============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 2 1.000 29.580 90.171 20.782 -99.200 -91.000 PHE 16 1.000 22.063 105.319 18.929 -99.200 -91.000 HIS 17 0.900 25.184 100.192 20.723 -99.200 -91.000 TYR 38 0.840 7.454 101.614 19.317 -99.200 -91.000 TYR 50 0.840 16.631 110.240 21.971 -99.200 -91.000 HIS 53 0.900 9.816 116.419 23.561 -99.200 -91.000 HIS 54 0.900 11.717 110.834 26.494 -99.200 -91.000 TYR 59 0.840 19.441 104.555 32.964 -99.200 -91.000 HIS 70 0.900 25.628 94.889 17.635 -99.200 -91.000 HIS 86 0.900 25.436 92.679 33.753 -99.200 -91.000 TYR 91 0.840 19.733 108.636 36.482 -99.200 -91.000 TRP 112 1.040 24.270 101.272 5.849 -99.200 -91.000 TRP6 112 1.020 22.411 99.859 5.409 -99.200 -91.000 HIS 116 0.900 11.129 100.863 15.980 -99.200 -91.000 HIS 118 0.900 10.660 97.474 21.468 -99.200 -91.000 TRP 119 1.040 17.449 101.757 23.389 -99.200 -91.000 TRP6 119 1.020 17.487 104.115 23.255 -99.200 -91.000