============================================================================= 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 -38.492 -1.870 15.524 -99.200 -91.000 TRP6 23 1.020 -40.181 -0.456 14.667 -99.200 -91.000 TRP 25 1.040 -43.042 -6.007 12.496 -99.200 -91.000 TRP6 25 1.020 -44.360 -4.508 13.763 -99.200 -91.000 PHE 35 1.000 -23.936 -16.783 8.350 -99.200 -91.000 HIS 36 0.900 -29.859 -12.268 10.179 -99.200 -91.000 PHE 37 1.000 -31.145 -17.644 5.362 -99.200 -91.000 TRP 47 1.040 -49.281 -18.873 6.798 -99.200 -91.000 TRP6 47 1.020 -48.641 -19.749 4.698 -99.200 -91.000 HIS 53 0.900 -33.010 -10.886 -2.027 -99.200 -91.000 PHE 67 1.000 -31.789 -5.457 21.580 -99.200 -91.000 PHE 85 1.000 -46.888 -22.478 0.464 -99.200 -91.000 TYR 90 0.840 -36.842 -13.650 -7.363 -99.200 -91.000 PHE 110 1.000 -48.658 -13.675 16.893 -99.200 -91.000 PHE 126 1.000 -49.063 2.337 2.789 -99.200 -91.000 TRP 137 1.040 -30.428 -8.591 14.590 -99.200 -91.000 TRP6 137 1.020 -32.617 -9.480 14.426 -99.200 -91.000 TYR 142 0.840 -19.843 -2.967 0.914 -99.200 -91.000 TYR 165 0.840 -27.905 5.688 -8.247 -99.200 -91.000 TRP 166 1.040 -31.528 2.343 -7.836 -99.200 -91.000 TRP6 166 1.020 -29.491 1.150 -7.988 -99.200 -91.000 TRP 201 1.040 -45.384 0.839 13.856 -99.200 -91.000 TRP6 201 1.020 -44.055 2.470 12.778 -99.200 -91.000 TRP 209 1.040 -33.308 -4.442 -6.276 -99.200 -91.000 TRP6 209 1.020 -32.428 -2.677 -7.591 -99.200 -91.000 TYR 222 0.840 -36.487 -0.839 1.266 -99.200 -91.000 TRP 231 1.040 -48.160 -15.162 -4.594 -99.200 -91.000 TRP6 231 1.020 -46.604 -15.171 -2.812 -99.200 -91.000