============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 1 1.000 121.231 57.107 2.501 -99.200 -91.000 TYR 8 0.840 118.206 51.551 19.724 -99.200 -91.000 TYR 10 0.840 117.034 60.379 20.283 -99.200 -91.000 PHE 21 1.000 98.862 52.358 10.114 -99.200 -91.000 PHE 41 1.000 109.018 28.331 -24.983 -99.200 -91.000 TRP 73 1.040 97.633 33.770 -21.510 -99.200 -91.000 TRP6 73 1.020 98.539 32.892 -23.501 -99.200 -91.000 PHE 84 1.000 111.087 33.885 -27.332 -99.200 -91.000 TYR 100 0.840 114.475 35.743 -45.742 -99.200 -91.000 PHE 117 1.000 92.347 37.403 -28.224 -99.200 -91.000 PHE 131 1.000 113.388 31.245 -37.688 -99.200 -91.000 HIS 134 0.900 124.718 27.244 -37.248 -99.200 -91.000 TYR 145 0.840 133.245 35.837 -35.146 -99.200 -91.000 HIS 162 0.900 109.562 38.825 -36.860 -99.200 -91.000 HIS 192 0.900 106.780 48.274 -41.905 -99.200 -91.000 TYR 200 0.840 115.837 39.585 -26.196 -99.200 -91.000 TYR 203 0.840 125.462 40.144 -18.467 -99.200 -91.000 TYR 207 0.840 121.122 31.087 -13.777 -99.200 -91.000 TYR 208 0.840 120.439 32.740 -21.909 -99.200 -91.000 PHE 211 1.000 114.272 30.185 -25.926 -99.200 -91.000 TYR 224 0.840 126.758 34.731 -30.293 -99.200 -91.000 HIS 236 0.900 131.197 51.745 -22.188 -99.200 -91.000 TYR 257 0.840 123.441 38.049 -15.318 -99.200 -91.000 PHE 268 1.000 122.647 54.200 -20.449 -99.200 -91.000 PHE 273 1.000 109.998 46.842 -21.299 -99.200 -91.000 TYR 275 0.840 113.048 36.102 -21.723 -99.200 -91.000 TYR 281 0.840 108.214 28.199 -15.216 -99.200 -91.000 HIS 284 0.900 112.575 31.382 -8.587 -99.200 -91.000 TRP 292 1.040 112.883 20.355 -1.732 -99.200 -91.000 TRP6 292 1.020 114.538 20.065 -3.394 -99.200 -91.000 PHE 305 1.000 112.918 39.759 -12.385 -99.200 -91.000 TYR 316 0.840 109.550 31.366 -20.111 -99.200 -91.000 PHE 317 1.000 107.279 31.299 -11.987 -99.200 -91.000