============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 9 0.840 14.842 61.397 7.255 -99.200 -91.000 TRP 28 1.040 31.130 57.387 27.660 -99.200 -91.000 TRP6 28 1.020 31.219 58.899 29.483 -99.200 -91.000 TRP 34 1.040 20.544 67.141 26.345 -99.200 -91.000 TRP6 34 1.020 19.926 68.318 28.310 -99.200 -91.000 PHE 38 1.000 14.470 61.969 20.724 -99.200 -91.000 PHE 47 1.000 15.748 50.793 19.091 -99.200 -91.000 PHE 59 1.000 12.009 45.568 42.886 -99.200 -91.000 TYR 64 0.840 7.119 54.118 48.281 -99.200 -91.000 PHE 67 1.000 3.138 57.207 45.469 -99.200 -91.000 PHE 71 1.000 5.421 53.259 36.694 -99.200 -91.000 HIS 78 0.900 2.450 60.750 28.251 -99.200 -91.000 PHE 79 1.000 8.491 52.455 29.021 -99.200 -91.000 HIS 83 0.900 8.677 50.676 19.361 -99.200 -91.000 HIS 86 0.900 6.142 40.570 30.366 -99.200 -91.000 TYR 87 0.840 3.322 48.497 31.605 -99.200 -91.000 TYR 88 0.840 8.848 41.487 33.303 -99.200 -91.000 PHE 90 1.000 10.097 42.085 40.170 -99.200 -91.000 TYR 116 0.840 7.546 34.314 46.678 -99.200 -91.000 PHE 121 1.000 13.386 40.619 34.536 -99.200 -91.000 TYR 127 0.840 17.196 47.271 23.966 -99.200 -91.000 PHE 137 1.000 6.562 56.659 32.137 -99.200 -91.000 HIS 140 0.900 8.591 59.529 22.580 -99.200 -91.000 PHE 150 1.000 18.305 53.546 30.035 -99.200 -91.000 HIS 154 0.900 19.620 63.569 41.812 -99.200 -91.000 PHE 157 1.000 23.433 66.251 43.375 -99.200 -91.000 TYR 158 0.840 20.346 70.402 35.129 -99.200 -91.000 PHE 165 1.000 28.735 65.320 39.828 -99.200 -91.000 TYR 167 0.840 30.334 60.783 42.061 -99.200 -91.000 TYR 176 0.840 37.477 56.814 47.801 -99.200 -91.000 PHE 184 1.000 27.880 63.164 32.307 -99.200 -91.000 TYR 185 0.840 24.766 61.590 42.598 -99.200 -91.000 TYR 186 0.840 25.778 58.373 35.124 -99.200 -91.000 PHE 190 1.000 14.116 56.459 32.898 -99.200 -91.000 PHE 191 1.000 18.975 50.645 37.222 -99.200 -91.000 HIS 206 0.900 23.129 40.578 46.031 -99.200 -91.000 TRP 221 1.040 22.813 60.402 48.882 -99.200 -91.000 TRP6 221 1.020 20.671 60.804 49.822 -99.200 -91.000 HIS 222 0.900 21.010 54.100 51.820 -99.200 -91.000 HIS 226 0.900 27.457 50.220 46.753 -99.200 -91.000 TYR 230 0.840 28.329 48.183 36.432 -99.200 -91.000 HIS 234 0.900 31.838 48.224 34.933 -99.200 -91.000 TYR 244 0.840 14.363 60.885 28.260 -99.200 -91.000 TRP 246 1.040 12.199 69.011 36.225 -99.200 -91.000 TRP6 246 1.020 14.490 69.595 36.174 -99.200 -91.000 TRP 253 1.040 9.380 73.136 31.626 -99.200 -91.000 TRP6 253 1.020 7.168 72.535 30.999 -99.200 -91.000 PHE 262 1.000 9.398 58.004 35.229 -99.200 -91.000