============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 4 0.840 7.565 44.236 8.098 -99.200 -91.000 TYR 11 0.840 14.743 47.625 9.003 -99.200 -91.000 TYR 24 0.840 14.993 29.279 2.345 -99.200 -91.000 HIS 27 0.900 17.844 26.806 7.008 -99.200 -91.000 TYR 38 0.840 22.757 36.347 14.000 -99.200 -91.000 HIS 40 0.900 21.405 32.394 15.908 -99.200 -91.000 TYR 42 0.840 12.739 34.101 17.560 -99.200 -91.000 TYR 45 0.840 13.987 30.199 24.197 -99.200 -91.000 PHE 48 1.000 7.723 38.183 19.310 -99.200 -91.000 PHE 50 1.000 7.100 34.821 14.774 -99.200 -91.000 TYR 56 0.840 8.511 30.152 13.695 -99.200 -91.000 TYR 57 0.840 15.872 27.700 10.428 -99.200 -91.000 TRP 59 1.040 19.845 37.435 7.213 -99.200 -91.000 TRP6 59 1.020 22.031 36.622 7.144 -99.200 -91.000 TYR 68 0.840 25.371 39.800 10.283 -99.200 -91.000 PHE 80 1.000 15.303 32.584 7.180 -99.200 -91.000 HIS 92 0.900 17.934 41.437 20.753 -99.200 -91.000 PHE 100 1.000 15.176 39.007 19.188 -99.200 -91.000