============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 7 0.840 10.677 1.355 -8.765 -99.200 -91.000 TRP 12 1.040 3.291 -7.890 -5.377 -99.200 -91.000 TRP6 12 1.020 5.417 -7.002 -5.909 -99.200 -91.000 PHE 16 1.000 3.848 -8.812 3.583 -99.200 -91.000 PHE 21 1.000 9.810 -19.090 7.495 -99.200 -91.000 TRP 55 1.040 20.143 9.155 2.660 -99.200 -91.000 TRP6 55 1.020 20.481 11.356 1.876 -99.200 -91.000 TYR 56 0.840 27.208 4.050 0.704 -99.200 -91.000 HIS 58 0.900 22.591 -1.262 3.169 -99.200 -91.000 HIS 62 0.900 12.606 -10.538 5.273 -99.200 -91.000 TRP 73 1.040 13.669 -3.855 6.298 -99.200 -91.000 TRP6 73 1.020 12.764 -5.520 7.719 -99.200 -91.000 TYR 83 0.840 19.461 -3.158 7.160 -99.200 -91.000 TYR 86 0.840 26.935 1.572 11.104 -99.200 -91.000 HIS 88 0.900 17.893 0.859 9.441 -99.200 -91.000 PHE 92 1.000 10.275 -0.718 7.522 -99.200 -91.000 PHE 102 1.000 16.249 7.992 12.076 -99.200 -91.000 TRP 118 1.040 19.527 16.374 18.780 -99.200 -91.000 TRP6 118 1.020 17.358 15.769 18.088 -99.200 -91.000 PHE 125 1.000 11.152 13.753 18.638 -99.200 -91.000 TRP 128 1.040 11.775 16.359 12.417 -99.200 -91.000 TRP6 128 1.020 11.063 14.198 13.063 -99.200 -91.000 PHE 138 1.000 4.831 2.577 11.396 -99.200 -91.000 HIS 142 0.900 6.290 -5.599 19.322 -99.200 -91.000 TRP 153 1.040 7.535 7.841 22.374 -99.200 -91.000 TRP6 153 1.020 9.158 9.046 21.148 -99.200 -91.000 PHE 158 1.000 11.606 6.330 22.413 -99.200 -91.000 PHE 174 1.000 6.449 10.821 8.693 -99.200 -91.000 PHE 178 1.000 0.899 -0.433 -2.119 -99.200 -91.000 PHE 192 1.000 12.028 9.591 8.758 -99.200 -91.000 TYR 196 0.840 21.051 8.885 7.679 -99.200 -91.000