#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 6
_Spectral_peak_list.Experiment_name '3D HN(COCA)CB'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignments w1 w2 w3 Data Heights
?-?-? 7.358 115.667 7.358 5002081.678081
?-?-? 7.344 117.740 7.344 4480010.717853
?-?-? 7.076 112.969 7.076 4176214.447462
?-?-? 7.129 124.298 7.129 4126910.989320
?-?-? 6.928 115.445 6.928 4075475.342800
?-?-? 7.078 118.793 7.078 3544518.786605
?-?-? 7.144 116.567 7.144 3206697.120457
?-?-? 7.066 116.187 7.066 3200304.723141
?-?-? 7.069 102.934 7.069 3128588.005194
?-?-? 7.214 122.346 7.214 2931350.091692
?-?-? 7.030 118.204 8.067 937654.049689
?-?-? 7.162 116.297 8.181 738558.025055
?-?-? 7.388 120.544 7.946 155445.043506
?-?-? 7.139 116.307 7.930 47205.160738
?-?-? 7.353 117.944 9.280 42246.156551
?-?-? 6.932 116.173 8.120 41082.621836
?-?-? 7.230 123.930 9.142 35660.339846
?-?-? 7.078 116.493 8.089 32687.109829
?-?-? 7.222 116.807 8.046 965973.658053
?-?-? 7.056 115.666 7.362 918889.681276
?-?-? 7.390 118.848 7.081 595617.632217
?-?-? 7.213 124.077 8.455 411214.228831
?-?-? 7.079 119.225 7.422 294074.686720
?-?-? 7.066 112.838 6.957 271342.242096
?-?-? 7.357 117.630 7.180 211940.108611
?-?-? 7.089 102.971 6.956 199686.084482
?-?-? 7.067 118.731 6.927 186352.237057
?-?-? 7.200 121.685 8.439 163010.122067
?-?-? 7.364 115.676 7.197 159560.252052
?-?-? 7.329 117.672 7.064 157246.593430
?-?-? 7.108 124.396 6.939 157236.432649
?-?-? 7.392 118.256 8.066 136596.485881
?-?-? 7.374 118.469 6.917 117453.098766
?-?-? 7.224 122.577 6.935 115223.527905
?-?-? 7.053 118.061 8.567 101018.704706
?-?-? 7.050 119.180 7.852 93851.118285
?-?-? 6.851 115.897 7.975 93595.818877
?-?-? 7.275 115.733 7.655 91667.496893
?-?-? 7.012 119.011 7.972 84139.331858
?-?-? 7.233 124.647 8.287 81708.692988
?-?-? 7.184 122.205 8.746 81537.294894
?-?-? 7.388 120.568 8.192 78246.375829
?-?-? 7.340 118.886 8.313 77867.646245
?-?-? 7.121 119.295 8.374 72743.975905
?-?-? 7.204 124.572 8.381 68940.327901
?-?-? 7.110 115.618 7.651 68594.410291
?-?-? 7.347 117.824 9.164 51878.227535
?-?-? 7.135 121.663 7.746 47196.722193
?-?-? 7.366 118.211 8.850 46168.212060
?-?-? 7.086 118.939 7.733 45161.671797
?-?-? 7.097 124.322 8.903 44851.596382
?-?-? 7.050 118.670 9.033 44597.397686
?-?-? 7.230 122.939 8.155 41481.793597
?-?-? 7.088 113.129 8.815 41261.790258
?-?-? 7.377 118.343 8.279 40937.362372
?-?-? 7.360 118.495 8.516 40590.160666
?-?-? 7.023 118.735 8.882 40406.289370
?-?-? 7.062 118.875 9.245 40251.158025
?-?-? 7.065 118.655 8.192 39612.165048
?-?-? 7.389 117.321 8.466 38780.788956
?-?-? 7.074 118.448 8.431 38204.904315
?-?-? 7.181 124.605 9.272 37684.793867
?-?-? 7.184 124.325 9.047 37564.219976
?-?-? 7.295 117.651 8.179 36650.172152
?-?-? 7.343 118.463 9.083 36644.619192
?-?-? 7.141 102.903 9.174 36062.363375
?-?-? 6.989 115.741 9.223 35999.223584
?-?-? 7.037 118.805 9.142 35751.167161
?-?-? 7.142 121.740 8.520 35680.521438
?-?-? 7.157 121.665 8.964 35496.731569
?-?-? 7.389 118.125 8.964 34819.974266
?-?-? 7.367 115.190 9.118 34800.910296
?-?-? 6.921 116.187 8.733 34596.029428
?-?-? 7.321 117.888 8.432 34373.487281
?-?-? 7.223 124.387 8.697 34344.911138
?-?-? 7.103 119.010 8.803 34128.657335
?-?-? 7.061 113.570 9.202 33796.882124
?-?-? 7.383 118.454 9.343 33469.916781
?-?-? 7.131 121.777 9.170 33292.673565
?-?-? 7.176 123.736 7.934 32732.370625
?-?-? 6.991 113.555 9.028 32620.915160
?-?-? 7.015 113.044 8.336 32212.287783
?-?-? 7.198 124.805 8.671 32086.873853
?-?-? 6.968 116.716 8.998 32013.670608
?-?-? 7.034 113.288 8.576 31882.597517
?-?-? 7.391 120.693 8.891 31034.099341
?-?-? 7.082 112.567 9.011 30971.891729
?-?-? 7.201 116.371 8.576 29372.164134
?-?-? 6.912 116.049 8.883 29011.326058
?-?-? 7.070 116.228 9.168 29001.173760
?-?-? 7.055 116.743 8.534 28440.590493
?-?-? 6.935 114.917 9.047 28402.040638
?-?-? 7.111 116.648 8.921 27434.462023
?-?-? 7.193 124.815 8.146 27051.451426
?-?-? 7.185 116.136 9.060 25233.610205
?-?-? 7.322 116.002 8.472 25022.699705
?-?-? 7.126 122.170 8.544 24216.849849
?-?-? 7.051 113.072 8.259 23503.095979
?-?-? 7.046 116.724 8.774 23169.634387
?-?-? 7.055 113.068 8.431 21748.154265
?-?-? 7.385 120.530 8.513 21262.920622
?-?-? 7.207 124.202 8.549 20871.561875
?-?-? 7.139 115.866 8.397 19610.550984
?-?-? 6.999 113.440 7.915 19436.509498
?-?-? 7.388 115.575 8.614 19357.653942
?-?-? 6.922 115.596 8.548 19334.993317
?-?-? 6.838 116.085 8.475 16952.347524
?-?-? 6.997 112.997 8.132 12078.551883
?-?-? 7.914 128.277 7.914 15759230.165973
?-?-? 8.089 121.062 8.089 9310516.024213
?-?-? 8.071 115.210 8.071 7287790.265950
?-?-? 7.779 121.881 7.779 6329527.899549
?-?-? 8.147 121.855 8.147 6077812.491148
?-?-? 7.945 120.645 7.945 5925873.676395
?-?-? 7.417 119.016 7.417 5631669.666839
?-?-? 8.162 117.010 8.162 5024343.487084
?-?-? 7.464 120.052 7.464 4915242.143610
?-?-? 8.177 116.303 8.177 4404752.087944
?-?-? 7.595 114.491 7.595 4143613.928212
?-?-? 8.067 115.596 8.067 3764258.515379
?-?-? 7.967 119.741 7.967 3552996.012726
?-?-? 7.630 119.501 7.630 3410073.333235
?-?-? 8.182 120.148 8.182 3015181.057143
?-?-? 7.645 115.705 7.645 2936255.992921
?-?-? 7.972 115.810 7.972 2912316.226746
?-?-? 7.874 109.174 7.874 2907830.448013
?-?-? 7.906 111.842 7.906 2496850.100064
?-?-? 8.029 122.922 8.029 2495814.689600
?-?-? 7.842 119.308 7.842 2436313.450814
?-?-? 7.730 118.571 7.730 2402120.725262
?-?-? 7.723 117.475 7.723 2390108.619610
?-?-? 8.036 116.793 8.036 2340714.165516
?-?-? 7.918 106.997 7.918 2207466.906070
?-?-? 8.058 118.152 8.058 1864878.668620
?-?-? 8.175 121.130 8.175 1062933.420961
?-?-? 8.072 120.076 8.072 1014397.000000
?-?-? 8.072 121.737 8.438 936450.994049
?-?-? 8.185 116.589 7.155 813646.945604
?-?-? 8.061 118.774 7.082 634498.311378
?-?-? 7.633 118.870 8.602 607014.378221
?-?-? 8.047 114.514 9.014 374975.535624
?-?-? 8.010 120.593 7.805 324997.943193
?-?-? 7.706 118.161 7.637 249763.194680
?-?-? 8.096 117.035 7.727 244367.890067
?-?-? 7.443 119.607 7.292 225347.055729
?-?-? 8.008 120.664 7.663 188510.115133
?-?-? 8.078 115.354 7.646 187002.187289
?-?-? 7.913 120.344 8.262 166120.663530
?-?-? 7.412 115.876 7.050 127038.085662
?-?-? 7.783 122.009 7.434 103924.561493
?-?-? 8.111 118.678 6.970 93051.690303
?-?-? 8.090 122.213 7.111 87902.731370
?-?-? 8.056 116.903 7.270 84570.450359
?-?-? 7.919 111.521 7.081 75569.308883
?-?-? 7.702 118.187 6.854 63814.673891
?-?-? 7.933 106.919 7.057 56516.165881
?-?-? 7.984 116.123 9.048 50694.610733
?-?-? 7.881 115.847 8.634 42262.603990
?-?-? 7.442 118.276 9.121 41857.400000
?-?-? 7.660 119.694 8.139 41481.066934
?-?-? 8.025 119.633 8.573 40099.748371
?-?-? 7.937 109.103 8.293 26852.609621
?-?-? 7.911 119.010 8.639 25163.855763
?-?-? 8.010 119.189 8.373 1319012.726240
?-?-? 7.975 116.207 7.070 1124513.976426
?-?-? 8.122 118.082 8.570 1038686.923975
?-?-? 7.453 115.869 7.983 1013934.289948
?-?-? 7.985 120.116 7.472 939187.234671
?-?-? 8.048 122.357 7.222 930399.165999
?-?-? 7.677 115.204 8.078 839372.788650
?-?-? 8.134 119.786 8.466 787115.953991
?-?-? 7.746 116.962 8.168 722944.707879
?-?-? 8.140 118.506 7.735 644711.855865
?-?-? 8.055 119.593 7.636 633666.885647
?-?-? 7.891 118.688 8.304 589461.907441
?-?-? 7.753 115.617 7.361 537840.900721
?-?-? 7.717 115.512 6.931 482144.375854
?-?-? 8.067 115.360 6.930 481168.436294
?-?-? 7.916 128.235 7.742 361635.189628
?-?-? 8.075 121.848 8.951 346354.223168
?-?-? 8.041 115.404 7.892 279734.535486
?-?-? 7.704 117.341 7.651 261277.395869
?-?-? 7.925 119.846 7.777 259437.443224
?-?-? 8.198 116.637 8.089 221103.308408
?-?-? 7.998 120.086 7.720 216670.505689
?-?-? 8.030 120.302 7.387 200750.188751
?-?-? 7.791 121.953 7.662 198164.243706
?-?-? 8.103 122.172 7.777 193280.575886
?-?-? 7.661 119.296 8.403 193124.447580
?-?-? 7.919 128.198 7.521 192724.731536
?-?-? 7.701 118.287 8.066 191919.707527
?-?-? 8.048 115.483 7.738 189616.170276
?-?-? 7.888 109.207 7.797 185963.282139
?-?-? 8.048 116.516 6.962 185807.766052
?-?-? 7.902 119.752 7.680 180917.977615
?-?-? 7.669 118.985 7.453 178573.831492
?-?-? 7.583 114.546 7.443 172396.228508
?-?-? 8.088 116.900 7.904 165289.048860
?-?-? 7.914 128.096 7.128 160357.996819
?-?-? 7.918 128.115 7.394 160064.267895
?-?-? 8.009 120.076 7.135 159399.091664
?-?-? 8.060 120.377 7.542 155998.580938
?-?-? 8.181 120.372 7.500 146019.649159
?-?-? 7.690 117.785 7.384 145106.772605
?-?-? 8.113 121.857 7.911 144816.556580
?-?-? 7.902 128.193 7.291 144499.577840
?-?-? 8.079 115.214 7.299 143764.589061
?-?-? 8.003 120.112 7.274 143343.401140
?-?-? 7.486 119.824 7.126 141864.706520
?-?-? 7.591 119.795 8.465 140970.848160
?-?-? 7.785 121.880 8.148 138892.497530
?-?-? 7.925 106.910 7.757 132587.444854
?-?-? 7.898 111.795 7.761 132380.374125
?-?-? 8.123 121.705 7.722 129710.091065
?-?-? 8.069 116.549 6.855 129428.855586
?-?-? 7.601 119.487 7.971 129217.590226
?-?-? 8.078 116.683 7.646 128930.091130
?-?-? 8.045 120.813 7.222 126607.319101
?-?-? 7.674 117.039 8.051 126534.508981
?-?-? 7.405 115.479 6.955 125374.960012
?-?-? 8.084 120.404 6.878 122973.821167
?-?-? 8.079 115.423 7.421 120930.738167
?-?-? 7.792 119.235 7.432 119808.365359
?-?-? 7.784 121.909 7.531 116420.643351
?-?-? 7.560 119.651 7.108 116369.296196
?-?-? 8.068 116.872 7.527 116229.276867
?-?-? 8.053 115.213 7.552 114715.327103
?-?-? 8.098 122.307 8.743 112773.791488
?-?-? 7.926 127.953 6.941 112211.605786
?-?-? 8.036 115.874 7.590 106876.301457
?-?-? 8.091 117.191 7.411 105431.288533
?-?-? 8.025 120.078 7.002 104145.631188
?-?-? 7.883 109.099 7.686 102722.906834
?-?-? 7.762 121.851 7.347 101243.194871
?-?-? 7.724 118.365 7.083 99694.167255
?-?-? 7.767 122.123 7.270 97882.065387
?-?-? 8.091 115.097 7.169 95340.875494
?-?-? 7.682 114.167 6.960 95330.610431
?-?-? 7.777 121.988 7.113 92450.486476
?-?-? 7.619 119.748 6.862 91296.255387
?-?-? 8.061 122.634 7.735 91163.522642
?-?-? 7.605 114.084 7.121 88037.371915
?-?-? 7.702 118.443 7.000 85819.120888
?-?-? 7.697 118.319 8.568 85536.452659
?-?-? 7.704 117.883 7.231 82927.305420
?-?-? 7.636 114.505 7.215 82419.361523
?-?-? 7.789 121.941 7.003 82015.269731
?-?-? 8.050 122.767 7.643 80438.241338
?-?-? 7.679 114.977 7.264 79926.938154
?-?-? 7.497 119.202 7.852 79876.655295
?-?-? 7.946 107.056 7.536 79644.995719
?-?-? 7.441 120.043 7.001 79231.784690
?-?-? 8.093 121.485 7.469 75797.877464
?-?-? 7.912 111.642 7.542 75380.223811
?-?-? 8.120 121.865 7.609 75118.588350
?-?-? 8.064 122.903 8.446 73563.441863
?-?-? 8.104 122.399 6.990 72915.133067
?-?-? 7.712 117.516 8.316 72025.394009
?-?-? 7.932 111.461 7.420 70469.667685
?-?-? 8.032 114.576 9.174 68361.471448
?-?-? 7.788 122.343 8.740 68070.053941
?-?-? 7.705 118.639 7.200 67201.041182
?-?-? 7.937 106.815 7.345 65749.384723
?-?-? 7.880 109.131 7.509 65676.478346
?-?-? 7.681 117.713 7.153 65075.888298
?-?-? 7.870 109.235 7.350 64872.166473
?-?-? 7.613 114.450 9.014 64206.590552
?-?-? 8.065 120.102 9.276 64160.686371
?-?-? 8.070 122.978 7.509 61952.718067
?-?-? 8.192 121.181 9.332 61136.646432
?-?-? 7.925 106.799 6.916 60424.475020
?-?-? 7.867 111.730 7.196 60125.610495
?-?-? 8.103 121.871 7.419 58854.985923
?-?-? 7.935 106.930 7.202 56748.945666
?-?-? 8.014 119.953 9.146 55183.454784
?-?-? 8.116 114.958 8.841 55154.963557
?-?-? 7.794 122.340 8.492 54501.222276
?-?-? 7.985 116.758 8.568 53913.848432
?-?-? 7.902 109.200 7.269 53913.004972
?-?-? 8.118 122.237 7.433 53909.291862
?-?-? 7.920 109.611 8.591 53807.297235
?-?-? 8.062 120.316 8.867 52950.827248
?-?-? 7.654 115.458 7.121 52244.034344
?-?-? 7.857 109.210 6.981 52092.919175
?-?-? 7.906 128.384 9.079 50976.122111
?-?-? 7.959 111.410 9.339 50665.214065
?-?-? 8.136 122.316 9.192 49034.697699
?-?-? 8.093 120.243 9.074 48590.405994
?-?-? 7.877 128.296 9.166 47557.449827
?-?-? 7.898 109.077 7.092 47461.472579
?-?-? 8.109 119.782 8.905 47174.535401
?-?-? 7.975 119.896 8.751 46559.385449
?-?-? 7.884 128.070 9.303 46173.279702
?-?-? 7.824 122.008 9.170 46169.157314
?-?-? 7.904 120.136 9.261 45778.425816
?-?-? 8.030 117.124 8.733 45722.058566
?-?-? 8.093 120.487 9.175 45360.766364
?-?-? 8.057 114.358 9.289 45192.916327
?-?-? 8.066 117.524 7.195 45183.692673
?-?-? 8.073 121.816 9.167 45097.272508
?-?-? 8.123 117.244 9.264 43770.001087
?-?-? 7.907 111.839 6.983 43621.178120
?-?-? 7.904 108.871 8.963 43051.913637
?-?-? 7.914 127.660 8.985 42982.405976
?-?-? 8.180 119.767 8.945 42913.466156
?-?-? 8.196 116.746 9.322 42836.390379
?-?-? 7.672 118.712 8.489 42602.369083
?-?-? 8.145 120.916 8.856 42557.595604
?-?-? 7.687 121.775 8.806 42538.722699
?-?-? 7.875 128.042 8.683 41822.612319
?-?-? 8.078 117.202 9.058 41681.765240
?-?-? 8.057 116.931 8.871 41415.280528
?-?-? 7.986 123.279 7.269 39933.064284
?-?-? 8.120 122.532 9.041 39868.475547
?-?-? 7.781 122.169 8.665 39591.575106
?-?-? 7.576 119.439 8.797 39006.182763
?-?-? 7.727 117.012 8.568 38974.154369
?-?-? 7.807 122.278 9.047 38635.737411
?-?-? 8.099 120.085 9.205 38284.657502
?-?-? 7.565 119.532 8.897 37730.639259
?-?-? 7.920 116.178 9.233 36625.306002
?-?-? 8.009 122.910 9.307 36510.063913
?-?-? 7.763 121.992 8.398 36199.707177
?-?-? 7.933 109.034 9.190 35486.648483
?-?-? 7.996 117.750 8.528 35279.302993
?-?-? 7.644 119.286 8.944 35066.406629
?-?-? 7.994 116.536 8.956 34985.070229
?-?-? 8.051 114.967 9.314 34830.826701
?-?-? 7.665 118.570 9.158 34659.465765
?-?-? 7.903 118.678 8.946 34324.821227
?-?-? 8.134 114.627 8.665 34202.936556
?-?-? 7.678 118.724 8.805 34164.092321
?-?-? 8.138 116.510 8.958 33942.866395
?-?-? 7.833 128.277 8.780 32606.893524
?-?-? 7.954 111.548 8.561 32388.857720
?-?-? 7.934 109.155 9.322 32306.144399
?-?-? 7.904 107.043 8.869 32277.600276
?-?-? 8.199 116.678 9.205 32088.477213
?-?-? 7.494 119.597 9.249 31904.675789
?-?-? 8.073 114.682 8.938 31684.613020
?-?-? 7.905 116.091 8.785 31125.372937
?-?-? 7.402 119.186 8.978 30994.586780
?-?-? 8.193 120.436 9.162 30477.811011
?-?-? 7.814 119.802 9.208 30102.406335
?-?-? 7.924 111.362 9.082 29537.613486
?-?-? 8.145 114.983 8.938 29330.768326
?-?-? 8.144 122.306 9.275 29117.964037
?-?-? 8.108 121.799 8.805 28937.619106
?-?-? 7.722 118.939 8.967 27871.249607
?-?-? 7.450 120.348 9.115 27550.566118
?-?-? 7.415 120.668 8.413 27368.275177
?-?-? 7.733 115.665 8.026 27264.993794
?-?-? 7.655 118.406 8.241 26943.895692
?-?-? 7.893 109.642 8.910 26659.842951
?-?-? 7.678 114.367 9.136 26272.830665
?-?-? 7.880 108.555 8.343 24167.181479
?-?-? 7.419 120.357 8.685 24146.900023
?-?-? 7.410 115.261 8.928 23817.885066
?-?-? 7.822 109.329 8.491 23013.056880
?-?-? 7.677 113.926 8.074 23004.895013
?-?-? 7.965 111.330 8.905 22637.548378
?-?-? 7.467 120.073 8.589 22330.203084
?-?-? 8.012 116.835 8.375 21258.040940
?-?-? 7.967 116.179 8.424 16998.781959
?-?-? 7.428 115.034 8.185 15706.668129
?-?-? 8.059 116.760 8.690 14159.230477
?-?-? 8.076 122.635 8.334 13386.412127
?-?-? 7.696 118.048 8.911 12568.162286
?-?-? 7.628 117.579 9.019 10751.396403
?-?-? 8.087 117.730 8.376 4579.878623
?-?-? 8.285 123.890 8.285 9036401.860589
?-?-? 8.370 119.209 8.370 6061251.004788
?-?-? 8.443 124.053 8.443 4574442.493123
?-?-? 8.736 122.274 8.736 4526243.805020
?-?-? 8.834 121.916 8.834 3713688.669097
?-?-? 8.451 121.310 8.451 3588610.950659
?-?-? 8.505 125.405 8.505 3094546.574143
?-?-? 8.424 121.796 8.424 3082857.696502
?-?-? 8.254 120.429 8.254 2759118.295180
?-?-? 8.307 117.531 8.307 2737245.157543
?-?-? 8.285 122.971 8.285 2451957.233502
?-?-? 8.292 118.595 8.292 2323424.717312
?-?-? 8.486 122.231 8.486 2066472.295752
?-?-? 8.325 129.383 8.325 2042555.917521
?-?-? 8.800 111.329 8.800 1930531.117334
?-?-? 8.941 121.809 8.941 1790248.324145
?-?-? 8.596 124.547 8.596 1738075.516522
?-?-? 8.450 119.724 8.450 1418952.323891
?-?-? 8.589 118.846 8.589 1213826.621944
?-?-? 8.617 117.358 8.617 1170693.736868
?-?-? 8.555 118.052 8.555 1136675.207300
?-?-? 8.338 109.829 8.338 1121776.489045
?-?-? 8.408 105.426 8.408 262338.373514
?-?-? 8.244 122.257 8.244 143670.000000
?-?-? 8.316 110.261 8.316 83019.000000
?-?-? 8.542 120.109 8.164 629154.631997
?-?-? 8.608 119.555 7.636 484833.926582
?-?-? 8.941 115.094 8.078 433740.440981
?-?-? 8.444 121.302 8.090 386134.297391
?-?-? 8.281 123.533 8.198 330586.908315
?-?-? 8.397 121.689 8.337 208397.909837
?-?-? 8.371 118.906 8.096 138601.662592
?-?-? 8.296 123.436 7.976 130202.302730
?-?-? 8.321 117.223 7.077 108707.559897
?-?-? 8.352 119.166 7.827 97976.955674
?-?-? 8.381 123.782 7.162 95226.390269
?-?-? 8.372 119.564 7.921 92629.591945
?-?-? 8.473 124.238 8.106 89671.156453
?-?-? 8.838 111.697 8.964 62542.551987
?-?-? 8.529 124.694 7.930 56566.754503
?-?-? 8.372 109.895 8.198 48479.363671
?-?-? 8.436 110.365 8.487 47393.192694
?-?-? 8.359 129.617 7.222 45288.563092
?-?-? 8.473 125.828 7.373 44604.365334
?-?-? 8.647 117.901 8.163 41036.297466
?-?-? 8.415 109.710 8.082 39601.040591
?-?-? 8.392 105.786 7.952 39260.621558
?-?-? 8.371 123.437 8.605 39038.526145
?-?-? 8.819 111.190 8.403 38972.930363
?-?-? 8.447 105.625 8.773 38374.216398
?-?-? 8.650 117.613 7.851 36408.280890
?-?-? 8.372 110.760 8.150 33325.218607
?-?-? 8.410 119.428 8.898 31669.662473
?-?-? 8.963 114.382 8.730 26547.741181
?-?-? 8.443 120.107 8.089 780033.108076
?-?-? 8.409 121.922 8.840 694616.591006
?-?-? 8.359 120.705 7.964 641630.727576
?-?-? 8.662 122.996 8.306 594629.921358
?-?-? 8.623 119.239 7.852 472974.225442
?-?-? 8.510 121.230 8.173 240229.617478
?-?-? 8.389 122.170 8.742 184549.823696
?-?-? 8.233 119.441 7.857 178044.261378
?-?-? 8.469 119.242 7.425 165583.975312
?-?-? 8.316 123.020 8.070 159374.915191
?-?-? 8.220 115.863 7.653 153096.768296
?-?-? 8.255 124.627 8.609 138685.503311
?-?-? 8.448 121.754 7.804 134402.029206
?-?-? 8.358 118.624 8.182 131857.164908
?-?-? 8.325 123.532 7.873 126426.879170
?-?-? 8.263 117.375 8.627 122502.613453
?-?-? 8.319 123.220 7.786 121684.102401
?-?-? 8.699 117.897 8.308 111462.629829
?-?-? 8.315 123.971 7.854 109568.781380
?-?-? 8.463 121.757 8.127 106437.233821
?-?-? 8.586 124.379 8.273 105215.310820
?-?-? 8.319 123.491 7.516 105025.141249
?-?-? 8.564 118.299 8.470 102444.283522
?-?-? 8.436 119.203 7.351 100787.291970
?-?-? 8.377 119.481 7.683 100691.414609
?-?-? 8.337 123.696 7.681 99923.979786
?-?-? 8.666 118.539 8.293 99373.818027
?-?-? 8.221 118.968 7.392 97503.904311
?-?-? 8.469 122.155 8.012 95838.026432
?-?-? 8.337 123.789 7.064 94996.655031
?-?-? 8.442 121.688 7.664 94492.778143
?-?-? 8.305 118.686 7.112 92094.411851
?-?-? 8.499 124.152 7.145 89072.982827
?-?-? 8.422 121.617 7.900 88952.073055
?-?-? 8.798 121.845 8.423 87197.839892
?-?-? 8.349 123.402 7.281 86705.970509
?-?-? 8.405 119.443 7.545 84901.884188
?-?-? 8.477 124.044 7.278 83946.972319
?-?-? 8.418 119.954 8.308 83501.938664
?-?-? 8.354 129.604 8.216 82465.975107
?-?-? 8.676 117.444 8.046 81173.480321
?-?-? 8.425 121.813 8.956 80959.040706
?-?-? 8.306 123.649 6.981 80533.624915
?-?-? 8.964 121.299 7.954 79536.187051
?-?-? 8.333 123.424 7.401 79024.572149
?-?-? 8.390 123.685 6.886 76496.415422
?-?-? 8.377 121.505 9.199 75592.481702
?-?-? 8.494 125.523 7.090 72678.565454
?-?-? 8.471 125.800 6.901 71580.540426
?-?-? 8.386 121.174 7.415 69823.667959
?-?-? 8.476 121.799 7.250 67165.572205
?-?-? 8.382 117.574 7.377 66419.935278
?-?-? 8.498 124.240 7.455 66159.804797
?-?-? 8.292 123.444 9.047 64601.400223
?-?-? 8.835 111.790 7.016 62432.148270
?-?-? 8.471 125.999 7.293 62428.205971
?-?-? 8.275 123.987 9.020 62312.235600
?-?-? 8.417 119.532 9.245 61957.342953
?-?-? 8.494 124.249 6.939 61889.235450
?-?-? 8.480 125.942 7.625 61673.192520
?-?-? 8.420 119.294 7.032 61559.655983
?-?-? 8.343 109.309 7.782 61037.392846
?-?-? 8.769 111.114 7.422 60465.440866
?-?-? 8.331 129.960 7.941 60288.259081
?-?-? 8.423 110.014 8.282 60070.050021
?-?-? 8.364 118.885 7.185 59806.524804
?-?-? 8.954 121.208 8.118 59160.764670
?-?-? 8.244 118.682 6.901 58821.407210
?-?-? 8.814 111.681 7.594 58383.950705
?-?-? 8.372 109.291 7.419 58126.000293
?-?-? 8.803 111.831 6.917 57917.977244
?-?-? 8.462 125.587 7.187 57789.760500
?-?-? 8.637 117.314 7.145 57656.386455
?-?-? 8.385 119.574 9.123 57334.517882
?-?-? 8.515 125.981 8.383 57113.951460
?-?-? 8.380 118.931 6.861 56899.434210
?-?-? 8.363 106.105 6.916 56705.227894
?-?-? 8.404 109.424 7.597 56624.617521
?-?-? 8.363 119.665 7.228 56321.255128
?-?-? 8.240 122.688 7.261 55834.655677
?-?-? 8.297 124.029 9.347 55761.705592
?-?-? 8.763 122.530 8.152 55374.307389
?-?-? 8.418 109.388 6.925 55091.199632
?-?-? 8.528 117.337 8.446 54781.276753
?-?-? 8.934 114.168 6.974 54623.723509
?-?-? 8.390 105.467 8.324 54564.867388
?-?-? 8.458 121.735 7.154 54415.036540
?-?-? 8.767 110.951 7.283 54262.511906
?-?-? 8.341 118.117 7.815 53771.714360
?-?-? 8.295 118.195 8.819 53287.137511
?-?-? 8.511 125.791 8.221 52941.295047
?-?-? 8.344 106.153 7.278 52812.821829
?-?-? 8.781 111.229 9.087 52369.497189
?-?-? 8.361 129.546 8.081 51617.307919
?-?-? 8.324 123.622 9.184 51562.044307
?-?-? 8.358 105.865 7.091 51472.083075
?-?-? 8.368 118.678 8.000 51106.994549
?-?-? 8.357 117.156 7.724 51042.508426
?-?-? 8.791 110.997 8.293 50905.691773
?-?-? 8.402 119.200 6.959 50760.652508
?-?-? 8.267 118.952 9.072 50603.829102
?-?-? 8.881 122.062 8.191 50388.138965
?-?-? 8.826 111.934 7.755 50178.350851
?-?-? 8.388 109.794 7.625 50149.468800
?-?-? 8.802 111.612 7.845 49502.445991
?-?-? 8.373 129.562 7.561 49288.244859
?-?-? 8.950 114.377 7.358 49218.235928
?-?-? 8.744 110.664 7.199 48415.813146
?-?-? 8.753 110.820 8.179 48354.723365
?-?-? 8.461 126.037 7.826 48233.213929
?-?-? 8.360 123.496 9.306 48130.001785
?-?-? 8.319 109.360 8.163 48030.137921
?-?-? 8.306 105.266 7.481 47965.980984
?-?-? 8.437 121.638 6.926 47559.123656
?-?-? 8.278 123.765 8.802 47539.416324
?-?-? 8.792 111.289 9.281 47371.580823
?-?-? 8.944 113.923 7.145 47066.120158
?-?-? 8.497 125.985 8.028 46920.726564
?-?-? 8.407 105.904 7.536 46783.351474
?-?-? 8.393 105.824 8.076 46437.280223
?-?-? 8.307 117.465 7.564 45999.704208
?-?-? 8.401 109.654 7.279 45894.009454
?-?-? 8.965 121.797 7.803 45362.949453
?-?-? 8.434 109.724 7.105 45360.432061
?-?-? 8.402 129.926 7.760 45050.193896
?-?-? 8.861 111.563 8.123 45035.398881
?-?-? 8.512 117.828 8.404 44593.394552
?-?-? 8.356 129.355 6.942 44415.478225
?-?-? 8.819 111.550 7.959 44076.108117
?-?-? 8.356 129.840 7.485 43358.799912
?-?-? 8.711 117.752 7.625 43235.951561
?-?-? 8.399 109.987 7.002 43128.890652
?-?-? 8.580 124.541 9.211 42798.235462
?-?-? 8.389 129.579 7.371 42731.559535
?-?-? 8.484 125.889 7.445 42503.868296
?-?-? 8.423 110.221 9.060 42181.949268
?-?-? 8.356 110.816 9.032 42081.520670
?-?-? 8.968 114.221 7.828 42057.755282
?-?-? 8.368 105.621 7.773 41944.506419
?-?-? 8.385 110.160 7.663 40759.320533
?-?-? 8.364 120.234 8.938 40566.413014
?-?-? 8.275 110.578 7.945 40518.836741
?-?-? 8.757 110.823 8.491 40302.573403
?-?-? 8.354 118.985 9.047 40267.271248
?-?-? 8.465 122.081 7.377 40129.375000
?-?-? 8.378 129.324 7.098 39625.179089
?-?-? 8.825 121.718 9.162 39532.020796
?-?-? 8.798 111.106 8.618 39295.991005
?-?-? 8.851 121.470 7.250 39270.056882
?-?-? 8.855 121.135 8.267 38979.671188
?-?-? 8.926 121.555 7.602 38261.973022
?-?-? 8.234 118.550 9.301 38209.510014
?-?-? 8.780 121.820 9.241 38204.860287
?-?-? 8.346 105.953 8.261 37633.292377
?-?-? 8.690 117.496 6.897 37067.074449
?-?-? 8.704 117.767 7.426 36954.129873
?-?-? 8.233 116.506 8.876 36910.400897
?-?-? 8.366 110.570 8.949 36763.323738
?-?-? 8.935 114.403 8.389 36677.696219
?-?-? 8.376 106.019 8.607 36617.763535
?-?-? 8.552 124.432 8.955 36571.413333
?-?-? 8.305 110.796 8.768 35882.353731
?-?-? 8.385 118.139 9.117 35824.602221
?-?-? 8.390 110.502 7.964 34794.878252
?-?-? 8.624 117.891 8.957 34711.494044
?-?-? 8.877 122.050 8.041 34486.216318
?-?-? 8.435 110.021 9.219 34469.092276
?-?-? 8.565 124.538 8.823 34388.534693
?-?-? 8.315 106.151 7.597 34284.825407
?-?-? 8.979 114.048 8.273 34056.150034
?-?-? 8.498 125.912 9.005 34025.137356
?-?-? 8.541 125.887 8.144 33923.924459
?-?-? 8.262 119.244 8.767 33677.998049
?-?-? 8.740 121.842 8.601 33518.247774
?-?-? 8.219 120.381 8.778 33359.384204
?-?-? 8.435 109.882 8.542 33327.197756
?-?-? 8.379 110.717 8.410 33243.859983
?-?-? 8.302 120.990 9.279 32959.232038
?-?-? 8.411 105.455 9.027 32100.802869
?-?-? 8.939 114.113 8.179 31978.941238
?-?-? 8.960 121.262 8.411 31778.860798
?-?-? 8.244 109.561 8.641 31473.129158
?-?-? 8.887 121.199 9.212 31444.113734
?-?-? 8.247 118.911 8.931 31421.755445
?-?-? 8.747 121.547 7.835 31078.623644
?-?-? 8.435 105.586 9.191 30983.676535
?-?-? 8.436 110.329 8.874 30975.639095
?-?-? 8.735 122.309 7.967 30473.677950
?-?-? 8.777 121.622 8.212 30435.040020
?-?-? 8.265 109.555 9.224 30316.114988
?-?-? 8.644 118.393 9.026 29934.685115
?-?-? 8.348 105.986 8.925 29454.133434
?-?-? 8.305 110.866 8.563 28492.859385
?-?-? 8.334 119.826 8.868 27434.881413
?-?-? 8.628 118.110 9.201 27402.808635
?-?-? 8.355 123.461 8.700 26688.748202
?-?-? 8.703 122.717 7.078 26198.868200
?-?-? 8.579 117.197 7.967 25869.472670
?-?-? 8.898 121.571 8.541 25682.897602
?-?-? 8.230 118.487 9.195 24533.796340
?-?-? 8.822 122.031 7.519 24047.343370
?-?-? 8.347 129.716 9.327 23582.361330
?-?-? 8.986 113.887 8.787 22541.402484
?-?-? 8.351 129.813 9.142 20772.429730
?-?-? 8.386 110.281 8.734 19905.011650
?-?-? 8.879 121.535 7.173 18548.411203
?-?-? 8.212 118.989 8.672 13198.745670
?-?-? 8.409 117.656 8.677 13138.537779
?-?-? 8.221 120.274 8.613 7015.655603
?-?-? 9.014 114.426 9.014 3901516.833960
?-?-? 9.166 114.348 9.166 1105937.310517
?-?-? 9.180 115.052 7.178 54354.593174
?-?-? 9.223 111.409 7.666 26905.465154
?-?-? 9.046 114.366 9.248 73028.268950
?-?-? 9.155 114.951 6.934 58295.842733
?-?-? 9.036 121.919 7.220 53510.139394
?-?-? 9.163 114.991 7.018 52368.862309
?-?-? 9.162 114.371 9.342 47506.817164
?-?-? 9.119 114.730 7.749 45362.059977
?-?-? 9.195 111.619 7.907 43994.177040
?-?-? 9.039 114.480 7.930 42620.003301
?-?-? 9.195 111.748 8.595 40610.243783
?-?-? 9.103 114.384 8.406 34696.291876
?-?-? 9.038 114.245 8.621 34073.800738
?-?-? 9.018 114.243 8.444 33623.599100
?-?-? 9.164 114.753 8.015 32946.203920
?-?-? 9.134 114.914 8.127 32861.710954
?-?-? 9.204 114.410 7.403 32226.440004
?-?-? 9.196 111.751 8.035 30077.316898
?-?-? 9.174 115.065 8.514 29946.892024
?-?-? 9.124 114.674 8.295 29297.519365
?-?-? 9.225 111.650 8.248 29048.953610
?-?-? 9.213 111.682 8.404 28248.778404
?-?-? 9.073 114.991 7.843 27914.899055
?-?-? 9.222 114.748 8.965 27078.429443
?-?-? 9.236 111.784 8.842 26304.976289
?-?-? 9.158 115.106 8.657 24415.607317
?-?-? 9.264 111.763 8.500 15432.289086
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 15.9408 ppm . . . 12.67046 . . 30927 1
2 . . N 15 N . . 35.000 ppm . . . 134.50580 . . 30927 1
3 . . C 13 C . . 80.0000 ppm . . . 83.00194 . . 30927 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 10
_Spectral_peak_list.Experiment_name '2D 1H-15N HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2
L3N-H 122.223 8.496
G4N-H 109.792 8.349
S5N-H 115.643 8.083
I6N-H 121.862 8.148
D7N-H 123.899 8.285
K8N-H 121.063 8.091
E9N-H 121.795 8.422
T10N-H 115.182 8.094
D12N-H 124.059 8.455
L13N-H 124.519 8.604
L14N-H 115.879 7.995
A15N-H 120.060 7.486
F16N-H 117.708 7.361
T17N-H 111.728 9.297
S18N-H 114.485 7.618
V19N-H 120.507 7.955
A20N-H 121.871 7.792
E21N-H 115.664 7.378
L22N-H 118.803 7.100
E23N-H 118.108 8.070
L24N-H 115.464 6.950
L25N-H 117.454 7.739
G26N-H 102.927 7.064
L27N-H 117.554 8.324
E28N-H 119.364 8.413
K29N-H 121.899 8.845
L30N-H 115.709 7.666
K31N-H 118.578 7.748
C32N-H 117.013 8.177
E33N-H 120.123 8.202
L34N-H 120.104 8.173
M35N-H 118.009 8.572
A36N-H 122.942 8.052
L37N-H 116.186 7.090
G38N-H 107.016 7.939
L39N-H 119.727 7.988
K40N-H 120.346 8.270
C41N-H 118.620 8.307
G42N-H 109.164 7.889
G43N-H 105.419 8.420
T44N-H 111.322 8.813
L45N-H 121.808 8.951
E47N-H 119.538 7.648
R48N-H 118.835 8.606
A49N-H 120.075 8.099
A50N-H 119.186 8.389
R51N-H 120.642 7.974
L52N-H 119.267 7.857
F53N-H 117.384 8.634
S54N-H 111.827 7.927
V55N-H 112.935 7.099
R56N-H 124.279 7.148
G57N-H 114.231 9.171
L58N-H 119.062 7.438
A59N-H 125.359 8.520
K60N-H 122.278 8.739
E61N-H 114.409 9.037
Q62N-H 116.783 8.060
I63N-H 122.345 7.243
D64N-H 129.338 8.325
A66N-H 119.808 8.478
L67N-H 116.314 8.195
F68N-H 116.609 7.170
A69N-H 124.133 8.486
K70N-H 121.130 8.180
L72N-H 123.016 8.307
K73N-H 122.257 8.228
G74N-H 110.261 8.304
K75N-H 121.028 8.100
K76N-H 123.685 8.313
K77N-H 128.547 7.949
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 15.9408 ppm . . . 12.67046 . . 30927 2
2 . . N 15 N . . 35.0000 ppm . . . 134.50580 . . 30927 2
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 11
_Spectral_peak_list.Experiment_name '3D 1H-15N NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3 Data Height
P2CA-L3N-H 63.055 122.237 8.487 295195488
P2CB-L3N-H 32.204 122.237 8.487 188274560
P2CD-L3N-H 49.473 122.237 8.475 32940528
P2CG-L3N-H 26.805 122.237 8.475 128753904
L3CA-G4N-H 55.372 109.829 8.339 188640992
L3CB-G4N-H 42.022 109.829 8.339 203772672
L3CG-G4N-H 26.895 109.829 8.339 22299776
G4CA-S5N-H 45.123 115.593 8.063 842253696
S5CA-I6N-H 58.094 121.862 8.148 -43917760
S5CB-I6N-H 63.856 121.862 8.148 242390064
I6CA-D7N-H 61.190 123.899 8.285 382606848
I6CB-D7N-H 38.754 123.899 8.285 160251104
I6CG1-D7N-H 27.028 123.899 8.280 156291904
I6CG2-D7N-H 17.416 123.899 8.280 104842064
D7CA-K8N-H 54.551 121.069 8.080 155805744
D7CB-K8N-H 40.993 121.031 8.081 677889856
K8CA-E9N-H 56.036 121.806 8.420 303328832
K8CB-E9N-H 33.012 121.832 8.420 331890976
K8CG-E9N-H 24.338 121.791 8.420 147799952
E9CA-T10N-H 56.611 115.207 8.070 317325120
E9CB-T10N-H 30.068 115.259 8.068 218381664
E9CG-T10N-H 36.111 115.215 8.068 183710560
E9CG2-T10N-H 36.111 115.215 8.068 183710560
T10CA-I11N-H 60.035 121.310 8.445 9395632
T10CB-I11N-H 67.752 121.310 8.445 3230736
T10CG2-I11N-H 19.211 121.310 8.445 7227120
I11CA-D12N-H 60.973 124.047 8.439 228780032
I11CB-D12N-H 38.902 124.047 8.448 275573312
I11CG1-D12N-H 26.431 124.047 8.440 55282600
I11CG2-D12N-H 17.044 124.047 8.437 54729200
D12CA-L13N-H 52.571 124.600 8.592 34619088
D12CB-L13N-H 40.183 124.600 8.594 302044416
L13CA-L14N-H 57.324 115.810 7.973 184579000
L13CB-L14N-H 41.933 115.810 7.974 195190176
L14CA-A15N-H 56.293 120.047 7.462 149942000
L14CB-A15N-H 40.291 120.111 7.462 276365760
L14CD1-A15N-H 24.915 120.047 7.465 18104600
L14CG-A15N-H 27.135 120.047 7.465 58996700
A15CA-F16N-H 52.718 117.756 7.342 255895920
A15CB-F16N-H 18.391 117.756 7.343 597312704
F16CA-T17N-H 57.454 111.728 9.289 91527552
F16CB-T17N-H 40.063 111.728 9.287 178772592
T17CA-S18N-H 62.031 114.523 7.597 59143504
T17CB-S18N-H 70.075 114.515 7.597 282666176
T17CG2-S18N-H 21.480 114.546 7.598 87542448
S18CB-V19N-H 66.140 120.433 7.934 268292000
V19CA-A20N-H 65.683 121.866 7.772 338462304
V19CB-A20N-H 31.266 121.875 7.773 95702672
V19CG1-A20N-H 22.348 121.869 7.772 115036624
V19CG2-A20N-H 21.038 121.826 7.773 121469552
A20CA-E21N-H 54.788 115.665 7.355 291136992
A20CB-E21N-H 17.993 115.682 7.355 482344736
E21CA-L22N-H 58.877 118.796 7.076 232148496
E21CB-L22N-H 30.976 118.803 7.076 178627616
E21CG-L22N-H 36.897 118.798 7.075 160965952
E21CG2-L22N-H 36.897 118.798 7.075 160965952
L22CA-E23N-H 56.799 118.151 8.055 123934320
L22CB-E23N-H 42.394 118.151 8.054 204419824
L22CG-E23N-H 27.133 118.102 8.055 44761776
E23CA-L24N-H 59.828 115.467 6.923 252011952
E23CB-L24N-H 29.751 115.459 6.924 157464352
E23CG-L24N-H 37.960 115.479 6.923 121473392
L24CA-L25N-H 56.336 117.462 7.722 145843440
L24CB-L25N-H 41.448 117.479 7.721 255257152
L24CG-L25N-H 26.404 117.496 7.721 60543712
L25CA-G26N-H 56.652 102.986 7.071 150443936
L25CB-G26N-H 41.332 102.951 7.072 224400688
L25CG-G26N-H 27.084 102.964 7.069 56698352
G26CA-L27N-H 44.193 117.517 8.306 470931456
L27CA-E28N-H 59.141 119.373 8.390 195522192
L27CB-E28N-H 43.446 119.382 8.390 212701584
L27CG-E28N-H 27.053 119.325 8.390 28220224
E28CA-K29N-H 59.286 121.878 8.823 221661088
E28CB-K29N-H 28.876 121.936 8.823 113684592
E28CG-K29N-H 35.599 121.895 8.823 134135360
E28CG2-K29N-H 35.599 121.895 8.823 134135360
K29CA-L30N-H 58.527 115.692 7.649 195599408
K29CB-L30N-H 31.474 115.748 7.646 199615184
K29CD-L30N-H 28.534 115.692 7.646 26812800
K29CG-L30N-H 25.575 115.719 7.645 108704832
K29CG2-L30N-H 25.575 115.719 7.645 108704832
L30CA-K31N-H 58.113 118.519 7.729 142840400
L30CB-K31N-H 42.151 118.561 7.728 161452352
L30CG-K31N-H 26.136 118.574 7.728 30106864
K31CA-C32N-H 60.099 117.013 8.159 205318112
K31CB-C32N-H 31.969 116.981 8.159 155153552
K31CD-C32N-H 29.810 117.029 8.159 33435408
K31CG-C32N-H 24.712 117.026 8.158 83390576
C32CA-E33N-H 63.548 120.152 8.185 214741344
C32CB-E33N-H 26.411 120.143 8.184 343971296
E33CA-L34N-H 58.358 120.180 8.155 216039184
E33CB-L34N-H 28.961 120.200 8.154 114027712
E33CG-L34N-H 35.483 120.194 8.156 83899952
L34CA-M35N-H 58.702 118.015 8.553 166460576
L34CB-M35N-H 40.949 118.043 8.553 145314368
M35CA-A36N-H 59.179 122.896 8.028 247602704
M35CB-A36N-H 33.271 122.900 8.028 186953968
M35CG-A36N-H 32.038 122.905 8.027 168980560
M35CG2-A36N-H 32.038 122.905 8.027 168980560
A36CA-L37N-H 54.779 116.229 7.064 260352432
A36CB-L37N-H 17.923 116.226 7.064 434368448
L37CA-G38N-H 54.623 106.990 7.923 58381600
L37CB-G38N-H 44.063 106.990 7.918 148297712
L37CG-G38N-H 26.288 107.048 7.919 40926512
G38CA-L39N-H 45.404 119.753 7.963 493176128
L39CA-K40N-H 53.230 120.473 8.255 47986224
L39CB-K40N-H 43.429 120.398 8.255 146749136
L39CG-K40N-H 26.585 120.420 8.253 85566576
K40CA-C41N-H 58.013 118.626 8.290 138058592
K40CB-C41N-H 32.577 118.630 8.290 142690256
K40CD-C41N-H 29.681 118.595 8.289 25172700
K40CG-C41N-H 25.585 118.595 8.290 73684016
K40CG2-C41N-H 25.593 118.595 8.290 73684016
C41CA-G42N-H 56.773 109.181 7.871 97463520
C41CB-G42N-H 30.279 109.163 7.870 405250368
G42CA-G43N-H 43.495 105.447 8.406 327122880
G43CA-T44N-H 43.270 111.322 8.799 379290000
T44CA-L45N-H 61.386 121.783 8.935 39899744
T44CB-L45N-H 71.228 121.794 8.935 186181040
T44CG2-L45N-H 21.725 121.791 8.934 62847856
L45CA-Q46N-H 59.371 114.995 8.085 25576784
L45CB-Q46N-H 42.143 114.995 8.085 17235888
L45CD-Q46N-H 27.518 114.995 8.085 2011040
L45CG-Q46N-H 33.546 114.995 8.085 -1420160
Q46CA-E47N-H 59.998 119.486 7.626 244745328
Q46CB-E47N-H 27.643 119.553 7.628 133011312
Q46CG-E47N-H 34.496 119.486 7.630 147950800
E47CA-R48N-H 58.938 118.843 8.588 209128816
E47CB-R48N-H 29.616 118.853 8.587 123186960
E47CG-R48N-H 37.162 118.876 8.588 112998176
E47CG2-R48N-H 37.162 118.876 8.588 112998176
R48CA-A49N-H 59.632 120.075 8.079 172168000
R48CB-A49N-H 31.885 120.140 8.078 158731440
R48CD-A49N-H 43.844 120.075 8.075 21475600
R48CG-A49N-H 27.393 120.075 8.077 66336600
A49CA-A50N-H 55.287 119.191 8.362 268621248
A49CB-A50N-H 19.574 119.198 8.362 494891104
A50CA-R51N-H 54.894 120.684 7.953 294046720
A50CB-R51N-H 17.643 120.680 7.953 444481920
R51CA-L52N-H 59.376 119.288 7.843 210300272
R51CB-L52N-H 29.872 119.306 7.843 143424208
R51CD-L52N-H 44.394 119.313 7.842 19468912
R51CG-L52N-H 27.630 119.338 7.842 80507040
L52CA-F53N-H 56.958 117.331 8.615 127261888
L52CB-F53N-H 41.604 117.349 8.616 152805264
L52CG-F53N-H 26.453 117.353 8.613 41984288
F53CA-S54N-H 62.004 111.892 7.906 193821680
F53CB-S54N-H 39.542 111.876 7.906 291468992
S54CA-V55N-H 61.200 112.974 7.072 -50662160
S54CB-V55N-H 62.759 112.974 7.072 267551840
V55CA-R56N-H 60.070 124.319 7.129 254200320
V55CB-R56N-H 30.380 124.322 7.129 78609344
V55CG1-R56N-H 21.582 124.308 7.130 157649248
V55CG2-R56N-H 18.210 124.293 7.130 94859232
R56CA-G57N-H 57.303 114.306 9.163 134848080
R56CB-G57N-H 30.520 114.297 9.163 100386176
R56CD-G57N-H 44.093 114.410 9.163 19975888
R56CG-G57N-H 26.264 114.392 9.162 57338544
R56CG2-G57N-H 26.264 114.392 9.162 57338544
G57CA-L58N-H 45.499 119.036 7.416 670174656
L58CA-A59N-H 54.042 125.459 8.500 94053888
L58CB-A59N-H 42.218 125.465 8.500 218900576
L58CG-A59N-H 26.363 125.449 8.499 84946720
A59CA-K60N-H 51.109 122.246 8.731 227997840
A59CB-K60N-H 19.275 122.251 8.730 586713728
K60CA-E61N-H 60.231 114.412 9.019 230076704
K60CB-E61N-H 32.016 114.382 9.019 197461488
K60CD-E61N-H 29.226 114.429 9.021 27323600
K60CG-E61N-H 24.826 114.417 9.019 93737280
E61CA-Q62N-H 58.741 116.815 8.038 245822496
E61CB-Q62N-H 28.294 116.827 8.039 169082656
E61CG-Q62N-H 36.513 116.818 8.038 128979456
E61CG2-Q62N-H 36.513 116.818 8.038 128979456
Q62CA-I63N-H 55.486 122.318 7.221 253857456
Q62CB-I63N-H 30.928 122.330 7.221 221529456
Q62CG-I63N-H 34.911 122.320 7.221 239847792
Q62CG2-I63N-H 34.911 122.320 7.221 239847792
I63CA-D64N-H 62.234 129.425 8.313 170520736
I63CB-D64N-H 38.547 129.427 8.313 99598032
I63CD1-D64N-H 13.374 129.341 8.314 20898832
I63CG1-D64N-H 28.808 129.413 8.312 58867376
I63CG2-D64N-H 17.527 129.427 8.312 61627904
P65CA-A66N-H 64.179 119.720 8.454 281871936
P65CB-A66N-H 32.146 119.720 8.448 216264240
P65CG-A66N-H 27.220 119.720 8.447 64150400
A66CA-L67N-H 53.687 116.316 8.182 221737200
A66CB-L67N-H 18.254 116.335 8.182 470496992
L67CA-F68N-H 55.362 116.622 7.147 147696528
L67CB-F68N-H 42.748 116.610 7.146 198717312
L67CG-F68N-H 27.565 116.558 7.147 15081400
F68CA-A69N-H 58.425 124.141 8.451 116731024
F68CB-A69N-H 38.876 124.173 8.448 284511040
A69CA-K70N-H 52.461 121.130 8.163 264867792
A69CB-K70N-H 18.987 121.130 8.164 627582208
P71CA-L72N-H 62.800 122.958 8.293 732035776
P71CB-L72N-H 32.015 122.958 8.294 482270176
P71CD-L72N-H 50.478 122.958 8.293 43297296
P71CG-L72N-H 27.214 122.958 8.293 190336480
K73CA-G74N-H 55.381 110.261 8.331 146608544
K75CA-K76N-H 56.193 123.685 8.334 59636704
K75CB-K76N-H 33.142 123.685 8.335 58558816
K75CG-K76N-H 24.598 123.685 8.335 21161488
K75CG2-K76N-H 24.608 123.685 8.335 21161488
K76CA-K77N-H 56.422 128.277 7.929 308802304
K76CB-K77N-H 32.870 128.277 7.930 319871232
K76CD-K77N-H 28.913 128.277 7.927 25417024
K76CG-K77N-H 24.453 128.277 7.927 129686000
K76CG2-K77N-H 24.443 128.277 7.928 129686000
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 14.0008 ppm . . . 11.76042 . . 30927 3
2 . . N 15 N . . 36.0000 ppm . . . 137.50140 . . 30927 3
3 . . H 1 H . . 14.0008 ppm . . . 11.76042 . . 30927 3
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 7
_Spectral_peak_list.Experiment_name '3D C(CO)NH'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3 Data Height Note
L3H-N-H 8.461 122.237 8.517 198099
L3HA-N-H 4.245 122.198 8.485 4218955
L3HB2-N-H 1.567 122.216 8.485 6368406
L3HB3-N-H 1.567 122.216 8.485 6368406
L3HD21-N-H 0.826 122.185 8.484 1347215
L3HG-N-H 1.567 122.216 8.485 6368406
G4H-N-H 8.301 109.829 8.345 566585
G4HA2-N-H 3.882 109.829 8.343 9687888
G4HA3-N-H 3.884 109.829 8.341 9687888
S5H-N-H 8.066 115.593 8.091 4928670
S5HA-N-H 4.501 115.593 8.079 3487927
S5HB2-N-H 3.768 115.615 8.079 6035083
S5HB3-N-H 3.768 115.615 8.079 6035083
I6H-N-H 8.133 121.862 8.149 1988823
I6HA-N-H 4.133 121.862 8.149 8880474
I6HB-N-H 1.800 121.724 8.146 2739389
D7H-N-H 8.268 123.899 8.293 3027710
D7HA-N-H 4.505 123.899 8.292 4254937
D7HB2-N-H 2.562 123.794 8.289 9272488
D7HB3-N-H 2.562 123.794 8.289 9272488
K8H-N-H 8.051 121.063 8.126 379908
K8HA-N-H 4.244 121.063 8.082 5868931
K8HB2-N-H 1.702 121.063 8.091 5788036
K8HB3-N-H 1.702 121.063 8.095 3757700
K8HE2-N-H 2.903 121.063 8.084 584920
K8HE3-N-H 2.908 121.063 8.087 584920
K8HG2-N-H 1.361 121.063 8.089 2995747
K8HG3-N-H 1.366 121.063 8.087 2648920
E9H-N-H 8.382 121.794 8.457 668967
E9HA-N-H 4.203 121.794 8.435 5017729
E9HB2-N-H 1.914 121.794 8.429 2301537
E9HB3-N-H 1.912 121.794 8.431 2969973
E9HG2-N-H 2.142 121.794 8.435 3112359
E9HG3-N-H 2.138 121.794 8.435 3117717
T10H-N-H 8.062 115.188 8.079 2691644
T10HA-N-H 4.501 115.212 8.084 6347520
T10HB-N-H 3.767 115.207 8.082 4800332
I11H-N-H 8.405 121.310 8.480 138317
I11HA-N-H 4.213 121.310 8.480 238731
I11HB-N-H 1.690 121.310 8.480 10542
I11HG12-N-H 1.392 121.310 8.480 -10214
I11HG13-N-H 1.392 121.310 8.480 -10214
D12H-N-H 8.401 124.047 8.476 3098251
D12HA-N-H 4.693 124.047 8.476 164721
D12HB2-N-H 2.810 124.104 8.448 1034366
D12HB3-N-H 2.485 124.123 8.449 744238
L13H-N-H 8.557 124.545 8.632 105514
L13HA-N-H 4.135 124.517 8.596 632851
L13HB2-N-H 1.813 124.527 8.596 296529
L13HB3-N-H 1.813 124.527 8.596 296529
L14H-N-H 7.924 115.810 7.999 4138850
L14HA-N-H 3.979 115.810 7.999 1716070
L14HB2-N-H 1.907 115.810 7.999 1089309
L14HB3-N-H 1.907 115.810 7.999 1089309
L14HD21-N-H 0.794 115.810 7.999 59242
L14HG-N-H 1.421 115.810 7.999 646358
A15H-N-H 7.460 120.065 7.484 4401489
A15HA-N-H 3.989 120.066 7.485 1397386
A15HB1-N-H 1.134 120.047 7.490 5003249
F16H-N-H 7.333 117.673 7.357 1735832
F16HA-N-H 4.587 117.674 7.357 849655
F16HB2-N-H 3.031 117.675 7.357 1184224
F16HB3-N-H 3.031 117.675 7.357 1184224
T17H-N-H 9.271 111.825 9.300 828048
T17HA-N-H 4.474 111.728 9.305 2114473
S18H-N-H 7.595 114.486 7.620 2169198
S18HA-N-H 4.203 114.484 7.622 4768124
S18HB2-N-H 3.798 114.484 7.622 854921
S18HB3-N-H 3.798 114.484 7.622 854921
V19H-N-H 7.926 120.539 7.976 5624940
A20H-N-H 7.763 121.854 7.785 9273908
A20HA-N-H 3.889 121.859 7.785 570481
A20HB1-N-H 1.237 121.890 7.787 1397753
E21H-N-H 7.349 115.647 7.375 5322129
E21HA-N-H 3.927 115.645 7.375 2199331
E21HG2-N-H 2.276 115.645 7.374 2122019
E21HG3-N-H 2.276 115.645 7.374 2122019
L22H-N-H 7.071 118.790 7.099 3320234
L22HA-N-H 3.843 118.795 7.099 1953577
L22HB2-N-H 1.779 118.793 7.099 1016133
L22HB3-N-H 1.779 118.793 7.099 1016133
L22HG-N-H 1.254 118.791 7.107 514101
E23H-N-H 8.042 118.116 8.068 6883578
L24H-N-H 6.924 115.468 6.950 6191868
L24HA-N-H 3.972 115.467 6.950 1584694
L24HB2-N-H 1.832 115.460 6.950 798367
L24HB3-N-H 1.832 115.460 6.950 798367
L24HG-N-H 1.503 115.454 6.951 390048
L25H-N-H 7.714 117.538 7.737 3951473
L25HA-N-H 4.051 117.492 7.737 1547062
L25HB2-N-H 1.858 117.494 7.736 745570
L25HB3-N-H 1.858 117.494 7.736 745570
L25HG-N-H 1.250 117.457 7.735 307800
G26H-N-H 7.064 102.932 7.092 2683499
G26HA2-N-H 4.355 102.932 7.092 1358034
G26HA3-N-H 3.680 102.931 7.092 1302135
L27H-N-H 8.286 117.568 8.317 6361587
E28H-N-H 8.363 119.389 8.412 4115610
E28HA-N-H 4.030 119.313 8.407 1422960
E28HB2-N-H 1.951 119.339 8.408 789493
E28HB3-N-H 1.951 119.339 8.408 789493
E28HG2-N-H 2.250 119.326 8.408 682775
E28HG3-N-H 2.250 119.326 8.408 682775
K29H-N-H 8.804 121.859 8.835 5305289
K29HA-N-H 4.056 121.860 8.835 952884
K29HB2-N-H 1.667 121.874 8.836 504721
K29HB3-N-H 1.667 121.874 8.836 504721
K29HD2-N-H 1.667 121.874 8.836 504721
K29HD3-N-H 1.667 121.874 8.836 504721
K29HG2-N-H 1.433 121.936 8.836 164229
K29HG3-N-H 1.386 121.936 8.840 125483
L30H-N-H 7.638 115.730 7.666 4202426
L30HA-N-H 3.731 115.717 7.665 937868
L30HB2-N-H 1.659 115.766 7.666 399583
L30HB3-N-H 1.659 115.766 7.666 399583
K31H-N-H 7.727 118.583 7.747 3921505
K31HA-N-H 3.947 118.574 7.751 397565
K31HB2-N-H 2.108 118.574 7.748 158489
K31HB3-N-H 2.108 118.574 7.748 158489
C32H-N-H 8.153 116.956 8.177 5292501
C32HA-N-H 4.019 117.013 8.182 823753
C32HB2-N-H 3.031 117.013 8.176 762344
C32HB3-N-H 3.031 117.013 8.177 762344
E33H-N-H 8.158 120.148 8.195 3671429
E33HA-N-H 4.105 120.148 8.194 1284592
E33HB2-N-H 1.829 120.148 8.196 434870
E33HB3-N-H 1.828 120.148 8.198 434870
L34H-N-H 8.120 120.178 8.165 3383879
L34HA-N-H 4.105 120.178 8.163 333802
L34HB2-N-H 1.878 120.178 8.167 465831
L34HB3-N-H 1.878 120.178 8.168 465831
M35H-N-H 8.538 118.005 8.570 4415306
M35HA-N-H 4.121 118.008 8.570 813556
M35HB2-N-H 2.114 118.003 8.570 345665
M35HB3-N-H 2.114 118.003 8.570 345665
M35HG2-N-H 2.614 118.063 8.571 218130
M35HG3-N-H 2.614 118.063 8.571 218130
A36H-N-H 8.024 122.944 8.050 8260037
A36HA-N-H 4.053 122.978 8.050 787622
L37H-N-H 7.063 116.174 7.092 2221298
L37HA-N-H 4.290 116.183 7.093 1960560
L37HB2-N-H 1.657 116.183 7.093 1371395
L37HB3-N-H 1.657 116.183 7.093 1371395
L37HG-N-H 1.504 116.183 7.093 745256
G38H-N-H 7.912 107.022 7.937 1677735
G38HA2-N-H 4.123 107.017 7.937 957488
G38HA3-N-H 3.832 107.014 7.937 977056
L39H-N-H 7.964 119.740 7.985 1703460
L39HA-N-H 4.641 119.741 7.984 1006258
L39HB2-N-H 1.547 119.740 7.986 701798
L39HB3-N-H 1.545 119.740 7.984 735505
L39HG-N-H 1.146 119.740 7.984 376703
K40H-N-H 8.240 120.345 8.267 3987367
K40HA-N-H 3.983 120.420 8.268 509645
K40HG2-N-H 1.325 120.543 8.266 138858
K40HG3-N-H 1.325 120.543 8.266 138858
C41H-N-H 8.265 118.595 8.302 1030360
C41HA-N-H 4.845 118.595 8.300 1801660
C41HB2-N-H 3.313 118.629 8.301 275355
C41HB3-N-H 2.433 118.491 8.302 276702
G42H-N-H 7.864 109.155 7.883 905376
G42HA2-N-H 4.316 109.140 7.883 733637
G42HA3-N-H 3.674 109.130 7.883 669775
G43H-N-H 8.381 105.458 8.412 188268
G43HA2-N-H 4.682 105.445 8.412 497831
G43HA3-N-H 3.793 105.447 8.412 326979
T44H-N-H 8.778 111.363 8.812 1553169
T44HA-N-H 4.189 111.359 8.812 2971474
T44HB-N-H 4.189 111.359 8.812 2971474
L45H-N-H 8.916 121.802 8.946 4608328
Q46H-N-H 8.045 114.995 8.120 820451
Q46HA-N-H 3.605 114.995 8.120 159847
E47H-N-H 7.619 119.555 7.644 3582779
E47HA-N-H 3.820 119.551 7.644 1269853
E47HG2-N-H 2.204 119.548 7.644 557885
E47HG3-N-H 2.204 119.548 7.644 557885
R48H-N-H 8.571 118.833 8.602 2804465
R48HA-N-H 3.595 118.856 8.602 599038
R48HB2-N-H 1.690 118.767 8.600 186272
R48HB3-N-H 1.690 118.767 8.600 186272
A49H-N-H 8.029 120.075 8.104 4505389
A49HA-N-H 3.741 120.022 8.098 1048864
A50H-N-H 8.329 119.211 8.404 5222017
A50HA-N-H 3.982 119.211 8.404 1213648
R51H-N-H 7.923 120.654 7.954 5513289
R51HD2-N-H 3.085 120.538 7.953 1589572
R51HD3-N-H 3.085 120.538 7.953 1589572
L52H-N-H 7.833 119.256 7.856 4450676
L52HA-N-H 3.879 119.253 7.856 1274953
L52HB2-N-H 1.609 119.313 7.855 459166
L52HB3-N-H 1.609 119.313 7.856 459166
L52HG-N-H 1.516 119.313 7.855 375199
F53H-N-H 8.600 117.380 8.629 4849808
F53HA-N-H 3.723 117.393 8.629 322615
F53HB2-N-H 2.862 117.370 8.629 149056
F53HB3-N-H 2.862 117.370 8.629 149056
S54H-N-H 7.903 111.845 7.926 4383823
S54HA-N-H 4.140 111.842 7.926 2024022
S54HB2-N-H 4.140 111.842 7.926 2024022
S54HB3-N-H 4.140 111.842 7.926 2024022
V55H-N-H 7.069 112.925 7.100 2427933
V55HA-N-H 4.484 112.938 7.099 3302096
V55HB-N-H 2.301 112.973 7.100 206164
R56H-N-H 7.119 124.250 7.147 6698901
R56HA-N-H 3.739 124.244 7.147 549163
R56HG2-N-H 1.359 124.271 7.150 74157
R56HG3-N-H 1.359 124.271 7.150 74157
G57H-N-H 9.152 114.345 9.160 517478
G57HA2-N-H 3.922 114.345 9.164 379512
G57HA3-N-H 3.606 114.345 9.164 363573
L58H-N-H 7.413 119.081 7.438 3013997
L58HA-N-H 4.411 119.011 7.441 2233681
L58HB2-N-H 1.516 119.011 7.441 1217784
L58HB3-N-H 1.516 119.011 7.441 1217784
L58HD21-N-H 0.697 119.011 7.441 103918
L58HG-N-H 1.399 119.011 7.441 1047315
A59H-N-H 8.468 125.398 8.514 3367485
A59HA-N-H 4.385 125.349 8.511 1279165
K60H-N-H 8.705 122.263 8.736 7779976
K60HA-N-H 3.884 122.278 8.737 305127
E61H-N-H 9.010 114.425 9.035 7017913
E61HA-N-H 4.108 114.429 9.035 1703880
E61HB2-N-H 2.000 114.429 9.031 590452
E61HB3-N-H 2.000 114.429 9.031 590452
E61HG2-N-H 2.282 114.429 9.032 285446
E61HG3-N-H 2.283 114.429 9.032 285446
Q62H-N-H 8.036 116.783 8.059 2257872
Q62HA-N-H 4.312 116.810 8.059 2210907
Q62HG2-N-H 2.215 116.816 8.058 2717563
Q62HG3-N-H 2.215 116.816 8.058 2717563
I63H-N-H 7.215 122.334 7.244 3452488
I63HA-N-H 3.622 122.336 7.244 2103602
I63HB-N-H 1.870 122.340 7.244 763617
D64H-N-H 8.282 129.294 8.312 5371488
D64HA-N-H 4.469 129.338 8.312 374998
D64HB-N-H 2.578 129.338 8.314 125921
A66H-N-H 8.440 119.791 8.474 7268320
A66HA-N-H 4.131 119.720 8.475 1537650
L67H-N-H 8.158 116.301 8.189 3002710
L67HA-N-H 4.025 116.301 8.196 1927232
L67HB2-N-H 1.524 116.301 8.194 1209292
L67HB3-N-H 1.522 116.301 8.195 1209292
L67HG-N-H 1.187 116.301 8.194 494850
F68H-N-H 7.140 116.625 7.172 3934060
F68HA-N-H 4.486 116.558 7.171 1486131
F68HB2-N-H 3.185 116.558 7.171 534039
F68HB3-N-H 2.915 116.558 7.171 870082
A69H-N-H 8.405 124.133 8.480 2031933
A69HA-N-H 4.096 124.151 8.471 916442
K70H-N-H 8.136 121.130 8.169 1428710
L72H-N-H 8.272 123.037 8.298 6390300
L72HA-N-H 4.154 123.004 8.298 6278917
L72HB2-N-H 1.499 123.007 8.298 9464162
L72HB3-N-H 1.499 123.007 8.298 9464162
L72HD21-N-H 0.762 123.003 8.299 1804380
L72HG-N-H 1.499 123.007 8.298 9464162
K73H-N-H 8.272 122.257 8.300 1076555
K73HA-N-H 4.142 122.257 8.300 1132230
K73HG2-N-H 1.481 122.257 8.292 1707270
K73HG3-N-H 1.483 122.257 8.294 1707270
G74H-N-H 8.315 110.261 8.339 419851
G74HA2-N-H 3.876 110.261 8.339 5220970
G74HA3-N-H 3.876 110.261 8.339 5220970
K75H-N-H 8.060 121.028 8.135 378752
K75HA-N-H 4.153 121.028 8.153 304562
K75HB2-N-H 1.702 121.028 8.161 3324356
K75HB3-N-H 1.700 121.028 8.160 3324356
K75HE2-N-H 2.910 121.075 8.161 482634
K75HE3-N-H 2.910 121.075 8.161 482634
K75HG2-N-H 1.394 121.028 8.163 2054765
K75HG3-N-H 1.390 121.028 8.166 1734036
K76H-N-H 8.376 123.685 8.413 173340
K76HA-N-H 4.218 123.685 8.413 1541440
K76HB2-N-H 1.694 123.685 8.411 1637060
K76HB3-N-H 1.699 123.685 8.415 1260876
K76HG2-N-H 1.397 123.685 8.408 939509
K76HG3-N-H 1.401 123.685 8.409 939509
K77H-N-H 7.913 128.277 7.938 5415945
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 14.0008 ppm . . . 11.70042 . . 30927 4
2 . . N 15 N . . 35.0000 ppm . . . 134.50200 . . 30927 4
3 . . C 13 C . . 80.0000 ppm . . . 83.04461 . . 30927 4
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 8
_Spectral_peak_list.Experiment_name '3D 1H-15N TOCSY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3
P2CA-L3N-H 63.055 122.238 8.487
P2CB-L3N-H 32.204 122.238 8.487
L3CA-G4N-H 55.372 109.830 8.339
L3CB-G4N-H 42.022 109.830 8.339
G4CA-S5N-H 45.123 115.593 8.063
S5CA-I6N-H 58.094 121.862 8.148
S5CB-I6N-H 63.856 121.862 8.148
I6CA-D7N-H 61.190 123.899 8.285
I6CB-D7N-H 38.754 123.899 8.285
D7CA-K8N-H 54.400 121.063 8.091
D7CB-K8N-H 41.122 121.063 8.091
K8CA-E9N-H 56.441 121.795 8.422
K8CB-E9N-H 33.173 121.795 8.422
E9CA-T10N-H 56.611 115.207 8.070
E9CB-T10N-H 30.203 115.207 8.070
T10CA-I11N-H 60.035 121.310 8.445
T10CB-I11N-H 67.752 121.310 8.445
I11CA-D12N-H 61.071 124.047 8.441
I11CB-D12N-H 39.036 124.047 8.441
D12CA-L13N-H 52.152 124.545 8.597
D12CB-L13N-H 40.344 124.545 8.597
L13CA-L14N-H 57.373 115.810 7.964
L13CB-L14N-H 42.048 115.810 7.964
L14CA-A15N-H 56.371 120.047 7.460
L14CB-A15N-H 40.343 120.047 7.460
A15CA-F16N-H 52.718 117.756 7.342
A15CB-F16N-H 18.450 117.756 7.342
F16CA-T17N-H 57.464 111.728 9.270
F16CB-T17N-H 40.255 111.728 9.270
T17CA-S18N-H 62.055 114.484 7.587
T17CB-S18N-H 70.039 114.484 7.587
S18CA-V19N-H 56.598 120.433 7.933
S18CB-V19N-H 66.160 120.433 7.933
V19CA-A20N-H 65.753 121.890 7.780
V19CB-A20N-H 31.302 121.890 7.780
A20CA-E21N-H 54.823 115.672 7.355
A20CB-E21N-H 18.113 115.672 7.355
E21CA-L22N-H 58.989 118.791 7.072
E21CB-L22N-H 30.948 118.791 7.072
L22CA-E23N-H 56.893 118.158 8.059
L22CB-E23N-H 42.399 118.158 8.059
E23CA-L24N-H 59.925 115.434 6.921
E23CB-L24N-H 29.772 115.434 6.921
L24CA-L25N-H 56.410 117.467 7.719
L24CB-L25N-H 41.552 117.467 7.719
L25CA-G26N-H 56.690 102.927 7.064
L25CB-G26N-H 41.492 102.927 7.064
G26CA-L27N-H 44.232 117.529 8.308
L27CA-E28N-H 59.315 119.389 8.392
L27CB-E28N-H 43.470 119.389 8.392
E28CA-K29N-H 59.299 121.936 8.838
E28CB-K29N-H 29.014 121.936 8.838
K29CA-L30N-H 58.605 115.692 7.640
K29CB-L30N-H 31.607 115.692 7.640
L30CA-K31N-H 58.145 118.574 7.726
L30CB-K31N-H 42.266 118.574 7.726
K31CA-C32N-H 60.099 117.013 8.159
K31CB-C32N-H 32.093 117.013 8.159
C32CA-E33N-H 63.380 120.148 8.180
C32CB-E33N-H 26.531 120.148 8.180
E33CA-L34N-H 58.398 120.178 8.152
E33CB-L34N-H 29.082 120.178 8.152
L34CA-M35N-H 58.781 118.066 8.550
L34CB-M35N-H 41.009 118.066 8.550
M35CA-A36N-H 59.250 122.922 8.027
M35CB-A36N-H 33.386 122.922 8.027
A36CA-L37N-H 54.842 116.183 7.058
A36CB-L37N-H 18.019 116.183 7.058
L37CA-G38N-H 54.552 106.990 7.914
L37CB-G38N-H 44.126 106.990 7.914
G38CA-L39N-H 45.224 119.740 7.961
L39CA-K40N-H 53.153 120.420 8.251
L39CB-K40N-H 43.438 120.420 8.251
K40CA-C41N-H 58.068 118.595 8.292
K40CB-C41N-H 32.579 118.595 8.292
C41CA-G42N-H 56.891 109.181 7.873
C41CB-G42N-H 30.406 109.181 7.873
G42CA-G43N-H 43.570 105.418 8.409
G43CA-T44N-H 43.270 111.322 8.799
T44CA-L45N-H 61.541 121.813 8.944
T44CB-L45N-H 71.301 121.813 8.944
L45CA-Q46N-H 59.371 114.995 8.085
L45CB-Q46N-H 42.143 114.995 8.085
Q46CA-E47N-H 60.084 119.486 7.628
Q46CB-E47N-H 27.700 119.486 7.628
E47CA-R48N-H 58.988 118.853 8.587
E47CB-R48N-H 29.616 118.853 8.587
R48CA-A49N-H 59.656 120.075 8.069
R48CB-A49N-H 31.982 120.075 8.069
A49CA-A50N-H 55.347 119.211 8.369
A49CB-A50N-H 19.704 119.211 8.369
A50CA-R51N-H 54.927 120.654 7.944
A50CB-R51N-H 17.662 120.654 7.944
R51CA-L52N-H 59.400 119.313 7.838
R51CB-L52N-H 30.049 119.313 7.838
L52CA-F53N-H 57.101 117.355 8.615
L52CB-F53N-H 41.627 117.355 8.615
F53CA-S54N-H 62.048 111.836 7.901
F53CB-S54N-H 39.644 111.836 7.901
S54CA-V55N-H 61.200 112.974 7.072
S54CB-V55N-H 62.759 112.974 7.072
V55CA-R56N-H 59.981 124.305 7.125
V55CB-R56N-H 30.480 124.305 7.125
R56CA-G57N-H 57.363 114.345 9.169
R56CB-G57N-H 30.654 114.345 9.169
G57CA-L58N-H 45.544 119.011 7.406
L58CA-A59N-H 54.039 125.398 8.508
L58CB-A59N-H 42.298 125.398 8.508
A59CA-K60N-H 51.105 122.278 8.739
A59CB-K60N-H 19.377 122.278 8.739
K60CA-E61N-H 60.280 114.429 9.005
K60CB-E61N-H 32.194 114.429 9.005
E61CA-Q62N-H 58.780 116.783 8.030
E61CB-Q62N-H 28.403 116.783 8.030
Q62CA-I63N-H 55.531 122.354 7.206
Q62CB-I63N-H 30.917 122.354 7.206
I63CA-D64N-H 62.296 129.391 8.335
I63CB-D64N-H 38.573 129.391 8.335
P65CA-A66N-H 64.242 119.720 8.448
P65CB-A66N-H 32.146 119.720 8.448
A66CA-L67N-H 53.649 116.301 8.172
A66CB-L67N-H 18.400 116.301 8.172
L67CA-F68N-H 55.442 116.558 7.136
L67CB-F68N-H 42.784 116.558 7.136
F68CA-A69N-H 58.449 124.133 8.445
F68CB-A69N-H 39.065 124.133 8.445
A69CA-K70N-H 52.549 121.130 8.180
A69CB-K70N-H 19.035 121.130 8.180
P71CA-L72N-H 62.820 122.958 8.278
P71CB-L72N-H 32.133 122.958 8.278
L72CA-K73N-H 55.038 122.257 8.228
L72CB-K73N-H 42.222 122.257 8.228
K73CA-G74N-H 55.377 110.261 8.345
K73CB-G74N-H 32.960 110.261 8.304
G74CA-K75N-H 44.950 121.028 8.100
K75CA-K76N-H 56.026 123.685 8.313
K75CB-K76N-H 33.270 123.685 8.313
K76CA-K77N-H 56.412 128.277 7.907
K76CB-K77N-H 33.380 128.277 7.907
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 15.9791 ppm . . . 12.68351 . . 30927 5
2 . . N 15 N . . 36.0047 ppm . . . 137.52090 . . 30927 5
3 . . H 1 HN . . 15.9791 ppm . . . 12.68351 . . 30927 5
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_6
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 6
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 12
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3 Data Height
P2CA-L3N-H 63.055 122.238 8.487 4261693
L3CA-G4N-H 55.372 109.830 8.339 2660646
G4CA-S5N-H 45.123 115.593 8.063 5258497
S5CA-I6N-H 58.094 121.862 8.148 4369652
I6CA-D7N-H 61.190 123.899 8.285 3685272
D7CA-K8N-H 54.400 121.063 8.091 5233094
K8CA-E9N-H 56.441 121.795 8.422 338358
E9CA-T10N-H 56.611 115.207 8.070 3552406
T10CA-I11N-H 60.035 121.310 8.445 -14507
I11CA-D12N-H 61.071 124.047 8.441 1563227
D12CA-L13N-H 52.152 124.545 8.597 1657609
L13CA-L14N-H 57.373 115.810 7.964 2653550
L14CA-A15N-H 56.371 120.047 7.460 2553146
A15CA-F16N-H 52.718 117.756 7.342 2364472
F16CA-T17N-H 57.464 111.728 9.270 1664042
T17CA-S18N-H 62.055 114.484 7.587 2240327
S18CA-V19N-H 56.598 120.433 7.933 2355783
V19CA-A20N-H 65.753 121.890 7.780 2372360
A20CA-E21N-H 54.823 115.672 7.355 3128640
E21CA-L22N-H 58.989 118.791 7.072 1732702
L22CA-E23N-H 56.893 118.158 8.059 2387996
E23CA-L24N-H 59.925 115.434 6.921 2487708
L24CA-L25N-H 56.410 117.467 7.719 2188740
L25CA-G26N-H 56.690 102.927 7.064 1579329
G26CA-L27N-H 44.232 117.529 8.308 2328268
L27CA-E28N-H 59.315 119.389 8.392 1755039
E28CA-K29N-H 59.299 121.936 8.838 2128942
K29CA-L30N-H 58.605 115.692 7.640 2017663
L30CA-K31N-H 58.145 118.574 7.726 1538297
K31CA-C32N-H 60.099 117.013 8.159 2232319
C32CA-E33N-H 63.380 120.148 8.180 1371820
E33CA-L34N-H 58.398 120.178 8.152 1975087
L34CA-M35N-H 58.781 118.066 8.550 2129050
M35CA-A36N-H 59.249 122.922 8.026 3059161
A36CA-L37N-H 54.842 116.183 7.058 1825753
L37CA-G38N-H 54.552 106.990 7.914 1867775
G38CA-L39N-H 45.224 119.740 7.961 463579
L39CA-K40N-H 53.153 120.420 8.251 1550592
K40CA-C41N-H 58.068 118.595 8.292 1176383
C41CA-G42N-H 56.891 109.181 7.873 1501796
G42CA-G43N-H 43.570 105.418 8.409 570023
G43CA-T44N-H 43.270 111.322 8.799 2606841
T44CA-L45N-H 61.541 121.813 8.944 1436502
L45CA-Q46N-H 59.371 114.995 8.085 1371462
Q46CA-E47N-H 60.084 119.486 7.628 2031665
E47CA-R48N-H 58.988 118.853 8.587 2278306
R48CA-A49N-H 59.656 120.075 8.069 2425409
A49CA-A50N-H 55.347 119.211 8.369 1999040
A50CA-R51N-H 54.927 120.654 7.944 2454377
R51CA-L52N-H 59.400 119.313 7.838 1700455
L52CA-F53N-H 57.101 117.355 8.615 2129238
F53CA-S54N-H 62.048 111.836 7.901 1921123
S54CA-V55N-H 61.200 112.974 7.072 1274229
V55CA-R56N-H 59.975 124.305 7.125 1280437
R56CA-G57N-H 57.363 114.345 9.169 1265577
G57CA-L58N-H 45.544 119.011 7.406 4171939
L58CA-A59N-H 54.039 125.398 8.508 2562481
A59CA-K60N-H 51.105 122.278 8.739 2603343
K60CA-E61N-H 60.280 114.429 9.005 1045563
E61CA-Q62N-H 58.780 116.783 8.030 2785166
Q62CA-I63N-H 55.531 122.354 7.206 1917564
I63CA-D64N-H 62.296 129.391 8.335 1279016
P65CA-A66N-H 64.242 119.720 8.448 1612652
A66CA-L67N-H 53.649 116.301 8.172 2360878
L67CA-F68N-H 55.442 116.558 7.136 1624826
F68CA-A69N-H 58.449 124.133 8.445 1593405
A69CA-K70N-H 52.549 121.130 8.180 2559323
P71CA-L72N-H 62.820 122.958 8.278 471611
L72CA-K73N-H 55.038 122.257 8.228 556445
K73CA-G74N-H 56.215 110.261 8.304 210663
G74CA-K75N-H 44.950 121.028 8.100 1174570
K75CA-K76N-H 56.026 123.685 8.313 518544
K76CA-K77N-H 56.412 128.277 7.907 1725830
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 14.0008 ppm . . . 11.76042 . . 30927 6
2 . . C 13 C . . 75.0000 ppm . . . 76.47768 . . 30927 6
3 . . H 1 H . . 14.0008 ppm . . . 11.7604 . . 30927 6
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_7
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_7
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 7
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 3
_Spectral_peak_list.Experiment_name '3D HN(CO)CA'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3
P2C-L3N-H 176.890 122.238 8.487
L3C-G4N-H 177.736 109.830 8.339
G4C-S5N-H 173.968 115.593 8.063
S5C-I6N-H 174.606 121.862 8.148
I6C-D7N-H 175.787 123.899 8.285
D7C-K8N-H 175.847 121.063 8.091
K8C-E9N-H 176.178 121.795 8.422
T10C-I11N-H 178.901 121.310 8.445
I11C-D12N-H 176.280 124.047 8.441
D12C-L13N-H 177.302 124.545 8.597
L13C-L14N-H 178.734 115.810 7.964
L14C-A15N-H 178.148 120.047 7.460
A15C-F16N-H 177.064 117.756 7.342
F16C-T17N-H 176.128 111.728 9.270
T17C-S18N-H 174.422 114.484 7.587
S18C-V19N-H 173.412 120.433 7.933
V19C-A20N-H 177.287 121.890 7.780
A20C-E21N-H 180.351 115.672 7.355
E21C-L22N-H 179.230 118.791 7.072
L22C-E23N-H 178.883 118.158 8.059
E23C-L24N-H 179.120 115.434 6.921
L24C-L25N-H 178.319 117.467 7.719
L25C-G26N-H 179.179 102.927 7.064
G26C-L27N-H 172.254 117.529 8.308
L27C-E28N-H 179.139 119.389 8.392
E28C-K29N-H 178.876 121.936 8.838
K29C-L30N-H 179.057 115.692 7.640
L30C-K31N-H 178.434 118.574 7.726
K31C-C32N-H 177.884 117.013 8.159
C32C-E33N-H 177.907 120.148 8.180
E33C-L34N-H 178.943 120.178 8.152
L34C-M35N-H 179.050 118.066 8.550
M35C-A36N-H 180.461 122.922 8.026
A36C-L37N-H 179.206 116.183 7.058
L37C-G38N-H 176.393 106.990 7.914
G38C-L39N-H 175.122 119.740 7.961
L39C-K40N-H 176.506 120.420 8.251
K40C-C41N-H 178.731 118.595 8.292
C41C-G42N-H 173.186 109.181 7.873
G42C-G43N-H 173.790 105.418 8.409
G43C-T44N-H 176.256 111.322 8.799
T44C-L45N-H 174.517 121.813 8.944
L45C-Q46N-H 177.401 114.995 8.085
Q46C-E47N-H 178.849 119.486 7.628
E47C-R48N-H 180.472 118.853 8.587
R48C-A49N-H 177.390 120.075 8.069
A49C-A50N-H 178.483 119.211 8.369
A50C-R51N-H 180.319 120.654 7.944
R51C-L52N-H 179.204 119.313 7.838
L52C-F53N-H 177.434 117.355 8.615
F53C-S54N-H 178.492 111.836 7.901
V55C-R56N-H 175.933 124.305 7.125
R56C-G57N-H 176.616 114.345 9.169
G57C-L58N-H 173.434 119.011 7.406
L58C-A59N-H 177.355 125.398 8.508
A59C-K60N-H 178.959 122.278 8.739
K60C-E61N-H 178.805 114.429 9.005
E61C-Q62N-H 177.068 116.783 8.030
Q62C-I63N-H 175.616 122.354 7.206
I63C-D64N-H 175.082 129.391 8.335
P65C-A66N-H 178.670 119.720 8.448
A66C-L67N-H 178.966 116.301 8.172
L67C-F68N-H 176.984 116.558 7.136
P71C-L72N-H 176.735 122.958 8.278
L72C-K73N-H 177.352 122.257 8.228
K73C-G74N-H 176.743 110.261 8.304
G74C-K75N-H 173.621 121.028 8.100
K75C-K76N-H 176.360 123.685 8.313
K76C-K77N-H 175.511 128.277 7.907
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 15.9408 ppm . . . 12.67046 . . 30927 7
2 . . N 15 N . . 35.0000 ppm . . . 134.50580 . . 30927 7
3 . . C 13 C . . 30.0000 ppm . . . 68.19545 . . 30927 7
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_8
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 8
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 4
_Spectral_peak_list.Experiment_name '3D HNCO'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3 Data Height
P2CA-L3N-H 63.055 122.238 8.486 9695648
L3CA-N-H 55.372 122.238 8.486 19848514
L3CA-G4N-H 55.372 109.832 8.339 5576894
G4CA-N-H 45.123 109.832 8.339 18566744
G4CA-S5N-H 45.123 115.593 8.063 6137996
S5CA-N-H 58.094 115.593 8.063 15517568
S5CA-I6N-H 58.094 121.862 8.148 12953448
I6CA-N-H 61.190 121.862 8.148 30194760
I6CA-D7N-H 61.190 123.899 8.285 10594044
D7CA-N-H 54.400 123.899 8.285 29399390
D7CA-K8N-H 54.400 121.063 8.091 16008128
K8CA-N-H 56.441 121.063 8.091 11760138
K8CA-E9N-H 56.441 121.795 8.422 12379938
E9CA-N-H 56.611 121.795 8.422 18719722
E9CA-T10N-H 56.611 115.207 8.070 8174476
T10CA-N-H 60.035 115.207 8.070 19874558
T10CA-I11N-H 60.035 121.310 8.445 -105722
I11CA-N-H 61.071 121.310 8.445 2145422
I11CA-D12N-H 61.071 124.047 8.441 7243952
D12CA-N-H 52.152 124.047 8.441 10252766
D12CA-L13N-H 52.152 124.545 8.597 7495160
L13CA-N-H 57.373 124.545 8.597 14185604
L13CA-L14N-H 57.373 115.810 7.964 7602040
L14CA-N-H 56.371 115.810 7.964 21565846
L14CA-A15N-H 56.371 120.047 7.460 5817658
A15CA-N-H 52.718 120.047 7.460 20524312
A15CA-F16N-H 52.718 117.756 7.342 4346004
F16CA-N-H 57.464 117.756 7.342 21479338
F16CA-T17N-H 57.464 111.728 9.270 7427620
T17CA-N-H 62.055 111.728 9.270 9024332
T17CA-S18N-H 62.055 114.484 7.587 2882486
S18CA-N-H 56.598 114.484 7.587 26829356
S18CA-V19N-H 56.598 120.433 7.933 11845964
V19CA-N-H 65.753 120.433 7.933 15484180
V19CA-A20N-H 65.753 121.890 7.780 5593992
A20CA-N-H 54.823 121.890 7.780 19661406
A20CA-E21N-H 54.823 115.672 7.355 7868028
E21CA-N-H 58.989 115.672 7.355 24043492
E21CA-L22N-H 58.989 118.791 7.072 5906180
L22CA-N-H 56.893 118.791 7.072 16095916
L22CA-E23N-H 56.893 118.158 8.059 8160698
E23CA-N-H 59.925 118.158 8.059 22869720
E23CA-L24N-H 59.925 115.434 6.921 6760394
L24CA-N-H 56.410 115.434 6.921 22071612
L24CA-L25N-H 56.410 117.467 7.719 9340368
L25CA-N-H 56.690 117.467 7.719 18815248
L25CA-G26N-H 56.690 102.927 7.064 2533470
G26CA-N-H 44.232 102.927 7.064 21265048
G26CA-L27N-H 44.232 117.529 8.308 10993626
L27CA-N-H 59.315 117.529 8.308 9657608
L27CA-E28N-H 59.315 119.389 8.392 16400452
E28CA-N-H 59.299 119.389 8.392 16400452
E28CA-K29N-H 59.299 121.936 8.838 5126030
K29CA-N-H 58.605 121.936 8.838 17363650
K29CA-L30N-H 58.605 115.692 7.640 8080442
L30CA-N-H 58.145 115.692 7.640 16606262
L30CA-K31N-H 58.145 118.574 7.726 4361168
K31CA-N-H 60.099 118.574 7.726 9838474
K31CA-C32N-H 60.099 117.013 8.159 4641334
C32CA-N-H 63.380 117.013 8.159 8935934
C32CA-E33N-H 63.380 120.148 8.180 1984746
E33CA-N-H 58.398 120.148 8.180 15465596
E33CA-L34N-H 58.398 120.178 8.152 9038226
L34CA-N-H 58.781 120.178 8.152 15977694
L34CA-M35N-H 58.781 118.066 8.550 8049958
M35CA-N-H 59.237 118.066 8.550 18093504
M35CA-A36N-H 59.237 122.920 8.024 6458226
A36CA-N-H 54.842 122.920 8.024 20979220
A36CA-L37N-H 54.842 116.183 7.058 11429328
L37CA-N-H 54.552 116.183 7.058 16248488
L37CA-G38N-H 54.552 106.990 7.914 4539776
G38CA-N-H 45.224 106.990 7.914 7709434
G38CA-L39N-H 45.224 119.740 7.961 1740098
L39CA-N-H 53.153 119.740 7.961 20272248
L39CA-K40N-H 53.153 120.420 8.251 6142234
K40CA-N-H 58.068 120.420 8.251 12355656
K40CA-C41N-H 58.068 118.595 8.292 4751472
C41CA-N-H 56.891 118.595 8.292 7668216
C41CA-G42N-H 56.891 109.181 7.873 1875632
G42CA-N-H 43.570 109.181 7.873 13795796
G42CA-G43N-H 43.570 105.418 8.409 4317412
G43CA-N-H 43.270 105.418 8.409 5919586
G43CA-T44N-H 43.270 111.322 8.799 5622340
T44CA-N-H 61.541 111.322 8.799 12725756
T44CA-L45N-H 61.541 121.813 8.944 6411560
L45CA-N-H 59.371 121.813 8.944 10367546
L45CA-Q46N-H 59.371 114.995 8.085 2134500
Q46CA-N-H 60.084 114.995 8.085 8895034
Q46CA-E47N-H 60.084 119.486 7.628 4924270
E47CA-N-H 58.988 119.486 7.628 14503030
E47CA-R48N-H 58.988 118.853 8.587 4831564
R48CA-N-H 59.656 118.853 8.587 15121454
R48CA-A49N-H 59.656 120.075 8.069 7590662
A49CA-N-H 55.347 120.075 8.069 21071240
A49CA-A50N-H 55.347 119.211 8.369 9491738
A50CA-N-H 54.927 119.211 8.369 16007866
A50CA-R51N-H 54.927 120.654 7.944 5920398
R51CA-N-H 59.400 120.654 7.944 17784538
R51CA-L52N-H 59.400 119.313 7.838 4572826
L52CA-N-H 57.101 119.313 7.838 12342042
L52CA-F53N-H 57.101 117.355 8.615 6510516
F53CA-N-H 62.048 117.355 8.615 17737636
F53CA-S54N-H 62.048 111.836 7.901 4615822
S54CA-N-H 61.200 111.836 7.901 14309856
S54CA-V55N-H 61.200 112.973 7.072 3350250
V55CA-N-H 60.164 112.979 7.071 13495432
V55CA-R56N-H 59.932 124.305 7.125 2171692
R56CA-N-H 57.363 124.305 7.125 16463804
R56CA-G57N-H 57.363 114.345 9.169 5975940
G57CA-N-H 45.544 114.345 9.169 8075464
G57CA-L58N-H 45.544 119.011 7.406 6289754
L58CA-N-H 54.039 119.011 7.406 28104204
L58CA-A59N-H 54.039 125.398 8.508 9136208
A59CA-N-H 51.105 125.398 8.508 20545238
A59CA-K60N-H 51.105 122.278 8.739 12543528
K60CA-N-H 60.280 122.278 8.739 16956154
K60CA-E61N-H 60.280 114.429 9.005 5691634
E61CA-N-H 58.780 114.429 9.005 15691694
E61CA-Q62N-H 58.780 116.783 8.030 6425376
Q62CA-N-H 55.531 116.783 8.030 21311118
Q62CA-I63N-H 55.531 122.354 7.206 3970416
I63CA-N-H 62.296 122.354 7.206 18346284
I63CA-D64N-H 62.296 129.391 8.335 4735764
D64CA-N-H 52.226 129.391 8.335 9175830
P65CA-A66N-H 64.242 119.720 8.448 5758384
A66CA-N-H 53.649 119.720 8.448 18577466
A66CA-L67N-H 53.649 116.301 8.172 6191350
L67CA-N-H 55.442 116.301 8.172 19612468
L67CA-F68N-H 55.442 116.558 7.136 3020036
F68CA-N-H 58.449 116.558 7.136 17353430
F68CA-A69N-H 58.449 124.133 8.445 6364884
A69CA-N-H 52.549 124.133 8.445 13850660
A69CA-K70N-H 52.549 121.130 8.180 3060972
K70CA-N-H 53.715 121.130 8.180 9171550
P71CA-L72N-H 62.820 122.958 8.278 12916176
L72CA-N-H 55.038 122.958 8.278 23063252
L72CA-K73N-H 55.038 122.257 8.228 6871016
K73CA-N-H 56.215 122.257 8.228 17898202
K73CA-G74N-H 56.215 110.261 8.304 2532280
G74CA-N-H 44.950 110.261 8.304 7954030
G74CA-K75N-H 44.950 121.028 8.100 8118808
K75CA-N-H 56.026 121.028 8.100 49423844
K75CA-K76N-H 56.026 123.685 8.313 7814136
K76CA-N-H 56.412 123.685 8.313 13824144
K76CA-K77N-H 56.412 128.277 7.907 24668106
K77CA-N-H 57.650 128.277 7.907 46916216
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . . ppm . . . . . . 30927 8
2 . . N 15 N . . . ppm . . . . . . 30927 8
3 . . C 13 C . . . ppm . . . . . . 30927 8
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_9
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_9
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 9
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 5
_Spectral_peak_list.Experiment_name '3D HNCACB'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3 Data Height
P2CA-L3N-H 63.055 122.238 8.486 44533464
P2CB-L3N-H 32.204 122.238 8.486 29685206
L3CA-G4N-H 55.372 109.832 8.339 33017208
L3CB-G4N-H 42.022 109.832 8.339 31887882
G4CA-S5N-H 45.123 115.593 8.063 58960032
S5CA-I6N-H 58.094 121.862 8.148 25920196
S5CB-I6N-H 63.856 121.862 8.148 51668024
I6CA-D7N-H 61.190 123.899 8.285 33014876
I6CB-D7N-H 38.754 123.899 8.285 15189398
D7CA-K8N-H 54.400 121.063 8.091 24780890
D7CB-K8N-H 41.122 121.063 8.091 46996752
K8CA-E9N-H 56.441 121.795 8.422 19892786
K8CB-E9N-H 33.173 121.795 8.422 22651146
E9CA-T10N-H 56.611 115.207 8.070 13347168
E9CB-T10N-H 30.203 115.207 8.070 14153940
T10CA-I11N-H 60.035 121.310 8.445 189438
T10CB-I11N-H 67.752 121.310 8.445 -229976
I11CA-D12N-H 61.071 124.047 8.441 8656664
I11CB-D12N-H 39.036 124.047 8.441 7507270
D12CA-L13N-H 52.152 124.545 8.597 5050572
D12CB-L13N-H 40.344 124.545 8.597 13088478
L13CA-L14N-H 57.373 115.810 7.964 5150620
L13CB-L14N-H 42.048 115.810 7.964 4679788
L14CA-A15N-H 56.371 120.047 7.460 6280224
L14CB-A15N-H 40.343 120.047 7.460 6174584
A15CA-F16N-H 52.718 117.756 7.342 10521448
A15CB-F16N-H 18.450 117.756 7.342 17703422
F16CA-T17N-H 57.464 111.728 9.270 2637512
F16CB-T17N-H 40.255 111.728 9.270 3388252
T17CA-S18N-H 62.055 114.484 7.587 4386270
T17CB-S18N-H 70.039 114.484 7.587 5498926
S18CA-V19N-H 56.598 120.433 7.933 6960916
S18CB-V19N-H 66.160 120.433 7.933 11103448
V19CA-A20N-H 65.753 121.890 7.780 13943672
V19CB-A20N-H 31.302 121.890 7.780 6331164
A20CA-E21N-H 54.823 115.672 7.355 7595460
A20CB-E21N-H 18.113 115.672 7.355 9659538
E21CA-L22N-H 58.989 118.791 7.072 5660004
E21CB-L22N-H 30.948 118.791 7.072 4161992
L22CA-E23N-H 56.893 118.158 8.059 10037208
L22CB-E23N-H 42.399 118.158 8.059 9579780
E23CA-L24N-H 59.925 115.434 6.921 5159424
E23CB-L24N-H 29.772 115.434 6.921 3330842
L24CA-L25N-H 56.410 117.467 7.719 7687258
L24CB-L25N-H 41.552 117.467 7.719 6794738
L25CA-G26N-H 56.690 102.927 7.064 3851916
L25CB-G26N-H 41.492 102.927 7.064 3283982
G26CA-L27N-H 44.232 117.529 8.308 17816572
L27CA-E28N-H 59.315 119.389 8.392 8802736
L27CB-E28N-H 43.470 119.389 8.392 8512724
E28CA-K29N-H 59.299 121.936 8.838 9674924
E28CB-K29N-H 29.014 121.936 8.838 8266080
K29CA-L30N-H 58.605 115.692 7.640 6796166
K29CB-L30N-H 31.607 115.692 7.640 4968992
L30CA-K31N-H 58.145 118.574 7.726 4741174
L30CB-K31N-H 42.266 118.574 7.726 3499770
K31CA-C32N-H 60.099 117.013 8.159 4449432
K31CB-C32N-H 32.093 117.013 8.159 2501814
C32CA-E33N-H 63.380 120.148 8.180 8093700
C32CB-E33N-H 26.531 120.148 8.180 9972028
E33CA-L34N-H 58.398 120.178 8.152 5520348
E33CB-L34N-H 29.082 120.178 8.152 3943708
L34CA-M35N-H 58.781 118.066 8.550 7870748
L34CB-M35N-H 41.009 118.066 8.550 4541684
M35CA-A36N-H 59.237 122.920 8.024 5669642
M35CB-A36N-H 33.386 122.920 8.024 3476500
A36CA-L37N-H 54.842 116.183 7.058 3503044
A36CB-L37N-H 18.019 116.183 7.058 4439742
L37CA-G38N-H 54.552 106.990 7.914 7703168
L37CB-G38N-H 44.126 106.990 7.914 8011592
G38CA-L39N-H 45.224 119.740 7.961 13078842
L39CA-K40N-H 53.153 120.420 8.251 4398166
L39CB-K40N-H 43.438 120.420 8.251 4856060
K40CA-C41N-H 58.068 118.595 8.292 6685594
K40CB-C41N-H 32.579 118.595 8.292 5963920
C41CA-G42N-H 56.891 109.181 7.873 8893860
C41CB-G42N-H 30.406 109.181 7.873 14726840
G42CA-G43N-H 43.570 105.418 8.409 17362754
G43CA-T44N-H 43.270 111.322 8.799 16007000
T44CA-L45N-H 61.541 121.813 8.944 9159716
T44CB-L45N-H 71.301 121.813 8.944 7658872
L45CA-Q46N-H 59.371 114.995 8.085 9958262
L45CB-Q46N-H 42.143 114.995 8.085 7713572
Q46CA-E47N-H 60.084 119.486 7.628 12084668
Q46CB-E47N-H 27.700 119.486 7.628 8752978
E47CA-R48N-H 58.988 118.853 8.587 6986644
E47CB-R48N-H 29.616 118.853 8.587 4357908
R48CA-A49N-H 59.656 120.075 8.069 3333986
R48CB-A49N-H 31.982 120.075 8.069 2579994
A49CA-A50N-H 55.347 119.211 8.369 8633280
A49CB-A50N-H 19.704 119.211 8.369 10766152
A50CA-R51N-H 54.927 120.654 7.944 6987754
A50CB-R51N-H 17.662 120.654 7.944 8850726
R51CA-L52N-H 59.400 119.313 7.838 7826694
R51CB-L52N-H 30.049 119.313 7.838 5190198
L52CA-F53N-H 57.101 117.355 8.615 6952204
L52CB-F53N-H 41.627 117.355 8.615 5388290
F53CA-S54N-H 62.048 111.836 7.901 5338082
F53CB-S54N-H 39.644 111.836 7.901 5717156
S54CA-V55N-H 61.200 112.973 7.072 4516820
S54CB-V55N-H 62.759 112.973 7.072 6098346
V55CA-R56N-H 59.932 124.305 7.125 6527754
V55CB-R56N-H 30.480 124.305 7.125 3752614
R56CA-G57N-H 57.363 114.345 9.169 6962362
R56CB-G57N-H 30.654 114.345 9.169 5059032
G57CA-L58N-H 45.544 119.011 7.406 8445536
L58CA-A59N-H 54.039 125.398 8.508 10870914
L58CB-A59N-H 42.298 125.398 8.508 10291380
A59CA-K60N-H 51.105 122.278 8.739 13114740
A59CB-K60N-H 19.377 122.278 8.739 18450038
K60CA-E61N-H 60.280 114.429 9.005 4830866
K60CB-E61N-H 32.194 114.429 9.005 4266748
E61CA-Q62N-H 58.780 116.783 8.030 4820802
E61CB-Q62N-H 28.403 116.783 8.030 3646312
Q62CA-I63N-H 55.531 122.354 7.206 2260290
Q62CB-I63N-H 30.917 122.354 7.206 2046442
I63CA-D64N-H 62.296 129.391 8.335 6114548
I63CB-D64N-H 38.573 129.391 8.335 2763414
P65CA-A66N-H 64.242 119.720 8.448 9713550
P65CB-A66N-H 32.146 119.720 8.448 7441146
A66CA-L67N-H 53.649 116.301 8.172 5148174
A66CB-L67N-H 18.400 116.301 8.172 8567790
L67CA-F68N-H 55.442 116.558 7.136 3308262
L67CB-F68N-H 42.784 116.558 7.136 3446476
F68CA-A69N-H 58.449 124.133 8.445 4042106
F68CB-A69N-H 39.065 124.133 8.445 9827126
A69CA-K70N-H 52.549 121.130 8.180 12626552
A69CB-K70N-H 19.035 121.130 8.180 17590406
P71CA-L72N-H 62.820 122.958 8.278 10238538
P71CB-L72N-H 32.133 122.958 8.278 7342066
L72CA-K73N-H 55.038 122.257 8.228 1530416
L72CB-K73N-H 42.222 122.257 8.228 1272232
K73CA-G74N-H 56.215 110.261 8.304 2082254
K73CB-G74N-H 32.960 110.261 8.304 1261642
G74CA-K75N-H 44.950 121.028 8.100 2777762
K75CA-K76N-H 56.026 123.685 8.313 3434846
K75CB-K76N-H 33.270 123.685 8.313 3433114
K76CA-K77N-H 56.412 128.277 7.907 9105854
K76CB-K77N-H 33.380 128.277 7.907 7469734
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 14.0029 ppm . . . 11.70150 . . 30927 9
2 . . N 15 N . . 35.0000 ppm . . . 134.50580 . . 30927 9
3 . . C 13 C . . 80.0000 ppm . . . 83.00194 . . 30927 9
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_10
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_10
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 10
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 4
_Spectral_peak_list.Experiment_name '3D HNCO'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3
P2CA-L3N-H 63.055 122.238 8.487
P2CB-L3N-H 32.204 122.238 8.487
L3CA-N-H 55.372 122.238 8.487
L3CA-G4N-H 55.372 109.832 8.339
L3CB-N-H 42.022 122.238 8.487
L3CB-G4N-H 42.022 109.832 8.339
G4CA-N-H 45.123 109.832 8.339
G4CA-S5N-H 45.123 115.593 8.063
S5CA-N-H 58.094 115.593 8.063
S5CA-I6N-H 58.094 121.862 8.148
S5CB-N-H 63.856 115.593 8.063
S5CB-I6N-H 63.856 121.862 8.148
I6CA-N-H 61.190 121.862 8.148
I6CA-D7N-H 61.190 123.899 8.285
I6CB-N-H 38.754 121.862 8.148
I6CB-D7N-H 38.754 123.899 8.285
D7CA-N-H 54.400 123.899 8.285
D7CA-K8N-H 54.400 121.063 8.091
D7CB-N-H 41.122 123.899 8.285
D7CB-K8N-H 41.122 121.063 8.091
K8CA-N-H 56.441 121.063 8.091
K8CA-E9N-H 56.441 121.795 8.422
K8CB-N-H 33.173 121.063 8.091
K8CB-E9N-H 33.173 121.795 8.422
E9CA-N-H 56.611 121.795 8.422
E9CA-T10N-H 56.611 115.207 8.070
E9CB-N-H 30.203 121.795 8.422
E9CB-T10N-H 30.203 115.207 8.070
T10CA-N-H 60.035 115.207 8.070
T10CA-I11N-H 60.035 121.310 8.445
T10CB-N-H 67.752 115.207 8.070
T10CB-I11N-H 67.752 121.310 8.445
I11CA-N-H 61.071 121.310 8.445
I11CA-D12N-H 61.071 124.047 8.441
I11CB-N-H 39.036 121.310 8.445
I11CB-D12N-H 39.036 124.047 8.441
D12CA-N-H 52.152 124.047 8.441
D12CA-L13N-H 52.152 124.545 8.597
D12CB-N-H 40.344 124.047 8.441
D12CB-L13N-H 40.344 124.545 8.597
L13CA-N-H 57.373 124.545 8.597
L13CA-L14N-H 57.373 115.810 7.964
L13CB-N-H 42.048 124.545 8.597
L13CB-L14N-H 42.048 115.810 7.964
L14CA-N-H 56.371 115.810 7.964
L14CA-A15N-H 56.371 120.047 7.460
L14CB-N-H 40.343 115.810 7.964
L14CB-A15N-H 40.343 120.047 7.460
A15CA-N-H 52.718 120.047 7.460
A15CA-F16N-H 52.718 117.756 7.342
A15CB-N-H 18.450 120.047 7.460
A15CB-F16N-H 18.450 117.756 7.342
F16CA-N-H 57.464 117.756 7.342
F16CA-T17N-H 57.464 111.728 9.270
F16CB-N-H 40.255 117.756 7.342
F16CB-T17N-H 40.255 111.728 9.270
T17CA-N-H 62.055 111.728 9.270
T17CB-N-H 70.039 111.728 9.270
S18CA-N-H 56.598 114.484 7.587
S18CA-V19N-H 56.598 120.433 7.933
S18CB-N-H 66.160 114.484 7.587
S18CB-V19N-H 66.160 120.433 7.933
V19CA-N-H 65.753 120.433 7.933
V19CA-A20N-H 65.753 121.890 7.780
V19CB-N-H 31.302 120.433 7.933
V19CB-A20N-H 31.302 121.890 7.780
A20CA-N-H 54.823 121.890 7.780
A20CA-E21N-H 54.823 115.672 7.355
A20CB-N-H 18.113 121.890 7.780
A20CB-E21N-H 18.113 115.672 7.355
E21CA-N-H 58.989 115.672 7.355
E21CA-L22N-H 58.989 118.791 7.072
E21CB-N-H 30.948 115.672 7.355
E21CB-L22N-H 30.948 118.791 7.072
L22CA-N-H 56.893 118.791 7.072
L22CA-E23N-H 56.893 118.158 8.059
L22CB-N-H 42.399 118.791 7.072
L22CB-E23N-H 42.399 118.158 8.059
E23CA-N-H 59.925 118.158 8.059
E23CA-L24N-H 59.925 115.434 6.921
E23CB-N-H 29.772 118.158 8.059
E23CB-L24N-H 29.772 115.434 6.921
L24CA-N-H 56.410 115.434 6.921
L24CA-L25N-H 56.410 117.467 7.719
L24CB-N-H 41.552 115.434 6.921
L24CB-L25N-H 41.552 117.467 7.719
L25CA-N-H 56.690 117.467 7.719
L25CA-G26N-H 56.690 102.927 7.064
L25CB-N-H 41.492 117.467 7.719
L25CB-G26N-H 41.492 102.927 7.064
G26CA-N-H 44.232 102.927 7.064
G26CA-L27N-H 44.232 117.529 8.308
L27CA-N-H 59.315 117.529 8.308
L27CA-E28N-H 59.315 119.389 8.392
L27CB-N-H 43.470 117.529 8.308
L27CB-E28N-H 43.470 119.389 8.392
E28CA-N-H 59.299 119.389 8.392
E28CA-K29N-H 59.299 121.936 8.838
E28CB-N-H 29.014 119.389 8.392
E28CB-K29N-H 29.014 121.936 8.838
K29CA-N-H 58.605 121.936 8.838
K29CA-L30N-H 58.605 115.692 7.640
K29CB-N-H 31.607 121.936 8.838
K29CB-L30N-H 31.607 115.692 7.640
L30CA-N-H 58.145 115.692 7.640
L30CA-K31N-H 58.145 118.574 7.726
L30CB-N-H 42.266 115.692 7.640
L30CB-K31N-H 42.266 118.574 7.726
K31CA-N-H 60.099 118.574 7.726
K31CA-C32N-H 60.099 117.013 8.159
K31CB-N-H 32.093 118.574 7.726
K31CB-C32N-H 32.093 117.013 8.159
C32CA-N-H 63.380 117.013 8.159
C32CA-E33N-H 63.380 120.148 8.180
C32CB-N-H 26.531 117.013 8.159
C32CB-E33N-H 26.531 120.148 8.180
E33CA-N-H 58.398 120.148 8.180
E33CA-L34N-H 58.398 120.178 8.152
E33CB-N-H 29.082 120.148 8.180
E33CB-L34N-H 29.082 120.178 8.152
L34CA-N-H 58.781 120.178 8.152
L34CA-M35N-H 58.781 118.066 8.550
L34CB-N-H 41.009 120.178 8.152
L34CB-M35N-H 41.009 118.066 8.550
M35CA-N-H 59.237 118.066 8.550
M35CA-A36N-H 59.318 122.921 8.025
M35CB-N-H 33.386 118.066 8.550
M35CB-A36N-H 33.386 122.921 8.026
A36CA-N-H 54.842 122.921 8.026
A36CA-L37N-H 54.842 116.183 7.058
A36CB-N-H 18.019 122.921 8.026
A36CB-L37N-H 18.019 116.183 7.058
L37CA-N-H 54.552 116.183 7.058
L37CA-G38N-H 54.552 106.990 7.914
L37CB-N-H 44.126 116.183 7.058
L37CB-G38N-H 44.126 106.990 7.914
G38CA-N-H 45.224 106.990 7.914
G38CA-L39N-H 45.224 119.740 7.961
L39CA-N-H 53.153 119.740 7.961
L39CA-K40N-H 53.153 120.420 8.251
L39CB-N-H 43.438 119.740 7.961
L39CB-K40N-H 43.438 120.420 8.251
K40CA-N-H 58.068 120.420 8.251
K40CA-C41N-H 58.068 118.595 8.292
K40CB-N-H 32.579 120.420 8.251
K40CB-C41N-H 32.579 118.595 8.292
C41CA-N-H 56.891 118.595 8.292
C41CA-G42N-H 56.891 109.181 7.873
C41CB-N-H 30.406 118.595 8.292
C41CB-G42N-H 30.406 109.181 7.873
G42CA-N-H 43.570 109.181 7.873
G42CA-G43N-H 43.570 105.418 8.409
G43CA-N-H 43.270 105.418 8.409
G43CA-T44N-H 43.270 111.322 8.799
T44CA-N-H 61.541 111.322 8.799
T44CA-L45N-H 61.541 121.813 8.944
T44CB-N-H 71.301 111.322 8.799
T44CB-L45N-H 71.301 121.813 8.944
L45CA-N-H 59.371 121.813 8.944
L45CA-Q46N-H 59.371 114.995 8.085
L45CB-N-H 42.143 121.813 8.944
L45CB-Q46N-H 42.143 114.995 8.085
Q46CA-N-H 60.084 114.995 8.085
Q46CA-E47N-H 60.084 119.486 7.628
Q46CB-N-H 27.700 114.995 8.085
Q46CB-E47N-H 27.700 119.486 7.628
E47CA-N-H 58.988 119.486 7.628
E47CA-R48N-H 58.988 118.853 8.587
E47CB-N-H 29.616 119.486 7.628
E47CB-R48N-H 29.616 118.853 8.587
R48CA-N-H 59.656 118.853 8.587
R48CA-A49N-H 59.656 120.075 8.069
R48CB-N-H 31.982 118.853 8.587
R48CB-A49N-H 31.982 120.075 8.069
A49CA-N-H 55.347 120.075 8.069
A49CA-A50N-H 55.347 119.211 8.369
A49CB-N-H 19.704 120.075 8.069
A49CB-A50N-H 19.704 119.211 8.369
A50CA-N-H 54.927 119.211 8.369
A50CA-R51N-H 54.927 120.654 7.944
A50CB-N-H 17.662 119.211 8.369
A50CB-R51N-H 17.662 120.654 7.944
R51CA-N-H 59.400 120.654 7.944
R51CA-L52N-H 59.400 119.313 7.838
R51CB-N-H 30.049 120.654 7.944
R51CB-L52N-H 30.049 119.313 7.838
L52CA-N-H 57.101 119.313 7.838
L52CA-F53N-H 57.101 117.355 8.615
L52CB-N-H 41.627 119.313 7.838
L52CB-F53N-H 41.627 117.355 8.615
F53CA-N-H 62.048 117.355 8.615
F53CA-S54N-H 62.048 111.836 7.901
F53CB-N-H 39.644 117.355 8.615
F53CB-S54N-H 39.644 111.836 7.901
S54CA-N-H 61.200 111.836 7.901
S54CA-V55N-H 61.200 112.973 7.072
S54CB-N-H 62.759 111.836 7.901
S54CB-V55N-H 62.759 112.973 7.072
V55CA-N-H 59.965 112.973 7.072
V55CA-R56N-H 59.965 124.305 7.125
V55CB-N-H 30.480 112.973 7.072
V55CB-R56N-H 30.480 124.305 7.125
R56CA-N-H 57.363 124.305 7.125
R56CA-G57N-H 57.363 114.345 9.169
R56CB-N-H 30.654 124.305 7.125
R56CB-G57N-H 30.654 114.345 9.169
G57CA-N-H 45.544 114.345 9.169
G57CA-L58N-H 45.544 119.011 7.406
L58CA-N-H 54.039 119.011 7.406
L58CA-A59N-H 54.039 125.398 8.508
L58CB-N-H 42.298 119.011 7.406
L58CB-A59N-H 42.298 125.398 8.508
A59CA-N-H 51.105 125.398 8.508
A59CA-K60N-H 51.105 122.278 8.739
A59CB-N-H 19.377 125.398 8.508
A59CB-K60N-H 19.377 122.278 8.739
K60CA-N-H 60.280 122.278 8.739
K60CA-E61N-H 60.280 114.429 9.005
K60CB-N-H 32.194 122.278 8.739
K60CB-E61N-H 32.194 114.429 9.005
E61CA-N-H 58.780 114.429 9.005
E61CA-Q62N-H 58.780 116.783 8.030
E61CB-N-H 28.403 114.429 9.005
E61CB-Q62N-H 28.403 116.783 8.030
Q62CA-N-H 55.531 116.783 8.030
Q62CA-I63N-H 55.531 122.354 7.206
Q62CB-N-H 30.917 116.783 8.030
Q62CB-I63N-H 30.917 122.354 7.206
I63CA-N-H 62.296 122.354 7.206
I63CA-D64N-H 62.296 129.391 8.335
I63CB-N-H 38.573 122.354 7.206
I63CB-D64N-H 38.573 129.391 8.335
D64CA-N-H 52.226 129.391 8.335
D64CB-N-H 41.914 129.391 8.335
P65CA-A66N-H 64.242 119.720 8.448
P65CB-A66N-H 32.146 119.720 8.448
A66CA-N-H 53.649 119.720 8.448
A66CA-L67N-H 53.649 116.301 8.172
A66CB-N-H 18.400 119.720 8.448
A66CB-L67N-H 18.400 116.301 8.172
L67CA-N-H 55.442 116.301 8.172
L67CA-F68N-H 55.442 116.558 7.136
L67CB-N-H 42.784 116.301 8.172
L67CB-F68N-H 42.784 116.558 7.136
F68CA-N-H 58.449 116.558 7.136
F68CA-A69N-H 58.449 124.133 8.445
F68CB-N-H 39.065 116.558 7.136
F68CB-A69N-H 39.065 124.133 8.445
A69CA-N-H 52.549 124.133 8.445
A69CA-K70N-H 52.549 121.130 8.180
A69CB-N-H 19.035 124.133 8.445
A69CB-K70N-H 19.035 121.130 8.180
K70CA-N-H 53.715 121.130 8.180
K70CB-N-H 32.621 121.130 8.180
P71CA-L72N-H 62.820 122.958 8.278
P71CB-L72N-H 32.133 122.958 8.278
L72CA-N-H 55.038 122.958 8.278
L72CA-K73N-H 55.038 122.257 8.228
L72CB-N-H 42.222 122.958 8.278
L72CB-K73N-H 42.222 122.257 8.228
K73CA-N-H 56.215 122.257 8.228
K73CA-G74N-H 55.437 110.261 8.341
K73CB-N-H 32.960 122.257 8.228
K73CB-G74N-H 32.960 110.261 8.304
G74CA-N-H 44.950 110.261 8.304
G74CA-K75N-H 44.950 121.028 8.100
K75CA-N-H 56.026 121.028 8.100
K75CA-K76N-H 56.026 123.685 8.313
K75CB-N-H 33.270 121.028 8.100
K75CB-K76N-H 33.270 123.685 8.313
K76CA-N-H 56.412 123.685 8.313
K76CA-K77N-H 56.412 128.277 7.907
K76CB-N-H 33.380 123.685 8.313
K76CB-K77N-H 33.380 128.277 7.907
K77CA-N-H 57.650 128.277 7.907
K77CB-N-H 35.061 128.277 7.907
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 14.0029 ppm . . . 11.70150 . . 30927 10
2 . . N 15 N . . 35.0000 ppm . . . 134.50580 . . 30927 10
3 . . C 13 C . . 14.000 ppm . . . 180.50230 . . 30927 10
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_11
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_11
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 11
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '3D HNCA'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3 Data Height
P2C-L3N-H 176.890 122.238 8.487 66068852
L3C-N-H 177.736 122.238 8.487 58825252
L3C-G4N-H 177.736 109.832 8.339 22292972
G4C-N-H 173.947 109.804 8.339 77987928
G4C-S5N-H 173.990 115.593 8.063 21373952
S5C-N-H 174.606 115.593 8.063 32039876
S5C-I6N-H 174.606 121.862 8.148 27434356
I6C-N-H 175.787 121.862 8.148 129259744
I6C-D7N-H 175.787 123.899 8.285 101050608
D7C-N-H 175.847 123.899 8.285 89901792
D7C-K8N-H 175.847 121.063 8.091 44416964
K8C-N-H 176.172 121.063 8.091 169584928
K8C-E9N-H 176.184 121.788 8.420 41260696
T10C-N-H 178.901 115.207 8.070 62511900
T10C-I11N-H 178.901 121.310 8.445 101232
I11C-N-H 176.280 121.310 8.445 1420188
I11C-D12N-H 176.280 124.047 8.441 19623044
D12C-N-H 177.302 124.047 8.441 25167388
D12C-L13N-H 177.302 124.545 8.597 13163252
L13C-N-H 178.734 124.545 8.597 22201672
L13C-L14N-H 178.734 115.810 7.964 9342708
L14C-N-H 178.148 115.810 7.964 28446028
L14C-A15N-H 178.148 120.047 7.460 9953700
A15C-N-H 177.064 120.047 7.460 58323600
A15C-F16N-H 177.064 117.756 7.342 12505668
F16C-N-H 176.128 117.756 7.342 37060268
F16C-T17N-H 176.128 111.728 9.270 18981924
T17C-N-H 174.422 111.728 9.270 24023012
T17C-S18N-H 174.422 114.484 7.587 6157624
S18C-N-H 173.412 114.484 7.587 27399340
S18C-V19N-H 173.412 120.433 7.933 12307128
V19C-N-H 177.287 120.433 7.933 37869112
V19C-A20N-H 177.287 121.890 7.780 14887004
A20C-N-H 180.351 121.890 7.780 58790232
A20C-E21N-H 180.351 115.672 7.355 25371308
E21C-N-H 179.230 115.672 7.355 63536120
E21C-L22N-H 179.230 118.791 7.072 15923828
L22C-N-H 178.883 118.791 7.072 21565612
L22C-E23N-H 178.883 118.158 8.059 14342608
E23C-N-H 179.120 118.158 8.059 54373924
E23C-L24N-H 179.120 115.434 6.921 18566660
L24C-N-H 178.319 115.434 6.921 43639984
L24C-L25N-H 178.319 117.467 7.719 10833588
L25C-N-H 179.179 117.467 7.719 30485152
L25C-G26N-H 179.179 102.927 7.064 5118180
G26C-N-H 172.254 102.927 7.064 31858536
G26C-L27N-H 172.254 117.529 8.308 19483948
L27C-N-H 179.139 117.529 8.308 15978704
L27C-E28N-H 179.139 119.389 8.392 9920408
E28C-N-H 178.876 119.389 8.392 41257860
E28C-K29N-H 178.876 121.936 8.838 21400036
K29C-N-H 179.057 121.936 8.838 57052624
K29C-L30N-H 179.057 115.692 7.640 16669280
L30C-N-H 178.434 115.692 7.640 22661772
L30C-K31N-H 178.434 118.574 7.726 7041984
K31C-N-H 177.884 118.574 7.726 38870816
K31C-C32N-H 177.884 117.013 8.159 73353936
C32C-N-H 177.907 117.013 8.159 56187864
C32C-E33N-H 177.907 120.148 8.180 11326884
E33C-N-H 178.943 120.148 8.180 54810568
E33C-L34N-H 178.943 120.178 8.152 36885656
L34C-N-H 179.050 120.178 8.152 27949652
L34C-M35N-H 179.050 118.066 8.550 10469340
M35C-N-H 180.461 118.066 8.550 54691276
M35C-A36N-H 180.461 122.921 8.026 21521472
A36C-N-H 179.206 122.921 8.026 41752252
A36C-L37N-H 179.206 116.183 7.058 9345136
L37C-N-H 176.393 116.183 7.058 16704740
L37C-G38N-H 176.393 106.990 7.914 5962988
G38C-N-H 175.122 106.990 7.914 28482104
G38C-L39N-H 175.122 119.740 7.961 6382248
L39C-N-H 176.506 119.740 7.961 20187800
L39C-K40N-H 176.506 120.420 8.251 7482748
K40C-N-H 178.731 120.420 8.251 40280312
K40C-C41N-H 178.731 118.595 8.292 18962448
C41C-N-H 173.186 118.595 8.292 29576580
C41C-G42N-H 173.186 109.181 7.873 8740220
G42C-N-H 173.790 109.181 7.873 23259440
G42C-G43N-H 173.790 105.418 8.409 4049680
G43C-N-H 176.256 105.418 8.409 10059512
G43C-T44N-H 176.256 111.322 8.799 9610500
T44C-N-H 174.517 111.322 8.799 29046656
T44C-L45N-H 174.517 121.813 8.944 14469824
L45C-N-H 177.401 121.813 8.944 12728256
L45C-Q46N-H 177.401 114.995 8.085 3709716
Q46C-N-H 178.849 114.995 8.085 30874824
Q46C-E47N-H 178.849 119.486 7.628 17606252
E47C-N-H 180.472 119.486 7.628 32821500
E47C-R48N-H 180.472 118.853 8.587 13085084
R48C-N-H 177.390 118.853 8.587 40432304
R48C-A49N-H 177.390 120.075 8.069 21014812
A49C-N-H 178.483 120.075 8.069 65194964
A49C-A50N-H 178.483 119.211 8.369 20326060
A50C-N-H 180.319 119.211 8.369 46846360
A50C-R51N-H 180.319 120.654 7.944 18268228
R51C-N-H 179.204 120.654 7.944 29984452
R51C-L52N-H 179.204 119.313 7.838 8947508
L52C-N-H 177.434 119.313 7.838 24524348
L52C-F53N-H 177.434 117.355 8.615 13622008
F53C-N-H 178.492 117.355 8.615 46461252
F53C-S54N-H 178.492 111.836 7.901 14920064
V55C-N-H 175.933 112.973 7.072 45560120
V55C-R56N-H 175.933 124.305 7.125 11105368
R56C-N-H 176.616 124.305 7.125 53853692
R56C-G57N-H 176.616 114.345 9.169 20669112
G57C-N-H 173.434 114.345 9.169 7707116
G57C-L58N-H 173.434 119.011 7.406 7222776
L58C-N-H 177.355 119.011 7.406 46356792
L58C-A59N-H 177.355 125.398 8.508 16780952
A59C-N-H 178.959 125.398 8.508 43369840
A59C-K60N-H 178.959 122.278 8.739 33237104
K60C-N-H 178.805 122.278 8.739 42124528
K60C-E61N-H 178.805 114.429 9.005 8696920
E61C-N-H 177.068 114.429 9.005 28591492
E61C-Q62N-H 177.068 116.783 8.030 19612804
Q62C-N-H 175.616 116.783 8.030 70242824
Q62C-I63N-H 175.616 122.354 7.206 14200256
I63C-N-H 175.082 122.354 7.206 50649928
I63C-D64N-H 175.082 129.391 8.335 29789424
D64C-N-H 175.097 129.391 8.335 29789424
P65C-A66N-H 178.670 119.720 8.448 17119828
A66C-N-H 178.966 119.720 8.448 60340848
A66C-L67N-H 178.966 116.301 8.172 19141828
L67C-N-H 176.984 116.301 8.172 27241024
L67C-F68N-H 176.984 116.558 7.136 4050904
K70C-N-H 174.031 121.130 8.180 75580936
P71C-L72N-H 176.735 122.958 8.278 36948948
L72C-N-H 177.352 122.958 8.278 30638576
L72C-K73N-H 177.352 122.257 8.228 11094140
K73C-N-H 176.743 122.257 8.228 49427124
K73C-G74N-H 176.743 110.261 8.304 11160520
G74C-N-H 173.621 110.261 8.304 23354600
G74C-K75N-H 173.621 121.028 8.100 21747280
K75C-N-H 176.360 121.028 8.100 58281364
K75C-K76N-H 176.360 123.685 8.313 28406644
K76C-N-H 175.511 123.685 8.313 41404104
K76C-K77N-H 175.511 128.277 7.907 62078008
K77C-N-H 181.109 128.277 7.907 126737128
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 15.9408 ppm . . . 12.65796 . . 30927 11
2 . . N 15 N . . 35.0000 ppm . . . 134.50580 . . 30927 11
3 . . C 13 C . . 30.0000 ppm . . . 68.19545 . . 30927 11
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_12
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_12
_Spectral_peak_list.Entry_ID 30927
_Spectral_peak_list.ID 12
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name 3DHNCACO
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignments w1 w2 w3 Data Heights
?-?-? 1.587 26.895 1.587 107284587.352813
?-?-? 1.379 24.445 1.379 22307164.935996
?-?-? 1.519 24.374 1.519 16193844.344035
?-?-? 1.536 26.533 1.536 14566685.870281
?-?-? 1.710 31.968 1.710 7567251.819536
?-?-? 1.687 31.588 1.687 6804706.367035
?-?-? 1.667 28.534 1.667 6367909.079188
?-?-? 1.710 39.014 1.710 2518820.648291
?-?-? 1.406 25.682 1.406 2033851.261211
?-?-? 1.499 42.222 1.499 905864.000000
?-?-? 1.441 27.199 1.441 829164.000000
?-?-? 1.521 29.226 1.521 713615.997139
?-?-? 1.412 26.549 1.412 533510.000000
?-?-? 1.208 27.663 1.208 479043.692941
?-?-? 1.629 41.624 1.629 168202.000000
?-?-? 1.679 42.250 1.679 149456.000000
?-?-? 1.721 33.252 1.721 25667.684897
?-?-? 1.618 26.365 1.613 168117832.545911
?-?-? 1.716 30.811 1.709 34040441.263744
?-?-? 1.455 23.772 1.445 9456364.783825
?-?-? 1.622 26.208 1.258 1860309.352607
?-?-? 1.408 24.174 1.719 1260550.603391
?-?-? 1.793 41.938 4.704 1249671.904647
?-?-? 1.645 41.237 2.845 720098.559004
?-?-? 1.397 25.480 1.984 688754.057283
?-?-? 1.624 29.197 2.000 516650.217127
?-?-? 1.698 39.535 4.719 414745.930797
?-?-? 1.794 41.532 1.590 396918.580737
?-?-? 1.280 27.959 1.771 373436.323604
?-?-? 1.265 27.882 2.327 366350.958970
?-?-? 1.514 42.522 3.913 341680.643905
?-?-? 1.215 26.813 1.950 253825.251763
?-?-? 1.614 32.038 2.313 235057.954482
?-?-? 1.577 42.924 3.624 195947.979982
?-?-? 1.511 29.502 2.305 160509.652067
?-?-? 1.509 42.950 4.161 148734.185304
?-?-? 1.640 42.058 3.147 114390.021485
?-?-? 1.721 43.778 3.862 107686.275705
?-?-? 1.604 43.091 3.894 104481.069571
?-?-? 1.513 43.005 7.419 86672.404667
?-?-? 1.703 32.606 3.906 74633.731592
?-?-? 1.763 32.495 3.981 74218.260870
?-?-? 1.573 43.774 3.988 73918.456023
?-?-? 1.497 43.122 1.164 72720.231419
?-?-? 1.754 32.724 4.193 68426.380208
?-?-? 1.290 27.871 4.432 64020.033502
?-?-? 1.204 26.200 3.997 59641.369931
?-?-? 1.581 44.822 7.111 53284.954785
?-?-? 1.362 26.032 3.904 52517.970425
?-?-? 1.605 39.636 1.595 41529703.452734
?-?-? 1.653 30.967 1.624 27636159.338318
?-?-? 1.326 23.797 1.314 13043202.329399
?-?-? 1.344 27.903 1.313 4084963.499358
?-?-? 1.345 27.944 1.388 3227213.702523
?-?-? 1.622 26.234 1.369 2845156.949500
?-?-? 1.184 28.024 1.180 2808546.721047
?-?-? 1.674 39.618 0.900 1748630.204392
?-?-? 1.271 27.362 1.661 1499669.679765
?-?-? 1.284 25.701 1.665 1406731.335108
?-?-? 1.495 24.556 1.193 1340061.037855
?-?-? 1.352 24.330 4.706 1250073.040396
?-?-? 1.159 26.026 4.705 1248371.027931
?-?-? 1.254 26.771 4.712 1106410.246099
?-?-? 1.622 26.145 1.134 1078183.752132
?-?-? 1.706 39.460 2.986 1020846.754603
?-?-? 1.685 41.277 2.528 886398.927298
?-?-? 1.348 26.027 1.891 852066.635385
?-?-? 1.505 23.735 1.853 837922.005453
?-?-? 1.666 41.849 3.310 762072.131530
?-?-? 1.589 26.027 0.856 760554.782066
?-?-? 1.279 27.316 2.038 742629.043740
?-?-? 1.574 28.956 4.685 673499.528281
?-?-? 1.266 27.832 2.454 548947.669295
?-?-? 1.269 27.799 3.335 530617.708015
?-?-? 1.533 27.887 3.340 521568.577706
?-?-? 1.294 28.405 2.262 502580.153404
?-?-? 1.294 25.010 1.833 435650.593079
?-?-? 1.523 27.897 2.452 428871.900439
?-?-? 1.327 24.426 0.813 426900.406309
?-?-? 1.595 29.475 2.153 405831.796160
?-?-? 1.735 41.401 3.689 404058.213901
?-?-? 1.717 41.456 4.370 373272.498406
?-?-? 1.389 26.188 2.048 365621.358630
?-?-? 1.800 40.766 3.819 182618.133333
?-?-? 1.224 28.426 4.676 164154.967048
?-?-? 1.446 42.584 3.737 152534.846510
?-?-? 1.669 42.537 4.144 143817.867599
?-?-? 1.769 42.050 3.864 137669.512341
?-?-? 1.764 42.972 3.646 130449.421855
?-?-? 1.237 26.251 2.231 125236.307076
?-?-? 1.419 27.269 4.765 120629.360512
?-?-? 1.579 43.102 4.125 109675.914676
?-?-? 1.596 28.358 2.102 105699.941578
?-?-? 1.336 27.304 2.178 105637.772749
?-?-? 1.286 27.861 2.647 102229.982462
?-?-? 1.692 32.472 4.611 100847.382703
?-?-? 1.580 28.381 2.407 98606.637755
?-?-? 1.103 26.316 2.895 95866.907950
?-?-? 1.283 27.768 0.809 93850.664086
?-?-? 1.675 32.673 2.074 93479.026506
?-?-? 1.650 41.362 3.077 93323.421113
?-?-? 1.678 41.885 2.427 91335.120619
?-?-? 1.421 42.523 1.651 90793.878624
?-?-? 1.605 44.807 2.532 89882.827705
?-?-? 1.503 43.165 3.763 86846.955999
?-?-? 1.592 44.294 4.516 85707.004955
?-?-? 1.595 41.487 7.279 84028.673062
?-?-? 1.595 42.349 4.856 83003.707747
?-?-? 1.241 26.718 2.881 82088.522062
?-?-? 1.753 44.753 4.290 80999.145598
?-?-? 1.158 27.831 2.839 79234.544452
?-?-? 1.127 27.333 2.643 79147.615812
?-?-? 1.657 43.717 3.993 77012.661197
?-?-? 1.538 28.569 4.540 76792.817733
?-?-? 1.376 26.578 2.606 74799.728993
?-?-? 1.573 28.538 3.962 74665.903720
?-?-? 1.349 26.574 2.263 74601.756447
?-?-? 1.683 40.969 4.557 74486.439363
?-?-? 1.376 26.457 7.486 74142.388763
?-?-? 1.347 25.502 2.919 73045.204993
?-?-? 1.182 26.214 4.925 72477.982596
?-?-? 1.758 44.832 3.774 70766.667048
?-?-? 1.703 41.364 6.941 70551.835135
?-?-? 1.784 32.561 3.859 69259.364196
?-?-? 1.762 32.619 1.281 68776.066601
?-?-? 1.734 44.456 7.595 68757.981081
?-?-? 1.625 32.445 4.459 68494.733617
?-?-? 1.575 28.618 1.960 67706.344194
?-?-? 1.453 42.472 3.996 66398.398728
?-?-? 1.348 26.127 2.805 65861.683219
?-?-? 1.682 28.377 3.761 65657.128968
?-?-? 1.755 33.323 7.243 65553.053262
?-?-? 1.653 41.426 4.229 65512.575009
?-?-? 1.789 38.817 3.700 64223.962028
?-?-? 1.538 29.128 7.131 63981.817047
?-?-? 1.195 26.333 3.345 63708.842078
?-?-? 1.640 41.328 4.011 63401.691715
?-?-? 1.563 43.921 2.180 63369.488501
?-?-? 1.735 44.317 4.455 62671.393945
?-?-? 1.671 44.730 3.072 62276.725314
?-?-? 1.630 32.908 4.276 61460.137225
?-?-? 1.593 28.415 4.280 60478.561349
?-?-? 1.146 26.718 4.238 60417.867916
?-?-? 1.669 32.917 2.737 60302.131864
?-?-? 1.445 42.375 4.297 60048.453066
?-?-? 1.772 33.547 2.537 60047.226611
?-?-? 1.338 27.930 7.415 58936.858060
?-?-? 1.548 43.207 4.373 57094.399312
?-?-? 1.753 32.699 7.009 56990.806602
?-?-? 1.362 26.002 7.464 56387.668481
?-?-? 1.716 32.681 4.437 55538.277832
?-?-? 1.641 44.891 1.129 55401.133995
?-?-? 1.548 41.928 1.986 55344.878511
?-?-? 1.616 41.336 7.626 54932.235094
?-?-? 1.334 25.670 4.610 54351.233122
?-?-? 1.478 28.968 4.050 54219.706276
?-?-? 1.743 44.288 2.361 53595.159691
?-?-? 1.692 38.604 7.586 53589.337678
?-?-? 1.429 42.568 2.304 53059.545375
?-?-? 1.368 25.644 4.435 52889.705069
?-?-? 1.418 42.458 3.372 52880.233235
?-?-? 1.559 28.923 4.228 52683.916962
?-?-? 1.589 42.329 2.346 52189.462822
?-?-? 1.345 26.124 4.160 51628.712908
?-?-? 1.656 41.405 6.852 51499.322464
?-?-? 1.501 28.979 3.722 51280.680491
?-?-? 1.504 42.521 2.224 51059.671508
?-?-? 1.679 28.223 7.341 49835.416865
?-?-? 1.107 27.163 7.383 49451.832515
?-?-? 1.601 28.711 4.378 49436.695010
?-?-? 1.618 42.347 1.935 49172.301444
?-?-? 1.131 28.235 3.921 49069.020408
?-?-? 1.633 32.302 7.344 48929.435153
?-?-? 1.573 42.286 3.379 48593.865048
?-?-? 1.510 43.964 1.867 48268.913522
?-?-? 1.186 26.217 4.133 47382.783805
?-?-? 1.189 26.075 3.578 47201.380920
?-?-? 1.344 26.008 4.281 47035.557277
?-?-? 1.439 29.149 7.460 46669.040617
?-?-? 1.787 40.934 4.461 45570.150662
?-?-? 1.681 32.597 4.097 44978.112281
?-?-? 1.571 44.218 3.088 44117.224361
?-?-? 1.515 25.483 2.897 43817.304417
?-?-? 1.743 32.923 3.009 43246.276791
?-?-? 1.397 26.497 4.356 43039.951342
?-?-? 1.674 28.507 3.618 42509.696302
?-?-? 1.189 26.267 3.204 41745.480219
?-?-? 1.740 38.251 4.604 41453.649920
?-?-? 1.375 25.020 7.024 40957.028776
?-?-? 1.420 25.625 4.561 38875.360186
?-?-? 1.737 43.750 1.353 38841.748374
?-?-? 1.738 33.266 3.767 38105.867290
?-?-? 1.453 24.362 4.814 37384.276003
?-?-? 1.394 27.849 2.373 36116.871245
?-?-? 1.797 42.068 7.214 35640.477397
?-?-? 1.438 43.391 2.545 34406.869939
?-?-? 1.541 27.794 4.860 33043.274376
?-?-? 1.607 43.509 2.298 32021.943920
?-?-? 1.466 42.502 2.924 31517.948754
?-?-? 1.614 41.840 7.389 29918.150156
?-?-? 1.239 27.847 7.131 29605.459366
?-?-? 1.344 24.524 7.131 28506.258338
?-?-? 1.763 42.747 2.278 27266.694939
?-?-? 1.352 25.602 3.628 24983.406604
?-?-? 1.209 26.803 7.650 22805.830894
?-?-? 1.704 28.619 4.068 21521.462034
?-?-? 1.560 42.730 1.834 21496.879258
?-?-? 1.756 28.034 3.263 16620.228045
?-?-? 1.848 29.065 1.848 16023277.427105
?-?-? 2.321 30.463 2.321 6522038.543752
?-?-? 2.134 33.370 2.134 6081570.000000
?-?-? 2.020 28.387 2.020 4782065.817978
?-?-? 1.932 30.184 1.932 4545587.895838
?-?-? 1.890 38.569 1.890 3546039.000004
?-?-? 2.277 35.706 2.277 2620880.483333
?-?-? 2.235 35.018 2.235 2079511.487364
?-?-? 2.128 32.075 2.128 1265166.000000
?-?-? 2.562 41.096 2.562 969350.000000
?-?-? 2.433 30.381 2.433 769235.008484
?-?-? 1.971 28.994 1.971 704218.000000
?-?-? 2.160 36.218 2.160 665375.097393
?-?-? 2.485 40.312 2.485 173015.967154
?-?-? 2.309 36.620 2.309 150248.307948
?-?-? 1.858 29.680 1.850 22740094.232223
?-?-? 1.928 29.518 2.300 3932140.695038
?-?-? 2.542 41.485 2.595 2816226.469581
?-?-? 2.292 35.445 1.701 1683008.528764
?-?-? 2.522 41.232 2.845 1193691.033583
?-?-? 2.157 36.618 2.155 973525.947369
?-?-? 2.230 33.509 1.895 505656.339065
?-?-? 2.101 31.938 1.721 369716.845022
?-?-? 2.184 36.695 1.796 334823.288071
?-?-? 1.824 42.991 3.832 164909.649113
?-?-? 1.924 40.854 3.768 145763.671488
?-?-? 1.863 40.919 4.324 142193.081644
?-?-? 2.068 36.589 2.884 119900.788386
?-?-? 2.532 40.757 1.712 114136.476008
?-?-? 2.538 40.659 4.665 96966.857923
?-?-? 2.297 37.793 3.844 83785.273616
?-?-? 2.252 37.480 1.257 83490.418159
?-?-? 2.289 36.408 4.381 82256.204272
?-?-? 1.873 42.137 4.012 59532.418200
?-?-? 2.066 28.084 3.987 56701.886490
?-?-? 2.212 35.952 4.259 56371.801072
?-?-? 2.168 36.717 4.486 54752.967863
?-?-? 2.476 40.725 1.898 53361.763284
?-?-? 2.272 37.070 4.124 50799.863882
?-?-? 1.808 42.062 2.743 50469.698256
?-?-? 2.218 33.600 2.227 41409819.706184
?-?-? 1.850 39.027 1.849 8121523.532873
?-?-? 1.854 38.841 1.265 3836597.544752
?-?-? 1.927 37.847 1.925 3687690.503351
?-?-? 2.522 41.460 2.472 3433672.831481
?-?-? 1.881 38.842 1.531 3193484.372208
?-?-? 1.931 37.795 1.416 2607145.458575
?-?-? 1.847 39.431 2.936 1771372.667385
?-?-? 2.346 35.629 4.705 1476953.409079
?-?-? 2.229 33.587 2.020 1028268.844831
?-?-? 2.226 34.922 4.703 924805.449727
?-?-? 1.877 39.433 2.782 826619.457745
?-?-? 2.520 30.676 2.146 678171.232864
?-?-? 2.281 30.162 1.696 672098.776275
?-?-? 2.207 36.185 1.829 428248.305411
?-?-? 2.286 29.675 1.648 416502.656878
?-?-? 2.499 30.190 1.627 394570.145238
?-?-? 1.857 29.476 4.720 391057.752064
?-?-? 2.189 36.693 4.676 384645.554337
?-?-? 2.280 37.290 2.910 379731.325696
?-?-? 2.202 37.733 2.523 352387.356735
?-?-? 1.918 40.980 1.554 330232.471240
?-?-? 2.091 27.834 3.345 326179.329127
?-?-? 2.262 36.603 1.896 312743.438017
?-?-? 2.246 29.903 1.553 297989.963937
?-?-? 2.225 33.356 1.577 258244.808888
?-?-? 2.307 37.266 3.118 248643.865694
?-?-? 2.492 40.111 1.506 247502.952433
?-?-? 1.854 39.022 1.134 229124.408522
?-?-? 2.386 29.745 1.584 206244.122867
?-?-? 2.512 41.243 2.339 190040.403912
?-?-? 2.215 33.486 1.235 187428.133823
?-?-? 2.508 40.753 4.327 169459.135138
?-?-? 1.884 39.549 2.580 167310.141240
?-?-? 2.224 37.672 1.552 160509.389785
?-?-? 2.288 35.530 2.632 159074.751204
?-?-? 1.874 42.574 3.920 141508.768797
?-?-? 1.951 39.146 2.689 134065.307468
?-?-? 2.248 37.060 4.598 128792.247476
?-?-? 1.906 37.834 3.131 121795.175302
?-?-? 1.926 38.166 1.579 116127.189604
?-?-? 2.587 40.781 3.687 115916.830255
?-?-? 2.525 41.823 1.505 105782.673447
?-?-? 2.531 41.405 1.421 103579.557692
?-?-? 2.423 40.830 1.176 102646.009056
?-?-? 2.449 40.038 7.082 102158.071018
?-?-? 2.520 41.258 1.683 99531.160278
?-?-? 2.561 41.265 4.869 99440.195441
?-?-? 1.897 41.828 2.581 94681.410350
?-?-? 1.911 41.408 3.879 93726.966935
?-?-? 1.833 42.467 1.594 93035.423878
?-?-? 2.499 30.800 0.823 91172.828431
?-?-? 2.565 41.323 2.130 90991.729380
?-?-? 1.824 38.210 1.982 90227.196852
?-?-? 2.245 30.202 0.822 90050.147396
?-?-? 1.852 40.289 2.432 88244.673197
?-?-? 1.880 42.062 0.864 87341.819495
?-?-? 2.271 37.626 2.603 86349.326807
?-?-? 2.496 40.723 3.222 83169.485121
?-?-? 1.848 40.269 2.335 83138.745124
?-?-? 1.942 39.069 3.770 82734.873118
?-?-? 2.560 41.358 7.341 79472.076916
?-?-? 2.251 36.072 2.476 78339.510526
?-?-? 2.585 40.200 3.868 76781.312671
?-?-? 2.194 37.206 1.333 74221.827167
?-?-? 2.180 35.707 2.812 74215.834832
?-?-? 2.131 35.999 3.098 73886.638223
?-?-? 1.979 40.987 3.941 73798.937020
?-?-? 2.566 31.779 3.389 72498.402600
?-?-? 1.872 39.696 4.098 70417.497138
?-?-? 1.904 39.893 7.440 70409.256247
?-?-? 1.963 38.261 7.138 69294.737847
?-?-? 2.138 36.758 2.666 68815.933001
?-?-? 1.998 40.748 4.436 68245.771122
?-?-? 1.869 42.366 4.297 67802.439168
?-?-? 2.218 36.082 6.858 67687.321785
?-?-? 2.258 36.772 0.801 67114.994934
?-?-? 2.142 32.135 3.558 67038.516317
?-?-? 2.398 39.797 3.398 65634.181787
?-?-? 1.896 42.764 7.350 65628.935406
?-?-? 2.216 35.643 7.586 65403.486399
?-?-? 2.245 36.002 3.011 65082.208872
?-?-? 2.141 31.951 7.137 64512.100712
?-?-? 2.587 41.111 3.235 63407.740914
?-?-? 1.837 40.134 3.864 62713.620514
?-?-? 2.044 31.666 4.123 62590.815602
?-?-? 1.876 40.254 2.091 62522.060061
?-?-? 2.350 35.481 4.166 61250.435652
?-?-? 2.440 29.956 7.075 60663.296146
?-?-? 2.044 32.644 4.776 60534.288019
?-?-? 2.386 36.276 4.027 60180.634100
?-?-? 2.205 37.074 1.460 59838.198404
?-?-? 2.460 40.421 3.973 59648.063658
?-?-? 2.307 37.828 1.165 58569.248067
?-?-? 2.070 28.368 4.466 57392.313967
?-?-? 2.511 41.155 1.908 57176.362125
?-?-? 1.948 40.221 4.036 56210.201149
?-?-? 1.821 38.553 4.393 56201.224291
?-?-? 2.291 37.192 3.334 56053.340312
?-?-? 2.467 30.026 4.152 55925.811298
?-?-? 1.819 39.425 7.645 55539.172894
?-?-? 1.904 40.686 7.066 55248.926530
?-?-? 1.955 42.115 3.632 55222.266889
?-?-? 2.090 36.838 7.259 54487.199360
?-?-? 1.895 39.607 6.897 54348.826439
?-?-? 2.327 36.711 3.774 53289.277218
?-?-? 1.862 42.980 7.604 53175.275490
?-?-? 1.861 30.282 7.126 53074.062479
?-?-? 2.587 31.381 3.800 52940.059663
?-?-? 2.175 36.478 4.408 52530.144118
?-?-? 1.897 42.055 4.192 52470.745770
?-?-? 2.159 36.973 6.979 51891.179942
?-?-? 1.860 40.696 3.606 51653.874402
?-?-? 2.055 28.059 4.123 50499.244496
?-?-? 2.561 32.030 7.645 50421.008130
?-?-? 2.445 30.241 4.540 49307.466790
?-?-? 1.870 40.252 7.376 49024.346730
?-?-? 1.967 40.856 4.227 48131.812472
?-?-? 2.433 40.222 4.125 46996.658481
?-?-? 1.805 39.207 4.073 45736.267187
?-?-? 1.956 28.434 4.431 45529.262304
?-?-? 1.882 43.093 7.166 44060.040193
?-?-? 2.059 31.628 3.154 43980.993174
?-?-? 1.828 42.541 3.105 42496.691346
?-?-? 1.943 40.289 7.192 42369.876406
?-?-? 2.508 30.188 3.051 41865.072495
?-?-? 2.198 36.239 3.886 41761.874328
?-?-? 2.567 32.548 4.296 40619.049239
?-?-? 2.423 29.688 4.038 39906.452728
?-?-? 2.217 36.640 7.226 39516.800684
?-?-? 2.337 30.204 7.646 38969.781348
?-?-? 2.150 36.421 1.096 38779.457747
?-?-? 1.840 42.122 1.287 38194.235363
?-?-? 1.856 43.091 3.378 37996.620897
?-?-? 1.898 28.842 4.199 37305.057561
?-?-? 2.047 29.486 7.467 36921.881738
?-?-? 2.573 32.024 3.911 36530.058232
?-?-? 1.971 28.589 3.811 36198.734864
?-?-? 2.141 35.888 7.023 35419.008971
?-?-? 2.396 40.703 7.271 35353.333303
?-?-? 2.290 37.347 1.378 33162.264540
?-?-? 2.302 35.907 4.482 33053.801367
?-?-? 2.277 36.181 2.750 32496.930981
?-?-? 2.393 36.260 7.372 31791.927679
?-?-? 2.260 29.725 6.933 30813.238710
?-?-? 2.149 34.973 3.835 30104.194730
?-?-? 2.233 35.701 3.718 28066.286965
?-?-? 2.512 40.006 3.705 27439.845352
?-?-? 2.465 39.649 4.157 27236.900625
?-?-? 1.857 38.061 4.336 27050.915946
?-?-? 1.947 41.979 2.211 26710.711870
?-?-? 1.834 38.437 4.493 26220.125715
?-?-? 2.175 31.432 3.739 24471.735052
?-?-? 2.063 29.126 2.504 24173.929684
?-?-? 1.903 39.540 4.783 20247.776440
?-?-? 2.049 31.977 2.512 16408.838515
?-?-? 2.922 39.426 2.922 318374097.308876
?-?-? 2.935 39.038 2.935 240574400.330780
?-?-? 2.810 40.312 2.810 2849944.000000
?-?-? 3.051 40.228 3.051 910694.835085
?-?-? 3.205 39.038 3.205 646547.020900
?-?-? 2.634 32.145 2.634 46828.312944
?-?-? 3.128 40.669 3.129 24496311.925032
?-?-? 2.930 39.496 2.634 2457867.156690
?-?-? 2.918 39.453 2.181 805661.908269
?-?-? 2.924 39.610 1.642 746030.233035
?-?-? 2.911 39.361 1.860 723321.960270
?-?-? 2.900 39.509 1.506 574417.257679
?-?-? 2.941 39.543 1.238 553784.470059
?-?-? 2.923 39.510 1.381 475559.420154
?-?-? 2.726 40.812 4.736 300567.860374
?-?-? 3.237 30.095 1.334 188908.304138
?-?-? 3.236 39.546 1.596 175470.124556
?-?-? 3.345 30.483 2.451 135131.178117
?-?-? 2.617 32.555 2.117 104197.191627
?-?-? 2.664 32.670 2.674 103916.157603
?-?-? 3.003 26.091 4.059 86869.490505
?-?-? 2.644 32.145 1.895 76348.082235
?-?-? 3.189 39.134 4.052 70566.002622
?-?-? 3.359 29.674 3.688 65395.695840
?-?-? 2.651 31.798 4.076 49160.520653
?-?-? 3.024 44.714 3.898 46183.551861
?-?-? 3.152 44.456 1.671 42740.583652
?-?-? 2.986 26.051 3.959 41043.368853
?-?-? 2.879 39.359 2.842 30549155.652042
?-?-? 2.699 31.983 4.706 2080757.918866
?-?-? 2.906 39.342 2.528 1740618.580436
?-?-? 2.920 39.411 2.376 1111355.580609
?-?-? 2.921 39.421 2.300 887144.852210
?-?-? 2.922 39.462 2.046 723493.905885
?-?-? 3.101 40.717 3.903 621440.854712
?-?-? 3.263 39.433 2.859 410266.152779
?-?-? 2.916 39.491 0.890 401139.017320
?-?-? 2.986 26.114 1.864 337549.659768
?-?-? 3.139 26.108 1.926 333108.148926
?-?-? 3.224 30.222 1.761 293761.831723
?-?-? 3.298 29.766 4.666 255891.636052
?-?-? 2.675 32.058 2.311 241650.924896
?-?-? 2.819 40.889 3.830 240169.596917
?-?-? 3.116 40.843 1.566 236682.772552
?-?-? 3.239 29.611 1.738 205160.886055
?-?-? 3.342 29.670 2.559 196743.819555
?-?-? 3.363 30.201 1.916 193810.491162
?-?-? 2.714 31.399 1.764 189294.887930
?-?-? 3.288 39.034 3.308 187870.112625
?-?-? 2.618 40.633 1.534 181009.648617
?-?-? 3.200 38.339 4.671 177896.183697
?-?-? 3.266 30.089 1.636 167048.394283
?-?-? 3.346 30.359 2.264 151963.916359
?-?-? 2.640 41.846 3.906 147233.611993
?-?-? 2.610 40.908 1.777 145235.064783
?-?-? 3.074 43.825 4.663 144936.557957
?-?-? 3.394 29.881 1.999 136165.432312
?-?-? 2.728 32.336 1.738 124042.386948
?-?-? 3.371 30.212 2.087 120675.131186
?-?-? 3.146 26.014 0.867 117254.868242
?-?-? 3.297 30.333 3.205 105870.287935
?-?-? 3.276 38.276 1.504 104488.684522
?-?-? 3.297 39.658 1.677 102944.060461
?-?-? 3.036 25.938 2.436 99059.107235
?-?-? 3.191 39.356 3.925 96399.935676
?-?-? 3.095 27.169 3.078 95900.537811
?-?-? 3.137 26.628 4.631 93725.568673
?-?-? 3.091 43.737 4.014 93671.784196
?-?-? 3.237 38.929 3.715 87022.382556
?-?-? 3.135 44.528 3.715 86811.406253
?-?-? 3.311 30.142 4.562 84916.089527
?-?-? 3.259 38.975 1.298 82116.175292
?-?-? 3.146 26.580 1.750 81396.181115
?-?-? 3.260 39.445 7.305 79257.529452
?-?-? 3.088 26.249 1.322 79080.641583
?-?-? 3.200 39.568 3.846 77441.758411
?-?-? 3.235 38.965 2.034 74281.711921
?-?-? 3.279 30.194 7.269 73779.049216
?-?-? 3.284 29.713 4.373 73420.514023
?-?-? 3.284 38.834 4.437 73065.906378
?-?-? 2.612 32.138 2.529 70692.222854
?-?-? 3.316 30.589 2.928 69016.709772
?-?-? 3.281 30.726 1.538 68726.617605
?-?-? 2.659 41.685 4.366 67954.574378
?-?-? 3.280 38.792 1.436 67284.777090
?-?-? 3.312 30.358 4.108 66828.789887
?-?-? 3.085 26.694 2.241 66332.409462
?-?-? 2.997 44.419 2.205 66011.372857
?-?-? 3.367 30.207 3.369 65469.021226
?-?-? 3.055 43.759 4.523 65410.981924
?-?-? 3.095 44.643 4.446 65280.117506
?-?-? 3.271 39.460 2.141 64958.592886
?-?-? 3.084 43.725 1.889 63997.325714
?-?-? 3.012 45.010 1.802 63863.077610
?-?-? 2.601 31.947 2.942 62345.465374
?-?-? 2.980 26.444 7.125 61844.388719
?-?-? 3.152 38.413 7.516 60811.014196
?-?-? 2.619 41.361 1.274 59656.272651
?-?-? 2.614 31.456 3.995 59398.501509
?-?-? 3.097 44.302 2.696 58594.156728
?-?-? 2.630 32.475 7.249 57779.347669
?-?-? 3.162 43.849 2.471 57764.895814
?-?-? 3.156 44.443 3.795 57616.210163
?-?-? 3.307 30.277 3.846 57111.794164
?-?-? 2.614 31.495 4.412 50346.712928
?-?-? 2.716 31.867 7.369 46985.464263
?-?-? 3.125 44.261 1.398 46825.758485
?-?-? 3.036 44.795 1.125 46662.612480
?-?-? 3.143 25.939 3.741 45055.187524
?-?-? 3.223 38.580 4.294 44948.006753
?-?-? 2.731 32.641 7.486 44609.431810
?-?-? 3.025 43.773 2.600 40733.029225
?-?-? 3.064 44.293 7.578 39803.164544
?-?-? 3.167 39.380 7.023 39496.624689
?-?-? 2.749 32.442 1.562 36522.222813
?-?-? 3.209 39.136 4.192 35867.935495
?-?-? 2.732 32.231 0.862 31748.806281
?-?-? 3.001 44.088 7.377 30908.787992
?-?-? 3.356 29.655 3.917 30344.848159
?-?-? 3.278 30.507 4.208 25616.990945
?-?-? 3.039 26.646 7.345 20905.779967
?-?-? 3.092 44.356 3.085 17130.614773
?-?-? 4.073 54.835 4.073 37287534.489665
?-?-? 4.043 55.433 4.043 19826031.077551
?-?-? 4.128 58.776 4.128 11264245.957652
?-?-? 4.125 58.394 4.125 10976092.445511
?-?-? 4.151 53.653 4.151 8808721.848281
?-?-? 3.759 57.356 3.759 8716326.668389
?-?-? 4.002 54.923 4.002 8503592.536125
?-?-? 3.761 55.340 3.761 7680887.972431
?-?-? 4.071 56.686 4.071 7280869.769464
?-?-? 3.694 43.562 3.694 6564592.983458
?-?-? 3.751 58.141 3.751 5049449.693520
?-?-? 3.899 57.085 3.899 4583129.079105
?-?-? 3.967 60.099 3.967 4178802.278222
?-?-? 4.155 57.368 4.155 3910971.625875
?-?-? 4.174 55.038 4.174 3910143.686046
?-?-? 3.625 60.074 3.625 3509478.481653
?-?-? 4.009 52.718 4.009 3150713.253338
?-?-? 4.141 59.244 4.141 2293140.000000
?-?-? 3.992 56.402 3.992 2155556.893081
?-?-? 3.909 54.819 3.909 2087818.493027
?-?-? 3.615 59.653 3.615 2051480.239641
?-?-? 4.160 61.200 4.160 2034113.985228
?-?-? 4.050 59.298 4.050 1706433.774176
?-?-? 3.743 62.043 3.743 1475960.320544
?-?-? 3.700 44.228 3.700 1070560.415932
?-?-? 4.167 55.943 4.167 765453.998997
?-?-? 4.116 52.539 4.116 733698.000000
?-?-? 3.813 43.270 3.813 697728.000000
?-?-? 3.788 63.856 3.788 656576.000000
?-?-? 4.003 58.062 4.003 622002.000000
?-?-? 3.947 58.977 3.947 164680.000000
?-?-? 3.840 58.982 3.840 137384.000000
?-?-? 4.143 45.242 4.143 131592.000000
?-?-? 3.933 52.815 3.929 17482593.390162
?-?-? 3.876 54.225 3.868 10046343.598543
?-?-? 4.059 60.297 4.066 7668345.862680
?-?-? 3.822 63.476 3.766 7024217.628094
?-?-? 3.841 63.514 3.890 6663903.092160
?-?-? 4.170 60.555 4.168 5099644.289967
?-?-? 3.985 57.305 3.972 4127223.916111
?-?-? 4.196 71.917 4.711 845190.769643
?-?-? 4.196 61.177 3.803 808340.732814
?-?-? 3.771 43.526 4.710 756760.587473
?-?-? 3.992 56.620 3.636 431990.778900
?-?-? 3.956 60.429 4.405 427167.803183
?-?-? 4.140 58.811 3.775 417036.763667
?-?-? 4.144 55.999 4.512 270767.781857
?-?-? 3.699 43.132 3.386 241420.543224
?-?-? 4.051 54.659 3.038 187085.570404
?-?-? 4.117 55.333 2.928 186175.029340
?-?-? 4.074 54.743 3.217 174813.344632
?-?-? 4.065 54.745 2.671 144237.043018
?-?-? 3.710 43.108 2.443 137161.525357
?-?-? 3.827 57.050 3.068 127264.973526
?-?-? 4.143 57.895 2.469 116896.121733
?-?-? 4.091 56.307 1.952 113278.939185
?-?-? 4.077 54.900 1.728 104013.099353
?-?-? 4.075 54.734 2.088 97152.501148
?-?-? 4.011 52.643 2.879 97139.684471
?-?-? 3.831 56.552 1.250 96304.312169
?-?-? 3.959 60.671 3.024 94120.726021
?-?-? 4.070 58.899 1.776 92695.222383
?-?-? 3.956 60.691 1.721 91081.073151
?-?-? 4.105 55.403 1.495 90292.541875
?-?-? 4.000 56.016 1.493 88980.426395
?-?-? 3.671 57.231 4.481 87744.754129
?-?-? 3.915 56.919 1.928 87123.213320
?-?-? 3.825 56.539 2.278 83789.272831
?-?-? 4.179 58.460 2.032 83291.720500
?-?-? 3.529 60.220 2.196 82922.300203
?-?-? 4.071 61.187 2.324 82180.786898
?-?-? 3.623 45.363 7.120 78944.691679
?-?-? 4.199 57.180 1.691 76550.911758
?-?-? 3.910 44.949 4.275 74668.503201
?-?-? 4.103 58.467 1.449 74000.899873
?-?-? 3.882 57.578 2.864 73683.912320
?-?-? 4.184 57.748 1.489 71671.192658
?-?-? 3.959 57.752 1.405 71542.693175
?-?-? 4.179 55.468 0.842 67858.098812
?-?-? 4.126 56.243 1.439 67130.049421
?-?-? 4.086 52.393 1.451 67029.299191
?-?-? 3.878 56.394 1.870 65869.208975
?-?-? 3.901 65.846 4.207 63572.959015
?-?-? 3.658 43.598 1.951 63199.718851
?-?-? 3.580 46.092 1.355 61009.042154
?-?-? 3.758 68.307 1.945 60005.303437
?-?-? 3.914 44.718 4.432 58715.014123
?-?-? 3.786 67.647 2.178 55282.050150
?-?-? 4.167 45.903 1.500 51873.435133
?-?-? 3.579 61.678 2.175 51007.513357
?-?-? 3.761 57.938 1.681 50366.467466
?-?-? 3.698 67.248 4.159 47455.321903
?-?-? 4.106 52.405 7.147 45743.475605
?-?-? 3.840 54.684 2.231 45639.162497
?-?-? 3.647 59.815 7.623 43855.505357
?-?-? 4.103 64.141 3.004 35350.344473
?-?-? 3.894 60.848 3.891 28951887.291182
?-?-? 3.875 42.692 3.866 19206926.643954
?-?-? 3.849 56.604 3.841 11313074.493915
?-?-? 4.161 54.233 4.148 10547755.893294
?-?-? 3.750 59.344 3.743 6313886.470777
?-?-? 4.043 60.349 3.970 4995312.488616
?-?-? 3.848 42.771 4.158 2374706.549908
?-?-? 3.521 58.894 4.706 1916799.429361
?-?-? 4.019 58.250 4.700 1696818.284345
?-?-? 3.565 62.622 3.566 1508634.761788
?-?-? 3.832 64.303 4.696 1288207.943205
?-?-? 4.171 53.602 4.705 1088877.588469
?-?-? 3.826 55.372 4.711 1040264.627208
?-?-? 3.840 55.461 4.409 854600.710121
?-?-? 3.874 59.863 4.714 632779.719241
?-?-? 4.026 45.847 4.029 409645.555868
?-?-? 4.108 54.808 3.681 404048.964888
?-?-? 3.593 60.500 4.340 372120.158216
?-?-? 3.909 54.191 4.869 342662.923176
?-?-? 4.148 57.760 4.514 328950.496243
?-?-? 4.067 54.345 3.562 319343.682195
?-?-? 3.698 58.964 4.213 310018.699970
?-?-? 3.746 59.333 4.497 283588.838883
?-?-? 4.156 58.390 3.836 277024.743998
?-?-? 3.842 67.691 4.392 271283.532553
?-?-? 3.659 61.356 4.028 257445.955135
?-?-? 3.897 60.881 3.563 241800.782458
?-?-? 4.043 54.867 3.346 208390.143516
?-?-? 3.961 44.924 3.639 201534.859172
?-?-? 3.749 54.978 4.171 196577.635011
?-?-? 4.145 58.558 3.672 194264.479148
?-?-? 3.725 42.583 3.316 193766.567753
?-?-? 3.678 43.176 3.242 189962.504345
?-?-? 4.078 53.703 7.276 183520.861220
?-?-? 4.068 56.144 4.455 175021.272470
?-?-? 3.751 42.972 3.186 172569.111972
?-?-? 3.958 56.616 4.502 170508.313477
?-?-? 4.148 53.727 2.560 157232.367156
?-?-? 3.786 42.697 3.105 149582.016192
?-?-? 3.694 56.604 3.120 144284.562951
?-?-? 4.062 52.600 3.372 143398.348510
?-?-? 3.898 60.671 3.262 141538.588452
?-?-? 3.686 67.606 4.657 135004.971593
?-?-? 4.153 58.387 3.357 131713.752955
?-?-? 4.056 54.787 2.893 129567.603053
?-?-? 3.857 56.328 3.304 129371.135602
?-?-? 3.764 56.943 3.225 129321.280088
?-?-? 4.114 54.676 1.255 129169.776414
?-?-? 3.896 60.876 2.829 127960.273801
?-?-? 4.103 57.808 3.289 126373.125623
?-?-? 4.167 52.103 2.581 126138.581886
?-?-? 4.120 54.989 2.417 125383.903429
?-?-? 4.149 59.089 3.571 125111.429428
?-?-? 3.560 60.226 4.515 123155.234261
?-?-? 4.185 52.543 2.201 122324.608301
?-?-? 3.939 56.780 3.010 121579.932214
?-?-? 3.985 53.046 2.757 120730.472952
?-?-? 4.050 55.372 1.388 119931.039404
?-?-? 3.572 60.161 4.082 119411.201413
?-?-? 4.161 59.406 3.421 119306.544414
?-?-? 4.115 54.390 2.258 117682.863200
?-?-? 4.107 58.397 2.334 116216.664163
?-?-? 4.120 54.195 1.936 116072.721698
?-?-? 4.012 57.043 3.405 116008.085648
?-?-? 4.137 54.237 7.175 115939.525964
?-?-? 3.711 57.716 2.888 115364.456639
?-?-? 4.066 56.191 2.978 114845.684987
?-?-? 4.146 58.704 3.187 114300.041532
?-?-? 3.867 63.468 3.052 113989.993842
?-?-? 3.830 42.538 1.676 113539.033625
?-?-? 3.979 52.572 3.249 113481.500927
?-?-? 4.107 57.406 1.142 112834.094812
?-?-? 3.718 62.547 3.298 112298.604866
?-?-? 4.088 44.911 3.680 112255.647053
?-?-? 3.608 43.488 2.738 111860.538682
?-?-? 4.111 54.884 2.283 111459.729640
?-?-? 4.124 55.338 2.038 111012.837376
?-?-? 3.707 62.282 3.077 109394.729322
?-?-? 3.579 59.397 4.822 107600.559306
?-?-? 3.752 57.102 2.707 106390.363394
?-?-? 4.097 54.949 2.806 106071.877372
?-?-? 3.958 59.469 4.472 105385.707944
?-?-? 4.124 46.006 4.572 105326.334864
?-?-? 3.964 56.979 3.160 105159.160398
?-?-? 4.021 52.531 1.826 104960.579839
?-?-? 4.015 60.191 2.765 104124.113434
?-?-? 3.902 65.987 4.837 103751.823419
?-?-? 4.117 59.346 2.520 103131.901366
?-?-? 3.611 44.355 1.546 102287.498379
?-?-? 3.627 60.137 4.287 101216.830967
?-?-? 3.521 60.019 1.512 101130.356873
?-?-? 3.961 53.201 2.859 101071.007338
?-?-? 3.918 60.911 2.278 100501.498516
?-?-? 4.149 54.368 1.104 100052.166263
?-?-? 4.009 54.157 1.328 99769.432771
?-?-? 4.001 52.380 2.661 99691.934586
?-?-? 3.625 60.489 4.668 98958.782761
?-?-? 4.059 52.473 0.821 98907.389326
?-?-? 3.969 52.487 3.153 98721.208483
?-?-? 4.150 57.973 2.922 98703.192307
?-?-? 4.114 58.576 2.754 97905.053157
?-?-? 4.120 59.320 1.094 97185.230334
?-?-? 3.730 55.789 2.300 97135.147742
?-?-? 4.193 58.574 0.805 96898.565428
?-?-? 3.948 44.943 3.928 95705.738393
?-?-? 4.187 59.392 3.328 95252.290722
?-?-? 3.970 59.941 0.884 94982.884285
?-?-? 3.585 60.342 3.379 94049.062570
?-?-? 3.748 59.094 3.361 93943.228141
?-?-? 4.089 53.247 1.817 93908.043341
?-?-? 3.848 42.994 2.852 93708.616278
?-?-? 3.731 58.098 3.024 93200.597443
?-?-? 4.038 58.970 2.778 92399.669159
?-?-? 4.076 54.708 0.802 92026.668047
?-?-? 4.168 59.383 2.974 91973.527412
?-?-? 4.086 54.600 2.163 91920.900610
?-?-? 3.556 45.065 6.875 91120.655732
?-?-? 3.836 55.331 4.256 91093.549520
?-?-? 3.946 45.930 3.394 90861.663580
?-?-? 3.742 65.842 4.345 90693.423907
?-?-? 3.805 56.715 2.106 90581.827047
?-?-? 3.718 57.765 0.849 90372.906785
?-?-? 4.087 57.949 3.069 90124.274924
?-?-? 4.046 55.443 2.395 89167.078058
?-?-? 3.567 62.926 3.235 88567.812476
?-?-? 3.950 52.622 2.026 88200.438354
?-?-? 4.040 55.623 1.630 87789.375364
?-?-? 3.810 44.634 7.542 87139.582546
?-?-? 3.721 56.763 1.341 86770.332624
?-?-? 3.605 60.615 3.945 86555.782288
?-?-? 4.072 55.424 2.526 86536.495274
?-?-? 3.951 54.155 1.998 86531.735634
?-?-? 3.563 60.015 3.283 86271.869939
?-?-? 3.774 55.295 2.824 85951.182590
?-?-? 3.899 57.834 2.010 85925.728128
?-?-? 3.886 56.371 2.434 85838.819099
?-?-? 4.024 57.547 2.859 85757.519529
?-?-? 3.760 62.524 1.794 85434.142372
?-?-? 3.730 62.663 1.125 85409.232542
?-?-? 4.182 54.189 1.519 85266.118382
?-?-? 3.625 42.852 2.559 85209.728102
?-?-? 4.112 55.756 1.628 85013.631224
?-?-? 4.109 60.604 1.481 84245.625496
?-?-? 4.022 63.494 2.428 83835.936230
?-?-? 3.866 57.427 1.336 83637.253147
?-?-? 4.053 57.739 2.303 83253.466583
?-?-? 4.053 55.865 2.353 82845.177121
?-?-? 3.919 54.270 7.138 82817.869337
?-?-? 4.190 56.103 1.624 82214.668463
?-?-? 3.801 58.462 1.165 82203.803978
?-?-? 3.559 45.058 7.632 81974.216338
?-?-? 3.742 63.610 3.180 81896.390841
?-?-? 3.992 45.257 1.257 81503.083730
?-?-? 4.036 55.351 1.800 81308.388109
?-?-? 3.683 54.965 7.418 81140.063326
?-?-? 3.822 55.167 2.696 80436.149673
?-?-? 4.106 54.811 1.857 80383.127583
?-?-? 3.821 58.195 2.912 80000.204367
?-?-? 3.689 43.792 2.102 79808.249622
?-?-? 3.628 44.232 2.239 79670.254231
?-?-? 3.699 43.190 2.340 78985.672023
?-?-? 3.917 56.690 2.246 78962.904304
?-?-? 4.190 59.491 1.736 78936.022761
?-?-? 4.067 56.492 2.135 78709.781466
?-?-? 3.894 60.649 2.498 78501.366153
?-?-? 3.561 62.624 2.817 78455.922021
?-?-? 3.700 59.605 3.139 78423.952137
?-?-? 3.837 68.429 2.921 78122.115142
?-?-? 4.187 58.981 2.292 78021.015877
?-?-? 3.598 62.413 7.057 77973.316484
?-?-? 3.915 60.768 1.261 77865.351821
?-?-? 4.137 55.273 1.583 77851.776795
?-?-? 4.165 70.885 2.069 77513.793765
?-?-? 3.937 54.097 1.457 77387.511326
?-?-? 4.176 58.687 1.447 77177.435161
?-?-? 4.058 53.060 1.731 77168.788073
?-?-? 3.623 43.491 0.855 77167.334609
?-?-? 3.787 58.416 4.829 76909.188272
?-?-? 3.986 52.309 2.240 76427.783442
?-?-? 3.980 55.537 0.893 76417.457831
?-?-? 3.766 67.784 1.447 76394.601728
?-?-? 3.664 58.701 1.500 76027.629674
?-?-? 3.972 63.635 1.718 75958.630685
?-?-? 3.849 67.365 7.077 75771.821143
?-?-? 3.674 44.978 4.409 75504.193359
?-?-? 3.608 59.769 2.354 75461.328434
?-?-? 4.129 55.250 2.202 75040.449140
?-?-? 3.663 60.214 2.881 74617.021889
?-?-? 3.760 58.233 2.269 74262.005970
?-?-? 3.728 43.145 2.592 74159.534368
?-?-? 4.048 52.638 2.519 73460.312672
?-?-? 3.840 67.142 7.200 73390.563087
?-?-? 3.636 43.796 2.381 73095.859330
?-?-? 4.057 51.919 1.256 73004.999740
?-?-? 3.663 59.322 6.886 73003.150566
?-?-? 3.829 42.955 2.181 72550.387309
?-?-? 3.905 60.956 2.367 72405.764428
?-?-? 3.825 61.429 1.901 72144.576501
?-?-? 4.108 59.962 1.370 71810.549035
?-?-? 3.814 43.599 1.334 71668.966573
?-?-? 4.040 57.164 2.491 71664.900660
?-?-? 3.640 59.528 7.495 71537.834355
?-?-? 4.152 62.686 1.500 71489.309604
?-?-? 3.965 45.212 1.444 71373.157565
?-?-? 4.055 45.905 3.115 71353.343102
?-?-? 4.039 59.324 1.823 71210.861143
?-?-? 4.027 60.016 2.066 70840.106565
?-?-? 3.970 53.218 2.476 70822.979259
?-?-? 3.669 60.603 2.517 70761.130573
?-?-? 4.125 58.590 1.306 70644.683823
?-?-? 3.812 43.087 1.834 70495.347241
?-?-? 4.173 71.248 7.161 70281.587253
?-?-? 3.991 63.150 1.496 70095.891583
?-?-? 3.771 66.671 1.796 70038.636151
?-?-? 4.133 58.489 2.894 69954.444602
?-?-? 3.714 67.252 4.569 69408.669935
?-?-? 3.597 59.094 7.344 69318.750207
?-?-? 3.925 56.548 1.658 69300.549898
?-?-? 4.176 58.228 2.545 69157.807775
?-?-? 3.883 60.647 1.890 68911.976855
?-?-? 3.870 42.906 1.231 68858.889601
?-?-? 3.897 56.760 0.887 68401.124400
?-?-? 3.779 58.898 2.046 68399.966588
?-?-? 3.745 66.034 7.179 68291.189056
?-?-? 3.946 55.409 1.543 68179.979824
?-?-? 3.814 67.069 1.285 67795.693891
?-?-? 3.621 61.806 1.505 67323.145090
?-?-? 3.782 59.315 2.614 67024.268895
?-?-? 3.995 60.657 7.179 66887.445564
?-?-? 3.699 56.078 0.938 66436.782630
?-?-? 3.659 58.952 1.815 66293.022455
?-?-? 3.764 57.834 2.471 66188.782532
?-?-? 3.650 43.545 3.003 66080.990309
?-?-? 3.873 60.362 1.430 65925.606806
?-?-? 4.134 45.351 7.194 65816.864481
?-?-? 4.132 58.972 2.407 65755.681303
?-?-? 4.133 71.546 1.480 65692.228158
?-?-? 4.148 61.818 2.693 65687.833708
?-?-? 3.897 59.534 7.545 65512.345304
?-?-? 3.581 45.547 0.868 64710.475072
?-?-? 3.810 67.005 7.584 64629.645714
?-?-? 3.953 64.124 2.879 64524.320979
?-?-? 4.031 44.928 3.828 64496.123115
?-?-? 4.044 57.159 2.158 64058.377712
?-?-? 3.603 46.029 1.669 63689.211204
?-?-? 4.011 60.034 2.545 63615.057299
?-?-? 4.177 52.933 1.574 63275.595971
?-?-? 3.800 66.496 3.679 63066.261654
?-?-? 4.148 62.944 7.418 63031.217102
?-?-? 3.793 58.927 2.381 62888.494214
?-?-? 4.188 57.158 2.689 62874.677527
?-?-? 3.689 46.068 4.931 62795.333333
?-?-? 4.102 52.685 1.574 62724.621349
?-?-? 3.808 45.333 7.589 62651.176337
?-?-? 3.885 54.138 7.610 62594.924695
?-?-? 4.186 63.199 1.841 62399.752835
?-?-? 3.799 59.529 1.223 62356.788177
?-?-? 3.878 45.020 3.884 62340.226645
?-?-? 3.931 53.272 1.403 62314.881475
?-?-? 3.975 46.032 2.238 62300.128155
?-?-? 3.610 61.767 1.969 62173.512211
?-?-? 3.682 56.616 1.941 62028.408407
?-?-? 3.531 60.366 2.408 61958.679460
?-?-? 3.771 57.323 2.029 61953.192248
?-?-? 3.716 55.836 1.726 61932.780024
?-?-? 3.963 57.683 2.176 61866.602325
?-?-? 3.777 42.894 7.435 61376.154205
?-?-? 3.682 43.151 1.759 61364.236884
?-?-? 3.995 58.370 4.446 61353.479388
?-?-? 4.126 60.655 2.429 61141.721340
?-?-? 3.732 58.504 2.575 60933.580292
?-?-? 3.886 65.472 1.492 60896.194220
?-?-? 3.783 61.336 1.450 60833.749134
?-?-? 3.658 45.089 4.216 60761.669065
?-?-? 3.970 45.077 1.847 60596.844887
?-?-? 4.137 61.247 3.204 60548.771114
?-?-? 3.665 58.243 7.274 60374.516823
?-?-? 4.153 61.253 0.864 60358.518895
?-?-? 4.076 44.770 4.411 60296.847610
?-?-? 3.860 63.396 3.253 60151.344858
?-?-? 3.786 67.510 3.208 59753.238247
?-?-? 4.136 71.582 1.670 59725.492434
?-?-? 3.871 65.487 6.954 59718.627648
?-?-? 3.559 45.732 1.990 59678.231799
?-?-? 3.920 45.549 1.621 59554.979699
?-?-? 3.843 64.349 2.934 59523.628701
?-?-? 4.183 63.367 2.076 59501.122702
?-?-? 4.027 59.472 7.384 59468.210225
?-?-? 3.667 45.349 2.887 59056.032151
?-?-? 3.611 59.839 1.768 59020.641313
?-?-? 4.113 63.780 7.385 58816.593974
?-?-? 3.857 63.101 1.751 58756.324795
?-?-? 4.184 70.614 3.710 58605.276044
?-?-? 3.988 60.062 7.471 58308.213768
?-?-? 4.054 45.237 7.153 58259.351666
?-?-? 3.702 56.917 7.599 58229.545919
?-?-? 3.827 63.219 1.526 58085.510232
?-?-? 4.112 58.078 0.856 58029.492657
?-?-? 3.844 64.268 4.474 57819.521402
?-?-? 3.837 45.882 2.567 57812.437507
?-?-? 3.961 58.204 1.589 57546.961273
?-?-? 3.756 59.454 7.247 57433.082951
?-?-? 3.729 67.618 1.205 57175.427899
?-?-? 4.078 55.348 1.128 57146.673864
?-?-? 3.796 55.204 1.518 56876.089232
?-?-? 3.788 55.914 1.425 56871.758130
?-?-? 4.044 58.338 2.089 56186.171354
?-?-? 4.171 59.489 1.590 56041.488421
?-?-? 3.834 45.985 1.915 55488.343426
?-?-? 4.168 70.773 3.796 55164.606321
?-?-? 3.630 59.429 2.674 55153.163307
?-?-? 3.640 43.650 1.802 55078.850261
?-?-? 4.042 59.042 2.660 54790.830568
?-?-? 4.195 58.908 1.170 54775.473975
?-?-? 3.552 63.062 4.049 54612.078495
?-?-? 3.405 30.323 7.346 54440.216849
?-?-? 4.065 61.645 2.237 54252.736739
?-?-? 4.127 57.130 2.266 53923.566782
?-?-? 4.069 61.752 1.600 53852.976396
?-?-? 4.112 61.964 7.399 53693.143248
?-?-? 3.837 44.962 2.867 53624.433077
?-?-? 3.699 59.989 2.005 53492.160375
?-?-? 4.089 57.826 1.550 53469.235351
?-?-? 3.817 44.986 1.213 53148.236329
?-?-? 3.556 59.645 1.320 53001.194665
?-?-? 3.834 62.401 2.225 52664.543712
?-?-? 3.940 44.608 7.639 52531.582157
?-?-? 3.683 43.134 1.369 52416.639887
?-?-? 4.061 59.074 7.350 52160.916181
?-?-? 3.748 57.867 4.111 51766.484612
?-?-? 4.084 59.066 2.060 51646.148911
?-?-? 3.720 55.512 1.163 51363.762604
?-?-? 4.041 45.993 3.816 51250.840857
?-?-? 3.597 45.472 4.115 50752.807890
?-?-? 3.715 62.487 1.580 50711.519655
?-?-? 4.133 63.926 3.836 50691.976563
?-?-? 4.187 61.250 1.974 50548.249730
?-?-? 3.657 45.370 4.485 50515.529844
?-?-? 3.777 68.094 2.203 50476.945619
?-?-? 4.046 59.072 1.210 50269.386367
?-?-? 4.063 60.008 2.852 49955.755729
?-?-? 3.839 58.811 2.181 49520.055809
?-?-? 3.778 65.613 7.340 49202.566338
?-?-? 3.720 42.950 0.886 47907.498850
?-?-? 3.953 44.625 1.295 47777.665876
?-?-? 3.654 62.376 7.570 47705.763134
?-?-? 4.099 62.951 1.686 47698.780045
?-?-? 3.963 54.690 1.691 47098.106357
?-?-? 3.880 58.463 1.513 47049.588559
?-?-? 4.139 62.259 1.163 46322.871487
?-?-? 3.748 67.582 1.595 46020.705488
?-?-? 3.732 43.675 1.275 45587.441104
?-?-? 3.852 45.563 2.139 45049.688911
?-?-? 3.827 44.360 7.177 44963.813533
?-?-? 3.560 62.565 1.673 44764.262976
?-?-? 3.790 45.471 3.042 44475.373246
?-?-? 3.614 43.874 1.356 44437.661213
?-?-? 4.037 58.887 2.142 44414.195801
?-?-? 3.836 68.280 1.691 43769.480263
?-?-? 3.639 60.319 1.397 43505.216948
?-?-? 3.612 45.330 3.872 43343.304936
?-?-? 3.883 44.837 7.517 43197.618120
?-?-? 4.138 61.358 1.798 42452.741088
?-?-? 3.888 43.084 2.267 42250.989644
?-?-? 3.665 59.357 1.966 42214.621717
?-?-? 3.714 45.354 1.279 42164.868595
?-?-? 4.102 52.364 7.493 42162.721898
?-?-? 3.765 56.976 1.451 40270.393446
?-?-? 3.837 45.402 2.005 40123.426328
?-?-? 3.798 64.303 2.031 39774.906433
?-?-? 3.957 46.170 2.065 39693.571878
?-?-? 3.764 67.538 3.104 39482.071048
?-?-? 4.114 63.005 4.366 38808.863105
?-?-? 3.965 44.915 7.213 38750.991193
?-?-? 3.976 63.572 3.140 38050.937562
?-?-? 4.199 45.859 2.301 36640.403577
?-?-? 4.200 63.047 1.340 36338.423034
?-?-? 4.109 64.078 2.226 36170.563768
?-?-? 3.740 63.963 2.272 35586.905019
?-?-? 4.113 45.973 3.200 35071.051777
?-?-? 3.798 57.016 6.928 34870.414567
?-?-? 3.891 57.117 1.460 33824.845824
?-?-? 4.199 56.499 2.598 33394.703489
?-?-? 3.899 65.914 3.398 32335.066648
?-?-? 3.726 68.201 4.078 31650.707026
?-?-? 3.738 66.740 2.799 29764.447609
?-?-? 4.033 63.086 4.228 29430.573818
?-?-? 4.097 52.775 7.590 28905.369474
?-?-? 3.787 67.659 3.837 28857.160350
?-?-? 3.850 44.991 1.518 28390.544689
?-?-? 4.088 59.979 4.553 26752.197333
?-?-? 3.584 59.500 0.884 25955.119811
?-?-? 3.855 64.040 4.161 24919.065661
?-?-? 3.871 45.335 1.367 24379.101192
?-?-? 3.524 59.923 7.404 22079.806288
?-?-? 3.895 45.746 2.410 21604.845855
?-?-? 4.076 60.512 4.434 19827.225720
?-?-? 4.128 59.197 7.004 16676.257128
?-?-? 3.677 43.678 7.277 15290.888565
?-?-? 4.504 59.997 4.504 5950450.754898
?-?-? 4.332 55.526 4.332 5269101.782440
?-?-? 4.506 58.446 4.506 4507151.810906
?-?-? 4.521 58.094 4.521 3598901.379306
?-?-? 4.405 51.105 4.405 1938232.000000
?-?-? 4.223 56.598 4.223 529777.561204
?-?-? 4.469 52.226 4.469 502448.000000
?-?-? 4.713 52.199 4.713 426279.667973
?-?-? 4.310 54.560 4.310 357918.000000
?-?-? 4.702 43.270 4.702 178220.000000
?-?-? 4.336 43.562 4.336 31963.202830
?-?-? 4.308 56.638 4.302 5157719.067434
?-?-? 4.606 58.797 4.181 749151.859279
?-?-? 4.433 57.699 3.911 317701.212852
?-?-? 4.680 57.099 4.055 244128.847512
?-?-? 4.536 57.757 3.980 181525.730274
?-?-? 4.513 60.593 4.089 168716.756256
?-?-? 4.707 43.051 3.681 144457.653267
?-?-? 4.466 43.607 3.662 139592.222224
?-?-? 4.316 60.486 2.868 105802.633626
?-?-? 4.415 55.356 3.646 102949.844203
?-?-? 4.209 53.598 1.505 101800.198306
?-?-? 4.470 62.269 4.619 99717.144289
?-?-? 4.219 53.099 1.255 95838.408895
?-?-? 4.255 54.933 2.314 92293.463493
?-?-? 4.828 56.429 2.503 90202.915550
?-?-? 4.782 43.120 4.226 81795.417573
?-?-? 4.418 55.489 7.207 77914.148290
?-?-? 4.555 53.849 1.428 77366.393426
?-?-? 4.572 59.494 1.317 72684.321584
?-?-? 4.233 60.505 1.362 64307.683026
?-?-? 4.397 51.357 1.530 63022.169153
?-?-? 4.459 54.151 2.635 61863.965420
?-?-? 4.213 62.935 4.500 58461.165320
?-?-? 4.523 57.776 3.207 54800.539976
?-?-? 4.387 44.249 7.080 52564.785799
?-?-? 4.328 44.282 3.741 40692.656643
?-?-? 4.337 55.751 2.950 30567.364088
?-?-? 4.521 51.739 4.521 33777795.457989
?-?-? 4.226 53.333 4.221 29313554.515995
?-?-? 4.408 55.484 4.407 15683414.050537
?-?-? 4.337 56.036 4.335 12507251.913062
?-?-? 4.490 59.442 4.502 12042468.151446
?-?-? 4.214 58.991 4.207 9624473.670727
?-?-? 4.587 54.847 4.585 5322188.219553
?-?-? 4.617 51.777 4.620 2831731.971079
?-?-? 4.281 55.732 4.704 1466649.293462
?-?-? 4.546 60.486 4.708 1339078.152945
?-?-? 4.486 51.293 4.704 1310573.536864
?-?-? 4.265 57.323 4.218 1058206.461745
?-?-? 4.575 53.744 4.226 885516.572950
?-?-? 4.635 52.535 4.718 601746.639562
?-?-? 4.235 52.924 3.757 501246.996865
?-?-? 4.203 53.434 3.810 499755.140971
?-?-? 4.458 51.791 4.082 384787.059289
?-?-? 4.236 53.232 3.620 377337.501925
?-?-? 4.347 56.427 3.956 351368.373696
?-?-? 4.728 42.685 3.919 330973.262398
?-?-? 4.874 56.742 4.132 316896.906455
?-?-? 4.217 62.968 4.676 298362.142084
?-?-? 4.455 59.573 3.636 276583.519007
?-?-? 4.348 56.487 3.567 250271.988154
?-?-? 4.524 61.786 4.028 247452.068769
?-?-? 4.236 53.113 3.393 242408.427305
?-?-? 4.913 57.483 3.975 237570.339867
?-?-? 4.312 56.507 3.755 231543.677888
?-?-? 4.656 52.583 4.034 227176.996280
?-?-? 4.246 43.739 4.664 224871.894185
?-?-? 4.233 53.063 3.175 212269.451223
?-?-? 4.424 53.616 3.639 197978.727013
?-?-? 4.247 52.894 2.696 180189.806195
?-?-? 4.226 53.000 2.956 179920.202429
?-?-? 4.530 51.809 3.753 179581.598078
?-?-? 4.247 53.175 2.774 168949.440172
?-?-? 4.814 56.488 3.762 166772.377303
?-?-? 4.255 43.707 4.261 163639.091413
?-?-? 4.526 51.857 3.949 138255.443733
?-?-? 4.900 57.262 4.165 130385.314524
?-?-? 4.250 53.268 2.456 125269.428873
?-?-? 4.806 56.622 4.616 122793.485009
?-?-? 4.220 53.089 1.358 121738.310312
?-?-? 4.229 53.455 1.887 121192.870796
?-?-? 4.205 53.109 0.891 118369.071076
?-?-? 4.239 53.372 2.068 116740.529731
?-?-? 4.242 53.637 1.405 115936.317635
?-?-? 4.444 62.535 3.563 115065.244687
?-?-? 4.290 54.229 1.649 115021.808336
?-?-? 4.247 44.195 4.235 113882.395854
?-?-? 4.430 59.603 2.832 113510.810778
?-?-? 4.806 57.017 3.549 111758.932043
?-?-? 4.248 53.667 1.113 109135.668282
?-?-? 4.270 54.038 1.745 108228.219422
?-?-? 4.383 52.938 2.047 107235.773450
?-?-? 4.499 59.427 3.878 103141.837006
?-?-? 4.598 59.094 3.771 103033.095600
?-?-? 4.389 52.482 1.453 101381.251298
?-?-? 4.876 57.651 1.206 101365.998166
?-?-? 4.238 53.249 2.221 101263.868948
?-?-? 4.746 42.538 4.481 99095.054627
?-?-? 4.384 54.222 2.372 98511.653004
?-?-? 4.481 51.678 3.168 97477.228457
?-?-? 4.445 44.806 1.096 97212.597260
?-?-? 4.550 58.756 3.691 96166.989336
?-?-? 4.230 55.870 2.805 95277.544278
?-?-? 4.455 60.149 2.471 93843.909530
?-?-? 4.393 43.687 2.341 93675.217812
?-?-? 4.350 43.292 0.857 92847.403698
?-?-? 4.368 51.771 7.030 91451.538129
?-?-? 4.407 43.592 4.435 91433.975718
?-?-? 4.306 71.839 7.644 90699.360035
?-?-? 4.377 50.562 1.866 90614.036738
?-?-? 4.354 43.856 4.009 90492.489897
?-?-? 4.293 44.915 3.088 90298.069250
?-?-? 4.253 53.618 1.782 90251.486178
?-?-? 4.600 60.693 4.823 90161.460297
?-?-? 4.644 57.621 4.276 89047.881459
?-?-? 4.355 43.222 2.929 88804.929129
?-?-? 4.502 57.288 3.182 88349.384530
?-?-? 4.426 54.818 3.315 88223.308826
?-?-? 4.346 55.842 1.873 87306.130070
?-?-? 4.267 71.924 4.863 85936.646172
?-?-? 4.436 59.961 1.180 85230.188582
?-?-? 4.326 51.326 1.119 85042.510551
?-?-? 4.314 55.757 2.536 83252.308602
?-?-? 4.505 59.546 1.656 82698.043238
?-?-? 4.503 51.735 2.840 82662.173075
?-?-? 4.499 51.389 1.947 82587.709974
?-?-? 4.686 57.583 4.113 81743.674881
?-?-? 4.223 70.780 3.271 81577.532451
?-?-? 4.341 55.802 2.661 80993.597368
?-?-? 4.428 62.057 2.325 80565.661450
?-?-? 4.432 51.776 1.275 79664.587465
?-?-? 4.525 53.697 4.806 79540.912314
?-?-? 4.430 51.338 2.072 79055.139340
?-?-? 4.518 61.843 1.875 78966.732791
?-?-? 4.545 54.250 7.215 78801.185019
?-?-? 4.569 58.909 1.526 78749.387553
?-?-? 4.446 60.012 3.416 78665.160932
?-?-? 4.489 52.301 2.197 78229.248701
?-?-? 4.265 71.259 1.334 77461.081876
?-?-? 4.789 42.852 2.903 77257.183238
?-?-? 4.425 50.552 3.299 76770.472699
?-?-? 4.576 53.089 7.283 76518.303769
?-?-? 4.796 42.523 7.006 76369.104156
?-?-? 4.200 60.555 3.317 76122.625278
?-?-? 4.376 43.662 7.216 74638.799759
?-?-? 4.397 54.062 7.267 73360.552874
?-?-? 4.762 43.689 7.502 73298.102370
?-?-? 4.429 58.890 3.088 73033.991617
?-?-? 4.239 43.555 4.487 72946.571115
?-?-? 4.494 53.681 7.105 72943.548935
?-?-? 4.639 57.766 1.950 72603.342959
?-?-? 4.670 52.369 2.442 71579.221765
?-?-? 4.603 54.069 2.163 71288.239728
?-?-? 4.360 55.561 7.131 71135.292588
?-?-? 4.611 42.524 1.486 70754.864745
?-?-? 4.523 57.843 1.957 70519.270573
?-?-? 4.320 61.123 3.053 70485.886433
?-?-? 4.855 56.547 0.912 70423.876955
?-?-? 4.204 61.904 7.426 69495.812585
?-?-? 4.484 53.451 1.376 69306.539991
?-?-? 4.534 60.607 3.126 69161.737281
?-?-? 4.614 43.789 7.589 69097.560856
?-?-? 4.951 56.690 4.207 68684.405860
?-?-? 4.448 51.937 2.343 68581.820684
?-?-? 4.504 51.968 3.288 68552.629813
?-?-? 4.531 57.993 2.915 68162.799557
?-?-? 4.223 70.506 1.225 67818.038965
?-?-? 4.533 54.276 7.293 67758.807052
?-?-? 4.442 44.755 3.885 67745.561694
?-?-? 4.462 43.725 1.255 67537.853930
?-?-? 4.504 51.983 2.592 67145.985864
?-?-? 4.646 51.993 7.319 66322.557082
?-?-? 4.487 61.467 7.047 65661.431824
?-?-? 4.215 56.130 2.513 65290.558502
?-?-? 4.331 51.060 7.077 65072.225961
?-?-? 4.744 52.823 1.910 64622.049741
?-?-? 4.226 63.466 3.687 64358.975376
?-?-? 4.558 53.670 6.933 63857.760357
?-?-? 4.484 62.573 3.960 63640.030651
?-?-? 4.351 57.061 1.164 63458.755227
?-?-? 4.601 58.845 2.363 63208.607727
?-?-? 4.314 44.872 2.038 62841.663400
?-?-? 4.548 58.467 0.898 62730.037017
?-?-? 4.286 61.065 2.180 62535.862080
?-?-? 4.440 51.874 0.871 62469.676998
?-?-? 4.272 57.183 7.302 62360.818858
?-?-? 4.230 62.674 4.425 62247.818362
?-?-? 4.584 53.668 2.368 61585.209905
?-?-? 4.223 44.977 3.318 61563.324998
?-?-? 4.465 57.663 1.287 61337.621333
?-?-? 4.489 58.148 2.577 61300.893325
?-?-? 4.231 42.908 2.047 60880.134391
?-?-? 4.380 55.541 1.696 60877.647742
?-?-? 4.722 43.859 7.302 60219.723403
?-?-? 4.532 58.985 3.311 60040.865438
?-?-? 4.440 59.334 1.862 59924.022976
?-?-? 4.324 43.673 3.259 58817.043962
?-?-? 4.214 71.851 7.502 58751.004637
?-?-? 4.708 51.751 6.906 58609.527470
?-?-? 4.248 62.509 6.886 58280.495618
?-?-? 4.546 58.247 2.133 57820.234948
?-?-? 4.487 62.252 3.206 57477.453750
?-?-? 4.510 52.491 0.883 56539.213663
?-?-? 4.205 53.397 1.600 56493.460544
?-?-? 4.290 55.833 1.207 56431.737217
?-?-? 4.645 52.058 1.491 56396.853655
?-?-? 4.399 55.394 1.950 55682.022727
?-?-? 4.541 60.717 7.249 54613.287441
?-?-? 4.484 58.292 1.848 54482.503119
?-?-? 4.571 54.893 1.993 54374.290364
?-?-? 4.406 61.307 1.897 54340.697897
?-?-? 4.573 57.610 1.485 54133.083437
?-?-? 4.413 43.744 1.972 53616.791760
?-?-? 4.559 53.724 7.630 53335.656709
?-?-? 4.396 62.058 1.595 52347.891493
?-?-? 4.566 62.002 4.130 52220.669837
?-?-? 4.291 43.717 4.569 52168.024295
?-?-? 4.665 52.472 7.056 51905.875982
?-?-? 4.721 43.186 1.633 51823.395852
?-?-? 4.960 56.952 4.389 51757.608280
?-?-? 4.375 55.700 1.401 51666.266565
?-?-? 4.295 56.048 3.090 51652.707268
?-?-? 4.294 61.137 2.068 51347.796878
?-?-? 4.243 60.593 2.344 51038.038840
?-?-? 4.623 58.167 2.640 50948.568889
?-?-? 4.918 57.355 1.813 50859.751952
?-?-? 4.211 59.020 2.123 50641.674520
?-?-? 4.562 52.544 1.713 50489.174679
?-?-? 4.846 57.259 2.276 50140.991293
?-?-? 4.527 61.733 3.074 49903.607201
?-?-? 4.418 62.610 7.584 49759.975625
?-?-? 4.797 52.034 0.931 49393.945978
?-?-? 4.210 62.935 7.209 49231.445089
?-?-? 4.467 52.653 7.646 48870.699219
?-?-? 4.605 59.993 7.414 48467.033491
?-?-? 4.267 54.747 4.867 48080.340212
?-?-? 4.500 62.461 1.376 47448.561520
?-?-? 4.272 61.097 1.402 47341.662289
?-?-? 4.226 58.719 1.656 47150.382428
?-?-? 4.368 50.522 1.385 47096.532192
?-?-? 4.954 56.601 7.346 46862.760957
?-?-? 4.300 61.610 1.274 46141.259336
?-?-? 4.334 54.129 1.287 45943.194674
?-?-? 4.627 52.445 1.573 45836.154297
?-?-? 4.359 50.502 7.158 45720.462025
?-?-? 4.953 57.637 1.593 45427.643741
?-?-? 4.677 57.091 7.431 45357.469864
?-?-? 4.493 52.994 7.059 45337.978564
?-?-? 4.483 51.293 6.969 44240.020708
?-?-? 4.582 54.160 2.327 43996.870590
?-?-? 4.420 44.817 1.411 43938.712843
?-?-? 4.348 57.069 3.425 43656.362400
?-?-? 4.414 51.733 7.209 43285.184554
?-?-? 4.756 52.556 1.731 42172.104556
?-?-? 4.651 52.470 1.814 41361.009406
?-?-? 4.359 50.777 2.531 40942.979748
?-?-? 4.241 63.249 2.469 39755.207547
?-?-? 4.251 60.841 7.595 39459.106574
?-?-? 4.573 62.258 2.785 39175.565360
?-?-? 4.693 51.717 7.182 39119.517949
?-?-? 4.465 52.463 1.631 39011.241856
?-?-? 4.454 57.581 2.243 36896.058391
?-?-? 4.233 57.284 4.442 36765.345674
?-?-? 4.290 61.408 2.389 35904.175189
?-?-? 4.846 56.304 4.235 35429.752534
?-?-? 4.608 59.887 7.143 34942.828453
?-?-? 4.963 56.506 1.491 34107.296006
?-?-? 4.216 45.848 1.909 33472.580896
?-?-? 4.328 60.939 1.786 33097.291808
?-?-? 4.515 59.476 3.236 31600.269057
?-?-? 4.247 71.374 2.435 30785.567388
?-?-? 4.502 54.788 1.271 30543.048951
?-?-? 4.706 52.988 7.578 30408.614496
?-?-? 4.510 53.208 1.521 29332.238217
?-?-? 4.684 57.914 4.922 28109.528469
?-?-? 4.553 53.668 2.485 27581.835146
?-?-? 4.565 61.385 1.452 27370.338749
?-?-? 4.466 59.126 1.569 21343.427770
?-?-? 4.692 52.981 3.837 21335.309229
?-?-? 4.590 57.688 7.071 21252.380451
?-?-? 4.378 43.707 7.473 11473.034341
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 14.0029 Hz . . . 11.70150 . . 30927 12
2 . . N 15 N . . 35.0000 Hz . . . 134.50890 . . 30927 12
3 . . C 13 C . . 14.0000 Hz . . . 180.50500 . . 30927 12
stop_
save_