============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 3 0.840 -3.773 27.604 53.741 -99.200 -91.000 HIS 4 0.900 -13.280 30.782 51.730 -99.200 -91.000 HIS 17 0.900 -9.419 8.580 54.296 -99.200 -91.000 TYR 32 0.840 -20.409 6.033 55.545 -99.200 -91.000 TYR 34 0.840 -11.681 11.732 58.456 -99.200 -91.000 HIS 40 0.900 -25.195 12.759 58.528 -99.200 -91.000 HIS 41 0.900 -21.950 15.878 63.291 -99.200 -91.000 HIS 43 0.900 -24.255 21.469 62.022 -99.200 -91.000 PHE 58 1.000 -12.196 17.830 59.008 -99.200 -91.000 TYR 62 0.840 -18.960 15.211 68.383 -99.200 -91.000 PHE 72 1.000 -14.658 15.644 72.293 -99.200 -91.000 TRP 74 1.040 -12.900 12.423 66.176 -99.200 -91.000 TRP6 74 1.020 -14.547 11.489 64.737 -99.200 -91.000 HIS 79 0.900 0.245 18.583 53.931 -99.200 -91.000 HIS 85 0.900 0.543 29.781 56.237 -99.200 -91.000 HIS 93 0.900 -14.853 30.054 59.717 -99.200 -91.000 HIS 102 0.900 -27.716 30.111 72.876 -99.200 -91.000 HIS 105 0.900 -17.477 25.352 80.321 -99.200 -91.000 PHE 121 1.000 -7.621 21.920 71.024 -99.200 -91.000 HIS 131 0.900 -10.268 30.816 84.265 -99.200 -91.000 PHE 137 1.000 -12.137 10.827 76.822 -99.200 -91.000 PHE 138 1.000 -12.575 5.838 79.983 -99.200 -91.000 PHE 147 1.000 -14.694 29.405 75.036 -99.200 -91.000