============================================================================= 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 46.334 33.875 -11.151 -99.200 -91.000 TRP6 14 1.020 47.251 32.542 -9.431 -99.200 -91.000 PHE 19 1.000 45.312 38.197 -29.296 -99.200 -91.000 TRP 37 1.040 31.788 29.933 -14.903 -99.200 -91.000 TRP6 37 1.020 30.202 31.395 -15.873 -99.200 -91.000 HIS 43 0.900 37.930 48.927 -18.844 -99.200 -91.000 TYR 47 0.840 34.099 53.664 -22.368 -99.200 -91.000 TRP 49 1.040 36.317 55.288 -26.344 -99.200 -91.000 TRP6 49 1.020 38.112 54.293 -25.173 -99.200 -91.000 PHE 53 1.000 35.511 44.320 -28.730 -99.200 -91.000 HIS 65 0.900 57.090 33.953 -19.727 -99.200 -91.000 TYR 70 0.840 50.288 28.394 -31.426 -99.200 -91.000 TYR 84 0.840 26.586 34.819 -18.372 -99.200 -91.000 HIS 86 0.900 26.874 44.532 -11.224 -99.200 -91.000 TYR 89 0.840 30.383 48.754 -17.526 -99.200 -91.000 TRP 91 1.040 27.640 52.332 -20.233 -99.200 -91.000 TRP6 91 1.020 27.190 54.210 -21.596 -99.200 -91.000 PHE 110 1.000 41.765 23.940 -13.690 -99.200 -91.000 TYR 113 0.840 53.858 25.463 -18.100 -99.200 -91.000 HIS 115 0.900 45.794 25.273 -9.960 -99.200 -91.000 TYR 132 0.840 48.046 44.798 5.273 -99.200 -91.000 TRP 139 1.040 51.662 39.077 -21.912 -99.200 -91.000 TRP6 139 1.020 50.038 37.610 -21.017 -99.200 -91.000 PHE 177 1.000 41.565 47.349 -4.761 -99.200 -91.000 TYR 181 0.840 55.452 51.491 -4.687 -99.200 -91.000 PHE 200 1.000 46.026 44.823 -5.961 -99.200 -91.000 PHE 206 1.000 45.944 35.110 8.558 -99.200 -91.000 TRP 210 1.040 49.614 33.300 -4.948 -99.200 -91.000 TRP6 210 1.020 50.797 35.348 -4.909 -99.200 -91.000 TYR 211 0.840 42.189 33.815 -0.957 -99.200 -91.000 TRP 218 1.040 38.544 53.944 -12.835 -99.200 -91.000 TRP6 218 1.020 39.240 56.058 -12.030 -99.200 -91.000 TYR 228 0.840 47.941 57.546 -5.316 -99.200 -91.000 PHE 230 1.000 41.204 55.469 -8.473 -99.200 -91.000 TYR 231 0.840 44.421 48.087 -9.472 -99.200 -91.000 HIS 233 0.900 36.087 45.645 -2.366 -99.200 -91.000 PHE 235 1.000 33.429 39.871 0.393 -99.200 -91.000 TRP 240 1.040 26.416 39.984 -11.589 -99.200 -91.000 TRP6 240 1.020 28.376 39.868 -12.910 -99.200 -91.000 PHE 248 1.000 22.902 32.487 -16.816 -99.200 -91.000