============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 12 1.000 23.262 58.596 -9.763 -99.200 -91.000 PHE 19 1.000 29.136 65.321 -10.934 -99.200 -91.000 TYR 22 0.840 35.126 62.832 0.873 -99.200 -91.000 TYR 31 0.840 28.430 59.356 -7.545 -99.200 -91.000 PHE 44 1.000 39.316 43.854 5.089 -99.200 -91.000 PHE 59 1.000 37.139 56.277 17.006 -99.200 -91.000 TYR 64 0.840 36.404 57.558 -1.127 -99.200 -91.000 PHE 70 1.000 29.669 55.193 7.354 -99.200 -91.000 HIS 78 0.900 28.531 41.874 7.577 -99.200 -91.000 TYR 80 0.840 26.493 52.934 8.070 -99.200 -91.000 HIS 86 0.900 36.222 65.731 16.929 -99.200 -91.000 PHE 110 1.000 38.251 51.725 19.251 -99.200 -91.000 TYR 135 0.840 30.623 41.835 -2.361 -99.200 -91.000 HIS 139 0.900 26.577 37.961 1.655 -99.200 -91.000 TYR 147 0.840 21.826 51.575 4.276 -99.200 -91.000 TYR 148 0.840 21.203 54.971 9.794 -99.200 -91.000 PHE 151 1.000 24.515 52.914 20.159 -99.200 -91.000 HIS 163 0.900 18.472 49.415 1.311 -99.200 -91.000 PHE 169 1.000 15.592 61.601 5.252 -99.200 -91.000 TRP 172 1.040 8.783 63.918 2.768 -99.200 -91.000 TRP6 172 1.020 10.205 64.667 4.490 -99.200 -91.000 PHE 179 1.000 13.932 68.510 3.166 -99.200 -91.000 TYR 193 0.840 29.705 60.424 7.337 -99.200 -91.000 PHE 195 1.000 22.799 65.334 14.878 -99.200 -91.000 TYR 201 0.840 26.436 64.969 5.293 -99.200 -91.000 TRP 202 1.040 24.529 59.092 4.699 -99.200 -91.000 TRP6 202 1.020 23.592 57.260 3.517 -99.200 -91.000 PHE 213 1.000 31.822 70.213 -2.765 -99.200 -91.000 PHE 223 1.000 34.182 77.322 17.308 -99.200 -91.000 PHE 227 1.000 31.533 78.954 11.076 -99.200 -91.000 TRP 238 1.040 24.769 75.621 6.502 -99.200 -91.000 TRP6 238 1.020 26.810 76.784 6.665 -99.200 -91.000 PHE 244 1.000 28.560 74.615 11.574 -99.200 -91.000 PHE 254 1.000 26.449 81.734 7.085 -99.200 -91.000 HIS 264 0.900 17.911 74.876 -2.467 -99.200 -91.000 PHE 265 1.000 21.813 78.941 4.448 -99.200 -91.000 TYR 266 0.840 18.022 71.025 1.985 -99.200 -91.000 PHE 267 1.000 19.277 76.213 9.061 -99.200 -91.000 PHE 281 1.000 14.521 84.391 4.754 -99.200 -91.000 PHE 284 1.000 24.499 83.012 2.663 -99.200 -91.000 TYR 293 0.840 9.535 67.126 15.088 -99.200 -91.000 TYR 315 0.840 3.604 82.053 11.217 -99.200 -91.000 TYR 322 0.840 2.844 72.091 4.237 -99.200 -91.000 TYR 330 0.840 -2.782 59.805 13.029 -99.200 -91.000 TYR 358 0.840 14.909 53.360 21.754 -99.200 -91.000 PHE 369 1.000 10.575 52.576 18.838 -99.200 -91.000 PHE 370 1.000 1.834 54.338 20.301 -99.200 -91.000 PHE 372 1.000 -2.903 56.234 16.778 -99.200 -91.000 TYR 378 0.840 9.997 57.653 19.034 -99.200 -91.000 HIS 379 0.900 3.787 56.960 23.051 -99.200 -91.000 TYR 394 0.840 9.505 71.512 19.383 -99.200 -91.000 PHE 400 1.000 14.520 69.972 27.998 -99.200 -91.000 TYR 404 0.840 7.151 79.801 38.993 -99.200 -91.000 TYR 407 0.840 -1.145 79.744 34.993 -99.200 -91.000 TYR 433 0.840 13.884 71.538 38.838 -99.200 -91.000 HIS 437 0.900 13.305 67.678 40.772 -99.200 -91.000 TYR 445 0.840 22.116 79.709 31.706 -99.200 -91.000 PHE 456 1.000 20.691 99.039 26.978 -99.200 -91.000 HIS 473 0.900 6.015 89.297 23.235 -99.200 -91.000 TYR 477 0.840 1.701 82.295 34.078 -99.200 -91.000 PHE 483 1.000 16.250 88.541 31.483 -99.200 -91.000 TYR 485 0.840 22.384 90.086 30.472 -99.200 -91.000