============================================================================= 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. HIS 6 0.900 22.396 24.672 -5.191 -99.200 -91.000 TYR 16 0.840 5.926 5.851 -4.990 -99.200 -91.000 TRP 48 1.040 20.073 15.873 -0.995 -99.200 -91.000 TRP6 48 1.020 21.261 15.533 1.016 -99.200 -91.000 HIS 51 0.900 22.389 18.217 -7.689 -99.200 -91.000 PHE 55 1.000 29.146 15.791 -0.278 -99.200 -91.000 TRP 71 1.040 25.000 5.159 5.764 -99.200 -91.000 TRP6 71 1.020 23.318 3.530 5.986 -99.200 -91.000 TYR 81 0.840 9.165 17.579 5.861 -99.200 -91.000 PHE 86 1.000 0.633 10.042 7.279 -99.200 -91.000 TYR 92 0.840 10.453 2.945 8.170 -99.200 -91.000 TYR 96 0.840 6.495 -1.394 4.294 -99.200 -91.000 TYR 122 0.840 12.850 17.423 13.771 -99.200 -91.000 PHE 132 1.000 13.365 16.642 5.324 -99.200 -91.000 HIS 147 0.900 38.017 6.433 9.119 -99.200 -91.000 HIS 162 0.900 25.600 27.626 13.008 -99.200 -91.000 TYR 168 0.840 13.501 29.373 6.841 -99.200 -91.000 HIS 173 0.900 9.791 30.185 12.008 -99.200 -91.000 HIS 200 0.900 16.477 -3.870 14.910 -99.200 -91.000 PHE 201 1.000 17.060 -2.199 9.320 -99.200 -91.000 TYR 202 0.840 27.336 -5.672 11.419 -99.200 -91.000 HIS 213 0.900 19.085 -5.518 -3.608 -99.200 -91.000 PHE 216 1.000 20.704 -1.566 4.621 -99.200 -91.000