============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 14.840 18.088 14.102 -99.200 -91.000 TRP6 14 1.020 13.445 19.289 15.587 -99.200 -91.000 TRP 35 1.040 19.673 27.879 2.513 -99.200 -91.000 TRP6 35 1.020 21.504 27.708 1.033 -99.200 -91.000 HIS 41 0.900 31.269 11.219 6.511 -99.200 -91.000 PHE 43 1.000 26.979 15.483 -0.026 -99.200 -91.000 TRP 49 1.040 29.109 15.753 -8.090 -99.200 -91.000 TRP6 49 1.020 29.376 16.199 -5.787 -99.200 -91.000 HIS 59 0.900 8.278 6.699 11.575 -99.200 -91.000 HIS 64 0.900 6.987 5.759 -1.007 -99.200 -91.000 TYR 82 0.840 35.618 16.621 3.772 -99.200 -91.000 HIS 89 0.900 37.693 22.637 9.025 -99.200 -91.000 HIS 97 0.900 15.019 23.306 -8.855 -99.200 -91.000 HIS 105 0.900 3.171 14.313 10.367 -99.200 -91.000 PHE 116 1.000 21.184 29.280 23.189 -99.200 -91.000 PHE 123 1.000 29.869 24.344 29.186 -99.200 -91.000 PHE 126 1.000 22.188 12.177 29.068 -99.200 -91.000 TRP 132 1.040 15.373 6.172 8.242 -99.200 -91.000 TRP6 132 1.020 15.286 8.493 7.842 -99.200 -91.000 TYR 173 0.840 37.798 24.159 13.094 -99.200 -91.000 PHE 175 1.000 29.556 17.649 19.892 -99.200 -91.000 TYR 179 0.840 25.637 6.339 26.665 -99.200 -91.000 HIS 195 0.900 24.880 16.415 19.707 -99.200 -91.000 HIS 198 0.900 13.640 20.550 24.657 -99.200 -91.000 TYR 199 0.840 18.883 26.601 27.632 -99.200 -91.000 TRP 203 1.040 13.755 19.641 20.871 -99.200 -91.000 TRP6 203 1.020 15.077 17.887 21.734 -99.200 -91.000 TYR 204 0.840 18.045 26.601 20.511 -99.200 -91.000 TRP 211 1.040 35.572 11.757 13.327 -99.200 -91.000 TRP6 211 1.020 37.353 10.731 14.488 -99.200 -91.000 HIS 220 0.900 38.138 3.679 20.431 -99.200 -91.000 PHE 221 1.000 33.456 8.467 25.392 -99.200 -91.000 TYR 224 0.840 27.778 12.812 17.438 -99.200 -91.000 TYR 230 0.840 32.517 24.067 10.738 -99.200 -91.000 TRP 233 1.040 31.850 28.090 5.584 -99.200 -91.000 TRP6 233 1.020 30.795 26.061 5.003 -99.200 -91.000 PHE 252 1.000 35.851 27.270 8.987 -99.200 -91.000