============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 12 0.840 12.525 0.031 -16.006 -99.200 -91.000 PHE 33 1.000 13.038 -5.122 -19.126 -99.200 -91.000 PHE 34 1.000 17.458 -12.227 -18.775 -99.200 -91.000 TRP 36 1.040 17.558 -4.417 -14.747 -99.200 -91.000 TRP6 36 1.020 15.803 -3.737 -13.333 -99.200 -91.000 PHE 48 1.000 30.410 4.956 2.978 -99.200 -91.000 PHE 50 1.000 23.775 14.862 2.020 -99.200 -91.000 PHE 53 1.000 28.454 6.010 -2.691 -99.200 -91.000 PHE 59 1.000 18.470 -8.313 -12.319 -99.200 -91.000 TYR 63 0.840 15.247 -11.663 -10.508 -99.200 -91.000 PHE 72 1.000 27.804 -0.067 -4.772 -99.200 -91.000 PHE 77 1.000 38.414 1.665 3.456 -99.200 -91.000 HIS 78 0.900 29.982 -1.211 3.713 -99.200 -91.000 TYR 82 0.840 34.194 -9.962 -1.825 -99.200 -91.000 HIS 93 0.900 26.322 -17.394 -0.951 -99.200 -91.000 TYR 102 0.840 27.430 -13.885 2.684 -99.200 -91.000 TRP 109 1.040 17.317 -14.765 -4.562 -99.200 -91.000 TRP6 109 1.020 16.802 -12.512 -5.040 -99.200 -91.000 TRP 143 1.040 32.363 -0.766 11.354 -99.200 -91.000 TRP6 143 1.020 31.288 1.301 10.988 -99.200 -91.000 PHE 150 1.000 34.230 2.826 7.168 -99.200 -91.000 TYR 151 0.840 32.266 7.291 11.587 -99.200 -91.000