============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. TRP 4 1.040 34.301 37.287 0.282 -99.200 -91.000 TRP6 4 1.020 34.201 39.238 1.605 -99.200 -91.000 PHE 10 1.000 30.128 32.541 13.149 -99.200 -91.000 TRP 16 1.040 25.025 26.414 24.403 -99.200 -91.000 TRP6 16 1.020 24.255 26.947 22.239 -99.200 -91.000 PHE 34 1.000 24.897 34.289 16.531 -99.200 -91.000 PHE 38 1.000 27.604 37.059 12.424 -99.200 -91.000 PHE 42 1.000 29.852 39.135 6.144 -99.200 -91.000 PHE 55 1.000 36.136 40.594 -1.826 -99.200 -91.000 PHE 60 1.000 28.272 34.741 8.215 -99.200 -91.000 PHE 68 1.000 41.703 24.918 26.128 -99.200 -91.000 PHE 84 1.000 34.738 34.353 15.524 -99.200 -91.000 PHE 95 1.000 47.216 27.587 20.124 -99.200 -91.000 PHE 114 1.000 29.162 38.348 38.503 -99.200 -91.000 PHE 116 1.000 29.399 40.136 43.075 -99.200 -91.000 PHE 123 1.000 45.001 45.314 38.920 -99.200 -91.000 TYR 124 0.840 47.634 40.058 47.766 -99.200 -91.000 PHE 144 1.000 26.691 31.713 48.329 -99.200 -91.000 TYR 149 0.840 22.857 29.611 45.455 -99.200 -91.000 TRP 152 1.040 19.674 34.152 46.982 -99.200 -91.000 TRP6 152 1.020 21.256 34.484 45.260 -99.200 -91.000 HIS 157 0.900 17.992 36.818 45.326 -99.200 -91.000 TRP 159 1.040 16.302 30.758 36.871 -99.200 -91.000 TRP6 159 1.020 18.648 30.516 36.807 -99.200 -91.000 TYR 164 0.840 19.299 32.702 40.910 -99.200 -91.000 TYR 168 0.840 24.730 38.767 36.165 -99.200 -91.000 PHE 176 1.000 35.970 43.615 35.425 -99.200 -91.000 TYR 177 0.840 37.267 35.096 33.592 -99.200 -91.000 TRP 182 1.040 33.264 29.863 46.353 -99.200 -91.000 TRP6 182 1.020 31.383 31.074 47.065 -99.200 -91.000 TRP 197 1.040 44.044 35.572 54.051 -99.200 -91.000 TRP6 197 1.020 44.512 34.887 51.850 -99.200 -91.000 TRP 202 1.040 51.465 26.611 51.557 -99.200 -91.000 TRP6 202 1.020 49.502 27.144 50.354 -99.200 -91.000 PHE 205 1.000 44.379 29.153 52.941 -99.200 -91.000 PHE 208 1.000 41.927 24.549 58.444 -99.200 -91.000 HIS 212 0.900 43.032 21.086 41.945 -99.200 -91.000 PHE 221 1.000 46.225 24.764 39.435 -99.200 -91.000 HIS 231 0.900 47.743 36.503 52.602 -99.200 -91.000 PHE 232 1.000 48.818 31.618 52.834 -99.200 -91.000 PHE 236 1.000 52.271 28.261 47.081 -99.200 -91.000 HIS 246 0.900 52.816 19.169 51.361 -99.200 -91.000 TYR 250 0.840 47.035 21.259 46.683 -99.200 -91.000 PHE 264 1.000 39.728 17.685 49.850 -99.200 -91.000 HIS 265 0.900 37.482 21.721 56.070 -99.200 -91.000 PHE 268 1.000 42.233 27.544 44.449 -99.200 -91.000 PHE 274 1.000 27.168 34.145 43.945 -99.200 -91.000 TRP 276 1.040 27.385 30.520 35.664 -99.200 -91.000 TRP6 276 1.020 29.026 32.155 36.084 -99.200 -91.000 HIS 278 0.900 16.577 27.414 38.990 -99.200 -91.000 PHE 286 1.000 27.791 27.601 44.671 -99.200 -91.000 TYR 305 0.840 33.223 36.985 30.324 -99.200 -91.000 PHE 310 1.000 37.454 36.277 12.129 -99.200 -91.000 PHE 326 1.000 30.095 37.346 16.597 -99.200 -91.000 TYR 337 0.840 26.538 31.234 20.610 -99.200 -91.000 TYR 343 0.840 30.752 34.723 25.122 -99.200 -91.000 TYR 346 0.840 29.434 39.733 20.930 -99.200 -91.000 PHE 352 1.000 45.914 38.695 21.703 -99.200 -91.000 TYR 360 0.840 47.056 35.140 31.212 -99.200 -91.000