============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 2 0.840 98.006 27.165 43.779 -99.200 -91.000 PHE 11 1.000 84.542 11.518 50.431 -99.200 -91.000 PHE 31 1.000 75.791 14.554 32.011 -99.200 -91.000 PHE 37 1.000 73.339 8.039 46.798 -99.200 -91.000 PHE 41 1.000 83.446 4.279 44.496 -99.200 -91.000 TYR 51 0.840 76.589 24.866 43.093 -99.200 -91.000 PHE 57 1.000 70.969 16.123 34.555 -99.200 -91.000 PHE 69 1.000 71.733 14.412 28.811 -99.200 -91.000 PHE 86 1.000 82.299 0.609 40.607 -99.200 -91.000 TYR 89 0.840 80.465 -1.863 35.591 -99.200 -91.000 PHE 91 1.000 86.363 -1.346 28.699 -99.200 -91.000 PHE 94 1.000 87.051 1.993 23.188 -99.200 -91.000 TYR 104 0.840 80.287 16.072 17.733 -99.200 -91.000 TYR 106 0.840 90.906 15.390 11.257 -99.200 -91.000 PHE 112 1.000 77.954 22.071 13.971 -99.200 -91.000 TRP 123 1.040 92.371 4.053 36.167 -99.200 -91.000 TRP6 123 1.020 94.369 4.052 37.487 -99.200 -91.000 HIS 128 0.900 87.137 -5.410 48.744 -99.200 -91.000 TYR 132 0.840 83.423 -8.108 34.567 -99.200 -91.000 HIS 133 0.900 82.314 -3.920 40.557 -99.200 -91.000 PHE 140 1.000 91.121 -1.880 26.624 -99.200 -91.000 PHE 141 1.000 88.639 5.025 26.886 -99.200 -91.000 HIS 143 0.900 95.713 2.871 18.176 -99.200 -91.000 PHE 156 1.000 97.920 21.196 45.166 -99.200 -91.000 PHE 174 1.000 90.344 13.795 37.448 -99.200 -91.000 PHE 175 1.000 89.973 6.308 33.010 -99.200 -91.000 TYR 181 0.840 86.824 7.993 44.684 -99.200 -91.000 TYR 193 0.840 94.300 23.570 43.276 -99.200 -91.000 TRP 214 1.040 99.390 5.565 34.684 -99.200 -91.000 TRP6 214 1.020 101.234 4.994 33.296 -99.200 -91.000 HIS 219 0.900 100.854 8.115 46.308 -99.200 -91.000 TRP 247 1.040 103.309 9.971 25.749 -99.200 -91.000 TRP6 247 1.020 105.566 9.454 26.331 -99.200 -91.000 HIS 266 0.900 100.891 -0.444 32.530 -99.200 -91.000 PHE 274 1.000 100.679 5.992 27.340 -99.200 -91.000 PHE 287 1.000 119.675 2.281 20.095 -99.200 -91.000 TYR 300 0.840 101.669 -11.514 37.042 -99.200 -91.000 PHE 304 1.000 92.854 -6.327 39.718 -99.200 -91.000 HIS 306 0.900 86.784 -12.283 45.589 -99.200 -91.000 PHE 308 1.000 93.609 -17.036 42.573 -99.200 -91.000 PHE 311 1.000 99.330 -14.682 46.176 -99.200 -91.000 TYR 312 0.840 96.542 -8.514 37.629 -99.200 -91.000 TRP 317 1.040 107.711 -6.632 48.936 -99.200 -91.000 TRP6 317 1.020 109.764 -6.157 50.057 -99.200 -91.000 TYR 320 0.840 114.707 -4.036 46.171 -99.200 -91.000 TYR 329 0.840 120.937 -5.952 30.370 -99.200 -91.000