============================================================================= 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 22 1.040 -38.409 -1.739 15.305 -99.200 -91.000 TRP6 22 1.020 -40.093 -0.334 14.418 -99.200 -91.000 TRP 24 1.040 -42.996 -5.720 12.316 -99.200 -91.000 TRP6 24 1.020 -44.378 -4.259 13.556 -99.200 -91.000 PHE 34 1.000 -24.056 -16.768 8.070 -99.200 -91.000 HIS 35 0.900 -29.934 -12.213 9.970 -99.200 -91.000 PHE 36 1.000 -31.228 -17.585 5.174 -99.200 -91.000 TRP 46 1.040 -49.403 -18.680 6.600 -99.200 -91.000 TRP6 46 1.020 -48.829 -19.579 4.488 -99.200 -91.000 HIS 52 0.900 -33.107 -10.838 -2.345 -99.200 -91.000 PHE 66 1.000 -31.809 -5.226 21.362 -99.200 -91.000 PHE 84 1.000 -47.027 -22.335 0.423 -99.200 -91.000 TYR 89 0.840 -36.823 -13.610 -7.696 -99.200 -91.000 PHE 109 1.000 -48.758 -13.206 16.758 -99.200 -91.000 PHE 125 1.000 -49.040 2.655 2.480 -99.200 -91.000 TRP 136 1.040 -30.492 -8.466 14.371 -99.200 -91.000 TRP6 136 1.020 -32.679 -9.367 14.217 -99.200 -91.000 TYR 141 0.840 -19.340 -2.639 0.253 -99.200 -91.000 TYR 164 0.840 -27.988 5.870 -8.729 -99.200 -91.000 TRP 165 1.040 -31.512 2.364 -8.256 -99.200 -91.000 TRP6 165 1.020 -29.446 1.229 -8.477 -99.200 -91.000 TRP 200 1.040 -45.316 1.140 13.590 -99.200 -91.000 TRP6 200 1.020 -43.929 2.717 12.508 -99.200 -91.000 TRP 208 1.040 -33.384 -4.315 -6.723 -99.200 -91.000 TRP6 208 1.020 -32.481 -2.597 -8.087 -99.200 -91.000 TYR 221 0.840 -36.697 -0.708 0.928 -99.200 -91.000 TRP 230 1.040 -48.202 -14.923 -4.745 -99.200 -91.000 TRP6 230 1.020 -46.689 -14.856 -2.928 -99.200 -91.000