============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 9 1.000 14.396 20.723 -0.324 -99.200 -91.000 TYR 10 0.840 7.691 26.661 5.942 -99.200 -91.000 TYR 40 0.840 8.766 22.319 14.074 -99.200 -91.000 TRP 41 1.040 15.777 18.329 14.102 -99.200 -91.000 TRP6 41 1.020 17.121 16.466 14.659 -99.200 -91.000 PHE 46 1.000 6.966 19.565 19.278 -99.200 -91.000 TYR 58 0.840 7.249 23.172 9.814 -99.200 -91.000 TYR 74 0.840 16.882 12.784 18.297 -99.200 -91.000 HIS 78 0.900 14.530 2.145 25.998 -99.200 -91.000 TYR 84 0.840 27.436 14.307 25.946 -99.200 -91.000 PHE 89 1.000 6.515 10.363 22.553 -99.200 -91.000 TYR 95 0.840 8.447 6.056 17.752 -99.200 -91.000 TRP 98 1.040 5.175 11.727 18.745 -99.200 -91.000 TRP6 98 1.020 7.208 11.543 17.566 -99.200 -91.000 PHE 135 1.000 16.951 -3.515 14.284 -99.200 -91.000 TYR 140 0.840 2.717 1.700 14.126 -99.200 -91.000 TYR 154 0.840 14.179 10.888 1.565 -99.200 -91.000 HIS 159 0.900 28.802 8.674 10.883 -99.200 -91.000 TRP 162 1.040 27.093 4.715 14.248 -99.200 -91.000 TRP6 162 1.020 25.681 6.476 14.936 -99.200 -91.000 PHE 183 1.000 20.234 5.230 2.000 -99.200 -91.000 PHE 190 1.000 30.122 18.120 12.821 -99.200 -91.000 TYR 191 0.840 32.129 11.347 9.294 -99.200 -91.000 TYR 199 0.840 27.544 4.431 4.772 -99.200 -91.000 HIS 211 0.900 15.902 6.976 -5.721 -99.200 -91.000 TYR 212 0.840 22.297 8.710 -1.375 -99.200 -91.000 TRP 231 1.040 30.331 12.192 18.313 -99.200 -91.000 TRP6 231 1.020 28.762 12.813 19.959 -99.200 -91.000 HIS 251 0.900 20.682 4.992 -7.342 -99.200 -91.000 TYR 255 0.840 24.398 17.566 -2.251 -99.200 -91.000 TRP 257 1.040 22.203 23.310 5.193 -99.200 -91.000 TRP6 257 1.020 22.655 25.544 5.791 -99.200 -91.000 PHE 278 1.000 20.575 29.928 16.780 -99.200 -91.000 TYR 282 0.840 28.299 26.282 20.007 -99.200 -91.000 HIS 288 0.900 32.406 35.230 11.161 -99.200 -91.000