============================================================================= 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 14 1.040 8.723 6.323 18.532 -99.200 -91.000 TRP6 14 1.020 7.372 8.115 19.317 -99.200 -91.000 PHE 19 1.000 12.687 -5.623 3.414 -99.200 -91.000 TRP 37 1.040 23.131 10.212 14.117 -99.200 -91.000 TRP6 37 1.020 24.966 8.755 14.136 -99.200 -91.000 HIS 43 0.900 19.781 -9.042 19.689 -99.200 -91.000 TYR 47 0.840 24.182 -14.290 19.000 -99.200 -91.000 TRP 49 1.040 22.353 -17.935 16.691 -99.200 -91.000 TRP6 49 1.020 20.458 -16.610 17.105 -99.200 -91.000 PHE 53 1.000 22.493 -9.551 8.671 -99.200 -91.000 HIS 65 0.900 -0.759 0.722 10.455 -99.200 -91.000 TYR 70 0.840 7.360 1.385 -1.892 -99.200 -91.000 TYR 84 0.840 29.450 4.988 13.902 -99.200 -91.000 HIS 86 0.900 29.390 0.059 24.618 -99.200 -91.000 TYR 89 0.840 26.843 -7.455 21.014 -99.200 -91.000 TRP 91 1.040 30.369 -11.070 20.404 -99.200 -91.000 TRP6 91 1.020 31.377 -13.223 20.091 -99.200 -91.000 PHE 110 1.000 12.299 14.614 11.534 -99.200 -91.000 TYR 113 0.840 1.312 9.307 7.518 -99.200 -91.000 HIS 115 0.900 8.080 14.505 15.454 -99.200 -91.000 TYR 132 0.840 6.263 4.587 37.897 -99.200 -91.000 TRP 139 1.040 5.501 -3.960 11.245 -99.200 -91.000 TRP6 139 1.020 7.072 -2.197 11.392 -99.200 -91.000 TRP 146 1.040 5.120 -19.420 14.102 -99.200 -91.000 TRP6 146 1.020 5.484 -18.092 12.163 -99.200 -91.000 PHE 178 1.000 14.056 -1.470 30.931 -99.200 -91.000 TYR 182 0.840 0.652 -7.072 32.211 -99.200 -91.000 PHE 201 1.000 9.580 -0.565 28.371 -99.200 -91.000 PHE 207 1.000 7.499 14.225 35.836 -99.200 -91.000 TRP 211 1.040 4.447 9.337 23.407 -99.200 -91.000 TRP6 211 1.020 3.675 7.329 24.399 -99.200 -91.000 TYR 212 0.840 11.511 12.024 27.701 -99.200 -91.000 TRP 219 1.040 18.856 -10.761 27.393 -99.200 -91.000 TRP6 219 1.020 18.236 -12.204 29.124 -99.200 -91.000 TYR 229 0.840 9.034 -11.762 34.769 -99.200 -91.000 PHE 231 1.000 15.814 -10.402 31.602 -99.200 -91.000 TYR 232 0.840 12.011 -4.877 27.097 -99.200 -91.000 HIS 234 0.900 18.873 1.711 32.483 -99.200 -91.000 PHE 236 1.000 20.599 8.401 32.344 -99.200 -91.000 TRP 241 1.040 29.095 3.886 22.362 -99.200 -91.000 TRP6 241 1.020 27.234 3.159 21.063 -99.200 -91.000 PHE 249 1.000 32.662 8.274 14.998 -99.200 -91.000