============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 35 1.040 5.038 -10.521 21.361 -99.200 -91.000 TRP6 35 1.020 4.653 -11.742 19.372 -99.200 -91.000 TYR 36 0.840 8.327 -3.142 19.388 -99.200 -91.000 TYR 49 0.840 8.261 -4.001 29.338 -99.200 -91.000 PHE 62 1.000 -3.560 -5.781 21.976 -99.200 -91.000 PHE 71 1.000 10.053 -15.870 23.003 -99.200 -91.000 PHE 83 1.000 -9.631 -7.239 13.050 -99.200 -91.000 TYR 86 0.840 -0.923 -7.082 16.275 -99.200 -91.000 TYR 87 0.840 6.394 -5.547 11.643 -99.200 -91.000 TYR 91 0.840 14.466 -6.923 24.731 -99.200 -91.000 TRP 94 1.040 26.565 -6.573 25.125 -99.200 -91.000 TRP6 94 1.020 25.203 -4.666 24.834 -99.200 -91.000 TYR 97 0.840 19.412 -5.462 21.063 -99.200 -91.000 PHE 99 1.000 12.369 -4.410 15.057 -99.200 -91.000 PHE 117 1.000 -16.938 -0.959 -12.626 -99.200 -91.000 PHE 119 1.000 -12.051 3.009 -15.424 -99.200 -91.000 PHE 140 1.000 -10.601 -7.824 -4.567 -99.200 -91.000 TYR 141 0.840 -12.366 -11.454 3.224 -99.200 -91.000 TRP 149 1.040 -3.822 -6.474 -17.709 -99.200 -91.000 TRP6 149 1.020 -5.232 -4.769 -18.553 -99.200 -91.000 TYR 174 0.840 -8.303 -7.003 1.666 -99.200 -91.000 TYR 187 0.840 -4.398 1.984 -26.931 -99.200 -91.000 HIS 190 0.900 -1.004 -4.915 -30.398 -99.200 -91.000 TYR 193 0.840 -5.373 -2.692 -26.334 -99.200 -91.000 HIS 199 0.900 -12.818 -12.963 -5.162 -99.200 -91.000 PHE 210 1.000 -10.101 -0.694 -24.364 -99.200 -91.000