============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 4 0.840 -148.380 72.311 47.234 -99.200 -91.000 TYR 7 0.840 -149.605 66.781 34.620 -99.200 -91.000 TRP 12 1.040 -150.658 71.221 37.251 -99.200 -91.000 TRP6 12 1.020 -149.314 70.010 38.776 -99.200 -91.000 TYR 22 0.840 -151.063 70.573 59.896 -99.200 -91.000 TYR 43 0.840 -160.681 62.622 33.912 -99.200 -91.000 TYR 45 0.840 -156.151 53.713 38.592 -99.200 -91.000 TRP 55 1.040 -145.405 56.491 27.359 -99.200 -91.000 TRP6 55 1.020 -144.138 58.481 27.203 -99.200 -91.000 TYR 60 0.840 -137.874 50.641 23.375 -99.200 -91.000 TYR 66 0.840 -141.975 63.670 25.631 -99.200 -91.000 HIS 68 0.900 -131.719 61.176 29.120 -99.200 -91.000 TYR 93 0.840 -131.752 72.880 51.909 -99.200 -91.000 TYR 109 0.840 -127.761 53.406 35.211 -99.200 -91.000 PHE 127 1.000 -137.576 20.909 23.744 -99.200 -91.000 PHE 152 1.000 -141.464 57.870 56.968 -99.200 -91.000 TYR 154 0.840 -134.598 57.476 51.071 -99.200 -91.000 PHE 175 1.000 -145.500 59.705 43.034 -99.200 -91.000 PHE 192 1.000 -142.156 62.340 35.806 -99.200 -91.000 PHE 202 1.000 -145.970 61.741 36.881 -99.200 -91.000 TYR 215 0.840 -162.045 52.679 43.520 -99.200 -91.000 HIS 219 0.900 -160.147 51.131 38.328 -99.200 -91.000 PHE 224 1.000 -145.150 45.785 38.193 -99.200 -91.000 PHE 227 1.000 -146.500 49.392 49.503 -99.200 -91.000 PHE 276 1.000 -127.329 55.251 66.045 -99.200 -91.000 TYR 278 0.840 -135.210 60.322 57.129 -99.200 -91.000 TYR 332 0.840 -142.965 49.942 66.648 -99.200 -91.000 PHE 363 1.000 -131.759 49.854 74.937 -99.200 -91.000 TRP 374 1.040 -136.604 38.685 67.612 -99.200 -91.000 TRP6 374 1.020 -135.212 37.364 66.231 -99.200 -91.000 PHE 378 1.000 -138.599 53.157 58.805 -99.200 -91.000 TYR 402 0.840 -139.085 42.941 59.089 -99.200 -91.000 PHE 409 1.000 -119.141 45.704 58.896 -99.200 -91.000 PHE 413 1.000 -114.161 38.997 49.090 -99.200 -91.000 PHE 417 1.000 -118.365 36.162 47.234 -99.200 -91.000 HIS 429 0.900 -124.063 46.501 50.538 -99.200 -91.000 PHE 441 1.000 -123.594 47.767 42.691 -99.200 -91.000 PHE 443 1.000 -133.801 47.801 47.906 -99.200 -91.000 TYR 458 0.840 -131.199 43.536 38.445 -99.200 -91.000 PHE 471 1.000 -140.164 34.251 10.930 -99.200 -91.000