============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. HIS 1 0.900 -12.511 -14.961 44.875 -99.200 -91.000 TYR 4 0.840 -20.817 -11.484 33.395 -99.200 -91.000 TRP 6 1.040 -26.052 -13.947 35.445 -99.200 -91.000 TRP6 6 1.020 -25.723 -12.189 33.896 -99.200 -91.000 HIS 33 0.900 -27.877 -24.939 -0.571 -99.200 -91.000 HIS 34 0.900 -32.518 -18.074 0.125 -99.200 -91.000 TYR 38 0.840 -27.346 -18.870 13.417 -99.200 -91.000 PHE 54 1.000 -15.851 -18.685 33.480 -99.200 -91.000 HIS 63 0.900 8.678 -18.834 35.767 -99.200 -91.000 TYR 64 0.840 0.620 -12.203 37.094 -99.200 -91.000 HIS 95 0.900 -25.275 6.643 11.934 -99.200 -91.000 PHE 101 1.000 -27.566 10.442 32.641 -99.200 -91.000 TYR 103 0.840 -25.161 13.814 26.137 -99.200 -91.000 HIS 118 0.900 -24.185 13.800 31.156 -99.200 -91.000 HIS 120 0.900 -16.411 20.548 29.805 -99.200 -91.000 TRP 123 1.040 -12.450 15.443 33.364 -99.200 -91.000 TRP6 123 1.020 -11.281 13.530 32.619 -99.200 -91.000 PHE 145 1.000 -22.037 -15.844 14.390 -99.200 -91.000 PHE 157 1.000 -24.100 -0.191 25.468 -99.200 -91.000 TYR 171 0.840 -7.863 7.452 20.632 -99.200 -91.000 TYR 186 0.840 -0.908 -3.484 20.245 -99.200 -91.000 PHE 188 1.000 -5.799 -5.485 18.074 -99.200 -91.000 TYR 190 0.840 3.199 -6.062 13.224 -99.200 -91.000 PHE 198 1.000 6.338 -10.074 14.301 -99.200 -91.000 TRP 203 1.040 7.712 -21.168 10.124 -99.200 -91.000 TRP6 203 1.020 6.463 -22.181 11.841 -99.200 -91.000 PHE 212 1.000 1.917 -22.521 21.763 -99.200 -91.000 TYR 214 0.840 -3.756 -21.074 25.886 -99.200 -91.000 PHE 219 1.000 -8.483 -12.843 27.581 -99.200 -91.000 TYR 235 0.840 -4.224 0.770 31.240 -99.200 -91.000 TYR 256 0.840 -11.865 1.142 32.410 -99.200 -91.000 TYR 271 0.840 -21.772 -5.293 40.896 -99.200 -91.000 TYR 291 0.840 3.964 -9.369 26.111 -99.200 -91.000 PHE 334 1.000 1.547 -21.057 26.753 -99.200 -91.000 TYR 341 0.840 0.399 -17.535 35.148 -99.200 -91.000 TYR 353 0.840 6.610 -29.318 14.975 -99.200 -91.000 HIS 369 0.900 2.817 -19.185 -6.997 -99.200 -91.000 TYR 377 0.840 4.961 -17.315 2.205 -99.200 -91.000 TYR 378 0.840 -3.548 -15.520 0.166 -99.200 -91.000 TRP 392 1.040 -29.078 -9.763 8.003 -99.200 -91.000 TRP6 392 1.020 -30.296 -11.436 9.159 -99.200 -91.000 HIS 397 0.900 -29.717 -0.488 2.480 -99.200 -91.000 TRP 403 1.040 -20.859 -4.834 1.670 -99.200 -91.000 TRP6 403 1.020 -19.560 -3.474 0.230 -99.200 -91.000 TYR 410 0.840 -9.846 -12.016 5.987 -99.200 -91.000 TRP 415 1.040 -12.092 -15.824 0.845 -99.200 -91.000 TRP6 415 1.020 -12.976 -14.063 2.155 -99.200 -91.000 HIS 423 0.900 -23.906 -9.971 -4.292 -99.200 -91.000 PHE 424 1.000 -22.002 -6.976 -0.909 -99.200 -91.000 PHE 425 1.000 -16.500 -1.906 -6.388 -99.200 -91.000 TYR 443 0.840 -6.256 -4.450 12.352 -99.200 -91.000 TYR 447 0.840 -10.885 2.700 10.499 -99.200 -91.000 HIS 462 0.900 -4.535 -6.503 2.108 -99.200 -91.000 PHE 467 1.000 -5.112 -3.607 -6.255 -99.200 -91.000 HIS 470 0.90