============================================================================= 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 98.820 25.588 45.147 -99.200 -91.000 PHE 11 1.000 85.008 10.265 50.746 -99.200 -91.000 PHE 31 1.000 76.301 14.188 32.547 -99.200 -91.000 PHE 37 1.000 73.641 6.988 47.176 -99.200 -91.000 PHE 41 1.000 83.851 3.319 44.605 -99.200 -91.000 TYR 51 0.840 77.157 24.073 43.941 -99.200 -91.000 PHE 57 1.000 71.422 15.675 35.207 -99.200 -91.000 PHE 69 1.000 72.201 14.188 29.349 -99.200 -91.000 PHE 86 1.000 82.820 -0.180 40.690 -99.200 -91.000 TYR 89 0.840 80.870 -2.383 35.612 -99.200 -91.000 PHE 91 1.000 86.859 -1.519 28.600 -99.200 -91.000 PHE 94 1.000 87.560 1.975 23.235 -99.200 -91.000 TYR 104 0.840 80.833 16.222 18.396 -99.200 -91.000 TYR 106 0.840 91.396 15.809 11.945 -99.200 -91.000 PHE 112 1.000 78.447 22.435 14.954 -99.200 -91.000 TRP 123 1.040 92.861 3.513 36.372 -99.200 -91.000 TRP6 123 1.020 94.845 3.461 37.688 -99.200 -91.000 HIS 128 0.900 87.940 -5.988 48.307 -99.200 -91.000 TYR 132 0.840 83.979 -8.583 34.231 -99.200 -91.000 HIS 133 0.900 82.787 -4.667 40.450 -99.200 -91.000 PHE 140 1.000 91.660 -2.053 26.548 -99.200 -91.000 PHE 141 1.000 89.106 4.822 27.119 -99.200 -91.000 HIS 143 0.900 96.249 3.063 18.369 -99.200 -91.000 PHE 156 1.000 98.491 20.137 45.990 -99.200 -91.000 PHE 174 1.000 90.886 13.167 37.931 -99.200 -91.000 PHE 175 1.000 90.461 5.844 33.234 -99.200 -91.000 TYR 181 0.840 87.233 7.114 44.950 -99.200 -91.000 TYR 193 0.840 94.897 22.633 44.259 -99.200 -91.000 TRP 214 1.040 99.903 5.083 34.950 -99.200 -91.000 TRP6 214 1.020 101.734 4.616 33.488 -99.200 -91.000 HIS 219 0.900 101.241 7.014 46.626 -99.200 -91.000 TRP 247 1.040 103.901 9.815 26.100 -99.200 -91.000 TRP6 247 1.020 106.133 9.291 26.723 -99.200 -91.000 HIS 266 0.900 101.403 -0.860 32.520 -99.200 -91.000 PHE 274 1.000 101.186 5.786 27.551 -99.200 -91.000 PHE 287 1.000 120.207 2.456 20.199 -99.200 -91.000 TYR 300 0.840 102.210 -12.168 36.514 -99.200 -91.000 PHE 304 1.000 93.464 -7.009 39.324 -99.200 -91.000 HIS 306 0.900 87.358 -13.139 45.040 -99.200 -91.000 PHE 308 1.000 94.118 -17.876 41.757 -99.200 -91.000 PHE 311 1.000 99.923 -15.662 45.481 -99.200 -91.000 TYR 312 0.840 97.149 -9.180 37.185 -99.200 -91.000 TRP 317 1.040 108.249 -7.778 48.632 -99.200 -91.000 TRP6 317 1.020 110.292 -7.342 49.743 -99.200 -91.000 TYR 320 0.840 115.199 -5.008 45.909 -99.200 -91.000 TYR 329 0.840 121.570 -6.207 30.043 -99.200 -91.000