============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 1 0.840 123.452 162.661 41.888 -99.200 -91.000 PHE 12 1.000 133.515 148.911 58.175 -99.200 -91.000 HIS 25 0.900 131.386 148.235 53.696 -99.200 -91.000 PHE 26 1.000 125.503 150.107 56.849 -99.200 -91.000 HIS 40 0.900 126.670 140.559 48.671 -99.200 -91.000 TRP 49 1.040 130.443 150.908 44.659 -99.200 -91.000 TRP6 49 1.020 129.327 152.803 45.533 -99.200 -91.000 PHE 52 1.000 122.416 145.247 43.676 -99.200 -91.000 TYR 64 0.840 113.050 155.524 45.541 -99.200 -91.000 TRP 74 1.040 129.954 137.033 49.149 -99.200 -91.000 TRP6 74 1.020 128.665 135.301 50.113 -99.200 -91.000 HIS 107 0.900 110.299 150.780 48.474 -99.200 -91.000 HIS 116 0.900 117.470 132.001 46.482 -99.200 -91.000 PHE 121 1.000 114.076 142.583 56.397 -99.200 -91.000 TRP 125 1.040 111.381 140.619 61.190 -99.200 -91.000 TRP6 125 1.020 113.494 139.794 60.526 -99.200 -91.000 PHE 145 1.000 110.133 122.950 32.208 -99.200 -91.000 TYR 160 0.840 132.812 131.396 46.525 -99.200 -91.000 PHE 175 1.000 127.605 136.557 36.717 -99.200 -91.000 PHE 177 1.000 123.044 136.572 24.535 -99.200 -91.000 PHE 187 1.000 139.531 138.783 35.170 -99.200 -91.000 HIS 200 0.900 134.643 137.617 53.617 -99.200 -91.000 PHE 204 1.000 130.113 130.075 48.387 -99.200 -91.000 PHE 215 1.000 121.228 130.586 48.911 -99.200 -91.000 PHE 218 1.000 112.564 131.263 52.014 -99.200 -91.000 TRP 233 1.040 115.836 134.185 35.989 -99.200 -91.000 TRP6 233 1.020 115.142 133.935 38.237 -99.200 -91.000 PHE 239 1.000 126.829 131.514 36.959 -99.200 -91.000 HIS 258 0.900 110.988 143.339 31.338 -99.200 -91.000 PHE 260 1.000 115.794 143.130 30.634 -99.200 -91.000 HIS 265 0.900 122.639 134.855 38.236 -99.200 -91.000 TRP 266 1.040 125.385 141.684 37.631 -99.200 -91.000 TRP6 266 1.020 127.643 142.400 37.533 -99.200 -91.000 TRP 269 1.040 127.581 144.361 34.066 -99.200 -91.000 TRP6 269 1.020 129.014 145.952 35.071 -99.200 -91.000 HIS 271 0.900 119.728 143.274 28.593 -99.200 -91.000 PHE 275 1.000 117.528 145.909 37.700 -99.200 -91.000 PHE 282 1.000 107.336 146.538 41.488 -99.200 -91.000