============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 10 0.900 44.784 -29.058 91.827 -99.200 -91.000 PHE 13 1.000 48.276 -22.327 82.373 -99.200 -91.000 HIS 19 0.900 42.928 -8.240 77.058 -99.200 -91.000 PHE 30 1.000 28.513 -18.101 73.538 -99.200 -91.000 PHE 35 1.000 32.551 -29.395 69.963 -99.200 -91.000 PHE 81 1.000 41.402 -34.135 80.802 -99.200 -91.000 TYR 87 0.840 36.892 -33.797 69.771 -99.200 -91.000 TRP 89 1.040 39.049 -31.101 65.704 -99.200 -91.000 TRP6 89 1.020 37.926 -29.672 67.247 -99.200 -91.000 TYR 104 0.840 54.264 -20.760 66.304 -99.200 -91.000 HIS 105 0.900 52.096 -26.712 69.820 -99.200 -91.000 PHE 120 1.000 33.772 -26.374 64.085 -99.200 -91.000 PHE 125 1.000 41.252 -18.615 64.782 -99.200 -91.000 TYR 144 0.840 46.820 -12.627 48.846 -99.200 -91.000 HIS 153 0.900 36.765 -22.148 48.659 -99.200 -91.000 HIS 154 0.900 36.982 -23.850 53.233 -99.200 -91.000 PHE 161 1.000 39.938 -8.500 71.246 -99.200 -91.000 PHE 168 1.000 47.664 -14.757 75.555 -99.200 -91.000 PHE 169 1.000 51.545 -18.022 85.318 -99.200 -91.000 TRP 175 1.040 52.314 -6.831 71.222 -99.200 -91.000 TRP6 175 1.020 50.570 -5.236 71.555 -99.200 -91.000 PHE 193 1.000 42.067 -23.101 48.371 -99.200 -91.000 PHE 200 1.000 50.235 -17.278 46.612 -99.200 -91.000 TYR 216 0.840 48.866 -25.583 36.594 -99.200 -91.000 PHE 244 1.000 45.652 -17.418 42.749 -99.200 -91.000