============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 18 1.000 14.773 -20.034 43.246 -99.200 -91.000 TYR 23 0.840 4.382 -14.295 31.228 -99.200 -91.000 HIS 58 0.900 19.521 -3.760 28.930 -99.200 -91.000 HIS 76 0.900 -8.474 -10.798 51.131 -99.200 -91.000 HIS 78 0.900 -1.375 -16.014 54.271 -99.200 -91.000 TYR 93 0.840 17.660 -2.352 38.223 -99.200 -91.000 TRP 102 1.040 4.872 -2.913 55.292 -99.200 -91.000 TRP6 102 1.020 3.068 -1.690 54.405 -99.200 -91.000 PHE 109 1.000 4.168 -15.250 54.587 -99.200 -91.000 PHE 122 1.000 8.413 -7.917 31.663 -99.200 -91.000 PHE 130 1.000 5.964 17.263 31.561 -99.200 -91.000 PHE 136 1.000 -3.753 22.599 31.724 -99.200 -91.000