######################### # Spectral peak lists # ######################### 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 34759 _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 1 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _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 ; Methyl-Methyl NOEs for residues from 98 to 136; CNS restrained molecular dynamics protocol using a full Lenard-Jones potential and explicit water molecules: In brief, the explicit solvent refinement consisted of the five following steps: (i) immersion in a 7.0 A shell of water molecules and energy minimization; (ii) slow heating from 100 to 500 K in 100 K temperature steps with 200 MD steps per temperature step (time/step 3 fs), with harmonic position restraints on the protein heavy atoms that were slowly phased out during the heating stage; (iii) refinement at 500 K with 2,000 MD steps (time step 4 fs); (iv) slow cooling from 500 K to 25 K in 25 K temperature steps with 200 MD steps per temperature step (time step 4 fs); (v) final energy minimization (200 steps). Brunger, A. T. et al. Crystallography and NMR System: A New Software Suite for Macromolecular Structure Determination. Acta Cryst (1998). ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; data_CCP_assig_NOE_CH_288K_R46A_NewCC save_nef_nmr_meta_data _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode nef_nmr_meta_data _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name AnalysisAssign _nef_nmr_meta_data.program_version 3.1.0 _nef_nmr_meta_data.creation_date 2022-07-19T17:12:40.504648 _nef_nmr_meta_data.uuid AnalysisAssign-2022-07-19T17:12:40.504648-253228484 _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_program_script.program_name _nef_program_script.script_name _nef_program_script.script CcpNmr exportProject . stop_ save_ save_nef_molecular_system _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode nef_molecular_system save_ save_nef_nmr_spectrum_Expt_2-NOESY_R46A_300ms_288K`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_Expt_2-NOESY_R46A_300ms_288K`1` _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.ccpn_positive_contour_count 10 _nef_nmr_spectrum.ccpn_positive_contour_base 809291.5176 _nef_nmr_spectrum.ccpn_positive_contour_factor 1.414214 _nef_nmr_spectrum.ccpn_positive_contour_colour '#8A2BE2' _nef_nmr_spectrum.ccpn_negative_contour_count 10 _nef_nmr_spectrum.ccpn_negative_contour_base -809291.5176 _nef_nmr_spectrum.ccpn_negative_contour_factor 1.414214 _nef_nmr_spectrum.ccpn_negative_contour_colour '#808000' _nef_nmr_spectrum.ccpn_slice_colour '#8A2BE2' _nef_nmr_spectrum.ccpn_spectrum_scale 1 _nef_nmr_spectrum.ccpn_spinning_rate . _nef_nmr_spectrum.ccpn_spectrum_comment '' _nef_nmr_spectrum.ccpn_spectrum_file_path C:\Users\utilisateur\Documents\These\IBS\Attribution\CCP_assig_NOE_CH_288K_R46A\spectra2\Desktop\NOESY_R46A_300ms_288K.ft3 _nef_nmr_spectrum.ccpn_file_type NMRPipe _nef_nmr_spectrum.ccpn_file_scale_factor 1 _nef_nmr_spectrum.ccpn_sample . _nef_nmr_spectrum.ccpn_peaklist_serial 1 _nef_nmr_spectrum.ccpn_peaklist_comment 'Default list' _nef_nmr_spectrum.ccpn_peaklist_name . _nef_nmr_spectrum.ccpn_peaklist_is_simulated false _nef_nmr_spectrum.ccpn_peaklist_symbol_colour '#7A7A7A' _nef_nmr_spectrum.ccpn_peaklist_symbol_style cross _nef_nmr_spectrum.ccpn_peaklist_text_colour '#7A7A7A' loop_ _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 _nef_spectrum_dimension.ccpn_axis_code 1 ppm 1H 850.1339722 3.613277003 2.596461062 none true true H 2 ppm 13C 213.7689972 18.00595522 27.33797668 none true false C 3 ppm 13C 213.7689972 18.00595522 27.33797668 none true false C1 stop_ loop_ _ccpn_spectrum_dimension.dimension_id _ccpn_spectrum_dimension.point_count _ccpn_spectrum_dimension.reference_point _ccpn_spectrum_dimension.total_point_count _ccpn_spectrum_dimension.assignment_tolerance _ccpn_spectrum_dimension.lower_aliasing_limit _ccpn_spectrum_dimension.higher_aliasing_limit _ccpn_spectrum_dimension.measurement_type _ccpn_spectrum_dimension.phase_0 _ccpn_spectrum_dimension.phase_1 _ccpn_spectrum_dimension.window_function _ccpn_spectrum_dimension.lorentzian_broadening _ccpn_spectrum_dimension.gaussian_broadening _ccpn_spectrum_dimension.sine_window_shift 1 307 . . 0.03 -1.005046309 2.596461062 Shift . . . . . . 2 512 . . 0.4 9.367189345 27.33797668 Shift . . . . . . 3 512 . . 0.4 9.367189345 27.33797668 Shift . . . . . . stop_ loop_ _nef_spectrum_dimension_transfer.dimension_1 _nef_spectrum_dimension_transfer.dimension_2 _nef_spectrum_dimension_transfer.transfer_type _nef_spectrum_dimension_transfer.is_indirect stop_ loop_ _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 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 410 87201535.12 . 4915744.5 . 0.8338833774 . 16.96833465 . 21.84339942 . A 64 LEU HD2% A 130 MET CE A 64 LEU CD2 1 . ' 64LeuH 130MetC 64LeuC ' . 1 2 655 221418867.8 . 12674725 . 2.193757903 . 21.83638617 . 16.97 . A 130 MET HE% A 64 LEU CD2 A 130 MET CE 1 . ' 130MetH 64LeuC 130MetC ' . 1 3 656 240098471 . 13666308 . 2.19324609 . 21.75641542 . 16.97 . A 130 MET HE% A 65 THR CG2 A 130 MET CE 1 . ' 130MetH 65ThrC 130MetC ' . 1 4 386 94088578.88 . 5657597 . 1.184739394 . 16.96672382 . 21.73268972 . A 65 THR HG2% A 130 MET CE A 65 THR CG2 1 . ' 65ThrH 130MetC 65ThrC ' . 1 5 387 53111273.06 . 3335745.25 . 1.186565739 . 16.4718808 . 21.71812009 . A 65 THR HG2% A 121 ALA CB A 65 THR CG2 1 . ' 65ThrH 121AlaC 65ThrC ' . 1 6 194 54312085.88 . 3060671.5 . 1.325110983 . 21.73164266 . 16.47769808 . A 121 ALA HB% A 65 THR CG2 A 121 ALA CB 1 . ' 121AlaH 65ThrC 121AlaC ' . 1 7 385 26400575.38 . 1603709.75 . 1.188126118 . 18.6113738 . 21.73412075 . A 65 THR HG2% A 124 ALA CB A 65 THR CG2 1 . ' 65ThrH 124AlaC 65ThrC ' . 1 8 268 27765841.09 . 1820282.125 . 1.500502607 . 21.73074479 . 18.60431022 . A 124 ALA HB% A 65 THR CG2 A 124 ALA CB 1 . ' 124AlaH 65ThrC 124AlaC ' . 1 9 384 44283376.56 . 2683995.75 . 1.184560379 . 19.17000579 . 21.7233819 . A 65 THR HG2% A 126 ALA CB A 65 THR CG2 1 . ' 65ThrH 126AlaC 65ThrC ' . 1 10 304 46350475.38 . 2713241.5 . 1.242640254 . 21.74150452 . 19.16522541 . A 126 ALA HB% A 65 THR CG2 A 126 ALA CB 1 . ' 126AlaH 65ThrC 126AlaC ' . 1 11 296 33333237.38 . 1778515.5 . 1.330259369 . 22.07810097 . 19.33143655 . A 21 ALA HB% A 109 THR CG2 A 21 ALA CB 1 . ' 21AlaH 109ThrC 21AlaC ' . 1 12 407 25426182.83 . 1692806.875 . 1.430281159 . 19.30577838 . 22.04096741 . A 109 THR HG2% A 21 ALA CB A 109 THR CG2 1 . ' 109ThrH 21AlaC 109ThrC ' . 1 13 20 28900875.12 . 1612643.25 . 0.9030685262 . 22.09147143 . 11.56214122 . A 26 ILE HD1% A 109 THR CG2 A 26 ILE CD1 1 . ' 26IleH 109ThrC 26IleC ' . 1 14 409 118688533.5 . 6321249 . 1.432553192 . 11.55080691 . 22.0731996 . A 109 THR HG2% A 26 ILE CD1 A 109 THR CG2 1 . ' 109ThrH 26IleC 109ThrC ' . 1 15 19 104176138.2 . 5029387 . 0.9027944507 . 18.61457177 . 11.5494177 . A 26 ILE HD1% A 111 ALA CB A 26 ILE CD1 1 . ' 26IleH 111AlaC 26IleC ' . 1 16 270 117801221.9 . 6219202 . 1.400350629 . 11.55435142 . 18.62327103 . A 111 ALA HB% A 26 ILE CD1 A 111 ALA CB 1 . ' 111AlaH 26IleC 111AlaC ' . 1 17 217 905443496 . 53787368 . 2.030457341 . 23.83129873 . 16.58092711 . A 119 MET HE% A 115 THR CG2 A 119 MET CE 1 . ' 119MetH 115ThrC 119MetC ' . 1 18 533 602526200 . 31872360 . 1.077051626 . 16.58095758 . 23.83060091 . A 115 THR HG2% A 119 MET CE A 115 THR CG2 1 . ' 115ThrH 119MetC 115ThrC ' . 1 19 216 37401801.62 . 2486890 . 2.030504602 . 22.18915637 . 16.57072387 . A 119 MET HE% A 122 LEU CD2 A 119 MET CE 1 . ' 119MetH 122LeuC 119MetC ' . 1 20 661 70230762.75 . 3854110.75 . 0.4105361758 . 16.57456837 . 22.2 . A 122 LEU HD2% A 119 MET CE A 122 LEU CD2 1 . ' 122LeuH 119MetC 122LeuC ' . 1 21 195 69062412.5 . 3855850 . 1.325997519 . 22.1948823 . 16.47596564 . A 121 ALA HB% A 122 LEU CD2 A 121 ALA CB 1 . ' 121AlaH 122LeuC 121AlaC ' . 1 22 445 88265433.88 . 4862541 . 0.4092083231 . 16.49624887 . 22.20617825 . A 122 LEU HD2% A 121 ALA CB A 122 LEU CD2 1 . ' 122LeuH 121AlaC 122LeuC ' . 1 23 192 53137311.25 . 3043163.25 . 1.326584823 . 18.59960955 . 16.47226347 . A 121 ALA HB% A 124 ALA CB A 121 ALA CB 1 . ' 121AlaH 124AlaC 121AlaC ' . 1 24 266 53455711 . 3069891.75 . 1.500160653 . 16.49083504 . 18.60238583 . A 124 ALA HB% A 121 ALA CB A 124 ALA CB 1 . ' 124AlaH 121AlaC 124AlaC ' . 1 25 193 225449918 . 12178891 . 1.326424878 . 19.19275039 . 16.4769157 . A 121 ALA HB% A 126 ALA CB A 121 ALA CB 1 . ' 121AlaH 126AlaC 121AlaC ' . 1 26 301 214463670 . 11624080 . 1.243133333 . 16.47696269 . 19.1963503 . A 126 ALA HB% A 121 ALA CB A 126 ALA CB 1 . ' 126AlaH 121AlaC 126AlaC ' . 1 27 305 222209656 . 12021871 . 1.242134003 . 22.19930484 . 19.1876132 . A 126 ALA HB% A 122 LEU CD2 A 126 ALA CB 1 . ' 126AlaH 122LeuC 126AlaC ' . 1 28 443 230941351 . 12436445 . 0.409387756 . 19.18403684 . 22.19570659 . A 122 LEU HD2% A 126 ALA CB A 122 LEU CD2 1 . ' 122LeuH 126AlaC 122LeuC ' . 1 29 444 65829430.62 . 3616461 . 0.4097027972 . 16.96801857 . 22.20223262 . A 122 LEU HD2% A 130 MET CE A 122 LEU CD2 1 . ' 122LeuH 130MetC 122LeuC ' . 1 30 226 108804757.5 . 6327859 . 2.194518538 . 22.19717726 . 16.97259984 . A 130 MET HE% A 122 LEU CD2 A 130 MET CE 1 . ' 130MetH 122LeuC 130MetC ' . 1 31 235 45544250.25 . 2519349.5 . 0.5380430949 . 11.55638354 . 17.42927419 . A 136 VAL HG2% A 26 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 26IleC 136ValC ' . 1 32 18 47407052 . 2404252 . 0.9029389035 . 17.41584183 . 11.54628022 . A 26 ILE HD1% A 136 VAL CG2 A 26 ILE CD1 1 . ' 26IleH 136ValC 26IleC ' . 1 33 99 232531585.8 . 12173709 . 0.6464681111 . 26.30596145 . 14.48299595 . A 131 ILE HD1% A 29 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 29LeuC 131IleC ' . 1 34 624 188412905.5 . 9815331 . 0.8768596193 . 14.48654681 . 26.30619803 . A 29 LEU HD2% A 131 ILE CD1 A 29 LEU CD2 1 . ' 29LeuH 131IleC 29LeuC ' . 1 35 622 282667362 . 14446024 . 0.8764128316 . 17.42818914 . 26.30596431 . A 29 LEU HD2% A 136 VAL CG2 A 29 LEU CD2 1 . ' 29LeuH 136ValC 29LeuC ' . 1 36 245 352039170 . 18890266 . 0.5364823604 . 26.3048421 . 17.43239535 . A 136 VAL HG2% A 29 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 29LeuC 136ValC ' . 1 37 244 28744291.44 . 1421779 . 0.5371183644 . 24.55731198 . 17.38540381 . A 136 VAL HG2% A 32 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 32LeuC 136ValC ' . 1 38 550 27065303.5 . 1797184.75 . 0.7720268907 . 17.42494734 . 24.5948306 . A 32 LEU HD2% A 136 VAL CG2 A 32 LEU CD2 1 . ' 32LeuH 136ValC 32LeuC ' . 1 39 128 28116352.81 . 1685574.5 . 0.6892261372 . 17.46400427 . 15.03699515 . A 43 ILE HD1% A 136 VAL CG2 A 43 ILE CD1 1 . ' 43IleH 136ValC 43IleC ' . 1 40 238 23460917.44 . 1242700.25 . 0.5383329924 . 15.02322502 . 17.44720927 . A 136 VAL HG2% A 43 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 43IleC 136ValC ' . 1 41 456 17824581.31 . 1027236.625 . 0.9034644961 . 17.5832831 . 22.54159596 . A 48 LEU HD2% A 98 MET CE A 48 LEU CD2 1 . ' 48LeuH 98MetC 48LeuC ' . 1 42 653 61162735.25 . 3316228.5 . 1.725252595 . 22.57094453 . 17.58758807 . A 98 MET HE% A 48 LEU CD2 A 98 MET CE 1 . ' 98MetH 48LeuC 98MetC ' . 1 43 249 25154899.38 . 1408351.75 . 1.728912285 . 18.80808503 . 17.59528691 . A 98 MET HE% A 55 ALA CB A 98 MET CE 1 . ' 98MetH 55AlaC 98MetC ' . 1 44 150 40166394.62 . 2282880.75 . 0.8287594173 . 20.81374542 . 15.44560112 . A 96 ILE HD1% A 99 THR CG2 A 96 ILE CD1 1 . ' 96IleH 99ThrC 96IleC ' . 1 45 335 36333948.88 . 1965766.25 . 0.6459944801 . 15.45664645 . 20.79080492 . A 99 THR HG2% A 96 ILE CD1 A 99 THR CG2 1 . ' 99ThrH 96IleC 99ThrC ' . 1 46 251 166871640 . 9358479 . 1.725657963 . 20.81717598 . 17.58565295 . A 98 MET HE% A 186 VAL CG2 A 98 MET CE 1 . ' 98MetH 186ValC 98MetC ' . 1 47 345 110703828.5 . 5565534.5 . 1.070815831 . 17.58111283 . 20.80432893 . A 186 VAL HG2% A 98 MET CE A 186 VAL CG2 1 . ' 186ValH 98MetC 186ValC ' . 1 48 255 310624929 . 16850652 . 1.725694119 . 25.0773226 . 17.58406829 . A 98 MET HE% A 103 LEU CD2 A 98 MET CE 1 . ' 98MetH 103LeuC 98MetC ' . 1 49 570 284275719 . 14942516 . 0.7943918717 . 17.5832048 . 25.07500709 . A 103 LEU HD2% A 98 MET CE A 103 LEU CD2 1 . ' 103LeuH 98MetC 103LeuC ' . 1 50 367 213543356.8 . 10718612 . -0.8946185436 . 17.58687117 . 21.37830678 . A 107 LEU HD2% A 98 MET CE A 107 LEU CD2 1 . ' 107LeuH 98MetC 107LeuC ' . 1 51 252 245524613.5 . 13432818 . 1.725224293 . 21.37424029 . 17.58383526 . A 98 MET HE% A 107 LEU CD2 A 98 MET CE 1 . ' 98MetH 107LeuC 98MetC ' . 1 52 253 165705171 . 9040831 . 1.725391691 . 22.04016779 . 17.58301885 . A 98 MET HE% A 150 VAL CG2 A 98 MET CE 1 . ' 98MetH 150ValC 98MetC ' . 1 53 416 122649811.5 . 6085102 . 0.8127730761 . 17.58715458 . 22.03042403 . A 150 VAL HG2% A 98 MET CE A 150 VAL CG2 1 . ' 150ValH 98MetC 150ValC ' . 1 54 307 359784213 . 17875948 . 1.415416121 . 17.58262453 . 19.46247298 . A 152 THR HG2% A 98 MET CE A 152 THR CG2 1 . ' 152ThrH 98MetC 152ThrC ' . 1 55 250 398448390 . 21934416 . 1.725434207 . 19.46272259 . 17.58630311 . A 98 MET HE% A 152 THR CG2 A 98 MET CE 1 . ' 98MetH 152ThrC 98MetC ' . 1 56 248 55189269.75 . 3038143.5 . 1.724947118 . 16.56115055 . 17.58785823 . A 98 MET HE% A 180 MET CE A 98 MET CE 1 . ' 98MetH 180MetC 98MetC ' . 1 57 200 98216865.75 . 5744017 . 1.797540958 . 17.54899089 . 16.55670597 . A 180 MET HE% A 98 MET CE A 180 MET CE 1 . ' 180MetH 98MetC 180MetC ' . 1 58 254 465361416 . 25558070 . 1.725424789 . 22.87423156 . 17.58249703 . A 98 MET HE% A 184 THR CG2 A 98 MET CE 1 . ' 98MetH 184ThrC 98MetC ' . 1 59 469 365182948.5 . 18113540 . 1.014741797 . 17.58439345 . 22.8698655 . A 184 THR HG2% A 98 MET CE A 184 THR CG2 1 . ' 184ThrH 98MetC 184ThrC ' . 1 60 257 71043469.62 . 3941316 . 1.189101438 . 20.813869 . 17.77434303 . A 101 ALA HB% A 99 THR CG2 A 101 ALA CB 1 . ' 101AlaH 99ThrC 101AlaC ' . 1 61 336 80644125 . 4553047 . 0.6450091132 . 17.77070245 . 20.81741646 . A 99 THR HG2% A 101 ALA CB A 99 THR CG2 1 . ' 99ThrH 101AlaC 99ThrC ' . 1 62 256 79610735.5 . 4031656 . 1.190901405 . 14.90534943 . 17.77472803 . A 101 ALA HB% A 104 ILE CD1 A 101 ALA CB 1 . ' 101AlaH 104IleC 101AlaC ' . 1 63 142 84983900.75 . 4304844 . 0.5350078757 . 17.76015025 . 14.9086933 . A 104 ILE HD1% A 101 ALA CB A 104 ILE CD1 1 . ' 104IleH 101AlaC 104IleC ' . 1 64 147 63934503.12 . 3369574.5 . 0.5365480846 . 25.05859585 . 14.90966481 . A 104 ILE HD1% A 103 LEU CD2 A 104 ILE CD1 1 . ' 104IleH 103LeuC 104IleC ' . 1 65 571 65266315.88 . 3421494 . 0.7921624107 . 14.91297161 . 25.08730547 . A 103 LEU HD2% A 104 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 104IleC 103LeuC ' . 1 66 566 104136848.2 . 5434996 . 0.7933753879 . 21.36755124 . 25.0759981 . A 103 LEU HD2% A 107 LEU CD2 A 103 LEU CD2 1 . ' 103LeuH 107LeuC 103LeuC ' . 1 67 372 88992956.62 . 4583801.5 . -0.8955633206 . 25.07519783 . 21.3693392 . A 107 LEU HD2% A 103 LEU CD2 A 107 LEU CD2 1 . ' 107LeuH 103LeuC 107LeuC ' . 1 68 14 19763358.86 . 1312903.625 . 0.796826809 . 25.090361 . 11.55955914 . A 110 ILE HG1% A 103 LEU CD2 A 110 ILE CD1 1 . ' 110IleH 103LeuC 110IleC ' . 1 69 573 23749643.91 . 1244534.875 . 0.7919469988 . 11.52395045 . 25.10901967 . A 103 LEU HD2% A 110 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 110IleC 103LeuC ' . 1 70 567 60681385.5 . 3137112.5 . 0.793931698 . 22.03207109 . 25.05527319 . A 103 LEU HD2% A 150 VAL CG2 A 103 LEU CD2 1 . ' 103LeuH 150ValC 103LeuC ' . 1 71 421 40127603.62 . 2096813.5 . 0.813647773 . 25.06881181 . 22.02143956 . A 150 VAL HG2% A 103 LEU CD2 A 150 VAL CG2 1 . ' 150ValH 103LeuC 150ValC ' . 1 72 572 14031238.56 . 754036.25 . 0.7956626948 . 12.74398592 . 25.06139056 . A 103 LEU HD2% A 151 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 151IleC 103LeuC ' . 1 73 34 19956165.5 . 1390809 . 0.8900678877 . 25.0598264 . 12.75181303 . A 151 ILE HD1% A 103 LEU CD2 A 151 ILE CD1 1 . ' 151IleH 103LeuC 151IleC ' . 1 74 313 302937679.5 . 15187412 . 1.416315898 . 25.07833415 . 19.46361127 . A 152 THR HG2% A 103 LEU CD2 A 152 THR CG2 1 . ' 152ThrH 103LeuC 152ThrC ' . 1 75 569 337457588 . 17582068 . 0.7945190182 . 19.4672513 . 25.07654266 . A 103 LEU HD2% A 152 THR CG2 A 103 LEU CD2 1 . ' 103LeuH 152ThrC 103LeuC ' . 1 76 565 286438425.5 . 14627419 . 0.7941341344 . 23.05778814 . 25.07866639 . A 103 LEU HD2% A 172 VAL CG2 A 103 LEU CD2 1 . ' 103LeuH 172ValC 103LeuC ' . 1 77 483 241365748 . 13067764 . 1.2330481 . 25.07221711 . 23.056363 . A 172 VAL HG2% A 103 LEU CD2 A 172 VAL CG2 1 . ' 172ValH 103LeuC 172ValC ' . 1 78 145 95351722.75 . 4918494 . 0.5357858568 . 22.06374966 . 14.9112213 . A 104 ILE HD1% A 109 THR CG2 A 104 ILE CD1 1 . ' 104IleH 109ThrC 104IleC ' . 1 79 408 78927904.5 . 4221674.5 . 1.433112744 . 14.90951805 . 22.06238095 . A 109 THR HG2% A 104 ILE CD1 A 109 THR CG2 1 . ' 109ThrH 104IleC 109ThrC ' . 1 80 140 12585989.09 . 764009.4375 . 0.5351888194 . 11.53327876 . 14.89943685 . A 104 ILE HD1% A 110 ILE CD1 A 104 ILE CD1 1 . ' 104IleH 110IleC 104IleC ' . 1 81 8 15069086.8 . 1074650.25 . 0.7964352247 . 14.93536781 . 11.51117555 . A 110 ILE HG1% A 104 ILE CD1 A 110 ILE CD1 1 . ' 110IleH 104IleC 110IleC ' . 1 82 144 19208527.56 . 947744.25 . 0.5329659159 . 21.2771751 . 14.91499113 . A 104 ILE HD1% A 149 THR CG2 A 104 ILE CD1 1 . ' 104IleH 149ThrC 104IleC ' . 1 83 361 19150881.5 . 848372.5 . 1.478993618 . 14.91854122 . 21.2688256 . A 149 THR HG2% A 104 ILE CD1 A 149 THR CG2 1 . ' 149ThrH 104IleC 149ThrC ' . 1 84 146 472203887 . 24601740 . 0.5358753229 . 23.05725272 . 14.90935677 . A 104 ILE HD1% A 172 VAL CG2 A 104 ILE CD1 1 . ' 104IleH 172ValC 104IleC ' . 1 85 481 477490164 . 26650580 . 1.232640998 . 14.90866591 . 23.05660994 . A 172 VAL HG2% A 104 ILE CD1 A 172 VAL CG2 1 . ' 172ValH 104IleC 172ValC ' . 1 86 370 45684755.19 . 2260332 . -0.8927381343 . 22.56365721 . 21.36759749 . A 107 LEU HD2% A 48 LEU CD2 A 107 LEU CD2 1 . ' 107LeuH 48LeuC 107LeuC ' . 1 87 365 226977306 . 11303210 . -0.8943201974 . 22.03129195 . 21.37296606 . A 107 LEU HD2% A 150 VAL CG2 A 107 LEU CD2 1 . ' 107LeuH 150ValC 107LeuC ' . 1 88 658 185265021.2 . 9299450 . 0.8120842743 . 21.36851007 . 22.03778452 . A 150 VAL HG2% A 107 LEU CD2 A 150 VAL CG2 1 . ' 150ValH 107LeuC 150ValC ' . 1 89 659 31165917.5 . 1709730 . 1.417510114 . 21.38792374 . 19.49692565 . A 152 THR HG2% A 107 LEU CD2 A 152 THR CG2 1 . ' 152ThrH 107LeuC 152ThrC ' . 1 90 366 34413443.22 . 1946703.875 . -0.8962560209 . 19.46248371 . 21.39723016 . A 107 LEU HD2% A 152 THR CG2 A 107 LEU CD2 1 . ' 107LeuH 152ThrC 107LeuC ' . 1 91 371 72883569 . 3669275 . -0.8955370426 . 22.87092321 . 21.37430035 . A 107 LEU HD2% A 184 THR CG2 A 107 LEU CD2 1 . ' 107LeuH 184ThrC 107LeuC ' . 1 92 465 59046890.25 . 2883386 . 1.015262311 . 21.33624662 . 22.86031017 . A 184 THR HG2% A 107 LEU CD2 A 184 THR CG2 1 . ' 184ThrH 107LeuC 184ThrC ' . 1 93 406 66313107.38 . 3252018.5 . 1.4335663 . 23.0681951 . 22.05478314 . A 109 THR HG2% A 172 VAL CG2 A 109 THR CG2 1 . ' 109ThrH 172ValC 109ThrC ' . 1 94 475 50960610.56 . 2844645 . 1.232194293 . 22.06541481 . 23.05584465 . A 172 VAL HG2% A 109 THR CG2 A 172 VAL CG2 1 . ' 172ValH 109ThrC 172ValC ' . 1 95 10 30290624.38 . 1903367.75 . 0.79593161 . 18.61556747 . 11.53334508 . A 110 ILE HG1% A 111 ALA CB A 110 ILE CD1 1 . ' 110IleH 111AlaC 110IleC ' . 1 96 270 117801221.9 . 6219202 . 1.400350629 . 11.55435142 . 18.62327103 . A 111 ALA HB% A 110 ILE CD1 A 111 ALA CB 1 . ' 111AlaH 110IleC 111AlaC ' . 1 97 13 15274997.59 . 817691.125 . 0.7958916582 . 23.87027925 . 11.57340497 . A 110 ILE HG1% A 115 THR CG2 A 110 ILE CD1 1 . ' 110IleH 115ThrC 110IleC ' . 1 98 536 177967108.5 . 9144906 . 1.077022866 . 11.55494465 . 23.83077601 . A 115 THR HG2% A 110 ILE CD1 A 115 THR CG2 1 . ' 115ThrH 110IleC 115ThrC ' . 1 99 276 15535470.17 . 870624.6875 . 1.401491424 . 26.28415535 . 18.65160149 . A 111 ALA HB% A 29 LEU CD2 A 111 ALA CB 1 . ' 111AlaH 29LeuC 111AlaC ' . 1 100 652 15702879.02 . 998247.125 . 0.8764330364 . 18.59896009 . 26.29520865 . A 29 LEU HD2% A 111 ALA CB A 29 LEU CD2 1 . ' 29LeuH 111AlaC 29LeuC ' . 1 101 275 11946283.64 . 824779.75 . 1.397539586 . 22.06048598 . 18.66692579 . A 111 ALA HB% A 109 THR CG2 A 111 ALA CB 1 . ' 111AlaH 109ThrC 111AlaC ' . 1 102 274 81872872.25 . 4309924 . 1.400105702 . 23.82174717 . 18.61416983 . A 111 ALA HB% A 115 THR CG2 A 111 ALA CB 1 . ' 111AlaH 115ThrC 111AlaC ' . 1 103 531 89674209.25 . 4696117 . 1.077028858 . 18.61935039 . 23.8216904 . A 115 THR HG2% A 111 ALA CB A 115 THR CG2 1 . ' 115ThrH 111AlaC 115ThrC ' . 1 104 240 16706947.34 . 1129391.625 . 0.5363173527 . 18.60610092 . 17.4502932 . A 136 VAL HG2% A 111 ALA CB A 136 VAL CG2 1 . ' 136ValH 111AlaC 136ValC ' . 1 105 272 18715891.17 . 1229357.375 . 1.405924869 . 17.48045981 . 18.62148215 . A 111 ALA HB% A 136 VAL CG2 A 111 ALA CB 1 . ' 111AlaH 136ValC 111AlaC ' . 1 106 47 97727092.12 . 4994663 . 0.626385013 . 23.84479818 . 13.33345148 . A 128 ILE HD1% A 115 THR CG2 A 128 ILE CD1 1 . ' 128IleH 115ThrC 128IleC ' . 1 107 535 80534759.25 . 4183826.75 . 1.077215442 . 13.33995992 . 23.83151413 . A 115 THR HG2% A 128 ILE CD1 A 115 THR CG2 1 . ' 115ThrH 128IleC 115ThrC ' . 1 108 534 57325421.12 . 3048100.75 . 1.076283677 . 14.48056745 . 23.83848792 . A 115 THR HG2% A 131 ILE CD1 A 115 THR CG2 1 . ' 115ThrH 131IleC 115ThrC ' . 1 109 96 64709351.12 . 3326127 . 0.6459879275 . 23.82931492 . 14.47481193 . A 131 ILE HD1% A 115 THR CG2 A 131 ILE CD1 1 . ' 131IleH 115ThrC 131IleC ' . 1 110 265 39643888.62 . 2073709.5 . 1.653598942 . 16.48037625 . 17.95748839 . A 117 ALA HB% A 121 ALA CB A 117 ALA CB 1 . ' 117AlaH 121AlaC 117AlaC ' . 1 111 191 31347594.75 . 1768383.875 . 1.325206867 . 17.98119008 . 16.48482993 . A 121 ALA HB% A 117 ALA CB A 121 ALA CB 1 . ' 121AlaH 117AlaC 121AlaC ' . 1 112 41 83087718.62 . 4217029 . 0.6246727479 . 16.5716714 . 13.34552985 . A 128 ILE HD1% A 119 MET CE A 128 ILE CD1 1 . ' 128IleH 119MetC 128IleC ' . 1 113 211 98095866.62 . 5734806 . 2.029736312 . 13.33634581 . 16.57828149 . A 119 MET HE% A 128 ILE CD1 A 119 MET CE 1 . ' 119MetH 128IleC 119MetC ' . 1 114 190 202867058.5 . 10887520 . 1.326457839 . 16.96895484 . 16.47946294 . A 121 ALA HB% A 130 MET CE A 121 ALA CB 1 . ' 121AlaH 130MetC 121AlaC ' . 1 115 46 689877390 . 36615300 . 0.6280992826 . 22.19719725 . 13.35731678 . A 128 ILE HD1% A 122 LEU CD2 A 128 ILE CD1 1 . ' 128IleH 122LeuC 128IleC ' . 1 116 448 619091888 . 33857756 . 0.4088624542 . 13.35661785 . 22.19541657 . A 122 LEU HD2% A 128 ILE CD1 A 122 LEU CD2 1 . ' 122LeuH 128IleC 122LeuC ' . 1 117 303 49092463.44 . 2754123.5 . 1.245026997 . 18.59242521 . 19.2166728 . A 126 ALA HB% A 124 ALA CB A 126 ALA CB 1 . ' 126AlaH 124AlaC 126AlaC ' . 1 118 267 19542749.23 . 1253117.375 . 1.50001387 . 16.95607899 . 18.60636678 . A 124 ALA HB% A 130 MET CE A 124 ALA CB 1 . ' 124AlaH 130MetC 124AlaC ' . 1 119 222 44092758.88 . 2812206.75 . 2.198038123 . 18.58766818 . 16.97204726 . A 130 MET HE% A 124 ALA CB A 130 MET CE 1 . ' 130MetH 124AlaC 130MetC ' . 1 120 44 35668887.12 . 2034950.625 . 0.6280519066 . 19.1889312 . 13.35357585 . A 128 ILE HD1% A 126 ALA CB A 128 ILE CD1 1 . ' 128IleH 126AlaC 128IleC ' . 1 121 299 37767263.5 . 2153465.5 . 1.241920177 . 13.35023587 . 19.16154957 . A 126 ALA HB% A 128 ILE CD1 A 126 ALA CB 1 . ' 126AlaH 128IleC 126AlaC ' . 1 122 302 245984392.5 . 13485724 . 1.242107298 . 16.97162725 . 19.18582322 . A 126 ALA HB% A 130 MET CE A 126 ALA CB 1 . ' 126AlaH 130MetC 126AlaC ' . 1 123 223 414124322 . 24617312 . 2.194525379 . 19.18597283 . 16.9725658 . A 130 MET HE% A 126 ALA CB A 130 MET CE 1 . ' 130MetH 126AlaC 130MetC ' . 1 124 220 24548199.3 . 1698057.625 . 2.194260306 . 13.33935741 . 16.94691703 . A 130 MET HE% A 128 ILE CD1 A 130 MET CE 1 . ' 130MetH 128IleC 130MetC ' . 1 125 42 58524130.25 . 3123850.25 . 0.6241479955 . 16.88839491 . 13.3377703 . A 128 ILE HD1% A 130 MET CE A 128 ILE CD1 1 . ' 128IleH 130MetC 128IleC ' . 1 126 39 1098191484 . 55354264 . 0.6257920015 . 14.48549151 . 13.34161351 . A 33 ILE HD1% A 131 ILE CD1 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (128Ile/33Ile)C ' . 1 127 39 1098191484 . 55354264 . 0.6257920015 . 14.48549151 . 13.34161351 . A 33 ILE HD1% A 131 ILE CD1 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (128Ile/33Ile)C ' . 1 128 39 1098191484 . 55354264 . 0.6257920015 . 14.48549151 . 13.34161351 . A 128 ILE HD1% A 131 ILE CD1 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (128Ile/33Ile)C ' . 1 129 39 1098191484 . 55354264 . 0.6257920015 . 14.48549151 . 13.34161351 . A 128 ILE HD1% A 131 ILE CD1 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (128Ile/33Ile)C ' . 1 130 89 1103511444 . 57380032 . 0.6462300679 . 13.33895735 . 14.48369323 . A 131 ILE HD1% A 33 ILE CD1 A 131 ILE CD1 1 . ' 131IleH (33Ile/128Ile)C 131IleC ' . 1 131 89 1103511444 . 57380032 . 0.6462300679 . 13.33895735 . 14.48369323 . A 131 ILE HD1% A 128 ILE CD1 A 131 ILE CD1 1 . ' 131IleH (33Ile/128Ile)C 131IleC ' . 1 132 90 156367159.8 . 7488415.5 . 0.6493276321 . 15.02806357 . 14.49914605 . A 131 ILE HD1% A 43 ILE CD1 A 131 ILE CD1 1 . ' 131IleH 43IleC 131IleC ' . 1 133 237 298916719 . 16165618 . 0.5361747126 . 14.48376489 . 17.42955361 . A 136 VAL HG2% A 131 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 131IleC 136ValC ' . 1 134 92 301593888.5 . 15589972 . 0.6460119211 . 17.42768534 . 14.4846375 . A 131 ILE HD1% A 136 VAL CG2 A 131 ILE CD1 1 . ' 131IleH 136ValC 131IleC ' . 1 135 97 88175857.5 . 4751867 . 0.6465639295 . 24.26918008 . 14.47466067 . A 131 ILE HD1% A 143 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 143LeuC 131IleC ' . 1 136 540 80579903.88 . 4762271 . 1.031260603 . 14.48905077 . 24.2692945 . A 143 LEU HD2% A 131 ILE CD1 A 143 LEU CD2 1 . ' 143LeuH 131IleC 143LeuC ' . 1 137 43 212460215 . 10883460 . 0.6243526299 . 17.42900722 . 13.33325244 . A 33 ILE HD1% A 136 VAL CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 136ValC (128Ile/33Ile)C ' . 1 138 43 212460215 . 10883460 . 0.6243526299 . 17.42900722 . 13.33325244 . A 33 ILE HD1% A 136 VAL CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 136ValC (128Ile/33Ile)C ' . 1 139 43 212460215 . 10883460 . 0.6243526299 . 17.42900722 . 13.33325244 . A 128 ILE HD1% A 136 VAL CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 136ValC (128Ile/33Ile)C ' . 1 140 43 212460215 . 10883460 . 0.6243526299 . 17.42900722 . 13.33325244 . A 128 ILE HD1% A 136 VAL CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 136ValC (128Ile/33Ile)C ' . 1 141 236 232992647 . 12445022 . 0.5363517034 . 13.33571806 . 17.42858202 . A 136 VAL HG2% A 33 ILE CD1 A 136 VAL CG2 1 . ' 136ValH (33Ile/128Ile)C 136ValC ' . 1 142 236 232992647 . 12445022 . 0.5363517034 . 13.33571806 . 17.42858202 . A 136 VAL HG2% A 128 ILE CD1 A 136 VAL CG2 1 . ' 136ValH (33Ile/128Ile)C 136ValC ' . 1 143 243 20509328.06 . 1240025.5 . 0.5374877029 . 24.25361782 . 17.45171351 . A 136 VAL HG2% A 143 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 143LeuC 136ValC ' . 1 144 663 12858866.79 . 749505.25 . 1.030341339 . 17.44618542 . 24.21069215 . A 143 LEU HD2% A 136 VAL CG2 A 143 LEU CD2 1 . ' 143LeuH 136ValC 143LeuC ' . 1 145 27 19119852.03 . 1205022.875 . 0.8887982364 . 17.59849862 . 12.72841182 . A 151 ILE HD1% A 98 MET CE A 151 ILE CD1 1 . ' 151IleH 98MetC 151IleC ' . 1 146 480 47158195.25 . 2496680.5 . 1.232638338 . 17.59647286 . 23.06426573 . A 172 VAL HG2% A 98 MET CE A 172 VAL CG2 1 . ' 172ValH 98MetC 172ValC ' . 1 147 208 23252712.66 . 1420045.75 . 1.79794343 . 25.07521118 . 16.55279724 . A 180 MET HE% A 103 LEU CD2 A 180 MET CE 1 . ' 180MetH 103LeuC 180MetC ' . 1 148 473 42799668.81 . 2118645.5 . 1.014761909 . 25.06387053 . 22.84558836 . A 184 THR HG2% A 103 LEU CD2 A 184 THR CG2 1 . ' 184ThrH 103LeuC 184ThrC ' . 1 149 9 25640200.59 . 1647203.75 . 0.7966775414 . 17.55179854 . 11.527844 . A 110 ILE HG1% A 98 MET CE A 110 ILE CD1 1 . ' 110IleH 98MetC 110IleC ' . 1 150 246 21464144 . 1067435.375 . 1.724618929 . 11.55450222 . 17.5843018 . A 98 MET HE% A 110 ILE CD1 A 98 MET CE 1 . ' 98MetH 110IleC 98MetC ' . 1 151 568 29286412.19 . 1766467.75 . 0.793931392 . 20.77887524 . 25.06226278 . A 103 LEU HD2% A 19 THR CG2 A 103 LEU CD2 1 . ' 103LeuH (99Thr/19Thr)C 103LeuC ' . 1 152 568 29286412.19 . 1766467.75 . 0.793931392 . 20.77887524 . 25.06226278 . A 103 LEU HD2% A 99 THR CG2 A 103 LEU CD2 1 . ' 103LeuH (99Thr/19Thr)C 103LeuC ' . 1 153 143 20301851.97 . 998743.5 . 0.5318459685 . 20.77208467 . 14.91171015 . A 104 ILE HD1% A 19 THR CG2 A 104 ILE CD1 1 . ' 104IleH 19ThrC 104IleC ' . 1 154 657 11941040.23 . 793784.75 . 0.9219091817 . 14.90385668 . 20.81853132 . A 19 THR HG2% A 104 ILE CD1 A 19 THR CG2 1 . ' 19ThrH 104IleC 19ThrC ' . 1 155 409 118688533.5 . 6321249 . 1.432553192 . 11.55080691 . 22.0731996 . A 109 THR HG2% A 110 ILE CD1 A 109 THR CG2 1 . ' 109ThrH 110IleC 109ThrC ' . 1 156 11 154989433.5 . 9076774 . 0.7965249505 . 22.067402 . 11.55257877 . A 110 ILE HG1% A 109 THR CG2 A 110 ILE CD1 1 . ' 110IleH 109ThrC 110IleC ' . 1 157 81 37607219.94 . 1981344.125 . 0.8637445782 . 20.79427492 . 14.32330039 . A 187 ILE HD1% A 99 THR CG2 A 59 ILE CD1 1 . ' (59Ile/187Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 158 81 37607219.94 . 1981344.125 . 0.8637445782 . 20.79427492 . 14.32330039 . A 187 ILE HD1% A 99 THR CG2 A 187 ILE CD1 1 . ' (59Ile/187Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 159 81 37607219.94 . 1981344.125 . 0.8637445782 . 20.79427492 . 14.32330039 . A 187 ILE HD1% A 186 VAL CG2 A 59 ILE CD1 1 . ' (59Ile/187Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 160 81 37607219.94 . 1981344.125 . 0.8637445782 . 20.79427492 . 14.32330039 . A 187 ILE HD1% A 186 VAL CG2 A 187 ILE CD1 1 . ' (59Ile/187Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 161 669 15536411.92 . 645646.625 . 0.6486068084 . 14.31435879 . 20.81 . A 99 THR HG2% A 59 ILE CD1 A 99 THR CG2 1 . ' 99ThrH 59IleC 99ThrC ' . 1 162 342 21065859.17 . 1174538.75 . 1.0722457 . 14.34362014 . 20.81480939 . A 186 VAL HG2% A 187 ILE CD1 A 186 VAL CG2 1 . ' 186ValH 187IleC 186ValC ' . 1 163 664 125948301.2 . 6083532 . -0.8904072643 . 20.86337877 . 21.37852689 . A 107 LEU HD2% A 99 THR CG2 A 107 LEU CD2 1 . ' 107LeuH (186Val/99Thr)C 107LeuC ' . 1 164 664 125948301.2 . 6083532 . -0.8904072643 . 20.86337877 . 21.37852689 . A 107 LEU HD2% A 186 VAL CG2 A 107 LEU CD2 1 . ' 107LeuH (186Val/99Thr)C 107LeuC ' . 1 165 665 120449659.8 . 5138787.5 . 1.078196079 . 21.27655331 . 20.80319365 . A 186 VAL HG2% A 107 LEU CD2 A 186 VAL CG2 1 . ' 186ValH 107LeuC 186ValC ' . 1 stop_ loop_ _ccpn_spectrum_reference_substances.serial _ccpn_spectrum_reference_substances.name _ccpn_spectrum_reference_substances.labelling stop_ save_ ; 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-methyl . folded 10245.902 Hz . . . 4.868 . . 34759 1 2 . . C 13 C-methyl . folded 3849.115 Hz . . . 18.335 . . 34759 1 3 . . C 13 C-methyl . folded 3849.115 Hz . . . 18.335 . . 34759 1 stop_ save_