============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 30 0.840 23.134 77.296 -29.117 -99.200 -91.000 TYR 36 0.840 25.008 73.321 -25.198 -99.200 -91.000 TRP 39 1.040 21.927 61.366 -18.929 -99.200 -91.000 TRP6 39 1.020 19.784 60.481 -18.396 -99.200 -91.000 PHE 40 1.000 23.053 67.346 -12.593 -99.200 -91.000 TYR 53 0.840 30.678 68.306 -19.501 -99.200 -91.000 PHE 66 1.000 27.726 55.806 -13.558 -99.200 -91.000 PHE 75 1.000 18.352 64.007 -25.172 -99.200 -91.000 TYR 90 0.840 21.551 56.825 -11.750 -99.200 -91.000 TYR 91 0.840 16.622 63.887 -9.749 -99.200 -91.000 PHE 95 1.000 23.451 74.535 -18.456 -99.200 -91.000 TYR 98 0.840 13.314 81.323 -20.755 -99.200 -91.000 PHE 100 1.000 19.424 77.461 -18.367 -99.200 -91.000 PHE 102 1.000 18.044 70.231 -12.265 -99.200 -91.000 PHE 122 1.000 15.876 48.959 21.074 -99.200 -91.000 PHE 139 1.000 15.445 51.363 16.136 -99.200 -91.000 PHE 143 1.000 12.960 45.686 5.612 -99.200 -91.000 TYR 144 0.840 15.894 43.215 -2.293 -99.200 -91.000 TRP 152 1.040 3.795 48.477 16.928 -99.200 -91.000 TRP6 152 1.020 5.425 48.427 18.640 -99.200 -91.000 TRP 167 1.040 8.554 51.983 5.707 -99.200 -91.000 TRP6 167 1.020 6.797 53.520 6.094 -99.200 -91.000 TYR 177 0.840 14.781 48.708 0.018 -99.200 -91.000 TYR 190 0.840 5.222 51.189 29.084 -99.200 -91.000 HIS 193 0.900 -3.247 47.713 27.990 -99.200 -91.000 TYR 196 0.840 3.134 47.674 25.980 -99.200 -91.000 HIS 202 0.900 11.190 40.541 4.193 -99.200 -91.000 PHE 213 1.000 8.367 46.185 26.216 -99.200 -91.000