============================================================================= 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 12.876 -4.181 27.570 -99.200 -91.000 HIS 15 0.900 12.045 -10.691 20.561 -99.200 -91.000 TYR 20 0.840 21.204 -12.049 13.219 -99.200 -91.000 TYR 23 0.840 28.839 -8.050 15.552 -99.200 -91.000 TRP 28 1.040 23.537 -8.202 19.553 -99.200 -91.000 TRP6 28 1.020 23.017 -6.871 17.667 -99.200 -91.000 PHE 34 1.000 27.745 2.554 27.575 -99.200 -91.000 PHE 38 1.000 20.233 -1.334 29.582 -99.200 -91.000 TYR 53 0.840 12.407 7.913 15.061 -99.200 -91.000 TRP 62 1.040 21.054 5.229 5.573 -99.200 -91.000 TRP6 62 1.020 21.432 5.260 3.253 -99.200 -91.000 TRP 63 1.040 18.946 1.489 8.887 -99.200 -91.000 TRP6 63 1.020 19.467 -0.337 7.471 -99.200 -91.000 TRP 108 1.040 23.120 0.156 16.415 -99.200 -91.000 TRP6 108 1.020 23.050 -1.876 15.205 -99.200 -91.000 TRP 111 1.040 29.277 -2.913 19.562 -99.200 -91.000 TRP6 111 1.020 30.842 -3.236 17.819 -99.200 -91.000 TRP 123 1.040 27.986 -3.976 29.056 -99.200 -91.000 TRP6 123 1.020 26.841 -2.188 30.091 -99.200 -91.000