Content for NMR-STAR saveframe, "spectral_peak_list_4"
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 51025
_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 4
_Spectral_peak_list.Experiment_name '3D HNCACO'
_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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
_nef_spectrum_dimension.dimension_id
_nef_spectrum_dimension.axis_unit
_nef_spectrum_dimension.axis_code
_nef_spectrum_dimension.spectrometer_frequency
_nef_spectrum_dimension.spectral_width
_nef_spectrum_dimension.value_first_point
_nef_spectrum_dimension.folding
_nef_spectrum_dimension.absolute_peak_positions
_nef_spectrum_dimension.is_acquisition
1 ppm 1H 750.2940063 7.158652081 12.55432604 circular true true
2 ppm 13C 188.6940002 12.04451147 181.9722557 circular true false
3 ppm 15N 76.03500366 32.87959334 133.3897967 circular true false
_nef_peak.index
_nef_peak.peak_id
_nef_peak.volume
_nef_peak.volume_uncertainty
_nef_peak.height
_nef_peak.height_uncertainty
_nef_peak.position_1
_nef_peak.position_uncertainty_1
_nef_peak.position_2
_nef_peak.position_uncertainty_2
_nef_peak.position_3
_nef_peak.position_uncertainty_3
_nef_peak.chain_code_1
_nef_peak.sequence_code_1
_nef_peak.residue_name_1
_nef_peak.atom_name_1
_nef_peak.chain_code_2
_nef_peak.sequence_code_2
_nef_peak.residue_name_2
_nef_peak.atom_name_2
_nef_peak.chain_code_3
_nef_peak.sequence_code_3
_nef_peak.residue_name_3
_nef_peak.atom_name_3
99 128 18598051.38 . 786693.625 . 8.109081563 . 175.0279405 . 120.8737552 . A 1 MET H% A 1 MET C A 1 MET N
98 126 41225666.75 . 1928032 . 8.230021771 . 174.6046052 . 122.1956568 . A 2 ASN H A 2 ASN C A 2 ASN N
18 32 19834161.19 . 787836.5625 . 7.793610176 . 177.9094784 . 120.5473936 . A 5 ILE H A 5 ILE C A 5 ILE N
20 34 17684917.81 . 751970.5 . 6.948710416 . 177.8861725 . 118.8170621 . A 6 TYR H A 6 TYR C A 6 TYR N
21 36 19048416.38 . 817500.5 . 8.568250657 . 175.2852765 . 105.7526945 . A 8 GLY H A 8 GLY C A 8 GLY N
22 37 19113685.31 . 836451.5 . 8.578725221 . 173.9656267 . 108.867112 . A 9 GLY H A 9 GLY C A 9 GLY N
23 38 14016138.62 . 596965.5 . 8.678336607 . 180.9197835 . 125.9102171 . A 10 ALA H A 10 ALA C A 10 ALA N
101 130 17447943.69 . 814673.9375 . 8.903783695 . 178.1830552 . 122.7622849 . A 16 ILE H A 16 ILE C A 16 ILE N
102 131 17994401.44 . 857880.0625 . 8.846065405 . 174.3175289 . 109.3757118 . A 17 GLY H A 17 GLY C A 17 GLY N
103 132 15480891.12 . 698908.375 . 8.531175786 . 178.3432061 . 118.477097 . A 18 THR H A 18 THR C A 18 THR N
104 133 15264228.41 . 719714.875 . 8.667006754 . 178.5010835 . 122.092979 . A 20 LEU H A 20 LEU C A 20 LEU N
106 135 30294080.56 . 1430813.375 . 8.278810337 . 181.6041218 . 121.7272946 . A 21 MET H A 21 MET C A 21 MET N
24 39 38437065.5 . 1652275.25 . 7.61781961 . 178.3211257 . 125.1147135 . A 22 LYS H A 22 LYS C A 22 LYS N
25 40 36029211.5 . 1553590.5 . 7.488529889 . 176.0898488 . 119.2562879 . A 23 PHE H A 23 PHE C A 23 PHE N
27 42 53041263 . 2257967.25 . 7.722135071 . 177.8469378 . 121.362724 . A 25 GLU H A 25 GLU C A 25 GLU N
28 43 24384324.56 . 1064254.625 . 9.388190432 . 174.9599375 . 112.2883156 . A 26 GLY H A 26 GLY C A 26 GLY N
29 44 30951129.62 . 1344994.375 . 7.901836352 . 174.1639507 . 113.6033161 . A 27 PHE H A 27 PHE C A 27 PHE N
8 16 30076683.38 . 1360543 . 7.431962476 . 178.1165247 . 120.0547738 . A 29 ARG H A 29 ARG C A 29 ARG N
30 47 110139902.8 . 4910403.5 . 9.32666534 . 177.2439117 . 119.350925 . A 31 TRP H A 31 TRP C A 31 TRP N
73 96 39440081.38 . 1616501.125 . 8.392040344 . 178.3755391 . 122.2901244 . A 34 VAL H A 34 VAL C A 34 VAL N
31 48 38273357.25 . 1621927.5 . 8.39603716 . 178.3725122 . 121.6708445 . A 34 VAL H A 34 VAL C A 34 VAL N
3 7 -80632.26709 . 13230.2793 . 8.775085399 . 174.4950602 . 104.9554985 . A 35 GLY H A 35 GLY C A 35 GLY N
1 2 20001119.56 . 929030.625 . 8.284043229 . 174.5335773 . 121.1135651 . A 36 THR H A 35 GLY C A 36 THR N
33 50 25589407.31 . 1065428.5 . 7.52955428 . 178.2129133 . 119.4352387 . A 37 ILE H A 37 ILE C A 37 ILE N
12 25 18442548.47 . 865626.8125 . 8.290782144 . 177.923309 . 118.8006152 . A 38 ILE H A 38 ILE C A 38 ILE N
110 139 23331106.81 . 1078440.25 . 8.200497166 . 177.3629884 . 116.8040429 . A 39 CYS H A 39 CYS C A 39 CYS N
111 140 17225199 . 756602.125 . 8.10977372 . 177.1537687 . 117.4780145 . A 44 PHE H A 44 PHE C A 44 PHE N
112 141 28936506.84 . 1168775.25 . 8.404742241 . 178.3706021 . 119.9233448 . A 45 TRP H A 45 TRP C A 45 TRP N
113 142 40497477.25 . 1769340.625 . 8.116021977 . 179.6951372 . 121.6063091 . A 48 ALA H A 48 ALA C A 48 ALA N
14 27 28489599.81 . 1266710.25 . 7.278211144 . 177.9468651 . 114.3353846 . A 49 GLN H A 49 GLN C A 49 GLN N
115 144 27641263.94 . 1271337.875 . 7.21122711 . 177.5035878 . 119.0336242 . A 52 ALA H A 52 ALA C A 52 ALA N
116 145 18197413.41 . 844364.375 . 7.7140901 . 174.959199 . 113.9302358 . A 53 TYR H A 53 TYR C A 53 TYR N
2 5 34053565.5 . 1521859.75 . 7.828201231 . 172.8718142 . 119.6886 . A 54 ILE H A 54 ILE C A 54 ILE N
117 146 15401148.53 . 628595.3125 . 8.2324916 . 175.7383271 . 118.4698935 . A 56 THR H A 56 THR C A 56 THR N
118 147 31878627.06 . 1350264.375 . 8.783246425 . 175.9329917 . 107.4938726 . A 57 GLY H A 57 GLY C A 57 GLY N
35 52 23020764.16 . 1013610.625 . 6.826746563 . 176.8691266 . 119.4556209 . A 58 ILE H A 58 ILE C A 58 ILE N
36 53 23751094.06 . 1010184 . 7.896899754 . 179.1461816 . 121.0434602 . A 59 ALA H A 59 ALA C A 59 ALA N
119 148 21308630.06 . 940528.8125 . 8.75314499 . 178.9980912 . 120.7896831 . A 68 ILE H A 68 ILE C A 68 ILE N
37 54 21071584.12 . 898683 . 8.481930993 . 178.4709072 . 124.2420404 . A 73 LEU H A 73 LEU C A 73 LEU N
120 149 41494392.5 . 1848367.75 . 8.722377038 . 178.9924449 . 119.1415901 . A 74 LEU H A 74 LEU C A 74 LEU N
10 20 23914730.38 . 1063468 . 7.871202816 . 177.8264696 . 125.6405253 . A 76 TRP H A 76 TRP C A 76 TRP N
38 55 34057914.38 . 1519386.125 . 8.203292984 . 173.7612513 . 104.3068045 . A 77 GLY H A 77 GLY C A 77 GLY N
39 56 47841528.62 . 2130386 . 8.48824098 . 176.7118592 . 114.4367912 . A 78 PHE H A 78 PHE C A 78 PHE N
40 57 19090540.5 . 808535.5 . 6.849378249 . 176.8772393 . 112.3234266 . A 79 PHE H A 78 PHE C A 79 PHE N
41 58 30467722.12 . 1395931.375 . 6.867581056 . 176.5416137 . 112.3032439 . A 79 PHE H A 79 PHE C A 79 PHE N
42 60 26698205.06 . 1174689.25 . 7.512880607 . 175.0451897 . 109.307925 . A 80 GLY H A 80 GLY C A 80 GLY N
43 61 42347274.5 . 1859159.25 . 7.591475648 . 174.1752127 . 119.4872501 . A 81 GLN H A 81 GLN C A 81 GLN N
44 62 90112789.25 . 3864372.75 . 7.847785083 . 175.2926615 . 126.3137092 . A 82 ARG H A 82 ARG C A 82 ARG N
121 150 16367530.28 . 766092.8125 . 6.751827038 . 174.8245774 . 122.9878468 . A 83 LEU H A 83 LEU C A 83 LEU N
107 136 46618496.75 . 2088794.5 . 7.481523307 . 175.3357951 . 119.144258 . A 84 ASP H A 84 ASP C A 84 ASP N
122 152 127209820.5 . 5719157 . 8.743003317 . 175.9176979 . 118.3634024 . A 85 LEU H A 85 LEU C A 85 LEU N
46 64 30473949.75 . 1306325 . 7.533151398 . 178.96312 . 117.2128447 . A 87 ALA H A 87 ALA C A 87 ALA N
47 65 30920286.69 . 1375807.75 . 8.210392964 . 178.1370567 . 118.2617784 . A 88 ILE H A 88 ILE C A 88 ILE N
48 66 42067355.62 . 1882928.125 . 8.781804868 . 178.2563265 . 119.3341526 . A 89 ILE H A 89 ILE C A 89 ILE N
49 67 40830642.12 . 1699772.875 . 8.799490698 . 175.806571 . 107.5176848 . A 90 GLY H A 90 GLY C A 90 GLY N
50 68 24814434.5 . 1071901.5 . 8.653409476 . 178.3729417 . 120.8268508 . A 91 MET H A 91 MET C A 91 MET N
51 69 22810649.38 . 959773.5 . 8.577940313 . 178.0759456 . 120.2333013 . A 92 MET H A 92 MET C A 92 MET N
53 71 15639299.66 . 656658.5 . 8.539978451 . 175.1626368 . 105.5857817 . A 97 GLY H A 97 GLY C A 97 GLY N
54 73 20587524.19 . 854564.6875 . 8.362096794 . 178.4579404 . 120.9478865 . A 98 VAL H A 98 VAL C A 98 VAL N
123 155 12331384.5 . 585987.6875 . 7.996019102 . 176.7191856 . 118.1762258 . A 101 ILE H A 101 ILE C A 101 ILE N
55 74 21891896.44 . 1041789.75 . 7.695551313 . 176.6463781 . 114.6312697 . A 104 LEU H A 104 LEU C A 104 LEU N
56 76 40697529.5 . 1831753.25 . 9.438992165 . 176.6722328 . 127.37301 . A 106 ARG H A 106 ARG C A 106 ARG N
58 78 102345150 . 4612873 . 7.690643963 . 172.7861799 . 116.9520584 . A 108 THR H A 108 THR C A 108 THR N
59 79 616081032 . 28445972 . 7.846294637 . 178.7418548 . 123.8929284 . A 110 HIS H A 110 HIS C A 110 HIS N
60 80 32394968.88 . 1369366.125 . 8.330383911 . 178.2498683 . 116.5214464 . B 4 TYR H B 4 TYR C B 4 TYR N
5 9 -4936383.273 . -228170.6875 . 7.811722398 . 172.9855164 . 121.2010282 . B 5 ILE H . . . B 5 ILE N
61 82 21875477.19 . 933174.6875 . 7.776059538 . 177.9051058 . 121.1026001 . B 5 ILE H B 5 ILE C B 5 ILE N
62 83 31457979.06 . 1364802.5 . 6.826127512 . 177.8798299 . 118.9023851 . B 6 TYR H B 6 TYR C B 6 TYR N
64 85 21178751.75 . 907056.25 . 8.725404178 . 175.573048 . 106.2090804 . B 8 GLY H B 8 GLY C B 8 GLY N
65 86 23801433.31 . 1067411.75 . 8.660548261 . 174.2131105 . 109.299616 . B 9 GLY H B 9 GLY C B 9 GLY N
66 87 26838191.38 . 1189958.875 . 8.790891421 . 181.9122102 . 125.2586312 . B 10 ALA H B 10 ALA C B 10 ALA N
124 156 37886435.88 . 1477821 . 8.36211344 . 178.3851957 . 120.1390856 . B 12 LEU H B 12 LEU C B 12 LEU N
125 157 25507041.06 . 1069303.375 . 8.699828891 . 179.0084316 . 119.068268 . B 13 ALA H B 13 ALA C B 13 ALA N
100 129 19113685.31 . 836451.5 . 8.600650724 . 174.5833634 . 108.7971209 . B 17 GLY H B 17 GLY C B 17 GLY N
109 138 32928555 . 1474488.5 . 8.293071928 . 181.1220591 . 121.3647215 . B 21 MET H . . . B 21 MET N
67 89 42328594.12 . 1862919.125 . 7.749906716 . 178.2377615 . 122.9188845 . B 22 LYS H B 22 LYS C B 22 LYS N
68 90 58732742 . 2537941.5 . 7.610917397 . 175.6144511 . 117.9436426 . B 23 PHE H B 23 PHE C B 23 PHE N
69 92 74399000.75 . 3302183 . 8.091989481 . 177.9787033 . 122.1721846 . B 25 GLU H B 25 GLU C B 25 GLU N
70 93 24729203.38 . 1062033.625 . 9.172268426 . 174.592542 . 113.1416518 . B 26 GLY H B 26 GLY C B 26 GLY N
71 94 46194659.75 . 2036424.875 . 7.58624893 . 177.7821744 . 120.8903365 . B 29 ARG H B 29 ARG C B 29 ARG N
72 95 71193197.5 . 3135503 . 9.183425205 . 177.0818224 . 118.7688526 . B 31 TRP H B 31 TRP C B 31 TRP N
32 49 39440081.38 . 1616501.125 . 8.390255891 . 178.3376657 . 122.0091174 . B 34 VAL H B 34 VAL C B 34 VAL N
74 98 32968768.56 . 1398105.875 . 8.783331434 . 174.6193249 . 105.514203 . B 35 GLY H B 35 GLY C B 35 GLY N
75 99 40290240.38 . 1755999 . 7.487706434 . 178.255457 . 119.3010487 . B 37 ILE H B 37 ILE C B 37 ILE N
126 158 31050892.81 . 1282211.625 . 8.358843032 . 177.6570049 . 119.4462285 . B 38 ILE H B 38 ILE C B 38 ILE N
13 26 36604688.25 . 1583413.875 . 8.256938213 . 177.6086664 . 116.9558452 . B 39 CYS H B 39 CYS C B 39 CYS N
97 125 18225042.94 . 759151 . 8.535837453 . 176.4251339 . 118.0948704 . B 41 CYS H B 41 CYS C B 41 CYS N
96 124 44984193.75 . 1941841.125 . 8.331652538 . 178.3644942 . 120.13447 . B 42 ALA H B 42 ALA C B 42 ALA N
127 159 26070501.44 . 1099886.5 . 8.428689765 . 178.7652225 . 120.9305259 . B 45 TRP H B 45 TRP C B 45 TRP N
129 161 17832407.97 . 792778.5 . 8.709580522 . 180.6917235 . 121.2235375 . B 48 ALA H B 48 ALA C B 48 ALA N
130 162 24662007 . 1093624.5 . 7.306650716 . 177.6461745 . 114.8801004 . B 49 GLN H B 49 GLN C B 49 GLN N
15 28 19170241.69 . 787417.5 . 6.872314257 . 176.7286495 . 118.0638168 . B 51 LEU H B 51 LEU C B 51 LEU N
131 163 37879871.62 . 1713287.5 . 7.038520189 . 177.1809114 . 120.1892177 . B 52 ALA H B 52 ALA C B 52 ALA N
132 164 14725237.97 . 682096.25 . 7.536318029 . 174.5002922 . 113.1527444 . B 53 TYR H B 53 TYR C B 53 TYR N
16 30 31723188.31 . 1414821.625 . 7.805927118 . 173.341532 . 119.3728641 . B 54 ILE H B 54 ILE C B 54 ILE N
76 100 17724885.88 . 790317.5625 . 9.992121917 . 175.1857417 . 106.8002174 . B 57 GLY H B 57 GLY C B 57 GLY N
77 101 21272112.38 . 927456.5 . 6.492892926 . 176.7373462 . 118.1311877 . B 58 ILE H B 58 ILE C B 58 ILE N
133 165 33322527.69 . 1477906.125 . 8.296247219 . 178.4878269 . 121.939873 . B 59 ALA H B 59 ALA C B 59 ALA N
134 166 14069411.41 . 614123.125 . 8.426855817 . 176.6625845 . 116.0633702 . B 60 TYR H B 60 TYR C B 60 TYR N
135 167 28141166.19 . 1191053.25 . 8.116550082 . 179.6909932 . 118.6152225 . B 61 ALA H B 61 ALA C B 61 ALA N
139 171 24600139.75 . 1033597.062 . 8.547606598 . 176.7406328 . 117.1057682 . B 62 ILE H B 62 ILE C B 62 ILE N
140 172 20030354.88 . 894835.1875 . 8.423715147 . 178.3278458 . 122.0795843 . B 63 TRP H B 63 TRP C B 63 TRP N
136 168 33728267.69 . 1410512.25 . 8.632528403 . 178.6979864 . 119.3191511 . B 71 ILE H B 71 ILE C B 71 ILE N
9 19 17743565.22 . 863740.8125 . 8.245629442 . 176.1827125 . 121.5056703 . B 73 LEU H . . . B 73 LEU N
137 169 30176349.62 . 1351457.25 . 8.212009543 . 179.2613195 . 121.3323529 . B 73 LEU H B 73 LEU C B 73 LEU N
114 143 42075407.62 . 1770011.75 . 8.737870481 . 179.2926008 . 120.1295047 . B 74 LEU H B 74 LEU C B 74 LEU N
79 103 29092165.88 . 1204163.875 . 8.534511829 . 176.7078959 . 117.1057682 . B 75 SER H B 75 SER C B 75 SER N
78 102 47350409.38 . 2051271 . 7.890272328 . 177.8550095 . 124.5417349 . B 76 TRP H B 76 TRP C B 76 TRP N
80 104 37232008.56 . 1741870.625 . 8.752695859 . 173.6032562 . 105.4992278 . B 77 GLY H B 77 GLY C B 77 GLY N
81 106 31793915.19 . 1489222.5 . 8.22132633 . 176.0661605 . 113.4062193 . B 78 PHE H B 78 PHE C B 78 PHE N
82 107 34171150.5 . 1499552.375 . 7.210977642 . 176.8749662 . 114.2627639 . B 79 PHE H B 79 PHE C B 79 PHE N
83 109 59090733.88 . 2539529.5 . 7.949110901 . 174.640698 . 109.0784582 . B 80 GLY H B 80 GLY C B 80 GLY N
19 33 157820813.5 . 7064192.5 . 7.78293155 . 174.9771983 . 120.6829857 . B 81 GLN H B 81 GLN C B 81 GLN N
84 110 243219988 . 11269526 . 8.27914745 . 176.5603842 . 124.1706326 . B 82 ARG H B 82 ARG C B 82 ARG N
85 111 107243266 . 4891735 . 8.102030626 . 174.6180438 . 124.3745862 . B 83 LEU H B 83 LEU C B 83 LEU N
141 173 67398720.38 . 2964085.5 . 7.45369007 . 175.2483395 . 120.4614542 . B 84 ASP H B 84 ASP C B 84 ASP N
142 174 127209820.5 . 5719157 . 8.752358913 . 175.9444282 . 118.7740108 . B 85 LEU H B 85 LEU C B 85 LEU N
45 63 57823585.12 . 2506333 . 7.524374475 . 179.2344068 . 117.8165588 . B 87 ALA H B 87 ALA C B 87 ALA N
86 112 38259411.62 . 1665123.625 . 7.958034355 . 178.195019 . 118.0796556 . B 88 ILE H B 88 ILE C B 88 ILE N
87 113 38996041.5 . 1740340.875 . 8.677775032 . 178.3549038 . 119.6209578 . B 89 ILE H B 89 ILE C B 89 ILE N
88 114 30645360.81 . 1292490.625 . 8.83902107 . 175.5111305 . 107.5759294 . B 90 GLY H B 90 GLY C B 90 GLY N
143 176 35167683.12 . 1545136 . 8.554730706 . 178.3525216 . 119.8586878 . B 91 MET H B 91 MET C B 91 MET N
145 178 15658445.25 . 691709 . 8.280113485 . 178.2821046 . 119.541869 . B 93 LEU H B 93 LEU C B 93 LEU N
89 115 14120816.84 . 641059.125 . 8.637911978 . 178.6382456 . 120.3194983 . B 96 ALA H B 96 ALA C B 96 ALA N
90 116 17028899.25 . 742502.375 . 8.413166787 . 177.701713 . 119.1916308 . B 100 ILE H B 100 ILE C B 100 ILE N
144 177 32590556.69 . 1493580.625 . 8.431694687 . 177.7792261 . 119.5705089 . B 100 ILE H B 100 ILE C B 100 ILE N
91 118 46896076 . 2021076 . 8.11900558 . 176.463532 . 115.2779665 . B 102 ASN H B 102 ASN C B 102 ASN N
92 119 16204823.53 . 740025.625 . 8.486714777 . 178.2603351 . 114.7396953 . B 103 LEU H B 103 LEU C B 103 LEU N
93 121 27819936.19 . 1231628.75 . 10.06654847 . 177.032151 . 129.1980191 . B 106 ARG H B 106 ARG C B 106 ARG N
94 122 100961953.5 . 4577666.5 . 7.681667861 . 172.5819781 . 114.3571459 . B 108 THR H B 108 THR C B 108 THR N
95 123 733011116 . 34809576 . 7.761877361 . 178.7135522 . 123.9058338 . B 110 HIS H B 110 HIS C B 110 HIS N
;
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 . . . . . . 51025 4
2 . . C 13 C . . . ppm . . . . . . 51025 4
3 . . N 15 N . . . ppm . . . . . . 51025 4
stop_
save_