============================================================================= 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 25.958 27.380 0.188 -99.200 -91.000 HIS 4 0.900 14.568 31.607 2.648 -99.200 -91.000 PHE 5 1.000 21.381 33.624 7.342 -99.200 -91.000 HIS 9 0.900 10.648 46.679 8.401 -99.200 -91.000 HIS 13 0.900 14.304 52.343 10.672 -99.200 -91.000 TRP 16 1.040 14.092 51.462 4.005 -99.200 -91.000 TRP6 16 1.020 15.508 52.636 5.497 -99.200 -91.000 TRP 18 1.040 17.005 43.940 7.001 -99.200 -91.000 TRP6 18 1.020 18.332 43.364 8.872 -99.200 -91.000 HIS 19 0.900 21.672 49.959 1.377 -99.200 -91.000 HIS 30 0.900 24.486 31.812 4.090 -99.200 -91.000 PHE 53 1.000 5.533 45.027 17.210 -99.200 -91.000 TYR 56 0.840 5.348 46.420 12.291 -99.200 -91.000 PHE 63 1.000 9.468 34.220 3.293 -99.200 -91.000 TYR 92 0.840 3.278 30.245 10.098 -99.200 -91.000 PHE 101 1.000 15.753 37.380 19.452 -99.200 -91.000 HIS 102 0.900 21.327 44.380 13.658 -99.200 -91.000 HIS 111 0.900 8.786 39.026 33.410 -99.200 -91.000 TYR 115 0.840 9.555 42.306 32.103 -99.200 -91.000 PHE 124 1.000 17.074 56.958 23.775 -99.200 -91.000 TRP 127 1.040 11.930 57.418 22.463 -99.200 -91.000 TRP6 127 1.020 11.388 55.774 20.855 -99.200 -91.000 TYR 132 0.840 6.213 60.358 20.594 -99.200 -91.000 PHE 133 1.000 0.723 59.176 13.943 -99.200 -91.000 TYR 135 0.840 -3.142 54.287 14.421 -99.200 -91.000 PHE 149 1.000 14.014 63.926 8.904 -99.200 -91.000 TYR 157 0.840 19.907 55.198 10.332 -99.200 -91.000 TYR 165 0.840 20.769 61.779 9.083 -99.200 -91.000 PHE 178 1.000 0.937 48.724 16.059 -99.200 -91.000 PHE 187 1.000 1.909 37.044 30.210 -99.200 -91.000 PHE 188 1.000 5.320 37.505 22.210 -99.200 -91.000 TYR 193 0.840 10.180 34.358 21.900 -99.200 -91.000 TYR 200 0.840 20.594 40.545 23.013 -99.200 -91.000 TRP 202 1.040 25.531 42.730 23.338 -99.200 -91.000 TRP6 202 1.020 26.023 44.417 24.923 -99.200 -91.000 PHE 209 1.000 16.634 48.734 21.151 -99.200 -91.000 PHE 213 1.000 16.078 47.255 26.266 -99.200 -91.000 TRP 216 1.040 16.276 44.440 32.772 -99.200 -91.000 TRP6 216 1.020 14.497 44.098 31.246 -99.200 -91.000 TYR 221 0.840 13.394 34.054 26.924 -99.200 -91.000 TYR 227 0.840 27.893 34.752 17.681 -99.200 -91.000 HIS 234 0.900 19.382 50.452 17.317 -99.200 -91.000 TYR 255 0.840 22.024 27.401 17.027 -99.200 -91.000