============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 20 1.040 31.166 7.777 5.656 -99.200 -91.000 TRP6 20 1.020 30.096 5.770 6.301 -99.200 -91.000 PHE 29 1.000 36.319 -3.494 4.438 -99.200 -91.000 TRP 40 1.040 29.048 -2.897 5.839 -99.200 -91.000 TRP6 40 1.020 28.663 -1.134 7.353 -99.200 -91.000 PHE 43 1.000 18.734 1.309 3.458 -99.200 -91.000 TYR 67 0.840 36.346 3.710 -5.112 -99.200 -91.000 PHE 75 1.000 51.748 6.462 -5.082 -99.200 -91.000 TRP 80 1.040 33.535 -0.584 -7.174 -99.200 -91.000 TRP6 80 1.020 35.092 -1.523 -5.658 -99.200 -91.000 PHE 100 1.000 53.266 2.657 -2.699 -99.200 -91.000 TYR 111 0.840 46.941 6.973 -2.659 -99.200 -91.000 PHE 112 1.000 52.034 13.543 1.497 -99.200 -91.000 HIS 128 0.900 66.141 0.996 10.004 -99.200 -91.000 TYR 133 0.840 58.568 6.395 -2.567 -99.200 -91.000 PHE 136 1.000 53.533 16.678 -5.538 -99.200 -91.000 HIS 139 0.900 48.622 10.598 -13.184 -99.200 -91.000 HIS 140 0.900 54.775 15.930 -10.425 -99.200 -91.000 TYR 144 0.840 57.007 14.051 0.694 -99.200 -91.000 PHE 145 1.000 60.138 10.367 5.837 -99.200 -91.000 TRP 156 1.040 48.644 16.173 5.454 -99.200 -91.000 TRP6 156 1.020 47.945 14.051 4.659 -99.200 -91.000 HIS 160 0.900 43.953 22.035 5.135 -99.200 -91.000 PHE 163 1.000 52.799 13.577 6.621 -99.200 -91.000 TYR 164 0.840 49.676 16.123 13.518 -99.200 -91.000 TYR 165 0.840 55.583 8.531 8.222 -99.200 -91.000 TYR 171 0.840 57.858 -0.022 19.113 -99.200 -91.000 PHE 176 1.000 57.916 14.478 8.896 -99.200 -91.000 TYR 178 0.840 50.919 19.553 3.903 -99.200 -91.000 TYR 192 0.840 51.419 9.078 23.041 -99.200 -91.000 TRP 213 1.040 40.407 10.164 17.914 -99.200 -91.000 TRP6 213 1.020 39.448 9.173 19.814 -99.200 -91.000 TYR 217 0.840 49.354 -5.932 14.635 -99.200 -91.000 PHE 248 1.000 36.604 10.389 14.327 -99.200 -91.000 TYR 253 0.840 32.772 12.632 7.170 -99.200 -91.000 TYR 257 0.840 32.009 3.005 10.360 -99.200 -91.000 PHE 280 1.000 35.214 -5.150 16.339 -99.200 -91.000 TYR 293 0.840 41.673 16.805 3.168 -99.200 -91.000 TYR 295 0.840 45.785 11.279 -7.407 -99.200 -91.000