 569 1 17 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.827 -0.077 25846 570 1 17 . 1 1 15 15 ILE H H 15 8.292 8.292 7.428 0.864 25846 571 1 17 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.110 -0.041 25846 572 1 17 . 1 1 16 16 LEU H H 16 8.233 8.233 8.051 0.182 25846 573 1 17 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.288 -0.107 25846 574 1 17 . 1 1 17 17 ALA H H 17 7.946 7.946 7.545 0.401 25846 575 1 17 . 1 1 18 18 VAL HA H 18 3.896 3.896 4.137 -0.241 25846 576 1 17 . 1 1 18 18 VAL H H 18 7.904 7.904 7.593 0.311 25846 577 1 17 . 1 1 19 19 ARG HA H 19 4.186 4.186 3.897 0.289 25846 578 1 17 . 1 1 19 19 ARG H H 19 8.229 8.229 8.171 0.058 25846 579 1 18 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.147 0.787 25846 580 1 18 . 1 1 2 2 ASP H H 2 8.093 8.093 7.881 0.212 25846 581 1 18 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.245 0.690 25846 582 1 18 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.600 -0.239 25846 583 1 18 . 1 1 4 4 TYR H H 4 7.832 7.832 7.226 0.606 25846 584 1 18 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.453 -0.104 25846 585 1 18 . 1 1 5 5 PHE H H 5 7.675 7.675 6.891 0.784 25846 586 1 18 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.325 0.757 25846 587 1 18 . 1 1 6 6 ALA H H 6 8.004 8.004 6.953 1.051 25846 588 1 18 . 1 1 7 7 GLY H H 7 7.814 7.814 8.898 -1.084 25846 589 1 18 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.670 0.103 25846 590 1 18 . 1 1 8 8 VAL H H 8 7.821 7.821 7.623 0.198 25846 591 1 18 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.219 -0.237 25846 592 1 18 . 1 1 9 9 LYS H H 9 8.180 8.180 7.852 0.328 25846 593 1 18 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.131 -0.088 25846 594 1 18 . 1 1 10 10 LYS H H 10 7.845 7.845 7.962 -0.117 25846 595 1 18 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.392 -0.199 25846 596 1 18 . 1 1 11 11 LEU H H 11 8.159 8.159 8.072 0.087 25846 597 1 18 . 1 1 12 12 THR HA H 12 3.881 3.881 4.043 -0.162 25846 598 1 18 . 1 1 12 12 THR H H 12 8.177 8.177 7.664 0.513 25846 599 1 18 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.081 -0.099 25846 600 1 18 . 1 1 13 13 LYS H H 13 7.862 7.862 8.257 -0.395 25846 601 1 18 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.265 -0.085 25846 602 1 18 . 1 1 14 14 ALA H H 14 7.837 7.837 7.488 0.349 25846 603 1 18 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.737 0.013 25846 604 1 18 . 1 1 15 15 ILE H H 15 8.292 8.292 7.341 0.951 25846 605 1 18 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.075 -0.006 25846 606 1 18 . 1 1 16 16 LEU H H 16 8.233 8.233 7.952 0.281 25846 607 1 18 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.225 -0.044 25846 608 1 18 . 1 1 17 17 ALA H H 17 7.946 7.946 7.308 0.638 25846 609 1 18 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.930 -0.034 25846 610 1 18 . 1 1 18 18 VAL H H 18 7.904 7.904 7.478 0.426 25846 611 1 18 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.368 -0.182 25846 612 1 18 . 1 1 19 19 ARG H H 19 8.229 8.229 7.848 0.381 25846 613 1 19 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.351 0.583 25846 614 1 19 . 1 1 2 2 ASP H H 2 8.093 8.093 7.906 0.187 25846 615 1 19 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.254 0.681 25846 616 1 19 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.467 -0.106 25846 617 1 19 . 1 1 4 4 TYR H H 4 7.832 7.832 6.910 0.922 25846 618 1 19 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.248 0.101 25846 619 1 19 . 1 1 5 5 PHE H H 5 7.675 7.675 8.782 -1.107 25846 620 1 19 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.659 0.423 25846 621 1 19 . 1 1 6 6 ALA H H 6 8.004 8.004 7.138 0.866 25846 622 1 19 . 1 1 7 7 GLY H H 7 7.814 7.814 7.657 0.157 25846 623 1 19 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.654 0.119 25846 624 1 19 . 1 1 8 8 VAL H H 8 7.821 7.821 8.244 -0.423 25846 625 1 19 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.193 -0.211 25846 626 1 19 . 1 1 9 9 LYS H H 9 8.180 8.180 8.517 -0.337 25846 627 1 19 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.110 -0.067 25846 628 1 19 . 1 1 10 10 LYS H H 10 7.845 7.845 7.543 0.302 25846 629 1 19 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.407 -0.214 25846 630 1 19 . 1 1 11 11 LEU H H 11 8.159 8.159 7.998 0.161 25846 631 1 19 . 1 1 12 12 THR HA H 12 3.881 3.881 3.942 -0.061 25846 632 1 19 . 1 1 12 12 THR H H 12 8.177 8.177 7.696 0.481 25846 633 1 19 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.074 -0.092 25846 634 1 19 . 1 1 13 13 LYS H H 13 7.862 7.862 8.221 -0.359 25846 635 1 19 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.326 -0.146 25846 636 1 19 . 1 1 14 14 ALA H H 14 7.837 7.837 7.374 0.463 25846 637 1 19 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.754 -0.004 25846 638 1 19 . 1 1 15 15 ILE H H 15 8.292 8.292 7.574 0.718 25846 639 1 19 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.138 -0.069 25846 640 1 19 . 1 1 16 16 LEU H H 16 8.233 8.233 8.444 -0.211 25846 641 1 19 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.310 -0.129 25846 642 1 19 . 1 1 17 17 ALA H H 17 7.946 7.946 7.597 0.349 25846 643 1 19 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.910 -0.014 25846 644 1 19 . 1 1 18 18 VAL H H 18 7.904 7.904 7.416 0.488 25846 645 1 19 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.260 -0.074 25846 646 1 19 . 1 1 19 19 ARG H H 19 8.229 8.229 7.794 0.435 25846 647 1 20 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.619 0.315 25846 648 1 20 . 1 1 2 2 ASP H H 2 8.093 8.093 8.090 0.003 25846 649 1 20 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.266 0.669 25846 650 1 20 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.373 -0.012 25846 651 1 20 . 1 1 4 4 TYR H H 4 7.832 7.832 6.669 1.163 25846 652 1 20 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.191 0.158 25846 653 1 20 . 1 1 5 5 PHE H H 5 7.675 7.675 8.729 -1.054 25846 654 1 20 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.532 0.550 25846 655 1 20 . 1 1 6 6 ALA H H 6 8.004 8.004 6.998 1.006 25846 656 1 20 . 1 1 7 7 GLY H H 7 7.814 7.814 7.541 0.273 25846 657 1 20 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.690 0.083 25846 658 1 20 . 1 1 8 8 VAL H H 8 7.821 7.821 8.058 -0.237 25846 659 1 20 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.148 -0.166 25846 660 1 20 . 1 1 9 9 LYS H H 9 8.180 8.180 8.394 -0.214 25846 661 1 20 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.068 -0.025 25846 662 1 20 . 1 1 10 10 LYS H H 10 7.845 7.845 7.669 0.176 25846 663 1 20 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.300 -0.107 25846 664 1 20 . 1 1 11 11 LEU H H 11 8.159 8.159 7.851 0.308 25846 665 1 20 . 1 1 12 12 THR HA H 12 3.881 3.881 4.022 -0.141 25846 666 1 20 . 1 1 12 12 THR H H 12 8.177 8.177 7.695 0.482 25846 667 1 20 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.083 -0.101 25846 668 1 20 . 1 1 13 13 LYS H H 13 7.862 7.862 8.455 -0.593 25846 669 1 20 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.300 -0.120 25846 670 1 20 . 1 1 14 14 ALA H H 14 7.837 7.837 7.462 0.375 25846 671 1 20 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.777 -0.027 25846 672 1 20 . 1 1 15 15 ILE H H 15 8.292 8.292 7.347 0.945 25846 673 1 20 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.076 -0.007 25846 674 1 20 . 1 1 16 16 LEU H H 16 8.233 8.233 8.374 -0.141 25846 675 1 20 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.239 -0.058 25846 676 1 20 . 1 1 17 17 ALA H H 17 7.946 7.946 7.849 0.097 25846 677 1 20 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.949 -0.053 25846 678 1 20 . 1 1 18 18 VAL H H 18 7.904 7.904 7.484 0.420 25846 679 1 20 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.353 -0.167 25846 680 1 20 . 1 1 19 19 ARG H H 19 8.229 8.229 7.723 0.506 25846 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 25846 2 1 1 "Average Difference" HA 19 0.353 -0.099 0.348 25846 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25846 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25846 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25846 6 1 1 "Average Difference" HN 17 0.459 -0.256 0.392 25846 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25846 8 1 2 "Average Difference" HA 19 0.350 -0.109 0.341 25846 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25846 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25846 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25846 12 1 2 "Average Difference" HN 17 0.489 -0.279 0.414 25846 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25846 14 1 3 "Average Difference" HA 19 0.341 -0.069 0.343 25846 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25846 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25846 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25846 18 1 3 "Average Difference" HN 17 0.552 -0.297 0.480 25846 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25846 20 1 4 "Average Difference" HA 19 0.323 -0.115 0.310 25846 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25846 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25846 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25846 24 1 4 "Average Difference" HN 17 0.697 -0.325 0.636 25846 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25846 26 1 5 "Average Difference" HA 19 0.336 -0.012 0.345 25846 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25846 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25846 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25846 30 1 5 "Average Difference" HN 17 0.462 -0.187 0.435 25846 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25846 32 1 6 "Average Difference" HA 19 0.237 -0.047 0.239 25846 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25846 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25846 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25846 36 1 6 "Average Difference" HN 17 0.420 -0.154 0.402 25846 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25846 38 1 7 "Average Difference" HA 19 0.307 -0.100 0.298 25846 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25846 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25846 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25846 42 1 7 "Average Difference" HN 17 0.676 -0.204 0.665 25846 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25846 44 1 8 "Average Difference" HA 19 0.329 -0.065 0.332 25846 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25846 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25846 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25846 48 1 8 "Average Difference" HN 17 0.487 -0.149 0.478 25846 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25846 50 1 9 "Average Difference" HA 19 0.337 -0.027 0.345 25846 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25846 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25846 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25846 54 1 9 "Average Difference" HN 17 0.533 -0.296 0.456 25846 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25846 56 1 10 "Average Difference" HA 19 0.348 -0.055 0.353 25846 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25846 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25846 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25846 60 1 10 "Average Difference" HN 17 0.830 -0.297 0.799 25846 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25846 62 1 11 "Average Difference" HA 19 0.254 -0.031 0.259 25846 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25846 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25846 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25846 66 1 11 "Average Difference" HN 17 0.540 -0.186 0.523 25846 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25846 68 1 12 "Average Difference" HA 19 0.326 -0.081 0.324 25846 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25846 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25846 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25846 72 1 12 "Average Difference" HN 17 0.409 -0.199 0.368 25846 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25846 74 1 13 "Average Difference" HA 19 0.322 -0.052 0.327 25846 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25846 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25846 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25846 78 1 13 "Average Difference" HN 17 0.575 -0.330 0.486 25846 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25846 80 1 14 "Average Difference" HA 19 0.261 -0.062 0.260 25846 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25846 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25846 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25846 84 1 14 "Average Difference" HN 17 0.527 -0.205 0.500 25846 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25846 86 1 15 "Average Difference" HA 19 0.222 -0.040 0.224 25846 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25846 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25846 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25846 90 1 15 "Average Difference" HN 17 0.499 -0.235 0.454 25846 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25846 92 1 16 "Average Difference" HA 19 0.325 -0.054 0.330 25846 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25846 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25846 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25846 96 1 16 "Average Difference" HN 17 0.457 -0.224 0.411 25846 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25846 98 1 17 "Average Difference" HA 19 0.325 -0.112 0.313 25846 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25846 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25846 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25846 102 1 17 "Average Difference" HN 17 0.603 -0.258 0.562 25846 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25846 104 1 18 "Average Difference" HA 19 0.320 -0.036 0.327 25846 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25846 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25846 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25846 108 1 18 "Average Difference" HN 17 0.581 -0.306 0.509 25846 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25846 110 1 19 "Average Difference" HA 19 0.248 -0.036 0.253 25846 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25846 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25846 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25846 114 1 19 "Average Difference" HN 17 0.541 -0.182 0.525 25846 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25846 116 1 20 "Average Difference" HA 19 0.230 -0.039 0.232 25846 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25846 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25846 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25846 120 1 20 "Average Difference" HN 17 0.587 -0.207 0.566 25846 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25846 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP HA H 2 4.934 4.934 4.217 0.717 25846 2 1 . 1 1 2 2 ASP H H 2 8.093 8.093 8.010 0.083 25846 3 1 . 1 1 3 3 PRO HA H 3 4.935 4.935 4.253 0.682 25846 4 1 . 1 1 4 4 TYR HA H 4 4.361 4.361 4.435 -0.074 25846 5 1 . 1 1 4 4 TYR H H 4 7.832 7.832 7.027 0.805 25846 6 1 . 1 1 5 5 PHE HA H 5 4.349 4.349 4.319 0.030 25846 7 1 . 1 1 5 5 PHE H H 5 7.675 7.675 7.762 -0.087 25846 8 1 . 1 1 6 6 ALA HA H 6 4.082 4.082 3.527 0.555 25846 9 1 . 1 1 6 6 ALA H H 6 8.004 8.004 7.115 0.889 25846 10 1 . 1 1 7 7 GLY H H 7 7.814 7.814 8.167 -0.353 25846 11 1 . 1 1 8 8 VAL HA H 8 3.773 3.773 3.668 0.105 25846 12 1 . 1 1 8 8 VAL H H 8 7.821 7.821 8.087 -0.267 25846 13 1 . 1 1 9 9 LYS HA H 9 3.982 3.982 4.134 -0.152 25846 14 1 . 1 1 9 9 LYS H H 9 8.180 8.180 8.264 -0.084 25846 15 1 . 1 1 10 10 LYS HA H 10 4.043 4.043 4.100 -0.057 25846 16 1 . 1 1 10 10 LYS H H 10 7.845 7.845 7.636 0.208 25846 17 1 . 1 1 11 11 LEU HA H 11 4.193 4.193 4.400 -0.208 25846 18 1 . 1 1 11 11 LEU H H 11 8.159 8.159 8.010 0.149 25846 19 1 . 1 1 12 12 THR HA H 12 3.881 3.881 3.996 -0.115 25846 20 1 . 1 1 12 12 THR H H 12 8.177 8.177 7.682 0.495 25846 21 1 . 1 1 13 13 LYS HA H 13 3.982 3.982 4.082 -0.101 25846 22 1 . 1 1 13 13 LYS H H 13 7.862 7.862 8.207 -0.345 25846 23 1 . 1 1 14 14 ALA HA H 14 4.180 4.180 4.291 -0.111 25846 24 1 . 1 1 14 14 ALA H H 14 7.837 7.837 7.429 0.408 25846 25 1 . 1 1 15 15 ILE HA H 15 3.750 3.750 3.757 -0.007 25846 26 1 . 1 1 15 15 ILE H H 15 8.292 8.292 7.435 0.857 25846 27 1 . 1 1 16 16 LEU HA H 16 4.069 4.069 4.083 -0.014 25846 28 1 . 1 1 16 16 LEU H H 16 8.233 8.233 8.215 0.018 25846 29 1 . 1 1 17 17 ALA HA H 17 4.181 4.181 4.243 -0.062 25846 30 1 . 1 1 17 17 ALA H H 17 7.946 7.946 7.535 0.411 25846 31 1 . 1 1 18 18 VAL HA H 18 3.896 3.896 3.938 -0.042 25846 32 1 . 1 1 18 18 VAL H H 18 7.904 7.904 7.389 0.515 25846 33 1 . 1 1 19 19 ARG HA H 19 4.186 4.186 4.287 -0.101 25846 34 1 . 1 1 19 19 ARG H H 19 8.229 8.229 7.874 0.355 25846 stop_ save_