============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 1 0.900 36.847 12.341 -2.207 -99.200 -91.000 TYR 50 0.840 29.345 25.220 26.534 -99.200 -91.000 PHE 55 1.000 27.630 18.233 31.171 -99.200 -91.000 PHE 63 1.000 27.131 24.825 12.556 -99.200 -91.000 PHE 70 1.000 31.214 26.825 22.601 -99.200 -91.000 PHE 79 1.000 27.836 31.548 11.314 -99.200 -91.000 PHE 80 1.000 21.448 33.901 8.564 -99.200 -91.000 PHE 88 1.000 6.421 38.377 11.535 -99.200 -91.000 TRP 104 1.040 19.086 31.282 28.139 -99.200 -91.000 TRP6 104 1.020 17.730 29.475 28.864 -99.200 -91.000 PHE 111 1.000 6.262 31.117 15.629 -99.200 -91.000 TYR 120 0.840 -2.825 37.904 10.049 -99.200 -91.000 PHE 130 1.000 12.030 38.396 9.304 -99.200 -91.000 PHE 133 1.000 11.828 25.745 10.529 -99.200 -91.000 TYR 134 0.840 6.540 22.261 16.768 -99.200 -91.000 TYR 137 0.840 12.938 20.181 22.791 -99.200 -91.000 TRP 139 1.040 4.545 26.463 15.596 -99.200 -91.000 TRP6 139 1.020 4.022 25.977 13.345 -99.200 -91.000 HIS 140 0.900 12.650 26.304 15.869 -99.200 -91.000 PHE 149 1.000 25.109 30.312 6.786 -99.200 -91.000 TYR 157 0.840 36.236 20.712 10.606 -99.200 -91.000 TYR 161 0.840 29.168 20.373 -1.168 -99.200 -91.000 PHE 175 1.000 19.196 13.819 4.410 -99.200 -91.000 PHE 197 1.000 22.928 1.770 5.856 -99.200 -91.000 TYR 201 0.840 18.859 -1.792 13.783 -99.200 -91.000 TYR 203 0.840 12.123 5.360 18.024 -99.200 -91.000 PHE 211 1.000 28.743 7.461 13.343 -99.200 -91.000 HIS 213 0.900 26.497 1.643 4.189 -99.200 -91.000 PHE 214 1.000 27.875 5.785 4.793 -99.200 -91.000