============================================================================= 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 -43.410 -13.685 33.802 -99.200 -91.000 TYR 31 0.840 -28.645 -14.203 38.298 -99.200 -91.000 TYR 36 0.840 -31.822 -18.005 33.338 -99.200 -91.000 TYR 37 0.840 -33.549 -16.921 25.494 -99.200 -91.000 PHE 38 1.000 -38.316 -14.313 31.602 -99.200 -91.000 TRP 40 1.040 -45.183 -10.890 28.936 -99.200 -91.000 TRP6 40 1.020 -42.829 -10.673 29.082 -99.200 -91.000 TYR 42 0.840 -52.108 -12.216 19.967 -99.200 -91.000 PHE 57 1.000 -39.953 -8.629 18.818 -99.200 -91.000 PHE 66 1.000 -26.192 -6.206 16.089 -99.200 -91.000 TYR 89 0.840 -10.890 5.464 5.104 -99.200 -91.000 TRP 90 1.040 -17.763 9.965 -0.915 -99.200 -91.000 TRP6 90 1.020 -19.893 10.443 0.002 -99.200 -91.000 TRP 98 1.040 -17.732 17.426 4.361 -99.200 -91.000 TRP6 98 1.020 -18.535 15.751 5.821 -99.200 -91.000 HIS 105 0.900 -14.032 15.025 14.819 -99.200 -91.000 TYR 109 0.840 -24.317 9.430 17.637 -99.200 -91.000 PHE 131 1.000 -27.542 15.048 4.102 -99.200 -91.000 TYR 132 0.840 -23.480 12.743 4.405 -99.200 -91.000 TRP 135 1.040 -24.107 19.382 7.744 -99.200 -91.000 TRP6 135 1.020 -21.941 18.970 8.582 -99.200 -91.000 TRP 139 1.040 -22.717 23.718 17.240 -99.200 -91.000 TRP6 139 1.020 -24.078 21.787 17.143 -99.200 -91.000 TYR 147 0.840 -29.105 8.902 18.221 -99.200 -91.000 PHE 155 1.000 -17.377 4.402 12.157 -99.200 -91.000 PHE 167 1.000 -23.334 -1.590 7.546 -99.200 -91.000 PHE 176 1.000 -25.687 -9.396 11.405 -99.200 -91.000 HIS 183 0.900 -32.412 -18.151 13.299 -99.200 -91.000 TRP 185 1.040 -32.515 -12.595 9.164 -99.200 -91.000 TRP6 185 1.020 -31.035 -14.091 8.089 -99.200 -91.000 TYR 196 0.840 -39.936 -7.650 9.264 -99.200 -91.000 TRP 198 1.040 -47.270 -7.423 9.726 -99.200 -91.000 TRP6 198 1.020 -46.813 -5.934 7.933 -99.200 -91.000 TYR 200 0.840 -49.450 -4.246 14.988 -99.200 -91.000 HIS 207 0.900 -43.030 -5.640 8.371 -99.200 -91.000 TYR 218 0.840 -33.164 3.996 9.526 -99.200 -91.000 TRP 230 1.040 -25.390 -6.885 20.076 -99.200 -91.000 TRP6 230 1.020 -23.390 -6.923 18.827 -99.200 -91.000 TYR 256 0.840 -14.005 6.044 21.210 -99.200 -91.000 TRP 257 1.040 -16.442 12.302 21.417 -99.200 -91.000 TRP6 257 1.020 -15.102 14.209 21.009 -99.200 -91.000 TYR 263 0.840 -17.932 8.861 31.064 -99.200 -91.000 TRP 268 1.040 -22.362 -1.386 22.687 -99.200 -91.000 TRP6 268 1.020 -24.522 -2.181 23.229 -99.200 -91.000 TRP 273 1.040 -23.313 -1.031 38.744 -99.200 -91.000 TRP6 273 1.020 -25.660 -0.831 38.491 -99.200 -91.000 TRP 306 1.040 -27.354 1.433 32.201 -99.200 -91.000 TRP6 306 1.020 -28.881 0.036 33.347 -99.200 -91.000 HIS 308 0.900 -28.153 3.667 28.289 -99.200 -91.000 PHE 316 1.000 -41.132 -3.883 14.843 -99.200 -91.000 TYR 319 0.840 -32.610 0.342 27.732 -99.200 -91.000 PHE 322 1.000 -23.264 -4.622 27.509 -99.200 -91.000 TYR 338 0.840 -41.991 0.553 25.339 -99.200 -91.000 TRP 348 1.040 -31.622 1.372 38.028 -99.200 -91.000 TRP6 348 1.020 -32.708 1.166 40.126 -99.200 -91.000