============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 5 1.000 36.877 15.408 101.713 -99.200 -91.000 TRP 14 1.040 43.278 3.330 98.643 -99.200 -91.000 TRP6 14 1.020 44.918 4.463 99.919 -99.200 -91.000 TYR 19 0.840 37.676 5.100 82.067 -99.200 -91.000 TYR 20 0.840 31.808 -2.275 77.925 -99.200 -91.000 HIS 24 0.900 33.789 5.744 86.886 -99.200 -91.000 TRP 35 1.040 45.333 -11.285 91.796 -99.200 -91.000 TRP6 35 1.020 43.465 -12.339 90.805 -99.200 -91.000 HIS 41 0.900 26.533 -3.367 91.962 -99.200 -91.000 TYR 43 0.840 28.205 -10.290 83.979 -99.200 -91.000 TYR 47 0.840 34.625 -6.497 83.892 -99.200 -91.000 TRP 50 1.040 42.066 4.812 82.208 -99.200 -91.000 TRP6 50 1.020 44.101 5.701 81.379 -99.200 -91.000 PHE 57 1.000 35.040 14.304 82.431 -99.200 -91.000 HIS 65 0.900 44.425 1.347 79.284 -99.200 -91.000 PHE 72 1.000 39.195 -15.512 88.025 -99.200 -91.000 HIS 74 0.900 31.429 -15.104 97.317 -99.200 -91.000 PHE 77 1.000 25.421 -9.774 93.112 -99.200 -91.000 PHE 91 1.000 20.243 -6.823 95.041 -99.200 -91.000 TRP 131 1.040 36.840 10.164 89.472 -99.200 -91.000 TRP6 131 1.020 38.189 8.285 89.973 -99.200 -91.000 TRP 138 1.040 21.895 8.974 87.516 -99.200 -91.000 TRP6 138 1.020 21.378 8.677 89.827 -99.200 -91.000 PHE 148 1.000 36.971 11.862 106.594 -99.200 -91.000 TYR 161 0.840 18.593 -0.101 102.366 -99.200 -91.000 TYR 202 0.840 21.842 -2.908 98.246 -99.200 -91.000 TYR 216 0.840 29.348 1.630 102.131 -99.200 -91.000 PHE 222 1.000 32.053 -11.845 101.283 -99.200 -91.000 TRP 225 1.040 35.662 -16.681 97.086 -99.200 -91.000 TRP6 225 1.020 35.672 -14.707 95.776 -99.200 -91.000