============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 4 0.840 38.724 -18.561 16.900 -99.200 -91.000 PHE 5 1.000 32.670 -10.062 18.392 -99.200 -91.000 TRP 10 1.040 23.743 -11.339 29.520 -99.200 -91.000 TRP6 10 1.020 24.510 -9.723 31.066 -99.200 -91.000 PHE 26 1.000 29.359 -13.688 32.183 -99.200 -91.000 PHE 31 1.000 38.437 -11.960 28.339 -99.200 -91.000 PHE 41 1.000 26.445 -7.168 21.725 -99.200 -91.000 HIS 46 0.900 18.846 -5.000 33.166 -99.200 -91.000 TYR 47 0.840 26.444 0.068 27.622 -99.200 -91.000 HIS 49 0.900 23.734 -3.203 37.931 -99.200 -91.000 PHE 58 1.000 34.296 -10.224 30.770 -99.200 -91.000 PHE 68 1.000 13.453 6.544 11.468 -99.200 -91.000 TYR 73 0.840 13.299 10.057 13.860 -99.200 -91.000 TYR 89 0.840 32.128 -4.719 19.748 -99.200 -91.000 HIS 94 0.900 18.466 -12.109 17.665 -99.200 -91.000 TRP 95 1.040 15.343 -15.421 15.514 -99.200 -91.000 TRP6 95 1.020 13.268 -16.445 15.050 -99.200 -91.000 TYR 100 0.840 8.905 -12.451 18.446 -99.200 -91.000 PHE 101 1.000 9.702 -6.206 18.391 -99.200 -91.000 HIS 102 0.900 5.905 -7.377 11.311 -99.200 -91.000 PHE 126 1.000 24.439 -13.193 7.587 -99.200 -91.000 PHE 149 1.000 25.021 -7.213 6.136 -99.200 -91.000 PHE 156 1.000 35.534 -5.699 4.821 -99.200 -91.000 TYR 163 0.840 23.687 -19.888 8.994 -99.200 -91.000 TRP 167 1.040 18.703 -24.277 9.245 -99.200 -91.000 TRP6 167 1.020 19.338 -26.470 9.871 -99.200 -91.000 HIS 184 0.900 29.560 -19.758 10.138 -99.200 -91.000 TYR 207 0.840 25.685 -22.149 14.962 -99.200 -91.000 PHE 228 1.000 31.066 -20.549 19.589 -99.200 -91.000 PHE 239 1.000 29.250 -16.073 27.522 -99.200 -91.000