============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 5 1.040 1.730 18.134 -4.401 -99.200 -91.000 TRP6 5 1.020 2.320 15.880 -4.022 -99.200 -91.000 TRP 14 1.040 13.733 21.681 -12.686 -99.200 -91.000 TRP6 14 1.020 14.920 22.619 -10.874 -99.200 -91.000 PHE 19 1.000 1.125 25.085 -27.088 -99.200 -91.000 TRP 37 1.040 22.432 22.861 -25.721 -99.200 -91.000 TRP6 37 1.020 22.075 21.632 -27.716 -99.200 -91.000 HIS 43 0.900 7.432 8.576 -25.775 -99.200 -91.000 TYR 47 0.840 5.853 5.484 -30.367 -99.200 -91.000 TRP 49 1.040 1.125 6.399 -29.836 -99.200 -91.000 TRP6 49 1.020 2.101 7.047 -27.779 -99.200 -91.000 PHE 53 1.000 5.053 16.561 -33.522 -99.200 -91.000 HIS 65 0.900 1.121 27.471 -11.216 -99.200 -91.000 TYR 70 0.840 1.026 35.539 -23.943 -99.200 -91.000 TYR 84 0.840 21.393 18.470 -32.575 -99.200 -91.000 HIS 86 0.900 21.460 7.512 -27.889 -99.200 -91.000 TYR 89 0.840 13.235 6.758 -30.259 -99.200 -91.000 TRP 91 1.040 10.153 4.730 -35.229 -99.200 -91.000 TRP6 91 1.020 8.491 3.396 -36.263 -99.200 -91.000 PHE 110 1.000 19.384 30.553 -17.145 -99.200 -91.000 TYR 113 0.840 8.058 33.414 -11.486 -99.200 -91.000 HIS 115 0.900 18.618 28.861 -11.815 -99.200 -91.000 TYR 133 0.840 17.950 6.532 -1.080 -99.200 -91.000 TRP 140 1.040 1.403 22.130 -17.330 -99.200 -91.000 TRP6 140 1.020 3.680 22.490 -17.935 -99.200 -91.000 TRP 147 1.040 -14.411 3.479 -21.570 -99.200 -91.000 TRP6 147 1.020 -13.481 1.299 -21.597 -99.200 -91.000 PHE 179 1.000 14.975 6.313 -13.000 -99.200 -91.000 PHE 183 1.000 3.987 6.332 -3.861 -99.200 -91.000 PHE 202 1.000 12.452 9.862 -10.399 -99.200 -91.000 PHE 208 1.000 25.083 13.182 -0.041 -99.200 -91.000 TRP 212 1.040 15.521 20.779 -6.227 -99.200 -91.000 TRP6 212 1.020 13.803 19.217 -5.774 -99.200 -91.000 TYR 213 0.840 22.878 17.030 -8.561 -99.200 -91.000 TYR 230 0.840 6.353 -1.490 -9.799 -99.200 -91.000 PHE 232 1.000 8.230 0.131 -17.549 -99.200 -91.000 TYR 233 0.840 9.848 7.737 -14.399 -99.200 -91.000 HIS 235 0.900 20.437 5.419 -14.946 -99.200 -91.000 PHE 237 1.000 26.594 8.719 -14.885 -99.200 -91.000 TRP 242 1.040 23.267 11.588 -28.219 -99.200 -91.000 TRP6 242 1.020 21.337 12.676 -27.399 -99.200 -91.000 PHE 250 1.000 25.743 18.887 -33.967 -99.200 -91.000