============================================================================= 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. TYR 33 0.840 25.360 23.084 -16.207 -99.200 -91.000 TYR 42 0.840 25.262 15.775 -25.842 -99.200 -91.000 PHE 53 1.000 29.661 14.105 -29.372 -99.200 -91.000 TRP 55 1.040 31.819 7.025 -20.913 -99.200 -91.000 TRP6 55 1.020 32.710 6.684 -18.742 -99.200 -91.000 HIS 60 0.900 37.230 19.577 -18.120 -99.200 -91.000 HIS 97 0.900 16.405 5.013 -13.081 -99.200 -91.000 TYR 110 0.840 -0.540 3.393 -9.259 -99.200 -91.000 HIS 111 0.900 -2.947 5.854 -19.349 -99.200 -91.000 TYR 126 0.840 11.813 9.540 -18.242 -99.200 -91.000 PHE 147 1.000 6.926 20.328 -26.698 -99.200 -91.000 PHE 156 1.000 11.012 31.410 -22.395 -99.200 -91.000 TYR 162 0.840 0.313 29.574 -24.190 -99.200 -91.000 HIS 186 0.900 16.840 22.718 -23.469 -99.200 -91.000 TYR 187 0.840 10.510 18.851 -23.080 -99.200 -91.000 TYR 220 0.840 20.390 11.318 6.296 -99.200 -91.000 HIS 221 0.900 21.511 5.256 3.362 -99.200 -91.000 HIS 234 0.900 27.092 27.158 -6.353 -99.200 -91.000 PHE 236 1.000 26.868 27.706 -13.040 -99.200 -91.000 PHE 245 1.000 26.354 28.274 -19.685 -99.200 -91.000 TRP 252 1.040 16.490 29.500 -21.038 -99.200 -91.000 TRP6 252 1.020 17.536 27.406 -20.729 -99.200 -91.000 PHE 253 1.000 17.331 30.084 -15.519 -99.200 -91.000 HIS 262 0.900 35.211 22.484 -20.513 -99.200 -91.000 HIS 264 0.900 34.534 18.127 -22.880 -99.200 -91.000