============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 22 1.000 86.824 107.427 21.689 -99.200 -91.000 HIS 38 0.900 83.880 113.048 9.891 -99.200 -91.000 TRP 39 1.040 92.687 114.184 15.270 -99.200 -91.000 TRP6 39 1.020 92.052 114.606 17.487 -99.200 -91.000 TYR 42 0.840 90.295 125.796 16.153 -99.200 -91.000 PHE 52 1.000 83.976 107.616 17.715 -99.200 -91.000 TRP 57 1.040 69.728 99.758 19.048 -99.200 -91.000 TRP6 57 1.020 69.762 102.061 19.586 -99.200 -91.000 HIS 58 0.900 74.547 93.218 18.352 -99.200 -91.000 PHE 64 1.000 69.366 94.087 5.902 -99.200 -91.000 TYR 74 0.840 83.737 111.166 23.567 -99.200 -91.000 TRP 85 1.040 73.914 108.985 20.884 -99.200 -91.000 TRP6 85 1.020 71.608 109.073 20.396 -99.200 -91.000 TRP 86 1.040 74.416 114.525 15.805 -99.200 -91.000 TRP6 86 1.020 76.689 114.777 16.413 -99.200 -91.000 TYR 88 0.840 67.730 108.136 12.674 -99.200 -91.000 PHE 111 1.000 93.540 109.175 14.630 -99.200 -91.000 TYR 112 0.840 100.337 100.389 15.475 -99.200 -91.000 TRP 117 1.040 100.907 104.074 18.516 -99.200 -91.000 TRP6 117 1.020 98.615 103.747 18.954 -99.200 -91.000 TRP 121 1.040 92.451 106.517 9.588 -99.200 -91.000 TRP6 121 1.020 94.401 105.231 9.827 -99.200 -91.000 TYR 140 0.840 93.198 112.674 39.620 -99.200 -91.000 TYR 147 0.840 89.223 103.402 24.120 -99.200 -91.000