============================================================================= 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. TYR 8 0.840 58.718 15.434 -0.349 -99.200 -91.000 PHE 16 1.000 69.312 3.073 8.266 -99.200 -91.000 PHE 19 1.000 77.640 6.462 -0.767 -99.200 -91.000 PHE 31 1.000 86.725 8.498 6.180 -99.200 -91.000 TYR 35 0.840 82.815 11.118 8.854 -99.200 -91.000 HIS 36 0.900 84.321 18.853 10.621 -99.200 -91.000 TYR 37 0.840 82.853 14.943 13.331 -99.200 -91.000 PHE 75 1.000 65.193 12.497 2.970 -99.200 -91.000 TYR 97 0.840 66.973 27.935 9.085 -99.200 -91.000 PHE 102 1.000 69.288 24.022 5.555 -99.200 -91.000 PHE 104 1.000 72.668 19.162 10.006 -99.200 -91.000 TYR 107 0.840 84.222 9.503 15.510 -99.200 -91.000 PHE 108 1.000 76.547 7.739 16.477 -99.200 -91.000 TYR 112 0.840 76.799 6.992 21.263 -99.200 -91.000 HIS 127 0.900 84.191 26.253 7.016 -99.200 -91.000 PHE 131 1.000 72.449 28.128 5.911 -99.200 -91.000 TYR 136 0.840 79.152 28.519 17.331 -99.200 -91.000 TRP 149 1.040 72.136 26.528 23.446 -99.200 -91.000 TRP6 149 1.020 73.261 28.273 22.310 -99.200 -91.000 HIS 150 0.900 71.953 28.376 27.547 -99.200 -91.000 TRP 157 1.040 74.962 11.420 25.487 -99.200 -91.000 TRP6 157 1.020 73.664 10.998 23.552 -99.200 -91.000 PHE 164 1.000 72.523 11.194 15.113 -99.200 -91.000 TYR 181 0.840 67.589 39.206 16.334 -99.200 -91.000 PHE 182 1.000 63.253 37.587 18.209 -99.200 -91.000 TYR 187 0.840 70.796 39.047 20.090 -99.200 -91.000 TYR 203 0.840 69.775 35.513 12.225 -99.200 -91.000 TRP 214 1.040 75.773 29.198 0.201 -99.200 -91.000 TRP6 214 1.020 77.602 28.531 -1.127 -99.200 -91.000 PHE 226 1.000 72.336 12.183 2.672 -99.200 -91.000 HIS 231 0.900 67.019 13.647 -10.357 -99.200 -91.000 HIS 233 0.900 63.367 18.534 -0.913 -99.200 -91.000 PHE 234 1.000 66.332 21.209 -3.719 -99.200 -91.000 TYR 235 0.840 60.336 15.909 -11.535 -99.200 -91.000 TRP 247 1.040 60.874 32.767 1.810 -99.200 -91.000 TRP6 247 1.020 62.796 31.366 1.885 -99.200 -91.000 TYR 254 0.840 59.175 44.698 5.764 -99.200 -91.000 HIS 259 0.900 74.245 43.359 -0.056 -99.200 -91.000 HIS 260 0.900 69.959 40.521 3.904 -99.200 -91.000 HIS 267 0.900 71.992 33.789 -4.222 -99.200 -91.000