============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 1 1.000 -6.708 -34.384 -33.019 -99.200 -91.000 TYR 10 0.840 -11.419 -13.534 -32.833 -99.200 -91.000 TRP 29 1.040 4.731 -17.545 -12.234 -99.200 -91.000 TRP6 29 1.020 4.769 -16.056 -10.397 -99.200 -91.000 TRP 35 1.040 -5.912 -7.755 -13.687 -99.200 -91.000 TRP6 35 1.020 -6.565 -6.566 -11.746 -99.200 -91.000 PHE 39 1.000 -11.968 -12.937 -19.361 -99.200 -91.000 PHE 48 1.000 -10.544 -24.136 -20.942 -99.200 -91.000 PHE 60 1.000 -14.533 -28.918 2.657 -99.200 -91.000 TYR 65 0.840 -19.207 -20.357 8.385 -99.200 -91.000 PHE 68 1.000 -22.890 -17.634 5.540 -99.200 -91.000 PHE 72 1.000 -20.920 -21.508 -3.260 -99.200 -91.000 HIS 79 0.900 -23.827 -14.122 -12.131 -99.200 -91.000 PHE 80 1.000 -17.874 -22.442 -10.995 -99.200 -91.000 HIS 84 0.900 -17.685 -24.317 -20.603 -99.200 -91.000 HIS 87 0.900 -20.363 -34.353 -9.511 -99.200 -91.000 TYR 88 0.840 -22.970 -26.387 -8.234 -99.200 -91.000 TYR 89 0.840 -17.499 -33.410 -6.606 -99.200 -91.000 PHE 91 1.000 -16.064 -32.355 0.240 -99.200 -91.000 TYR 117 0.840 -11.620 -31.807 12.632 -99.200 -91.000 TRP 120 1.040 -12.649 -19.757 14.268 -99.200 -91.000 TRP6 120 1.020 -11.052 -18.835 12.787 -99.200 -91.000 PHE 137 1.000 -12.929 -34.233 -5.476 -99.200 -91.000 TYR 143 0.840 -9.173 -27.685 -16.039 -99.200 -91.000 PHE 153 1.000 -19.833 -18.119 -7.875 -99.200 -91.000 HIS 156 0.900 -17.768 -15.413 -17.493 -99.200 -91.000 PHE 166 1.000 -8.177 -21.287 -10.006 -99.200 -91.000 HIS 170 0.900 -6.918 -11.341 1.680 -99.200 -91.000 PHE 173 1.000 -3.168 -8.617 3.357 -99.200 -91.000 TYR 174 0.840 -6.096 -4.538 -4.836 -99.200 -91.000 PHE 181 1.000 2.186 -9.656 -0.170 -99.200 -91.000 TYR 183 0.840 3.708 -14.215 2.090 -99.200 -91.000 TYR 192 0.840 10.571 -18.134 8.025 -99.200 -91.000 PHE 200 1.000 1.398 -11.714 -7.678 -99.200 -91.000 TYR 201 0.840 -1.900 -13.357 2.566 -99.200 -91.000 TYR 202 0.840 -0.719 -16.579 -4.856 -99.200 -91.000 PHE 206 1.000 -12.345 -18.602 -7.309 -99.200 -91.000 PHE 207 1.000 -7.395 -24.192 -2.684 -99.200 -91.000 HIS 222 0.900 -3.791 -33.851 6.209 -99.200 -91.000 TRP 237 1.040 -3.961 -14.450 8.898 -99.200 -91.000 TRP6 237 1.020 -6.090 -14.105 9.873 -99.200 -91.000 HIS 238 0.900 -6.289 -20.138 11.359 -99.200 -91.000 HIS 242 0.900 0.553 -24.857 6.735 -99.200 -91.000 TYR 246 0.840 1.826 -26.787 -3.567 -99.200 -91.000 HIS 250 0.900 5.395 -26.727 -4.925 -99.200 -91.000 TYR 260 0.840 -12.082 -14.022 -11.851 -99.200 -91.000 TRP 262 1.040 -14.179 -5.939 -3.830 -99.200 -91.000 TRP6 262 1.020 -11.905 -5.307 -3.950 -99.200 -91.000 TRP 269 1.040 -17.084 -1.761 -8.432 -99.200 -91.000 TRP6 269 1.020 -19.275 -2.399 -9.074 -99.200 -91.000 PHE 278 1.000 -17.009 -16.867 -4.903 -99.200 -91.000