============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 13.527 42.457 49.013 -99.200 -91.000 HIS 15 0.900 4.346 38.932 49.355 -99.200 -91.000 TYR 20 0.840 1.830 30.500 57.511 -99.200 -91.000 TYR 23 0.840 8.192 29.386 63.892 -99.200 -91.000 TRP 28 1.040 8.511 34.276 59.245 -99.200 -91.000 TRP6 28 1.020 8.716 32.179 58.166 -99.200 -91.000 PHE 34 1.000 22.566 36.250 60.953 -99.200 -91.000 PHE 38 1.000 18.213 41.300 55.338 -99.200 -91.000 TYR 53 0.840 17.929 26.725 42.971 -99.200 -91.000 TRP 62 1.040 12.980 16.614 50.538 -99.200 -91.000 TRP6 62 1.020 11.833 14.572 50.257 -99.200 -91.000 TRP 63 1.040 11.272 22.084 50.579 -99.200 -91.000 TRP6 63 1.020 9.251 21.466 51.647 -99.200 -91.000 TRP 108 1.040 14.540 28.411 55.890 -99.200 -91.000 TRP6 108 1.020 12.244 28.115 56.377 -99.200 -91.000 TRP 111 1.040 14.950 30.975 62.899 -99.200 -91.000 TRP6 111 1.020 14.432 29.195 64.371 -99.200 -91.000 TRP 123 1.040 17.434 40.057 63.379 -99.200 -91.000 TRP6 123 1.020 19.216 40.763 61.995 -99.200 -91.000