============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 7 1.000 -2.697 20.348 17.827 -99.200 -91.000 PHE 10 1.000 0.661 22.677 28.217 -99.200 -91.000 HIS 22 0.900 0.472 22.567 13.447 -99.200 -91.000 HIS 34 0.900 -7.620 28.409 14.711 -99.200 -91.000 TRP 37 1.040 -0.461 30.607 27.330 -99.200 -91.000 TRP6 37 1.020 -1.491 29.008 28.726 -99.200 -91.000 PHE 57 1.000 -7.136 30.374 27.355 -99.200 -91.000 PHE 86 1.000 -9.756 27.859 25.295 -99.200 -91.000 TYR 96 0.840 -14.145 13.285 16.547 -99.200 -91.000 HIS 121 0.900 5.154 9.187 29.682 -99.200 -91.000 TRP 122 1.040 6.158 4.933 30.145 -99.200 -91.000 TRP6 122 1.020 7.356 4.403 32.117 -99.200 -91.000 TYR 124 0.840 4.451 11.424 34.754 -99.200 -91.000 HIS 125 0.900 -2.664 4.253 32.122 -99.200 -91.000 HIS 137 0.900 -2.961 0.183 32.063 -99.200 -91.000 PHE 158 1.000 -5.055 12.618 18.961 -99.200 -91.000 PHE 167 1.000 -10.817 15.855 6.422 -99.200 -91.000 TYR 181 0.840 3.812 6.632 12.273 -99.200 -91.000 PHE 187 1.000 18.843 1.151 20.593 -99.200 -91.000 HIS 212 0.900 6.007 13.726 46.662 -99.200 -91.000