============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 7 1.000 18.197 20.428 3.943 -99.200 -91.000 HIS 10 0.900 16.620 15.596 -7.127 -99.200 -91.000 TYR 21 0.840 28.334 18.488 6.383 -99.200 -91.000 HIS 32 0.900 8.524 24.599 12.045 -99.200 -91.000 TYR 36 0.840 18.150 26.179 8.337 -99.200 -91.000 TYR 53 0.840 14.583 26.564 -2.172 -99.200 -91.000 TYR 56 0.840 12.630 16.141 -4.103 -99.200 -91.000 PHE 64 1.000 17.594 11.624 -4.850 -99.200 -91.000 PHE 71 1.000 4.751 12.967 6.784 -99.200 -91.000 TYR 80 0.840 9.312 8.788 4.507 -99.200 -91.000 TRP 81 1.040 18.483 8.557 7.912 -99.200 -91.000 TRP6 81 1.020 19.175 8.544 5.647 -99.200 -91.000 TYR 90 0.840 20.362 14.289 -1.658 -99.200 -91.000 TYR 91 0.840 19.093 22.685 -1.553 -99.200 -91.000