============================================================================= 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 -3.975 12.644 9.643 -99.200 -91.000 HIS 15 0.900 -10.647 12.082 17.095 -99.200 -91.000 TYR 20 0.840 -12.107 21.138 23.899 -99.200 -91.000 TYR 23 0.840 -8.096 28.818 21.281 -99.200 -91.000 TRP 28 1.040 -8.252 23.403 17.436 -99.200 -91.000 TRP6 28 1.020 -6.916 22.890 19.298 -99.200 -91.000 PHE 34 1.000 2.641 27.635 9.390 -99.200 -91.000 PHE 38 1.000 -1.215 20.134 7.454 -99.200 -91.000 TYR 53 0.840 8.059 12.518 22.046 -99.200 -91.000 TRP 62 1.040 5.406 21.493 31.627 -99.200 -91.000 TRP6 62 1.020 5.249 21.714 33.986 -99.200 -91.000 TRP 63 1.040 1.599 19.251 28.143 -99.200 -91.000 TRP6 63 1.020 -0.165 19.862 29.589 -99.200 -91.000 TRP 108 1.040 -0.007 23.052 20.644 -99.200 -91.000 TRP6 108 1.020 -1.990 23.010 21.874 -99.200 -91.000 TRP 111 1.040 -3.031 29.251 17.313 -99.200 -91.000 TRP6 111 1.020 -3.375 30.851 19.006 -99.200 -91.000 TRP 123 1.040 -3.446 27.777 7.601 -99.200 -91.000 TRP6 123 1.020 -1.834 26.611 6.338 -99.200 -91.000