============================================================================= 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. TRP 14 1.040 -0.257 22.860 12.592 -99.200 -91.000 TRP6 14 1.020 1.533 21.764 13.686 -99.200 -91.000 TYR 36 0.840 11.474 3.924 19.279 -99.200 -91.000 TYR 42 0.840 19.084 6.968 9.105 -99.200 -91.000 PHE 43 1.000 19.487 12.546 13.276 -99.200 -91.000 HIS 45 0.900 25.068 14.265 9.642 -99.200 -91.000 TRP 46 1.040 23.575 16.357 13.482 -99.200 -91.000 TRP6 46 1.020 21.572 16.159 14.724 -99.200 -91.000 HIS 59 0.900 16.503 16.450 12.148 -99.200 -91.000 HIS 88 0.900 13.802 13.487 4.667 -99.200 -91.000 TYR 90 0.840 17.031 10.127 -5.959 -99.200 -91.000 PHE 99 1.000 10.616 8.834 6.594 -99.200 -91.000 HIS 104 0.900 4.816 5.098 19.832 -99.200 -91.000 PHE 114 1.000 -0.522 21.172 23.091 -99.200 -91.000 PHE 118 1.000 -3.063 12.425 20.361 -99.200 -91.000 HIS 123 0.900 -3.882 7.871 18.902 -99.200 -91.000 PHE 129 1.000 -0.900 15.307 8.688 -99.200 -91.000 TYR 141 0.840 12.778 6.990 1.009 -99.200 -91.000