============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 9 0.840 -0.358 0.919 -24.591 -99.200 -91.000 PHE 18 1.000 0.438 16.367 -25.683 -99.200 -91.000 PHE 21 1.000 5.465 26.031 -23.403 -99.200 -91.000 TRP 23 1.040 14.576 28.974 -28.324 -99.200 -91.000 TRP6 23 1.020 15.304 27.034 -29.459 -99.200 -91.000 PHE 37 1.000 30.071 10.449 -16.428 -99.200 -91.000 PHE 51 1.000 12.736 2.496 -9.458 -99.200 -91.000 HIS 52 0.900 7.980 -0.293 -2.347 -99.200 -91.000 TYR 57 0.840 19.653 -10.538 -7.031 -99.200 -91.000 HIS 68 0.900 34.833 -1.243 -22.552 -99.200 -91.000 PHE 75 1.000 25.955 16.538 -23.447 -99.200 -91.000 TYR 96 0.840 30.481 5.742 -32.183 -99.200 -91.000 HIS 105 0.900 18.920 17.935 -28.863 -99.200 -91.000 TYR 107 0.840 24.878 22.392 -27.029 -99.200 -91.000 TRP 115 1.040 9.969 25.044 -30.073 -99.200 -91.000 TRP6 115 1.020 10.052 27.296 -29.332 -99.200 -91.000 TYR 116 0.840 8.752 21.507 -21.752 -99.200 -91.000 TRP 121 1.040 5.365 13.584 -25.163 -99.200 -91.000 TRP6 121 1.020 3.269 12.536 -24.772 -99.200 -91.000 HIS 129 0.900 14.098 14.501 -43.863 -99.200 -91.000 HIS 137 0.900 14.247 24.322 -41.909 -99.200 -91.000 HIS 140 0.900 19.882 30.056 -40.603 -99.200 -91.000 HIS 144 0.900 23.633 37.250 -36.663 -99.200 -91.000 TYR 148 0.840 11.604 33.570 -21.144 -99.200 -91.000 HIS 155 0.900 1.735 25.619 -11.439 -99.200 -91.000 TYR 183 0.840 24.916 13.917 -32.814 -99.200 -91.000 PHE 184 1.000 23.279 6.244 -34.856 -99.200 -91.000 HIS 191 0.900 8.122 12.705 -20.160 -99.200 -91.000 TRP 193 1.040 9.531 0.135 -25.985 -99.200 -91.000 TRP6 193 1.020 11.351 -0.585 -24.655 -99.200 -91.000 PHE 202 1.000 21.565 0.984 -29.400 -99.200 -91.000 PHE 205 1.000 25.693 3.681 -33.099 -99.200 -91.000 TYR 206 0.840 25.618 -3.918 -29.964 -99.200 -91.000 TRP 214 1.040 32.261 4.762 -22.912 -99.200 -91.000 TRP6 214 1.020 33.244 3.532 -21.139 -99.200 -91.000 HIS 216 0.900 27.771 10.093 -21.786 -99.200 -91.000 PHE 217 1.000 23.497 4.248 -25.088 -99.200 -91.000 HIS 218 0.900 22.721 13.692 -24.908 -99.200 -91.000 PHE 228 1.000 17.486 3.735 -27.198 -99.200 -91.000 TYR 247 0.840 17.217 -6.257 -8.205 -99.200 -91.000 HIS 250 0.900 17.485 1.562 -9.289 -99.200 -91.000 PHE 255 1.000 12.311 4.137 -14.273 -99.200 -91.000 TYR 256 0.840 13.712 -2.839 -11.086 -99.200 -91.000 TYR 257 0.840 13.289 1.344 -18.384 -99.200 -91.000 PHE 260 1.000 8.157 1.306 -10.707 -99.200 -91.000 TRP 270 1.040 1.216 13.019 -18.052 -99.200 -91.000 TRP6 270 1.020 3.058 12.292 -19.342 -99.200 -91.000 TYR 274 0.840 2.190 7.113 -22.493 -99.200 -91.000 TYR 275 0.840 6.763 5.966 -15.017 -99.200 -91.000 PHE 285 1.000 16.189 -5.158 -27.206 -99.200 -91.000 TYR 286 0.840 16.148 -11.841 -21.130 -99.200 -91.000 TYR 288 0.840 15.123 -8.913 -31.953 -99.200 -91.000 TYR 297 0.840 20.737 -10.077 -32.439 -99.200 -91.000 TRP 301 1.040 12.036 -3.812 -31.536 -99.200 -91.000 TRP6 301 1.020 11.399 -5.187 -29.709 -99.200 -91.000 TRP 304 1.040 10.931 -11.947 -32.557 -99.200 -91.000 TRP6 304 1.020 10.247 -11.104 -30.453 -99.200 -91.000 HIS 308 0.900 7.582 -13.790 -32.647 -99.200 -91.000