============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 -4.184 -7.453 68.414 -99.200 -91.000 PHE 29 1.000 -1.461 -2.681 64.641 -99.200 -91.000 TYR 32 0.840 -2.432 -5.481 73.109 -99.200 -91.000 TYR 33 0.840 5.383 -1.184 74.319 -99.200 -91.000 TRP 36 1.040 8.327 -7.572 62.910 -99.200 -91.000 TRP6 36 1.020 7.320 -9.179 61.507 -99.200 -91.000 TRP 47 1.040 12.574 -8.490 70.782 -99.200 -91.000 TRP6 47 1.020 13.896 -6.545 70.959 -99.200 -91.000 PHE 50 1.000 10.091 -2.433 72.127 -99.200 -91.000 TYR 58 0.840 1.409 4.698 67.152 -99.200 -91.000 TYR 62 0.840 14.818 -0.779 64.823 -99.200 -91.000 PHE 70 1.000 16.720 -7.725 59.405 -99.200 -91.000 TYR 82 0.840 3.423 -2.978 56.451 -99.200 -91.000 TYR 96 0.840 13.265 -13.201 59.500 -99.200 -91.000 TYR 97 0.840 7.975 -18.000 64.670 -99.200 -91.000 TYR 106 0.840 -8.387 0.825 77.823 -99.200 -91.000 TYR 109 0.840 2.352 -4.064 81.991 -99.200 -91.000 PHE 112 1.000 7.246 -11.073 72.973 -99.200 -91.000 TYR 114 0.840 -3.581 -14.002 71.772 -99.200 -91.000 TRP 115 1.040 4.522 -16.120 70.331 -99.200 -91.000 TRP6 115 1.020 6.858 -15.827 70.162 -99.200 -91.000 TYR 134 0.840 8.305 -38.377 41.027 -99.200 -91.000 TYR 152 0.840 11.002 -29.372 48.832 -99.200 -91.000 PHE 153 1.000 16.915 -23.480 47.363 -99.200 -91.000 TRP 161 1.040 -0.938 -38.023 54.121 -99.200 -91.000 TRP6 161 1.020 -0.700 -39.550 52.336 -99.200 -91.000 TYR 163 0.840 -8.288 -32.456 49.419 -99.200 -91.000 PHE 181 1.000 16.961 -28.715 42.350 -99.200 -91.000 TYR 182 0.840 16.331 -27.820 51.306 -99.200 -91.000 TRP 195 1.040 -5.337 -47.190 49.026 -99.200 -91.000 TRP6 195 1.020 -3.686 -48.658 48.194 -99.200 -91.000 HIS 206 0.900 8.225 -24.575 46.924 -99.200 -91.000