============================================================================= 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 5.781 31.697 -1.484 -99.200 -91.000 TRP6 14 1.020 4.175 32.327 -3.116 -99.200 -91.000 PHE 19 1.000 22.678 29.155 2.165 -99.200 -91.000 TRP 37 1.040 9.850 43.738 7.462 -99.200 -91.000 TRP6 37 1.020 10.941 43.523 9.551 -99.200 -91.000 HIS 43 0.900 12.738 24.976 14.882 -99.200 -91.000 TYR 47 0.840 15.444 23.798 20.262 -99.200 -91.000 TRP 49 1.040 18.840 20.943 14.968 -99.200 -91.000 TRP6 49 1.020 17.602 22.130 13.334 -99.200 -91.000 PHE 53 1.000 23.360 30.174 14.136 -99.200 -91.000 HIS 65 0.900 14.355 24.584 -9.826 -99.200 -91.000 TYR 70 0.840 25.712 32.874 -8.757 -99.200 -91.000 TYR 84 0.840 13.256 43.046 14.622 -99.200 -91.000 HIS 86 0.900 5.294 35.979 20.158 -99.200 -91.000 TYR 89 0.840 11.443 30.098 20.532 -99.200 -91.000 TRP 91 1.040 14.853 28.488 24.346 -99.200 -91.000 TRP6 91 1.020 16.770 27.247 25.008 -99.200 -91.000 PHE 110 1.000 8.901 42.201 -4.100 -99.200 -91.000 TYR 113 0.840 13.091 33.188 -12.561 -99.200 -91.000 HIS 115 0.900 5.096 38.709 -6.471 -99.200 -91.000 TYR 132 0.840 -11.300 23.297 3.677 -99.200 -91.000 TRP 139 1.040 16.574 23.605 -2.026 -99.200 -91.000 TRP6 139 1.020 15.689 25.808 -1.911 -99.200 -91.000 TRP 146 1.040 22.089 7.331 9.310 -99.200 -91.000 TRP6 146 1.020 23.609 5.567 9.714 -99.200 -91.000 PHE 184 1.000 -1.143 24.790 10.490 -99.200 -91.000 TYR 188 0.840 -2.096 12.797 2.199 -99.200 -91.000 PHE 207 1.000 0.052 23.732 5.655 -99.200 -91.000 PHE 213 1.000 -13.151 31.554 0.004 -99.200 -91.000 TRP 217 1.040 -0.363 30.368 -4.544 -99.200 -91.000 TRP6 217 1.020 -0.503 28.066 -4.027 -99.200 -91.000 TYR 218 0.840 -4.299 35.038 1.708 -99.200 -91.000 TRP 225 1.040 6.286 21.003 17.343 -99.200 -91.000 TRP6 225 1.020 5.348 19.024 18.224 -99.200 -91.000 TYR 235 0.840 -1.148 12.776 11.888 -99.200 -91.000 PHE 237 1.000 2.089 18.438 15.982 -99.200 -91.000 TYR 238 0.840 3.411 22.063 8.942 -99.200 -91.000 HIS 240 0.900 -3.457 29.230 13.533 -99.200 -91.000 PHE 242 1.000 -6.049 35.398 12.103 -99.200 -91.000 TRP 247 1.040 6.263 39.526 17.700 -99.200 -91.000 TRP6 247 1.020 7.397 38.315 16.001 -99.200 -91.000 PHE 255 1.000 12.421 47.406 16.117 -99.200 -91.000