============================================================================= 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 4 1.000 24.442 56.468 10.920 -99.200 -91.000 PHE 19 1.000 36.524 67.614 5.311 -99.200 -91.000 PHE 55 1.000 23.709 75.468 13.676 -99.200 -91.000 TYR 58 0.840 11.876 66.569 12.114 -99.200 -91.000 PHE 77 1.000 11.918 81.006 -4.156 -99.200 -91.000 HIS 90 0.900 25.300 83.034 4.116 -99.200 -91.000 TYR 94 0.840 29.738 82.786 5.991 -99.200 -91.000 PHE 100 1.000 35.246 72.450 3.352 -99.200 -91.000 HIS 123 0.900 15.445 71.022 -3.682 -99.200 -91.000 HIS 135 0.900 20.205 72.358 -5.239 -99.200 -91.000 HIS 136 0.900 24.663 67.064 -6.674 -99.200 -91.000 TYR 140 0.840 17.865 60.387 -1.936 -99.200 -91.000