============================================================================= 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 7 0.840 17.292 10.664 17.075 -99.200 -91.000 TYR 11 0.840 24.488 9.944 20.083 -99.200 -91.000 PHE 15 1.000 13.449 18.790 25.370 -99.200 -91.000 TYR 21 0.840 23.308 38.066 19.724 -99.200 -91.000 PHE 26 1.000 24.058 36.998 27.199 -99.200 -91.000 PHE 29 1.000 14.761 31.572 27.970 -99.200 -91.000 PHE 40 1.000 13.137 34.867 23.375 -99.200 -91.000 TRP 48 1.040 22.633 29.379 19.285 -99.200 -91.000 TRP6 48 1.020 24.824 29.484 20.179 -99.200 -91.000 HIS 55 0.900 15.431 12.268 23.055 -99.200 -91.000 PHE 66 1.000 4.814 30.297 17.459 -99.200 -91.000 PHE 67 1.000 10.657 29.614 15.567 -99.200 -91.000 HIS 70 0.900 8.549 24.526 3.277 -99.200 -91.000 HIS 81 0.900 21.757 7.122 8.681 -99.200 -91.000 PHE 88 1.000 20.712 29.532 0.015 -99.200 -91.000 PHE 89 1.000 13.469 24.519 2.266 -99.200 -91.000 TYR 92 0.840 12.607 27.213 5.951 -99.200 -91.000 PHE 94 1.000 17.447 21.647 6.761 -99.200 -91.000 PHE 99 1.000 33.974 13.484 13.501 -99.200 -91.000 TYR 101 0.840 36.358 18.572 21.788 -99.200 -91.000 HIS 104 0.900 43.200 5.782 18.236 -99.200 -91.000 PHE 122 1.000 15.821 22.355 14.810 -99.200 -91.000 PHE 130 1.000 28.051 24.830 17.296 -99.200 -91.000 TYR 139 0.840 31.850 36.446 29.654 -99.200 -91.000 TYR 151 0.840 29.593 38.429 12.418 -99.200 -91.000 TYR 154 0.840 27.155 34.288 6.919 -99.200 -91.000 TYR 164 0.840 34.629 18.838 11.311 -99.200 -91.000 PHE 165 1.000 40.850 24.358 8.627 -99.200 -91.000 HIS 188 0.900 53.673 -0.025 11.307 -99.200 -91.000 TRP 202 1.040 42.731 16.483 2.856 -99.200 -91.000 TRP6 202 1.020 44.145 17.922 4.118 -99.200 -91.000 TYR 212 0.840 41.838 31.785 1.627 -99.200 -91.000