============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 13.454 18.512 15.762 -99.200 -91.000 TRP6 14 1.020 11.971 19.592 17.232 -99.200 -91.000 TRP 35 1.040 17.703 29.096 4.742 -99.200 -91.000 TRP6 35 1.020 19.540 28.945 3.235 -99.200 -91.000 HIS 41 0.900 29.880 12.122 6.690 -99.200 -91.000 PHE 43 1.000 25.175 17.131 1.013 -99.200 -91.000 TRP 49 1.040 26.954 18.277 -7.129 -99.200 -91.000 TRP6 49 1.020 27.176 18.425 -4.791 -99.200 -91.000 HIS 59 0.900 7.393 6.728 12.303 -99.200 -91.000 HIS 64 0.900 6.346 7.132 -0.201 -99.200 -91.000 TYR 82 0.840 34.222 18.037 4.445 -99.200 -91.000 HIS 89 0.900 36.298 23.738 10.031 -99.200 -91.000 HIS 97 0.900 12.584 25.220 -6.743 -99.200 -91.000 HIS 105 0.900 2.046 14.206 12.042 -99.200 -91.000 PHE 116 1.000 19.935 29.148 25.345 -99.200 -91.000 PHE 123 1.000 29.057 23.876 30.657 -99.200 -91.000 PHE 126 1.000 21.619 11.470 29.952 -99.200 -91.000 TRP 132 1.040 14.196 6.946 8.982 -99.200 -91.000 TRP6 132 1.020 14.000 9.279 8.770 -99.200 -91.000 TYR 173 0.840 36.406 24.970 14.366 -99.200 -91.000 PHE 175 1.000 28.448 17.954 20.809 -99.200 -91.000 TYR 179 0.840 24.854 6.025 26.971 -99.200 -91.000 HIS 195 0.900 23.829 16.422 20.968 -99.200 -91.000 HIS 198 0.900 12.488 19.527 26.550 -99.200 -91.000 TYR 199 0.840 18.044 26.047 29.729 -99.200 -91.000 TRP 203 1.040 12.625 19.388 22.517 -99.200 -91.000 TRP6 203 1.020 14.015 17.623 23.213 -99.200 -91.000 TYR 204 0.840 16.872 26.514 22.581 -99.200 -91.000 TRP 211 1.040 34.547 12.448 13.858 -99.200 -91.000 TRP6 211 1.020 36.227 11.324 15.061 -99.200 -91.000 HIS 220 0.900 37.241 4.032 20.537 -99.200 -91.000 PHE 221 1.000 32.695 8.419 25.691 -99.200 -91.000 TYR 224 0.840 26.837 13.112 18.349 -99.200 -91.000 TYR 230 0.840 30.951 25.063 12.168 -99.200 -91.000 TRP 233 1.040 30.122 29.512 7.321 -99.200 -91.000 TRP6 233 1.020 28.890 27.562 6.775 -99.200 -91.000 PHE 252 1.000 34.008 28.458 10.555 -99.200 -91.000