============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 13 1.000 -0.885 29.517 71.383 -99.200 -91.000 PHE 40 1.000 25.330 23.079 67.954 -99.200 -91.000 TYR 43 0.840 16.527 21.405 73.345 -99.200 -91.000 PHE 44 1.000 11.038 18.856 67.042 -99.200 -91.000 HIS 46 0.900 4.938 18.789 69.629 -99.200 -91.000 PHE 56 1.000 6.016 22.972 65.612 -99.200 -91.000 TYR 71 0.840 19.697 26.931 72.394 -99.200 -91.000 TYR 87 0.840 15.498 34.963 63.299 -99.200 -91.000 PHE 100 1.000 21.403 31.582 78.522 -99.200 -91.000 TYR 103 0.840 18.550 39.859 70.992 -99.200 -91.000 TYR 131 0.840 19.858 30.287 84.045 -99.200 -91.000 PHE 138 1.000 22.917 33.525 99.313 -99.200 -91.000 HIS 155 0.900 -4.950 44.324 81.267 -99.200 -91.000 HIS 166 0.900 24.033 53.294 77.740 -99.200 -91.000 TRP 173 1.040 17.477 42.597 86.658 -99.200 -91.000 TRP6 173 1.020 19.357 41.165 86.681 -99.200 -91.000 TRP 191 1.040 16.996 20.548 104.183 -99.200 -91.000 TRP6 191 1.020 18.753 19.854 102.759 -99.200 -91.000 TYR 198 0.840 18.541 23.930 99.590 -99.200 -91.000 PHE 202 1.000 7.526 21.857 89.448 -99.200 -91.000 HIS 203 0.900 0.104 21.784 88.746 -99.200 -91.000 PHE 214 1.000 12.948 26.912 85.213 -99.200 -91.000 HIS 218 0.900 6.449 41.099 90.741 -99.200 -91.000 TYR 224 0.840 -0.019 34.769 88.268 -99.200 -91.000 PHE 229 1.000 11.810 23.228 81.636 -99.200 -91.000 PHE 237 1.000 13.423 18.362 79.814 -99.200 -91.000 TYR 241 0.840 2.473 30.041 77.771 -99.200 -91.000 TYR 243 0.840 -1.058 39.606 81.677 -99.200 -91.000 PHE 251 1.000 10.763 26.091 72.557 -99.200 -91.000 PHE 258 1.000 16.017 22.183 77.705 -99.200 -91.000