============================================================================= 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 5 0.840 53.536 88.757 -4.051 -99.200 -91.000 PHE 12 1.000 55.193 93.536 5.609 -99.200 -91.000 PHE 19 1.000 48.371 94.657 -2.323 -99.200 -91.000 TYR 23 0.840 42.315 93.107 -1.398 -99.200 -91.000 TYR 65 0.840 27.086 102.360 18.486 -99.200 -91.000 HIS 70 0.900 35.596 110.487 29.988 -99.200 -91.000 TYR 100 0.840 46.020 102.840 35.443 -99.200 -91.000 PHE 116 1.000 40.977 93.215 20.503 -99.200 -91.000 TYR 120 0.840 41.819 90.060 16.877 -99.200 -91.000 TYR 123 0.840 50.148 87.559 16.617 -99.200 -91.000 PHE 129 1.000 38.195 93.207 15.712 -99.200 -91.000 TYR 145 0.840 42.475 110.639 19.818 -99.200 -91.000 TYR 156 0.840 41.655 112.956 10.636 -99.200 -91.000 PHE 171 1.000 31.003 121.981 3.456 -99.200 -91.000 PHE 172 1.000 33.500 118.684 8.191 -99.200 -91.000 TYR 176 0.840 37.432 122.621 11.681 -99.200 -91.000 PHE 182 1.000 27.799 121.966 20.667 -99.200 -91.000 TYR 210 0.840 25.735 117.918 23.002 -99.200 -91.000 PHE 218 1.000 26.773 110.465 23.976 -99.200 -91.000 TYR 229 0.840 21.713 123.350 16.584 -99.200 -91.000