============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 30 0.900 -11.910 16.300 28.283 -99.200 -91.000 TYR 36 0.840 -9.034 21.144 27.382 -99.200 -91.000 HIS 38 0.900 -3.309 24.460 26.610 -99.200 -91.000 TRP 39 1.040 1.868 25.688 20.208 -99.200 -91.000 TRP6 39 1.020 3.893 24.576 19.707 -99.200 -91.000 TYR 40 0.840 2.455 27.622 28.406 -99.200 -91.000 TYR 53 0.840 -7.071 30.505 24.979 -99.200 -91.000 PHE 59 1.000 -3.464 34.301 28.496 -99.200 -91.000 PHE 66 1.000 3.969 35.409 18.687 -99.200 -91.000 PHE 75 1.000 -1.888 19.089 18.582 -99.200 -91.000 TYR 90 0.840 8.702 31.172 20.543 -99.200 -91.000 PHE 91 1.000 7.150 26.088 27.901 -99.200 -91.000 HIS 97 0.900 -4.928 12.095 27.573 -99.200 -91.000 PHE 101 1.000 4.557 21.695 31.157 -99.200 -91.000 PHE 121 1.000 37.727 43.608 31.309 -99.200 -91.000 PHE 138 1.000 32.176 41.202 27.201 -99.200 -91.000 PHE 142 1.000 30.618 36.865 19.529 -99.200 -91.000 TYR 143 0.840 24.077 35.883 13.934 -99.200 -91.000 TRP 151 1.040 43.094 32.934 26.446 -99.200 -91.000 TRP6 151 1.020 43.186 34.968 27.647 -99.200 -91.000 TRP 166 1.040 29.680 32.026 22.694 -99.200 -91.000 TRP6 166 1.020 31.232 30.287 23.094 -99.200 -91.000 TYR 176 0.840 24.508 34.300 19.789 -99.200 -91.000 TYR 189 0.840 48.809 37.330 36.163 -99.200 -91.000 HIS 192 0.900 54.626 32.340 31.895 -99.200 -91.000 TYR 195 0.840 49.707 36.566 31.488 -99.200 -91.000 HIS 201 0.900 32.421 36.554 14.214 -99.200 -91.000 PHE 212 1.000 47.232 41.585 31.056 -99.200 -91.000