============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 23 1.000 1.477 16.576 37.177 -99.200 -91.000 TYR 26 0.840 4.331 24.837 29.575 -99.200 -91.000 PHE 45 1.000 0.589 35.502 24.191 -99.200 -91.000 PHE 46 1.000 -3.218 29.666 21.453 -99.200 -91.000 PHE 51 1.000 1.614 25.206 13.928 -99.200 -91.000 HIS 66 0.900 7.477 33.329 10.872 -99.200 -91.000 TYR 78 0.840 2.163 9.802 8.511 -99.200 -91.000 PHE 86 1.000 7.583 24.840 3.267 -99.200 -91.000 TYR 95 0.840 10.452 17.835 11.591 -99.200 -91.000 HIS 120 0.900 16.472 42.301 28.391 -99.200 -91.000 HIS 121 0.900 19.429 41.761 21.877 -99.200 -91.000 HIS 122 0.900 12.313 41.286 18.883 -99.200 -91.000 HIS 123 0.900 11.353 47.104 26.746 -99.200 -91.000 HIS 124 0.900 15.029 47.214 28.104 -99.200 -91.000