============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 27 1.000 17.178 -25.918 -32.352 -99.200 -91.000 TYR 32 0.840 15.200 -30.717 -32.530 -99.200 -91.000 HIS 35 0.900 5.084 -26.658 -29.118 -99.200 -91.000 TRP 36 1.040 5.764 -18.690 -32.461 -99.200 -91.000 TRP6 36 1.020 7.301 -16.975 -31.994 -99.200 -91.000 TRP 47 1.040 0.819 -24.218 -27.650 -99.200 -91.000 TRP6 47 1.020 -0.837 -24.588 -29.279 -99.200 -91.000 TYR 50 0.840 1.150 -27.993 -32.375 -99.200 -91.000 TYR 52 0.840 5.205 -30.768 -34.375 -99.200 -91.000 TYR 57 0.840 -0.272 -31.734 -37.440 -99.200 -91.000 TYR 60 0.840 -2.357 -21.534 -36.598 -99.200 -91.000 PHE 68 1.000 -1.803 -14.195 -33.275 -99.200 -91.000 TYR 80 0.840 10.292 -16.186 -40.476 -99.200 -91.000 TYR 94 0.840 2.656 -12.761 -28.529 -99.200 -91.000 TYR 95 0.840 8.436 -16.116 -22.669 -99.200 -91.000 PHE 101 1.000 8.473 -34.842 -33.434 -99.200 -91.000 TRP 106 1.040 5.352 -37.973 -28.771 -99.200 -91.000 TRP6 106 1.020 3.534 -39.325 -29.395 -99.200 -91.000 TYR 107 0.840 1.410 -32.705 -28.468 -99.200 -91.000 TYR 111 0.840 17.465 -26.752 -24.618 -99.200 -91.000 TRP 112 1.040 10.173 -22.830 -22.535 -99.200 -91.000 TRP6 112 1.020 8.015 -21.957 -22.440 -99.200 -91.000 PHE 131 1.000 17.485 13.001 -16.739 -99.200 -91.000 TYR 147 0.840 10.790 3.187 -20.398 -99.200 -91.000 PHE 148 1.000 3.493 3.306 -24.695 -99.200 -91.000 TRP 156 1.040 24.221 -0.946 -13.149 -99.200 -91.000 TRP6 156 1.020 24.766 1.269 -12.568 -99.200 -91.000 HIS 166 0.900 18.343 -5.078 -5.224 -99.200 -91.000 PHE 168 1.000 14.048 -0.435 -7.373 -99.200 -91.000 TYR 178 0.840 5.245 1.737 -19.208 -99.200 -91.000 TYR 196 0.840 31.357 1.607 -9.289 -99.200 -91.000 HIS 202 0.900 12.400 2.371 -25.575 -99.200 -91.000 HIS 217 0.900 37.510 25.129 -6.863 -99.200 -91.000