============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 12 0.840 8.191 2.549 29.555 -99.200 -91.000 TRP 14 1.040 8.540 -0.460 39.482 -99.200 -91.000 TRP6 14 1.020 10.771 0.048 40.044 -99.200 -91.000 PHE 18 1.000 2.858 -0.541 40.712 -99.200 -91.000 TRP 23 1.040 1.756 9.051 34.273 -99.200 -91.000 TRP6 23 1.020 4.066 9.424 34.288 -99.200 -91.000 PHE 31 1.000 10.137 7.020 32.756 -99.200 -91.000 HIS 32 0.900 10.932 13.620 28.854 -99.200 -91.000 PHE 39 1.000 16.348 7.420 40.560 -99.200 -91.000 TYR 62 0.840 11.036 1.019 49.867 -99.200 -91.000 PHE 72 1.000 4.539 8.271 51.638 -99.200 -91.000 TYR 85 0.840 0.158 9.977 42.602 -99.200 -91.000 PHE 88 1.000 7.441 0.500 43.022 -99.200 -91.000 PHE 96 1.000 8.836 17.213 41.958 -99.200 -91.000 PHE 123 1.000 3.714 13.284 62.012 -99.200 -91.000 HIS 124 0.900 3.270 16.139 68.598 -99.200 -91.000 PHE 130 1.000 2.034 2.541 62.619 -99.200 -91.000 TRP 136 1.040 12.116 5.701 68.334 -99.200 -91.000 TRP6 136 1.020 12.877 7.925 68.637 -99.200 -91.000 PHE 138 1.000 15.070 7.429 78.620 -99.200 -91.000 TYR 144 0.840 20.997 4.622 68.127 -99.200 -91.000 PHE 153 1.000 35.441 5.177 66.561 -99.200 -91.000 HIS 163 0.900 40.194 8.644 77.395 -99.200 -91.000 TYR 168 0.840 31.520 13.719 78.564 -99.200 -91.000 PHE 190 1.000 2.868 8.487 64.059 -99.200 -91.000 HIS 192 0.900 9.207 14.300 61.187 -99.200 -91.000 PHE 219 1.000 5.919 11.657 56.955 -99.200 -91.000 TYR 221 0.840 15.512 8.451 62.284 -99.200 -91.000 TYR 224 0.840 0.931 6.355 68.843 -99.200 -91.000 TYR 226 0.840 7.964 9.623 77.265 -99.200 -91.000 PHE 229 1.000 13.350 12.894 70.918 -99.200 -91.000 HIS 234 0.900 11.372 22.794 65.170 -99.200 -91.000 PHE 235 1.000 11.212 24.716 71.337 -99.200 -91.000 TRP 238 1.040 14.587 26.693 66.479 -99.200 -91.000 TRP6 238 1.020 13.918 28.884 67.009 -99.200 -91.000 TYR 240 0.840 23.203 20.957 67.066 -99.200 -91.000 TYR 242 0.840 22.275 18.916 60.865 -99.200 -91.000 TYR 244 0.840 31.505 24.689 57.408 -99.200 -91.000 TYR 247 0.840 36.000 16.693 59.502 -99.200 -91.000 PHE 249 1.000 32.030 17.520 54.743 -99.200 -91.000 PHE 250 1.000 29.008 19.491 63.449 -99.200 -91.000 TYR 257 0.840 17.234 25.145 73.166 -99.200 -91.000 HIS 265 0.900 5.591 33.306 67.544 -99.200 -91.000 PHE 266 1.000 7.136 24.883 68.122 -99.200 -91.000 TYR 270 0.840 1.980 21.079 70.414 -99.200 -91.000 PHE 274 1.000 -2.657 17.510 71.387 -99.200 -91.000 PHE 278 1.000 -3.732 27.103 75.524 -99.200 -91.000 PHE 300 1.000 10.331 14.156 77.799 -99.200 -91.000 HIS 305 0.900 21.291 18.793 73.076 -99.200 -91.000 PHE 306 1.000 22.991 10.210 77.153 -99.200 -91.000 TRP 308 1.040 18.735 13.172 67.203 -99.200 -91.000 TRP6 308 1.020 18.233 11.394 65.702 -99.200 -91.000 TRP 311 1.040 21.723 7.941 64.285 -99.200 -91.000 TRP6 311 1.020 22.707 9.474 62.817 -99.200 -91.000 PHE 323 1.000 27.485 15.181 60.024 -99.200 -91.000 TYR 325 0.840 28.264 10.305 60.493 -99.200 -91.000 TYR 328 0.840 25.352 16.134 65.019 -99.200 -91.000 PHE 333 1.000 26.761 12.357 74.451 -99.200 -91.000 TYR 336 0.840 22.798 15.164 78.953 -99.200 -91.000 PHE 337 1.000 27.526 15.960 80.314 -99.200 -91.000 HIS 338 0.900 25.056 25.982 77.542 -99.200 -91.000