============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 7 1.040 6.310 43.739 24.220 -99.200 -91.000 TRP6 7 1.020 4.568 43.991 25.800 -99.200 -91.000 TRP 26 1.040 11.865 24.187 14.105 -99.200 -91.000 TRP6 26 1.020 10.214 23.084 15.391 -99.200 -91.000 PHE 28 1.000 16.075 27.222 21.431 -99.200 -91.000 HIS 61 0.900 10.374 18.073 8.306 -99.200 -91.000 PHE 68 1.000 8.231 31.461 12.177 -99.200 -91.000 PHE 70 1.000 2.817 22.607 9.061 -99.200 -91.000 TYR 72 0.840 2.915 30.565 17.101 -99.200 -91.000 TYR 74 0.840 3.417 19.471 20.045 -99.200 -91.000 TYR 87 0.840 10.608 16.977 26.534 -99.200 -91.000 TYR 89 0.840 18.027 22.889 22.546 -99.200 -91.000 TYR 108 0.840 -1.694 29.588 13.990 -99.200 -91.000 PHE 113 1.000 2.227 36.997 4.450 -99.200 -91.000 PHE 139 1.000 21.204 38.043 11.179 -99.200 -91.000 TYR 142 0.840 24.318 43.159 15.298 -99.200 -91.000 PHE 147 1.000 22.743 43.385 9.345 -99.200 -91.000 HIS 157 0.900 17.831 32.258 12.619 -99.200 -91.000 TYR 164 0.840 7.410 49.862 18.132 -99.200 -91.000 TYR 168 0.840 16.762 50.699 17.419 -99.200 -91.000 TRP 169 1.040 11.415 46.084 12.539 -99.200 -91.000 TRP6 169 1.020 9.264 46.673 13.310 -99.200 -91.000 TRP 175 1.040 22.017 31.692 15.973 -99.200 -91.000 TRP6 175 1.020 22.684 33.013 14.126 -99.200 -91.000 TYR 178 0.840 29.555 34.406 25.869 -99.200 -91.000 TRP 179 1.040 25.170 36.645 16.365 -99.200 -91.000 TRP6 179 1.020 23.107 37.797 16.175 -99.200 -91.000 TYR 184 0.840 17.599 40.426 23.290 -99.200 -91.000 TYR 203 0.840 2.217 33.139 10.570 -99.200 -91.000 TYR 204 0.840 -0.749 38.725 16.590 -99.200 -91.000