============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TRP 10 1.040 85.515 37.380 -17.008 -99.200 -91.000 TRP6 10 1.020 84.471 35.582 -15.855 -99.200 -91.000 TYR 17 0.840 84.606 42.205 -27.740 -99.200 -91.000 PHE 27 1.000 94.043 51.669 -14.185 -99.200 -91.000 HIS 39 0.900 84.830 38.711 -26.546 -99.200 -91.000 PHE 47 1.000 80.958 37.826 -10.461 -99.200 -91.000 PHE 61 1.000 82.159 47.023 -17.519 -99.200 -91.000 TRP 62 1.040 74.047 40.533 -17.257 -99.200 -91.000 TRP6 62 1.020 74.791 39.336 -19.166 -99.200 -91.000 HIS 64 0.900 68.983 47.230 -13.453 -99.200 -91.000 PHE 67 1.000 76.154 43.755 -11.358 -99.200 -91.000 TYR 70 0.840 75.992 38.339 -10.366 -99.200 -91.000 PHE 85 1.000 82.236 58.448 -10.245 -99.200 -91.000 TYR 90 0.840 71.369 61.879 -16.423 -99.200 -91.000 PHE 92 1.000 67.585 57.011 -14.777 -99.200 -91.000 TRP 94 1.040 74.853 57.198 -8.531 -99.200 -91.000 TRP6 94 1.020 76.840 55.899 -8.458 -99.200 -91.000 TYR 99 0.840 70.260 42.869 -2.657 -99.200 -91.000 TYR 106 0.840 82.116 52.691 -9.372 -99.200 -91.000 TYR 117 0.840 61.603 52.646 -39.604 -99.200 -91.000 TRP 129 1.040 54.063 43.513 -31.187 -99.200 -91.000 TRP6 129 1.020 55.687 41.995 -31.916 -99.200 -91.000 PHE 149 1.000 61.139 39.320 -31.961 -99.200 -91.000 TYR 155 0.840 66.789 42.765 -22.971 -99.200 -91.000 PHE 156 1.000 67.046 40.445 -27.954 -99.200 -91.000 TRP 158 1.040 58.762 40.887 -19.644 -99.200 -91.000 TRP6 158 1.020 57.607 39.087 -18.659 -99.200 -91.000 TYR 167 0.840 52.022 40.423 -12.324 -99.200 -91.000 PHE 169 1.000 59.874 38.036 -9.372 -99.200 -91.000 TYR 171 0.840 57.469 48.857 -7.310 -99.200 -91.000 TYR 176 0.840 60.183 44.838 -7.653 -99.200 -91.000 PHE 194 1.000 50.215 38.901 -32.873 -99.200 -91.000 HIS 203 0.900 52.596 35.593 -41.231 -99.200 -91.000 TYR 210 0.840 72.203 40.034 -31.063 -99.200 -91.000 PHE 217 1.000 67.173 46.221 -40.130 -99.200 -91.000 TRP 230 1.040 73.109 45.237 -28.169 -99.200 -91.000 TRP6 230 1.020 71.527 45.706 -26.461 -99.200 -91.000 TRP 232 1.040 70.832 51.518 -32.580 -99.200 -91.000 TRP6 232 1.020 70.754 53.307 -30.988 -99.200 -91.000 TYR 242 0.840 70.186 52.384 -38.401 -99.200 -91.000 PHE 250 1.000 49.160 41.097 -28.069 -99.200 -91.000 PHE 258 1.000 61.231 43.179 -16.539 -99.200 -91.000 PHE 279 1.000 89.228 50.335 -16.476 -99.200 -91.000 TYR 283 0.840 92.803 56.039 -15.987 -99.200 -91.000 TYR 307 0.840 79.737 60.209 -24.366 -99.200 -91.000 PHE 339 1.000 60.925 37.449 -15.684 -99.200 -91.000 TRP 340 1.040 65.785 37.758 -16.726 -99.200 -91.000 TRP6 340 1.020 64.343 38.666 -18.401 -99.200 -91.000 TYR 341 0.840 66.316 27.423 -15.310 -99.200 -91.000 HIS 367 0.900 62.319 26.317 -12.490 -99.200 -91.000 TRP 394 1.040 79.865 26.245 -6.622 -99.200 -91.000 TRP6 394 1.020 77.974 27.578 -6.109 -99.200 -91.000 TYR 396 0.840 82.056 21.066 3.046 -99.200 -91.000