============================================================================= 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 37.101 30.620 18.386 -99.200 -91.000 TYR 14 0.840 25.896 30.687 25.634 -99.200 -91.000 TYR 22 0.840 32.075 10.207 34.077 -99.200 -91.000 HIS 23 0.900 32.218 17.638 29.556 -99.200 -91.000 PHE 24 1.000 26.916 13.385 31.750 -99.200 -91.000 TRP 34 1.040 13.752 25.105 35.017 -99.200 -91.000 TRP6 34 1.020 13.066 22.866 34.794 -99.200 -91.000 HIS 40 0.900 23.247 12.604 22.494 -99.200 -91.000 TYR 42 0.840 17.968 9.714 32.212 -99.200 -91.000 PHE 64 1.000 32.255 22.492 40.709 -99.200 -91.000 HIS 73 0.900 9.816 16.438 23.049 -99.200 -91.000 TYR 76 0.840 16.094 10.545 23.027 -99.200 -91.000 TRP 121 1.040 35.167 22.211 28.662 -99.200 -91.000 TRP6 121 1.020 33.110 23.141 29.366 -99.200 -91.000 TYR 131 0.840 37.478 13.283 24.763 -99.200 -91.000 TYR 152 0.840 24.624 13.183 8.340 -99.200 -91.000 PHE 161 1.000 20.358 23.760 13.529 -99.200 -91.000 TYR 165 0.840 32.796 25.697 8.331 -99.200 -91.000 TRP 192 1.040 21.854 12.990 14.561 -99.200 -91.000 TRP6 192 1.020 22.226 12.106 12.411 -99.200 -91.000 TYR 205 0.840 25.091 21.087 15.357 -99.200 -91.000 TYR 211 0.840 12.098 20.069 20.133 -99.200 -91.000 TRP 214 1.040 8.439 19.698 26.334 -99.200 -91.000 TRP6 214 1.020 10.767 19.505 26.593 -99.200 -91.000