============================================================================= 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 17 0.840 -13.726 16.200 20.380 -99.200 -91.000 HIS 41 0.900 -14.964 10.059 12.347 -99.200 -91.000 HIS 47 0.900 -24.548 16.894 15.607 -99.200 -91.000 PHE 51 1.000 -22.421 20.926 24.171 -99.200 -91.000 HIS 53 0.900 -13.442 28.360 21.055 -99.200 -91.000 TRP 56 1.040 -19.191 28.304 9.222 -99.200 -91.000 TRP6 56 1.020 -21.386 28.171 10.103 -99.200 -91.000 TYR 62 0.840 -8.639 14.283 -2.432 -99.200 -91.000 PHE 96 1.000 1.074 10.871 2.251 -99.200 -91.000 TYR 127 0.840 11.199 18.139 -1.140 -99.200 -91.000 PHE 149 1.000 13.174 13.040 27.062 -99.200 -91.000 TYR 156 0.840 12.802 10.956 37.596 -99.200 -91.000 HIS 165 0.900 11.123 24.716 28.669 -99.200 -91.000 TYR 167 0.840 16.212 18.976 21.540 -99.200 -91.000 HIS 172 0.900 6.247 9.347 15.582 -99.200 -91.000 TRP 180 1.040 18.102 11.010 28.101 -99.200 -91.000 TRP6 180 1.020 16.706 11.129 30.010 -99.200 -91.000 PHE 191 1.000 13.282 21.676 38.225 -99.200 -91.000 TYR 216 0.840 6.160 -0.366 18.831 -99.200 -91.000 TYR 226 0.840 -8.211 7.403 19.065 -99.200 -91.000 TYR 227 0.840 -8.933 10.437 22.460 -99.200 -91.000 TYR 248 0.840 5.415 24.183 17.755 -99.200 -91.000 PHE 253 1.000 14.883 17.035 0.490 -99.200 -91.000 TYR 281 0.840 20.761 21.655 10.385 -99.200 -91.000 PHE 304 1.000 18.890 5.655 -3.782 -99.200 -91.000 PHE 308 1.000 8.525 8.630 -3.656 -99.200 -91.000