============================================================================= 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 -148.201 72.506 47.616 -99.200 -91.000 TYR 7 0.840 -149.573 66.954 34.935 -99.200 -91.000 TRP 12 1.040 -150.592 71.401 37.409 -99.200 -91.000 TRP6 12 1.020 -149.288 70.072 38.861 -99.200 -91.000 TYR 22 0.840 -151.130 70.769 60.270 -99.200 -91.000 TYR 43 0.840 -160.679 62.631 34.081 -99.200 -91.000 TYR 45 0.840 -156.150 53.818 38.843 -99.200 -91.000 TRP 55 1.040 -145.299 56.600 27.603 -99.200 -91.000 TRP6 55 1.020 -144.072 58.621 27.435 -99.200 -91.000 TYR 60 0.840 -137.746 50.767 23.681 -99.200 -91.000 TYR 66 0.840 -141.938 63.661 25.896 -99.200 -91.000 HIS 68 0.900 -131.669 61.361 29.363 -99.200 -91.000 TYR 93 0.840 -131.531 72.981 52.133 -99.200 -91.000 TYR 109 0.840 -127.595 53.382 35.334 -99.200 -91.000 PHE 127 1.000 -137.556 20.950 23.800 -99.200 -91.000 PHE 152 1.000 -141.436 57.977 57.217 -99.200 -91.000 TYR 154 0.840 -134.514 57.488 51.180 -99.200 -91.000 PHE 175 1.000 -145.513 59.786 43.277 -99.200 -91.000 PHE 192 1.000 -142.105 62.460 36.093 -99.200 -91.000 PHE 202 1.000 -146.100 61.855 37.037 -99.200 -91.000 TYR 215 0.840 -162.027 52.783 43.794 -99.200 -91.000 HIS 219 0.900 -160.071 51.247 38.702 -99.200 -91.000 PHE 224 1.000 -145.011 45.724 38.443 -99.200 -91.000 PHE 227 1.000 -146.493 49.465 49.814 -99.200 -91.000 PHE 276 1.000 -127.321 55.339 66.368 -99.200 -91.000 TYR 278 0.840 -135.342 60.405 57.378 -99.200 -91.000 TYR 332 0.840 -143.045 49.999 66.977 -99.200 -91.000 PHE 363 1.000 -131.766 49.967 75.371 -99.200 -91.000 TRP 374 1.040 -136.467 38.711 68.040 -99.200 -91.000 TRP6 374 1.020 -135.090 37.403 66.625 -99.200 -91.000 PHE 378 1.000 -138.538 53.077 58.952 -99.200 -91.000 TYR 402 0.840 -139.051 42.947 59.419 -99.200 -91.000 PHE 409 1.000 -119.144 45.841 59.237 -99.200 -91.000 PHE 413 1.000 -113.612 40.741 51.143 -99.200 -91.000 PHE 417 1.000 -118.286 36.371 47.502 -99.200 -91.000 HIS 429 0.900 -124.080 46.597 50.738 -99.200 -91.000 PHE 441 1.000 -123.603 47.846 42.887 -99.200 -91.000 PHE 443 1.000 -133.655 47.887 48.256 -99.200 -91.000 TYR 458 0.840 -131.127 43.667 38.632 -99.200 -91.000 PHE 471 1.000 -140.174 34.330 11.120 -99.200 -91.000