============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 2 0.840 2.222 3.624 -2.601 -99.200 -91.000 TYR 3 0.840 -4.080 2.540 5.769 -99.200 -91.000 PHE 8 1.000 -11.380 16.546 8.490 -99.200 -91.000 TYR 40 0.840 -5.170 18.414 19.846 -99.200 -91.000 PHE 42 1.000 5.300 22.615 19.130 -99.200 -91.000 PHE 44 1.000 -2.594 32.915 19.711 -99.200 -91.000 HIS 57 0.900 2.579 31.272 32.237 -99.200 -91.000 TRP 61 1.040 14.320 35.358 31.400 -99.200 -91.000 TRP6 61 1.020 15.136 35.136 29.223 -99.200 -91.000 TYR 69 0.840 15.937 27.167 23.497 -99.200 -91.000 PHE 78 1.000 12.867 28.594 7.804 -99.200 -91.000 PHE 86 1.000 7.697 32.044 9.513 -99.200 -91.000 TRP 97 1.040 -6.320 41.675 11.398 -99.200 -91.000 TRP6 97 1.020 -7.617 42.505 9.618 -99.200 -91.000 PHE 99 1.000 -7.783 35.928 10.077 -99.200 -91.000 TYR 103 0.840 -16.192 29.792 12.804 -99.200 -91.000 HIS 120 0.900 1.978 46.114 22.229 -99.200 -91.000 TYR 123 0.840 13.196 38.718 13.533 -99.200 -91.000 PHE 128 1.000 14.918 32.097 20.942 -99.200 -91.000 TYR 150 0.840 8.479 20.073 14.235 -99.200 -91.000 PHE 162 1.000 6.617 2.641 12.867 -99.200 -91.000 PHE 169 1.000 0.611 11.311 -1.224 -99.200 -91.000 PHE 183 1.000 2.923 2.016 -7.994 -99.200 -91.000 TYR 186 0.840 7.713 4.188 -12.140 -99.200 -91.000 TRP 188 1.040 5.034 9.930 -4.595 -99.200 -91.000 TRP6 188 1.020 3.224 8.475 -4.362 -99.200 -91.000 TYR 203 0.840 -1.510 17.954 -13.399 -99.200 -91.000 TYR 205 0.840 5.271 15.177 -13.760 -99.200 -91.000 TYR 217 0.840 -6.049 28.780 -2.135 -99.200 -91.000 TYR 220 0.840 -12.160 33.223 1.714 -99.200 -91.000 PHE 221 1.000 -12.650 38.508 8.553 -99.200 -91.000 TYR 228 0.840 -11.114 42.689 5.305 -99.200 -91.000 HIS 229 0.900 -4.782 37.177 2.802 -99.200 -91.000 HIS 230 0.900 -3.750 32.106 6.860 -99.200 -91.000 TYR 238 0.840 -4.711 47.370 7.769 -99.200 -91.000 TRP 244 1.040 -5.876 36.343 -6.580 -99.200 -91.000 TRP6 244 1.020 -6.849 35.978 -8.711 -99.200 -91.000 PHE 264 1.000 -0.441 35.538 0.010 -99.200 -91.000 TRP 270 1.040 5.728 40.347 -10.493 -99.200 -91.000 TRP6 270 1.020 6.881 39.151 -12.150 -99.200 -91.000 PHE 277 1.000 11.163 34.062 -1.299 -99.200 -91.000 HIS 282 0.900 14.743 25.621 -6.177 -99.200 -91.000 PHE 298 1.000 6.882 25.439 -9.632 -99.200 -91.000 PHE 301 1.000 12.081 20.501 -8.849 -99.200 -91.000