============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TRP 11 1.040 48.671 83.521 -16.146 -99.200 -91.000 TRP6 11 1.020 47.789 81.476 -16.994 -99.200 -91.000 PHE 16 1.000 51.277 78.149 -14.269 -99.200 -91.000 TRP 19 1.040 54.917 75.534 -3.802 -99.200 -91.000 TRP6 19 1.020 55.640 74.117 -2.030 -99.200 -91.000 TRP 22 1.040 59.363 78.393 0.115 -99.200 -91.000 TRP6 22 1.020 58.794 80.453 1.109 -99.200 -91.000 PHE 37 1.000 66.892 59.292 5.591 -99.200 -91.000 TRP 40 1.040 62.486 69.269 1.485 -99.200 -91.000 TRP6 40 1.020 64.763 68.901 2.052 -99.200 -91.000 TRP 41 1.040 55.627 63.323 -2.656 -99.200 -91.000 TRP6 41 1.020 53.387 63.233 -1.830 -99.200 -91.000 TRP 48 1.040 67.275 67.243 -3.078 -99.200 -91.000 TRP6 48 1.020 67.789 67.993 -5.259 -99.200 -91.000 PHE 61 1.000 62.283 67.527 -9.817 -99.200 -91.000 TRP 62 1.040 56.732 63.273 -15.003 -99.200 -91.000 TRP6 62 1.020 54.420 63.553 -14.589 -99.200 -91.000 HIS 79 0.900 49.112 53.987 -22.146 -99.200 -91.000 PHE 99 1.000 54.629 70.674 -12.687 -99.200 -91.000 PHE 104 1.000 65.034 73.890 -17.036 -99.200 -91.000 HIS 116 0.900 58.748 52.893 -12.884 -99.200 -91.000 HIS 118 0.900 55.372 52.269 -16.443 -99.200 -91.000 HIS 121 0.900 57.418 56.525 -11.536 -99.200 -91.000 HIS 137 0.900 79.798 67.019 -9.436 -99.200 -91.000 PHE 140 1.000 71.650 62.790 -15.832 -99.200 -91.000 TRP 150 1.040 68.084 59.965 -17.921 -99.200 -91.000 TRP6 150 1.020 68.479 58.448 -16.149 -99.200 -91.000 TRP 153 1.040 64.761 61.930 -23.751 -99.200 -91.000 TRP6 153 1.020 64.216 61.531 -21.470 -99.200 -91.000 PHE 182 1.000 59.112 43.148 -5.794 -99.200 -91.000 TYR 197 0.840 47.639 38.419 -27.534 -99.200 -91.000 TYR 212 0.840 67.171 53.117 -7.679 -99.200 -91.000 TYR 222 0.840 62.136 48.619 -0.836 -99.200 -91.000 HIS 223 0.900 61.354 55.984 -5.224 -99.200 -91.000 HIS 228 0.900 51.222 46.594 -10.323 -99.200 -91.000 TYR 229 0.840 52.149 42.524 -0.984 -99.200 -91.000 TYR 232 0.840 62.468 38.216 -3.964 -99.200 -91.000 TYR 233 0.840 56.943 45.315 -1.926 -99.200 -91.000 HIS 236 0.900 63.674 43.508 -2.328 -99.200 -91.000 TYR 240 0.840 69.530 44.282 1.621 -99.200 -91.000 TYR 249 0.840 46.395 54.711 -0.963 -99.200 -91.000 PHE 280 1.000 56.883 57.259 -3.346 -99.200 -91.000 HIS 281 0.900 52.692 57.034 -8.870 -99.200 -91.000 HIS 282 0.900 49.389 59.829 -1.293 -99.200 -91.000 TRP 285 1.040 48.605 59.907 -12.847 -99.200 -91.000 TRP6 285 1.020 49.251 61.596 -14.379 -99.200 -91.000 PHE 288 1.000 45.092 55.402 -11.174 -99.200 -91.000 TRP 299 1.040 49.534 51.332 11.807 -99.200 -91.000 TRP6 299 1.020 49.371 52.984 13.501 -99.200 -91.000 TYR 308 0.840 50.127 45.681 10.627 -99.200 -91.000 PHE 310 1.000 53.429 48.578 9.445 -99.200 -91.000 PHE 313 1.000 55.316 62.077 7.394 -99.200 -91.000 PHE 314 1.000 48.485 58.495 6.733 -99.200 -91.000 TRP 315 1.040 56.209 64.365 3.204 -99.200 -91.000 TRP6 315 1.020 57.