============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 8 0.900 28.085 31.843 121.234 -99.200 -91.000 TYR 11 0.840 32.395 23.859 129.182 -99.200 -91.000 PHE 21 1.000 21.522 5.333 134.936 -99.200 -91.000 PHE 42 1.000 20.842 27.725 126.053 -99.200 -91.000 TRP 44 1.040 28.316 34.414 124.541 -99.200 -91.000 TRP6 44 1.020 27.120 35.025 122.664 -99.200 -91.000 PHE 52 1.000 15.351 39.798 122.273 -99.200 -91.000 TYR 55 0.840 11.552 29.436 124.750 -99.200 -91.000 PHE 57 1.000 16.201 27.120 122.241 -99.200 -91.000 TYR 64 0.840 31.460 13.044 125.364 -99.200 -91.000 TYR 79 0.840 17.814 12.109 129.365 -99.200 -91.000 PHE 80 1.000 13.903 17.111 123.337 -99.200 -91.000 PHE 98 1.000 14.319 9.386 128.528 -99.200 -91.000 TRP 107 1.040 36.543 4.741 124.306 -99.200 -91.000 TRP6 107 1.020 36.455 4.296 122.044 -99.200 -91.000 TYR 122 0.840 4.419 34.215 127.113 -99.200 -91.000 TYR 144 0.840 25.197 2.600 131.082 -99.200 -91.000 PHE 156 1.000 32.309 22.676 124.162 -99.200 -91.000 TYR 164 0.840 10.205 35.414 117.840 -99.200 -91.000 PHE 165 1.000 5.765 40.287 120.751 -99.200 -91.000 TYR 192 0.840 23.782 32.244 137.402 -99.200 -91.000 HIS 204 0.900 27.622 31.121 149.776 -99.200 -91.000 PHE 206 1.000 30.232 28.236 142.905 -99.200 -91.000 PHE 212 1.000 29.160 31.774 138.397 -99.200 -91.000 TYR 249 0.840 29.764 36.052 151.577 -99.200 -91.000 PHE 250 1.000 31.837 43.446 149.333 -99.200 -91.000 PHE 264 1.000 33.301 32.981 152.908 -99.200 -91.000