============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 10 0.900 17.334 58.536 61.941 -99.200 -91.000 TYR 25 0.840 39.132 60.695 60.642 -99.200 -91.000 PHE 26 1.000 45.374 52.420 58.189 -99.200 -91.000 HIS 28 0.900 43.688 62.972 55.718 -99.200 -91.000 TYR 32 0.840 49.051 63.930 59.432 -99.200 -91.000 TRP 35 1.040 54.259 63.822 53.658 -99.200 -91.000 TRP6 35 1.020 52.124 64.773 54.003 -99.200 -91.000 HIS 43 0.900 45.237 62.515 67.945 -99.200 -91.000 TYR 45 0.840 47.246 52.699 63.966 -99.200 -91.000 HIS 46 0.900 46.758 54.610 68.785 -99.200 -91.000 HIS 54 0.900 33.255 56.011 67.488 -99.200 -91.000 PHE 64 1.000 19.252 43.090 70.327 -99.200 -91.000 HIS 82 0.900 48.425 71.978 52.826 -99.200 -91.000 TYR 107 0.840 12.751 58.029 64.066 -99.200 -91.000 TYR 114 0.840 13.521 55.327 76.002 -99.200 -91.000 HIS 130 0.900 39.152 63.235 65.081 -99.200 -91.000 TRP 133 1.040 44.468 66.133 68.891 -99.200 -91.000 TRP6 133 1.020 45.012 65.815 66.607 -99.200 -91.000 TYR 149 0.840 50.772 71.230 64.695 -99.200 -91.000