============================================================================= 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. TYR 30 0.840 38.897 18.261 -8.948 -99.200 -91.000 TYR 36 0.840 35.662 19.929 -4.551 -99.200 -91.000 TRP 39 1.040 24.850 27.673 -1.065 -99.200 -91.000 TRP6 39 1.020 24.026 29.694 -2.004 -99.200 -91.000 PHE 40 1.000 31.580 30.465 3.714 -99.200 -91.000 TYR 53 0.840 31.548 20.265 3.909 -99.200 -91.000 PHE 66 1.000 19.878 27.550 7.101 -99.200 -91.000 PHE 75 1.000 26.828 26.037 -8.353 -99.200 -91.000 TYR 90 0.840 21.268 33.169 4.135 -99.200 -91.000 TYR 91 0.840 28.529 37.395 1.734 -99.200 -91.000 PHE 95 1.000 38.438 25.386 -1.149 -99.200 -91.000 TYR 98 0.840 44.834 30.557 -4.426 -99.200 -91.000 PHE 100 1.000 40.567 27.831 -3.544 -99.200 -91.000 PHE 102 1.000 34.584 34.117 0.070 -99.200 -91.000 PHE 122 1.000 16.544 60.919 23.830 -99.200 -91.000 PHE 139 1.000 18.457 57.360 20.128 -99.200 -91.000 PHE 143 1.000 11.940 52.204 11.203 -99.200 -91.000 TYR 144 0.840 8.826 44.715 7.832 -99.200 -91.000 TRP 152 1.040 16.244 66.371 12.417 -99.200 -91.000 TRP6 152 1.020 16.197 66.388 14.780 -99.200 -91.000 TRP 167 1.040 18.320 54.770 7.689 -99.200 -91.000 TRP6 167 1.020 19.955 56.161 6.685 -99.200 -91.000 TYR 177 0.840 14.493 46.782 8.470 -99.200 -91.000 TYR 190 0.840 19.978 73.825 21.619 -99.200 -91.000 HIS 193 0.900 16.703 79.255 15.203 -99.200 -91.000 TYR 196 0.840 16.285 73.336 18.367 -99.200 -91.000 HIS 202 0.900 6.789 52.809 9.124 -99.200 -91.000 PHE 213 1.000 14.648 69.884 22.177 -99.200 -91.000