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 30684
_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 1
_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
;
REMARK File written by CcpNmrFormat converter.
DATA X_AXIS 1H 1 306 10.496ppm 5.997ppm
DATA Y_AXIS 15N 1 512 133.877ppm 106.778ppm
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 TROUBLE
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 %13e %13e %13e %.5f %d %s %4d %4d %4d
1 56.272 377.387 2.000 2.000 9.681 113.917 497.762 1216.189 5.773 4.065 51.069 13.099 55 57 376 378 4.180156e+04 0.000000e+00 2.728675e+05 0.00000 1 68.H;68.N 0 0 0
2 157.741 474.678 2.000 2.000 8.184 108.757 1395.330 1529.723 2.465 4.056 21.803 13.070 156 158 473 475 2.656283e+04 0.000000e+00 1.604906e+05 0.00000 1 21.H;21.N 0 0 0
3 215.491 479.034 2.000 2.000 7.332 108.526 1906.164 1543.762 3.080 4.551 27.240 14.665 214 216 478 480 7.077577e+04 0.000000e+00 5.174355e+05 0.00000 1 82.H;82.N 0 0 0
4 298.363 430.389 2.000 2.000 6.110 111.106 2639.226 1386.995 2.552 4.101 22.572 13.217 297 299 429 431 6.480519e+04 0.000000e+00 4.126471e+05 0.00000 1 80.H;80.N 0 0 0
5 195.262 468.869 2.000 2.000 7.631 109.065 1727.228 1511.005 2.523 4.200 22.320 13.535 194 196 467 469 5.761330e+04 0.000000e+00 3.546678e+05 0.00000 1 29.H;29.N 0 0 0
6 93.140 338.181 2.000 2.000 9.137 115.996 823.888 1089.840 3.229 5.856 28.559 18.871 92 94 337 339 5.907686e+04 0.000000e+00 4.286613e+05 0.00000 1 28.H;28.N 0 0 0
7 104.560 361.414 2.000 2.000 8.969 114.764 924.901 1164.714 2.811 4.052 24.865 13.058 103 105 360 362 8.587589e+04 0.000000e+00 5.606190e+05 0.00000 1 52.H;52.N 0 0 0
8 109.454 328.742 2.000 2.000 8.897 116.497 968.192 1059.422 3.220 4.257 28.479 13.719 108 110 327 329 6.175407e+04 0.000000e+00 4.402469e+05 0.00000 1 76.H;76.N 0 0 0
9 127.725 322.207 2.000 2.000 8.627 116.843 1129.812 1038.364 2.746 4.031 24.290 12.990 126 128 321 323 8.627598e+04 0.000000e+00 5.509562e+05 0.00000 1 83.H;83.N 0 0 0
10 127.072 370.127 2.000 2.000 8.637 114.302 1124.039 1192.791 2.806 5.410 24.823 17.436 126 128 369 371 5.362804e+04 0.000000e+00 3.730234e+05 0.00000 1 67.H;67.N 0 0 0
11 102.602 396.265 2.000 2.000 8.998 112.916 907.584 1277.024 4.755 5.335 42.060 17.192 101 103 395 397 3.751632e+04 0.000000e+00 2.904784e+05 0.00000 1 75.H;75.N 0 0 0
12 164.919 383.196 2.000 2.000 8.078 113.609 1458.823 1234.908 2.859 4.623 25.291 14.899 163 165 382 384 7.196247e+04 0.000000e+00 4.786496e+05 0.00000 1 44.H;44.N 0 0 0
13 212.881 390.456 2.000 2.000 7.371 113.224 1883.076 1258.306 3.038 4.967 26.872 16.006 211 213 389 391 5.557497e+04 0.000000e+00 3.852925e+05 0.00000 1 42.H;42.N 0 0 0
14 241.919 362.866 2.000 2.000 6.943 114.687 2139.936 1169.393 2.716 5.326 24.021 17.165 240 242 361 363 6.114826e+04 0.000000e+00 4.086231e+05 0.00000 1 61.H;61.N 0 0 0
15 247.465 317.851 2.000 2.000 6.861 117.074 2188.999 1024.325 3.038 4.713 26.872 15.189 246 248 316 318 5.710049e+04 0.000000e+00 4.233989e+05 0.00000 1 81.H;81.N 0 0 0
16 231.805 228.547 2.000 2.000 7.092 121.810 2050.468 736.529 2.772 4.537 24.518 14.620 230 232 227 229 7.974591e+04 0.000000e+00 5.440614e+05 0.00000 1 35.H;35.N 0 0 0
17 197.546 234.355 2.000 2.000 7.597 121.502 1747.430 755.247 2.617 4.158 23.149 13.399 196 198 233 235 9.339852e+04 0.000000e+00 5.824388e+05 0.00000 1 79.H;79.N 0 0 0
18 196.241 206.766 2.000 2.000 7.616 122.965 1735.886 666.335 2.548 3.859 22.535 12.435 195 197 205 207 1.425359e+05 0.000000e+00 8.993099e+05 0.00000 1 43.H;43.N 0 0 0
19 192.326 285.179 2.000 2.000 7.674 118.807 1701.253 919.034 4.153 5.174 36.733 16.674 191 193 284 286 2.887424e+04 0.000000e+00 2.222757e+05 0.00000 1 65.H;65.N 0 0 0
21 183.843 153.038 2.000 2.000 7.799 125.814 1626.215 493.189 2.742 4.165 24.256 13.421 182 184 152 154 1.023571e+05 0.000000e+00 6.642634e+05 0.00000 1 38.H;38.N 0 0 0
24 129.030 113.831 2.000 2.000 8.608 127.893 1141.356 366.839 2.697 4.556 23.861 14.683 128 130 112 114 7.055181e+04 0.000000e+00 4.640947e+05 0.00000 1 66.H;66.N 0 0 0
25 97.382 90.598 2.000 2.000 9.075 129.125 861.407 291.965 3.085 6.431 27.288 20.726 96 98 89 91 4.295796e+04 0.000000e+00 3.261071e+05 0.00000 1 70.H;70.N 0 0 0
26 73.890 47.035 2.000 2.000 9.421 131.436 653.610 151.577 2.604 4.253 23.031 13.707 72 74 46 48 7.794398e+04 0.000000e+00 4.988760e+05 0.00000 1 33.H;33.N 0 0 0
27 43.419 117.065 2.000 2.000 9.871 127.722 384.066 377.261 2.651 3.616 23.449 11.654 42 44 116 118 1.170179e+05 0.000000e+00 7.369201e+05 0.00000 1 66.HE1;66.NE1 0 0 0
28 100.374 142.918 2.000 2.000 9.031 126.351 887.874 460.575 3.021 3.978 26.723 12.820 99 101 141 143 8.103757e+04 0.000000e+00 5.435939e+05 0.00000 1 55.H;55.N 0 0 0
31 89.679 157.398 2.000 2.000 9.188 125.583 793.269 507.240 2.714 4.062 24.010 13.090 88 90 156 158 1.062120e+05 0.000000e+00 6.804785e+05 0.00000 1 50.H;50.N 0 0 0
32 109.279 163.749 2.000 2.000 8.899 125.246 966.648 527.708 2.928 4.129 25.901 13.305 108 110 162 164 7.920698e+04 0.000000e+00 5.259027e+05 0.00000 1 34.H;34.N 0 0 0
33 82.327 174.420 2.000 2.000 9.297 124.680 728.238 562.095 2.718 4.213 24.040 13.577 81 83 173 175 9.109636e+04 0.000000e+00 5.937538e+05 0.00000 1 84.H;84.N 0 0 0
34 87.766 195.721 2.000 2.000 9.217 123.551 776.349 630.742 2.780 5.450 24.590 17.565 86 88 194 196 6.750516e+04 0.000000e+00 4.579350e+05 0.00000 1 31.H;31.N 0 0 0
35 122.858 164.272 2.000 2.000 8.699 125.218 1086.758 529.391 3.037 4.048 26.867 13.045 121 123 163 165 8.167096e+04 0.000000e+00 5.445289e+05 0.00000 1 85.H;85.N 0 0 0
36 144.375 169.070 2.000 2.000 8.382 124.964 1277.090 544.855 2.943 6.418 26.036 20.684 143 145 168 170 5.159722e+04 0.000000e+00 3.688605e+05 0.00000 1 60.H;60.N 0 0 0
38 133.602 190.486 2.000 2.000 8.540 123.828 1181.800 613.870 2.741 8.893 24.245 28.660 132 134 189 191 5.646592e+04 0.000000e+00 3.803618e+05 0.00000 1 74.H;74.N 0 0 0
40 150.081 202.217 2.000 2.000 8.297 123.206 1327.572 651.677 2.901 4.231 25.662 13.637 149 151 201 203 1.016359e+05 0.000000e+00 6.700382e+05 0.00000 1 48.H;48.N 0 0 0
42 164.679 220.163 2.000 2.000 8.082 122.255 1456.699 709.509 2.425 3.881 21.449 12.507 163 165 219 221 1.301515e+05 0.000000e+00 7.807261e+05 0.00000 1 36.H;36.N 0 0 0
43 119.310 252.810 2.000 2.000 8.751 120.523 1055.377 814.721 2.907 4.222 25.718 13.605 118 120 251 253 3.762150e+04 0.000000e+00 2.509820e+05 0.00000 1 27.H;27.N 0 0 0
44 118.964 268.903 2.000 2.000 8.756 119.670 1052.317 866.583 2.757 4.739 24.385 15.271 117 119 267 269 8.368700e+04 0.000000e+00 5.482478e+05 0.00000 1 30.H;30.N 0 0 0
45 127.039 219.058 2.000 2.000 8.637 122.313 1123.750 705.950 2.625 4.002 23.223 12.897 126 128 218 220 9.590895e+04 0.000000e+00 5.938664e+05 0.00000 1 47.H;47.N 0 0 0
46 127.881 241.483 2.000 2.000 8.625 121.124 1131.198 778.215 2.407 4.003 21.287 12.900 126 128 240 242 1.283857e+05 0.000000e+00 7.647322e+05 0.00000 1 51.H;51.N 0 0 0
47 136.287 209.104 2.000 2.000 8.501 122.841 1205.551 673.871 2.427 3.913 21.464 12.611 135 137 208 210 1.190590e+05 0.000000e+00 7.265702e+05 0.00000 1 53.H;53.N 0 0 0
48 132.259 255.209 2.000 2.000 8.560 120.396 1169.924 822.450 3.172 4.246 28.057 13.684 131 133 254 256 1.333929e+05 0.000000e+00 9.064115e+05 0.00000 1 78.H;78.N 0 0 0
49 135.694 262.209 2.000 2.000 8.510 120.025 1200.307 845.011 2.892 4.088 25.577 13.175 134 136 261 263 8.564671e+04 0.000000e+00 5.622660e+05 0.00000 1 49.H;49.N 0 0 0
50 98.369 282.337 2.000 2.000 9.060 118.957 870.137 909.874 2.608 4.494 23.073 14.483 97 99 281 283 9.229062e+04 0.000000e+00 5.998215e+05 0.00000 1 40.H;40.N 0 0 0
52 78.278 264.138 2.000 2.000 9.357 119.922 692.418 851.226 2.798 6.350 24.749 20.463 77 79 263 265 4.106912e+04 0.000000e+00 2.804646e+05 0.00000 1 69.H;69.N 0 0 0
54 150.819 251.195 2.000 2.000 8.286 120.609 1334.094 809.515 2.765 4.084 24.459 13.161 149 151 250 252 1.094776e+05 0.000000e+00 7.026136e+05 0.00000 1 54.H;54.N 0 0 0
57 150.027 276.688 2.000 2.000 8.298 119.257 1327.094 891.669 7.653 5.511 67.698 17.761 149 151 275 277 3.461330e+04 0.000000e+00 2.527709e+05 0.00000 1 86.H;86.N 0 0 0
58 154.033 277.938 2.000 2.000 8.239 119.191 1362.527 895.698 2.757 3.933 24.391 12.675 153 155 276 278 1.026175e+05 0.000000e+00 6.447077e+05 0.00000 1 37.H;37.N 0 0 0
60 180.980 245.326 2.000 2.000 7.842 120.920 1600.893 790.601 2.670 6.215 23.619 20.028 179 181 244 246 7.575066e+04 0.000000e+00 5.039671e+05 0.00000 1 73.H;73.N 0 0 0
62 93.416 305.158 2.000 2.000 9.133 117.747 826.325 983.419 2.631 3.998 23.274 12.883 92 94 304 306 8.920291e+04 0.000000e+00 5.729877e+05 0.00000 1 77.H;77.N 0 0 0
63 168.935 318.053 2.000 2.000 8.019 117.063 1494.346 1024.975 2.541 3.954 22.476 12.741 167 169 317 319 1.367884e+05 0.000000e+00 8.338669e+05 0.00000 1 46.H;46.N 0 0 0
64 176.439 340.954 2.000 2.000 7.909 115.849 1560.725 1098.776 2.666 4.896 23.581 15.777 175 177 339 341 6.885371e+04 0.000000e+00 4.608693e+05 0.00000 1 59.H;59.N 0 0 0
65 88.994 225.855 2.000 2.000 9.198 121.953 787.208 727.853 2.825 4.033 24.988 12.996 87 89 224 226 8.988047e+04 0.000000e+00 5.857968e+05 0.00000 1 32.H;32.N 0 0 0
68 104.025 466.299 2.000 2.000 8.977 109.202 920.171 1502.720 3.092 6.511 27.355 20.983 103 105 465 467 5.786534e+04 0.000000e+00 4.207750e+05 0.00000 1 72.H;72.N 0 0 0
69 72.484 106.824 2.000 2.000 9.442 128.265 641.166 344.258 7.525 3.984 66.566 12.838 71 73 105 107 2.241370e+04 0.000000e+00 1.715674e+05 0.00000 1 58.H;58.N 0 0 0
72 132.967 254.334 2.000 2.000 8.550 120.442 1176.184 819.631 3.527 5.061 31.194 16.309 131 133 253 255 9.545794e+04 0.000000e+00 7.160708e+05 0.00000 1 45.H;45.N 0 0 0
76 181.549 507.319 2.000 2.000 7.833 107.026 1605.927 1634.914 5.040 7.994 44.579 25.761 180 182 506 508 6.910975e+03 0.000000e+00 5.546784e+04 0.00000 1 64.H;64.N 0 0 0
80 109.521 156.658 2.000 2.000 8.896 125.622 968.786 504.856 2.773 4.360 24.531 14.051 108 110 155 157 3.399529e+04 0.000000e+00 2.273885e+05 0.00000 1 57.H;57.N 0 0 0
82 164.608 121.585 2.000 2.000 8.083 127.482 1456.069 391.828 2.580 4.059 22.820 13.081 163 165 120 122 1.849916e+05 0.000000e+00 1.178537e+06 0.00000 1 87.H;87.N 0 0 0
83 166.093 125.094 2.000 2.000 8.061 127.296 1469.206 403.134 2.775 7.683 24.548 24.760 165 167 124 126 5.538271e+04 0.000000e+00 4.050055e+05 0.00000 1 56.H;56.N 0 0 0
84 47.724 90.495 2.000 2.000 9.807 129.131 422.154 291.634 4.486 6.665 39.686 21.480 46 48 89 91 9.701065e+03 0.000000e+00 7.477209e+04 0.00000 1 71.H;71.N 0 0 0
92 202.062 410.724 2.000 2.000 7.531 112.149 1787.371 1323.621 2.588 4.436 22.892 14.297 201 203 409 411 8.687495e+04 0.000000e+00 5.562956e+05 0.00000 1 76.HD21;76.ND2 0 0 0
94 240.975 410.310 2.000 2.000 6.957 112.171 2131.583 1322.288 2.664 4.174 23.562 13.452 239 241 409 411 8.443848e+04 0.000000e+00 5.295190e+05 0.00000 1 76.HD22;76.ND2 0 0 0
95 193.016 375.910 2.000 2.000 7.664 113.995 1707.359 1211.429 2.422 4.115 21.423 13.261 192 194 374 376 1.127375e+05 0.000000e+00 6.801960e+05 0.00000 1 71.HD21;71.ND2 0 0 0
96 229.330 375.910 2.000 2.000 7.128 113.995 2028.578 1211.429 2.369 4.145 20.953 13.359 228 230 374 376 1.438988e+05 0.000000e+00 8.709134e+05 0.00000 1 71.HD22;71.ND2 0 0 0
97 204.384 406.477 2.000 2.000 7.496 112.374 1807.915 1309.936 2.617 5.521 23.148 17.791 203 205 405 407 8.008496e+04 0.000000e+00 5.425701e+05 0.00000 1 72.HD21;72.ND2 0 0 0
98 246.382 407.004 2.000 2.000 6.877 112.346 2179.411 1311.634 2.721 5.075 24.071 16.355 245 247 406 408 8.429947e+04 0.000000e+00 5.749298e+05 0.00000 1 72.HD22;72.ND2 0 0 0
;
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 HN . aliased 2706.776 Hz . . . 120 . . 30684 1
2 . . N 15 N . aliased 1650 Hz . . . 4.76 . . 30684 1
stop_
save_