============================================================================= 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. PHE 4 1.000 16.024 100.465 12.535 -99.200 -91.000 PHE 45 1.000 15.008 100.796 -8.209 -99.200 -91.000 TYR 49 0.840 15.434 88.439 -11.837 -99.200 -91.000 TYR 53 0.840 12.994 91.244 -19.928 -99.200 -91.000 PHE 54 1.000 19.082 90.109 -15.326 -99.200 -91.000 TYR 57 0.840 15.013 97.360 -19.461 -99.200 -91.000 TYR 79 0.840 21.586 105.908 7.331 -99.200 -91.000 TYR 94 0.840 29.809 92.430 -11.646 -99.200 -91.000 PHE 100 1.000 23.109 105.715 -3.712 -99.200 -91.000 HIS 110 0.900 25.615 91.732 -1.410 -99.200 -91.000 HIS 114 0.900 25.801 82.814 -2.095 -99.200 -91.000 PHE 116 1.000 16.058 82.385 -9.349 -99.200 -91.000 PHE 126 1.000 15.978 84.097 -13.980 -99.200 -91.000 PHE 138 1.000 31.390 87.638 3.513 -99.200 -91.000 PHE 141 1.000 22.940 100.306 5.337 -99.200 -91.000 TYR 145 0.840 18.227 104.753 13.545 -99.200 -91.000 TYR 154 0.840 19.860 80.446 -5.573 -99.200 -91.000 PHE 158 1.000 23.756 79.867 -1.504 -99.200 -91.000 TYR 165 0.840 26.101 90.291 5.532 -99.200 -91.000 TYR 175 0.840 19.000 88.096 3.218 -99.200 -91.000 PHE 179 1.000 12.854 82.982 -2.459 -99.200 -91.000 HIS 187 0.900 11.854 76.218 -0.851 -99.200 -91.000 TRP 188 1.040 8.908 85.879 0.746 -99.200 -91.000 TRP6 188 1.020 10.567 87.064 -0.451 -99.200 -91.000 TYR 202 0.840 14.039 93.398 14.996 -99.200 -91.000 TYR 216 0.840 11.223 85.365 -10.934 -99.200 -91.000 TRP 219 1.040 5.499 84.481 -1.990 -99.200 -91.000 TRP6 219 1.020 3.603 83.121 -2.337 -99.200 -91.000 HIS 221 0.900 2.199 87.257 -0.079 -99.200 -91.000 TRP 228 1.040 10.014 84.264 20.258 -99.200 -91.000 TRP6 228 1.020 11.302 83.700 22.151 -99.200 -91.000 TYR 243 0.840 5.288 103.183 6.023 -99.200 -91.000 TYR 269 0.840 29.870 75.174 16.422 -99.200 -91.000