============================================================================= 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. HIS 13 0.900 64.762 48.822 1.950 -99.200 -91.000 TRP 16 1.040 59.268 39.384 5.640 -99.200 -91.000 TRP6 16 1.020 57.595 38.118 6.729 -99.200 -91.000 HIS 36 0.900 71.938 66.173 10.214 -99.200 -91.000 TRP 52 1.040 68.504 34.989 9.375 -99.200 -91.000 TRP6 52 1.020 69.060 34.423 11.614 -99.200 -91.000 TYR 67 0.840 78.817 52.082 2.012 -99.200 -91.000 HIS 83 0.900 60.584 34.151 12.795 -99.200 -91.000 PHE 84 1.000 58.454 40.491 18.291 -99.200 -91.000 TYR 86 0.840 63.042 31.852 21.176 -99.200 -91.000 HIS 93 0.900 75.170 38.816 19.557 -99.200 -91.000 TYR 121 0.840 51.927 57.246 17.295 -99.200 -91.000 HIS 129 0.900 59.939 61.924 15.655 -99.200 -91.000 HIS 131 0.900 60.424 56.685 16.486 -99.200 -91.000 TRP 135 1.040 66.184 55.284 13.693 -99.200 -91.000 TRP6 135 1.020 64.616 53.859 12.618 -99.200 -91.000