============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TRP 17 1.040 29.223 60.272-161.987 -99.200 -91.000 TRP6 17 1.020 27.253 59.967-160.712 -99.200 -91.000 HIS 22 0.900 29.807 51.414-159.432 -99.200 -91.000 HIS 34 0.900 18.491 58.491-156.846 -99.200 -91.000 HIS 42 0.900 38.149 69.268-146.509 -99.200 -91.000 TYR 51 0.840 22.176 68.073-149.404 -99.200 -91.000 HIS 72 0.900 38.154 66.525-142.813 -99.200 -91.000 TRP 80 1.040 25.923 72.149-139.616 -99.200 -91.000 TRP6 80 1.020 27.932 72.191-140.862 -99.200 -91.000 TYR 137 0.840 10.347 54.992-143.674 -99.200 -91.000 TRP 148 1.040 18.699 44.070-156.176 -99.200 -91.000 TRP6 148 1.020 20.680 43.603-154.970 -99.200 -91.000