============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 22 0.840 35.277 73.196 50.651 -99.200 -91.000 PHE 35 1.000 26.599 56.740 60.447 -99.200 -91.000 TYR 68 0.840 26.776 52.441 60.792 -99.200 -91.000 TRP 94 1.040 47.643 63.742 70.041 -99.200 -91.000 TRP6 94 1.020 49.000 63.288 68.162 -99.200 -91.000 PHE 102 1.000 39.570 57.148 75.818 -99.200 -91.000 TYR 117 0.840 22.297 48.614 56.967 -99.200 -91.000 PHE 122 1.000 40.208 50.866 48.686 -99.200 -91.000 PHE 137 1.000 35.999 48.339 58.516 -99.200 -91.000 HIS 138 0.900 40.970 41.927 57.270 -99.200 -91.000 PHE 160 1.000 61.426 61.843 54.208 -99.200 -91.000 PHE 163 1.000 58.290 68.895 57.169 -99.200 -91.000 HIS 183 0.900 50.099 58.628 61.327 -99.200 -91.000 HIS 186 0.900 59.686 53.459 67.973 -99.200 -91.000 TYR 193 0.840 64.513 52.480 48.889 -99.200 -91.000 PHE 199 1.000 67.095 63.152 37.714 -99.200 -91.000 PHE 204 1.000 69.174 66.939 43.404 -99.200 -91.000 TYR 238 0.840 40.913 71.038 60.014 -99.200 -91.000 TYR 239 0.840 42.102 73.003 56.204 -99.200 -91.000 PHE 252 1.000 37.608 50.946 44.851 -99.200 -91.000 TYR 265 0.840 46.006 39.989 56.017 -99.200 -91.000 TYR 270 0.840 58.338 45.480 53.284 -99.200 -91.000 HIS 273 0.900 53.711 35.538 57.624 -99.200 -91.000 PHE 276 1.000 44.887 45.225 57.499 -99.200 -91.000 HIS 298 0.900 71.367 44.349 60.485 -99.200 -91.000 PHE 304 1.000 58.837 47.387 58.188 -99.200 -91.000