============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 15 1.000 22.272 13.405 8.127 -99.200 -91.000 PHE 18 1.000 22.660 7.414 13.164 -99.200 -91.000 PHE 32 1.000 36.490 -6.667 15.604 -99.200 -91.000 TYR 39 0.840 35.508 2.704 1.972 -99.200 -91.000 HIS 51 0.900 30.855 -2.884 8.213 -99.200 -91.000 TRP 53 1.040 33.431 -7.128 7.428 -99.200 -91.000 TRP6 53 1.020 34.502 -6.778 9.496 -99.200 -91.000 TYR 62 0.840 31.951 -5.222 13.241 -99.200 -91.000 TRP 65 1.040 34.448 -6.585 20.043 -99.200 -91.000 TRP6 65 1.020 34.099 -4.537 18.930 -99.200 -91.000 PHE 72 1.000 29.953 -0.955 17.299 -99.200 -91.000 TYR 78 0.840 21.734 9.709 19.475 -99.200 -91.000 PHE 85 1.000 24.386 -6.334 8.965 -99.200 -91.000 TYR 88 0.840 24.936 -6.340 -0.789 -99.200 -91.000