============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 3 0.840 22.523 41.724 83.967 -99.200 -91.000 TYR 8 0.840 32.940 49.014 76.211 -99.200 -91.000 TYR 9 0.840 36.232 56.362 77.701 -99.200 -91.000 HIS 12 0.900 41.718 56.853 69.617 -99.200 -91.000 PHE 30 1.000 25.772 33.084 85.076 -99.200 -91.000 TYR 45 0.840 26.167 56.449 76.289 -99.200 -91.000 PHE 65 1.000 48.674 60.637 81.637 -99.200 -91.000 TYR 73 0.840 30.192 62.054 86.059 -99.200 -91.000 PHE 74 1.000 28.101 53.481 85.767 -99.200 -91.000 TRP 82 1.040 30.737 52.012 100.108 -99.200 -91.000 TRP6 82 1.020 30.757 53.989 101.413 -99.200 -91.000 PHE 95 1.000 37.202 44.788 79.850 -99.200 -91.000 HIS 102 0.900 58.745 52.420 76.595 -99.200 -91.000 HIS 117 0.900 37.595 51.377 98.787 -99.200 -91.000 HIS 118 0.900 30.351 49.818 95.039 -99.200 -91.000 TYR 126 0.840 51.654 29.077 85.306 -99.200 -91.000 TYR 129 0.840 48.249 41.718 89.709 -99.200 -91.000 HIS 133 0.900 44.776 44.898 72.445 -99.200 -91.000 PHE 134 1.000 51.707 47.659 71.986 -99.200 -91.000 HIS 146 0.900 48.765 34.673 76.429 -99.200 -91.000