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 53717
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name 'Assigned peak list'
_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 '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
;
Number # Position F1 Position F2 Assign F1 Assign F2 Height Volume Line Width F1 (Hz) Line Width F2 (Hz) Merit Details Fit Method Vol. Method
1 31 8.72868 110.43641 4GlyH 4GlyN 2.13973e+07 1.17900e+08 28.70116 19.26455 1.00000 None parabolic box sum
2 45 7.36745 118.98430 5MetH 5MetN 7.67662e+07 4.24231e+08 22.19509 20.43085 1.00000 None parabolic box sum
3 46 8.70593 114.94865 6ThrH 6ThrN 6.07102e+07 3.25822e+08 25.84893 18.49650 1.00000 None parabolic box sum
4 62 8.96212 117.88595 7SerH 7SerN 2.48570e+07 1.42899e+08 29.10063 20.87101 1.00000 None parabolic box sum
5 63 10.02628 119.47105 8SerH 8SerN 3.17003e+07 1.64213e+08 25.95859 18.00587 1.00000 None parabolic box sum
6 64 8.27476 122.65162 9GlnH 9GlnN 7.20705e+07 3.65669e+08 24.44020 17.21743 1.00000 None parabolic box sum
7 47 8.41248 120.58510 10TrpH 10TrpN 6.05586e+07 4.40949e+08 30.39722 37.87467 1.00000 None parabolic box sum
8 245 10.06619 129.76198 10TrpHe1 10TrpNe1 4.12140e+07 2.10054e+08 23.03204 18.29145 1.00000 None parabolic box sum
9 48 8.42499 120.81199 11PheH 11PheN 6.18016e+07 3.55159e+08 24.49178 37.07073 1.00000 None parabolic box sum
10 49 8.10972 118.82312 12LysH 12LysN 6.10829e+07 3.18080e+08 24.82190 18.45550 1.00000 None parabolic box sum
11 50 7.89985 119.06081 13IleH 13IleN 5.73479e+07 3.03302e+08 24.10473 18.99288 1.00000 None parabolic box sum
12 51 7.49941 114.15346 14GlnH 14GlnN 6.36165e+07 3.36299e+08 25.78474 18.49846 1.00000 None parabolic box sum
13 52 7.48404 105.72989 15HisH 15HisN 3.95937e+07 2.32357e+08 28.62284 20.12189 1.00000 None parabolic box sum
14 65 8.16953 116.91759 16MetH 16MetN 5.13388e+07 2.88358e+08 27.95725 19.58065 1.00000 None parabolic box sum
15 67 8.55839 124.56294 17GlnH 17GlnN 6.18781e+07 3.35118e+08 26.70441 19.04334 1.00000 None parabolic box sum
16 92 7.51319 110.46813 19SerH 19SerN 1.00651e+08 5.52650e+08 24.32825 19.75210 1.00000 None parabolic box sum
17 3 7.37054 122.30364 21GlnH 21GlnN 8.06787e+07 4.17218e+08 28.18077 17.25780 1.00000 None parabolic box sum
18 2 8.48881 125.41661 22AlaH 22AlaN 9.69441e+07 5.36151e+08 22.34257 20.05012 1.00000 None parabolic box sum
19 4 9.42830 121.20386 23CysH 23CysN 4.86066e+07 2.70151e+08 25.40648 19.57729 1.00000 None parabolic box sum
20 5 9.18523 115.87206 24AsnH 24AsnN 4.89991e+07 2.54279e+08 23.23416 18.46720 1.00000 None parabolic box sum
21 6 7.09387 111.86226 25SerH 25SerN 7.02035e+07 3.76568e+08 23.68253 19.10264 1.00000 None parabolic box sum
22 24 8.43282 125.15410 26AlaH 26AlaN 7.71331e+07 3.88544e+08 24.93461 16.82801 1.00000 None parabolic box sum
23 25 8.71490 112.24562 27MetH 27MetN 5.35557e+07 2.82210e+08 23.46436 18.74490 1.00000 None parabolic box sum
24 26 7.34255 120.17495 28LysH 28LysN 9.02244e+07 4.70716e+08 23.97979 18.57325 1.00000 None parabolic box sum
25 27 7.40419 114.03464 29AsnH 29AsnN 9.46571e+07 5.15546e+08 45.23267 18.32562 1.00000 None parabolic box sum
26 28 7.07318 117.59457 30IleH 30IleN 4.54378e+07 2.56463e+08 27.56447 19.76962 1.00000 None parabolic box sum
27 30 8.47529 116.35335 31AsnH 31AsnN 4.60740e+07 2.65683e+08 27.41432 20.96507 1.00000 None parabolic box sum
28 107 7.53027 119.36612 32LysH 32LysN 5.19068e+07 2.90669e+08 26.34258 20.22920 1.00000 None parabolic box sum
29 232 7.73915 115.73542 33HisH 33HisN 3.30336e+07 2.35158e+08 32.41385 44.16098 1.00000 None None box sum
30 72 8.98910 128.37835 39AspH 39AspN 4.01831e+07 2.42997e+08 23.84205 22.67349 1.00000 None parabolic box sum
31 71 7.74398 119.14339 40LeuH 40LeuN 8.91932e+07 4.62643e+08 24.77070 17.44851 1.00000 None parabolic box sum
32 240 8.58536 120.63013 41AsnH 41AsnN 9.51934e+07 5.58486e+08 40.76041 18.02711 1.00000 None None box sum
33 69 7.55512 122.46512 42ThrH 42ThrN 3.51467e+07 2.04736e+08 37.64606 19.71866 1.00000 None parabolic box sum
34 68 9.34424 124.74660 43PheH 43PheN 5.04554e+07 3.16001e+08 55.93342 21.52026 1.00000 None parabolic box sum
35 74 9.27039 120.52704 44LeuH 44LeuN 5.20165e+07 2.79920e+08 26.62455 18.80013 1.00000 None parabolic box sum
36 75 8.63616 124.34185 45HisH 45HisN 6.06242e+07 3.59398e+08 31.55646 21.38800 1.00000 None parabolic box sum
37 76 6.92328 120.65792 46GluH 46GluN 6.96421e+07 3.76424e+08 25.54632 19.09220 1.00000 None parabolic box sum
38 91 9.38308 124.64602 48PheH 48PheN 3.97321e+07 2.44474e+08 60.85328 21.55664 1.00000 None parabolic box sum
39 90 8.93375 111.34040 49SerH 49SerN 8.33439e+07 4.09093e+08 20.51087 17.83233 1.00000 None parabolic box sum
40 77 7.20339 118.18723 50SerH 50SerN 7.40858e+07 4.22612e+08 23.36578 20.27258 1.00000 None parabolic box sum
41 61 7.25479 123.45979 51ValH 51ValN 9.57231e+07 4.78721e+08 24.33283 16.99566 1.00000 None parabolic box sum
42 60 8.23868 119.69011 52AlaH 52AlaN 9.44378e+07 4.87652e+08 23.86593 18.31076 1.00000 None parabolic box sum
43 55 7.25857 120.30995 53AlaH 53AlaN 1.14227e+08 5.90581e+08 21.83020 19.02344 1.00000 None parabolic box sum
44 56 7.72690 119.69158 54ThrH 54ThrN 1.08617e+08 5.95817e+08 22.08811 20.36945 1.00000 None parabolic box sum
45 57 7.34627 115.37480 55CysH 55CysN 9.39916e+07 4.94676e+08 21.03203 19.49010 1.00000 None parabolic box sum
46 58 7.37825 113.95827 56GlnH 56GlnN 1.12724e+08 6.18800e+08 36.56898 18.99568 1.00000 None parabolic box sum
47 59 7.59047 112.38669 57ThrH 57ThrN 9.30289e+07 5.08898e+08 25.71176 19.35356 1.00000 None parabolic box sum
48 142 8.46054 122.57040 59LysH 59LysN 1.17593e+07 6.12470e+07 19.24389 20.71296 1.00000 None parabolic box sum
49 38 8.50292 118.89983 60IleH 60IleN 6.00117e+07 3.25485e+08 26.43504 19.14547 1.00000 None parabolic box sum
50 37 8.18560 120.87346 61AlaH 61AlaN 9.77070e+07 5.07707e+08 23.47353 18.83581 1.00000 None parabolic box sum
51 36 9.07091 120.62943 62CysH 62CysN 6.99501e+07 3.50879e+08 24.49197 17.23116 1.00000 None parabolic box sum
52 35 11.13685 128.70941 63LysH 63LysN 5.25072e+07 2.95666e+08 24.68282 20.23418 1.00000 None parabolic box sum
53 34 8.11370 114.19174 64AsnH 64AsnN 8.41459e+07 4.45828e+08 23.61567 19.04068 1.00000 None parabolic box sum
54 33 7.97779 108.52541 65GlyH 65GlyN 6.87750e+07 3.55606e+08 24.16777 18.31118 1.00000 None parabolic box sum
55 43 8.04970 121.42925 66AspH 66AspN 9.94084e+07 5.02783e+08 21.96278 18.32948 1.00000 None parabolic box sum
56 44 8.78414 122.25000 67LysH 67LysN 5.11847e+07 2.90386e+08 24.40352 20.48398 1.00000 None parabolic box sum
57 14 7.74676 115.97854 68AsnH 68AsnN 7.28181e+07 4.02982e+08 26.37314 19.19586 1.00000 None parabolic box sum
58 13 7.72703 117.25840 69CysH 69CysN 6.89840e+07 3.77693e+08 25.93146 19.27142 1.00000 None parabolic box sum
59 12 8.31419 116.09423 70HisH 70HisN 5.90423e+07 3.01645e+08 28.07952 16.60084 1.00000 None parabolic box sum
60 11 9.24457 126.69117 71GlnH 71GlnN 5.37994e+07 3.07715e+08 26.64786 19.88071 1.00000 None parabolic box sum
61 10 8.62586 121.51184 72SerH 72SerN 7.03481e+07 3.64723e+08 24.43179 18.21201 1.00000 None parabolic box sum
62 9 9.22706 121.55331 73HisH 73HisN 5.15115e+07 2.73049e+08 24.93022 18.92805 1.00000 None parabolic box sum
63 8 7.60266 105.26148 74GlyH 74GlyN 1.14638e+08 5.88870e+08 19.95304 19.18983 1.00000 None parabolic box sum
64 42 8.34524 123.10801 75AlaH 75AlaN 1.37929e+08 6.54100e+08 21.12144 16.18227 1.00000 None parabolic box sum
65 41 8.46355 115.72887 76ValH 76ValN 1.00089e+08 5.30507e+08 25.90471 18.21908 1.00000 None parabolic box sum
66 39 8.52063 114.72256 77SerH 77SerN 9.77073e+07 4.84442e+08 23.41011 16.63028 1.00000 None parabolic box sum
67 23 9.16374 124.40235 78LeuH 78LeuN 7.07345e+07 4.00195e+08 25.45252 20.37246 1.00000 None parabolic box sum
68 22 8.93938 118.22281 79ThrH 79ThrN 6.29911e+07 3.37058e+08 27.74634 18.46973 1.00000 None parabolic box sum
69 21 9.10690 125.35857 80MetH 80MetN 5.95024e+07 3.16062e+08 28.45052 17.87606 1.00000 None parabolic box sum
70 20 9.00746 122.92554 81CysH 81CysN 4.88936e+07 2.86754e+08 26.78274 20.61399 1.00000 None parabolic box sum
71 19 9.01311 125.84171 82LysH 82LysN 5.27740e+07 2.71140e+08 27.39139 17.17698 1.00000 None parabolic box sum
72 18 9.28274 132.19696 83LeuH 83LeuN 5.46506e+07 2.95069e+08 26.60449 19.10216 1.00000 None parabolic box sum
73 17 9.43400 119.93109 84ThrH 84ThrN 4.64849e+07 2.49545e+08 30.60450 17.82896 1.00000 None parabolic box sum
74 16 7.59049 114.44388 85SerH 85SerN 8.83476e+07 5.04029e+08 23.16099 20.27230 1.00000 None parabolic box sum
75 15 8.27638 106.49748 86GlyH 86GlyN 6.61782e+07 3.66546e+08 23.99851 19.85723 1.00000 None parabolic box sum
76 73 8.32518 121.83683 90AsnH 90AsnN 1.06694e+08 5.55494e+08 21.90891 18.98384 1.00000 None parabolic box sum
77 106 7.38101 116.45048 91CysH 91CysN 4.51331e+07 2.47118e+08 30.04647 18.75906 1.00000 None parabolic box sum
78 105 8.52344 125.15266 92ArgH 92ArgN 3.58996e+07 2.13962e+08 32.02451 22.20616 1.00000 None parabolic box sum
79 104 9.55193 120.59012 93TyrH 93TyrN 4.79945e+07 2.74581e+08 27.11400 19.82730 1.00000 None parabolic box sum
80 100 9.42934 122.26156 94LysH 94LysN 4.86524e+07 2.98098e+08 28.23827 20.81235 1.00000 None parabolic box sum
81 54 8.69692 125.04990 95GluH 95GluN 7.31511e+07 3.96621e+08 23.13845 20.20256 1.00000 None parabolic box sum
82 101 8.66135 124.21073 96LysH 96LysN 6.79045e+07 4.41549e+08 40.35005 22.13109 1.00000 None parabolic box sum
83 102 9.09632 129.66203 97ArgH 97ArgN 6.77792e+07 3.54603e+08 22.75713 18.77413 1.00000 None parabolic box sum
84 103 9.08729 122.58910 98GlnH 98GlnN 6.79878e+07 3.84220e+08 25.79849 20.12329 1.00000 None parabolic box sum
85 109 8.60300 120.59291 99AsnH 99AsnN 1.31063e+08 7.32117e+08 33.33810 18.79579 1.00000 None parabolic box sum
86 108 8.79610 122.76236 100LysH 100LysN 7.94968e+07 4.06643e+08 26.38040 16.97590 1.00000 None parabolic box sum
87 78 8.74640 117.29623 101SerH 101SerN 8.25104e+07 4.90007e+08 25.48404 20.46729 1.00000 None parabolic box sum
88 84 7.84096 114.60269 102TyrH 102TyrN 7.72782e+07 4.06022e+08 27.26912 17.71430 1.00000 None parabolic box sum
89 87 8.57980 118.66620 103ValH 103ValN 6.39620e+07 3.49857e+08 29.56543 18.72457 1.00000 None parabolic box sum
90 86 8.77211 117.51924 104ValH 104ValN 5.59044e+07 3.36164e+08 30.48224 21.49580 1.00000 None parabolic box sum
91 85 8.75677 124.40560 105AlaH 105AlaN 4.88647e+07 2.88968e+08 28.70957 20.72824 1.00000 None parabolic box sum
92 88 8.62023 117.56249 106CysH 106CysN 6.25369e+07 3.20825e+08 27.35586 16.47594 1.00000 None parabolic box sum
93 89 8.90740 122.77120 107LysH 107LysN 7.06828e+07 3.58974e+08 25.34363 16.78995 1.00000 None parabolic box sum
94 96 9.53804 120.90388 110GlnH 110GlnN 4.73422e+07 2.79992e+08 28.70002 21.08486 1.00000 None parabolic box sum
95 95 8.67531 121.98957 111LysH 111LysN 5.79371e+07 2.98530e+08 23.66495 18.63290 1.00000 None parabolic box sum
96 94 7.90047 112.95790 112LysH 112LysN 6.54451e+07 3.61615e+08 22.65244 20.18609 1.00000 None parabolic box sum
97 93 7.54079 118.66493 113AspH 113AspN 9.69974e+07 5.09762e+08 22.98982 18.75177 1.00000 None parabolic box sum
98 79 8.38559 113.81560 114SerH 114SerN 8.18703e+07 3.92139e+08 21.80575 16.41819 1.00000 None parabolic box sum
99 80 8.67534 122.39399 115GlnH 115GlnN 6.71053e+07 3.73423e+08 24.77757 19.90875 1.00000 None parabolic box sum
100 82 8.00101 119.70917 116GlnH 116GlnN 1.09731e+08 5.26352e+08 21.46111 16.47945 1.00000 None parabolic box sum
101 83 7.80228 115.40249 117PheH 117PheN 8.90891e+07 4.54503e+08 26.03462 16.61178 1.00000 None parabolic box sum
102 166 9.02593 120.13077 118HisH 118HisN 9.80084e+06 6.04962e+07 30.43027 23.25387 1.00000 None parabolic box sum
103 173 7.17406 115.46649 119LeuH 119LeuN 8.87644e+07 5.01836e+08 23.51136 20.01760 1.00000 None parabolic box sum
104 98 9.07902 111.95523 120ValH 120ValN 6.69775e+07 3.93403e+08 27.26664 20.23726 1.00000 None parabolic box sum
105 120 8.81381 109.85783 122ValH 122ValN 4.14075e+07 2.30041e+08 32.86069 17.87312 1.00000 None parabolic box sum
106 117 7.34017 118.56815 123HisH 123HisN 5.96667e+07 3.35779e+08 25.73354 20.44529 1.00000 None parabolic box sum
107 159 9.13993 130.67085 124LeuH 124LeuN 5.22423e+06 3.57293e+07 40.47079 26.45579 1.00000 None parabolic box sum
108 113 8.78993 130.02099 125AspH 125AspN 4.75492e+07 2.57481e+08 27.97636 18.40686 1.00000 None parabolic box sum
109 112 7.43809 108.71107 126ArgH 126ArgN 7.11197e+07 3.50388e+08 23.53505 17.07003 1.00000 None parabolic box sum
110 111 8.18939 118.55234 127ValH 127ValN 8.48187e+07 4.67643e+08 24.68205 19.95697 1.00000 None parabolic box sum
111 110 8.20599 131.24082 128LeuH 128LeuN 8.30729e+07 4.47867e+08 24.32939 19.22542 1.00000 None parabolic box sum
;
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 1H . folded 12 ppm . . . . . . 53717 1
2 . . N 15 15N . folded 30 ppm . . . . . . 53717 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_1 . . 53717 1
stop_
save_