============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 9 0.840 66.524 66.303 -94.796 -99.200 -91.000 PHE 19 1.000 63.528 67.666 -82.123 -99.200 -91.000 PHE 30 1.000 67.335 63.154 -90.786 -99.200 -91.000 HIS 35 0.900 57.041 69.847 -96.045 -99.200 -91.000 PHE 52 1.000 62.408 61.714 -96.424 -99.200 -91.000 PHE 57 1.000 52.678 67.302 -97.366 -99.200 -91.000 PHE 64 1.000 63.761 56.903 -88.212 -99.200 -91.000 PHE 71 1.000 71.914 59.482 -91.441 -99.200 -91.000 TYR 80 0.840 71.454 76.699 -88.371 -99.200 -91.000 TYR 84 0.840 75.882 72.692 -81.898 -99.200 -91.000 TRP 108 1.040 67.654 79.669 -81.529 -99.200 -91.000 TRP6 108 1.020 67.087 77.481 -80.822 -99.200 -91.000 TYR 109 0.840 64.621 84.121 -87.234 -99.200 -91.000 TYR 122 0.840 50.996 72.826 -95.160 -99.200 -91.000 HIS 128 0.900 44.857 64.980 -89.245 -99.200 -91.000 PHE 146 1.000 58.549 75.121 -84.762 -99.200 -91.000 PHE 170 1.000 49.689 76.827 -88.754 -99.200 -91.000 TYR 171 0.840 55.204 72.432 -82.768 -99.200 -91.000 TRP 181 1.040 55.647 56.019 -88.186 -99.200 -91.000 TRP6 181 1.020 56.257 58.122 -89.083 -99.200 -91.000