============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. TYR 4 0.840 0.410 38.572 0.128 -99.200 -91.000 TRP 6 1.040 -5.260 36.252 1.326 -99.200 -91.000 TRP6 6 1.020 -3.130 35.455 1.921 -99.200 -91.000 HIS 33 0.900 5.216 43.417 36.532 -99.200 -91.000 HIS 34 0.900 4.511 35.031 35.013 -99.200 -91.000 TYR 38 0.840 2.134 39.679 22.503 -99.200 -91.000 PHE 54 1.000 -1.712 47.031 0.701 -99.200 -91.000 HIS 63 0.900 10.732 65.240 -10.532 -99.200 -91.000 TYR 64 0.840 10.117 54.748 -10.747 -99.200 -91.000 HIS 95 0.900 19.841 25.058 14.493 -99.200 -91.000 PHE 101 1.000 11.293 18.953 -3.512 -99.200 -91.000 TYR 103 0.840 17.821 18.898 0.213 -99.200 -91.000 HIS 111 0.900 29.791 21.332 1.094 -99.200 -91.000 HIS 118 0.900 15.784 19.556 -4.511 -99.200 -91.000 TRP 123 1.040 22.713 26.422 -11.959 -99.200 -91.000 TRP6 123 1.020 22.473 28.592 -11.084 -99.200 -91.000 PHE 145 1.000 6.404 41.826 18.746 -99.200 -91.000 PHE 159 1.000 9.847 29.184 4.415 -99.200 -91.000 TYR 173 0.840 26.614 36.287 -0.156 -99.200 -91.000 TYR 188 0.840 23.176 48.931 1.444 -99.200 -91.000 PHE 190 1.000 20.424 47.005 5.901 -99.200 -91.000 TYR 192 0.840 27.145 54.404 6.641 -99.200 -91.000 PHE 200 1.000 24.417 59.112 6.427 -99.200 -91.000 TRP 205 1.040 20.304 67.843 13.480 -99.200 -91.000 TRP6 205 1.020 18.115 67.425 12.712 -99.200 -91.000 PHE 214 1.000 10.912 63.261 5.534 -99.200 -91.000 TYR 216 0.840 6.640 57.625 3.425 -99.200 -91.000 PHE 221 1.000 9.192 49.142 0.613 -99.200 -91.000 TYR 237 0.840 18.315 42.221 -8.735 -99.200 -91.000 TYR 258 0.840 14.005 36.648 -6.523 -99.200 -91.000 TYR 273 0.840 0.051 33.062 -8.113 -99.200 -91.000 TYR 293 0.840 18.901 55.859 -3.938 -99.200 -91.000 PHE 336 1.000 9.259 61.516 0.907 -99.200 -91.000 TYR 343 0.840 7.073 58.198 -7.334 -99.200 -91.000 TYR 355 0.840 11.419 71.755 12.227 -99.200 -91.000 HIS 371 0.900 27.852 64.363 28.917 -99.200 -91.000 TYR 379 0.840 26.190 63.938 19.374 -99.200 -91.000 TYR 380 0.840 23.652 56.527 23.867 -99.200 -91.000 TRP 394 1.040 10.062 32.551 24.647 -99.200 -91.000 TRP6 394 1.020 7.737 32.892 24.714 -99.200 -91.000 HIS 399 0.900 19.306 26.223 22.422 -99.200 -91.000 TRP 405 1.040 20.914 36.334 24.759 -99.200 -91.000 TRP6 405 1.020 23.192 36.595 25.310 -99.200 -91.000 PHE 412 1.000 19.981 48.971 19.813 -99.200 -91.000 TRP 417 1.040 18.602 50.218 26.488 -99.200 -91.000 TRP6 417 1.020 18.680 48.421 24.948 -99.200 -91.000 HIS 425 0.900 19.146 37.609 32.711 -99.200 -91.000 PHE 426 1.000 20.685 37.264 28.180 -99.200 -91.000 PHE 427 1.000 29.510 38.448 29.655 -99.200 -91.000 TYR 445 0.840 23.446 46.576 9.959 -99.200 -91.000 TYR 449 0.840 27.456 37.934 11.125 -99.200 -91.000 HIS 464 0.900 28.457 50.009 19.631 -99.200 -91.000 PHE 469 1.000 34.421 48.475 26.154 -99.200 -91.000 HIS 472 0.900 30.324 60.217 33.125 -99.200 -91.000 TYR 474 0.8