============================================================================= 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. TRP 5 1.040 46.696 30.060 11.032 -99.200 -91.000 TRP6 5 1.020 44.968 30.124 12.638 -99.200 -91.000 HIS 9 0.900 40.526 29.021 8.015 -99.200 -91.000 TRP 29 1.040 50.779 21.019 1.599 -99.200 -91.000 TRP6 29 1.020 50.187 20.932 3.884 -99.200 -91.000 HIS 34 0.900 59.229 28.639 5.296 -99.200 -91.000 TYR 35 0.840 56.525 31.394 5.759 -99.200 -91.000 TYR 36 0.840 51.112 30.266 9.599 -99.200 -91.000 TRP 40 1.040 44.655 22.473 15.478 -99.200 -91.000 TRP6 40 1.020 42.362 22.918 15.160 -99.200 -91.000 TYR 52 0.840 33.602 16.119 0.718 -99.200 -91.000 TYR 57 0.840 40.369 21.798 -8.309 -99.200 -91.000 TYR 61 0.840 43.567 23.773 -11.418 -99.200 -91.000 TYR 81 0.840 50.172 10.376 18.135 -99.200 -91.000