============================================================================= 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 7 1.000 81.291 19.693 11.989 -99.200 -91.000 PHE 10 1.000 71.489 7.525 8.276 -99.200 -91.000 TRP 21 1.040 49.417 5.727 4.628 -99.200 -91.000 TRP6 21 1.020 48.426 7.412 3.284 -99.200 -91.000 PHE 22 1.000 56.192 4.441 -1.398 -99.200 -91.000 HIS 32 0.900 74.163 5.565 10.550 -99.200 -91.000 PHE 41 1.000 88.404 -2.264 22.419 -99.200 -91.000 PHE 50 1.000 66.861 11.919 29.631 -99.200 -91.000 PHE 60 1.000 71.141 2.056 21.140 -99.200 -91.000 TYR 86 0.840 60.057 -4.364 16.820 -99.200 -91.000 PHE 94 1.000 61.612 -2.053 28.700 -99.200 -91.000 PHE 99 1.000 70.966 9.275 32.640 -99.200 -91.000 PHE 105 1.000 72.963 5.412 43.120 -99.200 -91.000 PHE 112 1.000 70.045 7.409 21.656 -99.200 -91.000 TRP 117 1.040 65.897 17.461 21.295 -99.200 -91.000 TRP6 117 1.020 65.564 17.153 18.965 -99.200 -91.000 PHE 121 1.000 67.989 22.859 22.081 -99.200 -91.000 PHE 130 1.000 77.225 22.398 28.882 -99.200 -91.000 PHE 133 1.000 78.990 14.436 27.758 -99.200 -91.000 TYR 145 0.840 73.429 15.393 24.837 -99.200 -91.000 PHE 146 1.000 68.081 12.432 17.234 -99.200 -91.000 PHE 172 1.000 72.624 17.396 5.536 -99.200 -91.000 TYR 183 0.840 77.615 8.745 16.470 -99.200 -91.000 PHE 184 1.000 80.309 13.982 23.013 -99.200 -91.000