============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 -12.240 54.977 3.542 -99.200 -91.000 PHE 8 1.000 -4.273 50.946 7.882 -99.200 -91.000 TYR 24 0.840 14.704 44.884 18.538 -99.200 -91.000 PHE 30 1.000 13.357 56.575 6.585 -99.200 -91.000 TYR 47 0.840 4.900 50.396 -20.289 -99.200 -91.000 PHE 63 1.000 9.881 66.784 -8.972 -99.200 -91.000 PHE 104 1.000 8.546 41.835 5.876 -99.200 -91.000 PHE 120 1.000 8.709 38.321 1.700 -99.200 -91.000 PHE 124 1.000 2.699 53.575 3.031 -99.200 -91.000 TYR 125 0.840 1.627 49.031 4.860 -99.200 -91.000 PHE 128 1.000 3.301 53.565 10.153 -99.200 -91.000 TYR 146 0.840 -9.791 62.811 -2.759 -99.200 -91.000 TRP 148 1.040 -4.037 56.206 3.388 -99.200 -91.000 TRP6 148 1.020 -2.170 55.705 4.782 -99.200 -91.000 PHE 156 1.000 -7.275 53.637 5.125 -99.200 -91.000 PHE 176 1.000 3.098 64.712 10.367 -99.200 -91.000 TYR 184 0.840 17.177 58.238 9.563 -99.200 -91.000 HIS 197 0.900 21.038 50.844 1.783 -99.200 -91.000 PHE 200 1.000 23.892 50.935 -10.506 -99.200 -91.000 TYR 203 0.840 12.683 58.025 -12.808 -99.200 -91.000