============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 3 0.900 22.081 -21.822 -27.090 -99.200 -91.000 TYR 7 0.840 10.157 -13.119 -32.833 -99.200 -91.000 PHE 8 1.000 9.276 -12.710 -24.372 -99.200 -91.000 TYR 9 0.840 3.912 -10.807 -31.522 -99.200 -91.000 PHE 22 1.000 2.198 -5.946 -32.204 -99.200 -91.000 TYR 27 0.840 14.296 -10.539 -24.774 -99.200 -91.000 PHE 33 1.000 16.100 -11.855 -32.520 -99.200 -91.000 PHE 36 1.000 5.999 -2.597 -35.893 -99.200 -91.000 TRP 51 1.040 23.573 -11.518 -32.154 -99.200 -91.000 TRP6 51 1.020 21.402 -12.294 -32.692 -99.200 -91.000 TYR 59 0.840 15.484 -10.681 -40.217 -99.200 -91.000 TRP 60 1.040 16.760 -5.530 -41.259 -99.200 -91.000 TRP6 60 1.020 16.525 -5.842 -38.921 -99.200 -91.000 PHE 67 1.000 7.353 -8.077 -35.575 -99.200 -91.000 TYR 74 0.840 -2.033 -9.444 -31.171 -99.200 -91.000 TYR 84 0.840 -14.640 -12.804 -27.709 -99.200 -91.000 TYR 85 0.840 -13.000 -11.888 -20.722 -99.200 -91.000 HIS 93 0.900 -10.039 -3.938 -20.449 -99.200 -91.000 TYR 99 0.840 5.464 -16.029 -31.807 -99.200 -91.000 HIS 113 0.900 7.444 -23.264 -24.552 -99.200 -91.000 TYR 118 0.840 -8.857 -8.878 -22.058 -99.200 -91.000 TYR 123 0.840 -8.743 -15.019 -24.317 -99.200 -91.000 TRP 133 1.040 -5.862 -23.955 -30.418 -99.200 -91.000 TRP6 133 1.020 -4.024 -22.477 -30.439 -99.200 -91.000 TRP 147 1.040 -6.951 -17.883 -32.863 -99.200 -91.000 TRP6 147 1.020 -5.296 -17.715 -31.179 -99.200 -91.000 TYR 159 0.840 7.420 -19.384 -36.265 -99.200 -91.000 TRP 167 1.040 14.496 -17.629 -40.361 -99.200 -91.000 TRP6 167 1.020 15.854 -15.917 -41.266 -99.200 -91.000 TYR 171 0.840 17.622 -15.008 -35.848 -99.200 -91.000 HIS 188 0.900 32.138 -8.838 -3.935 -99.200 -91.000 HIS 191 0.900 31.192 -9.363 9.085 -99.200 -91.000 HIS 192 0.900 28.939 -4.011 4.782 -99.200 -91.000 HIS 197 0.900 23.862 -11.610 20.632 -99.200 -91.000 TRP 204 1.040 27.778 -8.365 -3.228 -99.200 -91.000 TRP6 204 1.020 26.435 -6.782 -4.365 -99.200 -91.000 PHE 208 1.000 24.832 -13.768 -12.993 -99.200 -91.000 TYR 209 0.840 24.100 -14.243 -22.218 -99.200 -91.000 TRP 217 1.040 24.597 -16.693 2.008 -99.200 -91.000 TRP6 217 1.020 26.864 -16.672 2.647 -99.200 -91.000 PHE 241 1.000 20.942 -11.061 -17.490 -99.200 -91.000 TRP 244 1.040 22.303 -8.140 -3.441 -99.200 -91.000 TRP6 244 1.020 20.865 -8.377 -1.577 -99.200 -91.000 TYR 257 0.840 25.598 -18.911 8.803 -99.200 -91.000 HIS 260 0.900 27.927 -24.491 -1.033 -99.200 -91.000 HIS 263 0.900 26.624 -18.428 -15.279 -99.200 -91.000 TRP 274 1.040 33.939 -11.769 6.025 -99.200 -91.000 TRP6 274 1.020 34.343 -11.643 8.344 -99.200 -91.000