============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 11 1.000 1.246 -4.412 21.628 -99.200 -91.000 PHE 27 1.000 5.901 -1.914 25.418 -99.200 -91.000 TRP 31 1.040 16.858 -5.375 32.788 -99.200 -91.000 TRP6 31 1.020 16.991 -3.036 32.459 -99.200 -91.000 PHE 41 1.000 -0.324 5.109 40.457 -99.200 -91.000 PHE 42 1.000 0.060 -0.507 33.947 -99.200 -91.000 HIS 43 0.900 -0.682 -5.083 38.639 -99.200 -91.000 TYR 49 0.840 -8.353 6.246 35.932 -99.200 -91.000 PHE 54 1.000 -5.043 0.853 33.184 -99.200 -91.000 PHE 76 1.000 4.313 3.170 32.788 -99.200 -91.000 PHE 78 1.000 -0.066 6.412 28.165 -99.200 -91.000 PHE 79 1.000 0.009 1.322 21.579 -99.200 -91.000 PHE 88 1.000 4.778 8.291 31.242 -99.200 -91.000