============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 30.832 48.459 181.002 -99.200 -91.000 PHE 19 1.000 17.658 52.142 151.806 -99.200 -91.000 TRP 27 1.040 18.900 40.284 153.740 -99.200 -91.000 TRP6 27 1.020 18.229 42.486 154.289 -99.200 -91.000 HIS 29 0.900 18.247 37.772 145.368 -99.200 -91.000 PHE 36 1.000 10.388 35.825 141.110 -99.200 -91.000 PHE 37 1.000 12.072 36.652 148.503 -99.200 -91.000 HIS 47 0.900 14.225 54.466 140.338 -99.200 -91.000 PHE 58 1.000 22.863 45.523 135.468 -99.200 -91.000 PHE 63 1.000 15.345 41.339 142.925 -99.200 -91.000 HIS 80 0.900 -7.310 40.176 145.226 -99.200 -91.000 PHE 101 1.000 8.450 33.789 150.797 -99.200 -91.000 HIS 126 0.900 -0.332 28.404 140.248 -99.200 -91.000 HIS 129 0.900 6.844 22.783 140.712 -99.200 -91.000 TYR 133 0.840 5.155 30.238 152.270 -99.200 -91.000 TYR 135 0.840 7.631 39.264 152.823 -99.200 -91.000 PHE 144 1.000 18.454 47.833 155.759 -99.200 -91.000 PHE 213 1.000 11.796 31.271 169.236 -99.200 -91.000 PHE 219 1.000 17.248 42.047 161.291 -99.200 -91.000 PHE 239 1.000 20.035 39.727 169.271 -99.200 -91.000 PHE 241 1.000 25.907 41.405 165.704 -99.200 -91.000 TRP 249 1.040 23.454 34.003 169.997 -99.200 -91.000 TRP6 249 1.020 23.554 31.952 168.835 -99.200 -91.000 TYR 257 0.840 19.158 22.431 173.405 -99.200 -91.000 PHE 264 1.000 30.492 28.132 176.727 -99.200 -91.000 HIS 282 0.900 40.647 46.059 163.195 -99.200 -91.000 PHE 292 1.000 24.097 60.715 166.695 -99.200 -91.000 PHE 294 1.000 22.127 60.525 162.145 -99.200 -91.000 PHE 306 1.000 32.364 44.412 168.537 -99.200 -91.000 PHE 322 1.000 9.711 47.410 167.429 -99.200 -91.000 HIS 324 0.900 10.154 42.474 171.098 -99.200 -91.000 HIS 354 0.900 26.142 64.055 163.641 -99.200 -91.000 HIS 377 0.900 29.838 66.310 161.582 -99.200 -91.000 TRP 381 1.040 29.610 52.554 153.847 -99.200 -91.000 TRP6 381 1.020 28.953 50.578 152.719 -99.200 -91.000 PHE 387 1.000 23.358 43.254 150.964 -99.200 -91.000 HIS 391 0.900 25.065 38.132 162.597 -99.200 -91.000 PHE 392 1.000 27.295 32.575 165.608 -99.200 -91.000 TYR 393 0.840 33.675 32.729 169.691 -99.200 -91.000 PHE 403 1.000 31.284 49.523 163.288 -99.200 -91.000