============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 9.162 66.906 61.530 -99.200 -91.000 TRP6 14 1.020 9.500 68.513 63.243 -99.200 -91.000 PHE 19 1.000 2.012 49.354 56.371 -99.200 -91.000 TRP 37 1.040 -2.915 69.942 51.998 -99.200 -91.000 TRP6 37 1.020 -3.187 69.113 49.799 -99.200 -91.000 HIS 43 0.900 11.942 57.823 44.927 -99.200 -91.000 TYR 47 0.840 11.972 54.841 38.999 -99.200 -91.000 TRP 49 1.040 13.005 50.180 40.185 -99.200 -91.000 TRP6 49 1.020 13.667 51.355 42.130 -99.200 -91.000 PHE 53 1.000 2.722 51.378 45.389 -99.200 -91.000 HIS 65 0.900 10.379 55.598 69.695 -99.200 -91.000 TYR 70 0.840 -2.884 50.684 66.145 -99.200 -91.000 TYR 84 0.840 -3.692 66.950 44.595 -99.200 -91.000 HIS 86 0.900 6.509 69.665 39.742 -99.200 -91.000 TYR 89 0.840 8.754 61.573 39.420 -99.200 -91.000 TRP 91 1.040 8.541 59.081 34.979 -99.200 -91.000 TRP6 91 1.020 9.059 57.432 33.366 -99.200 -91.000 PHE 110 1.000 -1.477 69.784 63.809 -99.200 -91.000 TYR 113 0.840 3.472 61.031 72.064 -99.200 -91.000 HIS 115 0.900 3.469 70.939 66.466 -99.200 -91.000 TYR 132 0.840 25.575 77.218 57.615 -99.200 -91.000 TRP 139 1.040 10.506 53.700 61.631 -99.200 -91.000 TRP6 139 1.020 9.034 55.549 61.510 -99.200 -91.000 TRP 146 1.040 26.065 39.864 49.994 -99.200 -91.000 TRP6 146 1.020 26.459 38.285 48.285 -99.200 -91.000 PHE 184 1.000 19.252 69.861 50.212 -99.200 -91.000 TYR 188 0.840 29.605 63.813 58.540 -99.200 -91.000 PHE 207 1.000 19.436 68.024 55.067 -99.200 -91.000 PHE 213 1.000 18.885 84.507 61.996 -99.200 -91.000 TRP 217 1.040 13.283 71.275 65.055 -99.200 -91.000 TRP6 217 1.020 15.374 70.275 64.625 -99.200 -91.000 TYR 218 0.840 11.886 77.457 59.134 -99.200 -91.000 TRP 225 1.040 18.771 61.658 43.059 -99.200 -91.000 TRP6 225 1.020 21.021 61.506 42.354 -99.200 -91.000 TYR 235 0.840 29.631 63.683 48.841 -99.200 -91.000 PHE 237 1.000 23.083 64.022 44.509 -99.200 -91.000 TYR 238 0.840 19.114 64.458 51.552 -99.200 -91.000 HIS 240 0.900 16.836 74.077 47.071 -99.200 -91.000 PHE 242 1.000 12.601 79.405 48.059 -99.200 -91.000 TRP 247 1.040 3.293 71.127 42.036 -99.200 -91.000 TRP6 247 1.020 3.507 69.441 43.691 -99.200 -91.000 PHE 255 1.000 -6.126 70.537 43.116 -99.200 -91.000