============================================================================= 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 17.985 31.645 85.224 -99.200 -91.000 TYR 14 0.840 13.727 39.836 75.121 -99.200 -91.000 TYR 22 0.840 -1.324 47.701 90.645 -99.200 -91.000 HIS 23 0.900 4.984 43.722 86.845 -99.200 -91.000 PHE 24 1.000 -1.322 46.101 84.135 -99.200 -91.000 TRP 34 1.040 3.565 50.064 67.025 -99.200 -91.000 TRP6 34 1.020 1.287 49.772 67.332 -99.200 -91.000 HIS 40 0.900 -6.194 37.571 81.759 -99.200 -91.000 TYR 42 0.840 -8.065 47.706 77.169 -99.200 -91.000 HIS 53 0.900 18.065 43.125 87.567 -99.200 -91.000 PHE 64 1.000 9.493 54.552 85.215 -99.200 -91.000 HIS 73 0.900 -6.745 38.622 66.932 -99.200 -91.000 PHE 76 1.000 -9.025 38.673 75.444 -99.200 -91.000 TRP 121 1.040 10.423 42.613 87.425 -99.200 -91.000 TRP6 121 1.020 10.456 43.379 85.195 -99.200 -91.000 TYR 152 0.840 -3.985 23.393 81.239 -99.200 -91.000 PHE 165 1.000 10.763 22.457 83.054 -99.200 -91.000 TRP 193 1.040 -4.910 29.598 79.074 -99.200 -91.000 TRP6 193 1.020 -5.719 27.490 79.825 -99.200 -91.000 TYR 195 0.840 -6.135 24.005 88.782 -99.200 -91.000 TYR 206 0.840 3.974 30.079 78.570 -99.200 -91.000 TYR 212 0.840 -2.524 35.284 67.225 -99.200 -91.000 TRP 215 1.040 -3.934 41.470 64.482 -99.200 -91.000 TRP6 215 1.020 -3.054 41.875 66.621 -99.200 -91.000