============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 15 1.000 15.455 31.949 61.637 -99.200 -91.000 TYR 33 0.840 17.761 17.326 72.175 -99.200 -91.000 TYR 40 0.840 28.305 12.616 76.036 -99.200 -91.000 PHE 46 1.000 32.073 14.432 67.299 -99.200 -91.000 HIS 50 0.900 24.027 13.303 61.813 -99.200 -91.000 PHE 60 1.000 15.693 23.289 60.865 -99.200 -91.000 PHE 71 1.000 32.324 19.521 63.554 -99.200 -91.000 PHE 85 1.000 16.322 15.715 54.459 -99.200 -91.000 TRP 87 1.040 19.109 23.352 46.599 -99.200 -91.000 TRP6 87 1.020 18.190 25.475 47.082 -99.200 -91.000 HIS 91 0.900 13.972 26.560 47.842 -99.200 -91.000 PHE 95 1.000 25.583 29.789 53.864 -99.200 -91.000 PHE 114 1.000 41.600 24.031 57.841 -99.200 -91.000 TYR 127 0.840 30.396 15.651 51.243 -99.200 -91.000 HIS 128 0.900 26.251 18.287 45.054 -99.200 -91.000 PHE 130 1.000 25.486 30.228 48.301 -99.200 -91.000 PHE 153 1.000 36.523 41.815 54.153 -99.200 -91.000 TRP 155 1.040 41.606 32.631 57.227 -99.200 -91.000 TRP6 155 1.020 40.889 30.627 58.256 -99.200 -91.000 HIS 162 0.900 39.148 26.590 47.012 -99.200 -91.000 HIS 175 0.900 31.163 41.811 81.037 -99.200 -91.000 PHE 211 1.000 28.306 51.893 64.497 -99.200 -91.000 TYR 212 0.840 27.547 46.437 62.801 -99.200 -91.000 HIS 218 0.900 30.690 48.281 50.168 -99.200 -91.000 TYR 229 0.840 22.669 40.509 73.836 -99.200 -91.000 HIS 242 0.900 15.161 48.125 57.181 -99.200 -91.000 PHE 248 1.000 19.282 34.667 67.006 -99.200 -91.000 PHE 265 1.000 12.493 18.798 68.130 -99.200 -91.000 TYR 276 0.840 9.592 34.918 58.509 -99.200 -91.000