============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 13.654 40.926 52.740 -99.200 -91.000 TRP6 14 1.020 14.838 42.843 52.045 -99.200 -91.000 PHE 19 1.000 9.610 29.032 67.805 -99.200 -91.000 TRP 37 1.040 -0.950 44.591 57.119 -99.200 -91.000 TRP6 37 1.020 -2.740 43.045 57.136 -99.200 -91.000 HIS 43 0.900 2.915 25.255 51.831 -99.200 -91.000 TYR 47 0.840 -1.972 20.074 52.458 -99.200 -91.000 TRP 49 1.040 -0.316 16.314 55.073 -99.200 -91.000 TRP6 49 1.020 1.770 17.351 54.723 -99.200 -91.000 PHE 53 1.000 -0.418 25.479 62.730 -99.200 -91.000 HIS 65 0.900 23.220 35.147 60.918 -99.200 -91.000 TYR 70 0.840 14.948 36.033 73.118 -99.200 -91.000 TYR 84 0.840 -7.063 39.371 57.447 -99.200 -91.000 HIS 86 0.900 -6.742 34.291 46.724 -99.200 -91.000 TYR 89 0.840 -4.240 26.935 50.377 -99.200 -91.000 TRP 91 1.040 -7.940 23.348 51.034 -99.200 -91.000 TRP6 91 1.020 -9.008 21.256 51.320 -99.200 -91.000 PHE 110 1.000 9.825 49.056 59.567 -99.200 -91.000 TYR 113 0.840 20.828 43.794 63.788 -99.200 -91.000 HIS 115 0.900 14.047 48.950 55.885 -99.200 -91.000 TYR 132 0.840 16.235 39.156 33.486 -99.200 -91.000 TRP 139 1.040 16.817 30.589 60.126 -99.200 -91.000 TRP6 139 1.020 15.339 32.418 59.957 -99.200 -91.000 PHE 176 1.000 8.416 32.839 40.402 -99.200 -91.000 TYR 180 0.840 21.775 27.485 39.076 -99.200 -91.000 PHE 199 1.000 12.769 33.697 42.898 -99.200 -91.000 PHE 205 1.000 14.776 48.357 35.132 -99.200 -91.000 TRP 209 1.040 17.641 43.623 47.915 -99.200 -91.000 TRP6 209 1.020 18.453 41.630 46.931 -99.200 -91.000 TYR 210 0.840 10.593 46.328 43.649 -99.200 -91.000 TRP 217 1.040 3.743 23.657 44.001 -99.200 -91.000 TRP6 217 1.020 4.259 22.100 42.305 -99.200 -91.000 TYR 227 0.840 13.655 22.730 36.679 -99.200 -91.000 PHE 229 1.000 6.616 24.093 39.684 -99.200 -91.000 TYR 230 0.840 10.523 29.474 44.338 -99.200 -91.000 HIS 232 0.900 3.564 36.140 38.763 -99.200 -91.000 PHE 234 1.000 1.474 42.627 38.839 -99.200 -91.000 TRP 239 1.040 -6.604 37.954 49.020 -99.200 -91.000 TRP6 239 1.020 -4.704 37.373 50.310 -99.200 -91.000 PHE 247 1.000 -10.396 42.527 56.760 -99.200 -91.000