============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 14.724 48.355 77.244 -99.200 -91.000 TYR 10 0.840 8.467 53.623 79.860 -99.200 -91.000 TYR 14 0.840 9.577 63.933 75.022 -99.200 -91.000 TYR 15 0.840 16.585 60.285 70.587 -99.200 -91.000 PHE 32 1.000 30.005 64.486 75.637 -99.200 -91.000 HIS 92 0.900 0.496 44.542 95.910 -99.200 -91.000 PHE 100 1.000 -4.032 37.530 101.923 -99.200 -91.000 PHE 104 1.000 11.577 43.535 100.515 -99.200 -91.000 TYR 111 0.840 24.967 44.327 95.568 -99.200 -91.000 TYR 123 0.840 9.053 34.331 99.070 -99.200 -91.000 TYR 142 0.840 26.214 61.418 87.496 -99.200 -91.000 HIS 163 0.900 10.597 26.734 92.164 -99.200 -91.000 TYR 177 0.840 36.270 43.067 97.890 -99.200 -91.000 TYR 182 0.840 32.131 57.884 102.168 -99.200 -91.000 PHE 184 1.000 26.914 57.931 92.468 -99.200 -91.000 TRP 185 1.040 29.259 60.829 99.603 -99.200 -91.000 TRP6 185 1.020 31.234 61.411 98.432 -99.200 -91.000 HIS 190 0.900 24.725 67.054 99.222 -99.200 -91.000 TYR 192 0.840 21.487 68.060 90.368 -99.200 -91.000 TYR 204 0.840 32.618 49.031 87.041 -99.200 -91.000 PHE 208 1.000 35.306 42.106 86.297 -99.200 -91.000 TRP 212 1.040 37.758 36.453 87.514 -99.200 -91.000 TRP6 212 1.020 36.344 34.698 86.781 -99.200 -91.000 TYR 215 0.840 32.082 32.489 89.848 -99.200 -91.000 PHE 226 1.000 31.774 32.407 83.730 -99.200 -91.000 PHE 231 1.000 32.015 42.798 82.566 -99.200 -91.000 HIS 232 0.900 26.670 49.874 86.949 -99.200 -91.000 PHE 235 1.000 31.910 55.571 81.829 -99.200 -91.000 TYR 262 0.840 31.633 45.891 77.317 -99.200 -91.000 TYR 268 0.840 18.511 46.283 73.146 -99.200 -91.000 TYR 271 0.840 21.782 53.045 70.088 -99.200 -91.000 TYR 276 0.840 22.341 56.486 89.249 -99.200 -91.000 TYR 281 0.840 20.182 42.643 86.982 -99.200 -91.000 PHE 302 1.000 31.609 43.516 89.431 -99.200 -91.000 TYR 304 0.840 31.231 49.480 91.866 -99.200 -91.000 PHE 312 1.000 31.817 36.666 87.702 -99.200 -91.000 TYR 313 0.840 24.315 37.198 89.240 -99.200 -91.000 TYR 321 0.840 18.210 32.402 74.795 -99.200 -91.000 HIS 324 0.900 9.564 31.271 76.581 -99.200 -91.000 HIS 330 0.900 12.723 44.140 75.141 -99.200 -91.000 TYR 345 0.840 19.802 67.629 78.983 -99.200 -91.000 PHE 348 1.000 11.020 67.768 78.033 -99.200 -91.000 PHE 349 1.000 19.062 67.759 84.947 -99.200 -91.000 PHE 352 1.000 12.457 63.890 86.856 -99.200 -91.000 PHE 357 1.000 2.819 67.087 88.114 -99.200 -91.000 HIS 365 0.900 -4.445 63.226 73.045 -99.200 -91.000 HIS 369 0.900 -3.040 52.633 74.053 -99.200 -91.000 PHE 371 1.000 0.317 51.444 85.129 -99.200 -91.000 TYR 372 0.840 -0.103 60.437 82.073 -99.200 -91.000 TYR 383 0.840 2.113 57.442 90.276 -99.200 -91.000 HIS 384 0.900 -3.160 57.609 81.721 -99.200 -91.000