============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 4 1.040 -12.850 1.173 -13.167 -99.200 -91.000 TRP6 4 1.020 -10.686 1.755 -12.428 -99.200 -91.000 HIS 13 0.900 -11.010 -10.530 -11.265 -99.200 -91.000 TRP 17 1.040 5.233 -7.717 -7.086 -99.200 -91.000 TRP6 17 1.020 6.913 -7.015 -8.595 -99.200 -91.000 TYR 28 0.840 0.988 -9.498 -19.709 -99.200 -91.000 TYR 29 0.840 2.761 -9.292 -28.098 -99.200 -91.000 TYR 35 0.840 -4.278 6.244 -24.892 -99.200 -91.000 TRP 41 1.040 4.674 3.878 -26.233 -99.200 -91.000 TRP6 41 1.020 2.866 3.272 -24.836 -99.200 -91.000 PHE 45 1.000 -0.611 4.528 -28.635 -99.200 -91.000 PHE 66 1.000 7.352 0.030 -22.126 -99.200 -91.000 PHE 68 1.000 7.800 3.645 -29.705 -99.200 -91.000 PHE 78 1.000 13.092 -2.419 -31.069 -99.200 -91.000 TYR 89 0.840 -8.063 5.872 -8.564 -99.200 -91.000 TYR 91 0.840 -7.723 -0.228 -4.977 -99.200 -91.000 PHE 97 1.000 1.279 -2.289 -14.549 -99.200 -91.000 TYR 99 0.840 3.831 2.216 -17.721 -99.200 -91.000 PHE 107 1.000 4.171 9.134 -19.544 -99.200 -91.000 TYR 113 0.840 -11.350 -8.376 -14.996 -99.200 -91.000 TYR 122 0.840 -9.077 5.964 -15.675 -99.200 -91.000 TYR 133 0.840 -11.109 2.783 -18.781 -99.200 -91.000 TRP 136 1.040 -1.478 -2.798 -21.706 -99.200 -91.000 TRP6 136 1.020 0.657 -2.375 -22.607 -99.200 -91.000 TYR 140 0.840 0.191 -11.475 -31.792 -99.200 -91.000 PHE 151 1.000 -10.674 -1.740 -24.286 -99.200 -91.000 TYR 154 0.840 -14.350 -1.514 -16.023 -99.200 -91.000 PHE 164 1.000 1.905 -6.595 -31.378 -99.200 -91.000