============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 0.384 -8.181 -8.574 -99.200 -91.000 PHE 29 1.000 -4.735 -7.394 -12.010 -99.200 -91.000 TYR 32 0.840 -2.155 -8.267 -4.020 -99.200 -91.000 TRP 33 1.040 -9.087 -3.395 -2.525 -99.200 -91.000 TRP6 33 1.020 -10.782 -1.745 -2.524 -99.200 -91.000 TRP 36 1.040 -5.619 3.158 -13.662 -99.200 -91.000 TRP6 36 1.020 -3.890 2.903 -15.247 -99.200 -91.000 TRP 47 1.040 -5.958 7.530 -5.230 -99.200 -91.000 TRP6 47 1.020 -8.311 7.620 -4.993 -99.200 -91.000 TYR 60 0.840 -14.029 6.521 -11.114 -99.200 -91.000 PHE 68 1.000 -10.000 11.266 -14.275 -99.200 -91.000 TYR 80 0.840 -8.149 -3.242 -19.785 -99.200 -91.000 TYR 94 0.840 -2.681 9.988 -17.101 -99.200 -91.000 TYR 95 0.840 3.967 7.382 -12.528 -99.200 -91.000 PHE 101 1.000 -8.501 -2.456 1.293 -99.200 -91.000 TYR 104 0.840 -8.961 -9.175 10.971 -99.200 -91.000 HIS 106 0.900 -7.224 -1.222 12.284 -99.200 -91.000 TYR 107 0.840 0.814 -1.837 5.636 -99.200 -91.000 TYR 111 0.840 6.092 -4.726 -5.553 -99.200 -91.000 TRP 112 1.040 4.078 3.390 -6.584 -99.200 -91.000 TRP6 112 1.020 3.075 5.506 -6.875 -99.200 -91.000 PHE 131 1.000 21.835 18.378 -34.853 -99.200 -91.000 TYR 154 0.840 12.534 15.659 -27.493 -99.200 -91.000 PHE 155 1.000 4.441 18.583 -28.856 -99.200 -91.000 TRP 163 1.040 25.330 8.169 -23.274 -99.200 -91.000 TRP6 163 1.020 26.435 9.343 -25.014 -99.200 -91.000 HIS 173 0.900 25.522 13.750 -14.171 -99.200 -91.000 PHE 175 1.000 22.679 17.911 -17.642 -99.200 -91.000 TYR 185 0.840 8.741 19.140 -24.618 -99.200 -91.000 TYR 203 0.840 33.500 7.164 -25.106 -99.200 -91.000 HIS 209 0.900 9.780 11.525 -30.400 -99.200 -91.000