============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 19 1.000 10.109 132.977 6.481 -99.200 -91.000 TRP 32 1.040 9.623 135.316 10.325 -99.200 -91.000 TRP6 32 1.020 11.445 134.158 11.296 -99.200 -91.000 HIS 44 0.900 8.175 140.567 -7.460 -99.200 -91.000 HIS 55 0.900 13.471 143.522 10.260 -99.200 -91.000 TYR 60 0.840 15.208 137.469 16.651 -99.200 -91.000 PHE 66 1.000 20.810 131.882 12.339 -99.200 -91.000 TYR 87 0.840 3.359 123.816 -13.728 -99.200 -91.000 TRP 91 1.040 9.107 130.016 -8.387 -99.200 -91.000 TRP6 91 1.020 9.867 128.997 -6.350 -99.200 -91.000 PHE 109 1.000 17.580 126.734 0.688 -99.200 -91.000 TRP 124 1.040 13.434 116.214 15.840 -99.200 -91.000 TRP6 124 1.020 14.388 118.264 15.136 -99.200 -91.000 PHE 136 1.000 2.838 113.512 6.795 -99.200 -91.000 HIS 155 0.900 16.189 112.543 -0.226 -99.200 -91.000 HIS 166 0.900 1.293 109.632 -8.669 -99.200 -91.000 PHE 174 1.000 -11.955 105.893 -10.620 -99.200 -91.000 HIS 199 0.900 -16.434 103.354 -10.875 -99.200 -91.000 PHE 204 1.000 -26.749 102.891 -2.045 -99.200 -91.000 PHE 226 1.000 -13.801 110.669 4.869 -99.200 -91.000 PHE 228 1.000 -23.742 114.480 2.327 -99.200 -91.000 HIS 234 0.900 -27.960 102.098 5.488 -99.200 -91.000 PHE 235 1.000 -22.897 105.879 -2.914 -99.200 -91.000 PHE 244 1.000 -9.882 96.707 -0.661 -99.200 -91.000 TYR 245 0.840 -9.316 101.309 -3.944 -99.200 -91.000 PHE 274 1.000 -16.718 107.957 9.911 -99.200 -91.000 TYR 282 0.840 -10.854 97.704 4.564 -99.200 -91.000 PHE 283 1.000 -0.696 98.417 9.292 -99.200 -91.000 PHE 286 1.000 -5.920 94.663 2.428 -99.200 -91.000 PHE 288 1.000 4.850 90.073 7.962 -99.200 -91.000 PHE 318 1.000 23.614 122.078 4.665 -99.200 -91.000