============================================================================= 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. HIS 16 0.900 2.653 13.132 16.731 -99.200 -91.000 PHE 25 1.000 8.382 25.412 20.096 -99.200 -91.000 TYR 50 0.840 4.483 27.262 7.534 -99.200 -91.000 TRP 51 1.040 -5.881 24.037 6.871 -99.200 -91.000 TRP6 51 1.020 -6.722 22.857 8.735 -99.200 -91.000 HIS 52 0.900 -3.553 21.171 11.876 -99.200 -91.000 PHE 53 1.000 -0.661 24.834 15.246 -99.200 -91.000 PHE 60 1.000 5.410 28.356 24.412 -99.200 -91.000 TRP 64 1.040 1.437 30.142 28.924 -99.200 -91.000 TRP6 64 1.020 3.173 31.711 28.490 -99.200 -91.000 TYR 78 0.840 -9.127 19.568 42.368 -99.200 -91.000 PHE 82 1.000 -11.819 19.027 48.782 -99.200 -91.000 HIS 96 0.900 -3.433 18.906 38.903 -99.200 -91.000 PHE 115 1.000 8.771 29.373 35.064 -99.200 -91.000 HIS 116 0.900 14.286 27.378 33.418 -99.200 -91.000 PHE 120 1.000 8.301 34.959 27.250 -99.200 -91.000 TYR 139 0.840 -0.740 39.036 40.124 -99.200 -91.000 HIS 148 0.900 -15.274 32.979 46.085 -99.200 -91.000 PHE 171 1.000 5.118 29.487 48.816 -99.200 -91.000 TRP 179 1.040 12.090 20.045 40.779 -99.200 -91.000 TRP6 179 1.020 11.275 18.983 38.812 -99.200 -91.000 PHE 181 1.000 18.951 27.541 36.095 -99.200 -91.000 PHE 186 1.000 13.070 22.557 44.849 -99.200 -91.000 TYR 195 0.840 8.422 23.086 48.963 -99.200 -91.000 TYR 203 0.840 -2.191 33.360 51.358 -99.200 -91.000