============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 20.262 -2.343 21.343 -99.200 -91.000 PHE 29 1.000 18.891 -6.618 26.965 -99.200 -91.000 TRP 36 1.040 7.824 -7.861 25.591 -99.200 -91.000 TRP6 36 1.020 8.603 -9.566 24.165 -99.200 -91.000 TRP 47 1.040 3.141 -0.395 24.861 -99.200 -91.000 TRP6 47 1.020 2.927 0.071 27.164 -99.200 -91.000 TRP 50 1.040 8.131 0.830 29.448 -99.200 -91.000 TRP6 50 1.020 10.369 1.390 29.918 -99.200 -91.000 HIS 54 0.900 20.912 0.954 35.065 -99.200 -91.000 TYR 60 0.840 4.061 -6.469 33.288 -99.200 -91.000 PHE 64 1.000 -2.494 -6.565 26.374 -99.200 -91.000 PHE 68 1.000 -0.866 -11.090 27.668 -99.200 -91.000 PHE 70 1.000 6.197 -6.761 29.579 -99.200 -91.000 PHE 80 1.000 14.043 -15.015 27.787 -99.200 -91.000 TYR 93 0.840 1.132 -12.126 21.515 -99.200 -91.000 PHE 94 1.000 5.317 -7.671 14.946 -99.200 -91.000 TYR 99 0.840 18.831 5.402 22.524 -99.200 -91.000 TYR 100 0.840 18.225 9.015 26.165 -99.200 -91.000 PHE 102 1.000 15.118 7.591 18.231 -99.200 -91.000 PHE 107 1.000 17.312 0.161 14.486 -99.200 -91.000 TRP 108 1.040 8.689 -1.895 15.509 -99.200 -91.000 TRP6 108 1.020 6.513 -2.411 16.249 -99.200 -91.000 TYR 127 0.840 -8.835 -31.198 -3.787 -99.200 -91.000 TYR 150 0.840 -4.607 -24.161 4.875 -99.200 -91.000 PHE 151 1.000 -6.630 -24.524 12.962 -99.200 -91.000 TRP 159 1.040 1.289 -20.095 -9.336 -99.200 -91.000 TRP6 159 1.020 -0.157 -21.805 -10.075 -99.200 -91.000 HIS 169 0.900 -4.048 -11.592 -9.671 -99.200 -91.000 PHE 171 1.000 -7.334 -14.542 -5.486 -99.200 -91.000 TYR 180 0.840 -7.127 -20.631 8.705 -99.200 -91.000 TRP 193 1.040 -1.179 -25.346 -18.999 -99.200 -91.000 TRP6 193 1.020 -3.453 -25.843 -19.389 -99.200 -91.000 HIS 204 0.900 -0.561 -27.087 7.206 -99.200 -91.000