============================================================================= 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 5 1.000 8.776 11.799 3.679 -99.200 -91.000 PHE 8 1.000 9.174 10.053 -5.505 -99.200 -91.000 TYR 10 0.840 -0.763 5.071 -7.194 -99.200 -91.000 PHE 11 1.000 8.485 5.626 -7.758 -99.200 -91.000 TYR 12 0.840 8.732 -0.274 -6.482 -99.200 -91.000 PHE 33 1.000 4.980 -12.253 -10.794 -99.200 -91.000 PHE 37 1.000 4.324 -21.096 -5.017 -99.200 -91.000 TYR 48 0.840 -3.187 4.739 -2.013 -99.200 -91.000 PHE 53 1.000 -11.580 -4.436 -4.393 -99.200 -91.000 TYR 73 0.840 -2.621 -9.758 -9.385 -99.200 -91.000 TYR 81 0.840 8.777 -0.282 -10.779 -99.200 -91.000 TYR 95 0.840 10.876 22.516 -6.992 -99.200 -91.000 TYR 108 0.840 12.863 12.666 5.298 -99.200 -91.000 TYR 118 0.840 6.139 25.070 9.478 -99.200 -91.000 TYR 122 0.840 -0.481 23.999 1.016 -99.200 -91.000 PHE 150 1.000 6.335 15.579 15.092 -99.200 -91.000 PHE 210 1.000 17.885 7.279 27.985 -99.200 -91.000 TYR 224 0.840 12.723 8.613 16.446 -99.200 -91.000 TYR 233 0.840 14.387 13.892 14.648 -99.200 -91.000 TYR 264 0.840 18.772 -20.539 -6.871 -99.200 -91.000 PHE 266 1.000 29.152 -19.213 -6.377 -99.200 -91.000 TYR 273 0.840 32.554 -7.040 -6.054 -99.200 -91.000 TYR 274 0.840 25.430 -3.739 -12.714 -99.200 -91.000 HIS 285 0.900 27.622 -9.558 7.715 -99.200 -91.000 PHE 302 1.000 37.453 -11.000 3.844 -99.200 -91.000 HIS 304 0.900 44.078 -3.806 3.953 -99.200 -91.000 TYR 312 0.840 31.588 -14.982 -7.790 -99.200 -91.000 PHE 337 1.000 29.344 -8.230 -1.461 -99.200 -91.000 PHE 340 1.000 29.225 -0.294 0.546 -99.200 -91.000