============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 41.353 -5.925 21.126 -99.200 -91.000 TRP 15 1.040 26.221 1.759 17.935 -99.200 -91.000 TRP6 15 1.020 24.290 1.178 16.709 -99.200 -91.000 HIS 16 0.900 30.614 3.635 21.566 -99.200 -91.000 TYR 24 0.840 25.111 14.579 30.592 -99.200 -91.000 PHE 51 1.000 40.730 -6.472 36.437 -99.200 -91.000 HIS 53 0.900 45.247 -15.908 38.869 -99.200 -91.000 PHE 56 1.000 36.178 -11.566 41.374 -99.200 -91.000 HIS 59 0.900 27.005 -14.090 50.362 -99.200 -91.000 HIS 61 0.900 27.378 -13.615 43.072 -99.200 -91.000 PHE 67 1.000 25.126 -1.232 53.220 -99.200 -91.000 TYR 88 0.840 35.542 -10.214 14.139 -99.200 -91.000 TRP 100 1.040 27.864 2.881 39.877 -99.200 -91.000 TRP6 100 1.020 29.357 2.233 38.211 -99.200 -91.000 HIS 110 0.900 28.895 10.091 46.410 -99.200 -91.000 TYR 115 0.840 14.518 11.758 45.225 -99.200 -91.000 PHE 123 1.000 20.348 -2.004 46.950 -99.200 -91.000 TYR 136 0.840 25.812 -17.462 29.203 -99.200 -91.000 TYR 137 0.840 26.058 -9.847 33.025 -99.200 -91.000 PHE 139 1.000 26.533 -8.220 38.460 -99.200 -91.000 TYR 147 0.840 19.156 9.305 39.806 -99.200 -91.000 TRP 149 1.040 18.791 14.210 35.616 -99.200 -91.000 TRP6 149 1.020 20.568 14.773 34.160 -99.200 -91.000 TRP 156 1.040 11.356 13.560 37.298 -99.200 -91.000 TRP6 156 1.020 11.269 12.764 39.513 -99.200 -91.000 HIS 160 0.900 20.306 5.296 36.124 -99.200 -91.000 HIS 162 0.900 25.563 4.713 36.415 -99.200 -91.000 PHE 163 1.000 25.620 -4.039 33.977 -99.200 -91.000 TYR 179 0.840 19.167 3.805 30.300 -99.200 -91.000 PHE 180 1.000 15.836 -2.267 35.066 -99.200 -91.000 TYR 221 0.840 13.717 -6.527 33.748 -99.200 -91.000 PHE 223 1.000 22.952 -4.431 29.440 -99.200 -91.000 HIS 234 0.900 44.565 -9.362 8.352 -99.200 -91.000 PHE 235 1.000 48.241 -11.259 4.425 -99.200 -91.000