============================================================================= 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 3 1.040 48.256 22.437 8.061 -99.200 -91.000 TRP6 3 1.020 50.198 21.100 8.224 -99.200 -91.000 PHE 5 1.000 42.519 21.174 17.384 -99.200 -91.000 HIS 17 0.900 39.648 4.629 14.439 -99.200 -91.000 PHE 22 1.000 34.920 12.491 4.971 -99.200 -91.000 TYR 25 0.840 31.783 13.449 21.007 -99.200 -91.000 TYR 28 0.840 29.647 24.712 22.532 -99.200 -91.000 HIS 48 0.900 40.486 24.634 19.653 -99.200 -91.000 TYR 52 0.840 41.316 28.389 17.582 -99.200 -91.000 PHE 63 1.000 44.210 35.141 15.010 -99.200 -91.000 TYR 69 0.840 39.656 26.003 13.902 -99.200 -91.000 TYR 73 0.840 50.025 25.823 15.458 -99.200 -91.000 TYR 75 0.840 52.717 20.569 15.024 -99.200 -91.000 PHE 94 1.000 45.443 33.121 23.615 -99.200 -91.000 PHE 106 1.000 39.885 17.594 21.304 -99.200 -91.000 TYR 111 0.840 33.968 8.457 20.064 -99.200 -91.000 HIS 115 0.900 27.145 12.408 24.320 -99.200 -91.000 TYR 123 0.840 18.810 14.994 22.165 -99.200 -91.000