============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 26 0.840 -1.351 3.511 -0.508 -99.200 -91.000 PHE 38 1.000 -3.540 24.921 16.101 -99.200 -91.000 HIS 49 0.900 -4.496 1.106 20.008 -99.200 -91.000 HIS 51 0.900 -2.515 3.206 10.979 -99.200 -91.000 HIS 54 0.900 2.391 2.920 8.871 -99.200 -91.000 PHE 72 1.000 9.511 14.754 20.440 -99.200 -91.000 TRP 78 1.040 10.997 11.793 12.501 -99.200 -91.000 TRP6 78 1.020 10.782 11.354 10.178 -99.200 -91.000 HIS 86 0.900 15.175 33.834 20.517 -99.200 -91.000 TYR 109 0.840 5.488 27.443 6.211 -99.200 -91.000 TRP 112 1.040 13.916 30.295 4.440 -99.200 -91.000 TRP6 112 1.020 15.874 29.116 3.830 -99.200 -91.000 TRP 119 1.040 17.148 26.545 12.043 -99.200 -91.000 TRP6 119 1.020 16.371 26.608 9.839 -99.200 -91.000 TYR 129 0.840 12.891 24.698 0.016 -99.200 -91.000 HIS 130 0.900 5.838 23.460 3.470 -99.200 -91.000 TRP 142 1.040 8.761 21.467 -7.336 -99.200 -91.000 TRP6 142 1.020 9.280 21.790 -5.047 -99.200 -91.000 TYR 171 0.840 12.878 16.039 -14.168 -99.200 -91.000 PHE 173 1.000 11.975 17.891 -6.187 -99.200 -91.000 PHE 181 1.000 10.561 13.281 -3.134 -99.200 -91.000 PHE 206 1.000 15.618 10.368 -11.454 -99.200 -91.000 TRP 207 1.040 17.524 10.188 -3.605 -99.200 -91.000 TRP6 207 1.020 15.830 11.228 -4.843 -99.200 -91.000