============================================================================= 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 7 0.840 -40.379 -19.405 72.622 -99.200 -91.000 HIS 48 0.900 -27.703 -12.519 58.115 -99.200 -91.000 TYR 59 0.840 -23.837 1.497 74.270 -99.200 -91.000 HIS 68 0.900 -29.914 -8.494 56.113 -99.200 -91.000 HIS 74 0.900 -32.220 -11.077 52.803 -99.200 -91.000 TYR 75 0.840 -38.403 -6.332 56.162 -99.200 -91.000 TRP 78 1.040 -36.987 -7.472 66.008 -99.200 -91.000 TRP6 78 1.020 -38.696 -8.814 65.078 -99.200 -91.000 TYR 88 0.840 -34.328 1.595 75.964 -99.200 -91.000 PHE 91 1.000 -41.226 -3.407 66.346 -99.200 -91.000 PHE 102 1.000 -31.670 0.646 69.987 -99.200 -91.000 TYR 114 0.840 -36.767 -12.870 63.065 -99.200 -91.000 HIS 118 0.900 -30.545 -15.037 55.401 -99.200 -91.000 HIS 120 0.900 -33.471 -13.189 68.365 -99.200 -91.000 TRP 121 1.040 -28.457 -13.767 62.632 -99.200 -91.000 TRP6 121 1.020 -26.586 -15.144 62.191 -99.200 -91.000