============================================================================= 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. TYR 3 0.840 59.795 -25.162 22.775 -99.200 -91.000 TYR 7 0.840 59.671 -23.991 39.027 -99.200 -91.000 PHE 8 1.000 63.783 -21.873 42.704 -99.200 -91.000 TRP 28 1.040 61.175 -29.842 29.039 -99.200 -91.000 TRP6 28 1.020 59.553 -31.513 28.652 -99.200 -91.000 TRP 38 1.040 66.474 -18.078 44.356 -99.200 -91.000 TRP6 38 1.020 66.088 -17.316 42.136 -99.200 -91.000 TYR 49 0.840 58.139 -9.349 35.646 -99.200 -91.000 PHE 55 1.000 59.766 -22.215 27.544 -99.200 -91.000 TYR 63 0.840 63.034 -13.926 33.093 -99.200 -91.000 HIS 71 0.900 56.487 -18.332 22.811 -99.200 -91.000 TYR 79 0.840 45.669 -18.198 23.497 -99.200 -91.000 TYR 103 0.840 48.198 -26.319 46.031 -99.200 -91.000 TYR 108 0.840 55.443 -22.872 48.796 -99.200 -91.000 TYR 111 0.840 48.882 -28.553 54.505 -99.200 -91.000 TYR 118 0.840 42.588 -24.102 49.279 -99.200 -91.000 PHE 129 1.000 38.198 -23.959 37.076 -99.200 -91.000 PHE 142 1.000 40.444 -31.898 23.912 -99.200 -91.000 PHE 150 1.000 46.734 -20.828 27.246 -99.200 -91.000 TYR 153 0.840 48.384 -29.891 27.614 -99.200 -91.000 HIS 162 0.900 43.363 -27.389 44.264 -99.200 -91.000 PHE 173 1.000 32.443 -30.304 41.827 -99.200 -91.000 TYR 179 0.840 39.341 -31.499 31.466 -99.200 -91.000 PHE 192 1.000 56.082 -34.897 32.134 -99.200 -91.000 TYR 198 0.840 53.751 -35.355 37.356 -99.200 -91.000