============================================================================= 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. PHE 11 1.000 -4.080 88.468 6.600 -99.200 -91.000 HIS 25 0.900 8.143 93.076 4.892 -99.200 -91.000 PHE 38 1.000 7.999 79.125 0.471 -99.200 -91.000 TYR 62 0.840 4.910 88.940 -12.154 -99.200 -91.000 PHE 70 1.000 0.975 81.268 -6.648 -99.200 -91.000 PHE 90 1.000 0.981 85.917 -12.196 -99.200 -91.000 TYR 98 0.840 1.350 74.516 2.899 -99.200 -91.000 TYR 101 0.840 -3.062 72.498 5.520 -99.200 -91.000 TYR 102 0.840 -7.518 68.057 10.920 -99.200 -91.000 TYR 103 0.840 -7.812 65.481 6.321 -99.200 -91.000 HIS 110 0.900 -3.897 57.605 -1.307 -99.200 -91.000 TYR 114 0.840 -0.521 67.887 -2.584 -99.200 -91.000 PHE 115 1.000 4.424 67.190 -2.056 -99.200 -91.000 HIS 124 0.900 6.369 79.598 -13.670 -99.200 -91.000 TYR 127 0.840 12.185 75.885 -5.874 -99.200 -91.000 TYR 129 0.840 7.039 75.397 4.056 -99.200 -91.000 TYR 131 0.840 6.812 74.000 9.849 -99.200 -91.000 PHE 150 1.000 9.096 67.710 -4.568 -99.200 -91.000 HIS 162 0.900 14.507 65.561 6.994 -99.200 -91.000 TYR 166 0.840 15.072 66.928 1.864 -99.200 -91.000 TYR 176 0.840 16.744 77.359 -1.380 -99.200 -91.000 TYR 201 0.840 12.237 89.536 12.901 -99.200 -91.000 PHE 226 1.000 26.664 81.530 18.393 -99.200 -91.000 HIS 228 0.900 18.465 86.804 12.638 -99.200 -91.000 PHE 238 1.000 5.085 88.198 25.345 -99.200 -91.000 TYR 245 0.840 1.639 90.324 10.998 -99.200 -91.000 TYR 250 0.840 12.519 98.006 18.372 -99.200 -91.000 PHE 251 1.000 14.869 94.709 15.273 -99.200 -91.000 TYR 254 0.840 8.401 98.274 6.049 -99.200 -91.000 TYR 258 0.840 -4.305 95.896 12.801 -99.200 -91.000 PHE 264 1.000 -7.058 85.513 18.544 -99.200 -91.000