============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 -10.469 -12.119 25.860 -99.200 -91.000 PHE 8 1.000 -7.056 0.911 28.461 -99.200 -91.000 TRP 31 1.040 -7.534 23.078 27.344 -99.200 -91.000 TRP6 31 1.020 -9.675 23.629 28.161 -99.200 -91.000 TYR 37 0.840 -0.061 19.052 23.368 -99.200 -91.000 HIS 41 0.900 -4.481 17.691 8.626 -99.200 -91.000 TYR 49 0.840 2.205 21.385 6.965 -99.200 -91.000 HIS 59 0.900 -4.878 38.114 17.309 -99.200 -91.000 PHE 61 1.000 -3.597 28.775 14.909 -99.200 -91.000 HIS 75 0.900 1.061 31.262 16.351 -99.200 -91.000 TYR 96 0.840 -0.480 15.158 30.065 -99.200 -91.000 PHE 98 1.000 1.666 14.431 25.211 -99.200 -91.000 PHE 107 1.000 -3.799 3.179 18.938 -99.200 -91.000 TYR 113 0.840 -16.270 12.402 13.234 -99.200 -91.000 TYR 121 0.840 -12.191 3.070 16.507 -99.200 -91.000 HIS 129 0.900 5.701 0.722 10.968 -99.200 -91.000 PHE 135 1.000 -9.870 7.654 13.037 -99.200 -91.000 PHE 145 1.000 -8.180 6.588 25.596 -99.200 -91.000 TYR 149 0.840 -1.883 1.228 38.745 -99.200 -91.000 PHE 154 1.000 -3.972 11.864 26.205 -99.200 -91.000 TYR 156 0.840 -3.426 7.416 15.374 -99.200 -91.000 HIS 158 0.900 -7.031 9.772 11.516 -99.200 -91.000 HIS 159 0.900 -1.168 14.322 12.151 -99.200 -91.000 HIS 167 0.900 -8.635 5.342 8.930 -99.200 -91.000 PHE 176 1.000 2.229 11.546 9.781 -99.200 -91.000 TYR 177 0.840 2.863 5.925 16.300 -99.200 -91.000 PHE 180 1.000 2.188 5.413 6.070 -99.200 -91.000 TRP 202 1.040 -8.316 -14.446 20.871 -99.200 -91.000 TRP6 202 1.020 -8.598 -16.213 19.368 -99.200 -91.000 TYR 204 0.840 0.230 -18.588 26.487 -99.200 -91.000 TRP 213 1.040 -11.041 -26.127 20.427 -99.200 -91.000 TRP6 213 1.020 -9.945 -26.198 18.319 -99.200 -91.000 PHE 214 1.000 -6.385 -23.381 21.763 -99.200 -91.000 PHE 218 1.000 3.110 -34.470 19.274 -99.200 -91.000 PHE 225 1.000 5.117 -19.791 15.360 -99.200 -91.000 TYR 232 0.840 -0.161 -21.455 6.941 -99.200 -91.000 TYR 234 0.840 -0.336 -15.984 11.972 -99.200 -91.000 HIS 241 0.900 7.702 -10.423 18.856 -99.200 -91.000 PHE 286 1.000 -8.989 -9.389 22.270 -99.200 -91.000 PHE 289 1.000 2.358 -6.031 27.921 -99.200 -91.000 PHE 300 1.000 -8.203 0.627 33.437 -99.200 -91.000