============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 17 0.840 -7.413 8.154 50.027 -99.200 -91.000 TRP 18 1.040 -5.458 7.663 54.450 -99.200 -91.000 TRP6 18 1.020 -4.922 5.607 55.472 -99.200 -91.000 HIS 20 0.900 -4.195 5.501 46.601 -99.200 -91.000 PHE 26 1.000 -0.250 3.079 34.452 -99.200 -91.000 HIS 53 0.900 0.093 9.346 60.691 -99.200 -91.000 HIS 56 0.900 -8.116 12.465 56.469 -99.200 -91.000 TYR 61 0.840 -5.512 2.490 59.981 -99.200 -91.000 TYR 65 0.840 0.333 0.011 48.498 -99.200 -91.000 HIS 66 0.900 -3.443 -7.992 47.115 -99.200 -91.000 TYR 89 0.840 18.512 -5.035 50.459 -99.200 -91.000 PHE 91 1.000 10.670 -9.953 45.217 -99.200 -91.000 PHE 92 1.000 6.795 -11.483 49.440 -99.200 -91.000 HIS 94 0.900 12.063 -3.629 44.911 -99.200 -91.000 TRP 99 1.040 4.707 -6.768 44.308 -99.200 -91.000 TRP6 99 1.020 5.641 -8.774 45.093 -99.200 -91.000 PHE 108 1.000 2.783 -3.502 35.365 -99.200 -91.000 HIS 109 0.900 -6.275 -2.328 33.395 -99.200 -91.000