============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 2 1.000 26.041 27.423 0.157 -99.200 -91.000 HIS 4 0.900 14.652 31.627 2.599 -99.200 -91.000 PHE 5 1.000 21.452 33.684 7.311 -99.200 -91.000 HIS 9 0.900 10.679 46.654 8.413 -99.200 -91.000 HIS 13 0.900 14.326 52.312 10.719 -99.200 -91.000 TRP 16 1.040 14.089 51.476 4.008 -99.200 -91.000 TRP6 16 1.020 15.462 52.656 5.529 -99.200 -91.000 TRP 18 1.040 17.076 43.975 6.989 -99.200 -91.000 TRP6 18 1.020 18.399 43.397 8.863 -99.200 -91.000 HIS 19 0.900 21.692 50.049 1.419 -99.200 -91.000 HIS 30 0.900 24.616 31.831 4.017 -99.200 -91.000 PHE 53 1.000 5.575 45.010 17.245 -99.200 -91.000 TYR 56 0.840 5.367 46.399 12.303 -99.200 -91.000 PHE 63 1.000 9.577 34.114 3.517 -99.200 -91.000 TYR 92 0.840 3.358 30.205 10.134 -99.200 -91.000 PHE 101 1.000 15.828 37.397 19.442 -99.200 -91.000 HIS 102 0.900 21.455 44.278 13.573 -99.200 -91.000 HIS 111 0.900 8.861 39.011 33.444 -99.200 -91.000 TYR 115 0.840 9.643 42.309 32.108 -99.200 -91.000 PHE 124 1.000 17.097 56.983 23.829 -99.200 -91.000 TRP 127 1.040 11.984 57.363 22.520 -99.200 -91.000 TRP6 127 1.020 11.302 55.705 20.976 -99.200 -91.000 TYR 132 0.840 6.150 60.309 20.626 -99.200 -91.000 PHE 133 1.000 0.711 59.169 13.967 -99.200 -91.000 TYR 135 0.840 -3.151 54.261 14.409 -99.200 -91.000 PHE 149 1.000 13.952 63.952 8.933 -99.200 -91.000 TYR 157 0.840 19.872 55.200 10.344 -99.200 -91.000 TYR 165 0.840 20.710 61.777 9.138 -99.200 -91.000 PHE 178 1.000 1.001 48.664 16.063 -99.200 -91.000 PHE 187 1.000 1.996 36.992 30.268 -99.200 -91.000 PHE 188 1.000 5.446 37.471 22.282 -99.200 -91.000 TYR 193 0.840 10.272 34.336 21.925 -99.200 -91.000 TYR 200 0.840 20.694 40.564 22.999 -99.200 -91.000 TRP 202 1.040 25.641 42.774 23.314 -99.200 -91.000 TRP6 202 1.020 26.142 44.458 24.901 -99.200 -91.000 PHE 209 1.000 16.694 48.756 21.171 -99.200 -91.000 PHE 213 1.000 16.160 47.289 26.269 -99.200 -91.000 TRP 216 1.040 16.379 44.396 32.779 -99.200 -91.000 TRP6 216 1.020 14.607 44.079 31.246 -99.200 -91.000 TYR 221 0.840 13.451 34.080 26.957 -99.200 -91.000 TYR 227 0.840 28.020 34.808 17.664 -99.200 -91.000 HIS 234 0.900 19.472 50.429 17.308 -99.200 -91.000 TYR 255 0.840 22.150 27.450 17.011 -99.200 -91.000