============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 36.847 18.042 97.758 -99.200 -91.000 TYR 16 0.840 39.015 37.209 85.015 -99.200 -91.000 PHE 17 1.000 46.296 29.673 87.020 -99.200 -91.000 PHE 56 1.000 34.977 25.781 86.008 -99.200 -91.000 TYR 67 0.840 22.544 43.813 82.278 -99.200 -91.000 TYR 68 0.840 26.433 42.290 77.744 -99.200 -91.000 TYR 70 0.840 20.177 37.649 87.108 -99.200 -91.000 PHE 78 1.000 26.251 33.876 78.557 -99.200 -91.000 TYR 93 0.840 41.202 42.798 88.543 -99.200 -91.000 HIS 98 0.900 45.763 45.869 78.595 -99.200 -91.000 TYR 138 0.840 37.409 52.663 66.387 -99.200 -91.000 PHE 142 1.000 35.581 38.875 66.181 -99.200 -91.000 PHE 169 1.000 40.733 43.842 69.632 -99.200 -91.000 TYR 170 0.840 44.564 38.721 78.193 -99.200 -91.000 TYR 205 0.840 27.487 46.044 72.284 -99.200 -91.000 PHE 207 1.000 27.093 46.374 82.157 -99.200 -91.000 TYR 208 0.840 32.908 48.409 76.240 -99.200 -91.000 PHE 211 1.000 42.216 52.040 83.573 -99.200 -91.000 TYR 218 0.840 51.219 46.729 79.813 -99.200 -91.000 TYR 246 0.840 29.393 34.719 107.806 -99.200 -91.000 PHE 248 1.000 35.346 31.893 98.666 -99.200 -91.000 PHE 253 1.000 36.488 39.063 99.163 -99.200 -91.000 PHE 259 1.000 40.894 39.887 97.862 -99.200 -91.000 HIS 263 0.900 47.770 40.957 89.774 -99.200 -91.000 PHE 269 1.000 43.163 50.000 89.731 -99.200 -91.000 PHE 270 1.000 38.403 44.030 97.532 -99.200 -91.000 HIS 284 0.900 25.344 32.689 97.766 -99.200 -91.000 PHE 290 1.000 32.845 39.595 104.471 -99.200 -91.000 TYR 291 0.840 30.342 42.406 100.454 -99.200 -91.000