============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 -0.493 10.846 7.590 -99.200 -91.000 TYR 14 0.840 -3.283 2.926 18.143 -99.200 -91.000 TYR 22 0.840 16.918 9.098 27.113 -99.200 -91.000 HIS 23 0.900 10.156 8.431 21.951 -99.200 -91.000 PHE 24 1.000 13.193 3.778 26.507 -99.200 -91.000 TRP 34 1.040 -1.155 -6.216 31.918 -99.200 -91.000 TRP6 34 1.020 0.902 -7.366 32.170 -99.200 -91.000 HIS 40 0.900 14.306 -3.170 19.524 -99.200 -91.000 TYR 42 0.840 14.732 -4.856 30.670 -99.200 -91.000 PHE 64 1.000 4.504 12.678 31.737 -99.200 -91.000 HIS 73 0.900 8.366 -14.694 23.335 -99.200 -91.000 TYR 76 0.840 15.461 -9.438 22.548 -99.200 -91.000 TRP 121 1.040 6.255 11.434 19.226 -99.200 -91.000 TRP6 121 1.020 5.023 9.862 20.505 -99.200 -91.000 TYR 131 0.840 16.159 11.246 15.912 -99.200 -91.000 TYR 152 0.840 15.288 -6.680 5.328 -99.200 -91.000 PHE 161 1.000 3.892 -7.573 9.960 -99.200 -91.000 TYR 165 0.840 4.973 2.147 0.596 -99.200 -91.000 TRP 192 1.040 14.424 -7.009 12.132 -99.200 -91.000 TRP6 192 1.020 15.448 -7.426 10.040 -99.200 -91.000 TYR 205 0.840 7.075 -2.695 10.702 -99.200 -91.000 TYR 211 0.840 5.737 -13.218 19.278 -99.200 -91.000 TRP 214 1.040 4.140 -14.920 26.348 -99.200 -91.000 TRP6 214 1.020 4.998 -12.738 26.067 -99.200 -91.000