============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 9.100 7.497 17.904 -99.200 -91.000 TRP6 14 1.020 7.934 9.458 18.532 -99.200 -91.000 PHE 19 1.000 12.642 -4.518 2.638 -99.200 -91.000 TRP 37 1.040 23.499 11.104 13.035 -99.200 -91.000 TRP6 37 1.020 25.301 9.572 13.022 -99.200 -91.000 HIS 43 0.900 19.782 -8.387 18.667 -99.200 -91.000 TYR 47 0.840 24.529 -13.572 17.956 -99.200 -91.000 TRP 49 1.040 22.811 -17.760 15.497 -99.200 -91.000 TRP6 49 1.020 20.479 -17.352 15.308 -99.200 -91.000 PHE 53 1.000 22.645 -8.138 7.595 -99.200 -91.000 HIS 65 0.900 -0.626 1.461 10.247 -99.200 -91.000 TYR 70 0.840 7.026 2.360 -2.182 -99.200 -91.000 TYR 84 0.840 29.539 5.695 12.566 -99.200 -91.000 HIS 86 0.900 29.410 0.855 23.518 -99.200 -91.000 TYR 89 0.840 26.796 -6.572 19.987 -99.200 -91.000 TRP 91 1.040 30.513 -10.134 19.217 -99.200 -91.000 TRP6 91 1.020 31.631 -12.217 18.934 -99.200 -91.000 PHE 110 1.000 12.877 15.391 10.683 -99.200 -91.000 TYR 113 0.840 1.588 10.261 7.014 -99.200 -91.000 HIS 115 0.900 8.693 15.634 14.487 -99.200 -91.000 TYR 132 0.840 7.200 6.299 37.544 -99.200 -91.000 TRP 139 1.040 5.771 -2.933 10.855 -99.200 -91.000 TRP6 139 1.020 7.451 -1.282 10.990 -99.200 -91.000 PHE 177 1.000 14.600 -0.334 30.073 -99.200 -91.000 TYR 181 0.840 1.190 -5.284 32.322 -99.200 -91.000 PHE 200 1.000 10.123 0.507 27.670 -99.200 -91.000 PHE 206 1.000 8.614 15.709 35.020 -99.200 -91.000 TRP 210 1.040 5.255 10.462 22.761 -99.200 -91.000 TRP6 210 1.020 4.487 8.467 23.803 -99.200 -91.000 TYR 211 0.840 12.384 13.178 26.756 -99.200 -91.000 TRP 218 1.040 18.839 -9.746 26.548 -99.200 -91.000 TRP6 218 1.020 18.352 -11.174 28.392 -99.200 -91.000 TYR 228 0.840 9.254 -10.048 34.533 -99.200 -91.000 PHE 230 1.000 16.212 -9.086 31.094 -99.200 -91.000 TYR 231 0.840 12.387 -3.694 26.209 -99.200 -91.000 HIS 233 0.900 19.470 2.714 31.605 -99.200 -91.000 PHE 235 1.000 21.583 9.440 31.225 -99.200 -91.000 TRP 240 1.040 29.417 4.467 21.009 -99.200 -91.000 TRP6 240 1.020 27.475 3.836 19.806 -99.200 -91.000