============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 8 1.000 -2.720 9.257 17.819 -99.200 -91.000 TYR 24 0.840 3.504 6.313 33.405 -99.200 -91.000 TRP 39 1.040 8.373 6.241 18.536 -99.200 -91.000 TRP6 39 1.020 7.005 7.976 19.384 -99.200 -91.000 PHE 44 1.000 12.504 -5.458 3.341 -99.200 -91.000 TRP 62 1.040 22.699 10.431 14.386 -99.200 -91.000 TRP6 62 1.020 24.613 9.043 14.222 -99.200 -91.000 HIS 68 0.900 19.357 -9.258 19.369 -99.200 -91.000 TYR 72 0.840 23.572 -14.136 18.949 -99.200 -91.000 TRP 74 1.040 21.795 -18.128 16.314 -99.200 -91.000 TRP6 74 1.020 19.921 -16.840 16.981 -99.200 -91.000 PHE 78 1.000 22.274 -9.218 8.561 -99.200 -91.000 HIS 90 0.900 -1.123 0.633 9.975 -99.200 -91.000 TYR 95 0.840 7.276 1.648 -2.004 -99.200 -91.000 TYR 109 0.840 29.239 5.183 14.024 -99.200 -91.000 HIS 111 0.900 28.934 -0.042 24.728 -99.200 -91.000 TYR 114 0.840 26.416 -7.397 20.955 -99.200 -91.000 TRP 116 1.040 29.878 -10.982 20.352 -99.200 -91.000 TRP6 116 1.020 30.900 -13.090 19.975 -99.200 -91.000 PHE 135 1.000 12.013 14.859 11.784 -99.200 -91.000 TYR 138 0.840 1.015 9.311 7.616 -99.200 -91.000 HIS 140 0.900 7.783 14.486 15.586 -99.200 -91.000 TYR 157 0.840 5.638 4.519 38.004 -99.200 -91.000 TRP 164 1.040 5.339 -3.812 11.180 -99.200 -91.000 TRP6 164 1.020 6.999 -2.123 11.291 -99.200 -91.000 PHE 201 1.000 13.617 -1.569 30.829 -99.200 -91.000 TYR 205 0.840 0.236 -7.145 31.998 -99.200 -91.000 PHE 224 1.000 9.211 -0.627 28.347 -99.200 -91.000 PHE 230 1.000 6.857 14.011 36.064 -99.200 -91.000 TRP 234 1.040 4.102 9.385 23.320 -99.200 -91.000 TRP6 234 1.020 3.285 7.392 24.302 -99.200 -91.000 TYR 235 0.840 11.065 12.139 27.640 -99.200 -91.000 TRP 242 1.040 18.361 -10.868 26.885 -99.200 -91.000 TRP6 242 1.020 17.769 -12.374 28.616 -99.200 -91.000 TYR 252 0.840 8.452 -11.743 34.602 -99.200 -91.000 PHE 254 1.000 15.377 -10.501 31.490 -99.200 -91.000 TYR 255 0.840 11.637 -4.834 26.877 -99.200 -91.000 HIS 257 0.900 18.384 1.983 32.453 -99.200 -91.000 PHE 259 1.000 20.275 8.436 32.532 -99.200 -91.000 TRP 264 1.040 28.876 3.822 22.599 -99.200 -91.000 TRP6 264 1.020 27.171 3.114 21.116 -99.200 -91.000 PHE 272 1.000 32.512 8.138 15.685 -99.200 -91.000