============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 2 0.900 39.469 33.161 3.089 -99.200 -91.000 HIS 4 0.900 37.172 31.404 -6.141 -99.200 -91.000 HIS 20 0.900 13.919 20.600 -9.030 -99.200 -91.000 PHE 57 1.000 12.828 0.721 -39.140 -99.200 -91.000 TYR 58 0.840 16.514 -0.829 -30.965 -99.200 -91.000 PHE 79 1.000 28.156 5.138 -28.642 -99.200 -91.000 HIS 80 0.900 29.971 11.621 -31.071 -99.200 -91.000 TYR 84 0.840 27.023 14.947 -33.713 -99.200 -91.000 PHE 93 1.000 17.136 9.509 -35.005 -99.200 -91.000 TYR 137 0.840 28.897 15.348 -26.915 -99.200 -91.000 PHE 144 1.000 19.965 13.528 -19.525 -99.200 -91.000 TRP 147 1.040 32.338 8.826 -15.489 -99.200 -91.000 TRP6 147 1.020 33.966 9.562 -17.035 -99.200 -91.000 HIS 156 0.900 39.181 -11.138 1.448 -99.200 -91.000 TYR 173 0.840 29.959 12.814 -15.225 -99.200 -91.000 HIS 196 0.900 26.118 -9.910 -3.213 -99.200 -91.000 TYR 203 0.840 29.178 -2.480 6.157 -99.200 -91.000 TYR 213 0.840 25.590 12.238 -2.909 -99.200 -91.000 HIS 219 0.900 36.960 16.926 -7.034 -99.200 -91.000 HIS 220 0.900 35.194 23.626 -3.742 -99.200 -91.000 TYR 222 0.840 23.355 24.349 -7.257 -99.200 -91.000 HIS 237 0.900 20.725 -11.066 -10.308 -99.200 -91.000 TYR 243 0.840 16.634 -12.002 1.407 -99.200 -91.000 HIS 245 0.900 8.715 -7.977 -5.458 -99.200 -91.000 PHE 269 1.000 16.205 3.420 -7.236 -99.200 -91.000 TRP 295 1.040 16.583 12.288 -1.549 -99.200 -91.000 TRP6 295 1.020 16.299 10.180 -0.509 -99.200 -91.000 PHE 299 1.000 10.641 5.177 -15.912 -99.200 -91.000 TYR 301 0.840 13.767 0.475 -14.398 -99.200 -91.000 TRP 313 1.040 12.068 -4.217 -35.827 -99.200 -91.000 TRP6 313 1.020 14.405 -4.474 -36.042 -99.200 -91.000 TYR 327 0.840 9.729 3.289 -25.005 -99.200 -91.000 TYR 342 0.840 2.246 -1.553 -12.757 -99.200 -91.000 PHE 357 1.000 20.501 -19.307 -8.535 -99.200 -91.000 HIS 361 0.900 17.189 -27.616 -8.725 -99.200 -91.000 TYR 363 0.840 20.739 -26.103 0.933 -99.200 -91.000