============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 7 1.000 14.879 13.793 81.904 -99.200 -91.000 HIS 10 0.900 10.770 16.620 76.565 -99.200 -91.000 TYR 12 0.840 10.950 6.348 71.435 -99.200 -91.000 TYR 15 0.840 16.729 7.840 68.744 -99.200 -91.000 PHE 19 1.000 19.741 11.423 66.718 -99.200 -91.000 PHE 34 1.000 24.290 -0.134 43.237 -99.200 -91.000 HIS 37 0.900 30.321 -5.640 44.717 -99.200 -91.000 TRP 43 1.040 31.680 5.990 37.398 -99.200 -91.000 TRP6 43 1.020 30.347 4.965 35.723 -99.200 -91.000 TRP 51 1.040 25.533 9.679 48.260 -99.200 -91.000 TRP6 51 1.020 26.971 7.792 48.340 -99.200 -91.000 TYR 56 0.840 38.266 10.574 42.365 -99.200 -91.000 HIS 62 0.900 34.261 9.770 46.367 -99.200 -91.000 PHE 64 1.000 39.741 10.997 55.897 -99.200 -91.000 TYR 65 0.840 38.293 14.443 50.901 -99.200 -91.000 PHE 81 1.000 18.998 13.176 71.648 -99.200 -91.000 PHE 88 1.000 22.921 20.332 75.398 -99.200 -91.000 PHE 92 1.000 25.435 31.166 81.684 -99.200 -91.000 TYR 102 0.840 36.557 17.594 75.127 -99.200 -91.000 HIS 105 0.900 34.234 12.672 66.552 -99.200 -91.000 PHE 109 1.000 33.452 6.711 66.740 -99.200 -91.000 PHE 129 1.000 25.237 -3.829 53.474 -99.200 -91.000 PHE 134 1.000 34.683 -0.132 48.316 -99.200 -91.000 PHE 142 1.000 43.072 7.646 53.585 -99.200 -91.000 PHE 150 1.000 31.452 -2.457 59.664 -99.200 -91.000 PHE 152 1.000 31.022 0.185 70.765 -99.200 -91.000 PHE 156 1.000 25.640 -0.230 71.824 -99.200 -91.000 PHE 169 1.000 24.983 3.916 75.528 -99.200 -91.000 PHE 201 1.000 10.499 3.069 85.371 -99.200 -91.000 HIS 202 0.900 12.917 2.934 78.292 -99.200 -91.000 HIS 207 0.900 15.586 -4.494 76.385 -99.200 -91.000 TYR 212 0.840 24.903 -9.194 86.568 -99.200 -91.000 PHE 214 1.000 22.387 1.748 84.935 -99.200 -91.000 HIS 231 0.900 37.880 8.797 64.386 -99.200 -91.000 HIS 248 0.900 33.364 20.334 58.070 -99.200 -91.000 TYR 255 0.840 38.622 14.245 64.715 -99.200 -91.000