============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 3 1.000 30.692 31.945 23.984 -99.200 -91.000 PHE 18 1.000 37.355 36.910 25.376 -99.200 -91.000 TYR 36 0.840 18.105 39.782 15.822 -99.200 -91.000 HIS 40 0.900 27.211 36.572 32.017 -99.200 -91.000 PHE 49 1.000 37.610 19.864 30.776 -99.200 -91.000 HIS 62 0.900 21.399 29.170 25.976 -99.200 -91.000 TYR 75 0.840 27.884 28.192 15.575 -99.200 -91.000 TYR 95 0.840 33.629 19.160 28.785 -99.200 -91.000 TYR 98 0.840 27.999 24.567 20.378 -99.200 -91.000 TYR 99 0.840 21.863 24.705 26.209 -99.200 -91.000 TRP 108 1.040 14.778 41.883 22.437 -99.200 -91.000 TRP6 108 1.020 13.676 42.889 20.602 -99.200 -91.000 PHE 113 1.000 13.951 36.922 19.297 -99.200 -91.000