============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 60.052 -1.451 18.487 -99.200 -91.000 TYR 14 0.840 55.282 11.067 21.085 -99.200 -91.000 TYR 22 0.840 50.394 2.968 41.809 -99.200 -91.000 HIS 23 0.900 53.304 3.793 33.867 -99.200 -91.000 PHE 24 1.000 47.952 6.881 37.621 -99.200 -91.000 TRP 34 1.040 47.218 22.994 29.003 -99.200 -91.000 TRP6 34 1.020 45.283 22.510 30.227 -99.200 -91.000 HIS 40 0.900 40.843 3.731 31.152 -99.200 -91.000 TYR 42 0.840 40.150 12.484 38.479 -99.200 -91.000 PHE 64 1.000 60.553 12.198 38.735 -99.200 -91.000 HIS 73 0.900 34.086 15.096 26.427 -99.200 -91.000 TYR 76 0.840 35.102 8.298 31.543 -99.200 -91.000 TRP 121 1.040 57.872 2.958 30.946 -99.200 -91.000 TRP6 121 1.020 57.252 5.147 30.345 -99.200 -91.000 TYR 131 0.840 52.376 -4.220 35.178 -99.200 -91.000 TYR 152 0.840 36.653 -5.402 20.966 -99.200 -91.000 PHE 161 1.000 42.310 4.840 16.425 -99.200 -91.000 TYR 165 0.840 50.116 -6.235 14.278 -99.200 -91.000 TRP 193 1.040 37.163 0.187 25.028 -99.200 -91.000 TRP6 193 1.020 36.095 -1.714 24.182 -99.200 -91.000 TYR 206 0.840 44.521 1.546 20.516 -99.200 -91.000 TYR 212 0.840 36.903 13.128 21.831 -99.200 -91.000 TRP 215 1.040 36.187 19.215 25.340 -99.200 -91.000 TRP6 215 1.020 37.771 17.914 26.497 -99.200 -91.000