============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 13.429 40.142 53.159 -99.200 -91.000 TRP6 14 1.020 14.750 41.960 52.440 -99.200 -91.000 PHE 19 1.000 9.074 28.522 68.462 -99.200 -91.000 TRP 37 1.040 -1.106 44.230 57.560 -99.200 -91.000 TRP6 37 1.020 -2.927 42.710 57.693 -99.200 -91.000 HIS 43 0.900 2.426 24.757 52.394 -99.200 -91.000 TYR 47 0.840 -2.211 19.761 52.921 -99.200 -91.000 TRP 49 1.040 -0.469 15.797 55.366 -99.200 -91.000 TRP6 49 1.020 1.491 17.028 54.846 -99.200 -91.000 PHE 53 1.000 -0.702 24.737 63.379 -99.200 -91.000 HIS 65 0.900 22.814 34.568 61.551 -99.200 -91.000 TYR 70 0.840 14.424 35.492 73.777 -99.200 -91.000 TYR 84 0.840 -7.224 39.086 57.750 -99.200 -91.000 HIS 86 0.900 -7.128 33.911 47.123 -99.200 -91.000 TYR 89 0.840 -4.729 26.623 50.753 -99.200 -91.000 TRP 91 1.040 -8.209 22.892 51.470 -99.200 -91.000 TRP6 91 1.020 -9.316 20.814 51.858 -99.200 -91.000 PHE 110 1.000 9.811 48.619 59.945 -99.200 -91.000 TYR 113 0.840 20.555 43.223 64.346 -99.200 -91.000 HIS 115 0.900 14.118 48.343 56.440 -99.200 -91.000 TYR 132 0.840 16.222 38.262 33.903 -99.200 -91.000 TRP 139 1.040 16.453 30.007 60.660 -99.200 -91.000 TRP6 139 1.020 14.854 31.746 60.458 -99.200 -91.000 TRP 146 1.040 8.227 16.748 52.656 -99.200 -91.000 TRP6 146 1.020 9.683 17.944 51.225 -99.200 -91.000 PHE 184 1.000 8.142 32.286 40.930 -99.200 -91.000 TYR 188 0.840 21.445 26.682 39.773 -99.200 -91.000 PHE 207 1.000 12.595 33.177 43.430 -99.200 -91.000 PHE 213 1.000 14.972 48.067 35.789 -99.200 -91.000 TRP 217 1.040 17.578 43.124 48.454 -99.200 -91.000 TRP6 217 1.020 18.477 41.153 47.450 -99.200 -91.000 TYR 218 0.840 10.698 45.839 44.082 -99.200 -91.000 TRP 225 1.040 3.356 23.134 44.640 -99.200 -91.000 TRP6 225 1.020 3.841 21.546 42.973 -99.200 -91.000 TYR 235 0.840 13.082 22.122 37.118 -99.200 -91.000 PHE 237 1.000 6.289 23.442 40.293 -99.200 -91.000 TYR 238 0.840 10.132 29.069 44.772 -99.200 -91.000 HIS 240 0.900 3.331 35.510 39.240 -99.200 -91.000 PHE 242 1.000 1.531 42.328 39.420 -99.200 -91.000 TRP 247 1.040 -7.006 37.721 49.377 -99.200 -91.000 TRP6 247 1.020 -5.133 37.074 50.654 -99.200 -91.000 PHE 255 1.000 -11.029 48.319 60.529 -99.200 -91.000