============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 3 1.000 3.236 42.867 66.053 -99.200 -91.000 HIS 8 0.900 -0.104 42.392 67.538 -99.200 -91.000 PHE 48 1.000 -23.247 60.211 76.062 -99.200 -91.000 PHE 51 1.000 -23.323 54.919 68.621 -99.200 -91.000 TYR 62 0.840 -17.095 50.621 60.511 -99.200 -91.000 PHE 69 1.000 -13.707 62.322 47.603 -99.200 -91.000 TRP 94 1.040 -6.070 51.060 44.009 -99.200 -91.000 TRP6 94 1.020 -5.999 48.932 42.958 -99.200 -91.000 HIS 112 0.900 -4.477 69.033 64.561 -99.200 -91.000 HIS 115 0.900 -4.642 75.659 67.786 -99.200 -91.000 HIS 118 0.900 -6.914 82.901 65.239 -99.200 -91.000 HIS 121 0.900 -2.788 87.806 61.497 -99.200 -91.000 TYR 134 0.840 -3.577 88.072 72.677 -99.200 -91.000 PHE 173 1.000 0.762 77.971 59.107 -99.200 -91.000 TRP 184 1.040 8.002 75.703 63.869 -99.200 -91.000 TRP6 184 1.020 8.734 77.765 62.956 -99.200 -91.000 PHE 197 1.000 9.097 61.818 57.352 -99.200 -91.000 HIS 200 0.900 10.881 56.347 51.403 -99.200 -91.000 PHE 205 1.000 4.013 70.972 48.316 -99.200 -91.000 HIS 208 0.900 -2.932 77.547 54.764 -99.200 -91.000 HIS 219 0.900 -11.832 66.596 39.536 -99.200 -91.000 PHE 231 1.000 4.975 56.450 49.848 -99.200 -91.000 TYR 241 0.840 5.613 67.170 63.941 -99.200 -91.000 HIS 245 0.900 7.390 71.406 67.414 -99.200 -91.000 PHE 250 1.000 5.215 80.877 66.374 -99.200 -91.000 PHE 255 1.000 -1.559 82.715 75.162 -99.200 -91.000 PHE 277 1.000 -17.138 82.574 80.173 -99.200 -91.000 HIS 280 0.900 -16.505 72.538 73.769 -99.200 -91.000 HIS 282 0.900 -10.044 71.914 69.706 -99.200 -91.000 PHE 333 1.000 -16.753 65.280 70.708 -99.200 -91.000 TYR 366 0.840 -31.107 72.490 80.897 -99.200 -91.000 HIS 367 0.900 -33.048 80.433 83.414 -99.200 -91.000 TYR 383 0.840 -26.647 86.561 73.065 -99.200 -91.000 HIS 384 0.900 -19.604 85.005 65.665 -99.200 -91.000 TYR 387 0.840 -11.170 86.764 71.420 -99.200 -91.000 PHE 407 1.000 -24.982 83.830 90.038 -99.200 -91.000 TYR 418 0.840 -27.739 65.663 90.264 -99.200 -91.000 TRP 430 1.040 3.383 66.128 84.471 -99.200 -91.000 TRP6 430 1.020 5.342 66.379 85.812 -99.200 -91.000 PHE 475 1.000 -21.470 51.278 76.980 -99.200 -91.000 HIS 480 0.900 -9.522 57.812 75.664 -99.200 -91.000 PHE 493 1.000 7.114 58.522 82.139 -99.200 -91.000 TYR 518 0.840 -5.799 53.248 88.730 -99.200 -91.000 PHE 526 1.000 11.481 56.145 85.574 -99.200 -91.000 PHE 544 1.000 4.600 61.630 84.863 -99.200 -91.000 HIS 545 0.900 -3.444 66.813 80.187 -99.200 -91.000 PHE 575 1.000 6.607 58.002 71.875 -99.200 -91.000 TRP 593 1.040 0.816 64.170 63.146 -99.200 -91.000 TRP6 593 1.020 1.761 63.795 65.270 -99.200 -91.000 TRP 594 1.040 1.316 59.945 67.223 -99.200 -91.000 TRP6 594 1.020 3.355 60.601 68.308 -99.200 -91.000 HIS 602 0.900 -5.265 50.964 70.245 -99.200 -91.000 TYR 616 0.840 -6.642 46.314 57.773 -99.200 -91.000 TYR 627 0.840 6.598 56.364 55.063 -99.200 -91.000 TYR 630 0