============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 28 0.840 20.373 102.291 -21.141 -99.200 -91.000 HIS 37 0.900 24.494 102.701 -17.512 -99.200 -91.000 PHE 42 1.000 28.527 101.292 -7.800 -99.200 -91.000 TYR 46 0.840 33.338 102.266 -6.754 -99.200 -91.000 TRP 50 1.040 29.595 95.926 -7.362 -99.200 -91.000 TRP6 50 1.020 28.895 97.057 -5.396 -99.200 -91.000 HIS 51 0.900 24.737 89.784 -8.007 -99.200 -91.000 PHE 58 1.000 12.835 93.356 -7.506 -99.200 -91.000 TYR 61 0.840 20.944 87.205 -7.288 -99.200 -91.000 HIS 64 0.900 25.333 81.628 -2.429 -99.200 -91.000 PHE 69 1.000 22.642 96.733 2.257 -99.200 -91.000 TYR 71 0.840 15.552 100.103 0.013 -99.200 -91.000 PHE 72 1.000 20.515 104.741 -4.891 -99.200 -91.000 TYR 73 0.840 12.686 104.095 -2.414 -99.200 -91.000 PHE 82 1.000 22.011 92.349 -4.292 -99.200 -91.000