============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TRP 8 1.040 -22.256 28.255 1.855 -99.200 -91.000 TRP6 8 1.020 -19.986 28.877 1.517 -99.200 -91.000 TYR 23 0.840 -21.349 22.685 -9.026 -99.200 -91.000 TYR 24 0.840 -23.557 29.345 -13.408 -99.200 -91.000 TYR 25 0.840 -23.102 20.176 -12.813 -99.200 -91.000 TYR 36 0.840 -10.362 3.905 -2.960 -99.200 -91.000 HIS 46 0.900 -29.142 10.061 1.554 -99.200 -91.000 PHE 49 1.000 -23.868 8.993 -0.925 -99.200 -91.000 TYR 59 0.840 -8.810 -0.869 8.435 -99.200 -91.000 TYR 60 0.840 -13.300 1.077 13.931 -99.200 -91.000 TYR 61 0.840 -16.658 -4.544 17.325 -99.200 -91.000 HIS 69 0.900 -16.498 13.704 9.741 -99.200 -91.000 HIS 72 0.900 -22.182 17.174 5.903 -99.200 -91.000 TYR 82 0.840 -28.020 17.717 -0.567 -99.200 -91.000 PHE 91 1.000 -14.598 2.399 -5.333 -99.200 -91.000 TYR 104 0.840 -2.431 9.910 14.715 -99.200 -91.000 PHE 113 1.000 -8.719 -1.692 1.355 -99.200 -91.000 TYR 137 0.840 5.039 15.831 13.011 -99.200 -91.000 TYR 169 0.840 -3.211 20.779 15.186 -99.200 -91.000 TYR 186 0.840 -22.014 36.596 4.778 -99.200 -91.000 PHE 192 1.000 -14.626 25.887 11.154 -99.200 -91.000 TYR 195 0.840 -3.241 30.343 11.775 -99.200 -91.000 PHE 202 1.000 -7.816 29.100 3.561 -99.200 -91.000 TRP 212 1.040 -26.565 12.972 10.015 -99.200 -91.000 TRP6 212 1.020 -24.386 13.850 10.365 -99.200 -91.000 HIS 229 0.900 -17.435 22.049 -0.533 -99.200 -91.000 TYR 236 0.840 -15.780 19.721 -13.141 -99.200 -91.000 TYR 251 0.840 -5.705 22.691 -13.751 -99.200 -91.000 PHE 266 1.000 3.357 38.430 5.035 -99.200 -91.000 TYR 274 0.840 -13.349 30.089 -10.988 -99.200 -91.000 TYR 277 0.840 -19.419 25.046 -17.220 -99.200 -91.000