============================================================================= 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 89.545 -17.436 13.435 -99.200 -91.000 TYR 31 0.840 71.855 -18.723 10.860 -99.200 -91.000 TYR 36 0.840 74.696 -21.529 16.615 -99.200 -91.000 TYR 37 0.840 76.518 -19.160 24.141 -99.200 -91.000 PHE 38 1.000 81.210 -17.812 17.616 -99.200 -91.000 TRP 40 1.040 88.587 -14.700 19.921 -99.200 -91.000 TRP6 40 1.020 86.265 -14.377 19.633 -99.200 -91.000 TYR 42 0.840 95.159 -15.334 29.650 -99.200 -91.000 PHE 57 1.000 83.265 -10.343 29.373 -99.200 -91.000 PHE 66 1.000 69.667 -6.447 31.085 -99.200 -91.000 TYR 89 0.840 55.005 8.270 38.785 -99.200 -91.000 TRP 90 1.040 62.131 13.056 44.298 -99.200 -91.000 TRP6 90 1.020 64.160 13.348 43.117 -99.200 -91.000 TRP 98 1.040 62.675 19.378 37.853 -99.200 -91.000 TRP6 98 1.020 63.537 17.484 36.728 -99.200 -91.000 HIS 105 0.900 58.892 15.263 28.153 -99.200 -91.000 TYR 109 0.840 68.745 8.556 26.579 -99.200 -91.000 PHE 131 1.000 72.367 16.967 38.741 -99.200 -91.000 TYR 132 0.840 68.086 14.516 38.917 -99.200 -91.000 TRP 135 1.040 68.958 20.255 34.338 -99.200 -91.000 TRP6 135 1.020 66.766 19.991 33.486 -99.200 -91.000 TRP 139 1.040 68.225 22.854 23.732 -99.200 -91.000 TRP6 139 1.020 69.716 21.154 24.419 -99.200 -91.000 TYR 147 0.840 73.573 7.857 26.000 -99.200 -91.000 PHE 155 1.000 61.512 5.272 32.828 -99.200 -91.000 PHE 167 1.000 67.001 0.038 38.604 -99.200 -91.000 PHE 176 1.000 69.022 -8.615 36.254 -99.200 -91.000 HIS 183 0.900 75.387 -18.169 36.508 -99.200 -91.000 TRP 185 1.040 74.387 -11.820 40.456 -99.200 -91.000 TRP6 185 1.020 72.937 -11.965 42.317 -99.200 -91.000 TYR 196 0.840 82.951 -7.749 38.501 -99.200 -91.000 TRP 198 1.040 90.229 -8.158 38.343 -99.200 -91.000 TRP6 198 1.020 89.934 -6.275 39.744 -99.200 -91.000 TYR 200 0.840 92.961 -6.249 32.557 -99.200 -91.000 HIS 207 0.900 86.056 -5.676 39.153 -99.200 -91.000 TYR 218 0.840 77.210 4.137 35.696 -99.200 -91.000 TRP 230 1.040 68.852 -8.028 27.491 -99.200 -91.000 TRP6 230 1.020 66.840 -7.690 28.691 -99.200 -91.000 TYR 256 0.840 58.044 5.085 23.616 -99.200 -91.000 TRP 257 1.040 60.904 11.135 22.126 -99.200 -91.000 TRP6 257 1.020 59.677 13.156 22.098 -99.200 -91.000 TYR 263 0.840 62.278 5.551 13.415 -99.200 -91.000 TRP 268 1.040 66.125 -2.839 23.813 -99.200 -91.000 TRP6 268 1.020 68.199 -3.918 23.448 -99.200 -91.000 TRP 273 1.040 67.237 -5.785 7.745 -99.200 -91.000 TRP6 273 1.020 69.570 -5.712 8.118 -99.200 -91.000 TRP 309 1.040 71.363 -2.436 13.874 -99.200 -91.000 TRP6 309 1.020 72.705 -4.125 12.906 -99.200 -91.000 HIS 311 0.900 72.282 0.419 17.300 -99.200 -91.000 PHE 319 1.000 84.646 -5.133 32.218 -99.200 -91.000 TYR 322 0.840 76.537 -2.776 18.655 -99.200 -91.000 PHE 325 1.000 66.962 -6.941 19.593 -99.200 -91.000 TYR 341 0.840 86.019 -2.799 21.174 -99.200 -91.000 TRP 351 1.040 77.223 -3.885 7.849 -99.200 -91.000 TRP6 351 1.020 74.900 -3.865 7.434 -99.200 -91.000