============================================================================= 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 8.291 6.152 18.545 -99.200 -91.000 TRP6 14 1.020 7.123 8.015 19.338 -99.200 -91.000 PHE 19 1.000 12.633 -5.456 3.260 -99.200 -91.000 TRP 37 1.040 22.918 10.240 14.328 -99.200 -91.000 TRP6 37 1.020 24.668 8.685 14.270 -99.200 -91.000 HIS 43 0.900 19.122 -9.066 19.620 -99.200 -91.000 TYR 47 0.840 23.749 -14.276 18.910 -99.200 -91.000 TRP 49 1.040 22.447 -18.308 16.462 -99.200 -91.000 TRP6 49 1.020 20.584 -17.025 17.054 -99.200 -91.000 PHE 53 1.000 22.533 -9.278 8.522 -99.200 -91.000 HIS 65 0.900 -0.995 0.542 10.376 -99.200 -91.000 TYR 70 0.840 7.528 1.566 -1.812 -99.200 -91.000 TYR 84 0.840 29.169 5.050 14.123 -99.200 -91.000 HIS 86 0.900 28.824 0.021 24.656 -99.200 -91.000 TYR 89 0.840 26.408 -7.407 20.973 -99.200 -91.000 TRP 91 1.040 29.910 -11.009 20.428 -99.200 -91.000 TRP6 91 1.020 31.032 -13.064 20.071 -99.200 -91.000 PHE 110 1.000 11.983 14.676 11.742 -99.200 -91.000 TYR 113 0.840 1.055 9.260 7.623 -99.200 -91.000 HIS 115 0.900 7.781 14.359 15.742 -99.200 -91.000 TYR 132 0.840 5.655 4.345 37.834 -99.200 -91.000 TRP 139 1.040 5.335 -3.990 11.188 -99.200 -91.000 TRP6 139 1.020 6.835 -2.188 11.260 -99.200 -91.000 PHE 177 1.000 13.615 -1.507 30.847 -99.200 -91.000 TYR 181 0.840 0.314 -7.196 32.193 -99.200 -91.000 PHE 200 1.000 9.280 -0.650 28.340 -99.200 -91.000 PHE 206 1.000 6.989 13.967 35.865 -99.200 -91.000 TRP 210 1.040 4.081 9.263 23.409 -99.200 -91.000 TRP6 210 1.020 3.250 7.280 24.314 -99.200 -91.000 TYR 211 0.840 11.145 11.974 27.774 -99.200 -91.000 TRP 218 1.040 18.283 -10.721 27.223 -99.200 -91.000 TRP6 218 1.020 17.679 -12.322 28.823 -99.200 -91.000 TYR 228 0.840 8.748 -11.905 34.772 -99.200 -91.000 PHE 230 1.000 15.271 -10.647 31.538 -99.200 -91.000 TYR 231 0.840 11.629 -4.906 27.035 -99.200 -91.000 HIS 233 0.900 18.268 1.762 32.577 -99.200 -91.000 PHE 235 1.000 20.126 8.388 32.423 -99.200 -91.000 TRP 240 1.040 28.605 3.874 22.620 -99.200 -91.000 TRP6 240 1.020 26.812 3.200 21.285 -99.200 -91.000 PHE 248 1.000 32.568 8.446 15.369 -99.200 -91.000