============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 17 1.000 13.448 19.232 38.684 -99.200 -91.000 PHE 27 1.000 14.327 6.885 44.018 -99.200 -91.000 HIS 36 0.900 3.808 -16.023 46.939 -99.200 -91.000 TYR 49 0.840 4.678 -2.736 44.471 -99.200 -91.000 TYR 65 0.840 19.923 -3.493 48.006 -99.200 -91.000 TRP 74 1.040 23.678 -2.874 32.273 -99.200 -91.000 TRP6 74 1.020 24.154 -0.581 32.527 -99.200 -91.000 TRP 81 1.040 18.914 5.791 35.525 -99.200 -91.000 TRP6 81 1.020 20.357 4.506 34.167 -99.200 -91.000 HIS 82 0.900 9.118 4.453 33.278 -99.200 -91.000 HIS 83 0.900 9.805 5.094 41.452 -99.200 -91.000 PHE 85 1.000 14.908 10.249 33.541 -99.200 -91.000 TYR 86 0.840 8.444 8.879 32.152 -99.200 -91.000 HIS 96 0.900 13.345 18.501 31.998 -99.200 -91.000 PHE 119 1.000 22.425 10.784 24.104 -99.200 -91.000 PHE 122 1.000 14.779 5.889 30.741 -99.200 -91.000 TYR 128 0.840 30.161 15.602 31.647 -99.200 -91.000 TYR 138 0.840 34.911 19.497 39.459 -99.200 -91.000 HIS 156 0.900 35.409 3.676 44.913 -99.200 -91.000 TYR 161 0.840 48.097 18.435 38.933 -99.200 -91.000 TYR 164 0.840 43.249 13.124 33.883 -99.200 -91.000 HIS 168 0.900 48.506 7.108 39.132 -99.200 -91.000 TYR 183 0.840 31.003 -4.179 64.542 -99.200 -91.000 TYR 193 0.840 19.735 -2.940 74.215 -99.200 -91.000 PHE 195 1.000 18.156 -4.310 67.801 -99.200 -91.000 TYR 213 0.840 31.137 9.037 70.286 -99.200 -91.000 PHE 218 1.000 37.819 1.216 69.834 -99.200 -91.000 TYR 235 0.840 16.455 5.240 68.458 -99.200 -91.000 PHE 250 1.000 33.465 4.332 72.136 -99.200 -91.000 PHE 257 1.000 38.986 6.195 61.294 -99.200 -91.000 PHE 261 1.000 36.889 -2.744 66.038 -99.200 -91.000 HIS 270 0.900 44.001 4.460 59.725 -99.200 -91.000 TYR 274 0.840 51.205 7.405 54.170 -99.200 -91.000 TYR 289 0.840 50.059 14.129 53.026 -99.200 -91.000 TYR 301 0.840 29.261 6.960 61.334 -99.200 -91.000 TYR 332 0.840 21.110 14.644 50.685 -99.200 -91.000 TRP 335 1.040 21.438 15.756 43.097 -99.200 -91.000 TRP6 335 1.020 20.914 18.048 43.334 -99.200 -91.000 PHE 347 1.000 28.774 20.268 32.248 -99.200 -91.000 TRP 351 1.040 24.880 20.071 28.939 -99.200 -91.000 TRP6 351 1.020 24.150 18.592 30.649 -99.200 -91.000 TYR 357 0.840 23.887 7.277 21.290 -99.200 -91.000