============================================================================= 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 20 1.040 7.502 107.634 51.085 -99.200 -91.000 TRP6 20 1.020 6.567 106.840 49.064 -99.200 -91.000 PHE 21 1.000 5.680 106.189 59.259 -99.200 -91.000 PHE 31 1.000 -2.367 97.740 44.900 -99.200 -91.000 TYR 32 0.840 -0.608 95.593 48.787 -99.200 -91.000 PHE 49 1.000 12.052 91.626 36.057 -99.200 -91.000 HIS 50 0.900 7.248 92.770 33.707 -99.200 -91.000 PHE 55 1.000 20.414 101.233 33.841 -99.200 -91.000 PHE 65 1.000 15.769 106.956 27.662 -99.200 -91.000 HIS 77 0.900 6.390 108.431 29.468 -99.200 -91.000 PHE 84 1.000 7.362 98.227 26.085 -99.200 -91.000 HIS 104 0.900 -1.399 108.997 49.718 -99.200 -91.000 PHE 108 1.000 2.868 108.299 38.341 -99.200 -91.000 PHE 114 1.000 5.535 102.783 50.967 -99.200 -91.000 PHE 131 1.000 10.200 103.658 50.109 -99.200 -91.000 PHE 161 1.000 17.273 89.392 34.981 -99.200 -91.000 PHE 166 1.000 20.168 93.180 38.772 -99.200 -91.000 HIS 178 0.900 8.736 83.611 38.589 -99.200 -91.000 PHE 191 1.000 -7.602 84.904 36.629 -99.200 -91.000 PHE 202 1.000 10.744 85.666 49.653 -99.200 -91.000 PHE 206 1.000 10.413 79.522 41.494 -99.200 -91.000 TYR 207 0.840 14.884 79.707 44.550 -99.200 -91.000 PHE 224 1.000 4.875 82.362 24.606 -99.200 -91.000 PHE 231 1.000 3.796 69.082 43.682 -99.200 -91.000 PHE 235 1.000 1.793 77.819 33.534 -99.200 -91.000 TRP 253 1.040 16.432 76.521 41.045 -99.200 -91.000 TRP6 253 1.020 15.362 78.177 39.738 -99.200 -91.000 PHE 267 1.000 13.097 89.152 46.336 -99.200 -91.000 PHE 279 1.000 15.911 106.719 39.539 -99.200 -91.000 PHE 321 1.000 17.602 68.589 46.483 -99.200 -91.000