ALA HN 49 VAL QQG 6.38 40 ALA HA 41 ARG+ QB 4.83 40 ALA QB 48 GLN QB 5.59 41 ARG+ HN 41 ARG+ QB 3.59 41 ARG+ HA 41 ARG+ QG 3.17 41 ARG+ QG 42 LEU HN 4.07 41 ARG+ QG 48 GLN QB 4.20 41 ARG+ HG3 48 GLN HB2 5.33 41 ARG+ HG3 48 GLN HB3 5.33 41 ARG+ QG 48 GLN QG 5.51 41 ARG+ QD 48 GLN QB 6.42 41 ARG+ QD 48 GLN QE2 6.15 42 LEU HN 42 LEU QB 3.01 42 LEU HN 42 LEU QQD 4.79 42 LEU HA 42 LEU QQD 4.42 42 LEU HA 43 LYS+ QG 4.51 42 LEU QB 42 LEU HG 2.59 42 LEU QB 43 LYS+ HN 4.18 42 LEU QB 45 ASN QD2 5.26 42 LEU QB 47 ARG+ HN 4.22 42 LEU QQD 43 LYS+ HN 5.24 42 LEU QQD 45 ASN QD2 7.24 42 LEU QD2 45 ASN HD21 9.11 42 LEU QD2 45 ASN HD22 9.11 42 LEU QQD 47 ARG+ HN 7.17 42 LEU QQD 47 ARG+ QD 6.60 42 LEU QD2 47 ARG+ HD2 8.24 42 LEU QD2 47 ARG+ HD3 8.24 43 LYS+ HN 43 LYS+ QB 3.55 43 LYS+ HN 43 LYS+ QG 3.60 43 LYS+ HN 43 LYS+ QE 6.38 43 LYS+ HA 43 LYS+ QB 2.70 43 LYS+ HA 43 LYS+ QG 2.75 43 LYS+ HA 43 LYS+ QE 3.57 43 LYS+ QB 43 LYS+ QE 4.14 43 LYS+ QG 43 LYS+ QE 2.53 45 ASN HA 45 ASN QB 2.74 45 ASN QB 47 ARG+ HN 4.58 45 ASN QB 47 ARG+ QG 6.76 45 ASN QD2 47 ARG+ QD 5.45 45 ASN HD21 47 ARG+ HD3 6.77 46 ASN HN 47 ARG+ QD 6.38 46 ASN QB 48 GLN QE2 5.88 46 ASN HB2 48 GLN HE21 7.19 46 ASN HB2 48 GLN HE22 7.19 46 ASN QD2 47 ARG+ HA 5.25 47 ARG+ HN 47 ARG+ QB 3.38 47 ARG+ HN 47 ARG+ QD 6.07 47 ARG+ HA 47 ARG+ QB 2.61 47 ARG+ HA 47 ARG+ QD 5.15 47 ARG+ QB 47 ARG+ QD 3.23 47 ARG+ QB 48 GLN HN 3.23 47 ARG+ QD 49 VAL QQG 6.73 47 ARG+ HD2 49 VAL QG2 8.47 47 ARG+ HD3 49 VAL QG2 8.47 48 GLN HN 48 GLN QB 3.54 48 GLN HN 49 VAL QQG 8.09 48 GLN HA 48 GLN QB 2.73 48 GLN HA 48 GLN QG 3.78 48 GLN HA 49 VAL QQG 4.76 48 GLN QB 48 GLN QG 2.28 48 GLN QB 49 VAL HN 4.37 48 GLN QG 49 VAL HN 4.83 49 VAL HN 49 VAL QQG 4.02 49 VAL QQG 50 CYSS HN 4.92 50 CYSS HN 50 CYSS QB 3.51 50 CYSS QB 51 ILE HN 3.45 51 ILE HN 51 ILE QG1 3.85 51 ILE HA 51 ILE QG1 3.98 51 ILE HB 51 ILE QG1 2.61 51 ILE QG2 51 ILE QG1 3.44 51 ILE QG2 55 LEU QQD 6.99 51 ILE QG1 52 ASP- HN 6.38 51 ILE QG1 57 TRP HE1 6.38 51 ILE QG1 57 TRP HZ2 5.70 52 ASP- HN 53 PRO QD 6.38 52 ASP- HN 55 LEU QQD 6.27 52 ASP- HA 53 PRO QD 3.36 52 ASP- QB 54 LYS+ HN 4.26 52 ASP- QB 55 LEU HN 4.14 52 ASP- QB 55 LEU HG 3.50 52 ASP- QB 55 LEU QQD 4.94 52 ASP- HB3 55 LEU QD1 6.57 53 PRO HA 55 LEU QB 4.40 53 PRO QB 54 LYS+ HN 4.40 53 PRO QD 54 LYS+ HN 4.15 54 LYS+ HN 55 LEU QQD 7.94 55 LEU HN 55 LEU QB 3.49 55 LEU HN 55 LEU QQD 4.14 55 LEU HA 55 LEU QQD 4.07 55 LEU QB 57 TRP HN 4.41 55 LEU QB 57 TRP HD1 3.51 55 LEU QB 58 ILE QG2 4.70 55 LEU QB 58 ILE QG1 5.45 55 LEU HB2 58 ILE HG12 6.72 55 LEU HB3 58 ILE HG12 6.72 55 LEU QB 58 ILE QD1 5.33 55 LEU QB 59 GLN HN 4.71 55 LEU QQD 56 LYS+ HN 8.10 55 LEU QQD 56 LYS+ QB 7.86 55 LEU QQD 57 TRP HD1 6.42 55 LEU QQD 57 TRP HE1 4.08 55 LEU QQD 57 TRP HZ2 5.96 55 LEU QQD 58 ILE QG1 7.46 56 LYS+ HA 56 LYS+ QG 3.12 56 LYS+ HA 59 GLN QG 4.46 57 TRP HN 57 TRP QB 3.33 57 TRP HA 60 GLU- QB 3.39 57 TRP HA 60 GLU- QG 5.85 57 TRP QB 57 TRP HD1 3.30 57 TRP QB 58 ILE HN 5.30 57 TRP HZ3 58 ILE QG1 5.57 58 ILE HN 59 GLN QG 6.38 58 ILE HN 62 LEU QQD 8.10 58 ILE HA 58 ILE QG1 3.35 58 ILE QG2 59 GLN QG 5.55 58 ILE QD1 62 LEU QQD 8.23 59 GLN HN 62 LEU QQD 8.10 59 GLN HA 62 LEU QQD 5.43 59 GLN QB 62 LEU QQD 8.51 59 GLN QG 60 GLU- HN 5.57 59 GLN QG 62 LEU QQD 6.55 59 GLN HG2 62 LEU QD2 8.18 59 GLN HG3 62 LEU QD2 8.18 59 GLN QE2 62 LEU QQD 8.05 59 GLN HE21 62 LEU QD2 9.67 59 GLN HE22 62 LEU QD2 9.67 60 GLU- HN 60 GLU- QB 2.55 60 GLU- HN 60 GLU- QG 4.18 60 GLU- HN 62 LEU QQD 8.10 60 GLU- HA 60 GLU- QB 2.72 60 GLU- QB 61 TYR HN 3.76 61 TYR QB 62 LEU QQD 8.38 61 TYR QD 62 LEU QQD 8.04 61 TYR QE 62 LEU QQD 8.28 62 LEU HN 62 LEU QB 2.91 62 LEU HN 62 LEU QQD 4.80 62 LEU HN 63 GLU- QB 4.99 62 LEU HA 62 LEU QQD 3.58 62 LEU QB 63 GLU- HN 3.25 62 LEU QQD 63 GLU- HN 5.13 62 LEU QQD 65 ALA HN 8.04 63 GLU- HN 63 GLU- QB 2.59 63 GLU- HN 63 GLU- QG 3.96 63 GLU- HA 63 GLU- QB 2.72 63 GLU- HA 63 GLU- QG 3.41 63 GLU- QB 64 LYS+ HN 3.55 63 GLU- QG 64 LYS+ HN 6.38 63 GLU- QG 65 ALA HN 4.80 64 LYS+ HN 64 LYS+ QG 4.95 64 LYS+ HA 64 LYS+ QG 2.89 64 LYS+ QG 65 ALA HN 6.38 65 ALA HN 66 LEU QB 4.99 65 ALA HA 66 LEU QB 4.37 66 LEU HA 66 LEU QB 2.70 67 ASN QD2 68 LYS+ QB 6.32 67 ASN HD21 68 LYS+ HB2 7.25 67 ASN HD22 68 LYS+ HB2 7.25 68 LYS+ HN 68 LYS+ QB 3.18 68 LYS+ QB 68 LYS+ QD 3.57 68 LYS+ QB 68 LYS+ QE 4.58 cat << EOF > csdf1a.cya info := normal name := sdf1a tf_type := 2 cut_tf := 1000.0 seed := 35621 cut_upl := 0.1 cut_aco := 2.0 cyanalib #dyanalib read seq ./sdf1a.seq read prot ./sdf1a.prot atom shift check read peaks ./c13no_ed.peaks assigned integrated peak set volume=abs(volume) #caliba caliba bb=0.8E+07 dmax=5.5 write upl c13no_cal.upl distance delete read peaks ./no15n_ed.peaks assigned integrated peak set volume=abs(volume) #caliba caliba bb=5.8E+06 dmax=5.5 write upl n15no_cal.upl distance delete read peaks ./c13no_ar_ed.peaks assigned integrated peak set volume=abs(volume) #caliba caliba bb=1.5E+06 dmax=5.5 write upl c13no_ar_cal.upl distance delete read upl c13no_cal.upl read upl cyss.upl append read lol cyss.lol append read upl n15no_cal.upl append read upl c13no_ar_cal.upl append distance modify distance check write upl sdf1a.upl #read upl cycle7.upl read aco sdf1a.aco ssbond 9-34 ssbond 11-50 #distance select all distance stat #dcostat ctmoc_dco #seqplot ctmoc_seq nproc=4 calc_all 100 command=anneal steps=10000 overview structures=20 range=9..64 cor full vdw ramachandran file=rama nobackground label EOF cyana << csdf1a.cya > csdf1a.out csdf1a quit # Number of dimensions 3 #INAME 1 1H #INAME 2 1H #INAME 3 13C 6 1.553 1.557 25.042 1 U 5.788e+05 0.00e+00 m 0 989 989 988 0 8 0.783 0.783 25.366 1 U 1.308e+06 0.00e+00 m 0 616 616 621 0 11 1.373 1.377 24.819 1 U 1.590e+06 0.00e+00 m 0 1225 1225 1222 0 12 0.823 0.828 25.366 1 U -2.847e+06 0.00e+00 m 0 91 91 83 0 15 1.292 1.296 24.761 1 U 1.181e+06 0.00e+00 m 0 475 475 472 0 18 1.490 1.494 25.042 1 U 6.684e+05 0.00e+00 m 0 990 990 988 0 21 1.131 1.135 24.674 1 U 2.523e+05 0.00e+00 m 0 413 413 410 0 24 0.768 0.783 24.072 1 U 2.641e+06 0.00e+00 m 0 527 527 519 0 26 1.281 1.285 65.552 4 U 9.279e+05 0.00e+00 m 0 0 0 0 0 30 0.840 0.844 65.275 4 U -1.926e+06 0.00e+00 m 0 0 0 0 0 31 1.275 1.279 23.800 1 U 1.320e+06 0.00e+00 m 0 688 688 689 0 38 4.288 4.292 23.425 1 U -3.342e+05 0.00e+00 m 0 166 166 165 0 45 0.150 0.154 64.922 4 U 5.800e+01 0.00e+00 m 0 0 0 0 0 47 3.799 3.803 64.797 4 U -3.036e+04 0.00e+00 m 0 0 0 0 0 48 0.977 0.981 23.386 1 U 2.528e+06 0.00e+00 m 0 969 969 974 0 49 3.850 3.854 64.666 4 U -5.934e+05 0.00e+00 m 0 0 0 0 0 50 3.798 3.802 64.531 4 U -4.093e+05 0.00e+00 m 0 0 0 0 0 51 4.221 4.225 64.445 1 U -2.283e+05 0.00e+00 m 0 559 559 558 0 52 0.757 0.761 22.981 1 U 1.664e+06 0.00e+00 m 0 733 733 738 0 53 0.990 0.994 64.325 4 U 5.187e+04 0.00e+00 m 0 0 0 0 0 54 0.812 0.816 64.265 4 U 6.623e+05 0.00e+00 m 0 0 0 0 0 55 4.817 4.821 64.174 4 U -9.970e+02 0.00e+00 m 0 0 0 0 0 56 4.754 4.758 64.205 4 U -5.400e+02 0.00e+00 m 0 0 0 0 0 57 3.823 3.827 64.171 3 U 2.315e+06 0.00e+00 m 0 68 68 65 0 58 3.644 3.648 64.177 4 U -2.465e+05 0.00e+00 m 0 0 0 0 0 60 1.238 1.242 64.039 3 U 3.178e+05 0.00e+00 m 0 549 549 551 0 62 0.781 0.785 63.948 4 U -1.265e+06 0.00e+00 m 0 0 0 0 0 66 1.240 1.244 63.714 1 U -1.452e+06 0.00e+00 m 0 549 549 551 0 67 0.897 0.901 63.709 4 U -1.064e+05 0.00e+00 m 0 0 0 0 0 68 0.950 0.954 63.684 4 U -2.593e+04 0.00e+00 m 0 0 0 0 0 69 0.842 0.846 63.662 3 U 1.704e+06 0.00e+00 m 0 400 400 392 0 70 4.007 4.011 63.546 1 U 2.741e+05 0.00e+00 m 0 919 919 918 0 71 4.418 4.422 63.494 1 U 4.959e+05 0.00e+00 m 0 30 30 29 0 74 1.221 1.225 63.254 4 U -1.738e+05 0.00e+00 m 0 0 0 0 0 75 0.865 0.869 63.264 1 U 7.164e+05 0.00e+00 m 0 320 320 312 0 76 0.482 0.486 63.247 4 U -1.065e+03 0.00e+00 m 0 0 0 0 0 77 4.789 4.793 63.209 4 U -2.220e+02 0.00e+00 m 0 0 0 0 0 78 4.739 4.743 63.158 4 U -7.480e+02 0.00e+00 m 0 0 0 0 0 79 4.428 4.432 63.167 3 U 1.200e+06 0.00e+00 m 0 30 30 29 0 80 4.512 4.516 63.144 4 U -1.025e+03 0.00e+00 m 0 0 0 0 0 81 4.483 4.487 63.136 4 U 7.476e+03 0.00e+00 m 0 0 0 0 0 82 4.036 4.040 63.052 4 U 2.440e+05 0.00e+00 m 0 0 0 0 0 83 0.875 0.870 63.223 1 U 2.182e+06 0.00e+00 m 0 864 864 866 0 84 4.067 4.071 62.823 3 U 4.807e+05 0.00e+00 m 0 46 46 45 0 85 4.834 4.838 62.695 4 U -7.770e+02 0.00e+00 m 0 0 0 0 0 86 4.423 4.427 62.703 4 U 1.294e+05 0.00e+00 m 0 0 0 0 0 87 0.918 0.922 62.691 3 U 1.710e+06 0.00e+00 m 0 59 59 51 0 88 4.644 4.648 62.635 4 U 4.088e+04 0.00e+00 m 0 0 0 0 0 89 4.872 4.876 62.467 4 U 4.460e+02 0.00e+00 m 0 0 0 0 0 90 4.746 4.750 62.486 4 U -9.200e+01 0.00e+00 m 0 0 0 0 0 91 4.067 4.071 62.495 1 U 9.715e+05 0.00e+00 m 0 46 46 45 0 92 4.341 4.345 62.406 1 U 1.026e+05 0.00e+00 m 0 387 387 386 0 93 0.931 0.935 62.410 1 U 4.284e+05 0.00e+00 m 0 59 59 51 0 94 0.858 0.862 62.302 3 U -2.016e+06 0.00e+00 m 0 682 682 674 0 96 4.066 4.070 62.035 4 U 1.262e+05 0.00e+00 m 0 0 0 0 0 97 0.858 0.862 61.902 3 U -7.641e+05 0.00e+00 m 0 682 682 674 0 98 0.957 0.961 61.789 4 U -1.676e+05 0.00e+00 m 0 0 0 0 0 99 4.131 4.135 61.605 1 U 2.080e+05 0.00e+00 m 0 307 307 306 0 100 3.617 3.621 61.605 1 U 1.676e+05 0.00e+00 m 0 1033 1033 1032 0 101 0.920 0.924 61.644 4 U -2.276e+05 0.00e+00 m 0 0 0 0 0 102 0.958 0.962 61.504 4 U -2.310e+04 0.00e+00 m 0 0 0 0 0 103 1.288 1.292 61.432 3 U -1.211e+06 0.00e+00 m 0 326 326 327 0 104 4.209 4.213 61.281 1 U 2.752e+05 0.00e+00 m 0 1086 1086 1085 0 105 0.956 0.960 61.226 4 U 1.351e+03 0.00e+00 m 0 0 0 0 0 106 1.290 1.300 61.094 1 U -1.699e+06 0.00e+00 m 0 326 326 327 0 107 0.958 0.962 61.004 4 U -3.681e+03 0.00e+00 m 0 0 0 0 0 108 0.842 0.846 60.985 4 U -5.180e+04 0.00e+00 m 0 0 0 0 0 110 1.413 1.417 60.741 3 U -8.834e+05 0.00e+00 m 0 599 599 600 0 111 1.348 1.352 60.631 4 U -3.163e+05 0.00e+00 m 0 0 0 0 0 112 1.185 1.189 60.516 1 U -1.475e+06 0.00e+00 m 0 1172 1172 1173 0 113 0.761 0.769 60.310 1 U -1.197e+06 0.00e+00 m 0 865 865 870 0 114 1.404 1.408 60.402 1 U -1.856e+06 0.00e+00 m 0 599 599 600 0 117 4.717 4.721 60.122 1 U -1.329e+04 0.00e+00 m 0 648 648 647 0 118 0.625 0.633 60.203 1 U -1.081e+06 0.00e+00 m 0 651 651 652 0 119 5.038 5.042 60.111 1 U 1.030e+05 0.00e+00 m 0 669 669 668 0 120 3.916 3.920 60.116 1 U 3.094e+05 0.00e+00 m 0 983 983 982 0 121 1.247 1.251 60.122 1 U -2.106e+06 0.00e+00 m 0 364 364 365 0 124 0.955 0.959 59.725 4 U -5.134e+03 0.00e+00 m 0 0 0 0 0 125 0.681 0.685 59.724 1 U -1.046e+06 0.00e+00 m 0 891 891 892 0 126 0.543 0.547 59.700 4 U -1.985e+05 0.00e+00 m 0 0 0 0 0 130 0.800 0.804 59.600 1 U -1.689e+06 0.00e+00 m 0 492 492 493 0 131 1.256 1.260 59.535 4 U -5.643e+05 0.00e+00 m 0 0 0 0 0 133 3.814 3.818 59.663 1 U 5.163e+05 0.00e+00 m 0 1054 1054 1053 0 134 4.505 4.509 59.397 1 U 1.176e+05 0.00e+00 m 0 888 888 887 0 135 4.079 4.083 59.152 1 U 2.170e+05 0.00e+00 m 0 1072 1072 1071 0 136 4.727 4.731 59.266 1 U 3.173e+03 0.00e+00 m 0 861 861 860 0 137 0.836 0.840 59.190 4 U -2.349e+05 0.00e+00 m 0 0 0 0 0 138 0.555 0.559 59.203 1 U -1.388e+06 0.00e+00 m 0 1036 1036 1037 0 139 2.606 2.610 59.155 1 U 1.545e+05 0.00e+00 m 0 335 335 334 0 140 3.987 3.991 59.143 1 U 2.469e+05 0.00e+00 m 0 1131 1131 1130 0 141 0.783 0.787 59.034 4 U -1.438e+05 0.00e+00 m 0 0 0 0 0 145 4.356 4.360 58.433 1 U 5.934e+05 0.00e+00 m 0 96 96 95 0 147 4.624 4.628 58.388 1 U 1.597e+05 0.00e+00 m 0 1009 1009 1008 0 148 4.146 4.150 58.391 4 U 3.414e+05 0.00e+00 m 0 0 0 0 0 149 4.484 4.488 58.356 4 U 1.390e+06 0.00e+00 m 0 0 0 0 0 151 3.813 3.817 58.294 4 U 7.464e+03 0.00e+00 m 0 0 0 0 0 152 4.417 4.421 58.148 1 U 1.031e+06 0.00e+00 m 0 64 64 63 0 154 3.798 3.802 58.137 4 U 5.551e+03 0.00e+00 m 0 0 0 0 0 155 4.817 4.821 58.079 4 U 8.580e+02 0.00e+00 m 0 0 0 0 0 157 4.505 4.509 58.008 1 U 5.948e+05 0.00e+00 m 0 106 106 105 0 158 4.138 4.142 57.922 1 U 1.251e+06 0.00e+00 m 0 1217 1217 1216 0 159 3.882 3.886 57.619 1 U 2.201e+05 0.00e+00 m 0 1109 1109 1108 0 160 4.197 4.201 57.543 1 U 5.657e+05 0.00e+00 m 0 1145 1145 1144 0 161 4.131 4.135 57.464 4 U 3.209e+05 0.00e+00 m 0 0 0 0 0 162 3.972 3.976 57.293 1 U 3.702e+05 0.00e+00 m 0 191 191 190 0 163 4.197 4.201 57.084 1 U 5.708e+05 0.00e+00 m 0 815 815 814 0 165 4.379 4.383 56.483 1 U 2.810e+05 0.00e+00 m 0 405 405 404 0 166 5.634 5.638 56.377 1 U 5.078e+04 0.00e+35.125 1 U 7.589e+03 0.00e+00 m 0 311 311 310 0 258 1.992 1.762 35.125 1 U 6.668e+03 0.00e+00 m 0 311 312 310 0 259 1.992 3.000 35.125 1 U 2.400e+02 0.00e+00 m 0 311 325 310 0 260 1.771 4.714 35.125 1 U 1.548e+03 0.00e+00 m 0 312 309 310 0 261 1.771 1.983 35.125 1 U 7.112e+03 0.00e+00 m 0 312 311 310 0 262 1.771 1.762 35.125 1 U 3.477e+04 0.00e+00 m 0 312 312 310 0 263 1.771 3.000 35.125 1 U 3.820e+02 0.00e+00 m 0 312 325 310 0 264 4.957 4.948 56.996 1 U 6.034e+03 0.00e+00 m 0 335 335 334 0 266 3.886 4.948 66.287 1 U -1.883e+03 0.00e+00 m 0 337 335 336 0 268 4.516 4.507 52.453 1 U 4.414e+03 0.00e+00 m 0 345 345 344 0 269 4.516 0.625 52.453 1 U 1.337e+03 0.00e+00 m 0 345 347 344 0 270 4.516 -0.488 52.453 1 U 2.710e+02 0.00e+00 m 0 345 348 344 0 271 0.634 4.507 43.841 1 U 5.480e+02 0.00e+00 m 0 347 345 346 0 272 0.634 0.625 43.841 1 U 2.192e+03 0.00e+00 m 0 347 347 346 0 273 0.634 -0.488 43.841 1 U 1.594e+03 0.00e+00 m 0 347 348 346 0 274 -0.479 4.507 43.841 1 U 8.630e+02 0.00e+00 m 0 348 345 346 0 275 -0.479 0.625 43.841 1 U 2.606e+03 0.00e+00 m 0 348 347 346 0 276 -0.479 -0.488 43.841 1 U 2.059e+03 0.00e+00 m 0 348 348 346 0 278 3.509 1.700 55.455 1 U 1.574e+03 0.00e+00 m 0 367 369 366 0 279 3.509 1.450 55.455 1 U 1.188e+03 0.00e+00 m 0 367 370 366 0 281 1.709 1.700 30.871 1 U 2.638e+03 0.00e+00 m 0 369 369 368 0 282 1.709 1.450 30.871 1 U 2.482e+03 0.00e+00 m 0 369 370 368 0 283 1.459 3.500 30.871 1 U 6.780e+02 0.00e+00 m 0 370 367 368 0 284 1.459 1.700 30.871 1 U 1.786e+03 0.00e+00 m 0 370 369 368 0 285 1.459 1.450 30.871 1 U 1.897e+03 0.00e+00 m 0 370 370 368 0 286 4.158 4.149 63.625 1 U 3.549e+04 0.00e+00 m 0 402 402 401 0 287 4.158 2.226 63.625 1 U 3.189e+03 0.00e+00 m 0 402 404 401 0 288 4.158 1.727 63.625 1 U 4.351e+03 0.00e+00 m 0 402 405 401 0 289 2.235 4.149 32.247 1 U 3.567e+03 0.00e+00 m 0 404 402 403 0 290 2.235 2.226 32.247 1 U 3.663e+04 0.00e+00 m 0 404 404 403 0 291 2.235 1.727 32.247 1 U 9.839e+03 0.00e+00 m 0 404 405 403 0 292 1.736 4.149 32.247 1 U 2.119e+03 0.00e+00 m 0 405 402 403 0 293 1.736 2.226 32.247 1 U 5.889e+03 0.00e+00 m 0 405 404 403 0 294 1.736 1.727 32.247 1 U 1.383e+04 0.00e+00 m 0 405 405 403 0 295 4.131 4.123 57.846 1 U 3.991e+04 0.00e+00 m 0 418 418 417 0 297 1.590 4.123 42.756 1 U 3.789e+03 0.00e+00 m 0 422 418 419 0 298 1.590 1.581 42.756 1 U 4.679e+04 0.00e+00 m 0 422 422 419 0 299 3.918 3.909 46.351 1 U 4.845e+03 0.00e+00 m 0 440 440 439 0 300 4.298 4.289 58.620 1 U 8.464e+03 0.00e+00 m 0 447 447 446 0 301 4.298 2.805 58.620 1 U 2.320e+03 0.00e+00 m 0 447 449 446 0 302 2.813 4.289 41.289 1 U 1.095e+03 0.00e+00 m 0 449 447 448 0 304 4.387 4.378 55.842 1 U 3.286e+04 0.00e+00 m 0 470 470 469 0 305 4.387 2.909 55.842 1 U 2.799e+03 0.00e+00 m 0 470 474 469 0 306 2.918 4.378 37.480 1 U 1.743e+03 0.00e+00 m 0 474 470 471 0 307 2.918 2.909 37.480 1 U 1.292e+04 0.00e+00 m 0 474 474 471 0 308 4.108 4.100 57.917 1 U 4.756e+04 0.00e+00 m 0 484 484 483 0 309 4.108 1.692 57.917 1 U 9.771e+03 0.00e+00 m 0 484 488 483 0 310 1.700 4.100 29.474 1 U 5.182e+03 0.00e+00 m 0 488 484 485 0 312 4.455 4.447 57.878 1 U 1.024e+04 0.00e+00 m 0 498 498 497 0 313 4.455 2.813 57.878 1 U 5.530e+02 0.00e+00 m 0 498 500 497 0 314 4.455 1.920 57.878 1 U 3.760e+02 0.00e+00 m 0 498 501 497 0 315 2.822 4.447 38.507 1 U 1.187e+03 0.00e+00 m 0 500 498 499 0 316 2.822 2.813 38.507 1 U 6.700e+03 0.00e+00 m 0 500 500 499 0 317 2.822 1.920 38.507 1 U 1.800e+03 0.00e+00 m 0 500 501 499 0 318 1.929 4.447 38.507 1 U 8.870e+02 0.00e+00 m 0 501 498 499 0 319 1.929 2.813 38.507 1 U 1.504e+03 0.00e+00 m 0 501 500 499 0 320 1.929 1.920 38.507 1 U 4.135e+03 0.00e+00 m 0 501 501 499 0 324 2.335 4.343 32.247 1 U 3.100e+03 0.00e+00 m 0 611 570 610 0 325 2.335 2.335 32.247 1 U 1.542e+05 0.00e+00 m 0 611 611 610 0 326 2.335 1.838 32.247 1 U 9.657e+03 0.00e+00 m 0 611 612 610 0 327 1.847 4.343 32.247 1 U 2.598e+03 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1.709 7.263 30.871 3 U 6.460e+02 0.00e+00 m 0 369 216 368 0 1786 1.709 8.436 30.871 1 U 6.950e+02 0.00e+00 m 0 369 365 368 0 1788 3.509 8.464 55.455 1 U 5.960e+02 0.00e+00 m 0 367 365 366 0 1789 0.565 8.464 23.092 1 U 2.334e+03 0.00e+00 m 0 353 365 358 0 1790 1.459 8.464 30.871 1 U 6.880e+02 0.00e+00 m 0 370 365 368 0 1791 1.200 8.367 35.393 1 U 4.480e+02 0.00e+00 m 0 374 379 372 0 1792 1.200 7.250 35.393 3 U 4.650e+02 0.00e+00 m 0 374 216 372 0 1793 3.418 8.350 57.405 1 U 5.600e+02 0.00e+00 m 0 381 379 380 0 1795 3.418 1.794 57.405 1 U 2.465e+03 0.00e+00 m 0 381 412 380 0 1796 3.418 1.078 57.405 1 U 6.310e+02 0.00e+00 m 0 381 390 380 0 1797 3.418 0.801 57.405 1 U 1.019e+03 0.00e+00 m 0 381 391 380 0 1799 3.418 0.318 57.405 1 U 1.345e+03 0.00e+00 m 0 381 393 380 0 1800 1.827 0.330 37.300 1 U 1.168e+03 0.00e+00 m 0 383 393 382 0 1801 1.827 0.795 37.300 1 U 2.980e+03 0.00e+00 m 0 383 391 382 0 1803 0.608 1.059 57.728 4 U -2.952e+03 0.00e+00 m 0 0 0 0 0 1804 0.608 1.543 57.728 4 U 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394 0 1820 0.330 1.304 52.549 3 U -4.351e+03 0.00e+00 m 0 393 1094 394 0 1822 0.608 6.124 57.728 3 U -1.123e+03 0.00e+00 m 0 384 118 385 0 1823 0.608 7.075 57.728 4 U -5.013e+03 0.00e+00 m 0 0 0 0 0 1824 0.608 7.546 57.728 1 U -5.710e+02 0.00e+00 m 0 384 526 385 0 1825 0.608 8.033 57.728 1 U -7.450e+02 0.00e+00 m 0 384 445 385 0 1826 0.608 8.354 57.728 1 U -1.126e+03 0.00e+00 m 0 384 379 385 0 1827 1.095 7.060 27.948 1 U 6.110e+02 0.00e+00 m 0 390 527 389 0 1828 1.095 8.354 27.948 1 U 1.319e+03 0.00e+00 m 0 390 379 389 0 1829 0.807 8.361 27.948 1 U 1.441e+03 0.00e+00 m 0 391 379 389 0 1830 0.330 5.337 52.549 4 U -3.430e+03 0.00e+00 m 0 0 0 0 0 1831 0.330 6.124 52.549 3 U -3.373e+03 0.00e+00 m 0 393 118 394 0 1832 0.330 6.753 52.549 4 U -1.982e+03 0.00e+00 m 0 0 0 0 0 1833 0.330 7.046 52.549 1 U -7.760e+03 0.00e+00 m 0 393 527 394 0 1834 0.330 8.361 52.549 1 U -1.319e+03 0.00e+00 m 0 393 379 394 0 1835 0.330 8.891 52.549 1 U -1.141e+03 0.00e+00 m 0 393 1086 394 0 1836 2.644 3.396 50.283 1 U 2.329e+03 0.00e+00 m 0 411 381 400 0 1837 1.821 2.636 50.283 1 U 2.964e+03 0.00e+00 m 0 412 411 400 0 1838 1.821 3.396 50.283 1 U 1.988e+03 0.00e+00 m 0 412 381 400 0 1839 1.821 6.108 50.283 1 U 4.970e+02 0.00e+00 m 0 412 117 400 0 1840 2.644 6.108 50.283 1 U 5.860e+02 0.00e+00 m 0 411 117 400 0 1841 4.158 4.517 63.625 4 U 2.462e+03 0.00e+00 m 0 0 0 0 0 1842 4.158 7.033 63.625 3 U 6.030e+02 0.00e+00 m 0 299 0 298 0 1843 4.158 8.228 63.625 1 U 1.891e+03 0.00e+00 m 0 299 297 298 0 1844 4.158 8.318 63.625 3 U 1.347e+03 0.00e+00 m 0 299 307 298 0 1845 4.158 7.998 63.625 1 U 4.743e+03 0.00e+00 m 0 402 416 401 0 1846 2.235 8.012 32.247 1 U 1.090e+03 0.00e+00 m 0 404 416 403 0 1847 2.235 8.673 32.247 4 U 7.390e+02 0.00e+00 m 0 0 0 0 0 1848 4.158 1.491 63.625 1 U 1.783e+03 0.00e+00 m 0 402 409 401 0 1849 4.158 0.279 63.625 4 U 1.076e+03 0.00e+00 m 0 0 0 0 0 1850 4.158 0.750 63.625 3 U 7.090e+02 0.00e+00 m 0 299 1227 298 0 1851 1.821 0.593 50.283 1 U 2.136e+03 0.00e+00 m 0 412 384 400 0 1852 2.644 1.812 50.283 1 U 3.948e+03 0.00e+00 m 0 411 412 400 0 1853 2.644 1.498 50.283 1 U 1.259e+03 0.00e+00 m 0 411 409 400 0 1854 2.644 1.674 50.283 1 U 2.944e+03 0.00e+00 m 0 411 408 400 0 1855 2.644 0.593 50.283 1 U 1.843e+03 0.00e+00 m 0 411 384 400 0 1856 2.644 0.311 50.283 1 U 6.890e+02 0.00e+00 m 0 411 393 400 0 1857 1.821 0.329 50.283 1 U 4.340e+02 0.00e+00 m 0 412 393 400 0 1858 1.500 1.661 28.272 1 U 1.033e+04 0.00e+00 m 0 409 408 407 0 1859 1.500 2.220 28.272 1 U 2.241e+03 0.00e+00 m 0 409 404 407 0 1860 1.500 3.413 28.272 3 U 7.100e+02 0.00e+00 m 0 409 0 407 0 1861 1.500 2.641 28.272 1 U 1.355e+03 0.00e+00 m 0 409 411 407 0 1862 1.675 2.634 28.272 1 U 1.041e+03 0.00e+00 m 0 408 411 407 0 1863 1.736 2.628 32.247 1 U 5.720e+02 0.00e+00 m 0 405 411 403 0 1864 4.131 1.686 57.846 1 U 6.009e+03 0.00e+00 m 0 418 424 417 0 1865 4.131 1.579 57.846 1 U 5.736e+03 0.00e+00 m 0 418 422 417 0 1866 1.590 0.907 42.756 1 U 7.021e+03 0.00e+00 m 0 422 425 419 0 1868 1.695 2.955 27.300 1 U 6.590e+02 0.00e+00 m 0 424 1036 423 0 1869 0.911 1.586 25.035 1 U 1.202e+04 0.00e+00 m 0 425 422 427 0 1870 0.911 1.686 25.035 1 U 1.183e+04 0.00e+00 m 0 425 424 427 0 1871 0.911 2.151 25.035 1 U 2.807e+03 0.00e+00 m 0 425 1009 427 0 1872 0.911 2.251 25.035 4 U 3.454e+03 0.00e+00 m 0 0 0 0 0 1873 0.911 2.955 25.035 1 U 2.863e+03 0.00e+00 m 0 425 1036 427 0 1874 0.911 4.123 25.035 1 U 6.427e+03 0.00e+00 m 0 425 418 427 0 1875 0.911 4.481 25.035 1 U 1.783e+03 0.00e+00 m 0 425 1021 427 0 1876 1.695 4.123 27.300 1 U 1.766e+03 0.00e+00 m 0 424 418 423 0 1877 4.131 8.026 57.846 1 U 2.045e+03 0.00e+00 m 0 418 416 417 0 1878 4.131 8.740 57.846 1 U 1.028e+03 0.00e+00 m 0 418 438 417 0 1879 1.590 8.026 42.756 1 U 3.249e+03 0.00e+00 m 0 422 416 419 0 1880 1.590 8.740 42.756 1 U 9.990e+02 0.00e+00 m 0 422 438 419 0 1881 1.695 8.026 27.300 1 U 1.524e+03 0.00e+00 m 0 424 416 423 0 1882 0.911 6.480 25.035 1 U 1.445e+03 0.00e+00 m 0 425 478 427 0 1883 0.911 7.336 25.035 1 U 1.840e+03 0.00e+00 m 0 425 477 427 0 1884 0.911 7.515 25.035 1 U 1.239e+03 0.00e+00 m 0 425 1019 427 0 1885 0.911 8.026 25.035 1 U 2.207e+03 0.00e+00 m 0 425 416 427 0 1886 0.911 8.740 25.035 1 U 8.560e+02 0.00e+00 m 0 425 438 427 0 1887 3.840 8.050 46.351 1 U 8.370e+02 0.00e+00 m 0 441 445 439 0 1888 3.840 8.728 46.351 1 U 8.590e+02 0.00e+00 m 0 441 438 439 0 1889 3.918 8.038 46.351 1 U 6.730e+02 0.00e+00 m 0 440 445 439 0 1890 3.918 8.728 46.351 1 U 5.560e+02 0.00e+00 m 0 440 438 439 0 1892 4.298 6.361 58.620 1 U 9.450e+02 0.00e+00 m 0 447 503 446 0 1893 4.298 6.706 58.620 1 U 8.930e+02 0.00e+00 m 0 447 504 446 0 1894 4.298 7.099 58.620 1 U 1.869e+03 0.00e+00 m 0 447 452 446 0 1895 4.298 8.026 58.620 1 U 1.039e+03 0.00e+00 m 0 447 445 446 0 1898 2.758 8.026 41.289 1 U 1.460e+03 0.00e+00 m 0 450 445 448 0 1899 2.813 8.026 41.289 1 U 1.141e+03 0.00e+00 m 0 449 445 448 0 1900 2.813 7.099 41.289 1 U 1.510e+03 0.00e+00 m 0 449 452 448 0 1901 2.758 7.099 41.289 1 U 1.626e+03 0.00e+00 m 0 450 452 448 0 1902 2.758 6.980 41.289 3 U 1.167e+03 0.00e+00 m 0 1269 1198 1268 0 1903 2.758 1.781 41.289 3 U 8.260e+02 0.00e+00 m 0 1386 0 1385 0 1904 2.758 0.601 41.289 1 U 1.012e+03 0.00e+00 m 0 450 384 448 0 1905 2.813 0.584 41.289 1 U 1.120e+03 0.00e+00 m 0 449 384 448 0 1906 2.813 1.713 41.289 1 U 7.370e+02 0.00e+00 m 0 449 405 448 0 1908 4.387 7.545 55.842 1 U 3.410e+03 0.00e+00 m 0 470 526 469 0 1909 2.918 7.323 37.480 1 U 1.239e+03 0.00e+00 m 0 474 477 471 0 1910 2.918 7.528 37.480 1 U 2.028e+03 0.00e+00 m 0 474 526 471 0 1912 4.108 7.460 57.917 1 U 3.755e+03 0.00e+00 m 0 484 482 483 0 1913 1.700 1.384 29.474 4 U 1.800e+04 0.00e+00 m 0 0 0 0 0 1914 4.108 1.384 57.917 4 U 1.472e+03 0.00e+00 m 0 0 0 0 0 1916 1.700 4.458 29.474 3 U 1.566e+03 0.00e+00 m 0 488 0 485 0 1917 1.700 4.768 29.474 1 U 2.243e+03 0.00e+00 m 0 931 920 929 0 1919 1.700 7.448 29.474 1 U 4.238e+03 0.00e+00 m 0 488 482 485 0 1920 1.700 7.474 29.474 1 U 4.238e+03 0.00e+00 m 0 488 482 485 0 1921 4.108 7.490 57.917 1 U 3.755e+03 0.00e+00 m 0 484 496 483 0 1922 2.822 0.489 38.507 4 U 7.940e+02 0.00e+00 m 0 0 0 0 0 1923 2.822 0.280 38.507 1 U 5.100e+02 0.00e+00 m 0 500 79 499 0 1924 1.929 6.350 38.507 1 U 7.620e+02 0.00e+00 m 0 501 503 499 0 1925 1.929 7.477 38.507 1 U 1.439e+03 0.00e+00 m 0 501 496 499 0 1926 2.822 6.359 38.507 1 U 1.271e+03 0.00e+00 m 0 500 503 499 0 1927 2.822 7.477 38.507 1 U 6.000e+02 0.00e+00 m 0 500 496 499 0 1928 2.420 2.089 34.422 1 U 1.520e+04 0.00e+00 m 0 546 547 545 0 1929 2.420 1.925 34.422 1 U 6.242e+03 0.00e+00 m 0 546 552 545 0 1932 2.420 4.684 34.422 1 U 4.868e+03 0.00e+00 m 0 546 544 545 0 1933 2.092 1.925 34.422 1 U 1.049e+04 0.00e+00 m 0 547 552 545 0 1934 2.092 1.332 34.422 1 U 8.810e+02 0.00e+00 m 0 547 0 545 0 1935 2.092 2.420 34.422 1 U 1.584e+04 0.00e+00 m 0 547 546 545 0 1936 2.092 3.542 34.422 1 U 2.033e+03 0.00e+00 m 0 547 554 545 0 1937 2.092 4.684 34.422 1 U 4.772e+03 0.00e+00 m 0 547 544 545 0 1938 1.927 1.332 25.358 1 U 1.259e+03 0.00e+00 m 0 552 0 549 0 1939 1.927 0.862 25.358 4 U 7.910e+02 0.00e+00 m 0 0 0 0 0 1940 1.927 2.420 25.358 1 U 5.375e+03 0.00e+00 m 0 552 546 549 0 1942 1.927 4.684 25.358 1 U 1.962e+03 0.00e+00 m 0 552 544 549 0 1943 3.522 2.420 50.283 1 U 1.488e+03 0.00e+00 m 0 554 546 542 0 1944 3.522 2.089 50.283 1 U 1.630e+03 0.00e+00 m 0 554 547 542 0 1945 3.522 1.916 50.283 1 U 6.949e+03 0.00e+00 m 0 554 552 542 0 1946 3.522 1.332 50.283 1 U 8.110e+02 0.00e+00 m 0 554 561 542 0 1947 3.522 4.684 50.283 1 U 1.006e+03 0.00e+00 m 0 554 544 542 0 1948 3.619 4.684 50.283 1 U 9.160e+02 0.00e+00 m 0 553 544 542 0 1949 3.619 2.420 50.283 1 U 1.271e+03 0.00e+00 m 0 553 546 542 0 1950 3.619 1.916 50.283 1 U 6.186e+03 0.00e+00 m 0 553 552 542 0 1951 3.619 2.079 50.283 1 U 1.709e+03 0.00e+00 m 0 553 547 542 0 1952 3.619 1.325 50.283 3 U 7.250e+02 0.00e+00 m 0 553 561 542 0 1953 2.420 8.439 34.422 1 U 1.311e+03 0.00e+00 m 0 546 584 545 0 1954 1.927 8.418 25.358 4 U 7.260e+02 0.00e+00 m 0 0 0 0 0 1955 2.092 8.445 34.422 1 U 1.840e+03 0.00e+00 m 0 547 584 545 0 1956 3.522 4.684 50.283 1 U 1.006e+03 0.00e+00 m 0 554 544 542 0 1957 2.580 1.185 50.280 2 U 9.400e+02 0.00e+00 m 0 580 911 568 0 1958 2.580 2.020 50.280 1 U 2.221e+03 0.00e+00 m 0 580 615 568 0 1959 2.580 1.836 50.280 1 U 2.863e+03 0.00e+00 m 0 580 616 568 0 1960 2.580 3.089 50.280 1 U 1.104e+03 0.00e+00 m 0 580 588 568 0 1961 2.580 3.727 50.280 1 U 3.398e+03 0.00e+00 m 0 580 579 568 0 1962 2.580 4.730 50.280 1 U 2.514e+03 0.00e+00 m 0 580 586 568 0 1964 3.727 3.089 50.280 1 U 1.295e+03 0.00e+00 m 0 579 588 568 0 1966 3.727 2.353 50.280 3 U 8.840e+02 0.00e+00 m 0 579 611 568 0 1967 3.727 2.020 50.280 1 U 2.422e+03 0.00e+00 m 0 579 615 568 0 1968 3.727 1.836 50.280 1 U 2.130e+03 0.00e+00 m 0 579 616 568 0 1969 3.727 1.185 50.280 2 U 4.210e+02 0.00e+00 m 0 579 911 568 0 1971 1.821 1.502 50.283 1 U 1.337e+03 0.00e+00 m 0 412 409 400 0 1972 1.821 1.685 50.283 1 U 2.442e+03 0.00e+00 m 0 412 408 400 0 1973 4.224 3.669 51.200 1 U 2.241e+03 0.00e+00 m 0 618 619 607 0 1974 4.224 3.036 51.200 1 U 7.420e+02 0.00e+00 m 0 618 525 607 0 1976 4.224 2.352 51.200 1 U 1.546e+03 0.00e+00 m 0 618 578 607 0 1977 4.224 2.021 51.200 1 U 1.375e+03 0.00e+00 m 0 618 577 607 0 1978 3.669 3.036 51.200 1 U 1.033e+03 0.00e+00 m 0 619 525 607 0 1979 3.669 2.565 51.200 3 U 7.180e+02 0.00e+00 m 0 619 960 607 0 1980 3.669 2.352 51.200 1 U 1.325e+03 0.00e+00 m 0 619 578 607 0 1981 3.669 2.021 51.200 1 U 1.480e+03 0.00e+00 m 0 619 577 607 0 1982 4.224 0.970 51.200 4 U 5.430e+02 0.00e+00 m 0 0 0 0 0 1983 3.669 4.224 51.200 1 U 2.235e+03 0.00e+00 m 0 619 618 607 0 1984 4.224 5.204 51.200 1 U 1.273e+03 0.00e+00 m 0 618 521 607 0 1985 3.669 5.204 51.200 1 U 1.725e+03 0.00e+00 m 0 619 521 607 0 1986 5.210 5.201 57.081 1 U 3.658e+03 0.00e+00 m 0 521 521 520 0 1987 5.210 3.669 57.081 1 U 1.337e+03 0.00e+00 m 0 521 619 520 0 1990 5.210 7.148 57.081 1 U 1.126e+03 0.00e+00 m 0 521 519 520 0 1991 5.210 7.491 57.081 3 U 1.154e+03 0.00e+00 m 0 521 0 520 0 1992 3.062 3.053 38.630 1 U 1.782e+04 0.00e+00 m 0 525 525 522 0 1993 3.062 7.157 38.630 1 U 1.686e+03 0.00e+00 m 0 525 519 522 0 1994 3.062 7.541 38.630 1 U 8.730e+02 0.00e+00 m 0 525 526 522 0 1995 3.062 4.712 38.630 4 U 6.770e+02 0.00e+00 m 0 0 0 0 0 1996 3.062 4.224 38.630 1 U 4.210e+02 0.00e+00 m 0 525 618 522 0 1997 3.062 3.669 38.630 1 U 6.910e+02 0.00e+00 m 0 525 619 522 0 1998 5.210 3.042 57.081 1 U 1.817e+03 0.00e+00 m 0 521 525 520 0 1999 3.727 4.730 50.280 1 U 2.266e+03 0.00e+00 m 0 579 586 568 0 2002 2.335 8.173 32.247 1 U 1.210e+03 0.00e+00 m 0 611 623 610 0 2003 2.325 7.816 32.247 4 U 7.810e+02 0.00e+00 m 0 0 0 0 0 2004 2.335 7.482 32.247 3 U 5.340e+02 0.00e+00 m 0 611 644 610 0 2005 2.335 4.732 32.247 3 U 8.010e+02 0.00e+00 m 0 611 0 610 0 2006 2.325 1.435 32.247 3 U 8.010e+02 0.00e+00 m 0 611 0 610 0 2007 2.335 1.179 32.247 1 U 1.208e+03 0.00e+00 m 0 611 911 610 0 2008 2.335 0.970 32.247 1 U 1.383e+03 0.00e+00 m 0 611 662 610 0 2009 1.847 1.497 32.247 4 U 2.468e+03 0.00e+00 m 0 0 0 0 0 2010 1.847 1.174 32.247 1 U 2.201e+03 0.00e+00 m 0 612 911 610 0 2011 1.847 0.970 32.247 1 U 1.775e+03 0.00e+00 m 0 612 662 610 0 2012 2.020 2.554 27.300 1 U 2.155e+03 0.00e+00 m 0 615 580 614 0 2014 2.017 1.384 27.300 4 U 9.380e+02 0.00e+00 m 0 0 0 0 0 2015 2.020 1.202 27.300 1 U 1.741e+03 0.00e+00 m 0 615 911 614 0 2016 2.020 0.970 27.300 1 U 1.307e+03 0.00e+00 m 0 615 662 614 0 2018 1.843 2.548 27.300 1 U 2.380e+03 0.00e+00 m 0 616 580 614 0 2021 2.020 4.344 27.300 1 U 2.016e+03 0.00e+00 m 0 615 570 614 0 2022 1.843 4.344 27.300 1 U 1.048e+03 0.00e+00 m 0 616 570 614 0 2023 2.335 4.214 32.247 4 U 1.391e+03 0.00e+00 m 0 0 0 0 0 2024 2.020 4.758 27.300 2 U 1.488e+03 0.00e+00 m 0 615 920 614 0 2025 1.847 4.735 32.247 3 U 4.740e+02 0.00e+00 m 0 612 0 610 0 2026 1.847 7.707 32.247 4 U 2.045e+03 0.00e+00 m 0 0 0 0 0 2027 1.847 8.173 32.247 1 U 8.910e+02 0.00e+00 m 0 612 623 610 0 2028 1.847 8.546 32.247 4 U 8.800e+02 0.00e+00 m 0 0 0 0 0 2029 4.222 8.654 51.200 4 U 6.570e+02 0.00e+00 m 0 0 0 0 0 2030 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0.00e+00 m 0 166 180 165 0 2629 2.674 6.642 40.194 3 U 1.806e+03 0.00e+00 m 0 0 0 0 0 2630 2.674 8.152 40.194 3 U 2.675e+03 0.00e+00 m 0 160 155 158 0 2631 2.674 8.314 40.194 3 U 2.414e+03 0.00e+00 m 0 160 180 158 0 2632 3.196 6.642 40.194 3 U 2.116e+03 0.00e+00 m 0 159 642 158 0 2633 3.196 7.275 40.194 3 U 1.636e+03 0.00e+00 m 0 159 641 158 0 2634 3.196 8.143 40.194 3 U 1.417e+03 0.00e+00 m 0 159 155 158 0 2635 3.196 8.314 40.194 3 U 2.448e+03 0.00e+00 m 0 159 180 158 0 2637 3.192 0.987 43.819 3 U 5.150e+03 0.00e+00 m 0 825 732 824 0 2642 3.109 7.980 43.809 3 U 1.351e+03 0.00e+00 m 0 826 799 824 0 2643 3.192 4.804 43.819 4 U 1.937e+03 0.00e+00 m 0 0 0 0 0 2644 3.192 6.527 43.819 3 U 2.534e+03 0.00e+00 m 0 825 795 824 0 2645 3.192 7.489 43.819 3 U 1.478e+03 0.00e+00 m 0 825 794 824 0 2646 3.192 7.966 43.819 3 U 1.846e+03 0.00e+00 m 0 825 813 824 0 2648 1.677 1.677 31.837 1 U 4.545e+05 0.00e+00 m 0 818 818 816 0 2649 1.725 0.979 31.747 4 U 1.191e+04 0.00e+00 m 0 0 0 0 0 2650 1.677 0.979 31.837 4 U 1.256e+04 0.00e+00 m 0 0 0 0 0 2651 1.677 1.299 31.837 3 U 4.081e+04 0.00e+00 m 0 0 0 0 0 2652 1.677 1.545 31.837 3 U 8.471e+04 0.00e+00 m 0 818 823 816 0 2653 1.725 1.545 31.747 3 U 7.599e+04 0.00e+00 m 0 817 823 816 0 2654 1.725 1.303 31.747 3 U 2.922e+04 0.00e+00 m 0 0 0 0 0 2655 1.725 3.192 31.747 1 U 6.998e+03 0.00e+00 m 0 817 825 816 0 2656 1.677 3.192 31.837 1 U 7.317e+03 0.00e+00 m 0 818 825 816 0 2657 1.725 4.205 31.747 1 U 1.348e+04 0.00e+00 m 0 817 815 816 0 2658 1.677 4.209 31.837 1 U 1.383e+04 0.00e+00 m 0 818 815 816 0 2660 3.110 3.110 43.819 1 U 1.928e+06 0.00e+00 m 0 826 826 824 0 2661 3.110 3.192 43.819 1 U 1.335e+06 0.00e+00 m 0 826 825 824 0 2662 3.192 3.107 43.819 1 U 3.286e+05 0.00e+00 m 0 825 826 824 0 2663 3.110 1.725 43.819 1 U 3.000e+04 0.00e+00 m 0 826 817 824 0 2664 3.110 1.540 43.819 1 U 5.999e+04 0.00e+00 m 0 826 823 824 0 2665 3.110 0.992 43.819 3 U 5.318e+03 0.00e+00 m 0 826 732 824 0 2666 3.110 0.874 43.819 3 U 5.166e+03 0.00e+00 m 0 826 864 824 0 2667 3.192 0.874 43.819 3 U 4.056e+03 0.00e+00 m 0 825 864 824 0 2668 3.110 4.195 43.819 3 U 7.280e+02 0.00e+00 m 0 826 815 824 0 2669 3.110 4.801 43.819 4 U 2.534e+03 0.00e+00 m 0 0 0 0 0 2670 3.110 6.530 43.819 3 U 2.178e+03 0.00e+00 m 0 826 795 824 0 2671 4.257 4.805 56.104 4 U 6.122e+03 0.00e+00 m 0 0 0 0 0 2672 4.257 8.145 56.104 3 U 6.821e+03 0.00e+00 m 0 129 127 128 0 2673 2.880 4.522 38.956 1 U 2.018e+04 0.00e+00 m 0 0 0 0 0 2674 3.022 6.794 38.956 3 U 2.787e+03 0.00e+00 m 0 108 112 107 0 2675 3.022 7.076 38.956 3 U 1.911e+04 0.00e+00 m 0 108 111 107 0 2676 2.880 7.076 38.956 3 U 1.754e+04 0.00e+00 m 0 109 111 107 0 2677 2.880 6.800 38.956 3 U 2.582e+03 0.00e+00 m 0 109 112 107 0 2678 4.356 8.041 58.433 3 U 2.558e+03 0.00e+00 m 0 96 104 95 0 2679 4.330 8.187 55.388 3 U 1.869e+03 0.00e+00 m 0 74 0 73 0 2680 4.330 7.586 55.388 4 U 1.650e+03 0.00e+00 m 0 0 0 0 0 2681 4.417 8.332 58.148 3 U 3.293e+03 0.00e+00 m 0 64 62 63 0 2682 4.067 8.323 62.495 3 U 5.190e+03 0.00e+00 m 0 46 62 45 0 2683 1.683 1.205 29.883 4 U 2.818e+04 0.00e+00 m 0 0 0 0 0 2684 1.683 2.840 29.883 3 U 1.520e+04 0.00e+00 m 0 759 762 756 0 2685 1.683 4.945 29.883 3 U 8.635e+03 0.00e+00 m 0 759 373 756 0 2686 1.683 8.482 29.883 3 U 3.418e+03 0.00e+00 m 0 759 745 756 0 2687 2.173 7.903 29.896 3 U 8.941e+03 0.00e+00 m 0 1074 1084 1073 0 2688 2.173 8.049 29.896 3 U 1.367e+04 0.00e+00 m 0 1074 1070 1073 0 2689 2.060 7.909 29.896 3 U 2.722e+04 0.00e+00 m 0 1134 1129 1132 0 2690 2.060 8.060 29.896 3 U 1.745e+04 0.00e+00 m 0 1075 1070 1073 0 2691 2.055 2.055 29.708 1 U 2.142e+05 0.00e+00 m 0 1134 1134 1132 0 2692 2.121 2.121 29.708 1 U 1.507e+05 0.00e+00 m 0 1133 1133 1132 0 2693 2.121 2.055 29.708 1 U 1.307e+05 0.00e+00 m 0 1133 0 1132 0 2694 2.055 2.121 29.708 1 U 2.345e+05 0.00e+00 m 0 1134 0 1132 0 2695 2.055 2.239 29.708 1 U 7.672e+04 0.00e+00 m 0 0 0 0 0 2696 2.121 2.239 29.708 1 U 3.554e+04 0.00e+00 m 0 0 0 0 0 2697 2.121 2.395 29.708 1 U 1.416e+04 0.00e+00 m 0 0 0 0 0 2698 2.055 2.397 29.708 1 U 2.349e+04 0.00e+00 m 0 0 0 0 0 2699 2.121 3.994 29.708 1 U 9.441e+03 0.00e+00 m 0 1133 1131 1132 0 2700 2.055 3.994 29.708 1 U 1.359e+04 0.00e+00 m 0 1134 1131 1132 0 2701 2.121 7.598 29.708 3 U 3.004e+03 0.00e+00 m 0 1133 1143 1132 0 2702 2.055 7.593 29.708 3 U 3.897e+03 0.00e+00 m 0 1134 1143 1132 0 2703 2.055 7.918 29.708 3 U 1.340e+04 0.00e+00 m 0 0 0 0 0 2704 2.121 7.913 29.708 3 U 8.953e+03 0.00e+00 m 0 1133 1129 1132 0 2705 2.187 7.538 35.396 4 U 2.659e+03 0.00e+00 m 0 0 0 0 0 2706 2.187 8.661 35.396 3 U 3.749e+03 0.00e+00 m 0 849 841 848 0 2707 2.187 9.026 35.396 4 U 6.009e+03 0.00e+00 m 0 0 0 0 0 2708 2.095 7.538 35.396 4 U 2.562e+03 0.00e+00 m 0 0 0 0 0 2709 2.095 8.667 35.396 3 U 3.658e+03 0.00e+00 m 0 850 841 848 0 2710 2.095 9.033 35.396 3 U 5.873e+03 0.00e+00 m 0 850 859 848 0 2711 2.394 4.591 36.691 4 U 2.550e+03 0.00e+00 m 0 0 0 0 0 2712 2.394 7.622 36.691 4 U 2.582e+03 0.00e+00 m 0 0 0 0 0 2713 2.394 7.893 36.691 3 U 8.248e+03 0.00e+00 m 0 1137 1129 1136 0 2714 2.394 8.056 36.691 3 U 1.200e+04 0.00e+00 m 0 1078 1070 1077 0 2715 2.217 4.609 36.691 3 U 2.320e+03 0.00e+00 m 0 1079 1009 1077 0 2716 2.217 8.054 36.691 3 U 9.271e+03 0.00e+00 m 0 0 0 0 0 2717 4.079 7.903 59.152 3 U 5.977e+03 0.00e+00 m 0 1072 1084 1071 0 2718 4.079 8.050 59.152 3 U 1.051e+04 0.00e+00 m 0 1072 1070 1071 0 2719 1.725 8.008 31.747 4 U 1.274e+04 0.00e+00 m 0 0 0 0 0 2720 1.677 8.016 31.837 4 U 1.468e+04 0.00e+00 m 0 0 0 0 0 2721 1.677 8.658 31.837 3 U 4.957e+03 0.00e+00 m 0 818 841 816 0 2722 1.725 8.665 31.747 3 U 4.772e+03 0.00e+00 m 0 817 841 816 0 2723 0.757 8.488 22.981 3 U 1.109e+04 0.00e+00 m 0 733 745 738 0 2724 0.757 9.009 22.981 3 U 9.100e+03 0.00e+00 m 0 733 723 738 0 2725 0.757 9.292 22.981 4 U 5.061e+03 0.00e+00 m 0 0 0 0 0 2726 0.794 6.762 23.237 3 U 6.516e+03 0.00e+00 m 0 1117 1092 1122 0 2727 0.794 7.060 23.237 3 U 1.158e+04 0.00e+00 m 0 1117 1091 1122 0 2728 0.794 7.893 23.237 3 U 4.749e+03 0.00e+00 m 0 1117 1129 1122 0 2729 0.794 8.458 23.237 3 U 7.453e+03 0.00e+00 m 0 1117 1107 1122 0 2730 3.792 3.792 63.870 1 U 2.254e+06 0.00e+00 m 0 68 68 65 0 2731 2.674 7.275 40.194 1 U 1.395e+03 0.00e+00 m 0 0 0 0 0 2732 4.428 8.292 63.167 1 U 1.663e+04 0.00e+00 m 0 30 44 29 0 2733 0.845 4.740 62.223 1 U -5.977e+03 0.00e+00 m 0 682 648 674 0 2734 0.845 4.608 62.223 1 U -4.414e+03 0.00e+00 m 0 682 489 674 0 2735 0.845 5.638 62.223 1 U -3.516e+03 0.00e+00 m 0 682 879 674 0 2736 0.845 8.836 62.223 1 U -2.012e+04 0.00e+00 m 0 682 667 674 0 2737 0.845 9.038 62.223 1 U -8.941e+03 0.00e+00 m 0 682 461 674 0 2738 0.845 9.308 62.223 1 U -6.371e+03 0.00e+00 m 0 682 685 674 0 2739 2.669 7.610 39.091 1 U 3.377e+03 0.00e+00 m 0 804 808 802 0 2740 2.669 7.965 39.091 1 U 2.811e+03 0.00e+00 m 0 804 0 802 0 2741 4.197 7.586 57.084 1 U 3.863e+03 0.00e+00 m 0 815 808 814 0 2742 3.699 0.846 44.682 1 U 2.502e+03 0.00e+00 m 0 0 0 0 0 2743 0.630 9.316 54.580 1 U -1.812e+03 0.00e+00 m 0 900 685 901 0 2747 2.630 7.171 42.361 1 U 2.598e+03 0.00e+00 m 0 0 0 0 0 2748 2.630 6.984 42.361 1 U 1.854e+03 0.00e+00 m 0 0 0 0 0 2749 2.630 8.060 42.361 1 U 1.917e+03 0.00e+00 m 0 911 933 910 0 2750 1.689 7.173 31.649 1 U 2.439e+03 0.00e+00 m 0 939 0 936 0 2751 3.916 6.362 60.116 1 U 1.778e+03 0.00e+00 m 0 983 0 982 0 2752 3.916 8.050 60.116 1 U 2.002e+03 0.00e+00 m 0 983 1070 982 0 2753 3.916 8.805 60.116 1 U 1.974e+03 0.00e+00 m 0 983 981 982 0 2754 3.606 2.656 27.954 1 U 2.391e+03 0.00e+00 m 0 1011 0 1010 0 2755 0.077 6.357 53.391 1 U -3.076e+03 0.00e+00 m 0 1045 1031 1046 0 2757 0.077 7.138 53.391 1 U -2.278e+03 0.00e+00 m 0 1045 959 1046 0 2760 3.814 1.492 59.663 1 U 1.622e+04 0.00e+00 m 0 1054 0 1053 0 2762 3.272 0.090 38.956 1 U 3.072e+03 0.00e+00 m 0 1090 1045 1087 0 2767 1.185 6.767 60.516 1 U -4.777e+03 0.00e+00 m 0 1172 1092 1173 0 2768 1.185 7.074 60.516 1 U -2.904e+03 0.00e+00 m 0 1172 1091 1173 0 2769 1.185 7.613 60.516 1 U -1.548e+03 0.00e+00 m 0 1172 0 1173 0 2770 1.185 7.942 60.516 1 U -3.145e+04 0.00e+00 m 0 1172 1169 1173 0 2771 2.265 0.831 32.484 1 U 1.112e+04 0.00e+00 m 0 168 0 167 0 2773 1.563 7.869 42.488 1 U 1.014e+04 0.00e+00 m 0 610 0 609 0 2774 2.674 2.882 40.194 1 U 7.533e+03 0.00e+00 m 0 160 592 158 0 2775 3.196 2.882 40.194 1 U 6.925e+03 0.00e+00 m 0 159 592 158 0 2776 2.755 7.084 38.122 1 U 9.810e+02 0.00e+00 m 0 0 0 0 0 2777 2.701 7.082 38.122 1 U 9.400e+02 0.00e+00 m 0 0 0 0 0 # Number of dimensions 3 #INAME 1 1H #INAME 2 1H #INAME 3 13C 6 1.553 1.557 25.042 1 U 5.788e+05 0.00e+00 m 0 989 989 988 0 8 0.783 0.783 25.366 1 U 1.308e+06 0.00e+00 m 0 616 616 621 0 11 1.373 1.377 24.819 1 U 1.590e+06 0.00e+00 m 0 1225 1225 1222 0 12 0.823 0.828 25.366 1 U -2.847e+06 0.00e+00 m 0 91 91 83 0 15 1.292 1.296 24.761 1 U 1.181e+06 0.00e+00 m 0 475 475 472 0 18 1.490 1.494 25.042 1 U 6.684e+05 0.00e+00 m 0 990 990 988 0 21 1.131 1.135 24.674 1 U 2.523e+05 0.00e+00 m 0 413 413 410 0 24 0.768 0.783 24.072 1 U 2.641e+06 0.00e+00 m 0 527 527 519 0 26 1.281 1.285 65.552 4 U 9.279e+05 0.00e+00 m 0 0 0 0 0 30 0.840 0.844 65.275 4 U -1.926e+06 0.00e+00 m 0 0 0 0 0 31 1.275 1.279 23.800 1 U 1.320e+06 0.00e+00 m 0 688 688 689 0 38 4.288 4.292 23.425 1 U -3.342e+05 0.00e+00 m 0 166 166 165 0 45 0.150 0.154 64.922 4 U 5.800e+01 0.00e+00 m 0 0 0 0 0 47 3.799 3.803 64.797 4 U -3.036e+04 0.00e+00 m 0 0 0 0 0 48 0.977 0.981 23.386 1 U 2.528e+06 0.00e+00 m 0 969 969 974 0 49 3.850 3.854 64.666 4 U -5.934e+05 0.00e+00 m 0 0 0 0 0 50 3.798 3.802 64.531 4 U -4.093e+05 0.00e+00 m 0 0 0 0 0 51 4.221 4.225 64.445 1 U -2.283e+05 0.00e+00 m 0 559 559 558 0 52 0.757 0.761 22.981 1 U 1.664e+06 0.00e+00 m 0 733 733 738 0 53 0.990 0.994 64.325 4 U 5.187e+04 0.00e+00 m 0 0 0 0 0 54 0.812 0.816 64.265 4 U 6.623e+05 0.00e+00 m 0 0 0 0 0 55 4.817 4.821 64.174 4 U -9.970e+02 0.00e+00 m 0 0 0 0 0 56 4.754 4.758 64.205 4 U -5.400e+02 0.00e+00 m 0 0 0 0 0 57 3.823 3.827 64.171 3 U 2.315e+06 0.00e+00 m 0 68 68 65 0 58 3.644 3.648 64.177 4 U -2.465e+05 0.00e+00 m 0 0 0 0 0 60 1.238 1.242 64.039 3 U 3.178e+05 0.00e+00 m 0 549 549 551 0 62 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