============================================================================= 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. TYR 4 0.840 3.318 -5.950 26.260 -99.200 -91.000 HIS 12 0.900 18.871 -23.758 13.099 -99.200 -91.000 PHE 14 1.000 10.258 -22.849 16.600 -99.200 -91.000 TRP 17 1.040 5.470 -17.399 19.054 -99.200 -91.000 TRP6 17 1.020 5.610 -15.223 19.967 -99.200 -91.000 TRP 25 1.040 -2.518 -15.871 15.973 -99.200 -91.000 TRP6 25 1.020 -1.261 -14.054 15.087 -99.200 -91.000 PHE 29 1.000 -6.764 -15.431 12.109 -99.200 -91.000 TYR 44 0.840 -6.883 -7.111 6.284 -99.200 -91.000 HIS 45 0.900 -12.047 -9.634 3.994 -99.200 -91.000 TRP 74 1.040 7.726 -4.983 0.762 -99.200 -91.000 TRP6 74 1.020 7.979 -3.503 2.607 -99.200 -91.000 TYR 77 0.840 15.790 -6.926 9.720 -99.200 -91.000 PHE 85 1.000 9.442 8.782 14.141 -99.200 -91.000 PHE 88 1.000 8.246 2.413 10.723 -99.200 -91.000 PHE 89 1.000 10.704 7.756 8.267 -99.200 -91.000 PHE 97 1.000 5.443 -4.314 8.752 -99.200 -91.000 PHE 102 1.000 5.338 -6.652 22.125 -99.200 -91.000 TYR 111 0.840 -5.117 1.090 23.170 -99.200 -91.000 PHE 118 1.000 -4.743 -10.197 15.904 -99.200 -91.000 HIS 119 0.900 -1.010 -2.573 15.552 -99.200 -91.000 PHE 122 1.000 -6.421 -10.364 11.632 -99.200 -91.000 HIS 124 0.900 0.064 -1.979 10.645 -99.200 -91.000 PHE 133 1.000 -0.519 -1.221 2.755 -99.200 -91.000 TYR 136 0.840 1.590 4.989 0.624 -99.200 -91.000 TYR 140 0.840 6.082 6.647 5.783 -99.200 -91.000 PHE 154 1.000 4.526 19.185 7.939 -99.200 -91.000 TYR 159 0.840 2.985 4.212 8.971 -99.200 -91.000 TRP 160 1.040 -2.998 8.896 12.824 -99.200 -91.000 TRP6 160 1.020 -2.356 7.382 14.543 -99.200 -91.000 PHE 161 1.000 -5.004 11.858 9.534 -99.200 -91.000 PHE 165 1.000 -6.029 4.767 13.496 -99.200 -91.000 TYR 177 0.840 -5.949 2.351 3.030 -99.200 -91.000 TYR 190 0.840 -14.560 6.654 16.590 -99.200 -91.000 PHE 202 1.000 -4.537 10.655 0.449 -99.200 -91.000 TYR 212 0.840 -1.124 12.155 13.768 -99.200 -91.000 TYR 221 0.840 -11.284 7.084 11.238 -99.200 -91.000 TYR 222 0.840 -7.825 13.333 5.527 -99.200 -91.000 PHE 236 1.000 2.779 13.127 -5.645 -99.200 -91.000 HIS 254 0.900 -8.768 22.485 8.858 -99.200 -91.000 PHE 258 1.000 -13.602 20.832 22.590 -99.200 -91.000