============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 57 0.840 12.388 -2.459 4.094 -99.200 -91.000 HIS 61 0.900 20.036 7.367 -7.039 -99.200 -91.000 TYR 71 0.840 14.048 11.987 -6.283 -99.200 -91.000 PHE 95 1.000 16.581 15.402 -1.488 -99.200 -91.000 TYR 100 0.840 9.096 25.025 2.899 -99.200 -91.000 HIS 110 0.900 9.745 9.760 17.274 -99.200 -91.000 TRP 113 1.040 12.862 15.438 16.457 -99.200 -91.000 TRP6 113 1.020 13.184 13.275 17.362 -99.200 -91.000 TRP 129 1.040 4.577 8.889 18.354 -99.200 -91.000 TRP6 129 1.020 5.769 8.464 20.334 -99.200 -91.000 TRP 143 1.040 2.719 19.368 17.560 -99.200 -91.000 TRP6 143 1.020 1.198 18.216 18.969 -99.200 -91.000 PHE 166 1.000 1.889 10.507 5.861 -99.200 -91.000 PHE 174 1.000 3.922 12.902 -2.008 -99.200 -91.000 HIS 179 0.900 1.696 22.361 -2.568 -99.200 -91.000