============================================================================= 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 9.904 15.778 5.536 -99.200 -91.000 TRP6 9 1.020 9.080 15.243 3.426 -99.200 -91.000 TYR 10 0.840 5.644 12.105 11.499 -99.200 -91.000 PHE 17 1.000 14.826 14.760 7.644 -99.200 -91.000 TYR 31 0.840 16.169 10.575 11.847 -99.200 -91.000 TYR 42 0.840 20.100 11.061 19.297 -99.200 -91.000 TYR 48 0.840 17.987 22.574 -0.447 -99.200 -91.000 TRP 63 1.040 19.298 13.433 7.403 -99.200 -91.000 TRP6 63 1.020 17.796 12.887 5.699 -99.200 -91.000 TRP 67 1.040 22.883 7.711 15.203 -99.200 -91.000 TRP6 67 1.020 20.644 8.373 15.234 -99.200 -91.000 TYR 71 0.840 17.675 12.987 27.325 -99.200 -91.000 HIS 75 0.900 30.706 5.978 22.125 -99.200 -91.000 TRP 80 1.040 18.614 8.597 6.786 -99.200 -91.000 TRP6 80 1.020 19.481 9.234 8.871 -99.200 -91.000 TYR 84 0.840 10.782 17.501 -1.912 -99.200 -91.000 TRP 96 1.040 19.235 3.693 6.516 -99.200 -91.000 TRP6 96 1.020 20.367 2.097 7.817 -99.200 -91.000 TRP 108 1.040 35.261 -8.056 10.325 -99.200 -91.000 TRP6 108 1.020 33.315 -9.281 9.882 -99.200 -91.000 HIS 115 0.900 15.248 -0.287 1.781 -99.200 -91.000 PHE 118 1.000 13.206 9.753 6.420 -99.200 -91.000