============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 2 0.840 26.339 20.006 35.694 -99.200 -91.000 TYR 9 0.840 10.520 6.959 38.277 -99.200 -91.000 TYR 11 0.840 13.731 4.673 30.786 -99.200 -91.000 HIS 17 0.900 -1.944 7.239 36.592 -99.200 -91.000 PHE 18 1.000 3.293 12.375 33.821 -99.200 -91.000 HIS 26 0.900 10.914 14.621 29.703 -99.200 -91.000 HIS 27 0.900 16.993 8.865 32.245 -99.200 -91.000 HIS 30 0.900 13.490 15.441 24.443 -99.200 -91.000 HIS 31 0.900 18.271 15.050 33.074 -99.200 -91.000 TYR 34 0.840 17.698 20.646 28.476 -99.200 -91.000 PHE 48 1.000 31.279 29.871 38.418 -99.200 -91.000 HIS 78 0.900 22.137 17.621 35.368 -99.200 -91.000 HIS 81 0.900 14.414 18.117 31.841 -99.200 -91.000 PHE 84 1.000 8.667 15.950 35.272 -99.200 -91.000 TRP 85 1.040 14.529 12.573 35.307 -99.200 -91.000 TRP6 85 1.020 12.842 12.538 33.658 -99.200 -91.000 PHE 106 1.000 -1.394 27.241 47.472 -99.200 -91.000 PHE 112 1.000 -1.238 22.433 45.180 -99.200 -91.000 PHE 116 1.000 1.358 22.420 39.649 -99.200 -91.000 PHE 124 1.000 1.361 30.781 23.389 -99.200 -91.000 TRP 128 1.040 10.504 23.163 33.640 -99.200 -91.000 TRP6 128 1.020 10.629 20.951 34.459 -99.200 -91.000 TRP 130 1.040 8.856 25.932 38.652 -99.200 -91.000 TRP6 130 1.020 10.412 24.145 38.766 -99.200 -91.000 PHE 161 1.000 13.876 23.750 48.714 -99.200 -91.000 TRP 169 1.040 10.488 22.914 28.200 -99.200 -91.000 TRP6 169 1.020 12.142 23.366 26.567 -99.200 -91.000 HIS 171 0.900 10.935 18.047 26.296 -99.200 -91.000 TYR 173 0.840 2.075 18.859 26.596 -99.200 -91.000 PHE 174 1.000 3.407 15.714 19.232 -99.200 -91.000 PHE 177 1.000 -1.295 12.918 28.477 -99.200 -91.000 TYR 184 0.840 2.161 16.491 31.008 -99.200 -91.000 PHE 188 1.000 2.690 17.008 38.590 -99.200 -91.000 TRP 189 1.040 -3.620 17.364 39.920 -99.200 -91.000 TRP6 189 1.020 -2.097 18.677 41.189 -99.200 -91.000 TRP 194 1.040 0.918 14.540 46.469 -99.200 -91.000 TRP6 194 1.020 1.262 16.882 46.356 -99.200 -91.000 PHE 201 1.000 5.996 22.509 54.256 -99.200 -91.000