============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 5 0.900 9.333 2.146 37.714 -99.200 -91.000 HIS 10 0.900 21.537 4.071 49.642 -99.200 -91.000 TYR 14 0.840 19.146 13.567 40.982 -99.200 -91.000 TYR 17 0.840 10.357 14.145 52.850 -99.200 -91.000 TRP 21 1.040 4.442 23.501 61.189 -99.200 -91.000 TRP6 21 1.020 4.114 24.782 63.151 -99.200 -91.000 PHE 32 1.000 16.800 20.098 41.419 -99.200 -91.000 PHE 38 1.000 23.667 28.247 48.363 -99.200 -91.000 HIS 44 0.900 4.641 24.923 44.612 -99.200 -91.000 TRP 46 1.040 7.750 30.988 52.298 -99.200 -91.000 TRP6 46 1.020 9.401 32.652 52.558 -99.200 -91.000 HIS 57 0.900 15.747 3.361 49.834 -99.200 -91.000 PHE 68 1.000 15.978 16.239 59.892 -99.200 -91.000 HIS 77 0.900 13.467 34.854 40.525 -99.200 -91.000 TYR 80 0.840 5.944 31.704 44.692 -99.200 -91.000 PHE 85 1.000 0.978 27.465 41.823 -99.200 -91.000 TRP 127 1.040 10.874 10.077 49.340 -99.200 -91.000 TRP6 127 1.020 12.766 11.460 49.061 -99.200 -91.000 HIS 136 0.900 1.746 13.989 51.620 -99.200 -91.000 HIS 138 0.900 5.110 5.481 54.590 -99.200 -91.000 HIS 159 0.900 -5.364 33.771 31.761 -99.200 -91.000 TYR 160 0.840 -3.944 29.203 38.167 -99.200 -91.000 TYR 161 0.840 2.747 26.128 30.229 -99.200 -91.000 PHE 178 1.000 -2.219 14.211 42.954 -99.200 -91.000 TYR 198 0.840 0.645 25.077 37.551 -99.200 -91.000 PHE 215 1.000 13.283 30.873 36.485 -99.200 -91.000 HIS 217 0.900 22.476 36.180 35.503 -99.200 -91.000 TRP 218 1.040 18.389 34.661 41.586 -99.200 -91.000 TRP6 218 1.020 17.169 32.947 42.668 -99.200 -91.000 TYR 226 0.840 19.997 40.521 49.297 -99.200 -91.000