============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 25 1.000 26.589 3.329 44.653 -99.200 -91.000 TYR 48 0.840 24.576 15.646 49.229 -99.200 -91.000 PHE 67 1.000 24.647 -1.754 58.619 -99.200 -91.000 PHE 78 1.000 31.814 0.535 46.227 -99.200 -91.000 PHE 83 1.000 47.159 2.790 56.422 -99.200 -91.000 HIS 85 0.900 53.078 -0.004 55.614 -99.200 -91.000 HIS 86 0.900 56.234 4.931 51.071 -99.200 -91.000 TRP 97 1.040 51.216 -9.412 56.938 -99.200 -91.000 TRP6 97 1.020 52.023 -9.141 54.724 -99.200 -91.000 PHE 99 1.000 45.345 -0.100 60.626 -99.200 -91.000 TYR 109 0.840 35.379 -14.251 57.273 -99.200 -91.000 PHE 115 1.000 24.952 -6.305 55.864 -99.200 -91.000 TYR 146 0.840 46.642 -0.433 48.354 -99.200 -91.000 PHE 164 1.000 27.753 -18.302 47.999 -99.200 -91.000 PHE 201 1.000 51.799 8.951 45.028 -99.200 -91.000 PHE 210 1.000 47.653 12.316 40.964 -99.200 -91.000 TYR 222 0.840 28.405 -1.299 33.264 -99.200 -91.000 TYR 230 0.840 25.385 -13.018 30.253 -99.200 -91.000 TRP 242 1.040 50.559 2.587 37.117 -99.200 -91.000 TRP6 242 1.020 49.712 2.416 39.340 -99.200 -91.000