============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 34.630 5.071 3.037 -99.200 -91.000 HIS 15 0.900 27.847 16.022 14.105 -99.200 -91.000 HIS 61 0.900 25.245 -5.480 20.773 -99.200 -91.000 PHE 68 1.000 27.959 0.318 32.309 -99.200 -91.000 HIS 83 0.900 44.478 -0.310 19.455 -99.200 -91.000 PHE 85 1.000 37.998 1.230 18.922 -99.200 -91.000 PHE 88 1.000 25.890 2.285 16.083 -99.200 -91.000 PHE 93 1.000 18.903 5.525 23.096 -99.200 -91.000 TYR 104 0.840 22.251 10.176 23.794 -99.200 -91.000 PHE 109 1.000 23.409 -0.015 31.151 -99.200 -91.000 TRP 114 1.040 29.277 5.052 27.990 -99.200 -91.000 TRP6 114 1.020 28.577 3.547 26.319 -99.200 -91.000 HIS 121 0.900 13.970 0.712 15.818 -99.200 -91.000 HIS 140 0.900 31.547 19.012 18.625 -99.200 -91.000 TYR 160 0.840 9.626 2.564 9.687 -99.200 -91.000 HIS 171 0.900 14.912 16.451 12.995 -99.200 -91.000 PHE 174 1.000 22.019 13.899 18.049 -99.200 -91.000 PHE 178 1.000 19.746 7.890 6.327 -99.200 -91.000 PHE 190 1.000 21.966 12.673 5.699 -99.200 -91.000 HIS 192 0.900 23.623 5.645 2.940 -99.200 -91.000 TYR 210 0.840 24.034 -13.335 9.294 -99.200 -91.000 TYR 244 0.840 33.220 -10.890 8.082 -99.200 -91.000 TRP 249 1.040 40.247 -0.069 1.722 -99.200 -91.000 TRP6 249 1.020 39.482 1.931 2.743 -99.200 -91.000 TYR 252 0.840 36.117 3.422 -0.162 -99.200 -91.000