============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 38.035 2.847 16.921 -99.200 -91.000 TYR 18 0.840 44.016 20.328 15.055 -99.200 -91.000 TYR 24 0.840 34.241 25.713 11.394 -99.200 -91.000 TYR 25 0.840 39.671 28.244 17.908 -99.200 -91.000 HIS 31 0.900 35.673 16.072 20.491 -99.200 -91.000 PHE 67 1.000 39.804 7.981 16.469 -99.200 -91.000 TYR 88 0.840 26.897 0.693 9.445 -99.200 -91.000 PHE 104 1.000 35.906 11.392 13.548 -99.200 -91.000 PHE 114 1.000 27.858 14.081 -0.035 -99.200 -91.000 TRP 126 1.040 30.441 -1.589 -5.684 -99.200 -91.000 TRP6 126 1.020 29.324 -1.016 -3.693 -99.200 -91.000 TRP 138 1.040 34.111 14.853 1.752 -99.200 -91.000 TRP6 138 1.020 33.845 12.835 0.577 -99.200 -91.000 TYR 139 0.840 37.406 15.040 -5.477 -99.200 -91.000 PHE 153 1.000 31.477 5.290 0.675 -99.200 -91.000 TRP 158 1.040 40.615 -1.855 4.909 -99.200 -91.000 TRP6 158 1.020 39.658 0.102 5.790 -99.200 -91.000 TYR 161 0.840 42.138 5.389 4.209 -99.200 -91.000