============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 27 0.840 -2.059 -7.314 41.292 -99.200 -91.000 TYR 30 0.840 0.279 -7.323 35.467 -99.200 -91.000 TRP 36 1.040 -5.069 -8.177 23.244 -99.200 -91.000 TRP6 36 1.020 -3.170 -6.930 22.617 -99.200 -91.000 TRP 46 1.040 3.764 -10.602 19.206 -99.200 -91.000 TRP6 46 1.020 3.371 -8.682 20.528 -99.200 -91.000 PHE 49 1.000 -0.196 -4.294 19.471 -99.200 -91.000 PHE 53 1.000 -3.062 -0.162 17.653 -99.200 -91.000 PHE 54 1.000 3.326 0.503 19.128 -99.200 -91.000 HIS 56 0.900 1.901 6.174 13.554 -99.200 -91.000 TYR 77 0.840 -2.460 -8.043 6.018 -99.200 -91.000 PHE 78 1.000 6.654 -7.722 -0.828 -99.200 -91.000 TYR 89 0.840 3.665 -3.654 -17.505 -99.200 -91.000 PHE 104 1.000 -0.840 4.443 -10.426 -99.200 -91.000 TRP 124 1.040 1.176 -5.384 -0.732 -99.200 -91.000 TRP6 124 1.020 3.266 -4.246 -0.919 -99.200 -91.000 TYR 132 0.840 -4.169 -6.405 1.306 -99.200 -91.000 PHE 134 1.000 0.307 -15.640 -1.753 -99.200 -91.000 TYR 142 0.840 2.535 -14.707 -5.869 -99.200 -91.000 PHE 144 1.000 -7.473 -7.187 -7.486 -99.200 -91.000 PHE 156 1.000 3.621 2.178 -13.564 -99.200 -91.000 TYR 166 0.840 -7.365 -5.349 6.011 -99.200 -91.000 TRP 183 1.040 -9.276 3.739 20.162 -99.200 -91.000 TRP6 183 1.020 -7.157 2.897 20.785 -99.200 -91.000 HIS 184 0.900 -14.666 4.845 13.539 -99.200 -91.000 TRP 186 1.040 -13.871 0.635 8.983 -99.200 -91.000 TRP6 186 1.020 -14.423 -0.709 7.112 -99.200 -91.000 HIS 190 0.900 -4.224 0.323 1.769 -99.200 -91.000 HIS 192 0.900 0.121 -1.849 1.077 -99.200 -91.000 TRP 193 1.040 2.154 1.888 -5.640 -99.200 -91.000 TRP6 193 1.020 2.016 1.280 -7.925 -99.200 -91.000 TYR 200 0.840 18.654 5.876 -9.627 -99.200 -91.000 TYR 208 0.840 -3.122 6.092 1.884 -99.200 -91.000 PHE 209 1.000 -7.695 4.673 -4.954 -99.200 -91.000 TRP 214 1.040 -13.218 4.011 6.486 -99.200 -91.000 TRP6 214 1.020 -14.283 4.414 8.571 -99.200 -91.000 HIS 241 0.900 -11.931 3.631 -18.190 -99.200 -91.000 PHE 242 1.000 -14.503 5.775 -11.096 -99.200 -91.000 TYR 246 0.840 2.368 9.520 -6.699 -99.200 -91.000 PHE 248 1.000 4.947 5.673 -7.850 -99.200 -91.000