============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 25 1.000 18.845 24.714 75.574 -99.200 -91.000 HIS 36 0.900 6.935 19.078 69.601 -99.200 -91.000 TYR 60 0.840 24.748 35.534 65.498 -99.200 -91.000 TYR 70 0.840 20.398 16.709 81.446 -99.200 -91.000 TYR 88 0.840 25.672 25.960 94.112 -99.200 -91.000 TYR 93 0.840 7.423 23.601 91.699 -99.200 -91.000 TRP 108 1.040 27.766 20.166 89.929 -99.200 -91.000 TRP6 108 1.020 29.712 20.704 88.684 -99.200 -91.000 PHE 123 1.000 19.769 28.129 94.584 -99.200 -91.000 TYR 126 0.840 10.397 27.749 91.335 -99.200 -91.000 TYR 127 0.840 10.933 34.905 99.488 -99.200 -91.000 TYR 142 0.840 20.037 25.983 100.068 -99.200 -91.000 PHE 157 1.000 23.723 34.344 94.883 -99.200 -91.000 PHE 158 1.000 24.668 37.411 86.734 -99.200 -91.000 TYR 164 0.840 5.834 29.612 95.515 -99.200 -91.000 PHE 176 1.000 1.283 34.818 90.529 -99.200 -91.000 PHE 190 1.000 15.609 36.643 98.751 -99.200 -91.000 PHE 195 1.000 18.953 37.880 101.952 -99.200 -91.000 TYR 209 0.840 -4.317 37.959 81.940 -99.200 -91.000 PHE 213 1.000 1.815 45.492 74.968 -99.200 -91.000 TYR 220 0.840 -1.339 44.190 85.205 -99.200 -91.000 HIS 228 0.900 1.644 47.547 88.997 -99.200 -91.000 PHE 229 1.000 7.512 46.707 82.905 -99.200 -91.000 HIS 237 0.900 21.448 47.900 96.455 -99.200 -91.000 TYR 240 0.840 15.960 46.205 87.049 -99.200 -91.000 TYR 242 0.840 12.882 43.352 82.917 -99.200 -91.000 PHE 252 1.000 12.543 39.010 76.858 -99.200 -91.000 PHE 258 1.000 4.193 49.110 78.930 -99.200 -91.000 HIS 260 0.900 14.412 52.974 76.880 -99.200 -91.000 PHE 266 1.000 15.677 46.399 79.739 -99.200 -91.000 TRP 276 1.040 16.870 28.330 73.799 -99.200 -91.000 TRP6 276 1.020 15.487 26.623 74.683 -99.200 -91.000 TYR 283 0.840 18.212 17.369 68.689 -99.200 -91.000 TRP 294 1.040 13.668 27.076 63.825 -99.200 -91.000 TRP6 294 1.020 14.350 28.183 65.816 -99.200 -91.000 PHE 300 1.000 21.278 36.550 62.151 -99.200 -91.000 TRP 317 1.040 28.180 45.436 84.300 -99.200 -91.000 TRP6 317 1.020 29.293 45.523 86.403 -99.200 -91.000