============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 9 1.000 108.567 9.219 5.126 -99.200 -91.000 PHE 13 1.000 112.969 8.794 3.373 -99.200 -91.000 TRP 17 1.040 108.120 -4.134 1.439 -99.200 -91.000 TRP6 17 1.020 110.164 -4.035 0.248 -99.200 -91.000 PHE 41 1.000 111.594 -3.354 16.705 -99.200 -91.000 TYR 46 0.840 119.888 8.294 14.959 -99.200 -91.000 PHE 52 1.000 123.018 18.949 6.226 -99.200 -91.000 PHE 53 1.000 127.663 15.123 11.367 -99.200 -91.000 TYR 79 0.840 111.894 -5.524 4.947 -99.200 -91.000 PHE 84 1.000 112.226 12.666 8.516 -99.200 -91.000 PHE 130 1.000 114.840 17.475 18.581 -99.200 -91.000 HIS 144 0.900 123.355 -18.907 18.268 -99.200 -91.000 TRP 145 1.040 129.045 -13.003 16.173 -99.200 -91.000 TRP6 145 1.020 128.876 -11.619 14.258 -99.200 -91.000 HIS 165 0.900 129.453 11.801 15.351 -99.200 -91.000 HIS 218 0.900 133.408 0.648 32.599 -99.200 -91.000 PHE 220 1.000 131.826 -6.338 24.440 -99.200 -91.000 PHE 255 1.000 136.579 12.813 22.844 -99.200 -91.000 HIS 278 0.900 144.601 -4.730 9.939 -99.200 -91.000 HIS 280 0.900 134.761 -3.316 3.890 -99.200 -91.000 TYR 304 0.840 156.786 4.236 34.121 -99.200 -91.000 HIS 314 0.900 130.372 11.138 37.955 -99.200 -91.000