============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 1 0.840 39.636 42.948 23.981 -99.200 -91.000 PHE 2 1.000 42.102 48.596 19.754 -99.200 -91.000 PHE 15 1.000 57.396 29.429 14.007 -99.200 -91.000 TYR 18 0.840 60.529 34.707 9.112 -99.200 -91.000 HIS 30 0.900 84.027 21.208 4.819 -99.200 -91.000 PHE 41 1.000 64.974 32.538 7.657 -99.200 -91.000 TYR 64 0.840 78.069 34.941 9.827 -99.200 -91.000 PHE 82 1.000 67.393 42.780 21.655 -99.200 -91.000 HIS 85 0.900 70.103 28.656 15.315 -99.200 -91.000 PHE 92 1.000 62.559 13.736 11.484 -99.200 -91.000 HIS 102 0.900 47.377 21.547 16.514 -99.200 -91.000 PHE 105 1.000 47.505 21.371 23.644 -99.200 -91.000 PHE 125 1.000 57.529 14.618 23.473 -99.200 -91.000 TYR 131 0.840 53.753 24.957 26.672 -99.200 -91.000 HIS 134 0.900 50.337 28.807 26.718 -99.200 -91.000 TYR 162 0.840 54.983 47.649 20.247 -99.200 -91.000 HIS 165 0.900 55.918 50.475 11.749 -99.200 -91.000 HIS 171 0.900 64.715 52.565 20.001 -99.200 -91.000 PHE 178 1.000 67.558 38.548 11.879 -99.200 -91.000 HIS 190 0.900 83.967 32.193 8.451 -99.200 -91.000 PHE 191 1.000 78.094 38.088 15.334 -99.200 -91.000 PHE 196 1.000 75.425 42.639 16.569 -99.200 -91.000 PHE 200 1.000 76.151 45.966 27.226 -99.200 -91.000 TYR 202 0.840 70.060 41.293 26.500 -99.200 -91.000 TYR 214 0.840 73.292 34.708 34.544 -99.200 -91.000 PHE 217 1.000 79.939 21.959 32.778 -99.200 -91.000 PHE 226 1.000 96.821 5.422 30.571 -99.200 -91.000 HIS 232 0.900 102.671 -18.034 25.916 -99.200 -91.000 PHE 250 1.000 94.345 9.360 34.195 -99.200 -91.000 HIS 253 0.900 95.683 6.765 41.363 -99.200 -91.000 TYR 262 0.840 77.540 8.335 39.231 -99.200 -91.000 TYR 266 0.840 75.528 27.278 39.444 -99.200 -91.000 PHE 269 1.000 80.860 16.576 33.143 -99.200 -91.000 TYR 270 0.840 88.306 14.811 37.092 -99.200 -91.000 HIS 271 0.900 81.610 11.386 29.500 -99.200 -91.000 TYR 285 0.840 90.788 10.172 22.223 -99.200 -91.000 TYR 286 0.840 89.582 10.109 31.494 -99.200 -91.000 PHE 291 1.000 78.239 25.507 35.040 -99.200 -91.000 PHE 296 1.000 88.950 24.161 33.005 -99.200 -91.000 TYR 314 0.840 103.029 1.520 36.323 -99.200 -91.000 TYR 327 0.840 83.288 24.559 26.034 -99.200 -91.000 TYR 328 0.840 89.175 29.333 28.690 -99.200 -91.000 TYR 345 0.840 65.332 38.065 38.068 -99.200 -91.000 HIS 358 0.900 66.534 26.699 32.286 -99.200 -91.000 TYR 371 0.840 87.782 33.456 25.266 -99.200 -91.000 PHE 380 1.000 60.850 34.126 27.410 -99.200 -91.000 TYR 386 0.840 63.901 24.488 20.732 -99.200 -91.000 HIS 387 0.900 68.324 20.441 17.916 -99.200 -91.000 PHE 390 1.000 56.737 12.859 18.594 -99.200 -91.000 TYR 392 0.840 55.146 21.506 22.493 -99.200 -91.000 PHE 412 1.000 70.866 47.507 28.302 -99.200 -91.000