============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 32 1.000 21.029 11.578 -5.172 -99.200 -91.000 HIS 33 0.900 21.053 19.776 -1.557 -99.200 -91.000 TRP 34 1.040 21.246 12.614 1.427 -99.200 -91.000 TRP6 34 1.020 20.282 10.547 0.800 -99.200 -91.000 TRP 36 1.040 16.979 14.036 9.772 -99.200 -91.000 TRP6 36 1.020 16.562 11.812 10.465 -99.200 -91.000 TYR 47 0.840 12.696 21.438 5.014 -99.200 -91.000 TYR 50 0.840 18.811 22.264 1.911 -99.200 -91.000 TYR 52 0.840 25.309 19.171 -2.189 -99.200 -91.000 TYR 53 0.840 28.361 15.601 -2.039 -99.200 -91.000 TYR 59 0.840 20.005 23.214 10.481 -99.200 -91.000 PHE 78 1.000 19.968 11.864 6.214 -99.200 -91.000 TYR 92 0.840 10.812 13.630 14.974 -99.200 -91.000 TYR 93 0.840 7.517 9.257 7.935 -99.200 -91.000 PHE 98 1.000 11.484 15.690 -5.894 -99.200 -91.000 TYR 101 0.840 21.343 22.574 -6.753 -99.200 -91.000 HIS 102 0.900 16.672 29.605 -8.363 -99.200 -91.000 TYR 103 0.840 24.597 28.072 -11.054 -99.200 -91.000 PHE 108 1.000 17.955 20.978 -3.253 -99.200 -91.000 PHE 113 1.000 10.958 16.461 1.258 -99.200 -91.000 TRP 116 1.040 9.222 10.080 1.330 -99.200 -91.000 TRP6 116 1.020 8.383 11.647 2.892 -99.200 -91.000 PHE 135 1.000 -13.761 15.722 37.634 -99.200 -91.000 TYR 158 0.840 -6.864 7.554 31.114 -99.200 -91.000 PHE 159 1.000 1.737 7.723 30.835 -99.200 -91.000 TRP 167 1.040 -21.576 3.324 31.431 -99.200 -91.000 TRP6 167 1.020 -22.156 5.380 32.447 -99.200 -91.000 HIS 177 0.900 -19.410 5.801 20.630 -99.200 -91.000 PHE 179 1.000 -17.816 9.184 21.820 -99.200 -91.000 TYR 189 0.840 -2.818 8.721 26.846 -99.200 -91.000 TYR 207 0.840 -29.153 5.392 33.347 -99.200 -91.000 HIS 213 0.900 -4.878 4.007 34.951 -99.200 -91.000