============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. HIS 13 0.900 -4.323 30.851 9.724 -99.200 -91.000 PHE 14 1.000 -7.276 26.558 3.456 -99.200 -91.000 TRP 18 1.040 1.594 42.069 5.035 -99.200 -91.000 TRP6 18 1.020 3.932 42.128 5.341 -99.200 -91.000 HIS 19 0.900 -1.548 35.122 7.438 -99.200 -91.000 TYR 22 0.840 4.149 33.462 18.095 -99.200 -91.000 TRP 42 1.040 6.025 29.434 -1.978 -99.200 -91.000 TRP6 42 1.020 8.206 28.612 -2.381 -99.200 -91.000 PHE 45 1.000 14.079 36.707 0.785 -99.200 -91.000 PHE 55 1.000 13.067 47.812 -1.786 -99.200 -91.000 TYR 56 0.840 21.876 54.438 -3.408 -99.200 -91.000 TRP 59 1.040 25.521 46.535 7.918 -99.200 -91.000 TRP6 59 1.020 26.131 44.869 6.354 -99.200 -91.000 TYR 62 0.840 18.854 46.891 1.659 -99.200 -91.000 PHE 66 1.000 14.531 48.725 2.716 -99.200 -91.000 PHE 73 1.000 7.672 42.643 2.311 -99.200 -91.000 TRP 74 1.040 16.076 43.389 2.979 -99.200 -91.000 TRP6 74 1.020 16.553 41.964 1.155 -99.200 -91.000 HIS 81 0.900 21.568 34.056 10.732 -99.200 -91.000 PHE 92 1.000 6.021 48.190 -15.305 -99.200 -91.000 TYR 96 0.840 1.424 36.972 -13.313 -99.200 -91.000 PHE 98 1.000 8.340 28.993 -12.501 -99.200 -91.000 TYR 101 0.840 17.867 30.156 -7.630 -99.200 -91.000 PHE 104 1.000 17.950 32.911 0.605 -99.200 -91.000 TYR 113 0.840 23.182 40.537 7.944 -99.200 -91.000 PHE 120 1.000 17.428 27.955 -12.534 -99.200 -91.000 PHE 131 1.000 22.316 42.638 0.952 -99.200 -91.000 PHE 149 1.000 26.143 47.944 -12.059 -99.200 -91.000 TRP 153 1.040 21.590 40.669 -5.891 -99.200 -91.000 TRP6 153 1.020 19.323 40.469 -5.270 -99.200 -91.000 TRP 154 1.040 23.684 38.164 -0.814 -99.200 -91.000 TRP6 154 1.020 21.397 38.079 -1.392 -99.200 -91.000 TYR 155 0.840 25.434 44.989 -5.873 -99.200 -91.000 HIS 156 0.900 23.902 43.691 -11.296 -99.200 -91.000 TYR 164 0.840 8.299 49.718 -9.730 -99.200 -91.000 HIS 169 0.900 16.674 50.113 -17.028 -99.200 -91.000 PHE 172 1.000 25.137 47.525 -18.162 -99.200 -91.000 TRP 178 1.040 16.160 36.524 -13.330 -99.200 -91.000 TRP6 178 1.020 16.715 36.125 -11.070 -99.200 -91.000 TYR 184 0.840 23.006 42.682 -17.491 -99.200 -91.000 TYR 186 0.840 10.565 45.080 -18.993 -99.200 -91.000 TYR 188 0.840 11.445 41.051 -14.582 -99.200 -91.000