============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 13 1.000 40.757 39.562 139.375 -99.200 -91.000 TYR 61 0.840 34.119 38.318 143.169 -99.200 -91.000 PHE 70 1.000 39.842 40.868 130.017 -99.200 -91.000 PHE 115 1.000 39.043 42.670 114.610 -99.200 -91.000 PHE 158 1.000 27.474 41.913 107.823 -99.200 -91.000 TYR 308 0.840 52.014 51.914 93.883 -99.200 -91.000 TYR 312 0.840 51.825 44.356 88.241 -99.200 -91.000 PHE 313 1.000 52.650 39.336 83.939 -99.200 -91.000 PHE 332 1.000 55.970 48.658 91.703 -99.200 -91.000 PHE 333 1.000 58.702 49.842 82.570 -99.200 -91.000 TYR 334 0.840 58.262 40.465 85.090 -99.200 -91.000 TRP 352 1.040 60.276 50.671 96.145 -99.200 -91.000 TRP6 352 1.020 59.219 48.628 96.765 -99.200 -91.000 HIS 357 0.900 58.737 38.336 80.326 -99.200 -91.000 TRP 382 1.040 67.140 42.812 71.723 -99.200 -91.000 TRP6 382 1.020 68.075 43.013 73.873 -99.200 -91.000 TYR 389 0.840 74.622 30.290 56.875 -99.200 -91.000 TYR 418 0.840 81.531 39.496 73.754 -99.200 -91.000 TRP 425 1.040 76.362 31.953 66.822 -99.200 -91.000 TRP6 425 1.020 75.801 34.279 66.890 -99.200 -91.000 TYR 430 0.840 69.145 29.533 56.410 -99.200 -91.000 TYR 436 0.840 73.542 38.256 72.304 -99.200 -91.000 PHE 438 1.000 71.106 40.944 78.538 -99.200 -91.000 PHE 451 1.000 70.310 44.966 81.021 -99.200 -91.000