============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TRP 5 1.040 34.483 21.898 141.053 -99.200 -91.000 TRP6 5 1.020 35.918 20.792 142.546 -99.200 -91.000 PHE 18 1.000 60.701 7.968 130.015 -99.200 -91.000 PHE 22 1.000 46.151 16.837 132.905 -99.200 -91.000 PHE 33 1.000 44.841 21.316 147.349 -99.200 -91.000 TYR 38 0.840 43.864 10.218 146.553 -99.200 -91.000 TYR 46 0.840 42.746 6.119 126.152 -99.200 -91.000 TYR 50 0.840 52.688 6.048 124.498 -99.200 -91.000 TYR 53 0.840 51.330 10.176 124.352 -99.200 -91.000 PHE 59 1.000 62.247 17.013 128.969 -99.200 -91.000 TRP 63 1.040 59.897 10.212 125.373 -99.200 -91.000 TRP6 63 1.020 57.590 9.739 125.431 -99.200 -91.000 TRP 68 1.040 59.337 8.889 119.367 -99.200 -91.000 TRP6 68 1.020 58.164 10.704 120.280 -99.200 -91.000 TYR 82 0.840 47.212 10.426 137.653 -99.200 -91.000 TYR 86 0.840 50.950 27.942 147.482 -99.200 -91.000 PHE 104 1.000 63.713 -2.351 126.165 -99.200 -91.000 TRP 111 1.040 58.201 -0.390 124.062 -99.200 -91.000 TRP6 111 1.020 59.004 0.842 125.901 -99.200 -91.000 TYR 123 0.840 41.982 10.902 128.312 -99.200 -91.000 PHE 125 1.000 53.021 11.729 129.496 -99.200 -91.000 TYR 137 0.840 38.423 11.404 146.268 -99.200 -91.000 PHE 140 1.000 52.343 12.292 152.211 -99.200 -91.000 HIS 141 0.900 45.710 15.310 155.191 -99.200 -91.000 TYR 150 0.840 58.518 17.019 153.449 -99.200 -91.000 HIS 165 0.900 49.740 24.652 154.097 -99.200 -91.000 PHE 167 1.000 60.025 25.970 154.477 -99.200 -91.000 TYR 178 0.840 61.709 17.301 147.979 -99.200 -91.000 TRP 179 1.040 67.961 15.016 152.283 -99.200 -91.000 TRP6 179 1.020 70.301 14.964 152.042 -99.200 -91.000 TYR 180 0.840 62.974 14.478 142.643 -99.200 -91.000 PHE 189 1.000 59.630 17.339 138.015 -99.200 -91.000 TYR 190 0.840 57.497 21.301 139.934 -99.200 -91.000 PHE 194 1.000 61.277 22.240 145.864 -99.200 -91.000 PHE 201 1.000 61.006 30.776 154.969 -99.200 -91.000 PHE 204 1.000 63.483 23.626 151.514 -99.200 -91.000 PHE 206 1.000 65.668 20.470 145.729 -99.200 -91.000 HIS 207 0.900 70.972 18.594 151.014 -99.200 -91.000 TRP 219 1.040 75.417 15.798 140.214 -99.200 -91.000 TRP6 219 1.020 73.779 17.473 140.266 -99.200 -91.000 TYR 222 0.840 75.290 15.545 148.935 -99.200 -91.000 PHE 225 1.000 70.859 2.462 144.392 -99.200 -91.000 HIS 227 0.900 69.173 3.421 149.705 -99.200 -91.000 TYR 231 0.840 74.146 5.091 156.953 -99.200 -91.000 TYR 234 0.840 70.598 15.834 158.080 -99.200 -91.000 HIS 238 0.900 70.079 14.386 163.146 -99.200 -91.000 TYR 246 0.840 63.504 9.994 158.941 -99.200 -91.000 TYR 247 0.840 56.101 14.628 157.078 -99.200 -91.000 PHE 269 1.000 54.294 10.600 159.842 -99.200 -91.000 PHE 270 1.000 55.664 4.740 150.398 -99.200 -91.000 PHE 273 1.000 52.469 9.060 143.678 -99.200 -91.000