============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 7 1.000 0.440 14.073 22.613 -99.200 -91.000 PHE 26 1.000 9.342 10.155 31.245 -99.200 -91.000 PHE 31 1.000 14.490 0.773 42.037 -99.200 -91.000 HIS 32 0.900 11.893 6.318 46.076 -99.200 -91.000 PHE 34 1.000 14.195 -0.971 51.207 -99.200 -91.000 PHE 43 1.000 -1.434 14.295 37.149 -99.200 -91.000 PHE 57 1.000 4.449 11.460 27.374 -99.200 -91.000 TRP 60 1.040 -4.422 10.422 35.491 -99.200 -91.000 TRP6 60 1.020 -5.316 10.790 37.643 -99.200 -91.000 TYR 68 0.840 -6.735 0.011 45.174 -99.200 -91.000 HIS 69 0.900 -10.321 -5.123 36.449 -99.200 -91.000 TYR 75 0.840 -7.586 5.978 38.393 -99.200 -91.000 TYR 76 0.840 -9.672 1.797 30.880 -99.200 -91.000 TYR 86 0.840 6.008 -8.598 30.581 -99.200 -91.000 PHE 94 1.000 3.839 -12.273 28.398 -99.200 -91.000 TRP 100 1.040 -4.262 -4.563 33.811 -99.200 -91.000 TRP6 100 1.020 -6.132 -3.261 34.454 -99.200 -91.000 PHE 131 1.000 13.370 -8.839 23.718 -99.200 -91.000 TYR 137 0.840 0.489 -9.982 24.042 -99.200 -91.000 PHE 145 1.000 8.681 -6.669 24.935 -99.200 -91.000 PHE 160 1.000 7.259 6.981 30.763 -99.200 -91.000