============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 37.687 2.792 16.989 -99.200 -91.000 TYR 18 0.840 43.503 19.889 15.402 -99.200 -91.000 TYR 24 0.840 33.843 25.656 11.439 -99.200 -91.000 TYR 25 0.840 39.468 28.303 18.009 -99.200 -91.000 HIS 31 0.900 35.444 16.061 20.558 -99.200 -91.000 PHE 67 1.000 39.539 7.940 16.489 -99.200 -91.000 TYR 88 0.840 26.727 1.226 8.885 -99.200 -91.000 PHE 104 1.000 35.649 11.334 13.627 -99.200 -91.000 PHE 114 1.000 27.759 13.917 0.380 -99.200 -91.000 TRP 126 1.040 30.499 -1.468 -5.795 -99.200 -91.000 TRP6 126 1.020 29.326 -0.845 -3.838 -99.200 -91.000 TRP 138 1.040 34.021 14.818 1.715 -99.200 -91.000 TRP6 138 1.020 33.760 12.772 0.562 -99.200 -91.000 TYR 139 0.840 37.176 15.089 -5.731 -99.200 -91.000 PHE 153 1.000 31.428 5.134 0.663 -99.200 -91.000 TRP 158 1.040 40.534 -1.967 4.970 -99.200 -91.000 TRP6 158 1.020 39.456 -0.078 5.881 -99.200 -91.000 TYR 161 0.840 42.135 5.330 4.255 -99.200 -91.000