============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 6 1.000 21.184 45.011 60.243 -99.200 -91.000 TYR 11 0.840 17.899 47.635 57.010 -99.200 -91.000 TYR 15 0.840 15.116 43.409 54.771 -99.200 -91.000 HIS 30 0.900 7.333 26.715 41.702 -99.200 -91.000 TYR 33 0.840 15.179 27.544 36.900 -99.200 -91.000 HIS 43 0.900 17.109 19.032 30.114 -99.200 -91.000 HIS 55 0.900 17.141 29.462 46.467 -99.200 -91.000 PHE 59 1.000 16.629 35.232 50.137 -99.200 -91.000 PHE 73 1.000 8.788 48.949 44.320 -99.200 -91.000 PHE 77 1.000 12.767 45.277 40.459 -99.200 -91.000 PHE 78 1.000 11.375 40.149 39.845 -99.200 -91.000 PHE 85 1.000 10.297 32.264 31.369 -99.200 -91.000 PHE 108 1.000 18.884 42.436 39.401 -99.200 -91.000 TYR 113 0.840 19.776 36.629 46.727 -99.200 -91.000 HIS 114 0.900 30.263 38.672 46.630 -99.200 -91.000 TYR 116 0.840 20.840 41.266 52.735 -99.200 -91.000 PHE 123 1.000 16.090 34.558 60.543 -99.200 -91.000 TYR 136 0.840 28.461 31.148 41.722 -99.200 -91.000 HIS 138 0.900 18.912 27.204 40.874 -99.200 -91.000 TYR 141 0.840 18.832 23.086 33.548 -99.200 -91.000 TRP 145 1.040 19.028 22.756 26.669 -99.200 -91.000 TRP6 145 1.020 18.515 24.366 25.011 -99.200 -91.000 PHE 191 1.000 23.780 41.379 35.138 -99.200 -91.000 TYR 195 0.840 24.552 38.126 30.416 -99.200 -91.000 PHE 204 1.000 27.197 33.748 22.826 -99.200 -91.000