============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 9 1.000 42.771 1.238 25.423 -99.200 -91.000 PHE 13 1.000 39.996 2.509 28.937 -99.200 -91.000 TRP 17 1.040 42.343 14.026 22.217 -99.200 -91.000 TRP6 17 1.020 40.675 14.547 23.816 -99.200 -91.000 PHE 41 1.000 55.416 11.854 30.534 -99.200 -91.000 TYR 46 0.840 49.138 2.337 39.152 -99.200 -91.000 PHE 52 1.000 37.932 -6.286 40.604 -99.200 -91.000 PHE 53 1.000 42.440 -2.383 46.165 -99.200 -91.000 TYR 79 0.840 44.855 15.782 26.827 -99.200 -91.000 PHE 84 1.000 44.459 -2.338 30.456 -99.200 -91.000 PHE 130 1.000 52.187 -8.050 36.545 -99.200 -91.000 HIS 144 0.900 56.796 29.011 39.815 -99.200 -91.000 TRP 145 1.040 51.945 24.523 45.452 -99.200 -91.000 TRP6 145 1.020 49.978 23.315 44.949 -99.200 -91.000 HIS 165 0.900 46.475 0.527 48.853 -99.200 -91.000 HIS 218 0.900 64.092 9.722 55.882 -99.200 -91.000 PHE 220 1.000 57.929 17.394 51.341 -99.200 -91.000 PHE 255 1.000 51.807 -0.384 57.708 -99.200 -91.000 HIS 278 0.900 40.309 19.465 59.448 -99.200 -91.000 HIS 280 0.900 37.039 17.072 48.704 -99.200 -91.000 TYR 304 0.840 59.058 9.920 79.103 -99.200 -91.000 HIS 314 0.900 69.042 -3.222 54.680 -99.200 -91.000