============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 14 1.000 48.571 -12.780 -4.004 -99.200 -91.000 PHE 30 1.000 61.340 -8.653 -3.590 -99.200 -91.000 PHE 35 1.000 58.780 -0.364 -1.495 -99.200 -91.000 TYR 45 0.840 42.523 -4.744 -9.212 -99.200 -91.000 HIS 51 0.900 38.396 8.095 -2.321 -99.200 -91.000 PHE 58 1.000 34.930 11.090 20.397 -99.200 -91.000 TYR 68 0.840 49.537 -1.081 21.482 -99.200 -91.000 TYR 81 0.840 41.459 15.743 24.112 -99.200 -91.000 PHE 98 1.000 38.544 24.900 6.104 -99.200 -91.000 TYR 112 0.840 30.147 12.268 29.080 -99.200 -91.000 TYR 113 0.840 32.524 11.553 24.488 -99.200 -91.000 TRP 139 1.040 33.263 0.800 22.850 -99.200 -91.000 TRP6 139 1.020 33.204 1.329 25.151 -99.200 -91.000 TYR 143 0.840 27.596 0.160 24.564 -99.200 -91.000 TYR 144 0.840 31.321 -2.615 17.876 -99.200 -91.000 TRP 147 1.040 27.568 3.855 18.688 -99.200 -91.000 TRP6 147 1.020 29.543 2.856 19.511 -99.200 -91.000 TYR 155 0.840 34.049 0.731 15.341 -99.200 -91.000 HIS 159 0.900 45.187 -7.562 12.081 -99.200 -91.000 HIS 167 0.900 45.293 -8.614 19.949 -99.200 -91.000 PHE 176 1.000 43.385 -12.792 16.264 -99.200 -91.000 TYR 190 0.840 29.328 -0.346 11.950 -99.200 -91.000 PHE 214 1.000 42.834 -11.152 11.137 -99.200 -91.000 HIS 218 0.900 38.871 -13.134 9.083 -99.200 -91.000 PHE 220 1.000 39.369 -7.579 8.332 -99.200 -91.000 PHE 228 1.000 56.508 0.054 19.687 -99.200 -91.000 HIS 231 0.900 53.739 8.309 25.002 -99.200 -91.000 PHE 244 1.000 58.807 4.986 5.317 -99.200 -91.000 TRP 292 1.040 38.440 19.611 10.975 -99.200 -91.000 TRP6 292 1.020 39.513 21.067 9.449 -99.200 -91.000 TYR 297 0.840 39.809 20.245 23.571 -99.200 -91.000 TYR 301 0.840 43.825 10.657 20.015 -99.200 -91.000 TYR 304 0.840 51.850 7.961 16.488 -99.200 -91.000 PHE 311 1.000 54.839 22.123 18.363 -99.200 -91.000 TRP 336 1.040 29.469 10.260 1.022 -99.200 -91.000 TRP6 336 1.020 27.702 9.149 2.107 -99.200 -91.000 PHE 343 1.000 31.525 -8.420 -6.740 -99.200 -91.000