============================================================================= 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. PHE 7 1.000 21.970 14.236 20.941 -99.200 -91.000 PHE 28 1.000 24.171 24.676 29.534 -99.200 -91.000 PHE 31 1.000 28.279 15.212 24.887 -99.200 -91.000 TRP 32 1.040 25.326 14.153 32.916 -99.200 -91.000 TRP6 32 1.020 24.999 12.870 34.870 -99.200 -91.000 TRP 35 1.040 33.942 10.713 36.388 -99.200 -91.000 TRP6 35 1.020 32.689 9.387 34.901 -99.200 -91.000 PHE 43 1.000 23.855 17.339 36.077 -99.200 -91.000 TYR 45 0.840 26.125 26.731 40.697 -99.200 -91.000 TYR 50 0.840 14.810 22.982 31.742 -99.200 -91.000 HIS 52 0.900 15.221 33.830 32.967 -99.200 -91.000 PHE 53 1.000 18.176 31.802 30.368 -99.200 -91.000 HIS 73 0.900 16.240 7.131 40.543 -99.200 -91.000 PHE 75 1.000 25.634 13.694 39.721 -99.200 -91.000 TYR 79 0.840 25.197 15.839 43.722 -99.200 -91.000 PHE 83 1.000 19.511 19.329 34.369 -99.200 -91.000 TYR 97 0.840 27.771 16.587 19.749 -99.200 -91.000 PHE 106 1.000 30.355 19.813 22.239 -99.200 -91.000 HIS 128 0.900 20.700 34.923 33.261 -99.200 -91.000 TYR 130 0.840 28.998 30.066 29.055 -99.200 -91.000