Content for NMR-STAR saveframe, "spectral_peak_list_1"
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 34273
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_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
;
VARS INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT
FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %+e %+e %+e %.5f %d %s %4d %4d
NULLVALUE -666
NULLSTRING *
36 637.581 1049.778 0.522 19.879 7.804 4.579 3902.908 2290.175 3.153 11.631 12.336 45.506 637 638 1045 1054 -1.240544e+05 +1.224700e+04 -2.089631e+06 0.00002 1 None 28 1
38 576.283 1051.256 0.084 5.164 8.283 4.568 4142.741 2284.394 3.115 13.183 12.187 51.578 574 578 1042 1060 -6.015179e+05 +1.200882e+04 -2.449153e+07 0.00000 1 None 30 1
45 653.337 1062.535 0.148 14.466 7.681 4.479 3841.264 2240.266 3.093 15.438 12.100 60.400 652 655 1052 1073 -3.694309e+05 +1.210639e+04 -2.331462e+07 0.00000 1 None 33 4
63 554.393 1073.866 0.247 43.993 8.455 4.391 4228.384 2195.932 1.986 11.599 7.771 45.381 554 555 1071 1076 -1.037707e+05 +1.318988e+04 -1.010654e+06 0.00547 2 None 42 1
86 554.046 1096.557 0.113 40.367 8.457 4.213 4229.742 2107.151 1.705 13.394 6.670 52.403 554 554 1094 1099 -9.872121e+04 +1.205309e+04 -5.548124e+05 0.02061 2 None 49 1
92 579.278 1099.153 0.080 6.429 8.260 4.193 4131.021 2096.995 2.311 11.270 9.044 44.094 578 580 1093 1106 -3.463557e+05 +1.225442e+04 -7.365291e+06 0.00000 1 None 50 1
107 553.916 1121.819 0.050 8.421 8.458 4.016 4230.250 2008.316 2.036 12.744 7.965 49.862 553 555 1115 1131 -3.251592e+05 +1.195649e+04 -7.934406e+06 0.00000 3 None 56 8
112 634.182 1122.734 0.170 8.539 7.830 4.008 3916.210 2004.733 4.079 14.452 15.960 56.545 633 637 1113 1133 +4.282652e+05 +1.184505e+04 +2.773215e+07 0.00000 1 None 27 38
138 640.853 1142.429 0.055 14.272 7.778 3.854 3890.108 1927.677 2.335 16.170 9.136 63.264 640 642 1131 1153 -4.113692e+05 +1.195978e+04 -1.739072e+07 0.00000 3 None 27 38
144 576.118 1146.812 0.151 19.735 8.285 3.820 4143.384 1910.528 2.497 13.899 9.768 54.379 575 577 1137 1154 -1.644300e+05 +1.186480e+04 -5.299444e+06 0.00000 3 None 58 6
145 629.958 1149.005 0.030 9.227 7.863 3.803 3932.736 1901.950 2.201 18.708 8.610 73.196 629 631 1136 1162 -6.029794e+05 +1.181760e+04 -2.531985e+07 0.00000 1 None 27 38
150 579.185 1151.000 0.383 4107.427 8.261 3.787 4131.385 1894.144 2.826 42.521 11.059 166.364 579 580 1143 1157 -1.141440e+05 +1.319472e+04 -2.836700e+06 0.00029 2 None 58 6
156 640.329 1155.000 0.108 489.332 7.782 3.756 3892.158 1878.494 2.271 33.746 8.886 132.033 639 641 1131 1167 -2.836501e+05 +1.263484e+04 -2.161301e+07 0.00000 1 None 27 38
167 621.145 1179.401 0.074 13.878 7.932 3.565 3967.216 1783.024 2.662 16.824 10.415 65.824 619 622 1167 1191 -3.946460e+05 +1.185819e+04 -1.785635e+07 0.00000 1 None 27 38
168 553.996 1179.904 0.042 15.682 8.458 3.561 4229.938 1781.057 1.788 16.637 6.996 65.091 553 555 1170 1189 -2.858948e+05 +1.189775e+04 -7.002440e+06 0.00000 1 None 56 8
169 579.617 1180.660 0.105 15.639 8.257 3.555 4129.697 1778.098 2.361 13.884 9.237 54.320 579 581 1172 1191 -3.281468e+05 +1.254179e+04 -9.480742e+06 0.00000 1 None 74 1
179 630.180 1181.548 0.070 456.919 7.862 3.548 3931.867 1774.623 1.795 31.363 7.023 122.710 630 631 1160 1200 -2.099763e+05 +1.231188e+04 -1.072989e+07 0.00000 1 None 27 38
206 652.868 1224.060 1.060 23.632 7.684 3.216 3843.098 1608.297 5.326 12.674 20.836 49.587 652 656 1220 1228 -1.088342e+05 +1.183894e+04 -5.616032e+06 0.00002 1 None 93 2
286 620.895 1351.551 0.054 8.213 7.934 2.218 3968.195 1109.488 2.720 14.829 10.644 58.020 619 622 1342 1363 -5.372779e+05 +1.187434e+04 -2.167278e+07 0.00000 1 None 141 3
288 576.547 1352.710 0.154 15.491 8.281 2.209 4141.707 1104.953 2.136 12.114 8.356 47.398 575 577 1347 1362 -2.046508e+05 +1.301817e+04 -6.169846e+06 0.00000 3 None 125 19
296 637.963 1374.375 0.069 11.427 7.801 2.040 3901.418 1020.187 2.866 16.479 11.215 64.473 636 639 1362 1386 -4.466855e+05 +1.182086e+04 -2.329667e+07 0.00000 1 None 119 32
340 579.610 1411.144 0.031 16.937 8.257 1.752 4129.723 876.327 2.294 31.148 8.977 121.865 578 581 1388 1434 -1.055784e+06 +1.250719e+04 -1.209027e+08 0.00000 3 None 125 19
349 629.807 1428.455 0.021 7.567 7.865 1.617 3933.326 808.600 2.548 21.481 9.971 84.043 628 631 1413 1443 -1.344106e+06 +1.193544e+04 -8.509458e+07 0.00000 1 None 119 32
472 554.371 577.661 0.104 52.928 8.455 8.273 4228.471 4137.338 1.937 16.767 7.579 65.601 553 555 571 583 -1.280503e+06 +2.164450e+04 +0.000000e+00 0.00000 1 None 229 2
473 553.961 639.644 0.104 52.928 8.458 7.788 4230.076 3894.829 1.937 16.767 7.579 65.601 552 554 633 645 -1.075318e+06 +2.164450e+04 +0.000000e+00 0.00000 1 None 229 2
474 580.016 631.847 0.104 52.928 8.254 7.849 4128.133 3925.333 1.937 16.767 7.579 65.601 579 581 625 637 -9.584397e+05 +2.164450e+04 +0.000000e+00 0.00000 1 None 230 1
;
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 . 'not observed' 8012.821 Hz . . . 4.773 . . 34273 1
2 . . H 1 HN . 'not observed' 8012.821 Hz . . . 4.773 . . 34273 1
stop_
save_