============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 15 1.040 -13.055 11.854 19.975 -99.200 -91.000 TRP6 15 1.020 -13.141 10.293 18.200 -99.200 -91.000 HIS 19 0.900 -14.325 8.210 21.821 -99.200 -91.000 PHE 21 1.000 -13.921 0.359 24.754 -99.200 -91.000 PHE 23 1.000 -11.831 3.670 16.129 -99.200 -91.000 TRP 40 1.040 -7.886 17.376 15.665 -99.200 -91.000 TRP6 40 1.020 -9.879 16.663 16.691 -99.200 -91.000 TRP 52 1.040 -5.306 -5.700 10.568 -99.200 -91.000 TRP6 52 1.020 -3.533 -4.200 10.120 -99.200 -91.000 PHE 57 1.000 -2.380 -1.232 14.733 -99.200 -91.000 PHE 63 1.000 -8.615 17.889 10.638 -99.200 -91.000 TYR 67 0.840 -12.335 19.692 8.513 -99.200 -91.000 PHE 76 1.000 -2.403 4.000 10.325 -99.200 -91.000 PHE 81 1.000 3.422 -6.172 5.769 -99.200 -91.000 HIS 82 0.900 -3.485 -1.668 4.757 -99.200 -91.000 TYR 86 0.840 1.241 6.339 -1.152 -99.200 -91.000 TRP 102 1.040 -13.442 15.998 2.029 -99.200 -91.000 TRP6 102 1.020 -13.452 15.335 4.300 -99.200 -91.000 TYR 133 0.840 -0.980 -4.696 -4.517 -99.200 -91.000 TYR 136 0.840 -4.541 -8.391 0.909 -99.200 -91.000 TYR 143 0.840 -1.452 -8.552 4.744 -99.200 -91.000 PHE 154 1.000 3.415 -0.277 16.329 -99.200 -91.000