============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.486 6.201 18.409 -99.200 -91.000 TRP6 14 1.020 7.192 7.989 19.239 -99.200 -91.000 PHE 19 1.000 12.680 -5.537 3.199 -99.200 -91.000 TRP 37 1.040 22.901 10.324 14.317 -99.200 -91.000 TRP6 37 1.020 24.715 8.818 14.262 -99.200 -91.000 HIS 43 0.900 19.321 -9.301 19.344 -99.200 -91.000 TYR 47 0.840 23.584 -14.508 18.896 -99.200 -91.000 TRP 49 1.040 21.879 -18.132 16.497 -99.200 -91.000 TRP6 49 1.020 19.915 -16.919 16.953 -99.200 -91.000 PHE 53 1.000 22.363 -9.347 8.284 -99.200 -91.000 HIS 65 0.900 -0.867 0.496 10.151 -99.200 -91.000 TYR 70 0.840 7.340 1.675 -2.078 -99.200 -91.000 TYR 84 0.840 29.185 5.038 13.951 -99.200 -91.000 HIS 86 0.900 29.016 -0.160 24.714 -99.200 -91.000 TYR 89 0.840 26.248 -7.611 20.958 -99.200 -91.000 TRP 91 1.040 29.931 -11.250 20.222 -99.200 -91.000 TRP6 91 1.020 30.888 -13.388 19.948 -99.200 -91.000 PHE 110 1.000 12.095 14.744 11.780 -99.200 -91.000 TYR 113 0.840 1.059 9.250 7.575 -99.200 -91.000 HIS 115 0.900 7.926 14.418 15.550 -99.200 -91.000 TYR 132 0.840 5.800 4.536 37.809 -99.200 -91.000 TRP 139 1.040 5.480 -4.006 11.074 -99.200 -91.000 TRP6 139 1.020 7.089 -2.290 11.274 -99.200 -91.000 PHE 176 1.000 13.702 -1.729 30.719 -99.200 -91.000 TYR 180 0.840 0.299 -6.977 32.171 -99.200 -91.000 PHE 199 1.000 9.151 -0.790 28.269 -99.200 -91.000 PHE 205 1.000 7.149 14.105 36.029 -99.200 -91.000 TRP 209 1.040 4.294 9.195 23.220 -99.200 -91.000 TRP6 209 1.020 3.595 7.196 24.265 -99.200 -91.000 TYR 210 0.840 11.302 11.948 27.614 -99.200 -91.000 TRP 217 1.040 18.360 -10.919 27.149 -99.200 -91.000 TRP6 217 1.020 17.785 -12.372 28.913 -99.200 -91.000 TYR 227 0.840 8.557 -11.809 34.722 -99.200 -91.000 PHE 229 1.000 15.557 -10.348 31.418 -99.200 -91.000 TYR 230 0.840 11.643 -4.997 26.860 -99.200 -91.000 HIS 232 0.900 18.503 1.600 32.383 -99.200 -91.000 PHE 234 1.000 20.351 8.171 32.411 -99.200 -91.000 TRP 239 1.040 28.824 3.641 22.492 -99.200 -91.000 TRP6 239 1.020 27.022 2.895 21.163 -99.200 -91.000 PHE 247 1.000 32.321 8.447 14.992 -99.200 -91.000