============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 35.648 91.316 16.094 -99.200 -91.000 TRP 12 1.040 37.863 83.848 5.899 -99.200 -91.000 TRP6 12 1.020 37.054 82.136 4.492 -99.200 -91.000 HIS 22 0.900 33.257 85.858 -2.279 -99.200 -91.000 HIS 26 0.900 35.960 90.629 -6.849 -99.200 -91.000 TRP 28 1.040 33.137 93.748 4.822 -99.200 -91.000 TRP6 28 1.020 33.940 95.463 6.238 -99.200 -91.000 HIS 43 0.900 45.394 96.802 10.858 -99.200 -91.000 TYR 54 0.840 24.736 85.988 22.474 -99.200 -91.000 HIS 57 0.900 32.348 75.947 23.187 -99.200 -91.000 HIS 76 0.900 45.228 94.074 14.261 -99.200 -91.000 HIS 93 0.900 24.703 81.049 19.306 -99.200 -91.000 PHE 113 1.000 41.147 96.407 24.971 -99.200 -91.000 TYR 115 0.840 41.032 101.221 23.016 -99.200 -91.000 TYR 155 0.840 22.932 95.191 14.708 -99.200 -91.000 HIS 164 0.900 29.699 104.434 20.034 -99.200 -91.000 HIS 165 0.900 29.985 107.966 13.529 -99.200 -91.000 PHE 166 1.000 22.369 101.174 10.969 -99.200 -91.000 PHE 167 1.000 27.093 101.397 4.941 -99.200 -91.000 HIS 182 0.900 27.597 82.053 4.254 -99.200 -91.000