============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 24 1.000 2.523 30.752 59.481 -99.200 -91.000 HIS 34 0.900 -3.399 28.583 65.673 -99.200 -91.000 PHE 49 1.000 -6.620 28.022 67.741 -99.200 -91.000 TYR 51 0.840 1.663 21.119 71.975 -99.200 -91.000 PHE 52 1.000 2.823 26.512 68.279 -99.200 -91.000 HIS 65 0.900 12.997 26.917 63.007 -99.200 -91.000 PHE 70 1.000 19.436 36.216 57.181 -99.200 -91.000 PHE 73 1.000 22.361 32.465 54.180 -99.200 -91.000 HIS 83 0.900 37.196 43.992 49.056 -99.200 -91.000 HIS 103 0.900 9.074 24.126 53.051 -99.200 -91.000 TRP 104 1.040 15.781 27.904 56.851 -99.200 -91.000 TRP6 104 1.020 17.073 29.882 56.748 -99.200 -91.000 TRP 108 1.040 15.059 36.221 58.085 -99.200 -91.000 TRP6 108 1.020 16.061 37.647 56.493 -99.200 -91.000 PHE 109 1.000 15.301 36.800 51.393 -99.200 -91.000 TRP 111 1.040 6.409 35.929 58.016 -99.200 -91.000 TRP6 111 1.020 6.192 34.760 60.071 -99.200 -91.000 TRP 120 1.040 5.394 46.709 60.181 -99.200 -91.000 TRP6 120 1.020 6.654 48.284 61.430 -99.200 -91.000 PHE 123 1.000 12.411 40.413 59.822 -99.200 -91.000 PHE 137 1.000 27.507 46.191 54.050 -99.200 -91.000 HIS 150 0.900 28.605 54.563 49.911 -99.200 -91.000 PHE 159 1.000 23.907 41.711 51.069 -99.200 -91.000 HIS 160 0.900 15.749 42.620 53.581 -99.200 -91.000 TYR 164 0.840 10.979 40.554 49.306 -99.200 -91.000 PHE 167 1.000 12.043 34.857 48.686 -99.200 -91.000 TYR 186 0.840 18.807 42.505 41.173 -99.200 -91.000 TYR 192 0.840 32.358 46.700 46.736 -99.200 -91.000 HIS 196 0.900 45.352 53.529 45.994 -99.200 -91.000