============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 21 1.040 54.315 15.730 -13.627 -99.200 -91.000 TRP6 21 1.020 52.375 16.183 -14.924 -99.200 -91.000 HIS 23 0.900 50.910 10.052 -5.359 -99.200 -91.000 TRP 51 1.040 43.554 7.708 0.544 -99.200 -91.000 TRP6 51 1.020 43.508 8.568 2.747 -99.200 -91.000 PHE 67 1.000 55.055 11.554 -15.943 -99.200 -91.000 HIS 78 0.900 52.737 8.586 7.863 -99.200 -91.000 HIS 80 0.900 49.344 6.577 10.576 -99.200 -91.000 HIS 98 0.900 63.966 2.335 -2.381 -99.200 -91.000 TYR 112 0.840 48.724 -1.040 6.225 -99.200 -91.000 PHE 127 1.000 65.449 6.801 -6.968 -99.200 -91.000 PHE 135 1.000 66.580 15.566 8.617 -99.200 -91.000 TYR 136 0.840 63.356 9.894 12.857 -99.200 -91.000 HIS 141 0.900 50.947 11.845 10.918 -99.200 -91.000 TRP 149 1.040 66.268 19.105 0.141 -99.200 -91.000 TRP6 149 1.020 65.174 21.204 0.177 -99.200 -91.000 TYR 153 0.840 63.581 19.767 -9.806 -99.200 -91.000 TYR 177 0.840 55.885 9.305 19.681 -99.200 -91.000 TRP 181 1.040 54.381 17.696 14.419 -99.200 -91.000 TRP6 181 1.020 52.199 16.798 14.192 -99.200 -91.000 TYR 192 0.840 65.941 19.651 4.054 -99.200 -91.000 HIS 202 0.900 45.986 14.156 4.455 -99.200 -91.000 HIS 213 0.900 48.761 27.020 9.522 -99.200 -91.000