============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 29 1.040 -17.765 72.776 26.563 -99.200 -91.000 TRP6 29 1.020 -18.729 72.394 24.439 -99.200 -91.000 TYR 32 0.840 -16.360 75.758 21.032 -99.200 -91.000 TYR 33 0.840 -22.386 80.740 21.814 -99.200 -91.000 TYR 35 0.840 -11.302 83.783 22.044 -99.200 -91.000 TRP 36 1.040 -18.940 79.443 16.629 -99.200 -91.000 TRP6 36 1.020 -21.240 79.887 16.536 -99.200 -91.000 PHE 54 1.000 -12.252 88.087 18.681 -99.200 -91.000 HIS 57 0.900 -6.872 83.267 20.163 -99.200 -91.000 HIS 63 0.900 -8.824 71.041 18.962 -99.200 -91.000 HIS 64 0.900 -7.122 75.430 25.584 -99.200 -91.000 TRP 86 1.040 -21.269 74.499 30.344 -99.200 -91.000 TRP6 86 1.020 -21.859 75.201 28.172 -99.200 -91.000 PHE 87 1.000 -24.633 79.784 31.649 -99.200 -91.000 TYR 94 0.840 -20.994 84.316 26.954 -99.200 -91.000 PHE 100 1.000 -22.734 93.123 17.802 -99.200 -91.000 TYR 120 0.840 -6.758 75.962 32.260 -99.200 -91.000 PHE 126 1.000 -5.349 70.599 44.528 -99.200 -91.000 TYR 132 0.840 5.364 63.372 38.486 -99.200 -91.000 HIS 140 0.900 -1.306 71.522 25.183 -99.200 -91.000 HIS 148 0.900 -5.933 81.074 23.172 -99.200 -91.000 TYR 155 0.840 -4.999 90.927 16.150 -99.200 -91.000 PHE 166 1.000 -4.281 106.142 10.102 -99.200 -91.000