============================================================================= 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 3 0.840 13.631 26.634 30.337 -99.200 -91.000 PHE 4 1.000 10.756 33.249 25.698 -99.200 -91.000 PHE 17 1.000 13.532 21.891 5.839 -99.200 -91.000 TYR 26 0.840 0.163 30.196 7.021 -99.200 -91.000 PHE 28 1.000 7.811 32.652 10.826 -99.200 -91.000 HIS 32 0.900 21.181 29.141 18.451 -99.200 -91.000 TYR 43 0.840 16.789 29.279 20.692 -99.200 -91.000 PHE 46 1.000 12.457 30.687 15.248 -99.200 -91.000 PHE 49 1.000 6.798 35.609 14.830 -99.200 -91.000 TYR 51 0.840 5.318 32.987 25.976 -99.200 -91.000 TYR 57 0.840 8.920 22.552 13.903 -99.200 -91.000 TYR 58 0.840 16.498 24.740 18.493 -99.200 -91.000 TYR 70 0.840 16.891 18.945 1.958 -99.200 -91.000 HIS 79 0.900 25.136 28.056 7.177 -99.200 -91.000 PHE 85 1.000 16.263 29.737 5.304 -99.200 -91.000 TYR 86 0.840 5.822 32.455 7.204 -99.200 -91.000 PHE 87 1.000 11.026 26.597 4.486 -99.200 -91.000 TRP 93 1.040 10.932 37.247 6.104 -99.200 -91.000 TRP6 93 1.020 11.869 36.159 7.982 -99.200 -91.000 HIS 97 0.900 24.751 37.231 10.023 -99.200 -91.000