============================================================================= 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 8.224 116.806 9.611 -99.200 -91.000 TRP6 7 1.020 6.993 118.823 9.458 -99.200 -91.000 TRP 26 1.040 0.385 95.173 7.981 -99.200 -91.000 TRP6 26 1.020 -1.860 95.851 7.670 -99.200 -91.000 PHE 28 1.000 1.662 99.131 15.665 -99.200 -91.000 TRP 38 1.040 -6.636 114.484 12.544 -99.200 -91.000 TRP6 38 1.020 -8.404 114.875 11.015 -99.200 -91.000 PHE 39 1.000 0.472 118.870 15.192 -99.200 -91.000 HIS 43 0.900 -7.855 118.416 11.320 -99.200 -91.000 PHE 72 1.000 -1.194 105.234 3.646 -99.200 -91.000 TRP 74 1.040 -10.249 98.085 4.385 -99.200 -91.000 TRP6 74 1.020 -10.618 99.132 6.472 -99.200 -91.000 TYR 83 0.840 -13.430 103.024 13.265 -99.200 -91.000 TYR 88 0.840 -11.196 98.275 16.383 -99.200 -91.000 TYR 90 0.840 -1.428 96.107 18.485 -99.200 -91.000 HIS 105 0.900 -14.621 100.330 17.131 -99.200 -91.000 HIS 114 0.900 -2.361 105.549 -1.879 -99.200 -91.000 TRP 127 1.040 5.697 114.991 -0.792 -99.200 -91.000 TRP6 127 1.020 4.673 114.168 1.174 -99.200 -91.000 TRP 143 1.040 16.761 98.193 10.683 -99.200 -91.000 TRP6 143 1.020 15.009 99.780 10.679 -99.200 -91.000 TYR 146 0.840 19.989 101.483 15.906 -99.200 -91.000 HIS 161 0.900 9.693 97.009 10.558 -99.200 -91.000 TYR 168 0.840 16.000 116.357 5.587 -99.200 -91.000 TYR 175 0.840 21.195 112.014 11.832 -99.200 -91.000 TRP 176 1.040 16.844 108.849 4.995 -99.200 -91.000 TRP6 176 1.020 15.440 110.587 4.208 -99.200 -91.000 TRP 182 1.040 9.969 96.207 16.059 -99.200 -91.000 TRP6 182 1.020 12.032 95.730 15.000 -99.200 -91.000 TRP 186 1.040 15.119 97.889 18.155 -99.200 -91.000 TRP6 186 1.020 15.074 99.631 16.555 -99.200 -91.000 TYR 191 0.840 11.525 108.277 17.117 -99.200 -91.000