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 31057
_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 12
_Spectral_peak_list.Experiment_name '3D CBCA(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
;
label dataset sw sf
HN C13 N15
AbdA_cbcaconh.nv
2580.9921875 10500.0 1300.01000977
599.664978027 150.792007446 60.7700004578
HN.L HN.P HN.W HN.B HN.E HN.J HN.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0
0 {62.H} 7.79358 0.02548 0.04777 ++ {0.0} {i.h} {61.CA} 56.60129 0.68533 1.19293 ++ {0.0} {i-1.ca} {62.N} 128.34044 0.32350 0.63518 ++ {0.0} {i.n} 0.0 1.1439 1 {} 0
1 {62.H} 7.79400 0.02478 0.04443 ++ {0.0} {i.h} {61.CB} 30.41135 0.65581 1.15195 ++ {0.0} {i-1.cb} {62.N} 128.33971 0.32115 0.61864 ++ {0.0} {i.n} 0.0 0.5678 1 {} 0
2 {} 8.51932 0.03291 0.06328 ++ {0.0} {} {} 70.04317 0.68429 1.00125 ++ {0.0} {} {} 124.34943 0.30647 0.50765 ++ {0.0} {} 0.0 0.1218 1 {} 0
3 {37.H} 8.37113 0.02481 0.05258 ++ {0.0} {i.h} {36.CA} 64.75964 0.67479 1.11225 ++ {0.0} {i-1.ca} {37.N} 124.34128 0.30537 0.58182 ++ {0.0} {i.n} 0.0 0.4417 1 {} 0
4 {} 8.51959 0.03908 0.08340 ++ {0.0} {} {} 62.03162 0.66517 1.06960 ++ {0.0} {} {} 124.35886 0.30301 0.55487 ++ {0.0} {} 0.0 0.2478 1 {} 0
5 {37.H} 8.37015 0.02147 0.03799 ++ {0.0} {i.h} {36.CB} 38.00271 0.66411 1.00409 ++ {0.0} {i-1.cb} {37.N} 124.34037 0.29439 0.50528 ++ {0.0} {i.n} 0.0 0.1475 1 {} 0
6 {5.H} 8.50169 0.02893 0.07281 ++ {0.0} {i.h} {4.CA} 56.25021 0.51597 1.00426 ++ {0.0} {i-1.ca} {5.N} 123.56760 0.33418 0.63155 ++ {0.0} {i.n} 0.0 0.3798 1 {} 0
7 {5.H} 8.50031 0.02563 0.05593 ++ {0.0} {i.h} {4.CB} 30.89553 0.64258 1.05335 ++ {0.0} {i-1.cb} {5.N} 123.53369 0.33879 0.59551 ++ {0.0} {i.n} 0.0 0.1727 1 {} 0
8 {12.H} 9.09204 0.03040 0.05176 ++ {0.0} {i.h} {11.CA} 61.07449 0.60255 0.78870 ++ {0.0} {i-1.ca} {12.N} 123.34105 0.28518 0.42973 ++ {0.0} {i.n} 0.0 0.0848 1 {} 0
9 {18.H} 8.19173 0.02590 0.05106 ++ {0.0} {i.h} {17.CA} 58.75571 0.59827 1.04211 ++ {0.0} {i-1.ca} {18.N} 123.37509 0.32299 0.60120 ++ {0.0} {i.n} 0.0 0.3017 1 {} 0
10 {18.H} 8.19266 0.03057 0.04426 ++ {0.0} {i.h} {17.CB} 30.20166 0.68804 0.96642 ++ {0.0} {i-1.cb} {18.N} 123.39816 0.34719 0.54450 ++ {0.0} {i.n} 0.0 0.0969 1 {} 0
11 {54.H} 8.16106 0.02408 0.05459 ++ {0.0} {i.h} {53.CA} 55.64243 0.67824 1.14698 ++ {0.0} {i-1.ca} {54.N} 123.01205 0.29688 0.56801 ++ {0.0} {i.n} 0.0 0.4824 1 {} 0
12 {54.H} 8.16093 0.02451 0.05021 ++ {0.0} {i.h} {53.CB} 37.79860 0.65140 1.11673 ++ {0.0} {i-1.cb} {54.N} 123.01476 0.29732 0.55841 ++ {0.0} {i.n} 0.0 0.3433 1 {} 0
13 {30.H} 8.85836 0.02821 0.04133 ++ {0.0} {i.h} {29.CB} 70.93595 0.59653 0.87658 ++ {0.0} {i-1.cb} {30.N} 122.67645 0.27969 0.43744 ++ {0.0} {i.n} 0.0 0.0960 1 {} 0
14 {30.H} 8.85951 0.02802 0.05664 ++ {0.0} {i.h} {29.CA} 60.37320 0.60841 1.02195 ++ {0.0} {i-1.ca} {30.N} 122.67869 0.29020 0.52305 ++ {0.0} {i.n} 0.0 0.2117 1 {} 0
15 {8.H} 8.56488 0.03179 0.06475 ++ {0.0} {i.h} {7.CA} 56.13941 0.64444 1.06992 ++ {0.0} {i-1.ca} {8.N} 122.56559 0.33187 0.58608 ++ {0.0} {i.n} 0.0 0.1788 1 {} 0
16 {8.H} 8.56534 0.03568 0.05562 ++ {0.0} {i.h} {7.CB} 31.13337 0.63410 0.92274 ++ {0.0} {i-1.cb} {8.N} 122.58121 0.34261 0.54606 ++ {0.0} {i.n} 0.0 0.1030 1 {} 0
17 {50.H} 8.16350 0.02325 0.05123 ++ {0.0} {i.h} {49.CA} 64.47891 0.65407 1.11151 ++ {0.0} {i-1.ca} {50.N} 122.33154 0.31232 0.59354 ++ {0.0} {i.n} 0.0 0.4201 1 {} 0
18 {61.H} 8.24760 0.02630 0.05152 ++ {0.0} {i.h} {60.CA} 56.57693 0.69464 1.20794 ++ {0.0} {i-1.ca} {61.N} 122.00571 0.29800 0.58460 ++ {0.0} {i.n} 0.0 1.0925 1 {} 0
19 {61.H} 8.24801 0.02583 0.04934 ++ {0.0} {i.h} {60.CB} 33.04683 0.67829 1.15017 ++ {0.0} {i-1.cb} {61.N} 122.00634 0.29498 0.56928 ++ {0.0} {i.n} 0.0 0.5968 1 {} 0
20 {48.H} 8.56178 0.02397 0.04773 ++ {0.0} {i.h} {47.CA} 64.13951 0.63599 1.09184 ++ {0.0} {i-1.ca} {48.N} 121.64303 0.31772 0.58852 ++ {0.0} {i.n} 0.0 0.2834 1 {} 0
21 {39.H} 8.18852 0.02302 0.04835 ++ {0.0} {i.h} {38.CA} 58.39811 0.65711 1.11686 ++ {0.0} {i-1.ca} {39.N} 121.67077 0.28693 0.55243 ++ {0.0} {i.n} 0.0 0.5602 1 {} 0
22 {28.H} 8.41382 0.02904 0.05227 ++ {0.0} {i.h} {27.CA} 56.78228 0.60930 0.99760 ++ {0.0} {i-1.ca} {28.N} 121.68318 0.30055 0.54499 ++ {0.0} {i.n} 0.0 0.2241 1 {} 0
23 {28.H} 8.41372 0.02692 0.04334 ++ {0.0} {i.h} {27.CB} 41.08726 0.69250 1.02920 ++ {0.0} {i-1.cb} {28.N} 121.68322 0.29879 0.50679 ++ {0.0} {i.n} 0.0 0.1377 1 {} 0
24 {48.H} 8.56107 0.02163 0.03601 ++ {0.0} {i.h} {47.CB} 36.77531 0.64410 0.90904 ++ {0.0} {i-1.cb} {48.N} 121.65372 0.30496 0.48145 ++ {0.0} {i.n} 0.0 0.0993 1 {} 0
25 {39.H} 8.18882 0.02312 0.04211 ++ {0.0} {i.h} {38.CB} 29.15983 0.70478 1.14977 ++ {0.0} {i-1.cb} {39.N} 121.66912 0.29285 0.54415 ++ {0.0} {i.n} 0.0 0.2950 1 {} 0
26 {22.H} 9.05742 0.02174 0.05182 ++ {0.0} {i.h} {21.CA} 59.18672 0.66135 1.07248 ++ {0.0} {i-1.ca} {22.N} 121.33466 0.30378 0.57153 ++ {0.0} {i.n} 0.0 0.3527 1 {} 0
27 {22.H} 9.05755 0.02154 0.03860 ++ {0.0} {i.h} {21.CB} 28.88330 0.62041 0.93446 ++ {0.0} {i-1.cb} {22.N} 121.33762 0.29538 0.49713 ++ {0.0} {i.n} 0.0 0.1320 1 {} 0
28 {16.H} 8.22973 0.02019 0.03377 ++ {0.0} {i.h} {} 68.78933 0.59176 0.91156 ++ {0.0} {i-1.cb} {16.N} 121.01111 0.30278 0.49998 ++ {0.0} {i.n} 0.0 0.1200 1 {} 0
29 {16.H} 8.23248 0.02558 0.04604 ++ {0.0} {i.h} {15.CA} 67.53719 0.61950 1.00553 ++ {0.0} {i-1.ca} {16.N} 121.00842 0.30368 0.55226 ++ {0.0} {i.n} 0.0 0.2306 1 {} 0
30 {60.H} 8.09330 0.02519 0.05311 ++ {0.0} {i.h} {59.CA} 56.98885 0.68535 1.17578 ++ {0.0} {i-1.ca} {60.N} 121.00383 0.29813 0.57952 ++ {0.0} {i.n} 0.0 0.7447 1 {} 0
31 {60.H} 8.09334 0.02442 0.05185 ++ {0.0} {i.h} {59.CB} 32.96865 0.68601 1.16721 ++ {0.0} {i-1.cb} {60.N} 121.00449 0.29291 0.55764 ++ {0.0} {i.n} 0.0 0.4348 1 {} 0
32 {44.H} 9.14600 0.02561 0.03802 ++ {0.0} {i.h} {43.CB} 71.21121 0.61616 0.79687 ++ {0.0} {i-1.cb} {44.N} 120.59255 0.31360 0.44114 ++ {0.0} {i.n} 0.0 0.0705 1 {} 0
33 {10.H} 8.16858 0.02923 0.04971 ++ {0.0} {i.h} {9.CB} 70.14099 0.58204 0.99672 ++ {0.0} {i-1.cb} {10.N} 120.67467 0.29997 0.54023 ++ {0.0} {i.n} 0.0 0.2102 1 {} 0
34 {10.H} 8.16841 0.02700 0.05400 ++ {0.0} {i.h} {9.CA} 62.02800 0.65828 1.12568 ++ {0.0} {i-1.ca} {10.N} 120.68192 0.30990 0.59258 ++ {0.0} {i.n} 0.0 0.4763 1 {} 0
35 {44.H} 9.14239 0.02457 0.04277 ++ {0.0} {i.h} {43.CA} 60.44852 0.68448 1.03992 ++ {0.0} {i-1.ca} {44.N} 120.58602 0.34703 0.58852 ++ {0.0} {i.n} 0.0 0.1376 1 {} 0
36 {36.H} 8.67087 0.02495 0.05219 ++ {0.0} {i.h} {} 59.71593 0.67020 1.11722 ++ {0.0} {i-1.ca} {36.N} 120.68460 0.32102 0.60993 ++ {0.0} {i.n} 0.0 0.4183 1 {} 0
37 {47.H} 8.02601 0.02462 0.04860 ++ {0.0} {i.h} {46.CA} 59.46888 0.67117 1.06395 ++ {0.0} {i-1.ca} {47.N} 120.62661 0.32763 0.60080 ++ {0.0} {i.n} 0.0 0.2517 1 {} 0
38 {7.H} 8.29674 0.03157 0.09212 ++ {0.0} {i.h} {6.CA} 45.14937 0.69238 1.17006 ++ {0.0} {i-1.ca} {7.N} 120.73116 0.33641 0.64639 ++ {0.0} {i.n} 0.0 0.5324 1 {} 0
39 {36.H} 8.67200 0.02456 0.04678 ++ {0.0} {i.h} {35.CB} 30.20734 0.67584 1.04724 ++ {0.0} {i-1.cb} {36.N} 120.68387 0.31951 0.56472 ++ {0.0} {i.n} 0.0 0.1799 1 {} 0
40 {47.H} 8.02654 0.02490 0.03676 ++ {0.0} {i.h} {46.CB} 29.45747 0.59767 0.86201 ++ {0.0} {i-1.cb} {47.N} 120.62153 0.31742 0.50544 ++ {0.0} {i.n} 0.0 0.1026 1 {} 0
41 {35.H} 7.78415 0.02119 0.05153 ++ {0.0} {i.h} {34.CA} 65.45287 0.67187 1.12752 ++ {0.0} {i-1.ca} {35.N} 120.33956 0.29378 0.56215 ++ {0.0} {i.n} 0.0 0.4839 1 {} 0
42 {35.H} 7.78418 0.02055 0.03823 ++ {0.0} {i.h} {34.CB} 38.31907 0.61380 1.01007 ++ {0.0} {i-1.cb} {35.N} 120.34209 0.29818 0.50921 ++ {0.0} {i.n} 0.0 0.1432 1 {} 0
43 {42.H} 8.27517 0.02999 0.05517 ++ {0.0} {i.h} {41.CA} 60.43163 0.67444 1.11358 ++ {0.0} {i-1.ca} {42.N} 120.00179 0.29292 0.54883 ++ {0.0} {i.n} 0.0 0.3312 1 {} 0
44 {21.H} 7.90064 0.02547 0.06024 ++ {0.0} {i.h} {20.CA} 59.86580 0.68375 1.17224 ++ {0.0} {i-1.ca} {21.N} 120.00208 0.29492 0.56682 ++ {0.0} {i.n} 0.0 0.5358 1 {} 0
45 {21.H} 7.90052 0.02359 0.05081 ++ {0.0} {i.h} {20.CB} 32.40469 0.65079 1.05488 ++ {0.0} {i-1.cb} {21.N} 120.00302 0.28767 0.53236 ++ {0.0} {i.n} 0.0 0.2801 1 {} 0
46 {42.H} 8.27567 0.02973 0.05609 ++ {0.0} {i.h} {41.CB} 24.90086 0.67629 1.11372 ++ {0.0} {i-1.cb} {42.N} 120.00206 0.29470 0.55797 ++ {0.0} {i.n} 0.0 0.3922 1 {} 0
47 {49.H} 8.59616 0.02461 0.04838 ++ {0.0} {i.h} {48.CA} 60.22448 0.64123 1.06950 ++ {0.0} {i-1.ca} {49.N} 119.59255 0.33347 0.60373 ++ {0.0} {i.n} 0.0 0.2207 1 {} 0
48 {58.H} 7.49450 0.02380 0.05190 ++ {0.0} {i.h} {57.CA} 57.37730 0.64840 1.13304 ++ {0.0} {i-1.ca} {58.N} 119.69253 0.33656 0.64373 ++ {0.0} {i.n} 0.0 0.4792 1 {} 0
49 {59.H} 7.89031 0.02435 0.04927 ++ {0.0} {i.h} {58.CA} 56.11760 0.62163 1.09464 ++ {0.0} {i-1.ca} {59.N} 119.73491 0.34231 0.64580 ++ {0.0} {i.n} 0.0 0.3689 1 {} 0
50 {59.H} 7.89051 0.02515 0.04414 ++ {0.0} {i.h} {58.CB} 42.26025 0.70063 1.14020 ++ {0.0} {i-1.cb} {59.N} 119.74088 0.34592 0.61253 ++ {0.0} {i.n} 0.0 0.1825 1 {} 0
51 {49.H} 8.59521 0.02452 0.03884 ++ {0.0} {i.h} {48.CB} 33.25985 0.67227 0.98480 ++ {0.0} {i-1.cb} {49.N} 119.61256 0.31635 0.51649 ++ {0.0} {i.n} 0.0 0.1139 1 {} 0
52 {58.H} 7.49395 0.02243 0.04372 ++ {0.0} {i.h} {57.CB} 32.50323 0.68549 1.10843 ++ {0.0} {i-1.cb} {58.N} 119.69721 0.32968 0.60368 ++ {0.0} {i.n} 0.0 0.2477 1 {} 0
53 {32.H} 7.70890 0.02579 0.04888 ++ {0.0} {i.h} {31.CA} 59.27465 0.68746 1.16582 ++ {0.0} {i-1.ca} {32.N} 119.26333 0.32708 0.60370 ++ {0.0} {i.n} 0.0 0.2712 1 {} 0
54 {33.H} 8.47902 0.02405 0.05438 ++ {0.0} {i.h} {32.CA} 57.36938 0.63280 1.14274 ++ {0.0} {i-1.ca} {33.N} 119.34000 0.30628 0.58334 ++ {0.0} {i.n} 0.0 0.4385 1 {} 0
55 {26.H} 8.65566 0.02827 0.05403 ++ {0.0} {i.h} {25.CA} 53.19023 0.66767 1.02060 ++ {0.0} {i-1.ca} {26.N} 119.34826 0.32998 0.56864 ++ {0.0} {i.n} 0.0 0.1512 1 {} 0
56 {} 8.19192 0.02890 0.04750 ++ {0.0} {} {} 43.55774 0.66124 1.05546 ++ {0.0} {} {} 119.32956 0.27510 0.50530 ++ {0.0} {} 0.0 0.2563 1 {} 0
57 {26.H} 8.65495 0.02852 0.05465 ++ {0.0} {i.h} {25.CB} 41.04677 0.56874 0.88147 ++ {0.0} {i-1.cb} {26.N} 119.34923 0.32508 0.55964 ++ {0.0} {i.n} 0.0 0.1502 1 {} 0
58 {32.H} 7.70699 0.01968 0.03560 ++ {0.0} {i.h} {31.CB} 29.93935 0.65648 0.97858 ++ {0.0} {i-1.cb} {32.N} 119.28799 0.32917 0.55111 ++ {0.0} {i.n} 0.0 0.1284 1 {} 0
59 {33.H} 8.47862 0.02210 0.04133 ++ {0.0} {i.h} {32.CB} 29.84830 0.66606 1.01933 ++ {0.0} {i-1.cb} {33.N} 119.34732 0.31043 0.54176 ++ {0.0} {i.n} 0.0 0.1642 1 {} 0
60 {52.H} 8.22289 0.02410 0.04910 ++ {0.0} {i.h} {51.CA} 63.59512 0.62789 1.12172 ++ {0.0} {i-1.ca} {52.N} 118.99957 0.29573 0.55701 ++ {0.0} {i.n} 0.0 0.3590 1 {} 0
61 {51.H} 9.00934 0.02690 0.05032 ++ {0.0} {i.h} {50.CA} 63.40252 0.68533 1.03256 ++ {0.0} {i-1.ca} {51.N} 119.08929 0.33323 0.57484 ++ {0.0} {i.n} 0.0 0.1522 1 {} 0
62 {19.H} 8.18956 0.02212 0.05159 ++ {0.0} {i.h} {18.CA} 58.35520 0.63844 1.09186 ++ {0.0} {i-1.ca} {19.N} 119.00587 0.29558 0.56033 ++ {0.0} {i.n} 0.0 0.4011 1 {} 0
63 {17.H} 7.73900 0.02506 0.04954 ++ {0.0} {i.h} {16.CA} 58.29645 0.60958 1.10019 ++ {0.0} {i-1.ca} {17.N} 118.98209 0.32003 0.60616 ++ {0.0} {i.n} 0.0 0.3951 1 {} 0
64 {17.H} 7.73730 0.02190 0.04780 ++ {0.0} {i.h} {16.CB} 41.84512 0.60085 1.04376 ++ {0.0} {i-1.cb} {17.N} 118.98698 0.31581 0.57328 ++ {0.0} {i.n} 0.0 0.2265 1 {} 0
65 {52.H} 8.22319 0.02413 0.04318 ++ {0.0} {i.h} {51.CB} 39.72763 0.69316 1.07758 ++ {0.0} {i-1.cb} {52.N} 119.00366 0.28520 0.50503 ++ {0.0} {i.n} 0.0 0.1825 1 {} 0
66 {19.H} 8.18895 0.02167 0.04049 ++ {0.0} {i.h} {18.CB} 37.69139 0.64878 1.00180 ++ {0.0} {i-1.cb} {19.N} 119.00738 0.28457 0.49775 ++ {0.0} {i.n} 0.0 0.1668 1 {} 0
67 {51.H} 9.01318 0.02311 0.02751 ++ {0.0} {i.h} {50.CB} 29.37687 0.56987 0.69106 ++ {0.0} {i-1.cb} {51.N} 119.04871 0.31762 0.41053 ++ {0.0} {i.n} 0.0 0.0591 1 {} 0
68 {45.H} 8.34536 0.02383 0.05421 ++ {0.0} {i.h} {44.CA} 61.32890 0.65560 1.13220 ++ {0.0} {i-1.ca} {45.N} 118.67186 0.30360 0.57877 ++ {0.0} {i.n} 0.0 0.4469 1 {} 0
69 {45.H} 8.34555 0.02253 0.04052 ++ {0.0} {i.h} {44.CB} 30.00897 0.58914 1.03530 ++ {0.0} {i-1.cb} {45.N} 118.66886 0.29502 0.53425 ++ {0.0} {i.n} 0.0 0.2212 1 {} 0
70 {34.H} 7.97490 0.02483 0.05073 ++ {0.0} {i.h} {33.CA} 60.81336 0.66987 1.09836 ++ {0.0} {i-1.ca} {34.N} 118.25226 0.32749 0.59785 ++ {0.0} {i.n} 0.0 0.2398 1 {} 0
71 {57.H} 7.36302 0.02626 0.05859 ++ {0.0} {i.h} {56.CA} 57.69577 0.68000 1.16988 ++ {0.0} {i-1.ca} {57.N} 118.33236 0.29427 0.56854 ++ {0.0} {i.n} 0.0 0.6157 1 {} 0
72 {57.H} 7.36211 0.02556 0.04371 ++ {0.0} {i.h} {56.CB} 32.24015 0.64905 1.00289 ++ {0.0} {i-1.cb} {57.N} 118.33134 0.28759 0.51299 ++ {0.0} {i.n} 0.0 0.1935 1 {} 0
73 {34.H} 7.97230 0.02674 0.03893 ++ {0.0} {i.h} {33.CB} 30.44080 0.55268 0.82874 ++ {0.0} {i-1.cb} {34.N} 118.29118 0.30108 0.47716 ++ {0.0} {i.n} 0.0 0.1008 1 {} 0
74 {56.H} 7.48970 0.02447 0.04890 ++ {0.0} {i.h} {55.CA} 60.15349 0.65288 1.05906 ++ {0.0} {i-1.ca} {56.N} 118.00865 0.32226 0.60621 ++ {0.0} {i.n} 0.0 0.3519 1 {} 0
75 {13.H} 8.42184 0.02229 0.04856 ++ {0.0} {i.h} {12.CA} 59.83058 0.65748 1.12253 ++ {0.0} {i-1.ca} {13.N} 118.01466 0.32886 0.61964 ++ {0.0} {i.n} 0.0 0.3612 1 {} 0
76 {53.H} 8.31900 0.02502 0.05078 ++ {0.0} {i.h} {52.CA} 59.51396 0.62017 1.10907 ++ {0.0} {i-1.ca} {53.N} 118.00198 0.30319 0.57499 ++ {0.0} {i.n} 0.0 0.4041 1 {} 0
77 {56.H} 7.48899 0.02643 0.03642 ++ {0.0} {i.h} {55.CB} 31.63403 0.70256 0.91837 ++ {0.0} {i-1.cb} {56.N} 118.01080 0.32765 0.48477 ++ {0.0} {i.n} 0.0 0.0804 1 {} 0
78 {13.H} 8.42225 0.02331 0.04010 ++ {0.0} {i.h} {12.CB} 29.53070 0.64461 0.98573 ++ {0.0} {i-1.cb} {13.N} 118.01120 0.31948 0.55637 ++ {0.0} {i.n} 0.0 0.1618 1 {} 0
79 {53.H} 8.31927 0.02221 0.04196 ++ {0.0} {i.h} {52.CB} 28.45823 0.63518 1.03721 ++ {0.0} {i-1.cb} {53.N} 118.00304 0.29097 0.53308 ++ {0.0} {i.n} 0.0 0.2491 1 {} 0
80 {55.H} 7.96623 0.02485 0.05129 ++ {0.0} {i.h} {54.CA} 56.43588 0.63598 1.08140 ++ {0.0} {i-1.ca} {55.N} 117.66241 0.28460 0.53876 ++ {0.0} {i.n} 0.0 0.3911 1 {} 0
81 {55.H} 7.96503 0.02251 0.04041 ++ {0.0} {i.h} {54.CB} 28.33523 0.60213 0.91797 ++ {0.0} {i-1.cb} {55.N} 117.65850 0.27770 0.47620 ++ {0.0} {i.n} 0.0 0.1467 1 {} 0
82 {} 7.99750 0.02536 0.05782 ++ {0.0} {} {} 59.60942 0.67460 1.14980 ++ {0.0} {} {} 117.33023 0.29847 0.57239 ++ {0.0} {} 0.0 0.5086 -1 {} 0
83 {24.H} 7.62667 0.02770 0.05083 ++ {0.0} {i.h} {23.CA} 58.78994 0.67435 1.08787 ++ {0.0} {i-1.ca} {24.N} 117.34936 0.33620 0.62519 ++ {0.0} {i.n} 0.0 0.2979 1 {} 0
84 {9.H} 8.17896 0.03380 0.08277 ++ {0.0} {i.h} {8.CA} 55.66127 0.65235 1.05837 ++ {0.0} {i-1.ca} {9.N} 117.32869 0.29633 0.55464 ++ {0.0} {i.n} 0.0 0.3262 1 {} 0
85 {41.H} 8.01395 0.02700 0.05187 ++ {0.0} {i.h} {40.CA} 54.27712 0.66876 1.11531 ++ {0.0} {i-1.ca} {41.N} 117.34486 0.33337 0.62939 ++ {0.0} {i.n} 0.0 0.3713 1 {} 0
86 {41.H} 8.01389 0.02499 0.04381 ++ {0.0} {i.h} {40.CB} 42.64927 0.58879 0.97788 ++ {0.0} {i-1.cb} {41.N} 117.34315 0.32958 0.59135 ++ {0.0} {i.n} 0.0 0.2033 1 {} 0
87 {} 7.99791 0.02501 0.04192 ++ {0.0} {} {} 30.06025 0.66606 1.05107 ++ {0.0} {} {} 117.33107 0.29529 0.53105 ++ {0.0} {} 0.0 0.2075 -1 {} 0
88 {9.H} 8.17781 0.03547 0.07089 ++ {0.0} {i.h} {8.CB} 29.59066 0.63830 1.03379 ++ {0.0} {i-1.cb} {9.N} 117.33087 0.29510 0.52622 ++ {0.0} {i.n} 0.0 0.1929 1 {} 0
89 {24.H} 7.62711 0.02631 0.04507 ++ {0.0} {i.h} {23.CB} 29.06824 0.57441 0.98607 ++ {0.0} {i-1.cb} {24.N} 117.34142 0.33672 0.59165 ++ {0.0} {i.n} 0.0 0.1723 1 {} 0
90 {25.H} 8.34401 0.02345 0.05025 ++ {0.0} {i.h} {24.CA} 59.70308 0.67832 1.15588 ++ {0.0} {i-1.ca} {25.N} 116.66097 0.29946 0.57392 ++ {0.0} {i.n} 0.0 0.5012 1 {} 0
91 {25.H} 8.34359 0.02428 0.04610 ++ {0.0} {i.h} {24.CB} 39.76498 0.69437 1.13628 ++ {0.0} {i-1.cb} {25.N} 116.66266 0.30061 0.55909 ++ {0.0} {i.n} 0.0 0.2985 1 {} 0
92 {14.H} 7.76656 0.02555 0.05480 ++ {0.0} {i.h} {13.CA} 61.34970 0.67208 1.12880 ++ {0.0} {i-1.ca} {14.N} 115.99461 0.30084 0.57277 ++ {0.0} {i.n} 0.0 0.4352 1 {} 0
93 {31.H} 8.33248 0.02278 0.04839 ++ {0.0} {i.h} {30.CA} 60.32121 0.61642 1.11910 ++ {0.0} {i-1.ca} {31.N} 115.99172 0.29246 0.56147 ++ {0.0} {i.n} 0.0 0.5218 1 {} 0
94 {14.H} 7.76636 0.02585 0.04467 ++ {0.0} {i.h} {13.CB} 39.62905 0.70981 1.11024 ++ {0.0} {i-1.cb} {14.N} 115.99599 0.29777 0.53319 ++ {0.0} {i.n} 0.0 0.1998 1 {} 0
95 {31.H} 8.33160 0.02318 0.03992 ++ {0.0} {i.h} {30.CB} 29.38135 0.66260 1.04509 ++ {0.0} {i-1.cb} {31.N} 115.99202 0.28934 0.51898 ++ {0.0} {i.n} 0.0 0.2028 1 {} 0
96 {27.H} 7.99554 0.02886 0.05388 ++ {0.0} {i.h} {} 54.74931 0.58377 0.96787 ++ {0.0} {i-1.ca} {27.N} 114.96712 0.30513 0.54613 ++ {0.0} {i.n} 0.0 0.1990 1 {} 0
97 {} 8.06681 0.01347 0.01904 ++ {0.0} {} {} 41.03959 0.67592 0.87982 ++ {0.0} {} {} 115.02618 0.29464 0.41820 ++ {0.0} {} 0.0 0.0721 1 {} 0
98 {} 7.29412 0.01928 0.02491 ++ {0.0} {} {} 41.01390 0.57310 0.77857 ++ {0.0} {} {} 114.99136 0.30396 0.42707 ++ {0.0} {} 0.0 0.0703 1 {} 0
99 {27.H} 7.99554 0.02792 0.03985 ++ {0.0} {i.h} {26.CB} 29.04307 0.68802 0.98877 ++ {0.0} {i-1.cb} {27.N} 114.97040 0.31598 0.50338 ++ {0.0} {i.n} 0.0 0.1028 1 {} 0
100 {11.H} 9.19331 0.02640 0.05028 ++ {0.0} {i.h} {10.CA} 56.82133 0.64095 1.07221 ++ {0.0} {i-1.ca} {11.N} 114.59143 0.33034 0.59472 ++ {0.0} {i.n} 0.0 0.2095 1 {} 0
101 {11.H} 9.19479 0.02799 0.04174 ++ {0.0} {i.h} {10.CB} 40.20573 0.64546 0.95871 ++ {0.0} {i-1.cb} {11.N} 114.58335 0.33317 0.53264 ++ {0.0} {i.n} 0.0 0.1043 1 {} 0
102 {23.H} 7.93780 0.02246 0.04886 ++ {0.0} {i.h} {22.CA} 60.71577 0.67288 1.11429 ++ {0.0} {i-1.ca} {23.N} 114.31683 0.29506 0.55864 ++ {0.0} {i.n} 0.0 0.3923 1 {} 0
103 {38.H} 8.02326 0.02363 0.04712 ++ {0.0} {i.h} {37.CA} 56.54279 0.66286 1.14309 ++ {0.0} {i-1.ca} {38.N} 114.27246 0.32153 0.60368 ++ {0.0} {i.n} 0.0 0.3417 1 {} 0
104 {23.H} 7.93783 0.01976 0.04089 ++ {0.0} {i.h} {22.CB} 39.20987 0.66238 1.03896 ++ {0.0} {i-1.cb} {23.N} 114.32044 0.28717 0.51458 ++ {0.0} {i.n} 0.0 0.2010 1 {} 0
105 {38.H} 8.02389 0.02356 0.04027 ++ {0.0} {i.h} {37.CB} 17.48097 0.65686 1.04588 ++ {0.0} {i-1.cb} {38.N} 114.27290 0.31389 0.55446 ++ {0.0} {i.n} 0.0 0.1791 1 {} 0
106 {15.H} 8.52929 0.02197 0.04927 ++ {0.0} {i.h} {14.CA} 59.27729 0.64225 1.10981 ++ {0.0} {i-1.ca} {15.N} 113.61050 0.32657 0.60469 ++ {0.0} {i.n} 0.0 0.2820 1 {} 0
107 {15.H} 8.52840 0.02086 0.03534 ++ {0.0} {i.h} {14.CB} 27.87237 0.58991 0.85483 ++ {0.0} {i-1.cb} {15.N} 113.62151 0.32525 0.52236 ++ {0.0} {i.n} 0.0 0.1062 1 {} 0
108 {40.H} 8.40087 0.02818 0.05556 ++ {0.0} {i.h} {39.CA} 55.14666 0.64955 1.12851 ++ {0.0} {i-1.ca} {40.N} 112.98714 0.30026 0.57198 ++ {0.0} {i.n} 0.0 0.4400 1 {} 0
109 {40.H} 8.40270 0.02824 0.05149 ++ {0.0} {i.h} {39.CB} 18.74601 0.63834 1.10121 ++ {0.0} {i-1.cb} {40.N} 112.98663 0.29620 0.54354 ++ {0.0} {i.n} 0.0 0.2536 1 {} 0
110 {} 7.53176 0.01581 0.02471 ++ {0.0} {} {} 33.89123 0.70717 1.05735 ++ {0.0} {} {} 112.35306 0.33347 0.56488 ++ {0.0} {} 0.0 0.1367 1 {} 0
111 {53.HD22} 6.86373 0.01894 0.02871 ++ {0.0} {i.h} {} 33.85396 0.63758 0.99722 ++ {0.0} {i-1.cb,ca} {53.ND2} 112.32778 0.32747 0.53818 ++ {0.0} {i.n} 0.0 0.1173 1 {} 0
112 {} 7.53014 0.01401 0.01864 ++ {0.0} {} {} 29.57525 0.61531 0.77499 ++ {0.0} {} {} 112.32849 0.31494 0.43213 ++ {0.0} {} 0.0 0.0666 1 {} 0
113 {29.H} 7.64712 0.02866 0.05152 ++ {0.0} {i.h} {28.CA} 53.34965 0.69867 1.09129 ++ {0.0} {i-1.ca} {29.N} 111.71671 0.34653 0.61970 ++ {0.0} {i.n} 0.0 0.1976 1 {} 0
114 {29.H} 7.64600 0.02459 0.03636 ++ {0.0} {i.h} {28.CB} 44.55581 0.67999 0.94993 ++ {0.0} {i-1.cb} {29.N} 111.72887 0.33599 0.51526 ++ {0.0} {i.n} 0.0 0.0897 1 {} 0
115 {} 7.54981 0.01050 0.02103 ++ {0.0} {} {} 33.74346 0.60299 0.92974 ++ {0.0} {} {} 110.64223 0.29355 0.49891 ++ {0.0} {} 0.0 0.1392 1 {} 0
116 {} 6.92829 0.01919 0.02709 ++ {0.0} {} {} 33.78177 0.64285 0.88088 ++ {0.0} {} {} 110.65187 0.34465 0.52229 ++ {0.0} {} 0.0 0.0863 1 {} 0
117 {6.H} 8.46960 0.03361 0.06946 ++ {0.0} {i.h} {5.CA} 56.24355 0.64860 1.06778 ++ {0.0} {i-1.ca} {6.N} 110.38961 0.34102 0.61816 ++ {0.0} {i.n} 0.0 0.2233 1 {} 0
118 {6.H} 8.46951 0.03460 0.05337 ++ {0.0} {i.h} {5.CB} 31.07980 0.64265 0.96994 ++ {0.0} {i-1.cb} {6.N} 110.38118 0.34255 0.57334 ++ {0.0} {i.n} 0.0 0.1282 1 {} 0
119 {43.H} 8.76724 0.03217 0.05406 ++ {0.0} {i.h} {42.CA} 52.67583 0.70022 1.12381 ++ {0.0} {i-1.ca} {43.N} 109.33117 0.33640 0.61969 ++ {0.0} {i.n} 0.0 0.2650 1 {} 0
120 {43.H} 8.76733 0.02784 0.04610 ++ {0.0} {i.h} {42.CB} 47.53369 0.60157 0.90982 ++ {0.0} {i-1.cb} {43.N} 109.32427 0.32780 0.56034 ++ {0.0} {i.n} 0.0 0.1439 1 {} 0
121 {50.H} 8.16140 0.02451 0.05554 ++ {0.0} {i.h} {49.CB} 38.41570 0.65140 1.16005 ++ {0.0} {i-1.cb} {50.N} 122.34350 0.29732 0.57610 ++ {0.0} {i.n} 0.0 0.3433 1 {} 0
122 {} 6.89516 0.01938 0.02573 ++ {0.0} {} {} 35.80830 0.66695 0.89587 ++ {0.0} {} {} 111.61972 0.40254 0.59090 ++ {0.0} {} 0.0 0.0323 1 {} 0
123 {} 6.89020 0.01303 0.02067 ++ {0.0} {} {} 37.76060 0.54436 0.76622 ++ {0.0} {} {} 111.62440 0.30348 0.43477 ++ {0.0} {} 0.0 0.0378 1 {} 0
124 {} 7.55046 0.01122 0.02056 ++ {0.0} {} {} 28.57929 0.66867 1.02952 ++ {0.0} {} {} 110.66385 0.30921 0.51197 ++ {0.0} {} 0.0 0.0499 1 {} 0
125 {12.H} 9.09332 0.02223 0.04955 ++ {0.0} {i.h} {11.CB} 71.15870 0.74419 0.97178 ++ {0.0} {i-1.cb} {12.N} 123.31879 0.24588 0.34755 ++ {0.0} {i.n} 0.0 0.0366 1 {} 0
126 {20.H} 7.78277 0.02324 0.02945 ++ {0.0} {i.h} {19.CA} 59.26751 0.59086 0.76186 ++ {0.0} {i-1.ca} {20.N} 120.35477 0.31876 0.43622 ++ {0.0} {i.n} 0.0 0.3167 0 {} 0
127 {20.H} 7.78210 0.02385 0.01623 ++ {0.0} {i.h} {19.CB} 29.15281 0.66437 0.46462 ++ {0.0} {i-1.cb} {20.N} 120.35129 0.32909 0.18358 ++ {0.0} {i.n} 0.0 0.1387 0 {} 0
128 {4.H} 8.60412 0.01830 0.02957 ++ {0.0} {i.h} {3.CB} 31.03193 0.53819 0.73899 ++ {0.0} {i-1.cb} {4.N} 123.70752 0.26626 0.40274 ++ {0.0} {i.n} 0.0 0.0281 0 {} 0
129 {4.H} 8.61192 0.03569 0.04584 ++ {0.0} {i.h} {3.CA} 56.39132 0.58482 0.81823 ++ {0.0} {i-1.ca} {4.N} 123.68822 0.28212 0.43417 ++ {0.0} {i.n} 0.0 0.0726 0 {} 0
130 {} 8.42225 0.02331 0.01893 ++ {0.0} {} {} 29.53070 0.64461 0.54499 ++ {0.0} {} {} 118.01120 0.31948 0.24411 ++ {0.0} {} 0.0 0.1618 0 {} 0
131 {46.H} 7.99750 0.02536 0.03896 ++ {0.0} {i.h} {45.CA} 59.60942 0.67460 0.96268 ++ {0.0} {i-1.ca} {46.N} 117.33023 0.29847 0.47958 ++ {0.0} {i.n} 0.0 0.5086 0 {} 0
132 {46.H} 7.99791 0.02501 0.02568 ++ {0.0} {i.h} {45.CB} 30.06025 0.66606 0.68221 ++ {0.0} {i-1.cb} {46.N} 117.33107 0.29529 0.30599 ++ {0.0} {i.n} 0.0 0.2075 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 . 'not observed' 6300 Hz . . . 4.776 . . 31057 1
2 . . C 13 C-aliphatic . 'not observed' 10500 Hz . . . 46.000 . . 31057 1
3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 1
stop_
save_