============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 8 1.000 -2.528 9.134 17.458 -99.200 -91.000 TYR 24 0.840 3.708 6.187 32.959 -99.200 -91.000 TRP 39 1.040 8.461 6.481 18.194 -99.200 -91.000 TRP6 39 1.020 7.217 8.374 18.856 -99.200 -91.000 PHE 44 1.000 12.846 -5.214 2.658 -99.200 -91.000 TRP 62 1.040 23.091 10.335 13.882 -99.200 -91.000 TRP6 62 1.020 24.890 8.810 13.931 -99.200 -91.000 HIS 68 0.900 19.248 -9.133 18.987 -99.200 -91.000 TYR 72 0.840 23.750 -14.115 18.739 -99.200 -91.000 TRP 74 1.040 21.297 -17.657 16.454 -99.200 -91.000 TRP6 74 1.020 19.530 -16.245 17.131 -99.200 -91.000 PHE 78 1.000 22.247 -9.220 8.195 -99.200 -91.000 HIS 90 0.900 -0.929 0.490 9.777 -99.200 -91.000 TYR 95 0.840 7.261 1.753 -2.270 -99.200 -91.000 TYR 109 0.840 29.256 5.159 13.507 -99.200 -91.000 HIS 111 0.900 28.778 0.035 24.347 -99.200 -91.000 TYR 114 0.840 26.341 -7.247 20.652 -99.200 -91.000 TRP 116 1.040 30.076 -10.872 19.775 -99.200 -91.000 TRP6 116 1.020 31.062 -12.994 19.449 -99.200 -91.000 PHE 135 1.000 12.199 14.805 11.452 -99.200 -91.000 TYR 138 0.840 1.147 9.244 7.300 -99.200 -91.000 HIS 140 0.900 8.004 14.506 15.070 -99.200 -91.000 TYR 157 0.840 5.869 4.513 37.496 -99.200 -91.000 TRP 164 1.040 5.676 -3.834 10.712 -99.200 -91.000 TRP6 164 1.020 7.208 -2.044 10.921 -99.200 -91.000 PHE 201 1.000 13.599 -1.605 30.423 -99.200 -91.000 TYR 205 0.840 0.239 -7.015 31.698 -99.200 -91.000 PHE 224 1.000 9.357 -0.689 27.952 -99.200 -91.000 PHE 230 1.000 7.117 13.775 35.751 -99.200 -91.000 TRP 234 1.040 4.311 9.188 22.946 -99.200 -91.000 TRP6 234 1.020 3.530 7.188 23.933 -99.200 -91.000 TYR 235 0.840 11.442 11.882 27.272 -99.200 -91.000 TRP 242 1.040 18.343 -10.756 26.938 -99.200 -91.000 TRP6 242 1.020 17.719 -12.331 28.588 -99.200 -91.000 TYR 252 0.840 8.372 -11.671 34.139 -99.200 -91.000 PHE 254 1.000 15.357 -10.379 31.126 -99.200 -91.000 TYR 255 0.840 11.579 -4.902 26.434 -99.200 -91.000 HIS 257 0.900 18.483 1.724 32.150 -99.200 -91.000 PHE 259 1.000 20.418 8.150 32.119 -99.200 -91.000 TRP 264 1.040 28.682 3.676 22.041 -99.200 -91.000 TRP6 264 1.020 26.864 3.063 20.666 -99.200 -91.000 PHE 272 1.000 32.478 8.333 14.462 -99.200 -91.000