============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 30.825 -9.306 -12.983 -99.200 -91.000 TYR 33 0.840 21.956 -14.228 -6.536 -99.200 -91.000 HIS 35 0.900 25.914 -10.683 -1.791 -99.200 -91.000 TRP 36 1.040 26.550 -2.118 -2.134 -99.200 -91.000 TRP6 36 1.020 28.411 -0.736 -2.618 -99.200 -91.000 TRP 47 1.040 25.329 -9.722 3.071 -99.200 -91.000 TRP6 47 1.020 23.078 -9.968 3.787 -99.200 -91.000 TYR 60 0.840 17.968 -3.985 2.083 -99.200 -91.000 PHE 64 1.000 24.341 -2.951 8.288 -99.200 -91.000 TYR 80 0.840 23.646 3.022 -8.794 -99.200 -91.000 HIS 82 0.900 19.886 6.619 0.395 -99.200 -91.000 TYR 93 0.840 29.710 1.613 4.290 -99.200 -91.000 TYR 94 0.840 36.352 -3.605 1.446 -99.200 -91.000 TYR 101 0.840 32.595 -14.576 -16.793 -99.200 -91.000 TYR 102 0.840 33.476 -24.755 -14.029 -99.200 -91.000 HIS 104 0.900 39.155 -17.689 -13.483 -99.200 -91.000 TYR 107 0.840 36.135 -11.300 -10.449 -99.200 -91.000 TRP 108 1.040 35.165 -9.524 -1.877 -99.200 -91.000 TRP6 108 1.020 34.574 -8.884 0.327 -99.200 -91.000 TYR 127 0.840 52.620 21.998 17.963 -99.200 -91.000 TYR 150 0.840 45.642 14.970 11.045 -99.200 -91.000 PHE 151 1.000 37.152 15.764 9.944 -99.200 -91.000 TRP 159 1.040 60.612 11.772 9.433 -99.200 -91.000 TRP6 159 1.020 61.009 13.418 11.081 -99.200 -91.000 HIS 169 0.900 59.214 2.365 13.615 -99.200 -91.000 PHE 171 1.000 54.746 5.328 16.333 -99.200 -91.000 TYR 180 0.840 40.941 11.611 12.107 -99.200 -91.000 TRP 193 1.040 69.808 16.014 13.976 -99.200 -91.000 TRP6 193 1.020 69.456 16.565 16.260 -99.200 -91.000 HIS 204 0.900 44.558 18.183 6.571 -99.200 -91.000