============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 22.862 0.800 1.457 -99.200 -91.000 TRP6 9 1.020 22.620 -0.832 3.116 -99.200 -91.000 TYR 10 0.840 25.602 -3.365 -4.722 -99.200 -91.000 PHE 17 1.000 19.803 3.788 -1.302 -99.200 -91.000 TYR 31 0.840 17.046 3.202 -6.651 -99.200 -91.000 TYR 42 0.840 16.642 8.117 -13.392 -99.200 -91.000 TYR 48 0.840 19.920 9.578 9.245 -99.200 -91.000 TRP 63 1.040 15.389 6.051 -1.441 -99.200 -91.000 TRP6 63 1.020 15.665 4.276 0.097 -99.200 -91.000 TRP 67 1.040 11.197 6.734 -11.122 -99.200 -91.000 TRP6 67 1.020 13.190 5.580 -10.650 -99.200 -91.000 TYR 71 0.840 21.968 10.243 -20.478 -99.200 -91.000 HIS 75 0.900 6.643 12.278 -18.844 -99.200 -91.000 TRP 80 1.040 12.499 2.332 -2.875 -99.200 -91.000 TRP6 80 1.020 12.909 3.879 -4.597 -99.200 -91.000 TYR 84 0.840 21.424 0.610 8.938 -99.200 -91.000 TRP 96 1.040 8.970 -0.626 -4.475 -99.200 -91.000 TRP6 96 1.020 7.464 -0.542 -6.293 -99.200 -91.000 TRP 108 1.040 -9.247 4.349 -12.178 -99.200 -91.000 TRP6 108 1.020 -8.877 2.034 -11.996 -99.200 -91.000 HIS 115 0.900 7.866 -7.131 -1.611 -99.200 -91.000 PHE 118 1.000 17.052 -0.900 -1.795 -99.200 -91.000