============================================================================= 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 5 1.000 35.146 38.718 36.459 -99.200 -91.000 HIS 7 0.900 41.914 29.799 35.463 -99.200 -91.000 PHE 9 1.000 45.816 29.078 33.503 -99.200 -91.000 PHE 14 1.000 39.351 38.506 31.880 -99.200 -91.000 PHE 23 1.000 30.488 40.354 45.781 -99.200 -91.000 PHE 35 1.000 19.138 40.506 60.217 -99.200 -91.000 PHE 49 1.000 15.317 40.010 73.139 -99.200 -91.000 PHE 64 1.000 28.139 31.071 64.687 -99.200 -91.000 HIS 73 0.900 23.361 17.448 55.685 -99.200 -91.000 HIS 102 0.900 16.458 34.164 61.954 -99.200 -91.000 PHE 103 1.000 10.320 37.327 68.820 -99.200 -91.000 HIS 132 0.900 44.141 56.596 41.002 -99.200 -91.000 HIS 146 0.900 45.464 72.768 24.142 -99.200 -91.000 TYR 152 0.840 39.892 57.224 11.825 -99.200 -91.000 TRP 170 1.040 37.857 57.753 25.668 -99.200 -91.000 TRP6 170 1.020 40.128 58.251 25.283 -99.200 -91.000 HIS 177 0.900 28.670 56.153 33.809 -99.200 -91.000 PHE 184 1.000 21.640 52.093 44.403 -99.200 -91.000 PHE 189 1.000 24.677 50.396 48.495 -99.200 -91.000 PHE 193 1.000 13.471 43.143 61.399 -99.200 -91.000 TRP 226 1.040 14.481 45.830 50.655 -99.200 -91.000 TRP6 226 1.020 16.311 44.690 49.685 -99.200 -91.000 HIS 227 0.900 10.904 39.764 52.931 -99.200 -91.000 PHE 236 1.000 25.324 48.282 43.235 -99.200 -91.000 PHE 250 1.000 40.352 54.383 28.257 -99.200 -91.000 PHE 282 1.000 30.160 38.591 32.850 -99.200 -91.000 HIS 291 0.900 16.385 45.751 34.184 -99.200 -91.000 TRP 305 1.040 16.542 36.032 47.336 -99.200 -91.000 TRP6 305 1.020 16.195 34.589 49.188 -99.200 -91.000 TRP 309 1.040 20.755 34.302 46.057 -99.200 -91.000 TRP6 309 1.020 20.263 32.300 47.221 -99.200 -91.000