============================================================================= 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 64.598 48.820 1.860 -99.200 -91.000 TRP 16 1.040 59.238 39.441 5.309 -99.200 -91.000 TRP6 16 1.020 57.499 38.131 6.215 -99.200 -91.000 HIS 36 0.900 71.742 66.243 10.303 -99.200 -91.000 TRP 52 1.040 68.434 35.008 9.128 -99.200 -91.000 TRP6 52 1.020 68.933 34.366 11.345 -99.200 -91.000 TYR 67 0.840 78.709 52.114 1.928 -99.200 -91.000 HIS 83 0.900 60.012 33.120 12.300 -99.200 -91.000 PHE 84 1.000 58.407 40.299 17.936 -99.200 -91.000 TYR 86 0.840 63.097 31.669 20.404 -99.200 -91.000 HIS 93 0.900 72.158 39.564 21.350 -99.200 -91.000 TYR 121 0.840 51.780 57.037 17.285 -99.200 -91.000 HIS 129 0.900 59.623 61.914 15.493 -99.200 -91.000 HIS 131 0.900 59.930 56.514 16.278 -99.200 -91.000 TRP 135 1.040 65.994 55.332 13.593 -99.200 -91.000 TRP6 135 1.020 64.405 53.947 12.495 -99.200 -91.000