============================================================================= 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. PHE 9 1.000 27.240 93.705 23.634 -99.200 -91.000 PHE 15 1.000 21.631 80.515 13.573 -99.200 -91.000 TYR 21 0.840 20.620 74.716 11.588 -99.200 -91.000 TYR 28 0.840 36.071 75.621 17.131 -99.200 -91.000 TRP 43 1.040 27.098 79.626 13.972 -99.200 -91.000 TRP6 43 1.020 26.585 81.912 13.584 -99.200 -91.000 TYR 46 0.840 27.523 70.727 14.479 -99.200 -91.000 TRP 54 1.040 25.879 78.025 5.648 -99.200 -91.000 TRP6 54 1.020 24.037 76.615 5.292 -99.200 -91.000 PHE 55 1.000 33.397 76.695 8.723 -99.200 -91.000 TRP 67 1.040 26.187 90.457 16.627 -99.200 -91.000 TRP6 67 1.020 28.423 90.194 15.953 -99.200 -91.000 TRP 80 1.040 34.236 65.716 1.118 -99.200 -91.000 TRP6 80 1.020 36.475 65.551 1.845 -99.200 -91.000 TYR 84 0.840 33.294 68.447 13.260 -99.200 -91.000 TYR 89 0.840 45.587 86.359 11.102 -99.200 -91.000 PHE 95 1.000 51.615 86.716 5.444 -99.200 -91.000 TYR 98 0.840 45.444 85.127 -1.544 -99.200 -91.000 TYR 122 0.840 37.004 78.137 0.991 -99.200 -91.000 TYR 129 0.840 29.373 93.008 2.991 -99.200 -91.000 TRP 131 1.040 33.444 84.587 2.608 -99.200 -91.000 TRP6 131 1.020 35.177 84.980 4.132 -99.200 -91.000 PHE 133 1.000 40.782 75.825 -2.152 -99.200 -91.000 HIS 136 0.900 42.190 71.618 -1.110 -99.200 -91.000 TRP 153 1.040 41.140 66.568 15.512 -99.200 -91.000 TRP6 153 1.020 38.946 65.741 15.237 -99.200 -91.000 PHE 156 1.000 45.038 81.515 17.141 -99.200 -91.000 TYR 160 0.840 58.416 85.201 14.586 -99.200 -91.000 TYR 167 0.840 50.964 78.509 15.982 -99.200 -91.000 TYR 168 0.840 47.807 71.322 11.291 -99.200 -91.000 HIS 177 0.900 54.350 61.698 20.926 -99.200 -91.000 HIS 183 0.900 54.946 75.691 13.480 -99.200 -91.000 TRP 192 1.040 49.783 76.087 3.255 -99.200 -91.000 TRP6 192 1.020 49.441 77.550 5.077 -99.200 -91.000 TYR 201 0.840 52.315 67.180 27.010 -99.200 -91.000 TYR 204 0.840 48.655 55.730 20.380 -99.200 -91.000 TYR 205 0.840 46.071 54.732 24.741 -99.200 -91.000 TYR 221 0.840 54.823 85.949 19.231 -99.200 -91.000 TYR 223 0.840 51.209 76.144 21.328 -99.200 -91.000 TYR 225 0.840 49.569 72.968 25.531 -99.200 -91.000 TYR 227 0.840 49.393 66.958 29.379 -99.200 -91.000 TYR 239 0.840 42.320 61.623 28.467 -99.200 -91.000 TRP 240 1.040 42.512 66.563 34.266 -99.200 -91.000 TRP6 240 1.020 42.259 68.585 35.454 -99.200 -91.000 PHE 241 1.000 40.357 66.206 26.908 -99.200 -91.000 TYR 244 0.840 49.478 71.348 31.929 -99.200 -91.000 TYR 245 0.840 51.109 79.365 31.066 -99.200 -91.000 PHE 254 1.000 54.807 78.879 21.174 -99.200 -91.000 HIS 259 0.900 54.053 70.450 30.925 -99.200 -91.000 HIS 260 0.900 55.452 77.281 32.936 -99.200 -91.000 TYR 275 0.840 40.326 82.479 21.114 -99.200 -91.000 TRP 278 1.040 49.330 91.363 26.351 -99.200 -91.000 TRP6 278 1.020 49.625 93.371 25.152 -99.200 -91.000 TYR 281 0.840 42.601 96.565 32.457 -99.200 -91.000 PHE 299 1.000 40.135 80.609 35.056 -99.200 -91.000 TRP 310 1.040 48.270 81.833 35.024 -99.200 -91.000 TRP6 310 1.020 47.387 82.612 32.984 -99.200 -91.000 TRP 313 1.040 39.944 88.723 37.270 -99.200 -91.000 TRP6 313 1.020 40.274 90.016 39.209 -99.200 -91.000 TYR 321 0.840 34.495 72.169 22.368 -99.200 -91.000 PHE 328 1.000 35.198 95.384 21.012 -99.200 -91.000