============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 4 1.000 -2.620 2.359 2.983 -99.200 -91.000 PHE 11 1.000 -6.760 4.840 12.338 -99.200 -91.000 PHE 13 1.000 -12.147 1.124 3.954 -99.200 -91.000 TRP 34 1.040 -21.609 6.957 3.723 -99.200 -91.000 TRP6 34 1.020 -20.892 8.690 5.168 -99.200 -91.000 TRP 37 1.040 -16.067 -0.999 0.544 -99.200 -91.000 TRP6 37 1.020 -14.157 -0.473 -0.742 -99.200 -91.000 PHE 50 1.000 -16.898 7.214 3.951 -99.200 -91.000 TYR 61 0.840 -7.366 14.986 -4.473 -99.200 -91.000 PHE 68 1.000 -9.124 11.672 -8.052 -99.200 -91.000 PHE 77 1.000 -2.601 -7.612 -8.790 -99.200 -91.000 TYR 80 0.840 -2.329 -7.367 1.281 -99.200 -91.000 TYR 92 0.840 -9.328 0.865 -8.473 -99.200 -91.000 PHE 110 1.000 -18.890 11.037 -3.558 -99.200 -91.000 TYR 113 0.840 -12.377 6.649 -6.473 -99.200 -91.000 HIS 117 0.900 -17.153 3.301 -4.617 -99.200 -91.000 HIS 120 0.900 -12.576 0.233 -13.030 -99.200 -91.000 PHE 128 1.000 -6.759 -0.013 -2.181 -99.200 -91.000 HIS 129 0.900 -6.568 -5.843 2.780 -99.200 -91.000 TYR 139 0.840 -8.740 -8.787 10.074 -99.200 -91.000 TYR 153 0.840 -2.539 -1.709 17.056 -99.200 -91.000 PHE 154 1.000 -2.919 1.284 24.523 -99.200 -91.000 PHE 156 1.000 -0.804 -6.560 17.041 -99.200 -91.000 TYR 161 0.840 6.689 -6.294 20.453 -99.200 -91.000 TYR 162 0.840 6.523 -6.775 27.503 -99.200 -91.000 TYR 178 0.840 -0.262 5.257 31.659 -99.200 -91.000 PHE 186 1.000 7.960 0.125 27.935 -99.200 -91.000 HIS 189 0.900 4.109 -3.103 24.556 -99.200 -91.000 TYR 199 0.840 -1.268 9.116 20.727 -99.200 -91.000 PHE 215 1.000 -3.590 15.486 26.176 -99.200 -91.000 TRP 245 1.040 11.336 4.060 25.738 -99.200 -91.000 TRP6 245 1.020 13.265 5.362 26.184 -99.200 -91.000 HIS 246 0.900 12.334 11.869 23.026 -99.200 -91.000 TYR 247 0.840 8.155 12.713 20.028 -99.200 -91.000 TYR 248 0.840 4.518 5.148 27.338 -99.200 -91.000 PHE 260 1.000 0.442 9.858 27.222 -99.200 -91.000 PHE 264 1.000 -0.894 5.689 25.464 -99.200 -91.000 TYR 266 0.840 -12.989 7.736 25.640 -99.200 -91.000 TYR 274 0.840 -9.251 -0.197 14.724 -99.200 -91.000 PHE 276 1.000 -16.136 3.931 22.243 -99.200 -91.000 TYR 284 0.840 -13.507 10.437 29.224 -99.200 -91.000