============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 7 0.840 9.658 78.445 88.657 -99.200 -91.000 HIS 19 0.900 5.506 69.425 99.837 -99.200 -91.000 TRP 38 1.040 11.320 83.706 83.491 -99.200 -91.000 TRP6 38 1.020 10.917 81.363 83.644 -99.200 -91.000 PHE 42 1.000 13.540 75.878 83.333 -99.200 -91.000 HIS 58 0.900 9.580 58.663 81.239 -99.200 -91.000 TYR 68 0.840 -0.117 62.682 94.877 -99.200 -91.000 HIS 74 0.900 -0.546 65.208 81.357 -99.200 -91.000 PHE 83 1.000 13.234 74.714 77.114 -99.200 -91.000 PHE 88 1.000 17.077 78.977 74.441 -99.200 -91.000 PHE 154 1.000 6.423 52.194 63.782 -99.200 -91.000 PHE 189 1.000 11.290 56.246 56.966 -99.200 -91.000 HIS 192 0.900 11.031 48.596 56.789 -99.200 -91.000 HIS 203 0.900 -7.361 46.276 56.070 -99.200 -91.000 PHE 224 1.000 -2.260 55.016 56.749 -99.200 -91.000 PHE 232 1.000 -1.404 51.274 42.785 -99.200 -91.000 PHE 233 1.000 -2.085 56.073 41.133 -99.200 -91.000 PHE 249 1.000 11.052 36.697 27.444 -99.200 -91.000 PHE 253 1.000 16.587 32.666 34.552 -99.200 -91.000 HIS 268 0.900 9.273 30.403 48.829 -99.200 -91.000 PHE 269 1.000 13.030 33.249 39.359 -99.200 -91.000 HIS 275 0.900 4.425 24.802 41.153 -99.200 -91.000 TYR 283 0.840 -3.448 28.576 18.887 -99.200 -91.000 TYR 289 0.840 -5.021 28.059 32.785 -99.200 -91.000 TYR 290 0.840 2.706 31.602 30.624 -99.200 -91.000 HIS 303 0.900 -1.442 44.293 48.210 -99.200 -91.000 PHE 311 1.000 3.984 39.233 52.264 -99.200 -91.000 HIS 315 0.900 -9.624 32.591 51.479 -99.200 -91.000