============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 18 0.840 -13.271 27.727 61.846 -99.200 -91.000 TRP 27 1.040 -15.951 13.705 59.068 -99.200 -91.000 TRP6 27 1.020 -17.066 13.258 57.031 -99.200 -91.000 PHE 34 1.000 -14.046 23.300 59.198 -99.200 -91.000 PHE 38 1.000 -10.480 28.420 51.614 -99.200 -91.000 PHE 42 1.000 -10.488 32.619 47.384 -99.200 -91.000 TYR 45 0.840 -11.850 38.474 49.737 -99.200 -91.000 HIS 50 0.900 -19.632 27.691 39.199 -99.200 -91.000 HIS 62 0.900 -1.723 19.560 34.869 -99.200 -91.000 TYR 83 0.840 7.101 29.596 41.739 -99.200 -91.000 TYR 92 0.840 3.250 20.892 35.387 -99.200 -91.000 PHE 107 1.000 8.678 45.233 39.686 -99.200 -91.000 HIS 129 0.900 -3.949 39.589 38.221 -99.200 -91.000 TYR 131 0.840 6.806 40.794 42.972 -99.200 -91.000 HIS 147 0.900 -6.191 39.162 18.210 -99.200 -91.000 TYR 163 0.840 -8.098 46.615 35.900 -99.200 -91.000 PHE 177 1.000 -7.441 33.979 43.681 -99.200 -91.000 PHE 179 1.000 -6.038 29.664 48.940 -99.200 -91.000 PHE 180 1.000 4.970 27.566 49.741 -99.200 -91.000 TYR 217 0.840 -17.021 2.384 43.961 -99.200 -91.000 TRP 218 1.040 -17.936 4.472 33.868 -99.200 -91.000 TRP6 218 1.020 -17.598 2.223 33.235 -99.200 -91.000 PHE 219 1.000 -12.263 6.163 38.438 -99.200 -91.000 PHE 224 1.000 -4.886 16.159 35.645 -99.200 -91.000 TYR 226 0.840 -3.538 18.096 39.947 -99.200 -91.000 HIS 246 0.900 -4.577 37.288 58.171 -99.200 -91.000 TRP 256 1.040 5.335 51.555 60.190 -99.200 -91.000 TRP6 256 1.020 4.825 49.500 61.252 -99.200 -91.000 TYR 257 0.840 9.623 47.866 53.781 -99.200 -91.000 HIS 272 0.900 3.540 53.571 39.073 -99.200 -91.000 HIS 279 0.900 0.770 46.312 44.951 -99.200 -91.000 PHE 281 1.000 2.484 47.649 47.857 -99.200 -91.000 TRP 282 1.040 3.208 37.192 48.599 -99.200 -91.000 TRP6 282 1.020 4.710 36.411 46.982 -99.200 -91.000 TYR 284 0.840 7.899 48.924 49.692 -99.200 -91.000 PHE 314 1.000 8.443 35.384 41.314 -99.200 -91.000 HIS 315 0.900 16.949 34.240 39.436 -99.200 -91.000 HIS 318 0.900 14.118 35.848 28.879 -99.200 -91.000 TYR 323 0.840 9.807 26.805 30.953 -99.200 -91.000 HIS 325 0.900 12.615 25.608 25.380 -99.200 -91.000 HIS 347 0.900 6.645 38.705 58.444 -99.200 -91.000