============================================================================= 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 6 1.000 25.311 17.085 2.873 -99.200 -91.000 TYR 9 0.840 33.627 19.202 11.527 -99.200 -91.000 HIS 12 0.900 42.820 15.986 13.279 -99.200 -91.000 HIS 16 0.900 36.458 19.011 18.900 -99.200 -91.000 PHE 18 1.000 25.002 21.869 16.503 -99.200 -91.000 PHE 19 1.000 27.860 22.903 11.552 -99.200 -91.000 TYR 27 0.840 22.146 22.230 11.403 -99.200 -91.000 PHE 35 1.000 24.751 41.657 1.980 -99.200 -91.000 TYR 41 0.840 20.545 39.285 1.862 -99.200 -91.000 PHE 49 1.000 19.710 13.096 6.688 -99.200 -91.000 PHE 65 1.000 20.022 44.672 1.529 -99.200 -91.000 HIS 74 0.900 20.503 42.359 -9.548 -99.200 -91.000 TYR 78 0.840 27.135 33.350 -11.414 -99.200 -91.000 TYR 80 0.840 30.940 32.825 -2.131 -99.200 -91.000 HIS 83 0.900 33.687 31.692 3.432 -99.200 -91.000 TYR 86 0.840 37.996 32.224 11.465 -99.200 -91.000 PHE 100 1.000 30.432 32.926 7.651 -99.200 -91.000 HIS 104 0.900 29.063 38.704 -1.540 -99.200 -91.000 HIS 116 0.900 27.815 35.985 5.840 -99.200 -91.000 TYR 117 0.840 26.178 36.323 16.300 -99.200 -91.000 HIS 134 0.900 35.232 23.443 14.673 -99.200 -91.000 TYR 135 0.840 40.561 27.259 10.087 -99.200 -91.000 HIS 152 0.900 20.938 28.981 -14.605 -99.200 -91.000 PHE 158 1.000 35.439 20.138 -4.010 -99.200 -91.000