============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 24 1.000 23.594 7.713 39.635 -99.200 -91.000 TRP 35 1.040 27.091 7.369 41.714 -99.200 -91.000 TRP6 35 1.020 27.088 9.684 41.194 -99.200 -91.000 TYR 50 0.840 25.062 26.384 48.658 -99.200 -91.000 TRP 58 1.040 23.324 12.096 43.863 -99.200 -91.000 TRP6 58 1.020 24.579 13.617 42.557 -99.200 -91.000 TYR 62 0.840 19.532 1.655 34.821 -99.200 -91.000 TYR 68 0.840 23.595 -5.882 24.496 -99.200 -91.000 TRP 74 1.040 25.278 -2.202 22.898 -99.200 -91.000 TRP6 74 1.020 26.663 -3.242 24.519 -99.200 -91.000 TYR 86 0.840 14.673 14.954 35.059 -99.200 -91.000 PHE 87 1.000 17.424 22.126 30.285 -99.200 -91.000 PHE 116 1.000 28.795 24.836 21.505 -99.200 -91.000 TYR 123 0.840 51.663 19.877 41.219 -99.200 -91.000 PHE 124 1.000 43.713 20.048 42.772 -99.200 -91.000 PHE 142 1.000 36.740 26.872 26.760 -99.200 -91.000 TYR 150 0.840 37.115 11.957 18.742 -99.200 -91.000 TYR 155 0.840 31.865 4.771 4.477 -99.200 -91.000 PHE 168 1.000 32.452 11.324 -5.448 -99.200 -91.000 PHE 180 1.000 50.629 0.423 -0.426 -99.200 -91.000 TYR 206 0.840 37.203 29.501 31.346 -99.200 -91.000 HIS 210 0.900 36.045 31.898 34.194 -99.200 -91.000 HIS 219 0.900 47.306 25.670 13.305 -99.200 -91.000 PHE 226 1.000 42.242 23.162 0.951 -99.200 -91.000 PHE 231 1.000 40.101 25.152 15.591 -99.200 -91.000 TRP 234 1.040 36.510 29.186 8.789 -99.200 -91.000 TRP6 234 1.020 36.303 26.857 8.409 -99.200 -91.000 TYR 236 0.840 45.127 33.722 14.545 -99.200 -91.000 TYR 243 0.840 34.440 37.644 21.516 -99.200 -91.000 PHE 248 1.000 48.353 42.787 18.696 -99.200 -91.000 TRP 250 1.040 50.799 35.766 18.021 -99.200 -91.000 TRP6 250 1.020 51.968 33.713 18.164 -99.200 -91.000 TYR 253 0.840 53.959 40.701 15.444 -99.200 -91.000 PHE 288 1.000 49.462 23.310 23.163 -99.200 -91.000 PHE 299 1.000 51.576 27.211 24.889 -99.200 -91.000 TYR 311 0.840 45.865 11.852 19.606 -99.200 -91.000 TYR 333 0.840 30.159 27.020 27.918 -99.200 -91.000 HIS 337 0.900 19.896 20.466 27.028 -99.200 -91.000 PHE 340 1.000 29.083 19.424 34.416 -99.200 -91.000 HIS 344 0.900 41.151 8.405 28.567 -99.200 -91.000 TYR 350 0.840 43.747 -2.423 41.665 -99.200 -91.000 HIS 371 0.900 26.614 24.315 33.116 -99.200 -91.000 TRP 374 1.040 23.551 25.359 43.332 -99.200 -91.000 TRP6 374 1.020 22.717 23.271 44.080 -99.200 -91.000 TYR 396 0.840 45.708 2.144 43.024 -99.200 -91.000 PHE 398 1.000 47.023 11.348 43.093 -99.200 -91.000 PHE 413 1.000 41.223 11.361 48.226 -99.200 -91.000