============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 4 0.840 54.870 -2.153 39.347 -99.200 -91.000 TYR 8 0.840 56.115 1.357 45.510 -99.200 -91.000 HIS 9 0.900 55.507 -2.083 49.367 -99.200 -91.000 TYR 18 0.840 68.759 10.521 46.985 -99.200 -91.000 PHE 33 1.000 73.268 6.632 45.228 -99.200 -91.000 PHE 40 1.000 77.333 12.666 34.440 -99.200 -91.000 PHE 57 1.000 77.918 8.228 47.896 -99.200 -91.000 PHE 64 1.000 72.604 18.764 50.141 -99.200 -91.000 HIS 65 0.900 75.795 22.506 57.240 -99.200 -91.000 PHE 96 1.000 70.799 23.626 47.220 -99.200 -91.000 PHE 98 1.000 68.627 19.336 45.006 -99.200 -91.000 PHE 101 1.000 63.001 12.689 36.182 -99.200 -91.000 PHE 102 1.000 67.330 8.554 42.657 -99.200 -91.000 TRP 111 1.040 64.935 -3.970 42.909 -99.200 -91.000 TRP6 111 1.020 64.760 -3.660 40.553 -99.200 -91.000 TYR 118 0.840 71.696 17.601 40.183 -99.200 -91.000 HIS 119 0.900 65.265 21.875 36.900 -99.200 -91.000 HIS 121 0.900 61.827 21.952 40.772 -99.200 -91.000