============================================================================= 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. TRP 21 1.040 17.308 -9.629 21.389 -99.200 -91.000 TRP6 21 1.020 19.251 -8.478 20.652 -99.200 -91.000 TYR 40 0.840 15.496 -3.032 37.212 -99.200 -91.000 HIS 42 0.900 11.048 1.478 30.858 -99.200 -91.000 HIS 47 0.900 4.628 -11.668 18.475 -99.200 -91.000 TYR 49 0.840 12.969 -8.063 22.121 -99.200 -91.000 PHE 74 1.000 5.939 4.050 30.403 -99.200 -91.000 TRP 80 1.040 9.006 -8.740 13.346 -99.200 -91.000 TRP6 80 1.020 11.083 -7.766 13.910 -99.200 -91.000 TYR 83 0.840 2.659 -9.549 13.318 -99.200 -91.000 HIS 84 0.900 6.053 -1.817 9.965 -99.200 -91.000 TYR 104 0.840 -2.844 0.449 31.141 -99.200 -91.000 TYR 108 0.840 2.267 -2.176 19.942 -99.200 -91.000 HIS 111 0.900 11.399 -4.527 17.723 -99.200 -91.000 TRP 112 1.040 14.097 -3.168 13.927 -99.200 -91.000 TRP6 112 1.020 16.263 -2.275 13.725 -99.200 -91.000 PHE 116 1.000 11.366 -7.068 7.824 -99.200 -91.000 PHE 122 1.000 8.507 -13.561 14.843 -99.200 -91.000 PHE 123 1.000 14.440 -10.568 10.966 -99.200 -91.000 TRP 142 1.040 2.151 8.234 13.960 -99.200 -91.000 TRP6 142 1.020 3.448 7.331 15.706 -99.200 -91.000 PHE 162 1.000 10.241 5.019 12.636 -99.200 -91.000 HIS 164 0.900 18.089 13.859 9.944 -99.200 -91.000 TYR 178 0.840 -3.562 10.698 19.641 -99.200 -91.000 HIS 188 0.900 27.047 1.529 22.090 -99.200 -91.000 TYR 190 0.840 33.315 1.314 22.752 -99.200 -91.000 TYR 199 0.840 14.785 16.043 13.962 -99.200 -91.000 TYR 210 0.840 18.527 -0.530 20.216 -99.200 -91.000 TRP 220 1.040 25.136 -9.115 15.839 -99.200 -91.000 TRP6 220 1.020 22.802 -9.300 16.141 -99.200 -91.000 HIS 241 0.900 32.213 9.138 39.653 -99.200 -91.000 PHE 252 1.000 27.624 8.404 28.113 -99.200 -91.000 PHE 274 1.000 15.754 0.506 40.422 -99.200 -91.000 PHE 277 1.000 17.517 5.448 39.869 -99.200 -91.000 PHE 279 1.000 27.301 6.598 39.610 -99.200 -91.000 TYR 292 0.840 36.243 6.996 26.410 -99.200 -91.000 TRP 296 1.040 30.808 -1.942 17.188 -99.200 -91.000 TRP6 296 1.020 29.788 -2.787 19.156 -99.200 -91.000 HIS 307 0.900 11.882 -2.084 3.835 -99.200 -91.000 TYR 310 0.840 19.376 -1.328 7.279 -99.200 -91.000 PHE 312 1.000 20.263 1.683 12.020 -99.200 -91.000 HIS 313 0.900 21.530 1.837 3.471 -99.200 -91.000 PHE 316 1.000 21.278 13.812 11.904 -99.200 -91.000