============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 7 0.840 -13.098 17.820 26.001 -99.200 -91.000 TRP 10 1.040 -8.748 20.793 27.441 -99.200 -91.000 TRP6 10 1.020 -8.054 19.421 25.647 -99.200 -91.000 TYR 13 0.840 -8.480 22.741 32.819 -99.200 -91.000 PHE 20 1.000 11.733 16.740 37.165 -99.200 -91.000 TYR 24 0.840 14.412 8.288 41.947 -99.200 -91.000 TYR 40 0.840 12.096 2.342 27.041 -99.200 -91.000 PHE 57 1.000 3.971 17.425 20.133 -99.200 -91.000 TRP 61 1.040 7.893 19.437 15.810 -99.200 -91.000 TRP6 61 1.020 7.870 21.242 14.283 -99.200 -91.000 TRP 63 1.040 11.818 16.605 19.736 -99.200 -91.000 TRP6 63 1.020 10.473 16.060 21.594 -99.200 -91.000 TYR 73 0.840 -1.301 -5.622 33.451 -99.200 -91.000 PHE 74 1.000 3.469 -8.262 31.624 -99.200 -91.000 TYR 87 0.840 -6.912 13.284 36.447 -99.200 -91.000 TYR 96 0.840 1.740 -5.622 37.132 -99.200 -91.000 TYR 100 0.840 11.406 -3.770 33.686 -99.200 -91.000 HIS 146 0.900 6.883 23.230 31.264 -99.200 -91.000 TYR 152 0.840 16.033 13.388 26.966 -99.200 -91.000 HIS 171 0.900 -21.549 22.803 14.882 -99.200 -91.000 PHE 177 1.000 -14.685 10.808 13.806 -99.200 -91.000 TYR 194 0.840 -4.231 3.817 17.486 -99.200 -91.000 PHE 200 1.000 -15.691 11.812 17.448 -99.200 -91.000 HIS 217 0.900 -0.816 3.981 1.391 -99.200 -91.000 HIS 218 0.900 3.101 -1.803 2.012 -99.200 -91.000 TRP 220 1.040 -7.903 0.391 5.693 -99.200 -91.000 TRP6 220 1.020 -7.396 2.338 4.470 -99.200 -91.000 HIS 235 0.900 3.843 22.285 11.278 -99.200 -91.000 HIS 240 0.900 5.577 9.512 7.983 -99.200 -91.000 TYR 256 0.840 -11.457 16.883 8.754 -99.200 -91.000 HIS 261 0.900 2.230 24.646 16.289 -99.200 -91.000 PHE 268 1.000 -7.540 17.628 14.690 -99.200 -91.000