============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 21 1.000 29.641 19.626 18.309 -99.200 -91.000 TRP 22 1.040 27.863 12.608 17.151 -99.200 -91.000 TRP6 22 1.020 28.278 12.964 14.832 -99.200 -91.000 TRP 25 1.040 29.031 17.542 29.189 -99.200 -91.000 TRP6 25 1.020 27.856 18.394 27.325 -99.200 -91.000 HIS 41 0.900 33.882 10.756 69.960 -99.200 -91.000 HIS 48 0.900 29.519 11.017 86.257 -99.200 -91.000 TYR 51 0.840 24.625 14.614 70.645 -99.200 -91.000 HIS 52 0.900 28.575 8.965 67.505 -99.200 -91.000 TRP 66 1.040 30.724 26.568 30.008 -99.200 -91.000 TRP6 66 1.020 29.134 24.931 29.396 -99.200 -91.000 TYR 81 0.840 37.013 25.089 42.743 -99.200 -91.000 TYR 85 0.840 42.343 26.938 41.579 -99.200 -91.000