============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 90.361 -17.547 13.284 -99.200 -91.000 TYR 31 0.840 72.575 -18.869 10.789 -99.200 -91.000 TYR 36 0.840 75.473 -21.769 16.528 -99.200 -91.000 TYR 37 0.840 77.325 -19.295 23.985 -99.200 -91.000 PHE 38 1.000 82.169 -18.116 17.457 -99.200 -91.000 TRP 40 1.040 89.451 -14.713 19.860 -99.200 -91.000 TRP6 40 1.020 87.093 -14.448 19.570 -99.200 -91.000 TYR 42 0.840 95.992 -15.211 29.463 -99.200 -91.000 PHE 57 1.000 84.026 -10.394 29.175 -99.200 -91.000 PHE 66 1.000 70.430 -6.608 31.016 -99.200 -91.000 TYR 89 0.840 55.759 8.045 38.822 -99.200 -91.000 TRP 90 1.040 62.968 12.946 44.246 -99.200 -91.000 TRP6 90 1.020 65.011 13.301 43.084 -99.200 -91.000 TRP 98 1.040 63.460 19.282 37.832 -99.200 -91.000 TRP6 98 1.020 64.312 17.378 36.661 -99.200 -91.000 HIS 105 0.900 59.613 15.133 28.148 -99.200 -91.000 TYR 109 0.840 69.445 8.450 26.414 -99.200 -91.000 PHE 131 1.000 73.096 17.010 38.725 -99.200 -91.000 TYR 132 0.840 68.876 14.408 38.824 -99.200 -91.000 TRP 135 1.040 69.732 20.110 34.309 -99.200 -91.000 TRP6 135 1.020 67.505 19.898 33.516 -99.200 -91.000 TRP 139 1.040 68.920 22.655 23.726 -99.200 -91.000 TRP6 139 1.020 70.418 20.935 24.381 -99.200 -91.000 TYR 147 0.840 74.374 7.769 26.154 -99.200 -91.000 PHE 155 1.000 62.298 5.070 32.729 -99.200 -91.000 PHE 167 1.000 67.733 -0.084 38.443 -99.200 -91.000 PHE 176 1.000 69.876 -8.639 36.206 -99.200 -91.000 HIS 183 0.900 76.229 -18.314 36.407 -99.200 -91.000 TRP 185 1.040 75.342 -11.782 40.322 -99.200 -91.000 TRP6 185 1.020 73.946 -11.852 42.245 -99.200 -91.000 TYR 196 0.840 83.724 -7.656 38.229 -99.200 -91.000 TRP 198 1.040 91.165 -8.182 37.986 -99.200 -91.000 TRP6 198 1.020 90.635 -6.389 39.427 -99.200 -91.000 TYR 200 0.840 93.679 -6.282 32.368 -99.200 -91.000 HIS 207 0.900 86.870 -5.534 38.939 -99.200 -91.000 TYR 218 0.840 77.930 4.237 35.629 -99.200 -91.000 TRP 230 1.040 69.615 -8.050 27.396 -99.200 -91.000 TRP6 230 1.020 67.596 -7.725 28.608 -99.200 -91.000 TYR 256 0.840 58.753 5.017 23.557 -99.200 -91.000 TRP 257 1.040 61.635 11.019 22.010 -99.200 -91.000 TRP6 257 1.020 60.428 13.053 21.987 -99.200 -91.000 TYR 263 0.840 62.921 5.380 13.369 -99.200 -91.000 TRP 268 1.040 66.852 -3.007 23.663 -99.200 -91.000 TRP6 268 1.020 68.972 -4.009 23.264 -99.200 -91.000 TRP 273 1.040 67.703 -5.952 7.499 -99.200 -91.000 TRP6 273 1.020 70.045 -5.876 7.827 -99.200 -91.000 TRP 309 1.040 72.095 -2.475 13.776 -99.200 -91.000 TRP6 309 1.020 73.392 -4.220 12.827 -99.200 -91.000 HIS 311 0.900 73.088 0.344 17.101 -99.200 -91.000 PHE 319 1.000 85.419 -5.112 32.096 -99.200 -91.000 TYR 322 0.840 77.320 -2.921 18.413 -99.200 -91.000 PHE 325 1.000 67.791 -7.067 19.554 -99.200 -91.000 TYR 341 0.840 86.756 -2.944 20.991 -99.200 -91.000 TRP 351 1.040 77.849 -4.069 7.554 -99.200 -91.000 TRP6 351 1.020