============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 29 1.000 10.782 18.903 7.167 -99.200 -91.000 HIS 40 0.900 5.196 7.811 -14.077 -99.200 -91.000 HIS 62 0.900 7.769 14.582 -27.662 -99.200 -91.000 TYR 72 0.840 17.059 24.847 -13.881 -99.200 -91.000 HIS 73 0.900 14.742 22.409 -21.791 -99.200 -91.000 HIS 144 0.900 21.745 1.685 4.560 -99.200 -91.000 PHE 171 1.000 10.993 -14.884 -6.242 -99.200 -91.000 TRP 174 1.040 10.358 -19.647 -3.198 -99.200 -91.000 TRP6 174 1.020 9.500 -19.272 -5.370 -99.200 -91.000 HIS 181 0.900 11.452 -23.871 -14.088 -99.200 -91.000 HIS 190 0.900 9.603 -6.288 -0.390 -99.200 -91.000 TRP 193 1.040 9.964 -2.351 3.270 -99.200 -91.000 TRP6 193 1.020 9.489 -0.289 4.330 -99.200 -91.000 HIS 217 0.900 33.471 -0.109 4.203 -99.200 -91.000 PHE 220 1.000 25.494 4.327 9.221 -99.200 -91.000 TYR 224 0.840 32.294 -3.656 2.592 -99.200 -91.000 HIS 232 0.900 11.994 -8.790 11.457 -99.200 -91.000 HIS 238 0.900 11.678 -0.770 9.629 -99.200 -91.000 PHE 243 1.000 25.752 0.238 20.799 -99.200 -91.000 TRP 267 1.040 20.545 13.417 11.754 -99.200 -91.000 TRP6 267 1.020 19.806 11.231 12.262 -99.200 -91.000 PHE 280 1.000 5.450 -2.830 20.946 -99.200 -91.000 HIS 281 0.900 -2.166 -0.715 23.790 -99.200 -91.000 TRP 286 1.040 8.495 -7.463 16.053 -99.200 -91.000 TRP6 286 1.020 9.484 -5.870 17.497 -99.200 -91.000 PHE 288 1.000 14.799 -10.782 14.537 -99.200 -91.000 PHE 296 1.000 17.524 -16.022 -2.310 -99.200 -91.000 TYR 316 0.840 26.785 -5.913 -6.082 -99.200 -91.000 PHE 327 1.000 13.577 -11.734 -13.981 -99.200 -91.000 PHE 334 1.000 15.077 -13.829 -9.150 -99.200 -91.000 HIS 346 0.900 36.897 -14.645 -12.644 -99.200 -91.000 TRP 351 1.040 36.842 -1.482 -14.504 -99.200 -91.000 TRP6 351 1.020 37.304 0.688 -15.327 -99.200 -91.000 TRP 367 1.040 35.275 -3.522 -18.638 -99.200 -91.000 TRP6 367 1.020 34.674 -4.892 -16.801 -99.200 -91.000