============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.035 9.101 40.177 -99.200 -91.000 TYR 17 0.840 -1.120 12.355 42.978 -99.200 -91.000 PHE 18 1.000 -4.798 15.483 41.350 -99.200 -91.000 TRP 23 1.040 1.698 13.293 46.262 -99.200 -91.000 TRP6 23 1.020 1.863 11.040 46.973 -99.200 -91.000 TYR 24 0.840 8.226 16.144 51.112 -99.200 -91.000 TYR 28 0.840 16.466 13.524 39.217 -99.200 -91.000 TYR 40 0.840 16.079 19.754 39.775 -99.200 -91.000 TYR 58 0.840 11.466 24.133 46.542 -99.200 -91.000 HIS 59 0.900 11.047 22.053 39.035 -99.200 -91.000 TYR 60 0.840 17.799 24.828 46.672 -99.200 -91.000 PHE 68 1.000 12.272 26.330 38.487 -99.200 -91.000 TYR 69 0.840 8.232 27.844 46.141 -99.200 -91.000 TYR 82 0.840 -5.228 14.583 36.094 -99.200 -91.000 PHE 86 1.000 5.004 25.999 32.781 -99.200 -91.000 TYR 104 0.840 1.574 21.654 26.598 -99.200 -91.000 TYR 105 0.840 2.784 20.402 35.002 -99.200 -91.000 PHE 107 1.000 1.605 14.977 37.878 -99.200 -91.000 TYR 111 0.840 1.594 2.041 43.121 -99.200 -91.000 HIS 120 0.900 5.558 10.891 30.850 -99.200 -91.000 HIS 124 0.900 5.180 19.706 25.296 -99.200 -91.000 TYR 134 0.840 8.914 7.420 32.745 -99.200 -91.000 PHE 160 1.000 14.253 2.936 42.557 -99.200 -91.000 PHE 163 1.000 13.028 5.881 37.932 -99.200 -91.000 TYR 173 0.840 11.868 18.816 49.991 -99.200 -91.000