============================================================================= 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 3 1.000 88.587 -9.471 33.176 -99.200 -91.000 PHE 10 1.000 83.770 -2.438 26.413 -99.200 -91.000 TYR 14 0.840 83.913 3.384 28.093 -99.200 -91.000 PHE 30 1.000 120.326 11.608 20.231 -99.200 -91.000 TYR 61 0.840 122.484 11.033 35.309 -99.200 -91.000 PHE 79 1.000 104.304 5.526 42.404 -99.200 -91.000 TYR 91 0.840 118.316 -1.733 45.201 -99.200 -91.000 TYR 111 0.840 94.818 4.089 42.042 -99.200 -91.000 TYR 114 0.840 93.026 -3.901 44.698 -99.200 -91.000 TYR 120 0.840 96.738 6.967 38.680 -99.200 -91.000 PHE 126 1.000 108.019 7.159 33.000 -99.200 -91.000 PHE 137 1.000 111.662 0.991 29.095 -99.200 -91.000 TYR 148 0.840 107.091 1.930 21.847 -99.200 -91.000 PHE 163 1.000 107.866 11.987 8.863 -99.200 -91.000 TYR 168 0.840 114.328 5.645 14.578 -99.200 -91.000 TYR 209 0.840 116.605 13.816 29.577 -99.200 -91.000 TYR 212 0.840 117.521 20.726 21.779 -99.200 -91.000 PHE 220 1.000 117.053 21.512 15.551 -99.200 -91.000