============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 6 1.000 19.864 29.619 20.201 -99.200 -91.000 TYR 16 0.840 20.418 24.108 19.577 -99.200 -91.000 PHE 19 1.000 15.499 27.894 19.502 -99.200 -91.000 TYR 35 0.840 4.926 2.903 21.092 -99.200 -91.000 TYR 49 0.840 -0.020 30.371 10.661 -99.200 -91.000 TYR 72 0.840 7.432 21.023 5.648 -99.200 -91.000 TYR 76 0.840 14.165 35.866 5.629 -99.200 -91.000 TYR 80 0.840 16.247 47.825 4.073 -99.200 -91.000 TYR 86 0.840 5.417 41.754 3.693 -99.200 -91.000 HIS 87 0.900 13.120 39.181 3.685 -99.200 -91.000 PHE 89 1.000 11.037 29.390 1.949 -99.200 -91.000 TYR 118 0.840 14.905 30.999 -2.992 -99.200 -91.000 TYR 122 0.840 16.052 20.217 3.718 -99.200 -91.000 PHE 157 1.000 18.917 39.329 1.492 -99.200 -91.000 PHE 165 1.000 18.592 33.029 8.043 -99.200 -91.000 PHE 179 1.000 14.005 13.633 12.706 -99.200 -91.000 TYR 181 0.840 22.019 11.565 14.937 -99.200 -91.000 PHE 190 1.000 25.960 25.538 21.340 -99.200 -91.000 PHE 194 1.000 26.815 20.138 12.976 -99.200 -91.000 TRP 207 1.040 9.264 14.516 11.660 -99.200 -91.000 TRP6 207 1.020 7.743 16.235 11.135 -99.200 -91.000 HIS 215 0.900 -0.996 6.957 14.975 -99.200 -91.000 TRP 236 1.040 18.846 2.377 12.444 -99.200 -91.000 TRP6 236 1.020 18.280 4.568 13.107 -99.200 -91.000 TYR 253 0.840 -3.054 15.064 13.237 -99.200 -91.000