============================================================================= 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 8.529 6.400 18.481 -99.200 -91.000 TRP6 14 1.020 7.201 8.212 19.228 -99.200 -91.000 PHE 19 1.000 12.515 -5.436 3.314 -99.200 -91.000 TRP 37 1.040 23.062 10.382 14.040 -99.200 -91.000 TRP6 37 1.020 24.898 8.882 14.001 -99.200 -91.000 HIS 43 0.900 19.642 -9.085 19.603 -99.200 -91.000 TYR 47 0.840 24.116 -14.192 18.911 -99.200 -91.000 TRP 49 1.040 22.233 -18.166 16.471 -99.200 -91.000 TRP6 49 1.020 20.263 -16.958 17.001 -99.200 -91.000 PHE 53 1.000 22.350 -9.418 8.483 -99.200 -91.000 HIS 65 0.900 -1.040 0.699 10.162 -99.200 -91.000 TYR 70 0.840 7.276 1.700 -2.138 -99.200 -91.000 TYR 84 0.840 29.372 5.154 13.744 -99.200 -91.000 HIS 86 0.900 29.162 0.149 24.500 -99.200 -91.000 TYR 89 0.840 26.650 -7.368 20.843 -99.200 -91.000 TRP 91 1.040 30.254 -10.986 20.208 -99.200 -91.000 TRP6 91 1.020 31.233 -13.124 19.846 -99.200 -91.000 PHE 110 1.000 12.253 14.765 11.628 -99.200 -91.000 TYR 113 0.840 1.213 9.387 7.502 -99.200 -91.000 HIS 115 0.900 7.973 14.573 15.373 -99.200 -91.000 TYR 132 0.840 5.916 4.656 37.941 -99.200 -91.000 TRP 139 1.040 5.456 -3.794 11.118 -99.200 -91.000 TRP6 139 1.020 7.078 -2.072 11.291 -99.200 -91.000 TRP 146 1.040 6.291 -18.895 11.869 -99.200 -91.000 TRP6 146 1.020 5.702 -19.143 9.592 -99.200 -91.000 PHE 178 1.000 13.941 -1.435 30.839 -99.200 -91.000 TYR 182 0.840 0.568 -7.010 32.139 -99.200 -91.000 PHE 201 1.000 9.456 -0.554 28.282 -99.200 -91.000 PHE 207 1.000 7.191 14.181 35.941 -99.200 -91.000 TRP 211 1.040 4.402 9.347 23.357 -99.200 -91.000 TRP6 211 1.020 3.671 7.304 24.313 -99.200 -91.000 TYR 212 0.840 11.425 12.116 27.563 -99.200 -91.000 TRP 219 1.040 18.544 -10.677 26.991 -99.200 -91.000 TRP6 219 1.020 18.045 -12.286 28.660 -99.200 -91.000 TYR 229 0.840 8.801 -11.664 34.617 -99.200 -91.000 PHE 231 1.000 15.794 -10.222 31.416 -99.200 -91.000 TYR 232 0.840 11.867 -4.763 26.945 -99.200 -91.000 HIS 234 0.900 18.681 1.905 32.445 -99.200 -91.000 PHE 236 1.000 20.519 8.484 32.344 -99.200 -91.000 TRP 241 1.040 28.926 3.924 22.278 -99.200 -91.000 TRP6 241 1.020 27.124 3.244 20.888 -99.200 -91.000 PHE 249 1.000 32.767 8.442 14.189 -99.200 -91.000