============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 1 0.900 45.582 -33.616 -7.349 -99.200 -91.000 HIS 2 0.900 47.731 -33.685 -15.750 -99.200 -91.000 TYR 30 0.840 49.773 6.254 -5.498 -99.200 -91.000 TRP 36 1.040 55.723 14.036 3.935 -99.200 -91.000 TRP6 36 1.020 54.740 16.127 3.403 -99.200 -91.000 TYR 38 0.840 45.244 10.722 6.661 -99.200 -91.000 HIS 40 0.900 54.739 16.353 7.005 -99.200 -91.000 PHE 48 1.000 43.070 11.320 -4.838 -99.200 -91.000 PHE 50 1.000 43.441 3.999 4.019 -99.200 -91.000 HIS 52 0.900 45.455 5.882 -6.861 -99.200 -91.000 TYR 57 0.840 45.598 -6.121 -1.501 -99.200 -91.000 HIS 59 0.900 43.177 -0.997 -10.157 -99.200 -91.000 PHE 66 1.000 43.238 -13.378 -17.319 -99.200 -91.000 HIS 84 0.900 61.550 7.358 5.120 -99.200 -91.000 PHE 86 1.000 56.806 10.945 -0.357 -99.200 -91.000 PHE 93 1.000 48.139 14.627 -4.956 -99.200 -91.000 TYR 97 0.840 50.302 13.450 -14.934 -99.200 -91.000 HIS 99 0.900 53.895 4.544 -9.255 -99.200 -91.000 HIS 102 0.900 56.887 2.549 -14.599 -99.200 -91.000 HIS 113 0.900 53.997 -10.706 -25.204 -99.200 -91.000 HIS 120 0.900 43.115 -10.714 -29.955 -99.200 -91.000 PHE 123 1.000 42.701 -5.924 -27.012 -99.200 -91.000 PHE 125 1.000 41.849 -9.782 -16.412 -99.200 -91.000 TRP 128 1.040 39.462 -5.480 -15.632 -99.200 -91.000 TRP6 128 1.020 40.727 -4.663 -13.799 -99.200 -91.000 TYR 129 0.840 45.464 -3.084 -14.717 -99.200 -91.000 HIS 134 0.900 42.120 7.984 -20.267 -99.200 -91.000 PHE 140 1.000 46.925 10.166 -8.398 -99.200 -91.000 HIS 155 0.900 43.782 31.877 2.588 -99.200 -91.000 TYR 158 0.840 41.249 25.348 4.575 -99.200 -91.000 TYR 163 0.840 39.600 20.559 -6.680 -99.200 -91.000