============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 9 1.000 42.665 1.879 -0.749 -99.200 -91.000 HIS 36 0.900 42.618 -12.586 24.930 -99.200 -91.000 TYR 38 0.840 38.778 -12.881 19.264 -99.200 -91.000 TRP 39 1.040 41.850 -11.715 10.835 -99.200 -91.000 TRP6 39 1.020 42.188 -9.667 9.697 -99.200 -91.000 TYR 40 0.840 34.071 -10.692 14.851 -99.200 -91.000 TYR 53 0.840 38.105 -20.099 17.296 -99.200 -91.000 PHE 66 1.000 36.995 -16.340 4.051 -99.200 -91.000 PHE 75 1.000 47.588 -9.911 15.305 -99.200 -91.000 TYR 90 0.840 36.765 -10.194 4.169 -99.200 -91.000 TYR 91 0.840 34.541 -3.922 9.998 -99.200 -91.000 TYR 100 0.840 36.563 -6.992 25.620 -99.200 -91.000 PHE 102 1.000 34.538 -4.910 16.778 -99.200 -91.000 PHE 122 1.000 13.150 4.797 -15.581 -99.200 -91.000 PHE 139 1.000 16.482 3.399 -11.343 -99.200 -91.000 PHE 143 1.000 28.651 1.979 -12.454 -99.200 -91.000 TYR 144 0.840 35.349 -3.766 -11.988 -99.200 -91.000 TRP 152 1.040 20.956 14.560 -13.108 -99.200 -91.000 TRP6 152 1.020 19.073 13.601 -14.157 -99.200 -91.000 TRP 167 1.040 27.736 5.841 -6.335 -99.200 -91.000 TRP6 167 1.020 27.610 7.923 -5.219 -99.200 -91.000 TYR 177 0.840 31.725 -1.479 -7.716 -99.200 -91.000 TYR 190 0.840 9.245 17.982 -15.764 -99.200 -91.000 HIS 193 0.900 14.479 25.410 -17.879 -99.200 -91.000 TYR 196 0.840 13.803 18.614 -17.642 -99.200 -91.000 HIS 202 0.900 32.568 2.806 -16.601 -99.200 -91.000 PHE 213 1.000 12.525 13.465 -19.560 -99.200 -91.000