============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 7 1.040 33.632 15.371 -9.377 -99.200 -91.000 TRP6 7 1.020 33.639 14.260 -7.288 -99.200 -91.000 HIS 12 0.900 38.587 27.177 -3.455 -99.200 -91.000 TRP 14 1.040 39.657 17.145 1.396 -99.200 -91.000 TRP6 14 1.020 38.052 16.419 2.979 -99.200 -91.000 HIS 24 0.900 39.656 21.579 9.060 -99.200 -91.000 TRP 29 1.040 37.099 11.844 15.402 -99.200 -91.000 TRP6 29 1.020 35.849 10.344 14.065 -99.200 -91.000 PHE 33 1.000 32.382 10.010 18.670 -99.200 -91.000 HIS 36 0.900 22.833 11.977 15.060 -99.200 -91.000 PHE 43 1.000 34.276 4.997 16.287 -99.200 -91.000 PHE 46 1.000 38.933 6.350 19.688 -99.200 -91.000 HIS 48 0.900 38.017 5.554 27.173 -99.200 -91.000 HIS 64 0.900 39.814 6.010 13.660 -99.200 -91.000 HIS 81 0.900 36.738 8.145 -13.064 -99.200 -91.000 HIS 82 0.900 33.795 6.562 -5.453 -99.200 -91.000 HIS 93 0.900 34.434 1.442 7.985 -99.200 -91.000 HIS 97 0.900 35.660 -1.439 11.718 -99.200 -91.000 TYR 103 0.840 25.101 4.240 13.905 -99.200 -91.000 PHE 106 1.000 22.490 9.376 12.533 -99.200 -91.000 HIS 113 0.900 27.463 22.304 12.883 -99.200 -91.000 HIS 116 0.900 26.937 27.042 7.571 -99.200 -91.000 HIS 119 0.900 37.492 25.904 6.132 -99.200 -91.000 PHE 123 1.000 30.337 23.497 2.967 -99.200 -91.000 PHE 138 1.000 31.887 7.194 1.565 -99.200 -91.000 TYR 146 0.840 27.943 -1.206 4.377 -99.200 -91.000 TYR 151 0.840 25.940 -4.368 7.724 -99.200 -91.000