============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. PHE 2 1.000 51.175 29.082 -13.266 -99.200 -91.000 PHE 6 1.000 55.434 24.199 -13.639 -99.200 -91.000 TYR 17 0.840 58.917 16.750 -19.183 -99.200 -91.000 HIS 18 0.900 59.238 19.334 -23.522 -99.200 -91.000 TYR 20 0.840 66.422 10.906 -24.777 -99.200 -91.000 TYR 26 0.840 56.031 -0.761 -10.837 -99.200 -91.000 PHE 28 1.000 57.871 2.855 -6.354 -99.200 -91.000 HIS 29 0.900 52.814 3.307 -0.845 -99.200 -91.000 HIS 31 0.900 47.923 4.956 0.648 -99.200 -91.000 PHE 43 1.000 35.920 9.698 -10.289 -99.200 -91.000 TRP 50 1.040 40.786 18.902 -8.771 -99.200 -91.000 TRP6 50 1.020 40.290 21.149 -9.252 -99.200 -91.000 HIS 55 0.900 42.391 13.241 3.267 -99.200 -91.000 TYR 56 0.840 48.937 17.000 0.054 -99.200 -91.000 TRP 58 1.040 38.930 18.012 2.274 -99.200 -91.000 TRP6 58 1.020 38.521 15.881 3.206 -99.200 -91.000 TYR 79 0.840 28.771 25.520 -9.087 -99.200 -91.000 TYR 82 0.840 34.471 24.034 -9.335 -99.200 -91.000 TRP 84 1.040 40.046 23.855 -5.043 -99.200 -91.000 TRP6 84 1.020 41.860 24.199 -3.578 -99.200 -91.000 TYR 97 0.840 48.082 29.431 -8.647 -99.200 -91.000 HIS 98 0.900 54.002 25.047 -8.780 -99.200 -91.000 TRP 99 1.040 50.410 19.136 -6.498 -99.200 -91.000 TRP6 99 1.020 50.094 19.136 -4.150 -99.200 -91.000 HIS 101 0.900 46.467 26.955 -11.998 -99.200 -91.000 PHE 108 1.000 39.491 16.942 -15.824 -99.200 -91.000 PHE 115 1.000 39.570 26.277 -9.902 -99.200 -91.000 TRP 124 1.040 30.207 22.693 -12.428 -99.200 -91.000 TRP6 124 1.020 30.527 21.441 -10.448 -99.200 -91.000 PHE 136 1.000 38.699 13.303 -20.013 -99.200 -91.000 TYR 159 0.840 36.004 -4.846 -5.126 -99.200 -91.000 HIS 160 0.900 43.994 -5.754 -5.201 -99.200 -91.000 TRP 177 1.040 51.967 -7.947 4.729 -99.200 -91.000 TRP6 177 1.020 50.360 -9.573 5.253 -99.200 -91.000 PHE 183 1.000 53.867 -2.219 12.386 -99.200 -91.000 PHE 190 1.000 47.238 -6.516 19.010 -99.200 -91.000 TYR 193 0.840 44.230 -6.074 11.964 -99.200 -91.000 PHE 208 1.000 55.380 -13.288 17.883 -99.200 -91.000 HIS 221 0.900 43.797 -14.105 -0.297 -99.200 -91.000 PHE 222 1.000 47.542 -8.971 1.209 -99.200 -91.000 HIS 232 0.900 56.187 -3.051 6.889 -99.200 -91.000 PHE 239 1.000 66.370 -3.525 18.296 -99.200 -91.000 PHE 269 1.000 52.927 -8.296 19.460 -99.200 -91.000 TRP 276 1.040 57.590 -14.636 11.465 -99.200 -91.000 TRP6 276 1.020 55.717 -14.249 10.084 -99.200 -91.000 TYR 281 0.840 57.476 -7.973 4.613 -99.200 -91.000 TRP 286 1.040 56.391 -10.577 -1.491 -99.200 -91.000 TRP6 286 1.020 54.528 -10.458 -0.047 -99.200 -91.000 HIS 290 0.900 55.840 4.900 3.009 -99.200 -91.000 PHE 301 1.000 40.054 10.082 16.093 -99.200 -91.000 PHE 310 1.000 41.575 18.084 11.179 -99.200 -91.000 TRP 320 1.040 70.347 2.289 19.453 -99.200 -91.000 TRP6 320 1.020 68.445 1.356 20.507 -99.200 -91.000 TYR 340 0.840 59.074 5.604 0.720 -99.200 -91.000 PHE 356 1.000 71.961