============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 21 1.040 16.566 -1.569 5.040 -99.200 -91.000 TRP6 21 1.020 18.086 -0.087 3.974 -99.200 -91.000 HIS 23 0.900 10.944 4.004 11.792 -99.200 -91.000 TRP 47 1.040 9.970 11.918 16.936 -99.200 -91.000 TRP6 47 1.020 10.474 11.895 19.266 -99.200 -91.000 PHE 63 1.000 13.318 -0.367 1.614 -99.200 -91.000 HIS 74 0.900 5.719 3.540 24.561 -99.200 -91.000 HIS 76 0.900 4.452 7.409 27.085 -99.200 -91.000 HIS 94 0.900 -1.239 -5.690 12.825 -99.200 -91.000 TYR 108 0.840 -2.765 10.596 20.618 -99.200 -91.000 PHE 123 1.000 3.297 -8.637 9.282 -99.200 -91.000 PHE 131 1.000 7.377 -11.698 26.427 -99.200 -91.000 TYR 132 0.840 2.233 -6.373 29.040 -99.200 -91.000 HIS 137 0.900 8.557 4.581 28.238 -99.200 -91.000 TRP 145 1.040 12.651 -13.293 18.832 -99.200 -91.000 TRP6 145 1.020 14.856 -12.748 19.417 -99.200 -91.000 TYR 149 0.840 16.205 -11.346 9.470 -99.200 -91.000 TYR 173 0.840 2.805 1.106 36.043 -99.200 -91.000 TRP 177 1.040 11.853 -0.497 32.715 -99.200 -91.000 TRP6 177 1.020 11.765 1.841 32.534 -99.200 -91.000 TYR 188 0.840 12.202 -12.780 22.743 -99.200 -91.000 HIS 198 0.900 13.325 7.784 22.213 -99.200 -91.000 HIS 209 0.900 22.736 1.956 30.320 -99.200 -91.000