============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 35 1.040 9.211 6.089 12.412 -99.200 -91.000 TRP6 35 1.020 8.727 7.199 14.441 -99.200 -91.000 TYR 36 0.840 15.905 9.722 9.343 -99.200 -91.000 TYR 53 0.840 7.711 -1.178 2.079 -99.200 -91.000 TYR 55 0.840 18.980 1.969 4.624 -99.200 -91.000 PHE 62 1.000 15.326 -0.900 15.801 -99.200 -91.000 PHE 71 1.000 2.605 8.699 9.555 -99.200 -91.000 PHE 83 1.000 18.474 0.999 26.721 -99.200 -91.000 TYR 86 0.840 15.248 4.841 18.642 -99.200 -91.000 PHE 87 1.000 15.822 13.269 16.456 -99.200 -91.000 TYR 91 0.840 9.858 10.226 2.633 -99.200 -91.000 TYR 94 0.840 10.179 19.535 -1.440 -99.200 -91.000 PHE 96 1.000 11.656 16.467 1.620 -99.200 -91.000 PHE 98 1.000 14.671 15.665 9.735 -99.200 -91.000 PHE 116 1.000 30.680 15.154 46.555 -99.200 -91.000 PHE 118 1.000 33.617 21.156 44.289 -99.200 -91.000 PHE 139 1.000 21.389 13.092 39.198 -99.200 -91.000 TYR 140 0.840 17.450 5.892 36.371 -99.200 -91.000 TRP 148 1.040 22.558 27.441 42.941 -99.200 -91.000 TRP6 148 1.020 24.550 27.104 44.135 -99.200 -91.000 TYR 173 0.840 20.646 10.382 33.416 -99.200 -91.000 TYR 186 0.840 31.189 34.695 46.853 -99.200 -91.000 HIS 189 0.900 24.099 38.859 49.040 -99.200 -91.000 TYR 192 0.840 27.050 33.054 48.385 -99.200 -91.000 HIS 198 0.900 17.285 11.481 42.660 -99.200 -91.000 PHE 209 1.000 30.240 28.599 49.960 -99.200 -91.000