============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 9 1.000 68.325 -10.703 29.147 -99.200 -91.000 HIS 30 0.900 45.812 11.410 15.460 -99.200 -91.000 TYR 36 0.840 50.952 9.067 14.489 -99.200 -91.000 TYR 38 0.840 59.979 5.878 17.907 -99.200 -91.000 TRP 39 1.040 58.469 -2.104 16.546 -99.200 -91.000 TRP6 39 1.020 58.707 -3.444 18.526 -99.200 -91.000 TYR 40 0.840 64.854 3.119 19.847 -99.200 -91.000 TYR 53 0.840 58.015 5.642 8.927 -99.200 -91.000 PHE 66 1.000 64.921 -6.139 10.933 -99.200 -91.000 PHE 75 1.000 51.202 -1.516 19.517 -99.200 -91.000 TYR 90 0.840 66.407 -6.169 17.270 -99.200 -91.000 TYR 91 0.840 66.270 -0.004 23.438 -99.200 -91.000 PHE 102 1.000 62.395 7.478 24.302 -99.200 -91.000 PHE 122 1.000 97.340 -13.113 29.042 -99.200 -91.000 PHE 139 1.000 92.136 -11.082 28.258 -99.200 -91.000 PHE 143 1.000 81.809 -17.353 28.470 -99.200 -91.000 TYR 144 0.840 75.101 -20.274 23.267 -99.200 -91.000 TRP 152 1.040 90.461 -14.146 40.041 -99.200 -91.000 TRP6 152 1.020 92.504 -14.206 38.843 -99.200 -91.000 TRP 167 1.040 80.536 -11.262 32.848 -99.200 -91.000 TRP6 167 1.020 80.396 -9.885 34.750 -99.200 -91.000 TYR 177 0.840 76.663 -14.711 25.363 -99.200 -91.000 TYR 190 0.840 102.570 -10.763 41.410 -99.200 -91.000 HIS 193 0.900 99.700 -14.015 49.255 -99.200 -91.000 TYR 196 0.840 99.349 -14.425 42.761 -99.200 -91.000 HIS 202 0.900 80.199 -22.580 29.630 -99.200 -91.000 PHE 213 1.000 100.761 -16.005 37.581 -99.200 -91.000