============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 9 1.000 0.712 28.749 23.691 -99.200 -91.000 TYR 13 0.840 3.497 13.935 25.756 -99.200 -91.000 TRP 16 1.040 -1.788 18.249 29.611 -99.200 -91.000 TRP6 16 1.020 -3.593 19.758 29.884 -99.200 -91.000 PHE 18 1.000 -0.892 15.026 31.717 -99.200 -91.000 TRP 19 1.040 -0.364 11.658 24.008 -99.200 -91.000 TRP6 19 1.020 0.597 9.520 23.672 -99.200 -91.000 HIS 23 0.900 0.659 9.275 28.893 -99.200 -91.000 PHE 28 1.000 -7.861 14.830 35.105 -99.200 -91.000 HIS 29 0.900 -8.735 14.626 43.716 -99.200 -91.000 TYR 47 0.840 5.745 20.018 29.228 -99.200 -91.000 PHE 83 1.000 -2.496 21.750 36.552 -99.200 -91.000 TYR 88 0.840 -2.081 32.861 32.343 -99.200 -91.000 PHE 89 1.000 -5.222 28.916 27.207 -99.200 -91.000 TYR 95 0.840 -13.674 21.458 18.103 -99.200 -91.000 HIS 102 0.900 -9.784 21.523 16.428 -99.200 -91.000 PHE 103 1.000 -4.775 27.028 14.354 -99.200 -91.000 HIS 107 0.900 -9.982 34.257 9.586 -99.200 -91.000 HIS 108 0.900 -17.219 33.221 12.123 -99.200 -91.000 PHE 114 1.000 -6.961 30.707 8.592 -99.200 -91.000 PHE 119 1.000 -1.192 24.600 16.348 -99.200 -91.000 PHE 120 1.000 4.752 28.399 20.357 -99.200 -91.000 HIS 139 0.900 7.121 18.431 15.880 -99.200 -91.000 PHE 156 1.000 3.935 35.787 13.473 -99.200 -91.000