============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TRP 5 1.040 30.491 47.605 29.385 -99.200 -91.000 TRP6 5 1.020 31.487 47.627 27.237 -99.200 -91.000 HIS 11 0.900 38.785 45.161 31.850 -99.200 -91.000 TRP 29 1.040 44.463 58.356 42.246 -99.200 -91.000 TRP6 29 1.020 45.768 57.686 44.103 -99.200 -91.000 PHE 30 1.000 47.415 63.521 37.068 -99.200 -91.000 TYR 32 0.840 42.056 67.324 48.079 -99.200 -91.000 PHE 36 1.000 50.546 72.903 45.328 -99.200 -91.000 TRP 50 1.040 42.147 74.786 47.559 -99.200 -91.000 TRP6 50 1.020 42.871 75.151 45.329 -99.200 -91.000 HIS 69 0.900 50.896 62.098 22.308 -99.200 -91.000 TRP 74 1.040 50.769 52.894 28.196 -99.200 -91.000 TRP6 74 1.020 49.955 53.696 30.270 -99.200 -91.000 TRP 76 1.040 52.501 52.338 35.453 -99.200 -91.000 TRP6 76 1.020 51.842 51.597 37.598 -99.200 -91.000 TYR 83 0.840 53.822 56.788 32.006 -99.200 -91.000 PHE 90 1.000 47.742 66.145 32.966 -99.200 -91.000 TYR 98 0.840 47.263 70.390 29.503 -99.200 -91.000 HIS 101 0.900 51.572 75.679 41.127 -99.200 -91.000 TRP 117 1.040 34.790 71.622 44.276 -99.200 -91.000 TRP6 117 1.020 32.698 71.533 43.170 -99.200 -91.000 PHE 118 1.000 37.016 76.126 39.069 -99.200 -91.000 PHE 133 1.000 48.085 80.004 27.114 -99.200 -91.000 TRP 136 1.040 53.955 66.431 22.447 -99.200 -91.000 TRP6 136 1.020 53.427 65.091 24.328 -99.200 -91.000 TYR 142 0.840 31.218 71.356 20.832 -99.200 -91.000 TRP 164 1.040 39.547 64.959 14.035 -99.200 -91.000 TRP6 164 1.020 37.414 65.762 13.403 -99.200 -91.000 TYR 184 0.840 17.505 62.542 31.850 -99.200 -91.000 PHE 188 1.000 26.240 59.303 34.091 -99.200 -91.000 PHE 192 1.000 30.572 56.045 32.744 -99.200 -91.000 TYR 209 0.840 33.888 61.160 44.963 -99.200 -91.000 TYR 210 0.840 38.361 60.262 34.960 -99.200 -91.000 PHE 211 1.000 31.406 59.546 39.490 -99.200 -91.000 PHE 214 1.000 27.771 50.175 33.028 -99.200 -91.000 PHE 221 1.000 33.963 56.802 43.543 -99.200 -91.000 HIS 225 0.900 37.721 64.029 47.290 -99.200 -91.000 PHE 230 1.000 56.455 69.675 43.503 -99.200 -91.000 PHE 244 1.000 52.200 61.911 39.909 -99.200 -91.000 HIS 245 0.900 50.134 54.798 36.987 -99.200 -91.000 PHE 266 1.000 31.230 60.833 25.122 -99.200 -91.000 PHE 267 1.000 41.744 61.214 21.988 -99.200 -91.000 PHE 274 1.000 32.118 64.671 15.722 -99.200 -91.000 TRP 277 1.040 30.637 60.377 20.914 -99.200 -91.000 TRP6 277 1.020 29.521 62.442 20.590 -99.200 -91.000 PHE 293 1.000 24.887 63.308 24.691 -99.200 -91.000 HIS 299 0.900 25.855 78.033 16.234 -99.200 -91.000