============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 -45.268 -13.603 33.667 -99.200 -91.000 TYR 31 0.840 -30.329 -14.999 38.430 -99.200 -91.000 TYR 36 0.840 -33.732 -18.553 33.363 -99.200 -91.000 TYR 37 0.840 -35.442 -17.242 25.507 -99.200 -91.000 PHE 38 1.000 -40.069 -14.694 31.818 -99.200 -91.000 TRP 40 1.040 -46.709 -10.624 28.975 -99.200 -91.000 TRP6 40 1.020 -44.347 -10.569 29.095 -99.200 -91.000 TYR 42 0.840 -53.467 -12.164 20.115 -99.200 -91.000 PHE 57 1.000 -41.300 -8.821 18.797 -99.200 -91.000 PHE 66 1.000 -27.236 -7.366 16.074 -99.200 -91.000 TYR 89 0.840 -11.010 3.619 5.513 -99.200 -91.000 TRP 90 1.040 -17.536 8.320 -0.733 -99.200 -91.000 TRP6 90 1.020 -19.512 9.049 0.339 -99.200 -91.000 TRP 98 1.040 -17.311 15.641 4.415 -99.200 -91.000 TRP6 98 1.020 -18.204 13.995 5.857 -99.200 -91.000 HIS 105 0.900 -13.933 13.078 14.902 -99.200 -91.000 TYR 109 0.840 -24.578 8.137 17.538 -99.200 -91.000 PHE 131 1.000 -27.244 13.717 3.714 -99.200 -91.000 TYR 132 0.840 -23.285 11.186 4.188 -99.200 -91.000 TRP 135 1.040 -23.451 17.946 7.685 -99.200 -91.000 TRP6 135 1.020 -21.285 17.410 8.461 -99.200 -91.000 TRP 139 1.040 -22.059 22.405 17.314 -99.200 -91.000 TRP6 139 1.020 -23.619 20.639 17.107 -99.200 -91.000 TYR 147 0.840 -29.467 8.106 17.975 -99.200 -91.000 PHE 155 1.000 -17.859 2.642 12.108 -99.200 -91.000 PHE 167 1.000 -23.899 -2.831 7.571 -99.200 -91.000 PHE 176 1.000 -26.943 -10.508 11.462 -99.200 -91.000 HIS 183 0.900 -34.211 -19.028 13.471 -99.200 -91.000 TRP 185 1.040 -33.999 -13.312 9.240 -99.200 -91.000 TRP6 185 1.020 -32.743 -14.923 8.052 -99.200 -91.000 TYR 196 0.840 -41.107 -8.217 9.369 -99.200 -91.000 TRP 198 1.040 -48.422 -7.570 9.696 -99.200 -91.000 TRP6 198 1.020 -47.797 -6.184 7.883 -99.200 -91.000 TYR 200 0.840 -50.494 -4.220 14.940 -99.200 -91.000 HIS 207 0.900 -43.924 -5.830 8.272 -99.200 -91.000 TYR 218 0.840 -33.558 3.106 9.420 -99.200 -91.000 TRP 230 1.040 -26.432 -8.158 19.954 -99.200 -91.000 TRP6 230 1.020 -24.392 -8.326 18.769 -99.200 -91.000 TYR 256 0.840 -14.347 4.149 21.261 -99.200 -91.000 TRP 257 1.040 -16.490 10.555 21.494 -99.200 -91.000 TRP6 257 1.020 -15.010 12.351 21.074 -99.200 -91.000 TYR 263 0.840 -18.149 7.003 31.157 -99.200 -91.000 TRP 268 1.040 -23.137 -2.851 22.642 -99.200 -91.000 TRP6 268 1.020 -25.335 -3.520 23.223 -99.200 -91.000 TRP 273 1.040 -23.968 -2.341 39.013 -99.200 -91.000 TRP6 273 1.020 -26.299 -2.113 38.696 -99.200 -91.000 TRP 309 1.040 -28.008 0.373 32.373 -99.200 -91.000 TRP6 309 1.020 -29.523 -1.025 33.538 -99.200 -91.000 HIS 311 0.900 -28.660 2.550 28.361 -99.200 -91.000 PHE 319 1.000 -42.132 -4.238 14.828 -99.200 -91.000 TYR 322 0.840 -33.275 -0.324 27.727 -99.200 -91.000 PHE 325 1.000 -24.365 -5.896 27.508 -99.200 -91.000 TYR 341 0.840 -42.696 0.488 25.226 -99.200 -91.000 TRP 351 1.040 -33.745 0.934 38.467 -99.200 -91.000 TRP6 351 1.020 -31.439 0.726 38.933 -99.200 -91.000