============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 7 1.040 2.365 16.612 19.772 -99.200 -91.000 TRP6 7 1.020 3.606 17.558 17.983 -99.200 -91.000 HIS 12 0.900 13.764 10.518 25.054 -99.200 -91.000 TRP 14 1.040 14.444 19.430 18.316 -99.200 -91.000 TRP6 14 1.020 14.763 19.163 15.976 -99.200 -91.000 HIS 24 0.900 22.003 15.912 15.472 -99.200 -91.000 PHE 33 1.000 22.190 22.478 0.211 -99.200 -91.000 HIS 36 0.900 15.601 15.091 -3.359 -99.200 -91.000 PHE 43 1.000 19.472 26.942 0.595 -99.200 -91.000 PHE 46 1.000 24.631 27.970 2.368 -99.200 -91.000 HIS 48 0.900 30.261 29.132 -2.355 -99.200 -91.000 HIS 64 0.900 20.374 29.176 6.436 -99.200 -91.000 HIS 81 0.900 -1.578 23.496 20.690 -99.200 -91.000 HIS 82 0.900 2.434 24.012 13.880 -99.200 -91.000 HIS 93 0.900 11.681 29.468 4.154 -99.200 -91.000 HIS 97 0.900 14.004 32.880 1.730 -99.200 -91.000 TYR 103 0.840 12.786 22.480 -4.509 -99.200 -91.000 PHE 106 1.000 12.413 16.691 -3.293 -99.200 -91.000 HIS 113 0.900 19.822 8.731 5.487 -99.200 -91.000 HIS 116 0.900 17.229 4.587 11.169 -99.200 -91.000 HIS 119 0.900 20.438 11.344 17.862 -99.200 -91.000 PHE 123 1.000 13.836 8.959 14.069 -99.200 -91.000 PHE 138 1.000 7.821 22.746 8.661 -99.200 -91.000 TYR 146 0.840 4.685 27.648 0.281 -99.200 -91.000 TYR 151 0.840 3.961 32.877 -3.836 -99.200 -91.000