============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 3 1.000 44.149 -2.200 11.756 -99.200 -91.000 HIS 11 0.900 32.641 5.224 20.117 -99.200 -91.000 TRP 23 1.040 31.328 -4.870 10.879 -99.200 -91.000 TRP6 23 1.020 33.476 -4.263 10.099 -99.200 -91.000 HIS 29 0.900 40.082 -13.419 10.707 -99.200 -91.000 PHE 36 1.000 41.215 -5.746 10.864 -99.200 -91.000 PHE 44 1.000 32.871 -5.930 5.354 -99.200 -91.000 TYR 54 0.840 30.733 3.660 -4.254 -99.200 -91.000 PHE 62 1.000 22.039 -12.906 8.801 -99.200 -91.000 HIS 63 0.900 25.468 -13.783 2.203 -99.200 -91.000 PHE 74 1.000 16.111 -7.397 -6.274 -99.200 -91.000 PHE 79 1.000 12.081 -9.574 -8.844 -99.200 -91.000 HIS 86 0.900 16.397 -14.750 1.593 -99.200 -91.000 TYR 92 0.840 15.891 -6.382 -0.120 -99.200 -91.000 PHE 107 1.000 38.457 -0.556 9.097 -99.200 -91.000 PHE 108 1.000 40.328 -1.735 2.955 -99.200 -91.000 TYR 111 0.840 36.200 1.493 -1.189 -99.200 -91.000