============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 2 0.840 27.246 179.842 77.011 -99.200 -91.000 TYR 9 0.840 34.923 184.397 61.066 -99.200 -91.000 HIS 15 0.900 37.588 185.296 49.117 -99.200 -91.000 HIS 17 0.900 39.860 188.372 49.457 -99.200 -91.000 TRP 18 1.040 42.587 180.309 51.528 -99.200 -91.000 TRP6 18 1.020 43.188 180.727 53.786 -99.200 -91.000 PHE 28 1.000 48.152 167.448 53.280 -99.200 -91.000 TYR 32 0.840 59.315 162.780 66.605 -99.200 -91.000 HIS 42 0.900 58.961 158.757 78.124 -99.200 -91.000 PHE 50 1.000 44.340 159.256 72.617 -99.200 -91.000 HIS 64 0.900 51.192 147.208 77.237 -99.200 -91.000 TYR 69 0.840 52.995 155.811 71.443 -99.200 -91.000 TYR 71 0.840 56.534 151.256 61.810 -99.200 -91.000 TRP 78 1.040 63.981 158.662 59.826 -99.200 -91.000 TRP6 78 1.020 65.103 160.726 59.510 -99.200 -91.000 PHE 84 1.000 53.287 165.277 53.983 -99.200 -91.000 PHE 94 1.000 49.785 170.819 65.513 -99.200 -91.000 HIS 113 0.900 58.402 169.605 56.086 -99.200 -91.000 HIS 118 0.900 51.060 167.649 70.306 -99.200 -91.000 TYR 120 0.840 59.215 168.570 79.454 -99.200 -91.000 TRP 122 1.040 50.579 163.206 72.840 -99.200 -91.000 TRP6 122 1.020 49.713 160.997 72.747 -99.200 -91.000 TYR 125 0.840 50.118 169.338 79.778 -99.200 -91.000 TYR 127 0.840 40.748 166.069 85.963 -99.200 -91.000 HIS 135 0.900 54.961 169.754 82.305 -99.200 -91.000 TRP 153 1.040 50.528 175.254 73.321 -99.200 -91.000 TRP6 153 1.020 52.553 174.966 74.512 -99.200 -91.000 TYR 154 0.840 46.639 170.104 68.943 -99.200 -91.000 PHE 171 1.000 53.627 179.765 72.155 -99.200 -91.000 TYR 173 0.840 50.018 178.552 64.641 -99.200 -91.000 TYR 178 0.840 40.044 170.016 68.516 -99.200 -91.000 TYR 184 0.840 38.164 181.565 66.340 -99.200 -91.000 TRP 185 1.040 42.072 188.510 64.099 -99.200 -91.000 TRP6 185 1.020 44.421 188.235 64.253 -99.200 -91.000 HIS 195 0.900 46.805 183.286 70.499 -99.200 -91.000 TYR 200 0.840 45.160 169.084 64.591 -99.200 -91.000 PHE 208 1.000 43.951 155.074 58.776 -99.200 -91.000 PHE 214 1.000 39.057 157.551 58.594 -99.200 -91.000 PHE 220 1.000 43.279 159.575 56.492 -99.200 -91.000 PHE 221 1.000 41.411 159.256 47.455 -99.200 -91.000 TYR 223 0.840 35.959 161.850 57.199 -99.200 -91.000 PHE 228 1.000 40.604 169.388 46.960 -99.200 -91.000 TYR 232 0.840 38.880 173.189 43.822 -99.200 -91.000 HIS 246 0.900 48.434 161.396 65.339 -99.200 -91.000 PHE 261 1.000 43.317 164.996 50.463 -99.200 -91.000 TYR 264 0.840 40.534 164.387 44.356 -99.200 -91.000 HIS 268 0.900 40.980 168.718 42.354 -99.200 -91.000 TRP 272 1.040 48.937 178.902 50.220 -99.200 -91.000 TRP6 272 1.020 48.429 179.945 52.284 -99.200 -91.000 PHE 273 1.000 48.789 170.993 48.197 -99.200 -91.000 HIS 282 0.900 46.677 185.315 53.340 -99.200 -91.000 TRP 283 1.040 42.739 185.892 59.706 -99.200 -91.000 TRP6 283 1.020 41.569 184.712 58.010 -99.200 -91.000 HIS 284 0.900 49.155 188.041 63.039 -99.200 -91.000 HIS 287 0.900 40.376 188.940 56.115 -99.200 -91.000 PHE 289 1.000 41.469 192.284 67.884 -99.200 -91.000