============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 23 0.840 40.937 72.223 22.840 -99.200 -91.000 PHE 36 1.000 53.995 86.036 13.870 -99.200 -91.000 TYR 69 0.840 57.782 88.081 14.291 -99.200 -91.000 TRP 95 1.040 60.681 62.989 10.284 -99.200 -91.000 TRP6 95 1.020 60.962 62.603 12.603 -99.200 -91.000 PHE 103 1.000 64.204 72.236 3.791 -99.200 -91.000 TYR 118 0.840 57.674 94.525 17.346 -99.200 -91.000 PHE 123 1.000 61.182 80.009 30.423 -99.200 -91.000 PHE 138 1.000 64.549 82.999 20.458 -99.200 -91.000 HIS 139 0.900 71.620 82.335 24.312 -99.200 -91.000 PHE 161 1.000 63.151 55.450 30.034 -99.200 -91.000 PHE 164 1.000 56.861 53.910 24.879 -99.200 -91.000 HIS 184 0.900 63.059 65.354 20.446 -99.200 -91.000 HIS 187 0.900 73.747 58.716 18.090 -99.200 -91.000 TYR 194 0.840 70.659 58.724 37.560 -99.200 -91.000 PHE 200 1.000 59.304 53.121 46.845 -99.200 -91.000 PHE 205 1.000 58.867 48.439 41.591 -99.200 -91.000 TYR 239 0.840 48.311 66.816 16.237 -99.200 -91.000 TYR 240 0.840 46.013 65.516 19.782 -99.200 -91.000 PHE 253 1.000 58.678 82.873 33.101 -99.200 -91.000 TYR 266 0.840 74.982 79.544 27.587 -99.200 -91.000 TYR 271 0.840 75.259 66.432 32.876 -99.200 -91.000 HIS 274 0.900 82.671 75.173 29.360 -99.200 -91.000 PHE 277 1.000 70.727 77.346 24.630 -99.200 -91.000 HIS 299 0.900 84.268 55.337 30.299 -99.200 -91.000 PHE 305 1.000 75.329 64.439 28.031 -99.200 -91.000