============================================================================= 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 5 1.000 5.527 11.538 -33.540 -99.200 -91.000 PHE 21 1.000 -2.052 6.916 -33.192 -99.200 -91.000 HIS 23 0.900 -5.668 16.575 -28.725 -99.200 -91.000 TYR 32 0.840 1.813 12.761 -36.012 -99.200 -91.000 PHE 39 1.000 9.337 11.945 -37.404 -99.200 -91.000 TYR 47 0.840 14.325 10.914 -35.669 -99.200 -91.000 TYR 48 0.840 11.450 4.255 -27.556 -99.200 -91.000 PHE 49 1.000 9.649 7.056 -34.954 -99.200 -91.000 TYR 51 0.840 1.964 0.657 -30.526 -99.200 -91.000 HIS 52 0.900 2.326 3.599 -23.747 -99.200 -91.000 PHE 76 1.000 5.655 -3.799 -31.375 -99.200 -91.000 TYR 79 0.840 -4.853 -11.985 -31.033 -99.200 -91.000 TYR 81 0.840 -14.070 -14.286 -25.018 -99.200 -91.000 PHE 84 1.000 -13.708 -1.691 -22.230 -99.200 -91.000 PHE 102 1.000 2.937 4.348 -42.665 -99.200 -91.000 PHE 121 1.000 3.391 6.962 -34.236 -99.200 -91.000 PHE 124 1.000 12.159 9.941 -27.161 -99.200 -91.000 PHE 127 1.000 22.253 9.603 -28.923 -99.200 -91.000