============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. HIS 1 0.900 49.648 9.116 -75.473 -99.200 -91.000 TYR 7 0.840 44.492 8.440 -43.782 -99.200 -91.000 TYR 12 0.840 46.834 7.632 -37.558 -99.200 -91.000 HIS 18 0.900 39.858 -2.994 -40.862 -99.200 -91.000 PHE 26 1.000 27.606 -1.401 -30.791 -99.200 -91.000 TYR 32 0.840 29.148 20.809 -29.577 -99.200 -91.000 PHE 36 1.000 34.932 9.946 -35.971 -99.200 -91.000 TRP 48 1.040 25.513 5.597 -36.272 -99.200 -91.000 TRP6 48 1.020 26.827 6.138 -34.386 -99.200 -91.000 TYR 59 0.840 24.598 -0.050 -18.900 -99.200 -91.000 TYR 64 0.840 31.429 -5.154 -31.455 -99.200 -91.000 PHE 73 1.000 30.812 4.472 -25.319 -99.200 -91.000 PHE 77 1.000 32.696 19.318 -24.117 -99.200 -91.000 TYR 92 0.840 39.831 1.577 -14.666 -99.200 -91.000 PHE 115 1.000 29.956 32.081 -20.679 -99.200 -91.000 HIS 117 0.900 25.212 23.251 -28.697 -99.200 -91.000 HIS 118 0.900 25.128 19.391 -25.888 -99.200 -91.000 PHE 125 1.000 34.551 24.785 -24.473 -99.200 -91.000 HIS 127 0.900 35.109 22.241 -15.541 -99.200 -91.000 PHE 128 1.000 31.602 18.526 -19.119 -99.200 -91.000 HIS 132 0.900 34.611 10.523 -19.062 -99.200 -91.000 TYR 149 0.840 53.125 12.842 -33.387 -99.200 -91.000 TYR 166 0.840 37.208 11.190 -22.548 -99.200 -91.000 HIS 213 0.900 38.107 -9.887 -13.814 -99.200 -91.000 PHE 218 1.000 45.510 -8.877 -21.934 -99.200 -91.000 PHE 227 1.000 48.109 -25.211 -18.745 -99.200 -91.000 PHE 240 1.000 34.893 -9.948 -11.736 -99.200 -91.000 PHE 252 1.000 33.569 -25.650 -15.220 -99.200 -91.000 TYR 256 0.840 36.189 -21.655 -3.983 -99.200 -91.000 PHE 268 1.000 39.777 -31.816 -6.924 -99.200 -91.000 PHE 274 1.000 50.652 -24.580 -8.242 -99.200 -91.000 PHE 290 1.000 34.527 -9.828 0.294 -99.200 -91.000 HIS 292 0.900 37.962 -15.536 -0.328 -99.200 -91.000 HIS 293 0.900 37.512 -20.835 4.461 -99.200 -91.000 PHE 310 1.000 54.437 -21.533 -4.594 -99.200 -91.000 PHE 317 1.000 53.095 -10.981 -14.410 -99.200 -91.000 PHE 319 1.000 46.633 -12.401 -17.385 -99.200 -91.000 TYR 334 0.840 44.335 -34.555 -11.369 -99.200 -91.000 TYR 338 0.840 39.265 -34.563 -13.646 -99.200 -91.000 PHE 344 1.000 12.713 -29.326 -15.631 -99.200 -91.000 TRP 357 1.040 17.345 -20.093 -12.178 -99.200 -91.000 TRP6 357 1.020 17.496 -18.745 -14.107 -99.200 -91.000 PHE 378 1.000 26.025 -13.383 -11.555 -99.200 -91.000 PHE 379 1.000 23.363 -13.322 -6.923 -99.200 -91.000 PHE 385 1.000 28.611 -28.231 -13.910 -99.200 -91.000 PHE 392 1.000 26.802 -16.438 -16.883 -99.200 -91.000 TRP 398 1.040 29.703 -0.605 -12.762 -99.200 -91.000 TRP6 398 1.020 30.797 0.779 -11.180 -99.200 -91.000 TYR 403 0.840 26.784 -5.278 -18.919 -99.200 -91.000 PHE 405 1.000 16.917 -5.154 -24.417 -99.200 -91.000 HIS 420 0.900 25.066 -13.563 -27.869 -99.200 -91.000 PHE 423 1.000 17.816 -17.439 -19.086 -99.200 -91.000 PHE 449 1.000 14.052 -17.728 -22.107 -99.200 -91.000 TYR 456 0.840 13.561 -2.544 -8.202 -99.200 -91.000 HIS 463 0.900 16.202 -3.552 5.439 -99.200 -91.000 TYR 469 0.840 12.473 0.033 0.518 -99.200 -91.000 TRP 475 1.040 6.703 -0.765 -17.523 -99.200 -91.000 TRP6 475 1.020 8.834 -0.492 -18.514 -99.200 -91.000 TYR 477 0.840 7.513 -6.189 -17.579 -99.200 -91.000 PHE 484 1.000 9.807 0.106 -27.091 -99.200 -91.000 PHE 502 1.000 12.060 -22.089 -19.451 -99.200 -91.000 TYR 517 0.840 11.080 -17.557 -30.785 -99.200 -91.000 TRP 518 1.040 9.941 -8.956 -25.183 -99.200 -91.000 TRP6 518 1.020 12.058 -7.957 -24.837 -99.200 -91.000 PHE 539 1.000 24.889 -9.377 -1.970 -99.200 -91.000