============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 9 1.000 42.920 -48.572 30.410 -99.200 -91.000 PHE 14 1.000 44.331 -57.332 29.197 -99.200 -91.000 HIS 25 0.900 47.125 -54.220 39.742 -99.200 -91.000 PHE 29 1.000 44.247 -49.671 35.725 -99.200 -91.000 HIS 34 0.900 45.491 -41.798 28.676 -99.200 -91.000 PHE 38 1.000 38.421 -49.628 32.733 -99.200 -91.000 PHE 55 1.000 33.891 -45.846 49.457 -99.200 -91.000 TYR 63 0.840 43.127 -34.611 52.515 -99.200 -91.000 PHE 70 1.000 45.459 -36.972 35.061 -99.200 -91.000 TYR 73 0.840 38.897 -35.303 36.529 -99.200 -91.000 PHE 78 1.000 33.379 -45.067 44.508 -99.200 -91.000 PHE 79 1.000 31.261 -36.996 47.960 -99.200 -91.000 PHE 81 1.000 27.140 -42.498 38.102 -99.200 -91.000 HIS 97 0.900 41.264 -33.177 57.362 -99.200 -91.000 TYR 106 0.840 44.436 -31.015 40.660 -99.200 -91.000 HIS 133 0.900 39.257 -19.944 57.983 -99.200 -91.000 HIS 145 0.900 36.060 -22.083 40.335 -99.200 -91.000 PHE 161 1.000 29.229 -19.573 56.840 -99.200 -91.000 PHE 166 1.000 30.138 -12.023 49.591 -99.200 -91.000 PHE 171 1.000 34.083 -0.343 44.384 -99.200 -91.000 HIS 176 0.900 39.006 -11.307 43.439 -99.200 -91.000 TYR 178 0.840 39.727 -15.911 40.340 -99.200 -91.000 HIS 189 0.900 21.162 -20.361 42.736 -99.200 -91.000 HIS 203 0.900 20.724 -0.503 43.690 -99.200 -91.000 HIS 205 0.900 30.250 1.066 47.179 -99.200 -91.000 TYR 214 0.840 37.699 -8.697 36.331 -99.200 -91.000 TYR 217 0.840 32.407 -9.226 33.285 -99.200 -91.000 HIS 221 0.900 22.920 -11.824 38.028 -99.200 -91.000 HIS 225 0.900 19.506 -12.792 34.937 -99.200 -91.000 HIS 248 0.900 34.479 2.899 30.767 -99.200 -91.000 PHE 250 1.000 36.453 -2.893 31.168 -99.200 -91.000 HIS 261 0.900 17.678 -7.764 29.578 -99.200 -91.000 HIS 282 0.900 31.621 15.123 13.314 -99.200 -91.000 TYR 286 0.840 29.788 11.235 11.971 -99.200 -91.000 TYR 293 0.840 35.029 -0.484 23.543 -99.200 -91.000 TYR 296 0.840 29.206 -4.241 18.301 -99.200 -91.000 HIS 315 0.900 14.734 11.923 8.914 -99.200 -91.000 HIS 320 0.900 25.570 10.813 9.740 -99.200 -91.000 TYR 327 0.840 34.244 3.503 11.542 -99.200 -91.000 TYR 329 0.840 32.914 -0.766 14.581 -99.200 -91.000 HIS 332 0.900 26.918 -6.577 13.256 -99.200 -91.000 TYR 340 0.840 12.505 1.934 9.440 -99.200 -91.000 TYR 341 0.840 15.021 3.979 5.636 -99.200 -91.000