============================================================================= 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 -40.353 -19.385 72.603 -99.200 -91.000 HIS 48 0.900 -27.739 -12.505 58.127 -99.200 -91.000 TYR 59 0.840 -23.835 1.531 74.260 -99.200 -91.000 HIS 68 0.900 -29.923 -8.466 56.105 -99.200 -91.000 HIS 74 0.900 -32.226 -11.065 52.836 -99.200 -91.000 TYR 75 0.840 -38.392 -6.350 56.144 -99.200 -91.000 TRP 78 1.040 -37.012 -7.510 65.964 -99.200 -91.000 TRP6 78 1.020 -38.739 -8.819 65.021 -99.200 -91.000 TYR 88 0.840 -34.334 1.599 75.950 -99.200 -91.000 PHE 91 1.000 -41.250 -3.386 66.357 -99.200 -91.000 PHE 102 1.000 -31.626 0.640 69.983 -99.200 -91.000 TYR 114 0.840 -36.772 -12.860 63.031 -99.200 -91.000 HIS 118 0.900 -30.563 -14.987 55.378 -99.200 -91.000 HIS 120 0.900 -33.440 -13.187 68.350 -99.200 -91.000 TRP 121 1.040 -28.425 -13.777 62.631 -99.200 -91.000 TRP6 121 1.020 -26.529 -15.132 62.222 -99.200 -91.000