============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 34 0.840 32.558 11.513 54.315 -99.200 -91.000 TYR 36 0.840 31.197 6.453 50.067 -99.200 -91.000 HIS 38 0.900 35.367 7.167 44.163 -99.200 -91.000 TRP 39 1.040 33.550 11.424 37.483 -99.200 -91.000 TRP6 39 1.020 32.075 10.972 35.687 -99.200 -91.000 TYR 40 0.840 39.723 4.661 38.169 -99.200 -91.000 TYR 53 0.840 40.382 11.934 46.253 -99.200 -91.000 PHE 66 1.000 41.156 15.842 32.817 -99.200 -91.000 PHE 75 1.000 27.323 11.524 42.095 -99.200 -91.000 HIS 80 0.900 36.397 25.636 29.542 -99.200 -91.000 TYR 90 0.840 37.801 11.154 29.638 -99.200 -91.000 TYR 91 0.840 35.488 2.903 30.857 -99.200 -91.000 TYR 94 0.840 29.007 2.435 45.177 -99.200 -91.000 PHE 98 1.000 38.270 -1.709 53.613 -99.200 -91.000 TRP 100 1.040 36.328 -0.988 43.314 -99.200 -91.000 TRP6 100 1.020 38.241 -0.829 41.933 -99.200 -91.000 PHE 102 1.000 35.571 0.107 36.779 -99.200 -91.000 PHE 120 1.000 52.811 9.396 1.977 -99.200 -91.000 PHE 122 1.000 54.718 2.411 1.222 -99.200 -91.000 PHE 143 1.000 42.492 10.065 7.557 -99.200 -91.000 TYR 144 0.840 38.675 15.734 13.047 -99.200 -91.000 TRP 152 1.040 43.141 -1.018 -2.445 -99.200 -91.000 TRP6 152 1.020 45.433 -0.568 -2.814 -99.200 -91.000 TYR 177 0.840 40.651 9.870 13.829 -99.200 -91.000 TYR 190 0.840 51.774 -7.329 -8.683 -99.200 -91.000 HIS 193 0.900 44.443 -7.945 -13.576 -99.200 -91.000 TYR 196 0.840 48.309 -4.344 -9.614 -99.200 -91.000 HIS 202 0.900 39.429 13.740 4.898 -99.200 -91.000 PHE 213 1.000 52.291 -0.517 -7.904 -99.200 -91.000