============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 2 0.900 -21.139 24.294 46.383 -99.200 -91.000 PHE 4 1.000 -10.362 27.916 47.553 -99.200 -91.000 PHE 24 1.000 -8.077 4.364 53.941 -99.200 -91.000 TYR 51 0.840 -25.696 16.365 58.575 -99.200 -91.000 PHE 59 1.000 -18.019 15.070 55.094 -99.200 -91.000 PHE 69 1.000 -3.653 22.614 49.725 -99.200 -91.000 HIS 71 0.900 2.336 18.342 43.667 -99.200 -91.000 TYR 93 0.840 -9.964 2.580 45.258 -99.200 -91.000 PHE 102 1.000 1.891 -1.333 49.005 -99.200 -91.000 HIS 106 0.900 3.380 -5.908 49.723 -99.200 -91.000 PHE 110 1.000 7.226 -2.565 47.707 -99.200 -91.000 TYR 128 0.840 0.763 23.280 44.837 -99.200 -91.000 TYR 134 0.840 -2.901 22.261 54.893 -99.200 -91.000 HIS 136 0.900 -0.667 16.644 56.782 -99.200 -91.000 PHE 157 1.000 -6.456 8.890 55.261 -99.200 -91.000 TRP 163 1.040 4.298 10.224 62.611 -99.200 -91.000 TRP6 163 1.020 2.980 8.898 64.067 -99.200 -91.000 TYR 171 0.840 7.668 27.742 71.286 -99.200 -91.000 PHE 174 1.000 1.781 22.102 65.661 -99.200 -91.000 TRP 181 1.040 10.603 15.969 64.269 -99.200 -91.000 TRP6 181 1.020 12.607 16.326 65.500 -99.200 -91.000 TYR 183 0.840 10.082 13.627 53.518 -99.200 -91.000 TRP 188 1.040 13.313 5.137 61.830 -99.200 -91.000 TRP6 188 1.020 11.597 3.852 62.808 -99.200 -91.000 TYR 193 0.840 10.366 -2.505 53.341 -99.200 -91.000 TYR 198 0.840 10.400 8.703 68.349 -99.200 -91.000 TRP 199 1.040 10.518 0.595 67.777 -99.200 -91.000 TRP6 199 1.020 12.341 1.943 68.471 -99.200 -91.000 TYR 214 0.840 19.547 9.394 74.142 -99.200 -91.000 TYR 227 0.840 20.277 7.294 61.049 -99.200 -91.000 TRP 234 1.040 13.930 13.101 62.502 -99.200 -91.000 TRP6 234 1.020 14.821 10.915 62.512 -99.200 -91.000 PHE 244 1.000 8.420 19.354 53.394 -99.200 -91.000