============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 1 1.000 72.230 29.106 60.545 -99.200 -91.000 PHE 4 1.000 68.197 20.463 60.623 -99.200 -91.000 TYR 11 0.840 62.658 23.508 49.219 -99.200 -91.000 TRP 29 1.040 60.068 18.847 57.777 -99.200 -91.000 TRP6 29 1.020 62.341 19.451 57.568 -99.200 -91.000 HIS 47 0.900 73.142 9.945 60.832 -99.200 -91.000 PHE 48 1.000 65.340 12.552 62.219 -99.200 -91.000 HIS 60 0.900 67.955 5.392 67.940 -99.200 -91.000 PHE 61 1.000 68.577 13.242 66.993 -99.200 -91.000 PHE 75 1.000 51.471 9.678 61.560 -99.200 -91.000 TYR 77 0.840 57.605 -0.893 59.246 -99.200 -91.000 TYR 81 0.840 55.825 3.923 55.335 -99.200 -91.000 PHE 86 1.000 71.619 10.098 56.220 -99.200 -91.000 PHE 88 1.000 73.101 19.136 53.987 -99.200 -91.000 HIS 92 0.900 71.413 28.310 51.129 -99.200 -91.000