============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.501 6.275 18.484 -99.200 -91.000 TRP6 14 1.020 7.240 8.106 19.268 -99.200 -91.000 PHE 19 1.000 12.479 -5.535 3.440 -99.200 -91.000 TRP 37 1.040 23.151 10.101 14.027 -99.200 -91.000 TRP6 37 1.020 24.932 8.552 14.012 -99.200 -91.000 HIS 43 0.900 19.615 -9.418 19.270 -99.200 -91.000 TYR 47 0.840 24.154 -14.641 18.339 -99.200 -91.000 TRP 49 1.040 22.308 -18.495 15.880 -99.200 -91.000 TRP6 49 1.020 20.231 -17.380 15.954 -99.200 -91.000 PHE 53 1.000 22.242 -9.495 8.572 -99.200 -91.000 HIS 65 0.900 -0.841 0.578 10.337 -99.200 -91.000 TYR 70 0.840 7.249 1.588 -1.920 -99.200 -91.000 TYR 84 0.840 29.522 4.852 13.837 -99.200 -91.000 HIS 86 0.900 29.246 -0.160 24.686 -99.200 -91.000 TYR 89 0.840 26.519 -7.669 20.783 -99.200 -91.000 TRP 91 1.040 30.194 -11.386 20.188 -99.200 -91.000 TRP6 91 1.020 31.101 -13.549 20.024 -99.200 -91.000 PHE 110 1.000 12.468 14.506 11.402 -99.200 -91.000 TYR 113 0.840 1.252 9.430 7.410 -99.200 -91.000 HIS 115 0.900 8.115 14.437 15.556 -99.200 -91.000 TYR 132 0.840 6.031 4.782 37.516 -99.200 -91.000 TRP 139 1.040 5.338 -3.787 11.114 -99.200 -91.000 TRP6 139 1.020 7.055 -2.163 11.047 -99.200 -91.000 PHE 177 1.000 13.887 -1.687 30.583 -99.200 -91.000 TYR 181 0.840 0.537 -6.783 31.910 -99.200 -91.000 PHE 200 1.000 9.522 -0.634 28.011 -99.200 -91.000 PHE 206 1.000 7.377 14.266 35.690 -99.200 -91.000 TRP 210 1.040 4.479 9.358 23.173 -99.200 -91.000 TRP6 210 1.020 3.696 7.428 24.290 -99.200 -91.000 TYR 211 0.840 11.436 12.009 27.587 -99.200 -91.000 TRP 218 1.040 18.609 -10.840 26.843 -99.200 -91.000 TRP6 218 1.020 18.300 -12.271 28.690 -99.200 -91.000 TYR 228 0.840 8.624 -11.535 34.741 -99.200 -91.000 PHE 230 1.000 15.626 -10.345 31.394 -99.200 -91.000 TYR 231 0.840 11.872 -4.814 26.697 -99.200 -91.000 HIS 233 0.900 18.732 1.511 32.232 -99.200 -91.000 PHE 235 1.000 20.343 8.274 32.080 -99.200 -91.000 TRP 240 1.040 28.752 3.536 22.524 -99.200 -91.000 TRP6 240 1.020 26.945 2.932 21.132 -99.200 -91.000 PHE 248 1.000 31.889 8.364 15.159 -99.200 -91.000