============================================================================= 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. TRP 21 1.040 16.621 -1.374 5.080 -99.200 -91.000 TRP6 21 1.020 18.120 0.165 4.055 -99.200 -91.000 HIS 23 0.900 10.832 4.115 11.877 -99.200 -91.000 TRP 47 1.040 9.287 12.046 17.592 -99.200 -91.000 TRP6 47 1.020 9.383 12.068 19.980 -99.200 -91.000 PHE 63 1.000 13.426 -0.263 1.575 -99.200 -91.000 HIS 74 0.900 5.647 3.443 24.579 -99.200 -91.000 HIS 76 0.900 4.310 7.433 27.102 -99.200 -91.000 HIS 94 0.900 -1.222 -5.808 12.808 -99.200 -91.000 TYR 108 0.840 -2.610 10.355 20.624 -99.200 -91.000 PHE 123 1.000 3.350 -8.717 9.284 -99.200 -91.000 PHE 131 1.000 7.533 -11.753 26.404 -99.200 -91.000 TYR 132 0.840 2.325 -6.480 29.054 -99.200 -91.000 HIS 137 0.900 8.517 4.593 28.258 -99.200 -91.000 TRP 145 1.040 12.775 -13.248 18.813 -99.200 -91.000 TRP6 145 1.020 14.989 -12.688 19.433 -99.200 -91.000 TYR 149 0.840 16.363 -11.299 9.405 -99.200 -91.000 TYR 173 0.840 2.850 1.041 36.017 -99.200 -91.000 TRP 177 1.040 11.901 -0.527 32.716 -99.200 -91.000 TRP6 177 1.020 11.786 1.809 32.577 -99.200 -91.000 TYR 188 0.840 12.358 -12.782 22.731 -99.200 -91.000 HIS 198 0.900 13.167 7.782 22.477 -99.200 -91.000 HIS 209 0.900 22.810 2.031 30.278 -99.200 -91.000