============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 22 0.900 3.601 6.528 4.480 -99.200 -91.000 PHE 24 1.000 0.434 4.197 9.659 -99.200 -91.000 TRP 32 1.040 -1.358 -0.338 13.503 -99.200 -91.000 TRP6 32 1.020 0.085 0.226 15.327 -99.200 -91.000 PHE 35 1.000 2.440 10.941 16.233 -99.200 -91.000 HIS 47 0.900 17.276 14.651 11.598 -99.200 -91.000 PHE 55 1.000 7.079 10.278 20.306 -99.200 -91.000 TYR 60 0.840 3.552 7.091 19.169 -99.200 -91.000 TYR 69 0.840 16.096 1.207 -1.028 -99.200 -91.000 TRP 70 1.040 17.059 -3.621 -1.521 -99.200 -91.000 TRP6 70 1.020 15.797 -3.624 0.464 -99.200 -91.000 HIS 79 0.900 4.761 -6.293 4.716 -99.200 -91.000 HIS 81 0.900 3.833 -1.428 4.272 -99.200 -91.000 PHE 86 1.000 8.383 4.269 18.912 -99.200 -91.000 TYR 96 0.840 10.984 6.453 22.113 -99.200 -91.000 TYR 105 0.840 12.979 -12.517 0.680 -99.200 -91.000 TYR 107 0.840 12.659 -5.717 10.069 -99.200 -91.000