============================================================================= 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 8.044 12.182 10.881 -99.200 -91.000 TRP6 7 1.020 6.926 14.265 10.852 -99.200 -91.000 TRP 26 1.040 0.125 -8.921 7.660 -99.200 -91.000 TRP6 26 1.020 -2.107 -8.173 7.418 -99.200 -91.000 PHE 28 1.000 1.460 -5.740 15.711 -99.200 -91.000 TRP 38 1.040 -6.727 9.842 13.620 -99.200 -91.000 TRP6 38 1.020 -8.344 10.378 11.978 -99.200 -91.000 PHE 39 1.000 0.493 13.996 16.557 -99.200 -91.000 HIS 43 0.900 -7.867 14.024 12.685 -99.200 -91.000 PHE 72 1.000 -1.355 1.307 4.015 -99.200 -91.000 TRP 74 1.040 -10.449 -5.721 4.322 -99.200 -91.000 TRP6 74 1.020 -10.741 -4.861 6.504 -99.200 -91.000 TYR 83 0.840 -13.499 -1.667 13.504 -99.200 -91.000 TYR 88 0.840 -11.251 -6.602 16.402 -99.200 -91.000 TYR 90 0.840 -1.622 -8.913 18.189 -99.200 -91.000 HIS 105 0.900 -14.806 -4.522 17.311 -99.200 -91.000 HIS 114 0.900 -2.449 2.065 -1.259 -99.200 -91.000 TRP 127 1.040 5.604 11.220 0.155 -99.200 -91.000 TRP6 127 1.020 4.379 10.281 1.945 -99.200 -91.000 TRP 143 1.040 16.556 -6.322 10.646 -99.200 -91.000 TRP6 143 1.020 14.781 -4.767 10.811 -99.200 -91.000 TYR 146 0.840 19.741 -3.282 16.066 -99.200 -91.000 HIS 161 0.900 9.542 -7.542 10.401 -99.200 -91.000 TYR 168 0.840 15.876 12.130 6.741 -99.200 -91.000 TYR 175 0.840 21.136 7.343 12.775 -99.200 -91.000 TRP 176 1.040 16.757 4.562 5.706 -99.200 -91.000 TRP6 176 1.020 15.408 6.375 4.995 -99.200 -91.000 TRP 182 1.040 9.788 -8.697 15.771 -99.200 -91.000 TRP6 182 1.020 11.791 -9.176 14.606 -99.200 -91.000 TRP 186 1.040 14.964 -7.160 18.064 -99.200 -91.000 TRP6 186 1.020 14.847 -5.292 16.620 -99.200 -91.000 TYR 191 0.840 11.416 3.312 17.919 -99.200 -91.000