============================================================================= 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. TRP 8 1.040 15.935 5.764 15.278 -99.200 -91.000 TRP6 8 1.020 14.781 5.093 13.324 -99.200 -91.000 TYR 9 0.840 23.383 1.293 16.947 -99.200 -91.000 PHE 16 1.000 18.149 10.446 15.826 -99.200 -91.000 TYR 30 0.840 24.100 11.842 15.730 -99.200 -91.000 TYR 41 0.840 29.101 15.888 21.285 -99.200 -91.000 TYR 47 0.840 7.056 13.754 15.897 -99.200 -91.000 TRP 62 1.040 18.853 14.912 14.618 -99.200 -91.000 TRP6 62 1.020 17.954 13.392 13.047 -99.200 -91.000 TRP 66 1.040 28.542 18.462 16.039 -99.200 -91.000 TRP6 66 1.020 28.024 16.212 16.482 -99.200 -91.000 TYR 70 0.840 32.283 14.232 29.670 -99.200 -91.000 HIS 74 0.900 34.752 26.362 19.892 -99.200 -91.000 TRP 79 1.040 21.913 14.301 10.843 -99.200 -91.000 TRP6 79 1.020 22.977 15.122 12.768 -99.200 -91.000 TYR 83 0.840 9.190 6.495 11.227 -99.200 -91.000 TRP 95 1.040 25.073 14.795 7.189 -99.200 -91.000 TRP6 95 1.020 27.162 15.883 6.865 -99.200 -91.000 TRP 107 1.040 36.042 30.767 1.564 -99.200 -91.000 TRP6 107 1.020 36.654 28.744 0.511 -99.200 -91.000 HIS 114 0.900 24.637 10.816 1.032 -99.200 -91.000 PHE 117 1.000 20.741 8.906 11.414 -99.200 -91.000