============================================================================= 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. TYR 13 0.840 4.049 165.620 44.734 -99.200 -91.000 PHE 17 1.000 13.060 165.835 45.980 -99.200 -91.000 PHE 38 1.000 26.659 184.311 43.517 -99.200 -91.000 PHE 77 1.000 44.337 174.424 38.129 -99.200 -91.000 TRP 81 1.040 46.115 171.074 32.857 -99.200 -91.000 TRP6 81 1.020 45.661 170.692 30.569 -99.200 -91.000 TYR 90 0.840 41.528 177.184 25.353 -99.200 -91.000 TRP 94 1.040 44.400 182.079 39.051 -99.200 -91.000 TRP6 94 1.020 45.799 182.716 37.252 -99.200 -91.000 PHE 100 1.000 46.245 178.947 51.324 -99.200 -91.000 TYR 111 0.840 35.277 183.250 46.352 -99.200 -91.000 TYR 120 0.840 27.774 183.871 28.059 -99.200 -91.000 TRP 133 1.040 44.189 167.928 40.974 -99.200 -91.000 TRP6 133 1.020 45.670 168.821 42.593 -99.200 -91.000 TRP 142 1.040 26.821 172.863 45.330 -99.200 -91.000 TRP6 142 1.020 25.897 171.112 46.633 -99.200 -91.000 PHE 146 1.000 22.058 171.741 44.221 -99.200 -91.000 PHE 147 1.000 24.598 178.714 42.565 -99.200 -91.000 PHE 160 1.000 42.930 167.028 33.585 -99.200 -91.000 TYR 164 0.840 32.346 164.715 39.286 -99.200 -91.000 TRP 178 1.040 34.150 168.240 59.277 -99.200 -91.000 TRP6 178 1.020 33.284 166.472 60.591 -99.200 -91.000 TYR 206 0.840 38.200 157.568 36.988 -99.200 -91.000 TYR 226 0.840 30.828 156.084 34.959 -99.200 -91.000 PHE 228 1.000 25.223 156.955 36.197 -99.200 -91.000 PHE 243 1.000 49.845 156.164 33.026 -99.200 -91.000 HIS 247 0.900 43.974 164.176 44.109 -99.200 -91.000 PHE 255 1.000 46.140 158.622 29.646 -99.200 -91.000 TYR 257 0.840 49.232 169.018 26.485 -99.200 -91.000 TYR 276 0.840 42.276 159.002 25.081 -99.200 -91.000