============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 1 0.840 5.438 32.898 6.692 -99.200 -91.000 PHE 4 1.000 12.965 28.656 6.916 -99.200 -91.000 PHE 8 1.000 14.269 26.295 2.720 -99.200 -91.000 TYR 26 0.840 13.652 17.413 -5.294 -99.200 -91.000 PHE 29 1.000 10.069 27.677 -3.376 -99.200 -91.000 TYR 38 0.840 1.819 29.902 -9.046 -99.200 -91.000 TYR 40 0.840 7.790 23.031 -15.268 -99.200 -91.000 HIS 47 0.900 6.659 14.684 -7.189 -99.200 -91.000 PHE 61 1.000 8.891 26.312 1.434 -99.200 -91.000 PHE 72 1.000 15.998 14.826 19.031 -99.200 -91.000 PHE 79 1.000 3.274 28.172 4.387 -99.200 -91.000 TRP 93 1.040 1.748 25.733 -17.774 -99.200 -91.000 TRP6 93 1.020 3.527 25.538 -19.307 -99.200 -91.000 PHE 100 1.000 8.636 26.637 -11.366 -99.200 -91.000 PHE 104 1.000 14.534 26.528 -9.883 -99.200 -91.000 PHE 117 1.000 8.798 18.193 -15.458 -99.200 -91.000 PHE 120 1.000 -0.288 19.476 -10.133 -99.200 -91.000 PHE 129 1.000 9.987 30.455 10.658 -99.200 -91.000 PHE 133 1.000 15.898 22.418 21.545 -99.200 -91.000