============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 17 0.840 36.078 -11.330 18.381 -99.200 -91.000 TYR 22 0.840 46.302 -1.509 4.681 -99.200 -91.000 TYR 49 0.840 41.982 9.756 8.341 -99.200 -91.000 PHE 60 1.000 49.598 20.893 11.187 -99.200 -91.000 TRP 73 1.040 48.443 25.028 33.272 -99.200 -91.000 TRP6 73 1.020 47.468 26.844 34.436 -99.200 -91.000 PHE 80 1.000 43.668 18.389 29.831 -99.200 -91.000 PHE 87 1.000 51.712 16.069 34.244 -99.200 -91.000 PHE 118 1.000 50.306 24.712 14.663 -99.200 -91.000 PHE 126 1.000 41.554 17.843 15.551 -99.200 -91.000 TYR 133 0.840 39.181 13.938 7.307 -99.200 -91.000 HIS 143 0.900 28.603 12.738 17.038 -99.200 -91.000 PHE 144 1.000 35.588 9.906 16.900 -99.200 -91.000 HIS 148 0.900 40.014 15.431 25.475 -99.200 -91.000 TYR 156 0.840 27.545 6.961 18.669 -99.200 -91.000 TYR 177 0.840 50.301 2.408 11.060 -99.200 -91.000 TYR 180 0.840 49.596 5.852 15.473 -99.200 -91.000 PHE 185 1.000 57.303 11.845 23.182 -99.200 -91.000 PHE 187 1.000 57.329 18.221 26.216 -99.200 -91.000 TRP 200 1.040 59.418 -2.896 23.778 -99.200 -91.000 TRP6 200 1.020 57.867 -1.103 23.877 -99.200 -91.000 HIS 213 0.900 40.791 1.167 31.902 -99.200 -91.000 TYR 219 0.840 42.306 -3.042 31.072 -99.200 -91.000 PHE 242 1.000 47.554 -4.657 33.947 -99.200 -91.000 TRP 255 1.040 41.726 -18.380 14.426 -99.200 -91.000 TRP6 255 1.020 40.307 -17.066 13.081 -99.200 -91.000 PHE 257 1.000 49.568 -11.982 10.635 -99.200 -91.000 PHE 259 1.000 43.722 -22.034 11.726 -99.200 -91.000 PHE 260 1.000 40.960 -16.962 7.798 -99.200 -91.000 PHE 272 1.000 40.607 -11.781 -15.403 -99.200 -91.000 TRP 278 1.040 31.345 -5.299 -32.892 -99.200 -91.000 TRP6 278 1.020 31.759 -6.268 -35.016 -99.200 -91.000 PHE 279 1.000 29.452 0.440 -34.350 -99.200 -91.000 TYR 294 0.840 46.400 -5.916 -2.416 -99.200 -91.000 TYR 309 0.840 36.086 -12.211 -19.433 -99.200 -91.000 HIS 317 0.900 27.773 -1.770 -30.331 -99.200 -91.000 PHE 331 1.000 39.634 -12.395 -8.770 -99.200 -91.000 PHE 354 1.000 39.302 3.943 -39.420 -99.200 -91.000