============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 3 1.000 47.069 15.987 64.389 -99.200 -91.000 HIS 28 0.900 55.515 20.476 67.098 -99.200 -91.000 TYR 35 0.840 52.229 6.873 69.496 -99.200 -91.000 PHE 67 1.000 49.594 -6.533 75.904 -99.200 -91.000 PHE 73 1.000 47.621 -4.308 64.324 -99.200 -91.000 HIS 74 0.900 42.169 -8.846 59.403 -99.200 -91.000 PHE 107 1.000 63.250 -1.666 44.467 -99.200 -91.000 PHE 110 1.000 65.133 9.983 34.355 -99.200 -91.000 HIS 119 0.900 55.596 15.329 39.745 -99.200 -91.000 TYR 140 0.840 56.834 16.181 45.708 -99.200 -91.000 PHE 147 1.000 56.068 19.312 42.981 -99.200 -91.000 PHE 159 1.000 42.519 11.894 40.370 -99.200 -91.000 TYR 172 0.840 59.327 22.160 45.844 -99.200 -91.000 TYR 176 0.840 68.875 23.979 47.784 -99.200 -91.000 HIS 180 0.900 67.430 22.548 53.209 -99.200 -91.000 PHE 197 1.000 50.753 19.507 55.459 -99.200 -91.000 TYR 209 0.840 74.287 7.451 46.680 -99.200 -91.000 HIS 219 0.900 72.625 12.829 58.445 -99.200 -91.000 PHE 223 1.000 64.658 12.076 55.644 -99.200 -91.000 PHE 234 1.000 52.172 15.674 63.086 -99.200 -91.000 TYR 249 0.840 64.884 -2.588 61.072 -99.200 -91.000 PHE 257 1.000 56.888 1.879 40.953 -99.200 -91.000 PHE 282 1.000 52.960 2.355 36.969 -99.200 -91.000 TYR 285 0.840 47.461 6.910 30.239 -99.200 -91.000