============================================================================= 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. PHE 5 1.000 0.540 25.840 10.697 -99.200 -91.000 TYR 20 0.840 -10.203 22.649 -2.983 -99.200 -91.000 TYR 23 0.840 -18.487 27.593 -4.246 -99.200 -91.000 HIS 28 0.900 -12.564 38.917 -2.760 -99.200 -91.000 HIS 44 0.900 -2.707 21.371 -8.015 -99.200 -91.000 HIS 48 0.900 1.105 10.884 -5.276 -99.200 -91.000 TYR 53 0.840 -1.407 17.758 1.207 -99.200 -91.000 PHE 58 1.000 -8.935 30.412 11.029 -99.200 -91.000 HIS 67 0.900 -12.756 31.097 7.786 -99.200 -91.000 HIS 72 0.900 -16.354 34.080 4.201 -99.200 -91.000 PHE 76 1.000 -12.660 25.222 1.382 -99.200 -91.000 HIS 93 0.900 1.592 24.794 20.857 -99.200 -91.000 PHE 105 1.000 4.520 33.529 -4.396 -99.200 -91.000 PHE 121 1.000 13.662 20.068 14.500 -99.200 -91.000 HIS 123 0.900 17.693 28.621 20.343 -99.200 -91.000 TRP 149 1.040 8.863 19.607 15.419 -99.200 -91.000 TRP6 149 1.020 9.137 21.916 15.904 -99.200 -91.000 TYR 150 0.840 2.266 17.429 9.575 -99.200 -91.000 PHE 151 1.000 9.563 22.355 10.059 -99.200 -91.000 TYR 155 0.840 11.424 27.642 -0.543 -99.200 -91.000 TYR 161 0.840 13.953 23.813 -2.823 -99.200 -91.000 HIS 164 0.900 15.556 28.249 3.099 -99.200 -91.000 HIS 169 0.900 20.377 32.211 6.737 -99.200 -91.000 TYR 170 0.840 19.195 24.232 4.674 -99.200 -91.000 TYR 173 0.840 17.168 23.459 10.318 -99.200 -91.000