============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 16 1.000 6.146 -5.152 65.985 -99.200 -91.000 PHE 22 1.000 -3.431 4.548 59.577 -99.200 -91.000 TYR 26 0.840 -5.692 -2.181 47.104 -99.200 -91.000 HIS 35 0.900 0.215 -9.962 63.595 -99.200 -91.000 PHE 42 1.000 15.339 -6.677 65.926 -99.200 -91.000 HIS 43 0.900 23.203 -6.500 67.883 -99.200 -91.000 PHE 54 1.000 26.313 -8.726 46.536 -99.200 -91.000 PHE 57 1.000 28.839 -12.487 49.235 -99.200 -91.000 HIS 63 0.900 26.890 -15.265 45.679 -99.200 -91.000 PHE 70 1.000 16.507 -15.970 33.831 -99.200 -91.000 PHE 76 1.000 10.601 2.639 35.251 -99.200 -91.000 HIS 77 0.900 9.984 3.320 30.556 -99.200 -91.000 TRP 96 1.040 6.211 -0.880 34.963 -99.200 -91.000 TRP6 96 1.020 3.881 -0.928 34.565 -99.200 -91.000 TRP 97 1.040 9.540 -3.741 36.590 -99.200 -91.000 TRP6 97 1.020 11.627 -3.012 37.460 -99.200 -91.000 HIS 104 0.900 26.546 -8.093 36.305 -99.200 -91.000 TRP 105 1.040 27.252 -7.792 41.800 -99.200 -91.000 TRP6 105 1.020 28.996 -6.404 42.608 -99.200 -91.000 HIS 121 0.900 23.568 5.732 44.490 -99.200 -91.000 HIS 125 0.900 19.706 -5.525 38.256 -99.200 -91.000 TRP 128 1.040 15.226 -15.119 50.898 -99.200 -91.000 TRP6 128 1.020 16.076 -17.274 51.361 -99.200 -91.000 TYR 134 0.840 26.900 -8.571 52.485 -99.200 -91.000 TRP 137 1.040 32.278 -13.302 53.215 -99.200 -91.000 TRP6 137 1.020 32.523 -10.949 53.155 -99.200 -91.000 TRP 148 1.040 12.428 -4.360 56.722 -99.200 -91.000 TRP6 148 1.020 10.770 -2.733 56.272 -99.200 -91.000 TYR 150 0.840 11.099 -3.249 67.769 -99.200 -91.000 TYR 161 0.840 3.200 7.188 54.726 -99.200 -91.000 TRP 163 1.040 7.283 10.065 57.524 -99.200 -91.000 TRP6 163 1.020 8.252 8.689 55.863 -99.200 -91.000 TRP 173 1.040 8.804 14.694 47.989 -99.200 -91.000 TRP6 173 1.020 7.289 12.868 47.946 -99.200 -91.000 TRP 178 1.040 6.921 8.068 39.039 -99.200 -91.000 TRP6 178 1.020 8.419 6.993 37.554 -99.200 -91.000 PHE 182 1.000 5.025 3.332 37.293 -99.200 -91.000 HIS 184 0.900 3.988 6.522 29.893 -99.200 -91.000 HIS 192 0.900 18.561 10.906 45.452 -99.200 -91.000 TYR 201 0.840 15.100 11.066 50.729 -99.200 -91.000 HIS 206 0.900 13.128 1.277 66.879 -99.200 -91.000 TRP 209 1.040 20.693 6.344 58.224 -99.200 -91.000 TRP6 209 1.020 20.910 8.685 57.994 -99.200 -91.000 TRP 216 1.040 10.021 -3.348 46.101 -99.200 -91.000 TRP6 216 1.020 8.120 -3.591 47.462 -99.200 -91.000 TRP 218 1.040 15.632 -10.287 48.190 -99.200 -91.000 TRP6 218 1.020 13.828 -11.581 47.359 -99.200 -91.000 TRP 222 1.040 9.382 -20.465 52.835 -99.200 -91.000 TRP6 222 1.020 9.940 -20.237 50.541 -99.200 -91.000 PHE 223 1.000 2.549 -12.730 50.904 -99.200 -91.000 TYR 227 0.840 3.350 -16.350 60.116 -99.200 -91.000 TYR 228 0.840 0.773 -9.518 58.996 -99.200 -91.000 HIS 237 0.900 12.099 -17.424 63.383 -99.200 -91.000 TYR 252 0.840 14.446 2.986 41.454 -99.200 -91.000 HIS 255 0.900