============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 6 1.000 22.076 21.738 5.256 -99.200 -91.000 TRP 15 1.040 22.716 18.062 10.195 -99.200 -91.000 TRP6 15 1.020 23.423 17.314 8.069 -99.200 -91.000 TYR 19 0.840 30.314 11.611 12.069 -99.200 -91.000 HIS 24 0.900 25.908 -0.101 12.058 -99.200 -91.000 PHE 29 1.000 38.441 -2.856 3.265 -99.200 -91.000 TYR 45 0.840 47.166 12.134 16.312 -99.200 -91.000 PHE 51 1.000 40.995 1.082 6.086 -99.200 -91.000 HIS 53 0.900 42.173 -1.164 0.437 -99.200 -91.000 HIS 59 0.900 58.261 4.070 -5.541 -99.200 -91.000 TYR 65 0.840 53.479 2.734 8.180 -99.200 -91.000 TYR 80 0.840 40.873 14.008 -3.719 -99.200 -91.000 HIS 93 0.900 60.528 7.968 6.663 -99.200 -91.000 PHE 94 1.000 54.549 15.588 3.286 -99.200 -91.000 TRP 95 1.040 59.146 17.464 2.089 -99.200 -91.000 TRP6 95 1.020 57.619 18.634 0.718 -99.200 -91.000 TRP 99 1.040 61.398 12.445 -6.974 -99.200 -91.000 TRP6 99 1.020 62.110 14.565 -7.750 -99.200 -91.000 TYR 123 0.840 55.000 19.647 5.810 -99.200 -91.000 TRP 124 1.040 56.555 25.280 5.140 -99.200 -91.000 TRP6 124 1.020 55.039 24.491 6.775 -99.200 -91.000 PHE 134 1.000 63.439 17.209 4.184 -99.200 -91.000 TYR 151 0.840 40.594 32.234 4.122 -99.200 -91.000 TYR 152 0.840 44.167 31.681 0.698 -99.200 -91.000 HIS 172 0.900 52.711 23.892 2.502 -99.200 -91.000 PHE 173 1.000 47.738 25.340 -3.581 -99.200 -91.000 HIS 174 0.900 49.820 26.362 6.845 -99.200 -91.000 TYR 175 0.840 40.970 27.127 5.399 -99.200 -91.000 TRP 178 1.040 38.746 23.030 8.988 -99.200 -91.000 TRP6 178 1.020 38.567 22.231 6.775 -99.200 -91.000 PHE 181 1.000 38.975 16.030 16.776 -99.200 -91.000 PHE 190 1.000 36.093 23.454 1.675 -99.200 -91.000 PHE 193 1.000 43.047 26.112 1.110 -99.200 -91.000 PHE 195 1.000 35.601 26.704 -7.085 -99.200 -91.000 HIS 207 0.900 50.526 18.497 -12.390 -99.200 -91.000 HIS 213 0.900 49.790 18.107 6.260 -99.200 -91.000 PHE 224 1.000 40.985 20.319 -0.180 -99.200 -91.000 PHE 255 1.000 39.626 3.699 -2.256 -99.200 -91.000 PHE 268 1.000 32.157 24.146 5.788 -99.200 -91.000 TYR 270 0.840 24.590 16.392 3.219 -99.200 -91.000 PHE 279 1.000 32.931 28.436 -10.840 -99.200 -91.000 TRP 290 1.040 31.668 31.226 -3.227 -99.200 -91.000 TRP6 290 1.020 32.328 29.562 -4.771 -99.200 -91.000 HIS 295 0.900 35.207 39.174 5.406 -99.200 -91.000