============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 24 0.840 1.341 4.721 14.830 -99.200 -91.000 TYR 27 0.840 9.425 2.520 16.903 -99.200 -91.000 TYR 28 0.840 9.055 13.666 15.803 -99.200 -91.000 PHE 37 1.000 18.864 13.758 24.262 -99.200 -91.000 HIS 56 0.900 23.959 4.402 26.119 -99.200 -91.000 TYR 69 0.840 7.723 16.954 29.037 -99.200 -91.000 HIS 72 0.900 8.025 13.222 32.332 -99.200 -91.000 TYR 77 0.840 4.788 4.378 25.186 -99.200 -91.000 HIS 83 0.900 9.548 -1.927 14.380 -99.200 -91.000 PHE 91 1.000 14.944 5.962 15.122 -99.200 -91.000 HIS 92 0.900 14.466 5.852 8.931 -99.200 -91.000 HIS 98 0.900 11.813 22.908 8.535 -99.200 -91.000 TRP 100 1.040 12.944 21.475 19.819 -99.200 -91.000 TRP6 100 1.020 12.184 19.385 20.602 -99.200 -91.000