============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 7 1.000 1.771 11.516 26.049 -99.200 -91.000 PHE 26 1.000 9.404 10.123 31.262 -99.200 -91.000 PHE 31 1.000 14.645 0.725 42.169 -99.200 -91.000 HIS 32 0.900 12.010 6.455 46.190 -99.200 -91.000 PHE 34 1.000 14.279 -0.949 51.335 -99.200 -91.000 PHE 43 1.000 -1.460 14.174 37.041 -99.200 -91.000 PHE 57 1.000 5.821 11.868 28.196 -99.200 -91.000 TRP 60 1.040 -4.506 10.298 35.625 -99.200 -91.000 TRP6 60 1.020 -5.268 10.747 37.811 -99.200 -91.000 TYR 68 0.840 -6.737 -0.136 45.103 -99.200 -91.000 HIS 69 0.900 -10.473 -5.127 36.381 -99.200 -91.000 TYR 75 0.840 -7.543 6.468 38.165 -99.200 -91.000 TYR 76 0.840 -9.756 1.793 30.881 -99.200 -91.000 TYR 86 0.840 5.901 -8.692 30.699 -99.200 -91.000 PHE 94 1.000 3.730 -12.344 28.499 -99.200 -91.000 TRP 100 1.040 -4.352 -4.567 33.787 -99.200 -91.000 TRP6 100 1.020 -6.223 -3.266 34.428 -99.200 -91.000 PHE 131 1.000 13.204 -9.007 23.678 -99.200 -91.000 TYR 137 0.840 0.354 -10.013 24.141 -99.200 -91.000 PHE 145 1.000 8.566 -6.749 24.992 -99.200 -91.000 PHE 160 1.000 7.376 6.704 31.006 -99.200 -91.000