============================================================================= 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. TRP 7 1.040 18.873 -19.768 16.012 -99.200 -91.000 TRP6 7 1.020 18.725 -20.748 13.866 -99.200 -91.000 TRP 14 1.040 9.344 -22.705 8.311 -99.200 -91.000 TRP6 14 1.020 10.488 -22.573 6.252 -99.200 -91.000 HIS 24 0.900 4.639 -19.094 1.475 -99.200 -91.000 PHE 33 1.000 12.932 -25.907 -11.207 -99.200 -91.000 HIS 36 0.900 19.572 -18.398 -10.980 -99.200 -91.000 PHE 43 1.000 14.859 -30.586 -9.222 -99.200 -91.000 PHE 46 1.000 9.938 -30.950 -10.995 -99.200 -91.000 HIS 48 0.900 7.494 -32.331 -17.492 -99.200 -91.000 HIS 64 0.900 11.544 -32.019 -5.281 -99.200 -91.000 HIS 81 0.900 22.320 -26.838 18.882 -99.200 -91.000 HIS 82 0.900 22.010 -27.053 10.789 -99.200 -91.000 HIS 93 0.900 19.801 -32.303 -2.346 -99.200 -91.000 HIS 97 0.900 19.288 -35.928 -5.611 -99.200 -91.000 TYR 103 0.840 23.073 -25.285 -10.317 -99.200 -91.000 PHE 106 1.000 22.417 -19.631 -9.171 -99.200 -91.000 HIS 113 0.900 11.324 -12.444 -6.041 -99.200 -91.000 HIS 116 0.900 11.470 -8.595 1.148 -99.200 -91.000 HIS 119 0.900 3.903 -13.763 3.233 -99.200 -91.000 PHE 123 1.000 11.627 -11.639 4.695 -99.200 -91.000 PHE 138 1.000 19.998 -25.662 3.704 -99.200 -91.000 TYR 146 0.840 27.545 -29.910 -1.879 -99.200 -91.000 PHE 151 1.000 29.028 -32.055 -6.078 -99.200 -91.000