============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 6.322 -11.934 12.153 -99.200 -91.000 TRP6 7 1.020 6.783 -13.973 11.040 -99.200 -91.000 TRP 26 1.040 7.343 9.598 3.573 -99.200 -91.000 TRP6 26 1.020 7.995 8.847 1.428 -99.200 -91.000 PHE 28 1.000 13.935 5.902 8.093 -99.200 -91.000 TRP 38 1.040 14.924 -9.669 -0.314 -99.200 -91.000 TRP6 38 1.020 14.250 -10.116 -2.533 -99.200 -91.000 PHE 39 1.000 14.324 -13.995 7.409 -99.200 -91.000 HIS 43 0.900 14.735 -13.813 -2.013 -99.200 -91.000 PHE 72 1.000 4.292 -0.747 0.704 -99.200 -91.000 TRP 74 1.040 8.534 6.301 -7.550 -99.200 -91.000 TRP6 74 1.020 10.595 5.329 -6.926 -99.200 -91.000 TYR 83 0.840 18.139 1.827 -6.495 -99.200 -91.000 TYR 88 0.840 19.862 6.817 -3.293 -99.200 -91.000 TYR 90 0.840 17.654 9.183 6.287 -99.200 -91.000 HIS 105 0.900 22.044 4.708 -5.921 -99.200 -91.000 HIS 114 0.900 -0.479 -1.200 -2.448 -99.200 -91.000 TRP 127 1.040 -2.141 -10.575 5.338 -99.200 -91.000 TRP6 127 1.020 0.061 -9.709 5.206 -99.200 -91.000 TRP 143 1.040 3.029 6.794 19.897 -99.200 -91.000 TRP6 143 1.020 3.794 5.230 18.311 -99.200 -91.000 TYR 146 0.840 6.516 3.473 25.006 -99.200 -91.000 HIS 161 0.900 5.847 8.128 13.430 -99.200 -91.000 TYR 168 0.840 -0.615 -11.783 17.426 -99.200 -91.000 TYR 175 0.840 2.764 -7.060 24.688 -99.200 -91.000 TRP 176 1.040 -1.787 -4.143 17.807 -99.200 -91.000 TRP6 176 1.020 -1.815 -5.890 16.215 -99.200 -91.000 TRP 182 1.040 10.564 9.137 15.926 -99.200 -91.000 TRP6 182 1.020 8.741 9.522 17.386 -99.200 -91.000 TRP 186 1.040 10.504 7.330 21.515 -99.200 -91.000 TRP6 186 1.020 9.180 5.547 20.715 -99.200 -91.000 TYR 191 0.840 11.593 -2.935 18.010 -99.200 -91.000