============================================================================= 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 8.224 6.462 18.681 -99.200 -91.000 TRP6 14 1.020 6.942 8.300 19.440 -99.200 -91.000 PHE 19 1.000 12.459 -5.316 3.403 -99.200 -91.000 TRP 37 1.040 22.842 10.419 14.426 -99.200 -91.000 TRP6 37 1.020 24.722 8.981 14.412 -99.200 -91.000 HIS 43 0.900 19.078 -8.966 19.511 -99.200 -91.000 TYR 47 0.840 23.677 -14.271 19.112 -99.200 -91.000 TRP 49 1.040 21.681 -17.963 16.566 -99.200 -91.000 TRP6 49 1.020 19.781 -16.683 17.164 -99.200 -91.000 PHE 53 1.000 22.133 -9.288 8.682 -99.200 -91.000 HIS 65 0.900 -1.173 0.716 10.229 -99.200 -91.000 TYR 70 0.840 7.293 1.759 -1.933 -99.200 -91.000 TYR 84 0.840 29.173 5.168 14.214 -99.200 -91.000 HIS 86 0.900 28.925 -0.114 24.877 -99.200 -91.000 TYR 89 0.840 26.359 -7.388 21.057 -99.200 -91.000 TRP 91 1.040 29.913 -11.030 20.417 -99.200 -91.000 TRP6 91 1.020 30.872 -13.160 20.015 -99.200 -91.000 PHE 110 1.000 12.011 14.884 11.903 -99.200 -91.000 TYR 113 0.840 1.066 9.437 7.600 -99.200 -91.000 HIS 115 0.900 7.721 14.660 15.549 -99.200 -91.000 TYR 132 0.840 5.489 4.498 38.124 -99.200 -91.000 TRP 139 1.040 5.373 -3.701 11.161 -99.200 -91.000 TRP6 139 1.020 6.972 -1.970 11.374 -99.200 -91.000 PHE 176 1.000 13.590 -1.561 30.947 -99.200 -91.000 TYR 180 0.840 0.158 -7.092 32.094 -99.200 -91.000 PHE 199 1.000 9.142 -0.562 28.363 -99.200 -91.000 PHE 205 1.000 6.776 14.076 36.147 -99.200 -91.000 TRP 209 1.040 4.111 9.359 23.406 -99.200 -91.000 TRP6 209 1.020 3.338 7.340 24.376 -99.200 -91.000 TYR 210 0.840 11.022 12.086 27.768 -99.200 -91.000 TRP 217 1.040 18.292 -10.783 27.251 -99.200 -91.000 TRP6 217 1.020 17.707 -12.382 28.901 -99.200 -91.000 TYR 227 0.840 8.326 -11.801 34.691 -99.200 -91.000 PHE 229 1.000 15.305 -10.331 31.611 -99.200 -91.000 TYR 230 0.840 11.493 -4.847 26.982 -99.200 -91.000 HIS 232 0.900 18.371 1.828 32.594 -99.200 -91.000 PHE 234 1.000 20.106 8.407 32.626 -99.200 -91.000 TRP 239 1.040 28.789 3.829 22.661 -99.200 -91.000 TRP6 239 1.020 27.001 3.143 21.273 -99.200 -91.000 PHE 247 1.000 32.725 8.627 15.171 -99.200 -91.000