============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 7 0.840 15.246 23.697 25.359 -99.200 -91.000 HIS 48 0.900 8.381 5.788 32.646 -99.200 -91.000 TYR 59 0.840 -3.594 19.738 43.923 -99.200 -91.000 HIS 68 0.900 10.657 4.971 36.896 -99.200 -91.000 HIS 74 0.900 14.370 3.021 34.842 -99.200 -91.000 TYR 75 0.840 18.012 8.759 39.964 -99.200 -91.000 TRP 78 1.040 12.638 17.197 37.581 -99.200 -91.000 TRP6 78 1.020 14.608 16.926 36.302 -99.200 -91.000 TYR 88 0.840 5.560 25.695 45.411 -99.200 -91.000 PHE 91 1.000 16.099 19.117 41.794 -99.200 -91.000 PHE 102 1.000 5.219 19.006 44.565 -99.200 -91.000 TYR 114 0.840 14.649 13.986 32.441 -99.200 -91.000 HIS 118 0.900 12.179 4.403 30.629 -99.200 -91.000 HIS 120 0.900 9.649 17.472 31.251 -99.200 -91.000 TRP 121 1.040 7.355 10.205 30.562 -99.200 -91.000 TRP6 121 1.020 5.835 9.164 29.078 -99.200 -91.000