============================================================================= 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 17.931 52.088 113.799 -99.200 -91.000 HIS 25 0.900 5.764 49.614 117.881 -99.200 -91.000 PHE 38 1.000 7.004 44.070 104.504 -99.200 -91.000 TYR 62 0.840 10.631 32.783 115.515 -99.200 -91.000 PHE 70 1.000 14.334 37.910 107.630 -99.200 -91.000 PHE 90 1.000 14.737 32.945 112.704 -99.200 -91.000 TYR 98 0.840 13.728 46.730 100.061 -99.200 -91.000 TYR 101 0.840 17.989 49.514 97.851 -99.200 -91.000 TYR 102 0.840 22.515 54.704 93.302 -99.200 -91.000 TYR 103 0.840 23.323 49.922 91.248 -99.200 -91.000 HIS 110 0.900 20.386 41.565 83.879 -99.200 -91.000 TYR 114 0.840 16.399 40.913 94.100 -99.200 -91.000 PHE 115 1.000 11.516 40.921 93.006 -99.200 -91.000 HIS 124 0.900 9.630 30.308 106.314 -99.200 -91.000 TYR 127 0.840 3.469 37.191 101.642 -99.200 -91.000 TYR 129 0.840 7.822 47.491 100.351 -99.200 -91.000 TYR 131 0.840 7.730 53.128 98.469 -99.200 -91.000 PHE 150 1.000 6.966 37.990 93.561 -99.200 -91.000 HIS 162 0.900 0.967 48.811 89.848 -99.200 -91.000 TYR 166 0.840 0.575 43.792 91.716 -99.200 -91.000 TYR 176 0.840 -1.528 41.467 102.395 -99.200 -91.000 TYR 201 0.840 1.179 57.066 113.349 -99.200 -91.000 PHE 226 1.000 -12.894 60.864 103.989 -99.200 -91.000 HIS 228 0.900 -4.689 56.234 110.250 -99.200 -91.000 PHE 238 1.000 7.783 69.834 111.528 -99.200 -91.000 TYR 245 0.840 11.775 55.954 114.855 -99.200 -91.000 TYR 250 0.840 0.048 63.123 121.364 -99.200 -91.000 PHE 251 1.000 -2.016 59.656 118.150 -99.200 -91.000 TYR 254 0.840 4.874 51.287 122.866 -99.200 -91.000 TYR 258 0.840 17.383 58.997 120.199 -99.200 -91.000 PHE 264 1.000 20.393 63.804 110.114 -99.200 -91.000