============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 4 0.840 -34.649 66.506 17.885 -99.200 -91.000 PHE 7 1.000 -31.358 54.222 15.313 -99.200 -91.000 TYR 31 0.840 2.221 54.341 11.923 -99.200 -91.000 TYR 48 0.840 -7.514 60.856 16.943 -99.200 -91.000 PHE 74 1.000 -4.793 53.308 3.330 -99.200 -91.000 TRP 82 1.040 4.833 48.211 10.419 -99.200 -91.000 TRP6 82 1.020 3.793 49.428 12.172 -99.200 -91.000 TYR 92 0.840 -8.478 51.626 16.384 -99.200 -91.000 PHE 97 1.000 -1.437 43.253 16.916 -99.200 -91.000 TRP 99 1.040 -7.024 36.503 11.843 -99.200 -91.000 TRP6 99 1.020 -7.633 34.215 12.000 -99.200 -91.000 HIS 103 0.900 -2.370 38.013 21.264 -99.200 -91.000 HIS 131 0.900 -15.605 29.999 16.368 -99.200 -91.000 HIS 134 0.900 -12.921 22.697 17.940 -99.200 -91.000 TRP 142 1.040 -16.184 15.282 8.491 -99.200 -91.000 TRP6 142 1.020 -18.261 15.105 7.377 -99.200 -91.000 PHE 146 1.000 -11.550 18.105 10.238 -99.200 -91.000 TYR 155 0.840 -3.927 40.564 26.585 -99.200 -91.000 PHE 156 1.000 -4.429 45.549 33.868 -99.200 -91.000 TRP 169 1.040 -13.722 47.175 27.384 -99.200 -91.000 TRP6 169 1.020 -12.067 48.753 26.736 -99.200 -91.000 HIS 170 0.900 -14.400 38.740 27.373 -99.200 -91.000 TYR 173 0.840 -19.659 44.472 21.639 -99.200 -91.000 HIS 175 0.900 -23.560 41.069 16.858 -99.200 -91.000 TRP 185 1.040 -20.765 36.709 11.527 -99.200 -91.000 TRP6 185 1.020 -21.482 38.829 10.739 -99.200 -91.000 TYR 194 0.840 -12.751 23.648 12.293 -99.200 -91.000 PHE 206 1.000 -17.215 20.223 8.636 -99.200 -91.000 TYR 210 0.840 -21.054 24.923 11.941 -99.200 -91.000 TYR 218 0.840 -25.773 29.815 18.725 -99.200 -91.000 PHE 229 1.000 -20.766 38.066 16.585 -99.200 -91.000 PHE 233 1.000 -13.584 45.924 23.030 -99.200 -91.000