============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 41.771 -4.111 14.844 -99.200 -91.000 TYR 21 0.840 21.957 1.194 -2.652 -99.200 -91.000 TRP 31 1.040 30.447 10.143 1.320 -99.200 -91.000 TRP6 31 1.020 29.628 11.114 -0.657 -99.200 -91.000 TRP 41 1.040 35.755 -0.249 5.903 -99.200 -91.000 TRP6 41 1.020 34.974 -1.805 4.299 -99.200 -91.000 PHE 43 1.000 40.999 -3.497 9.435 -99.200 -91.000 PHE 70 1.000 30.129 -11.763 -4.084 -99.200 -91.000 TRP 82 1.040 41.273 -7.559 1.533 -99.200 -91.000 TRP6 82 1.020 41.868 -6.521 -0.495 -99.200 -91.000 TYR 117 0.840 56.573 0.318 -2.493 -99.200 -91.000 TRP 123 1.040 44.774 2.726 1.102 -99.200 -91.000 TRP6 123 1.020 42.826 3.839 0.360 -99.200 -91.000 TYR 139 0.840 72.184 18.244 12.604 -99.200 -91.000 TRP 154 1.040 64.428 26.680 4.949 -99.200 -91.000 TRP6 154 1.020 63.941 27.348 2.737 -99.200 -91.000 TRP 167 1.040 55.542 20.003 8.999 -99.200 -91.000 TRP6 167 1.020 55.816 20.547 6.713 -99.200 -91.000 TYR 170 0.840 45.254 15.632 4.888 -99.200 -91.000 TYR 190 0.840 60.325 8.813 -7.484 -99.200 -91.000 TRP 209 1.040 57.062 12.062 2.333 -99.200 -91.000 TRP6 209 1.020 59.368 11.964 1.848 -99.200 -91.000 PHE 210 1.000 57.101 2.989 7.775 -99.200 -91.000 PHE 211 1.000 56.364 10.831 10.137 -99.200 -91.000 PHE 241 1.000 73.326 10.183 1.548 -99.200 -91.000 TRP 251 1.040 63.802 13.456 10.185 -99.200 -91.000 TRP6 251 1.020 64.045 15.736 9.657 -99.200 -91.000