============================================================================= 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 54.223 21.631 48.828 -99.200 -91.000 TRP6 14 1.020 54.010 21.888 51.173 -99.200 -91.000 PHE 19 1.000 61.701 26.278 33.704 -99.200 -91.000 TRP 37 1.040 62.241 8.838 44.500 -99.200 -91.000 TRP6 37 1.020 61.992 7.640 42.473 -99.200 -91.000 HIS 43 0.900 48.557 16.554 31.364 -99.200 -91.000 TYR 47 0.840 47.944 14.492 24.357 -99.200 -91.000 TRP 49 1.040 48.644 17.871 20.839 -99.200 -91.000 TRP6 49 1.020 48.309 19.218 22.756 -99.200 -91.000 PHE 53 1.000 58.855 17.446 25.983 -99.200 -91.000 HIS 65 0.900 56.980 34.436 45.631 -99.200 -91.000 TYR 70 0.840 69.985 32.461 39.310 -99.200 -91.000 TYR 84 0.840 61.364 5.301 37.177 -99.200 -91.000 HIS 86 0.900 49.719 3.654 36.164 -99.200 -91.000 TYR 89 0.840 49.219 9.523 30.052 -99.200 -91.000 TRP 91 1.040 48.828 7.437 25.117 -99.200 -91.000 TRP6 91 1.020 48.254 7.342 22.821 -99.200 -91.000 PHE 110 1.000 64.670 17.895 52.304 -99.200 -91.000 TYR 113 0.840 63.575 30.948 51.180 -99.200 -91.000 HIS 115 0.900 60.344 20.626 54.925 -99.200 -91.000 TYR 132 0.840 35.694 17.871 54.887 -99.200 -91.000 TRP 139 1.040 55.486 30.352 39.222 -99.200 -91.000 TRP6 139 1.020 56.184 28.371 40.323 -99.200 -91.000 TRP 146 1.040 38.102 31.917 23.828 -99.200 -91.000 TRP6 146 1.020 36.436 33.563 23.501 -99.200 -91.000 PHE 184 1.000 40.873 15.043 43.878 -99.200 -91.000 TYR 188 0.840 34.581 28.340 45.534 -99.200 -91.000 PHE 207 1.000 42.622 19.823 45.762 -99.200 -91.000 PHE 213 1.000 42.128 13.952 61.305 -99.200 -91.000 TRP 217 1.040 50.455 22.677 54.786 -99.200 -91.000 TRP6 217 1.020 48.469 23.713 54.019 -99.200 -91.000 TYR 218 0.840 49.084 14.036 55.275 -99.200 -91.000 TRP 225 1.040 41.032 15.599 32.997 -99.200 -91.000 TRP6 225 1.020 38.756 15.914 32.425 -99.200 -91.000 TYR 235 0.840 31.839 21.691 39.019 -99.200 -91.000 PHE 237 1.000 36.727 16.505 35.813 -99.200 -91.000 TYR 238 0.840 42.484 19.607 40.728 -99.200 -91.000 HIS 240 0.900 41.665 9.614 45.151 -99.200 -91.000 PHE 242 1.000 45.138 5.828 49.959 -99.200 -91.000 TRP 247 1.040 52.999 2.994 38.757 -99.200 -91.000 TRP6 247 1.020 53.779 5.218 38.593 -99.200 -91.000 PHE 255 1.000 62.147 0.631 38.127 -99.200 -91.000