============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 13 0.900 85.160 39.847 48.006 -99.200 -91.000 TRP 16 1.040 76.879 46.990 44.820 -99.200 -91.000 TRP6 16 1.020 74.754 47.997 44.931 -99.200 -91.000 HIS 36 0.900 88.672 19.672 48.554 -99.200 -91.000 TRP 52 1.040 79.612 46.025 34.234 -99.200 -91.000 TRP6 52 1.020 78.276 45.153 32.478 -99.200 -91.000 TYR 67 0.840 95.731 33.782 40.308 -99.200 -91.000 HIS 83 0.900 71.214 47.992 36.635 -99.200 -91.000 PHE 84 1.000 67.854 39.462 39.479 -99.200 -91.000 TYR 86 0.840 67.353 43.664 30.340 -99.200 -91.000 HIS 93 0.900 75.233 34.532 27.859 -99.200 -91.000 TYR 121 0.840 67.868 28.008 53.366 -99.200 -91.000 HIS 129 0.900 75.653 23.110 51.602 -99.200 -91.000 HIS 131 0.900 74.080 26.995 47.958 -99.200 -91.000 TRP 135 1.040 79.718 28.051 44.725 -99.200 -91.000 TRP6 135 1.020 79.021 30.177 45.491 -99.200 -91.000