============================================================================= 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. HIS 27 0.900 68.258 52.878 33.477 -99.200 -91.000 TYR 33 0.840 59.817 58.417 38.200 -99.200 -91.000 TRP 36 1.040 52.117 52.141 28.614 -99.200 -91.000 TRP6 36 1.020 52.179 52.263 26.250 -99.200 -91.000 TYR 37 0.840 49.120 59.412 31.327 -99.200 -91.000 TYR 50 0.840 51.556 53.968 39.696 -99.200 -91.000 PHE 56 1.000 45.277 56.405 39.273 -99.200 -91.000 PHE 63 1.000 43.529 48.224 30.134 -99.200 -91.000 PHE 72 1.000 57.209 53.427 27.621 -99.200 -91.000 TYR 87 0.840 44.516 52.186 24.786 -99.200 -91.000 TYR 88 0.840 47.412 60.213 23.175 -99.200 -91.000 PHE 90 1.000 55.288 62.184 30.566 -99.200 -91.000 HIS 94 0.900 67.053 60.980 27.990 -99.200 -91.000 PHE 97 1.000 61.120 64.890 32.100 -99.200 -91.000 PHE 99 1.000 51.881 63.070 27.423 -99.200 -91.000 PHE 117 1.000 17.627 58.423 8.642 -99.200 -91.000 PHE 119 1.000 17.915 65.388 8.409 -99.200 -91.000 PHE 140 1.000 28.972 54.769 8.178 -99.200 -91.000 TYR 141 0.840 33.445 48.204 11.692 -99.200 -91.000 TRP 149 1.040 26.296 66.082 -1.363 -99.200 -91.000 TRP6 149 1.020 24.116 66.235 -0.477 -99.200 -91.000 TYR 174 0.840 33.845 53.994 12.627 -99.200 -91.000 TYR 187 0.840 17.679 74.911 -2.341 -99.200 -91.000 HIS 190 0.900 21.121 73.873 -10.377 -99.200 -91.000 TYR 193 0.840 19.109 70.916 -4.969 -99.200 -91.000 HIS 199 0.900 29.325 50.726 4.741 -99.200 -91.000 PHE 210 1.000 15.961 68.233 -1.282 -99.200 -91.000