============================================================================= 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 8.392 6.365 18.506 -99.200 -91.000 TRP6 14 1.020 7.043 8.158 19.311 -99.200 -91.000 PHE 19 1.000 12.676 -5.271 3.182 -99.200 -91.000 TRP 37 1.040 22.906 10.444 14.268 -99.200 -91.000 TRP6 37 1.020 24.768 9.007 14.131 -99.200 -91.000 HIS 43 0.900 19.437 -9.393 19.323 -99.200 -91.000 TYR 47 0.840 23.693 -14.402 18.905 -99.200 -91.000 TRP 49 1.040 21.971 -18.182 16.497 -99.200 -91.000 TRP6 49 1.020 20.037 -16.987 17.052 -99.200 -91.000 PHE 53 1.000 22.188 -9.316 8.658 -99.200 -91.000 HIS 65 0.900 -1.074 0.585 10.328 -99.200 -91.000 TYR 70 0.840 7.461 1.866 -1.978 -99.200 -91.000 TYR 84 0.840 29.186 5.134 14.119 -99.200 -91.000 HIS 86 0.900 28.968 -0.066 24.833 -99.200 -91.000 TYR 89 0.840 26.401 -7.416 21.055 -99.200 -91.000 TRP 91 1.040 30.012 -11.146 20.309 -99.200 -91.000 TRP6 91 1.020 30.964 -13.299 20.009 -99.200 -91.000 PHE 110 1.000 12.008 14.633 11.773 -99.200 -91.000 TYR 113 0.840 1.087 9.278 7.603 -99.200 -91.000 HIS 115 0.900 7.746 14.502 15.419 -99.200 -91.000 TYR 132 0.840 5.712 4.364 37.880 -99.200 -91.000 TRP 139 1.040 5.326 -3.878 11.259 -99.200 -91.000 TRP6 139 1.020 6.969 -2.172 11.443 -99.200 -91.000 PHE 177 1.000 13.650 -1.636 30.770 -99.200 -91.000 TYR 181 0.840 0.301 -7.221 32.011 -99.200 -91.000 PHE 200 1.000 9.126 -0.738 28.309 -99.200 -91.000 PHE 206 1.000 6.820 14.081 36.045 -99.200 -91.000 TRP 210 1.040 4.135 9.199 23.353 -99.200 -91.000 TRP6 210 1.020 3.340 7.224 24.353 -99.200 -91.000 TYR 211 0.840 11.041 11.959 27.746 -99.200 -91.000 TRP 218 1.040 18.327 -10.832 27.253 -99.200 -91.000 TRP6 218 1.020 17.804 -12.486 28.843 -99.200 -91.000 TYR 228 0.840 8.517 -11.869 34.579 -99.200 -91.000 PHE 230 1.000 15.396 -10.420 31.385 -99.200 -91.000 TYR 231 0.840 11.540 -4.982 26.810 -99.200 -91.000 HIS 233 0.900 18.369 1.468 32.519 -99.200 -91.000 PHE 235 1.000 20.137 8.270 32.420 -99.200 -91.000 TRP 240 1.040 28.632 3.797 22.694 -99.200 -91.000 TRP6 240 1.020 26.907 3.094 21.273 -99.200 -91.000 PHE 248 1.000 32.808 8.306 15.304 -99.200 -91.000