============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 83 rings ring int. center anis. iso. HIS 11 0.900 3.875 51.397 18.568 -99.200 -91.000 TRP 12 1.040 7.032 51.424 28.068 -99.200 -91.000 TRP6 12 1.020 7.984 53.210 29.287 -99.200 -91.000 PHE 54 1.000 29.999 49.409 39.783 -99.200 -91.000 HIS 60 0.900 18.762 41.801 38.923 -99.200 -91.000 PHE 61 1.000 25.617 43.211 32.759 -99.200 -91.000 PHE 78 1.000 1.522 34.682 27.157 -99.200 -91.000 TYR 80 0.840 -10.205 32.959 22.202 -99.200 -91.000 PHE 81 1.000 -9.956 24.177 23.384 -99.200 -91.000 HIS 85 0.900 -17.429 20.861 16.248 -99.200 -91.000 TYR 90 0.840 -15.325 10.182 21.630 -99.200 -91.000 PHE 96 1.000 -11.087 18.582 25.935 -99.200 -91.000 HIS 98 0.900 -19.795 25.684 28.652 -99.200 -91.000 PHE 109 1.000 3.772 28.938 17.710 -99.200 -91.000 PHE 128 1.000 1.199 25.115 17.810 -99.200 -91.000 PHE 132 1.000 -5.042 23.473 26.039 -99.200 -91.000 TYR 133 0.840 -2.224 29.774 32.000 -99.200 -91.000 TRP 139 1.040 -3.932 19.031 28.813 -99.200 -91.000 TRP6 139 1.020 -5.445 19.361 27.033 -99.200 -91.000 PHE 149 1.000 11.643 12.941 18.730 -99.200 -91.000 PHE 150 1.000 14.076 13.181 14.238 -99.200 -91.000 PHE 157 1.000 14.890 13.843 23.810 -99.200 -91.000 PHE 160 1.000 17.235 12.780 17.589 -99.200 -91.000 HIS 162 0.900 24.627 13.941 24.819 -99.200 -91.000 HIS 171 0.900 30.563 24.439 21.545 -99.200 -91.000 TRP 179 1.040 23.274 12.073 7.963 -99.200 -91.000 TRP6 179 1.020 21.143 11.238 7.390 -99.200 -91.000 PHE 181 1.000 20.561 8.105 17.695 -99.200 -91.000 TRP 182 1.040 18.590 10.602 12.578 -99.200 -91.000 TRP6 182 1.020 18.681 12.645 11.392 -99.200 -91.000 HIS 190 0.900 6.379 7.643 9.345 -99.200 -91.000 PHE 194 1.000 6.526 16.182 8.774 -99.200 -91.000 PHE 196 1.000 17.374 15.739 6.181 -99.200 -91.000 HIS 205 0.900 7.596 29.939 15.298 -99.200 -91.000 HIS 207 0.900 1.316 31.016 6.947 -99.200 -91.000 TYR 211 0.840 0.518 17.039 13.214 -99.200 -91.000 HIS 214 0.900 4.551 11.255 23.190 -99.200 -91.000 PHE 216 1.000 -0.920 12.914 25.087 -99.200 -91.000 TYR 227 0.840 -5.205 3.476 24.909 -99.200 -91.000 PHE 230 1.000 -5.093 15.417 23.232 -99.200 -91.000 HIS 231 0.900 -4.133 14.652 14.623 -99.200 -91.000 TYR 232 0.840 -1.678 21.640 18.583 -99.200 -91.000 TYR 256 0.840 10.492 34.873 8.213 -99.200 -91.000 PHE 262 1.000 5.563 42.463 19.304 -99.200 -91.000 TYR 270 0.840 -5.823 39.525 17.415 -99.200 -91.000 TRP 273 1.040 -2.255 26.402 14.570 -99.200 -91.000 TRP6 273 1.020 -1.488 28.499 15.358 -99.200 -91.000 PHE 275 1.000 -6.947 20.571 20.703 -99.200 -91.000 TYR 276 0.840 -9.903 19.161 12.905 -99.200 -91.000 PHE 282 1.000 -8.439 1.259 26.852 -99.200 -91.000 PHE 288 1.000 -2.429 1.113 14.406 -99.200 -91.000 PHE 290 1.000 2.316 -0.600 11.105 -99.200 -91.000 PHE 293 1.000 -0.728 1.968 23.620 -99.200 -91.000 TRP 299 1.040 -3.360 5.993 16.257 -99.200 -91.000 TRP6 299 1.020