============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 2 0.900 11.129 27.665 -28.752 -99.200 -91.000 TYR 18 0.840 31.436 35.072 -59.611 -99.200 -91.000 PHE 29 1.000 28.193 24.451 -43.394 -99.200 -91.000 TYR 35 0.840 20.614 16.412 -52.153 -99.200 -91.000 PHE 36 1.000 22.432 22.748 -58.265 -99.200 -91.000 TYR 41 0.840 24.893 21.612 -62.591 -99.200 -91.000 PHE 44 1.000 20.505 30.631 -61.589 -99.200 -91.000 PHE 70 1.000 7.509 11.127 -44.263 -99.200 -91.000 PHE 78 1.000 17.116 7.999 -42.512 -99.200 -91.000 TYR 101 0.840 10.576 15.905 -43.266 -99.200 -91.000 PHE 103 1.000 12.781 17.116 -38.624 -99.200 -91.000 PHE 109 1.000 17.971 23.573 -46.476 -99.200 -91.000 PHE 121 1.000 12.805 32.621 -48.408 -99.200 -91.000 PHE 159 1.000 7.039 29.769 -58.909 -99.200 -91.000 TYR 161 0.840 1.012 38.842 -59.351 -99.200 -91.000 TYR 175 0.840 -7.793 41.552 -34.836 -99.200 -91.000 TRP 177 1.040 0.130 34.090 -31.094 -99.200 -91.000 TRP6 177 1.020 2.388 34.644 -31.441 -99.200 -91.000 PHE 179 1.000 -10.907 35.484 -30.754 -99.200 -91.000 HIS 184 0.900 -7.475 33.897 -20.120 -99.200 -91.000 PHE 191 1.000 13.348 40.140 -31.337 -99.200 -91.000 PHE 202 1.000 5.419 43.680 -49.856 -99.200 -91.000 PHE 207 1.000 3.893 47.967 -56.366 -99.200 -91.000 PHE 215 1.000 6.735 44.345 -54.713 -99.200 -91.000 HIS 242 0.900 -0.341 30.909 -43.499 -99.200 -91.000 HIS 246 0.900 -1.591 24.869 -43.847 -99.200 -91.000 PHE 251 1.000 -11.927 21.159 -49.705 -99.200 -91.000 HIS 258 0.900 1.195 28.247 -47.784 -99.200 -91.000 TYR 267 0.840 -10.846 41.164 -49.796 -99.200 -91.000 HIS 272 0.900 -8.856 38.504 -38.102 -99.200 -91.000 HIS 274 0.900 -6.184 44.435 -37.216 -99.200 -91.000 PHE 288 1.000 -2.924 37.588 -54.137 -99.200 -91.000 PHE 289 1.000 -7.733 41.562 -54.027 -99.200 -91.000 TYR 291 0.840 -1.348 34.822 -61.161 -99.200 -91.000 PHE 301 1.000 -10.646 30.415 -51.231 -99.200 -91.000 HIS 309 0.900 -13.666 23.277 -36.846 -99.200 -91.000 TYR 316 0.840 -11.604 30.223 -29.051 -99.200 -91.000 TYR 318 0.840 -11.906 37.286 -34.843 -99.200 -91.000 HIS 320 0.900 -9.627 27.124 -33.995 -99.200 -91.000