============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 26 1.000 52.594 -18.179 37.294 -99.200 -91.000 TYR 31 0.840 50.693 -21.627 39.679 -99.200 -91.000 TYR 32 0.840 41.820 -23.862 41.615 -99.200 -91.000 TYR 34 0.840 42.807 -18.579 44.531 -99.200 -91.000 TRP 35 1.040 41.004 -11.595 39.076 -99.200 -91.000 TRP6 35 1.020 42.386 -9.893 38.197 -99.200 -91.000 TRP 46 1.040 40.199 -14.778 47.907 -99.200 -91.000 TRP6 46 1.020 41.929 -13.901 49.275 -99.200 -91.000 TRP 49 1.040 37.311 -19.999 42.714 -99.200 -91.000 TRP6 49 1.020 37.066 -21.707 41.097 -99.200 -91.000 TYR 59 0.840 32.589 -14.743 38.531 -99.200 -91.000 PHE 63 1.000 32.934 -8.273 44.829 -99.200 -91.000 TYR 79 0.840 42.207 -10.333 29.577 -99.200 -91.000 TYR 92 0.840 39.033 -4.042 41.956 -99.200 -91.000 TYR 93 0.840 47.024 -5.588 45.577 -99.200 -91.000 TYR 105 0.840 54.444 -17.993 41.904 -99.200 -91.000 TRP 106 1.040 49.575 -12.644 46.567 -99.200 -91.000 TRP6 106 1.020 47.566 -11.562 47.184 -99.200 -91.000 TYR 125 0.840 53.373 25.318 41.715 -99.200 -91.000 TYR 145 0.840 48.308 14.347 41.318 -99.200 -91.000 PHE 146 1.000 40.534 12.665 39.545 -99.200 -91.000 TRP 154 1.040 63.378 13.647 44.706 -99.200 -91.000 TRP6 154 1.020 63.326 16.006 44.566 -99.200 -91.000 HIS 164 0.900 61.621 10.470 54.416 -99.200 -91.000 PHE 166 1.000 56.411 13.811 53.110 -99.200 -91.000 TYR 175 0.840 43.860 12.121 44.298 -99.200 -91.000 TRP 188 1.040 70.803 22.441 45.521 -99.200 -91.000 TRP6 188 1.020 69.999 24.121 46.976 -99.200 -91.000 HIS 199 0.900 48.747 12.817 36.148 -99.200 -91.000