============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 19 0.900 27.562 53.884 27.893 -99.200 -91.000 HIS 22 0.900 25.666 53.467 15.040 -99.200 -91.000 PHE 23 1.000 26.150 58.640 13.568 -99.200 -91.000 HIS 43 0.900 47.257 48.383 8.641 -99.200 -91.000 HIS 46 0.900 36.632 46.911 18.657 -99.200 -91.000 TYR 59 0.840 19.082 46.210 8.712 -99.200 -91.000 HIS 60 0.900 26.607 47.821 10.628 -99.200 -91.000 HIS 62 0.900 31.109 48.186 7.707 -99.200 -91.000 HIS 63 0.900 28.201 50.430 -0.140 -99.200 -91.000 TYR 64 0.840 34.847 50.098 -1.300 -99.200 -91.000 TYR 70 0.840 33.536 31.828 18.211 -99.200 -91.000 TYR 84 0.840 18.814 33.657 9.746 -99.200 -91.000 PHE 91 1.000 32.814 33.588 11.668 -99.200 -91.000 PHE 94 1.000 27.158 40.253 8.923 -99.200 -91.000 HIS 97 0.900 29.149 46.441 -2.007 -99.200 -91.000 HIS 101 0.900 25.610 42.940 11.287 -99.200 -91.000 TYR 127 0.840 24.994 53.779 9.479 -99.200 -91.000 HIS 131 0.900 15.817 57.793 2.486 -99.200 -91.000 TYR 135 0.840 28.848 58.654 -0.046 -99.200 -91.000 TRP 141 1.040 34.563 60.016 9.932 -99.200 -91.000 TRP6 141 1.020 33.599 58.199 11.057 -99.200 -91.000