============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 4 1.000 -43.519 -85.532 141.273 -99.200 -91.000 HIS 6 0.900 -39.404 -79.142 132.922 -99.200 -91.000 PHE 8 1.000 -42.713 -74.901 131.343 -99.200 -91.000 PHE 13 1.000 -47.903 -82.535 138.522 -99.200 -91.000 PHE 22 1.000 -35.390 -88.781 147.852 -99.200 -91.000 PHE 34 1.000 -21.360 -96.111 156.220 -99.200 -91.000 PHE 48 1.000 -9.373 -96.932 162.959 -99.200 -91.000 PHE 63 1.000 -15.298 -84.675 150.740 -99.200 -91.000 HIS 72 0.900 -14.904 -87.517 134.869 -99.200 -91.000 HIS 101 0.900 -15.698 -97.754 152.152 -99.200 -91.000 PHE 102 1.000 -10.313-102.744 158.199 -99.200 -91.000 HIS 131 0.900 -51.313 -77.968 158.622 -99.200 -91.000 HIS 145 0.900 -76.499 -82.217 161.972 -99.200 -91.000 TYR 151 0.840 -74.376 -88.008 143.175 -99.200 -91.000 TRP 169 1.040 -63.182 -87.623 151.099 -99.200 -91.000 TRP6 169 1.020 -64.188 -85.494 151.056 -99.200 -91.000 HIS 176 0.900 -53.437 -94.444 154.453 -99.200 -91.000 PHE 183 1.000 -40.816 -98.459 157.072 -99.200 -91.000 PHE 188 1.000 -37.513 -94.534 158.116 -99.200 -91.000 PHE 192 1.000 -20.367-102.028 159.051 -99.200 -91.000 TRP 225 1.040 -30.857-103.407 155.391 -99.200 -91.000 TRP6 225 1.020 -31.479-101.734 153.842 -99.200 -91.000 HIS 226 0.900 -24.761-105.741 151.780 -99.200 -91.000 PHE 235 1.000 -40.621 -94.871 153.120 -99.200 -91.000 PHE 249 1.000 -59.739 -84.071 149.685 -99.200 -91.000 PHE 280 1.000 -45.058 -91.037 139.378 -99.200 -91.000 HIS 289 0.900 -44.566-104.740 146.072 -99.200 -91.000 TRP 303 1.040 -28.696-100.940 145.363 -99.200 -91.000 TRP6 303 1.020 -26.365-100.534 145.311 -99.200 -91.000 TRP 307 1.040 -29.593 -97.168 143.078 -99.200 -91.000 TRP6 307 1.020 -27.479 -97.119 142.033 -99.200 -91.000