============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.045 11.875 18.561 -99.200 -91.000 TRP6 14 1.020 6.673 13.662 19.296 -99.200 -91.000 PHE 19 1.000 12.631 0.188 3.237 -99.200 -91.000 TRP 37 1.040 22.620 15.989 14.345 -99.200 -91.000 TRP6 37 1.020 24.416 14.444 14.222 -99.200 -91.000 HIS 43 0.900 19.179 -3.440 19.643 -99.200 -91.000 TYR 47 0.840 23.261 -8.460 19.010 -99.200 -91.000 TRP 49 1.040 21.025 -11.808 16.508 -99.200 -91.000 TRP6 49 1.020 19.174 -10.378 16.876 -99.200 -91.000 PHE 53 1.000 22.171 -3.454 8.704 -99.200 -91.000 HIS 65 0.900 -1.089 5.945 10.177 -99.200 -91.000 TYR 70 0.840 7.326 7.181 -1.931 -99.200 -91.000 TYR 84 0.840 28.873 10.941 14.007 -99.200 -91.000 HIS 86 0.900 28.564 5.543 24.815 -99.200 -91.000 TYR 89 0.840 26.197 -1.721 21.106 -99.200 -91.000 TRP 91 1.040 29.792 -5.609 20.373 -99.200 -91.000 TRP6 91 1.020 30.598 -7.815 20.047 -99.200 -91.000 PHE 110 1.000 11.917 20.109 11.760 -99.200 -91.000 TYR 113 0.840 0.931 14.840 7.493 -99.200 -91.000 HIS 115 0.900 7.552 20.059 15.514 -99.200 -91.000 TYR 132 0.840 5.387 10.198 37.960 -99.200 -91.000 TRP 139 1.040 5.300 1.461 11.256 -99.200 -91.000 TRP6 139 1.020 6.856 3.245 11.416 -99.200 -91.000 PHE 177 1.000 13.407 4.067 30.870 -99.200 -91.000 TYR 181 0.840 -0.010 -1.367 32.167 -99.200 -91.000 PHE 200 1.000 8.969 5.031 28.354 -99.200 -91.000 PHE 206 1.000 6.675 19.826 35.985 -99.200 -91.000 TRP 210 1.040 3.969 14.918 23.262 -99.200 -91.000 TRP6 210 1.020 3.126 12.978 24.331 -99.200 -91.000 TYR 211 0.840 10.967 17.647 27.588 -99.200 -91.000 TRP 218 1.040 17.921 -5.346 27.197 -99.200 -91.000 TRP6 218 1.020 17.340 -6.877 28.910 -99.200 -91.000 TYR 228 0.840 8.179 -6.032 34.830 -99.200 -91.000 PHE 230 1.000 15.134 -4.711 31.700 -99.200 -91.000 TYR 231 0.840 11.376 0.833 27.030 -99.200 -91.000 HIS 233 0.900 18.112 7.239 32.618 -99.200 -91.000 PHE 235 1.000 19.790 13.936 32.567 -99.200 -91.000 TRP 240 1.040 28.489 9.396 22.667 -99.200 -91.000 TRP6 240 1.020 26.754 8.648 21.235 -99.200 -91.000 PHE 248 1.000 32.568 13.865 15.154 -99.200 -91.000