============================================================================= 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. TYR 27 0.840 21.861 4.711 -16.658 -99.200 -91.000 PHE 29 1.000 24.384 9.756 -12.406 -99.200 -91.000 TRP 33 1.040 16.449 15.038 -18.832 -99.200 -91.000 TRP6 33 1.020 16.331 17.084 -17.651 -99.200 -91.000 TRP 36 1.040 15.008 12.109 -7.221 -99.200 -91.000 TRP6 36 1.020 15.706 10.539 -5.594 -99.200 -91.000 TRP 47 1.040 7.910 14.575 -11.732 -99.200 -91.000 TRP6 47 1.020 7.884 16.879 -12.273 -99.200 -91.000 TYR 52 0.840 20.901 15.541 -19.308 -99.200 -91.000 HIS 59 0.900 12.579 21.418 -16.429 -99.200 -91.000 TYR 60 0.840 13.552 21.030 -7.642 -99.200 -91.000 PHE 64 1.000 6.634 16.101 -3.605 -99.200 -91.000 TYR 80 0.840 23.834 12.196 -2.960 -99.200 -91.000 TRP 83 1.040 12.348 16.173 2.288 -99.200 -91.000 TRP6 83 1.020 13.121 14.164 1.313 -99.200 -91.000 TYR 93 0.840 9.958 10.682 -0.474 -99.200 -91.000 PHE 94 1.000 8.847 3.440 -5.689 -99.200 -91.000 TYR 99 0.840 16.707 4.152 -23.476 -99.200 -91.000 PHE 101 1.000 12.125 3.781 -24.900 -99.200 -91.000 PHE 109 1.000 10.228 9.320 -15.715 -99.200 -91.000 TRP 112 1.040 10.178 3.066 -12.750 -99.200 -91.000 TRP6 112 1.020 8.949 4.760 -11.654 -99.200 -91.000 PHE 131 1.000 -5.255 -5.052 25.606 -99.200 -91.000 TYR 154 0.840 2.524 -3.046 16.150 -99.200 -91.000 PHE 155 1.000 6.934 4.641 15.256 -99.200 -91.000 TRP 163 1.040 -1.901 -17.745 16.751 -99.200 -91.000 TRP6 163 1.020 -3.419 -17.211 18.483 -99.200 -91.000 HIS 173 0.900 -5.244 -13.721 7.099 -99.200 -91.000 PHE 175 1.000 -7.251 -10.221 9.562 -99.200 -91.000 TYR 185 0.840 2.548 1.573 12.158 -99.200 -91.000 TYR 203 0.840 -6.867 -23.081 20.319 -99.200 -91.000 HIS 209 0.900 7.698 -3.331 18.435 -99.200 -91.000