============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 2 0.840 32.713 -1.858 46.446 -99.200 -91.000 TYR 12 0.840 22.617 -5.299 20.522 -99.200 -91.000 TRP 37 1.040 10.091 -2.437 28.046 -99.200 -91.000 TRP6 37 1.020 8.005 -1.366 27.752 -99.200 -91.000 PHE 47 1.000 8.088 -5.332 23.973 -99.200 -91.000 TRP 59 1.040 12.509 8.151 27.931 -99.200 -91.000 TRP6 59 1.020 12.614 6.484 29.591 -99.200 -91.000 PHE 60 1.000 8.955 9.331 31.078 -99.200 -91.000 PHE 71 1.000 2.068 12.517 9.310 -99.200 -91.000 TRP 73 1.040 -0.359 4.924 3.144 -99.200 -91.000 TRP6 73 1.020 1.865 5.485 2.530 -99.200 -91.000 TYR 84 0.840 4.336 3.599 30.609 -99.200 -91.000 TYR 93 0.840 21.014 15.093 20.547 -99.200 -91.000 TYR 99 0.840 13.463 8.375 15.564 -99.200 -91.000 TYR 122 0.840 33.914 1.390 6.140 -99.200 -91.000 PHE 123 1.000 37.003 -4.173 12.781 -99.200 -91.000 TYR 136 0.840 36.103 -9.381 9.975 -99.200 -91.000 TYR 139 0.840 37.747 -11.587 20.556 -99.200 -91.000 PHE 140 1.000 32.913 -8.746 13.485 -99.200 -91.000 HIS 151 0.900 22.406 -17.346 8.321 -99.200 -91.000 TRP 156 1.040 7.933 -18.972 4.599 -99.200 -91.000 TRP6 156 1.020 8.539 -16.992 5.664 -99.200 -91.000 PHE 157 1.000 13.135 -13.374 0.183 -99.200 -91.000 TRP 162 1.040 3.030 -13.091 5.637 -99.200 -91.000 TRP6 162 1.020 1.914 -11.329 6.741 -99.200 -91.000 TYR 163 0.840 10.361 -11.499 4.461 -99.200 -91.000 PHE 165 1.000 9.341 -6.286 2.522 -99.200 -91.000 PHE 182 1.000 17.997 -14.540 0.731 -99.200 -91.000 TYR 187 0.840 10.593 -12.378 14.394 -99.200 -91.000 PHE 189 1.000 14.829 -14.626 9.182 -99.200 -91.000 TYR 191 0.840 6.977 -17.407 16.934 -99.200 -91.000 TYR 211 0.840 5.742 2.087 18.157 -99.200 -91.000 HIS 215 0.900 4.060 -13.796 20.844 -99.200 -91.000 TYR 224 0.840 26.031 -11.667 24.303 -99.200 -91.000 HIS 240 0.900 17.275 1.840 40.463 -99.200 -91.000 TYR 253 0.840 36.169 5.261 38.286 -99.200 -91.000 TYR 276 0.840 37.513 -4.176 38.781 -99.200 -91.000 PHE 278 1.000 33.559 -3.221 32.906 -99.200 -91.000 TRP 310 1.040 26.721 10.681 17.100 -99.200 -91.000 TRP6 310 1.020 25.235 11.425 15.420 -99.200 -91.000 HIS 323 0.900 7.267 0.806 -13.643 -99.200 -91.000 TRP 325 1.040 4.634 -3.155 -14.453 -99.200 -91.000 TRP6 325 1.020 4.066 -1.117 -15.530 -99.200 -91.000 HIS 331 0.900 -1.822 -9.724 3.965 -99.200 -91.000 TRP 343 1.040 30.833 -0.209 2.157 -99.200 -91.000 TRP6 343 1.020 29.846 1.554 3.333 -99.200 -91.000 PHE 351 1.000 24.354 -3.950 3.796 -99.200 -91.000 TRP 364 1.040 0.916 -0.317 -6.705 -99.200 -91.000 TRP6 364 1.020 -1.230 0.264 -5.998 -99.200 -91.000 TYR 368 0.840 14.534 1.016 -1.822 -99.200 -91.000 PHE 380 1.000 26.729 13.314 21.289 -99.200 -91.000 TYR 382 0.840 27.573 19.888 30.853 -99.200 -91.000 TRP 393 1.040 24.336 15.817 11.704 -99.200 -91.000 TRP6 393 1.020 26.216 14.630 10.880 -99.200 -91.000 PHE 409 1.000