============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 5 0.840 70.307 8.535 100.852 -99.200 -91.000 PHE 13 1.000 54.766 9.486 118.137 -99.200 -91.000 TRP 27 1.040 40.701 -12.689 109.473 -99.200 -91.000 TRP6 27 1.020 42.724 -13.518 110.376 -99.200 -91.000 TYR 28 0.840 36.255 -5.665 116.447 -99.200 -91.000 HIS 29 0.900 31.476 -5.981 110.253 -99.200 -91.000 PHE 35 1.000 20.114 10.436 111.564 -99.200 -91.000 TYR 68 0.840 27.451 33.976 131.389 -99.200 -91.000 PHE 83 1.000 28.892 46.516 125.788 -99.200 -91.000 HIS 92 0.900 40.648 36.287 129.870 -99.200 -91.000 TYR 105 0.840 41.293 23.211 122.253 -99.200 -91.000 PHE 106 1.000 41.963 25.552 115.090 -99.200 -91.000 HIS 108 0.900 48.664 32.103 112.198 -99.200 -91.000 TRP 109 1.040 41.667 36.482 115.418 -99.200 -91.000 TRP6 109 1.020 39.814 37.890 114.979 -99.200 -91.000 PHE 115 1.000 31.366 41.037 119.326 -99.200 -91.000 PHE 117 1.000 25.534 43.766 121.894 -99.200 -91.000 PHE 119 1.000 15.403 46.627 127.238 -99.200 -91.000 TYR 133 0.840 35.867 47.108 114.748 -99.200 -91.000 HIS 152 0.900 27.669 54.808 113.943 -99.200 -91.000 TRP 155 1.040 18.710 47.267 119.999 -99.200 -91.000 TRP6 155 1.020 19.561 46.318 121.992 -99.200 -91.000 TRP 169 1.040 40.293 40.446 108.247 -99.200 -91.000 TRP6 169 1.020 41.127 39.665 110.316 -99.200 -91.000 TYR 175 0.840 44.678 33.590 107.918 -99.200 -91.000 PHE 177 1.000 50.905 35.560 115.560 -99.200 -91.000 TYR 183 0.840 51.452 43.371 112.520 -99.200 -91.000 TYR 188 0.840 40.255 49.399 122.288 -99.200 -91.000 TRP 192 1.040 29.620 54.965 123.383 -99.200 -91.000 TRP6 192 1.020 30.984 56.175 124.886 -99.200 -91.000 TYR 193 0.840 22.182 54.487 128.900 -99.200 -91.000 PHE 197 1.000 15.433 51.460 131.691 -99.200 -91.000 PHE 212 1.000 22.390 36.252 122.960 -99.200 -91.000 PHE 219 1.000 36.112 32.891 113.737 -99.200 -91.000 HIS 230 0.900 41.050 21.847 131.421 -99.200 -91.000