============================================================================= 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 41.630 15.374 7.279 -99.200 -91.000 TRP6 9 1.020 42.282 13.402 8.393 -99.200 -91.000 TYR 10 0.840 45.513 16.877 0.171 -99.200 -91.000 PHE 17 1.000 36.858 16.051 4.979 -99.200 -91.000 TYR 31 0.840 35.535 15.973 -1.118 -99.200 -91.000 TYR 42 0.840 31.708 21.317 -6.156 -99.200 -91.000 TYR 48 0.840 33.433 16.140 16.105 -99.200 -91.000 TRP 63 1.040 32.376 14.822 4.233 -99.200 -91.000 TRP6 63 1.020 33.815 13.195 5.129 -99.200 -91.000 TRP 67 1.040 29.021 16.057 -5.545 -99.200 -91.000 TRP6 67 1.020 31.245 16.487 -4.945 -99.200 -91.000 TYR 71 0.840 33.045 29.525 -10.010 -99.200 -91.000 HIS 75 0.900 21.188 19.748 -11.847 -99.200 -91.000 TRP 80 1.040 33.120 10.879 1.150 -99.200 -91.000 TRP6 80 1.020 32.277 12.826 0.114 -99.200 -91.000 TYR 84 0.840 40.784 11.404 14.001 -99.200 -91.000 TRP 96 1.040 32.556 7.195 -1.976 -99.200 -91.000 TRP6 96 1.020 31.416 6.924 -4.030 -99.200 -91.000 TRP 108 1.040 16.660 1.440 -12.906 -99.200 -91.000 TRP6 108 1.020 18.506 0.005 -13.165 -99.200 -91.000 HIS 115 0.900 36.363 1.068 -1.423 -99.200 -91.000 PHE 118 1.000 38.487 11.535 2.400 -99.200 -91.000