============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 7 1.040 16.234 6.229 35.629 -99.200 -91.000 TRP6 7 1.020 15.863 4.849 33.745 -99.200 -91.000 HIS 12 0.900 4.738 14.069 33.614 -99.200 -91.000 TRP 14 1.040 5.560 3.932 28.403 -99.200 -91.000 TRP6 14 1.020 6.707 3.997 26.340 -99.200 -91.000 HIS 24 0.900 0.045 7.676 22.924 -99.200 -91.000 PHE 33 1.000 4.934 -2.287 11.065 -99.200 -91.000 HIS 36 0.900 13.668 2.615 9.413 -99.200 -91.000 PHE 43 1.000 5.141 -7.523 13.942 -99.200 -91.000 PHE 46 1.000 0.750 -6.835 11.020 -99.200 -91.000 HIS 48 0.900 -3.183 -8.880 4.976 -99.200 -91.000 HIS 64 0.900 1.269 -8.276 16.516 -99.200 -91.000 HIS 81 0.900 18.126 -1.076 39.536 -99.200 -91.000 HIS 82 0.900 16.679 -2.671 31.802 -99.200 -91.000 HIS 93 0.900 11.190 -9.785 20.982 -99.200 -91.000 HIS 97 0.900 9.055 -13.935 17.272 -99.200 -91.000 TYR 103 0.840 14.472 -5.355 11.511 -99.200 -91.000 PHE 106 1.000 16.034 0.458 11.024 -99.200 -91.000 HIS 113 0.900 8.144 11.382 13.484 -99.200 -91.000 HIS 116 0.900 9.232 16.856 18.141 -99.200 -91.000 HIS 119 0.900 1.816 12.494 24.593 -99.200 -91.000 PHE 123 1.000 9.993 12.901 23.645 -99.200 -91.000 PHE 138 1.000 14.601 -2.452 25.045 -99.200 -91.000 TYR 146 0.840 19.208 -9.900 20.054 -99.200 -91.000 TYR 151 0.840 20.328 -12.752 16.696 -99.200 -91.000