============================================================================= 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. TRP 14 1.040 32.876 -66.283 34.070 -99.200 -91.000 TRP6 14 1.020 34.791 -65.879 35.385 -99.200 -91.000 TYR 19 0.840 15.463 -71.705 26.737 -99.200 -91.000 TYR 46 0.840 9.928 -71.946 38.348 -99.200 -91.000 TYR 98 0.840 -3.959 -63.344 46.629 -99.200 -91.000 PHE 106 1.000 6.424 -66.977 47.358 -99.200 -91.000 TYR 113 0.840 7.857 -74.876 41.926 -99.200 -91.000 PHE 124 1.000 16.193 -69.243 46.153 -99.200 -91.000 HIS 128 0.900 12.525 -59.620 51.739 -99.200 -91.000 PHE 136 1.000 25.214 -69.800 52.073 -99.200 -91.000 HIS 151 0.900 10.641 -75.678 29.149 -99.200 -91.000 TYR 157 0.840 12.585 -64.334 30.306 -99.200 -91.000 HIS 160 0.900 11.185 -61.574 35.093 -99.200 -91.000 PHE 165 1.000 3.981 -51.567 38.080 -99.200 -91.000 PHE 167 1.000 0.977 -49.333 42.976 -99.200 -91.000 TRP 180 1.040 16.338 -48.472 27.986 -99.200 -91.000 TRP6 180 1.020 15.800 -49.381 30.105 -99.200 -91.000 TYR 199 0.840 27.351 -52.632 42.409 -99.200 -91.000 PHE 226 1.000 23.511 -53.227 34.301 -99.200 -91.000 TRP 235 1.040 34.004 -65.827 23.588 -99.200 -91.000 TRP6 235 1.020 33.308 -67.840 24.594 -99.200 -91.000 PHE 237 1.000 23.509 -64.642 21.133 -99.200 -91.000 PHE 239 1.000 34.890 -65.969 18.718 -99.200 -91.000 PHE 240 1.000 31.320 -71.182 21.486 -99.200 -91.000 PHE 252 1.000 22.317 -91.399 16.807 -99.200 -91.000 TRP 258 1.040 16.806-110.526 22.497 -99.200 -91.000 TRP6 258 1.020 16.974-112.662 21.496 -99.200 -91.000 PHE 259 1.000 12.452-113.337 25.069 -99.200 -91.000 TYR 289 0.840 24.311 -96.661 19.233 -99.200 -91.000 PHE 311 1.000 25.295 -85.323 19.704 -99.200 -91.000