============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 14 1.000 10.344 30.212 1.619 -99.200 -91.000 PHE 26 1.000 25.290 36.620 -3.801 -99.200 -91.000 HIS 27 0.900 31.904 31.733 -3.915 -99.200 -91.000 TYR 30 0.840 27.397 40.249 -6.718 -99.200 -91.000 TYR 46 0.840 12.877 38.259 16.749 -99.200 -91.000 PHE 74 1.000 0.604 27.804 1.722 -99.200 -91.000 PHE 82 1.000 -4.609 10.688 6.879 -99.200 -91.000 HIS 86 0.900 -5.802 7.340 8.480 -99.200 -91.000 HIS 91 0.900 -17.380 21.853 6.165 -99.200 -91.000 TYR 100 0.840 -5.433 10.908 13.786 -99.200 -91.000 TYR 104 0.840 4.014 25.498 11.143 -99.200 -91.000 PHE 105 1.000 4.941 22.623 18.096 -99.200 -91.000 PHE 114 1.000 -4.011 22.590 8.588 -99.200 -91.000 HIS 115 0.900 -7.173 30.952 9.333 -99.200 -91.000 PHE 116 1.000 -9.031 23.918 4.731 -99.200 -91.000 TYR 129 0.840 -1.561 17.740 17.445 -99.200 -91.000 TYR 138 0.840 2.421 21.380 7.807 -99.200 -91.000 PHE 154 1.000 8.443 25.901 -2.258 -99.200 -91.000 TRP 170 1.040 -14.518 23.630 1.557 -99.200 -91.000 TRP6 170 1.020 -15.336 25.423 2.849 -99.200 -91.000 TYR 177 0.840 5.671 40.813 1.990 -99.200 -91.000 TYR 180 0.840 15.993 45.949 2.957 -99.200 -91.000 HIS 185 0.900 18.660 53.787 3.904 -99.200 -91.000 PHE 193 1.000 21.183 36.983 -0.149 -99.200 -91.000 TRP 196 1.040 21.463 35.235 -6.927 -99.200 -91.000 TRP6 196 1.020 21.131 33.820 -5.061 -99.200 -91.000