============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 12 0.840 26.805 53.188 40.303 -99.200 -91.000 TYR 14 0.840 19.292 48.602 45.802 -99.200 -91.000 TYR 17 0.840 16.552 39.370 40.314 -99.200 -91.000 PHE 20 1.000 6.520 37.365 47.570 -99.200 -91.000 TYR 25 0.840 5.823 39.162 41.522 -99.200 -91.000 TYR 31 0.840 24.632 51.689 44.628 -99.200 -91.000 TRP 45 1.040 10.734 41.867 48.462 -99.200 -91.000 TRP6 45 1.020 9.493 41.502 46.485 -99.200 -91.000 PHE 50 1.000 17.973 43.880 54.781 -99.200 -91.000 PHE 53 1.000 22.476 47.386 48.401 -99.200 -91.000 TYR 58 0.840 35.407 47.442 51.175 -99.200 -91.000 HIS 61 0.900 30.213 52.133 43.793 -99.200 -91.000 HIS 72 0.900 5.926 50.837 49.465 -99.200 -91.000 HIS 74 0.900 3.501 47.264 51.437 -99.200 -91.000 TYR 83 0.840 22.709 45.546 57.070 -99.200 -91.000 PHE 84 1.000 20.690 49.780 54.291 -99.200 -91.000 TYR 92 0.840 17.024 61.313 56.985 -99.200 -91.000 TYR 111 0.840 17.620 61.855 62.460 -99.200 -91.000 PHE 113 1.000 10.732 62.670 54.484 -99.200 -91.000 PHE 119 1.000 16.221 63.638 52.243 -99.200 -91.000 PHE 126 1.000 18.722 62.476 48.017 -99.200 -91.000 TYR 129 0.840 5.088 65.071 44.267 -99.200 -91.000 TYR 130 0.840 1.409 61.402 49.984 -99.200 -91.000 HIS 135 0.900 2.390 49.224 46.563 -99.200 -91.000 TRP 143 1.040 13.340 65.621 40.013 -99.200 -91.000 TRP6 143 1.020 13.345 64.621 37.870 -99.200 -91.000 PHE 144 1.000 18.242 60.327 43.126 -99.200 -91.000 TYR 166 0.840 -0.332 43.681 49.718 -99.200 -91.000 TYR 171 0.840 -6.235 54.289 50.482 -99.200 -91.000 TRP 175 1.040 -1.638 53.447 41.461 -99.200 -91.000 TRP6 175 1.020 -1.568 51.187 42.166 -99.200 -91.000 HIS 180 0.900 -3.531 60.912 35.001 -99.200 -91.000 PHE 186 1.000 8.982 64.854 40.229 -99.200 -91.000 TYR 191 0.840 17.863 56.483 31.774 -99.200 -91.000 HIS 196 0.900 8.010 44.902 43.383 -99.200 -91.000 TRP 199 1.040 15.261 49.282 35.624 -99.200 -91.000 TRP6 199 1.020 16.198 51.155 34.525 -99.200 -91.000 HIS 207 0.900 1.085 47.328 31.551 -99.200 -91.000 TYR 215 0.840 -8.952 46.374 41.151 -99.200 -91.000