============================================================================= 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. TYR 4 0.840 102.641 22.994 41.523 -99.200 -91.000 PHE 20 1.000 93.858 29.130 13.855 -99.200 -91.000 TRP 39 1.040 115.270 31.920 27.706 -99.200 -91.000 TRP6 39 1.020 117.395 32.040 28.748 -99.200 -91.000 HIS 43 0.900 127.817 24.771 18.215 -99.200 -91.000 HIS 45 0.900 123.478 33.422 23.069 -99.200 -91.000 TRP 49 1.040 115.818 33.100 17.730 -99.200 -91.000 TRP6 49 1.020 116.862 31.195 18.681 -99.200 -91.000 TYR 54 0.840 103.195 39.690 7.676 -99.200 -91.000 PHE 70 1.000 99.260 31.309 -4.566 -99.200 -91.000 PHE 86 1.000 97.586 32.953 4.606 -99.200 -91.000 TYR 96 0.840 113.242 36.876 8.490 -99.200 -91.000 TYR 109 0.840 115.439 24.312 8.368 -99.200 -91.000 PHE 115 1.000 111.889 31.527 18.032 -99.200 -91.000 PHE 118 1.000 104.454 31.082 19.185 -99.200 -91.000 TRP 123 1.040 98.148 22.441 23.918 -99.200 -91.000 TRP6 123 1.020 96.732 22.265 22.030 -99.200 -91.000 TRP 131 1.040 106.707 24.762 11.099 -99.200 -91.000 TRP6 131 1.020 108.194 24.003 12.778 -99.200 -91.000 TYR 138 0.840 111.315 25.771 0.638 -99.200 -91.000 PHE 142 1.000 105.296 34.401 1.172 -99.200 -91.000 HIS 159 0.900 99.005 30.543 8.540 -99.200 -91.000 TYR 162 0.840 93.184 32.892 22.716 -99.200 -91.000 PHE 163 1.000 92.496 24.904 20.478 -99.200 -91.000