============================================================================= 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. PHE 33 1.000 40.738 18.498 19.204 -99.200 -91.000 HIS 41 0.900 50.270 18.844 15.118 -99.200 -91.000 HIS 49 0.900 54.253 26.241 4.305 -99.200 -91.000 TYR 55 0.840 50.118 40.997 -0.311 -99.200 -91.000 TYR 66 0.840 38.554 16.773 22.907 -99.200 -91.000 PHE 81 1.000 29.882 7.692 11.092 -99.200 -91.000 TRP 92 1.040 24.436 12.501 2.620 -99.200 -91.000 TRP6 92 1.020 23.684 14.722 2.454 -99.200 -91.000 HIS 111 0.900 37.373 17.770 26.389 -99.200 -91.000 PHE 120 1.000 29.126 33.611 18.056 -99.200 -91.000 HIS 136 0.900 21.942 26.667 25.058 -99.200 -91.000 HIS 138 0.900 25.374 17.429 27.470 -99.200 -91.000 TYR 160 0.840 25.770 31.007 -8.502 -99.200 -91.000 TYR 161 0.840 21.123 26.482 -7.339 -99.200 -91.000 HIS 176 0.900 14.925 36.412 5.212 -99.200 -91.000 HIS 181 0.900 21.494 22.422 6.330 -99.200 -91.000 TYR 191 0.840 9.134 37.047 4.691 -99.200 -91.000 PHE 201 1.000 13.400 41.462 -10.932 -99.200 -91.000 PHE 216 1.000 11.090 28.502 -3.730 -99.200 -91.000 HIS 230 0.900 33.893 10.809 -7.123 -99.200 -91.000 TYR 234 0.840 35.573 20.331 0.255 -99.200 -91.000 TYR 248 0.840 31.812 36.871 18.487 -99.200 -91.000 TYR 266 0.840 9.770 32.304 13.310 -99.200 -91.000 HIS 268 0.900 7.559 25.661 17.072 -99.200 -91.000 PHE 272 1.000 19.976 26.368 20.144 -99.200 -91.000 PHE 300 1.000 9.976 28.226 12.341 -99.200 -91.000