============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 2 0.840 21.708 61.325 63.290 -99.200 -91.000 TYR 3 0.840 26.404 60.649 61.720 -99.200 -91.000 PHE 11 1.000 33.471 53.963 54.005 -99.200 -91.000 HIS 29 0.900 31.877 73.188 44.834 -99.200 -91.000 PHE 31 1.000 28.653 75.264 50.277 -99.200 -91.000 PHE 50 1.000 32.543 59.450 49.557 -99.200 -91.000 TYR 68 0.840 33.276 76.283 49.199 -99.200 -91.000 TYR 69 0.840 35.154 75.314 57.994 -99.200 -91.000 PHE 77 1.000 28.233 78.505 53.990 -99.200 -91.000 PHE 80 1.000 28.629 76.200 45.089 -99.200 -91.000 PHE 90 1.000 28.739 65.803 44.552 -99.200 -91.000 TRP 97 1.040 23.233 63.354 50.105 -99.200 -91.000 TRP6 97 1.020 24.277 63.200 47.993 -99.200 -91.000 HIS 139 0.900 13.812 73.417 47.598 -99.200 -91.000 TYR 150 0.840 13.059 51.307 48.073 -99.200 -91.000 TYR 153 0.840 17.958 51.881 45.340 -99.200 -91.000 HIS 159 0.900 20.875 64.451 45.134 -99.200 -91.000 PHE 161 1.000 13.546 63.166 37.011 -99.200 -91.000 TYR 163 0.840 24.846 65.115 35.751 -99.200 -91.000 TRP 166 1.040 24.498 72.226 36.441 -99.200 -91.000 TRP6 166 1.020 26.328 71.062 35.504 -99.200 -91.000 TYR 181 0.840 17.433 60.676 63.215 -99.200 -91.000 TYR 190 0.840 7.531 69.628 53.087 -99.200 -91.000 TYR 203 0.840 2.051 72.820 47.431 -99.200 -91.000 PHE 206 1.000 5.864 57.917 45.341 -99.200 -91.000 TYR 211 0.840 8.242 51.680 39.154 -99.200 -91.000 PHE 215 1.000 11.205 62.914 41.307 -99.200 -91.000 TYR 218 0.840 4.598 62.105 41.380 -99.200 -91.000