============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 17 1.000 30.946 21.974 -14.194 -99.200 -91.000 PHE 27 1.000 30.388 34.847 -9.767 -99.200 -91.000 TYR 37 0.840 29.051 46.191 -17.356 -99.200 -91.000 TYR 53 0.840 27.955 43.748 -1.883 -99.200 -91.000 HIS 57 0.900 23.273 41.419 7.882 -99.200 -91.000 TRP 63 1.040 13.837 36.985 -3.511 -99.200 -91.000 TRP6 63 1.020 14.561 34.777 -3.166 -99.200 -91.000 TRP 70 1.040 21.162 31.434 -8.217 -99.200 -91.000 TRP6 70 1.020 19.099 31.804 -7.165 -99.200 -91.000 HIS 71 0.900 21.275 34.345 -17.838 -99.200 -91.000 HIS 72 0.900 28.596 36.465 -14.532 -99.200 -91.000 PHE 74 1.000 22.349 27.903 -13.137 -99.200 -91.000 TYR 75 0.840 22.111 30.356 -19.321 -99.200 -91.000 HIS 85 0.900 24.876 20.111 -16.302 -99.200 -91.000 PHE 108 1.000 12.412 21.905 -9.595 -99.200 -91.000 PHE 111 1.000 18.078 30.663 -13.494 -99.200 -91.000 TYR 117 0.840 18.742 18.570 -0.457 -99.200 -91.000 TYR 127 0.840 26.959 16.420 5.461 -99.200 -91.000 HIS 145 0.900 23.774 31.784 10.812 -99.200 -91.000 TYR 150 0.840 23.277 12.793 17.630 -99.200 -91.000 TYR 153 0.840 19.368 14.461 8.499 -99.200 -91.000 HIS 157 0.900 17.478 21.961 19.714 -99.200 -91.000 TYR 172 0.840 37.163 47.959 15.176 -99.200 -91.000 TYR 182 0.840 48.227 55.151 7.710 -99.200 -91.000 PHE 184 1.000 43.482 53.234 3.920 -99.200 -91.000 TYR 202 0.840 48.832 39.179 15.087 -99.200 -91.000 PHE 207 1.000 42.733 43.393 22.341 -99.200 -91.000 TYR 224 0.840 48.413 46.565 1.647 -99.200 -91.000 PHE 239 1.000 47.337 43.215 18.570 -99.200 -91.000 PHE 246 1.000 38.066 35.107 19.467 -99.200 -91.000 PHE 250 1.000 37.716 45.422 20.976 -99.200 -91.000 HIS 259 0.900 34.601 34.421 23.742 -99.200 -91.000 TYR 263 0.840 28.960 27.645 27.982 -99.200 -91.000 TYR 278 0.840 32.113 21.748 25.207 -99.200 -91.000 TYR 290 0.840 40.656 37.720 10.556 -99.200 -91.000 TYR 321 0.840 37.894 28.769 -1.849 -99.200 -91.000 TRP 324 1.040 31.476 24.587 -4.851 -99.200 -91.000 TRP6 324 1.020 32.745 22.794 -5.725 -99.200 -91.000 PHE 336 1.000 21.882 15.137 -2.372 -99.200 -91.000 TRP 340 1.040 19.904 14.959 -7.080 -99.200 -91.000 TRP6 340 1.020 21.013 17.023 -6.858 -99.200 -91.000 TYR 346 0.840 8.066 23.667 -8.663 -99.200 -91.000 HIS 355 0.900 8.847 24.718 3.250 -99.200 -91.000