============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 3 0.840 31.639 -20.447 22.179 -99.200 -91.000 TRP 21 1.040 31.640 0.110 32.699 -99.200 -91.000 TRP6 21 1.020 33.521 0.690 31.385 -99.200 -91.000 PHE 40 1.000 49.799 4.436 22.491 -99.200 -91.000 TYR 49 0.840 51.613 -3.920 16.888 -99.200 -91.000 PHE 50 1.000 47.883 1.698 19.262 -99.200 -91.000 HIS 68 0.900 42.301 3.338 19.756 -99.200 -91.000 TYR 74 0.840 30.839 5.141 24.402 -99.200 -91.000 PHE 79 1.000 34.656 -6.570 25.094 -99.200 -91.000 PHE 96 1.000 34.576 -4.331 19.653 -99.200 -91.000 HIS 100 0.900 41.933 -5.505 18.669 -99.200 -91.000 PHE 110 1.000 43.109 -7.293 23.456 -99.200 -91.000 PHE 126 1.000 37.039 0.709 42.134 -99.200 -91.000 TYR 130 0.840 37.184 -4.105 42.921 -99.200 -91.000 TRP 134 1.040 38.112 -4.427 35.189 -99.200 -91.000 TRP6 134 1.020 36.955 -3.761 33.238 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================