============================================================================= 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 8.443 6.094 18.292 -99.200 -91.000 TRP6 14 1.020 7.169 7.943 19.028 -99.200 -91.000 PHE 19 1.000 12.711 -5.596 2.814 -99.200 -91.000 TRP 37 1.040 23.062 10.086 13.959 -99.200 -91.000 TRP6 37 1.020 24.890 8.589 13.913 -99.200 -91.000 HIS 43 0.900 19.324 -9.059 19.258 -99.200 -91.000 TYR 47 0.840 23.721 -14.493 18.680 -99.200 -91.000 TRP 49 1.040 22.010 -18.550 16.302 -99.200 -91.000 TRP6 49 1.020 19.712 -18.019 16.444 -99.200 -91.000 PHE 53 1.000 22.229 -9.582 8.455 -99.200 -91.000 HIS 65 0.900 -1.012 0.426 9.946 -99.200 -91.000 TYR 70 0.840 7.290 1.483 -2.176 -99.200 -91.000 TYR 84 0.840 29.070 4.948 13.556 -99.200 -91.000 HIS 86 0.900 28.897 -0.284 24.386 -99.200 -91.000 TYR 89 0.840 26.442 -7.608 20.743 -99.200 -91.000 TRP 91 1.040 29.961 -11.237 20.026 -99.200 -91.000 TRP6 91 1.020 30.897 -13.389 19.720 -99.200 -91.000 PHE 110 1.000 12.216 14.393 11.523 -99.200 -91.000 TYR 113 0.840 1.145 9.030 7.348 -99.200 -91.000 HIS 115 0.900 7.905 14.170 15.276 -99.200 -91.000 TYR 132 0.840 5.927 4.285 37.479 -99.200 -91.000 TRP 139 1.040 5.504 -4.037 10.767 -99.200 -91.000 TRP6 139 1.020 7.029 -2.238 10.944 -99.200 -91.000 TRP 146 1.040 3.170 -20.192 11.901 -99.200 -91.000 TRP6 146 1.020 5.125 -18.876 12.107 -99.200 -91.000 PHE 178 1.000 13.698 -1.859 30.543 -99.200 -91.000 TYR 182 0.840 0.433 -7.483 31.825 -99.200 -91.000 PHE 201 1.000 9.346 -1.061 27.997 -99.200 -91.000 PHE 207 1.000 6.864 13.589 36.159 -99.200 -91.000 TRP 211 1.040 4.303 8.914 23.099 -99.200 -91.000 TRP6 211 1.020 3.509 6.901 24.051 -99.200 -91.000 TYR 212 0.840 11.401 11.546 27.429 -99.200 -91.000 TRP 219 1.040 18.577 -11.040 26.900 -99.200 -91.000 TRP6 219 1.020 18.064 -12.660 28.542 -99.200 -91.000 TYR 229 0.840 8.595 -12.135 34.227 -99.200 -91.000 PHE 231 1.000 15.564 -10.671 31.291 -99.200 -91.000 TYR 232 0.840 11.712 -5.206 26.576 -99.200 -91.000 HIS 234 0.900 18.499 1.523 32.239 -99.200 -91.000 PHE 236 1.000 20.517 7.990 32.180 -99.200 -91.000 TRP 241 1.040 28.755 3.464 22.107 -99.200 -91.000 TRP6 241 1.020 26.940 2.837 20.723 -99.200 -91.000 PHE 249 1.000 32.478 8.116 14.622 -99.200 -91.000