============================================================================= 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. PHE 4 1.000 37.753 2.733 16.904 -99.200 -91.000 TYR 18 0.840 43.500 19.954 15.350 -99.200 -91.000 TYR 24 0.840 33.888 25.836 11.459 -99.200 -91.000 TYR 25 0.840 39.548 28.372 17.985 -99.200 -91.000 HIS 31 0.900 35.433 16.164 20.501 -99.200 -91.000 PHE 67 1.000 39.523 8.014 16.476 -99.200 -91.000 TYR 88 0.840 26.847 1.215 8.989 -99.200 -91.000 PHE 104 1.000 35.726 11.395 13.587 -99.200 -91.000 PHE 114 1.000 27.866 13.966 -0.144 -99.200 -91.000 TRP 126 1.040 30.600 -1.577 -5.799 -99.200 -91.000 TRP6 126 1.020 29.426 -0.920 -3.846 -99.200 -91.000 TRP 138 1.040 34.071 14.874 1.667 -99.200 -91.000 TRP6 138 1.020 33.800 12.807 0.534 -99.200 -91.000 TYR 139 0.840 37.245 15.091 -5.809 -99.200 -91.000 PHE 153 1.000 31.479 5.166 0.655 -99.200 -91.000 TRP 158 1.040 40.568 -1.943 4.996 -99.200 -91.000 TRP6 158 1.020 39.467 -0.046 5.877 -99.200 -91.000 TYR 161 0.840 42.157 5.399 4.227 -99.200 -91.000