============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 14 1.000 14.021 0.661 6.569 -99.200 -91.000 PHE 16 1.000 9.549 -5.740 15.793 -99.200 -91.000 PHE 35 1.000 -8.575 2.133 8.202 -99.200 -91.000 TYR 44 0.840 -14.533 -7.200 -5.646 -99.200 -91.000 HIS 55 0.900 -2.419 18.096 -2.398 -99.200 -91.000 TRP 58 1.040 -5.985 3.994 -5.243 -99.200 -91.000 TRP6 58 1.020 -7.919 2.665 -4.884 -99.200 -91.000 HIS 61 0.900 -15.849 7.519 -8.963 -99.200 -91.000 TYR 65 0.840 -10.018 1.906 -10.015 -99.200 -91.000 TYR 67 0.840 -3.590 8.227 -6.803 -99.200 -91.000 TRP 78 1.040 -7.829 12.293 0.841 -99.200 -91.000 TRP6 78 1.020 -9.248 10.460 1.401 -99.200 -91.000 PHE 85 1.000 1.250 6.913 8.510 -99.200 -91.000 HIS 86 0.900 7.776 13.293 4.360 -99.200 -91.000 TYR 98 0.840 13.663 3.066 -6.433 -99.200 -91.000 PHE 101 1.000 8.438 7.826 -2.819 -99.200 -91.000 TYR 111 0.840 -5.028 -6.070 2.950 -99.200 -91.000 HIS 120 0.900 -3.131 -3.896 -7.250 -99.200 -91.000 PHE 143 1.000 3.678 -7.772 -2.531 -99.200 -91.000 PHE 145 1.000 7.002 -7.221 -7.280 -99.200 -91.000 HIS 161 0.900 4.235 -5.416 13.617 -99.200 -91.000 TRP 167 1.040 6.117 -2.133 -6.871 -99.200 -91.000 TRP6 167 1.020 5.105 -2.573 -4.776 -99.200 -91.000 PHE 174 1.000 8.150 -6.413 -13.073 -99.200 -91.000 TYR 175 0.840 -0.678 -7.268 -14.275 -99.200 -91.000 HIS 176 0.900 1.297 -4.377 -6.929 -99.200 -91.000 PHE 185 1.000 -3.500 -11.186 19.992 -99.200 -91.000 HIS 186 0.900 1.242 -8.091 15.412 -99.200 -91.000 TYR 194 0.840 -4.448 -1.143 10.923 -99.200 -91.000 PHE 198 1.000 4.314 5.999 3.379 -99.200 -91.000