============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 32 0.900 -7.896 60.694 15.514 -99.200 -91.000 PHE 39 1.000 9.730 72.988 15.770 -99.200 -91.000 TYR 53 0.840 22.002 80.205 24.242 -99.200 -91.000 HIS 63 0.900 19.511 91.500 19.829 -99.200 -91.000 HIS 66 0.900 13.652 85.580 19.182 -99.200 -91.000 PHE 69 1.000 16.036 78.529 21.009 -99.200 -91.000 TRP 74 1.040 10.498 80.647 9.430 -99.200 -91.000 TRP6 74 1.020 8.593 80.784 8.064 -99.200 -91.000 TYR 95 0.840 4.749 76.315 15.641 -99.200 -91.000 PHE 97 1.000 2.051 80.087 19.959 -99.200 -91.000 TYR 102 0.840 11.095 79.659 28.052 -99.200 -91.000 PHE 109 1.000 16.499 90.273 23.001 -99.200 -91.000 TRP 113 1.040 13.779 92.565 16.985 -99.200 -91.000 TRP6 113 1.020 14.929 90.568 17.556 -99.200 -91.000 PHE 129 1.000 0.609 78.599 29.510 -99.200 -91.000 PHE 143 1.000 14.154 75.639 38.148 -99.200 -91.000 HIS 145 0.900 22.831 70.720 36.811 -99.200 -91.000 TYR 148 0.840 16.926 80.617 27.901 -99.200 -91.000 PHE 153 1.000 15.189 83.457 30.861 -99.200 -91.000 PHE 161 1.000 5.044 80.315 27.427 -99.200 -91.000 HIS 162 0.900 -0.567 83.900 32.126 -99.200 -91.000 TRP 172 1.040 -3.367 81.347 22.848 -99.200 -91.000 TRP6 172 1.020 -1.282 80.603 23.684 -99.200 -91.000 HIS 185 0.900 -3.556 60.940 27.403 -99.200 -91.000 TRP 208 1.040 1.791 85.640 16.489 -99.200 -91.000 TRP6 208 1.020 3.797 84.746 17.341 -99.200 -91.000