============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 6.203 37.878 47.064 -99.200 -91.000 TYR 16 0.840 13.979 36.944 33.764 -99.200 -91.000 TYR 24 0.840 24.947 34.312 30.316 -99.200 -91.000 PHE 29 1.000 16.193 34.063 38.272 -99.200 -91.000 TYR 32 0.840 10.258 38.887 51.399 -99.200 -91.000 PHE 46 1.000 20.713 27.116 51.874 -99.200 -91.000 TYR 48 0.840 21.247 30.890 47.047 -99.200 -91.000 TYR 58 0.840 2.758 30.883 42.486 -99.200 -91.000 TRP 67 1.040 -0.543 17.397 44.201 -99.200 -91.000 TRP6 67 1.020 -1.290 19.470 45.125 -99.200 -91.000 HIS 77 0.900 12.356 13.620 47.170 -99.200 -91.000 TYR 90 0.840 -6.827 19.362 54.305 -99.200 -91.000 PHE 98 1.000 3.629 24.825 51.952 -99.200 -91.000 PHE 102 1.000 8.355 33.453 52.720 -99.200 -91.000 TYR 111 0.840 -14.635 47.929 42.778 -99.200 -91.000 TYR 131 0.840 -18.042 38.562 42.908 -99.200 -91.000 PHE 142 1.000 -11.663 31.158 51.737 -99.200 -91.000 PHE 143 1.000 -13.653 33.660 47.579 -99.200 -91.000 TYR 151 0.840 -16.280 34.297 52.650 -99.200 -91.000 TRP 155 1.040 -17.043 27.653 43.444 -99.200 -91.000 TRP6 155 1.020 -15.142 28.169 42.089 -99.200 -91.000 PHE 157 1.000 -20.441 37.179 39.312 -99.200 -91.000 TYR 182 0.840 -12.280 41.168 37.602 -99.200 -91.000 TYR 193 0.840 5.027 45.296 44.110 -99.200 -91.000 TYR 213 0.840 2.624 34.536 50.220 -99.200 -91.000 TYR 223 0.840 18.922 21.124 53.683 -99.200 -91.000 HIS 241 0.900 8.590 45.973 59.520 -99.200 -91.000 TRP 247 1.040 13.058 43.352 48.014 -99.200 -91.000 TRP6 247 1.020 13.994 43.738 45.862 -99.200 -91.000 TRP 248 1.040 4.911 44.556 49.687 -99.200 -91.000 TRP6 248 1.020 6.308 42.608 49.486 -99.200 -91.000