============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 10 0.900 57.928 -61.192 -39.836 -99.200 -91.000 TYR 33 0.840 52.411 -45.708 -22.654 -99.200 -91.000 TRP 34 1.040 57.968 -46.914 -29.788 -99.200 -91.000 TRP6 34 1.020 57.801 -48.459 -31.570 -99.200 -91.000 TYR 35 0.840 55.793 -52.007 -22.803 -99.200 -91.000 PHE 45 1.000 57.985 -47.336 -20.558 -99.200 -91.000 TYR 49 0.840 58.388 -40.765 -27.687 -99.200 -91.000 TYR 50 0.840 48.776 -36.996 -23.717 -99.200 -91.000 PHE 64 1.000 68.136 -50.098 -28.959 -99.200 -91.000 PHE 69 1.000 58.241 -38.430 -36.875 -99.200 -91.000 HIS 73 0.900 54.418 -41.184 -38.090 -99.200 -91.000 TYR 89 0.840 63.007 -54.189 -30.632 -99.200 -91.000 PHE 90 1.000 55.056 -57.689 -28.985 -99.200 -91.000 PHE 101 1.000 42.608 -50.880 -26.170 -99.200 -91.000 PHE 102 1.000 51.030 -53.748 -25.072 -99.200 -91.000 PHE 118 1.000 71.703 -70.610 -47.430 -99.200 -91.000 PHE 125 1.000 56.913 -84.769 -49.248 -99.200 -91.000 HIS 134 0.900 43.184 -98.284 -40.695 -99.200 -91.000 PHE 147 1.000 62.428 -72.179 -42.872 -99.200 -91.000 TYR 148 0.840 70.135 -68.508 -40.251 -99.200 -91.000 HIS 151 0.900 61.879 -63.103 -39.033 -99.200 -91.000 TRP 156 1.040 48.262 -76.626 -45.401 -99.200 -91.000 TRP6 156 1.020 49.012 -78.237 -46.955 -99.200 -91.000 TRP 157 1.040 46.678 -69.395 -49.731 -99.200 -91.000 TRP6 157 1.020 45.255 -67.535 -50.011 -99.200 -91.000 HIS 164 0.900 42.478 -69.911 -41.428 -99.200 -91.000 TYR 185 0.840 65.847 -72.310 -37.637 -99.200 -91.000 PHE 197 1.000 37.456 -80.693 -50.565 -99.200 -91.000 TRP 198 1.040 43.601 -87.275 -52.694 -99.200 -91.000 TRP6 198 1.020 45.215 -85.709 -53.390 -99.200 -91.000 HIS 204 0.900 45.611 -75.408 -57.196 -99.200 -91.000 PHE 205 1.000 43.425 -80.359 -51.861 -99.200 -91.000 PHE 211 1.000 63.398 -66.282 -46.375 -99.200 -91.000 TYR 212 0.840 57.422 -61.929 -43.513 -99.200 -91.000 TRP 220 1.040 72.926 -62.432 -52.702 -99.200 -91.000 TRP6 220 1.020 72.943 -63.219 -50.468 -99.200 -91.000 TRP 237 1.040 45.405 -79.014 -59.974 -99.200 -91.000 TRP6 237 1.020 43.312 -77.922 -60.039 -99.200 -91.000