============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 16 1.000 32.086 80.749 35.618 -99.200 -91.000 HIS 44 0.900 31.106 57.722 42.433 -99.200 -91.000 TYR 47 0.840 31.302 60.379 34.498 -99.200 -91.000 PHE 50 1.000 29.575 55.373 30.898 -99.200 -91.000 TYR 59 0.840 39.119 50.639 24.692 -99.200 -91.000 PHE 66 1.000 34.742 56.421 31.161 -99.200 -91.000 HIS 76 0.900 32.524 68.435 40.740 -99.200 -91.000 TYR 81 0.840 26.146 65.629 53.315 -99.200 -91.000 TYR 91 0.840 20.558 66.129 51.221 -99.200 -91.000 TYR 102 0.840 24.627 50.938 26.651 -99.200 -91.000 TYR 117 0.840 22.260 69.202 31.925 -99.200 -91.000 TYR 123 0.840 27.389 71.871 38.692 -99.200 -91.000 PHE 126 1.000 21.066 73.544 39.505 -99.200 -91.000 HIS 140 0.900 34.303 78.668 46.608 -99.200 -91.000 PHE 142 1.000 24.987 75.200 42.885 -99.200 -91.000 HIS 152 0.900 35.403 66.377 35.603 -99.200 -91.000 TYR 156 0.840 34.680 61.639 30.636 -99.200 -91.000 TYR 160 0.840 34.943 59.432 20.204 -99.200 -91.000 PHE 171 1.000 43.753 60.093 32.580 -99.200 -91.000 HIS 172 0.900 49.235 63.007 38.337 -99.200 -91.000 TYR 179 0.840 43.284 70.764 36.457 -99.200 -91.000 HIS 181 0.900 47.894 68.489 33.329 -99.200 -91.000 PHE 186 1.000 49.518 68.569 37.554 -99.200 -91.000 PHE 193 1.000 45.556 80.163 41.487 -99.200 -91.000 PHE 199 1.000 46.203 68.418 41.298 -99.200 -91.000 TYR 202 0.840 41.964 58.753 40.939 -99.200 -91.000