============================================================================= 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. TYR 34 0.840 21.094 -9.448 14.809 -99.200 -91.000 TRP 35 1.040 12.598 -11.768 17.302 -99.200 -91.000 TRP6 35 1.020 11.008 -10.363 18.325 -99.200 -91.000 PHE 44 1.000 20.338 -6.122 26.271 -99.200 -91.000 TYR 49 0.840 22.160 -16.048 13.146 -99.200 -91.000 PHE 62 1.000 13.464 -18.833 23.917 -99.200 -91.000 TYR 71 0.840 10.090 -8.742 10.002 -99.200 -91.000 PHE 83 1.000 6.596 -17.070 32.546 -99.200 -91.000 TYR 86 0.840 11.764 -12.952 25.835 -99.200 -91.000 TYR 87 0.840 14.178 -4.785 25.364 -99.200 -91.000 TYR 91 0.840 20.402 -7.327 10.673 -99.200 -91.000 TYR 96 0.840 22.447 -1.011 12.393 -99.200 -91.000 PHE 98 1.000 18.310 -1.954 20.158 -99.200 -91.000 PHE 118 1.000 0.096 4.321 55.794 -99.200 -91.000 PHE 135 1.000 2.772 2.081 51.762 -99.200 -91.000 PHE 139 1.000 -1.987 -3.062 41.830 -99.200 -91.000 TYR 140 0.840 -2.500 -10.694 37.360 -99.200 -91.000 TRP 148 1.040 -2.403 11.316 45.613 -99.200 -91.000 TRP6 148 1.020 -2.344 10.904 47.933 -99.200 -91.000 TRP 163 1.040 3.875 2.551 38.770 -99.200 -91.000 TRP6 163 1.020 1.607 1.947 38.497 -99.200 -91.000 TYR 173 0.840 2.243 -6.945 38.244 -99.200 -91.000 TYR 186 0.840 -0.647 18.008 55.795 -99.200 -91.000 HIS 189 0.900 -5.335 22.817 50.779 -99.200 -91.000 TYR 192 0.840 -4.221 16.978 52.615 -99.200 -91.000 HIS 198 0.900 -7.199 -3.991 39.692 -99.200 -91.000 PHE 209 1.000 -4.534 12.409 55.910 -99.200 -91.000