============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 15.459 -1.209 27.493 -99.200 -91.000 PHE 6 1.000 21.752 -2.575 23.837 -99.200 -91.000 PHE 32 1.000 16.411 7.041 10.151 -99.200 -91.000 TYR 62 0.840 5.643 22.324 20.140 -99.200 -91.000 HIS 63 0.900 5.446 19.089 16.027 -99.200 -91.000 HIS 80 0.900 2.003 1.992 20.729 -99.200 -91.000 PHE 82 1.000 -5.505 9.652 16.834 -99.200 -91.000 TRP 85 1.040 4.613 1.528 15.003 -99.200 -91.000 TRP6 85 1.020 5.794 0.810 13.094 -99.200 -91.000 PHE 96 1.000 15.405 20.527 18.853 -99.200 -91.000 PHE 108 1.000 4.492 25.009 25.141 -99.200 -91.000 HIS 121 0.900 0.284 6.461 31.705 -99.200 -91.000 PHE 131 1.000 10.539 19.375 29.930 -99.200 -91.000 TYR 137 0.840 28.040 25.032 18.261 -99.200 -91.000 TRP 154 1.040 14.077 20.537 35.146 -99.200 -91.000 TRP6 154 1.020 13.644 21.758 33.158 -99.200 -91.000 PHE 162 1.000 9.295 5.030 33.162 -99.200 -91.000 PHE 175 1.000 16.412 4.640 25.747 -99.200 -91.000 PHE 183 1.000 32.060 24.135 26.582 -99.200 -91.000 PHE 199 1.000 17.580 8.392 33.606 -99.200 -91.000 TYR 202 0.840 22.308 5.740 30.752 -99.200 -91.000 PHE 217 1.000 31.415 11.916 12.678 -99.200 -91.000 PHE 222 1.000 34.634 15.304 24.499 -99.200 -91.000 HIS 233 0.900 26.136 3.701 24.476 -99.200 -91.000 TYR 234 0.840 17.262 8.780 20.551 -99.200 -91.000 PHE 255 1.000 22.632 6.664 14.485 -99.200 -91.000 PHE 260 1.000 19.177 11.046 1.972 -99.200 -91.000 TRP 262 1.040 23.167 1.948 -1.670 -99.200 -91.000 TRP6 262 1.020 23.636 2.026 0.663 -99.200 -91.000 PHE 273 1.000 18.289 13.118 -11.526 -99.200 -91.000 HIS 285 0.900 15.576 -4.303 0.356 -99.200 -91.000 TRP 292 1.040 5.510 3.896 -10.058 -99.200 -91.000 TRP6 292 1.020 5.111 2.835 -7.993 -99.200 -91.000 TYR 296 0.840 4.634 8.333 -12.156 -99.200 -91.000 HIS 298 0.900 12.117 16.011 -13.541 -99.200 -91.000 HIS 299 0.900 4.235 14.500 -14.249 -99.200 -91.000 HIS 315 0.900 15.030 5.433 -2.697 -99.200 -91.000 PHE 319 1.000 20.401 5.051 0.728 -99.200 -91.000 TYR 320 0.840 18.302 8.047 6.197 -99.200 -91.000 PHE 336 1.000 30.598 0.188 11.193 -99.200 -91.000 PHE 339 1.000 28.415 -0.293 5.103 -99.200 -91.000 PHE 343 1.000 27.894 5.700 3.423 -99.200 -91.000 TYR 347 0.840 25.989 9.391 0.834 -99.200 -91.000 PHE 348 1.000 30.371 11.756 1.608 -99.200 -91.000