============================================================================= 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 62.552 77.822 5.979 -99.200 -91.000 TYR 30 0.840 65.175 72.239 6.936 -99.200 -91.000 TRP 36 1.040 61.170 59.309 5.799 -99.200 -91.000 TRP6 36 1.020 63.458 58.913 5.309 -99.200 -91.000 TRP 46 1.040 69.016 56.221 11.351 -99.200 -91.000 TRP6 46 1.020 69.299 57.600 9.457 -99.200 -91.000 PHE 49 1.000 67.626 56.279 3.917 -99.200 -91.000 PHE 53 1.000 66.807 54.188 -0.892 -99.200 -91.000 PHE 54 1.000 72.627 56.742 0.840 -99.200 -91.000 HIS 56 0.900 74.164 51.296 -5.042 -99.200 -91.000 TYR 77 0.840 66.572 42.398 6.963 -99.200 -91.000 PHE 78 1.000 76.449 37.334 9.677 -99.200 -91.000 TYR 89 0.840 78.109 20.312 4.838 -99.200 -91.000 PHE 104 1.000 75.244 27.214 -4.362 -99.200 -91.000 TRP 124 1.040 72.133 36.527 5.528 -99.200 -91.000 TRP6 124 1.020 74.454 36.773 5.165 -99.200 -91.000 TYR 132 0.840 66.425 37.540 4.771 -99.200 -91.000 PHE 134 1.000 68.098 34.751 15.054 -99.200 -91.000 TYR 142 0.840 71.307 31.190 14.870 -99.200 -91.000 PHE 144 1.000 64.796 28.392 4.433 -99.200 -91.000 PHE 156 1.000 79.280 24.750 -0.682 -99.200 -91.000 TYR 166 0.840 64.306 40.085 0.713 -99.200 -91.000 TRP 183 1.040 62.381 56.010 -6.701 -99.200 -91.000 TRP6 183 1.020 63.843 56.954 -5.079 -99.200 -91.000 HIS 184 0.900 61.098 47.571 -7.810 -99.200 -91.000 TRP 186 1.040 58.390 43.917 -4.946 -99.200 -91.000 TRP6 186 1.020 57.803 41.864 -3.906 -99.200 -91.000 HIS 190 0.900 68.494 38.405 -1.620 -99.200 -91.000 HIS 192 0.900 71.938 38.288 1.876 -99.200 -91.000 TRP 193 1.040 76.382 32.379 -0.943 -99.200 -91.000 TRP6 193 1.020 76.383 30.050 -0.454 -99.200 -91.000 TYR 200 0.840 93.762 31.433 1.050 -99.200 -91.000 TYR 208 0.840 71.576 38.966 -6.715 -99.200 -91.000 PHE 209 1.000 68.098 31.433 -6.976 -99.200 -91.000 TRP 214 1.040 60.732 41.798 -8.145 -99.200 -91.000 TRP6 214 1.020 59.534 43.672 -8.949 -99.200 -91.000 HIS 240 0.900 66.220 17.476 -7.493 -99.200 -91.000 PHE 241 1.000 63.263 24.209 -10.260 -99.200 -91.000 TYR 245 0.840 79.324 31.696 -8.066 -99.200 -91.000 PHE 247 1.000 80.603 30.706 -3.519 -99.200 -91.000