============================================================================= 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. HIS 4 0.900 119.559 96.465 27.318 -99.200 -91.000 PHE 12 1.000 128.599 95.838 17.736 -99.200 -91.000 TYR 27 0.840 142.360 108.701 22.748 -99.200 -91.000 PHE 32 1.000 145.422 103.392 20.079 -99.200 -91.000 PHE 48 1.000 132.685 105.088 18.010 -99.200 -91.000 TYR 52 0.840 146.214 97.868 15.300 -99.200 -91.000 HIS 62 0.900 132.778 97.435 30.463 -99.200 -91.000 TYR 72 0.840 125.623 97.883 27.097 -99.200 -91.000 PHE 80 1.000 124.230 92.992 17.614 -99.200 -91.000 HIS 97 0.900 157.589 95.965 45.770 -99.200 -91.000 PHE 120 1.000 130.273 76.199 39.086 -99.200 -91.000 HIS 123 0.900 128.315 74.081 45.457 -99.200 -91.000 PHE 125 1.000 132.778 80.058 36.514 -99.200 -91.000 PHE 131 1.000 147.679 79.262 28.166 -99.200 -91.000 PHE 154 1.000 137.129 91.883 45.408 -99.200 -91.000 PHE 159 1.000 135.587 104.088 42.789 -99.200 -91.000 TYR 160 0.840 132.949 106.349 46.174 -99.200 -91.000 PHE 167 1.000 139.933 98.581 49.330 -99.200 -91.000 TYR 173 0.840 144.512 85.090 50.630 -99.200 -91.000 TYR 186 0.840 137.810 87.108 32.928 -99.200 -91.000 PHE 192 1.000 124.497 83.728 27.667 -99.200 -91.000 HIS 205 0.900 149.167 101.912 45.595 -99.200 -91.000 HIS 209 0.900 144.848 107.492 50.643 -99.200 -91.000 PHE 221 1.000 144.544 105.355 32.542 -99.200 -91.000