============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 23 1.040 12.825 -36.904 -9.161 -99.200 -91.000 TRP6 23 1.020 14.776 -37.921 -8.292 -99.200 -91.000 TRP 25 1.040 10.644 -42.496 -6.057 -99.200 -91.000 TRP6 25 1.020 12.502 -43.232 -7.320 -99.200 -91.000 PHE 35 1.000 -6.508 -28.638 -2.126 -99.200 -91.000 HIS 36 0.900 -0.098 -32.533 -3.903 -99.200 -91.000 PHE 37 1.000 -4.623 -35.638 0.932 -99.200 -91.000 TRP 47 1.040 0.920 -53.007 -0.226 -99.200 -91.000 TRP6 47 1.020 -0.175 -52.760 1.855 -99.200 -91.000 HIS 53 0.900 2.317 -34.782 8.317 -99.200 -91.000 PHE 67 1.000 7.024 -32.136 -15.257 -99.200 -91.000 PHE 85 1.000 -3.316 -51.930 6.008 -99.200 -91.000 TYR 90 0.840 1.135 -39.220 13.729 -99.200 -91.000 PHE 110 1.000 5.404 -50.284 -10.208 -99.200 -91.000 PHE 126 1.000 20.566 -44.966 3.699 -99.200 -91.000 TRP 137 1.040 3.512 -31.803 -8.377 -99.200 -91.000 TRP6 137 1.020 3.465 -34.162 -8.164 -99.200 -91.000 TYR 142 0.840 5.086 -19.599 5.212 -99.200 -91.000 TYR 165 0.840 15.939 -23.951 14.524 -99.200 -91.000 TRP 166 1.040 14.125 -28.477 14.189 -99.200 -91.000 TRP6 166 1.020 12.254 -27.028 14.268 -99.200 -91.000 TRP 201 1.040 17.834 -42.208 -7.367 -99.200 -91.000 TRP6 201 1.020 18.942 -40.457 -6.228 -99.200 -91.000 TRP 209 1.040 8.473 -32.605 12.634 -99.200 -91.000 TRP6 209 1.020 9.792 -31.120 13.923 -99.200 -91.000 TYR 222 0.840 12.970 -34.388 5.167 -99.200 -91.000 TRP 231 1.040 3.873 -50.385 11.178 -99.200 -91.000 TRP6 231 1.020 3.274 -49.003 9.353 -99.200 -91.000