######################### # 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 34758 _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 the 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_R60A_400ms 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 2022-07-20T09:43:34.891680 _nef_nmr_meta_data.uuid AnalysisAssign-2022-07-20T09:43:34.891680-1222356005 _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_R60A_11`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_Expt_2-NOESY_R60A_11`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 10000 _nef_nmr_spectrum.ccpn_positive_contour_factor 1.41421356 _nef_nmr_spectrum.ccpn_positive_contour_colour . _nef_nmr_spectrum.ccpn_negative_contour_count 10 _nef_nmr_spectrum.ccpn_negative_contour_base -10000 _nef_nmr_spectrum.ccpn_negative_contour_factor 1.41421356 _nef_nmr_spectrum.ccpn_negative_contour_colour . _nef_nmr_spectrum.ccpn_slice_colour . _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_R60A_400ms\spectra1\R60A_400ms\NOESY_R60A_11.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 3.607392131 2.600424148 none true true H 2 ppm 13C 213.7689972 18.00595522 27.28897702 none true false C 3 ppm 13C 213.7689972 18.00595522 27.28897702 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 1 613 . . 0.03 -1.001083167 2.600424148 Shift . . . . . . 2 512 . . 0.4 9.31818968 27.28897702 Shift . . . . . . 3 512 . . 0.4 9.31818968 27.28897702 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 33 40684152.5 . 1798990.5 . 1.341064998 . 22.06030502 . 19.2920195 . A 21 ALA HB% A 109 THR CG2 A 21 ALA CB 1 . ' 21AlaH 109ThrC 21AlaC ' . 1 2 34 36887516.31 . 1590436.875 . 1.429711976 . 19.31426285 . 22.03693228 . A 109 THR HG2% A 21 ALA CB A 109 THR CG2 1 . ' 109ThrH 21AlaC 109ThrC ' . 1 3 44 46589877.62 . 1960122.5 . 0.8929897806 . 13.30890876 . 11.51377799 . A 26 ILE HD1% A 33 ILE CD1 A 26 ILE CD1 1 . ' 26IleH (128Ile/33Ile)C 26IleC ' . 1 4 44 46589877.62 . 1960122.5 . 0.8929897806 . 13.30890876 . 11.51377799 . A 26 ILE HD1% A 128 ILE CD1 A 26 ILE CD1 1 . ' 26IleH (128Ile/33Ile)C 26IleC ' . 1 5 45 41667560 . 1795902 . 0.6269551713 . 11.54532007 . 13.30274165 . A 33 ILE HD1% A 26 ILE CD1 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 26IleC (33Ile/128Ile)C ' . 1 6 45 41667560 . 1795902 . 0.6269551713 . 11.54532007 . 13.30274165 . A 33 ILE HD1% A 26 ILE CD1 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 26IleC (33Ile/128Ile)C ' . 1 7 45 41667560 . 1795902 . 0.6269551713 . 11.54532007 . 13.30274165 . A 128 ILE HD1% A 26 ILE CD1 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 26IleC (33Ile/128Ile)C ' . 1 8 45 41667560 . 1795902 . 0.6269551713 . 11.54532007 . 13.30274165 . A 128 ILE HD1% A 26 ILE CD1 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 26IleC (33Ile/128Ile)C ' . 1 9 38 146801353 . 6219090.5 . 0.8938980302 . 18.60318616 . 11.51856291 . A 26 ILE HD1% A 111 ALA CB A 26 ILE CD1 1 . ' 26IleH 111AlaC 26IleC ' . 1 10 39 149179559.5 . 6431188 . 1.406468548 . 11.53076187 . 18.60385795 . A 111 ALA HB% A 26 ILE CD1 A 111 ALA CB 1 . ' 111AlaH (110Ile/26Ile)C 111AlaC ' . 1 11 40 71947803.75 . 3060622.5 . 0.8945812737 . 16.6037573 . 11.52710633 . A 26 ILE HD1% A 119 MET CE A 26 ILE CD1 1 . ' 26IleH 119MetC 26IleC ' . 1 12 41 119177254.5 . 5202388.5 . 2.024298058 . 11.53151003 . 16.60518326 . A 119 MET HE% A 26 ILE CD1 A 119 MET CE 1 . ' 119MetH 26IleC 119MetC ' . 1 13 42 32148574.62 . 1368368 . 0.8940057436 . 14.53243899 . 11.49683302 . A 26 ILE HD1% A 131 ILE CD1 A 26 ILE CD1 1 . ' 26IleH 131IleC 26IleC ' . 1 14 43 36433374.5 . 1558114.25 . 0.6644881441 . 11.51415177 . 14.54010184 . A 131 ILE HD1% A 26 ILE CD1 A 131 ILE CD1 1 . ' 131IleH 26IleC 131IleC ' . 1 15 48 391390540 . 17052820 . 1.088351387 . 26.2663962 . 23.63857919 . A 115 THR HG2% A 29 LEU CD2 A 115 THR CG2 1 . ' 115ThrH 29LeuC 115ThrC ' . 1 16 49 357650950 . 15491293 . 0.8706335265 . 23.63652757 . 26.26540225 . A 29 LEU HD2% A 115 THR CG2 A 29 LEU CD2 1 . ' 29LeuH 115ThrC 29LeuC ' . 1 17 50 165789820 . 7224872.5 . 0.8702350929 . 16.60067289 . 26.27120343 . A 29 LEU HD2% A 119 MET CE A 29 LEU CD2 1 . ' 29LeuH 119MetC 29LeuC ' . 1 18 51 288366724 . 12825691 . 2.024589937 . 26.2685617 . 16.60361009 . A 119 MET HE% A 29 LEU CD2 A 119 MET CE 1 . ' 119MetH 29LeuC 119MetC ' . 1 19 52 301363050 . 13197320 . 0.8708372545 . 14.52952733 . 26.26550042 . A 29 LEU HD2% A 131 ILE CD1 A 29 LEU CD2 1 . ' 29LeuH 131IleC 29LeuC ' . 1 20 53 407173307 . 17860956 . 0.6661086601 . 26.26465125 . 14.53105414 . A 131 ILE HD1% A 29 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 29LeuC 131IleC ' . 1 21 54 435066974 . 18837308 . 0.8705941462 . 17.54898175 . 26.26556507 . A 29 LEU HD2% A 136 VAL CG2 A 29 LEU CD2 1 . ' 29LeuH 136ValC 29LeuC ' . 1 22 55 563597362 . 24639154 . 0.5584847815 . 26.26546699 . 17.54787583 . A 136 VAL HG2% A 29 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 29LeuC 136ValC ' . 1 23 70 554220595 . 24539076 . 0.7739678548 . 13.33243295 . 24.44500329 . A 32 LEU HD2% A 33 ILE CD1 A 32 LEU CD2 1 . ' 32LeuH (128Ile/33Ile)C 32LeuC ' . 1 24 70 554220595 . 24539076 . 0.7739678548 . 13.33243295 . 24.44500329 . A 32 LEU HD2% A 128 ILE CD1 A 32 LEU CD2 1 . ' 32LeuH (128Ile/33Ile)C 32LeuC ' . 1 25 71 674916538 . 29651366 . 0.6305463349 . 24.44333677 . 13.32949698 . A 33 ILE HD1% A 32 LEU CD2 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 32LeuC (33Ile/128Ile)C ' . 1 26 71 674916538 . 29651366 . 0.6305463349 . 24.44333677 . 13.32949698 . A 33 ILE HD1% A 32 LEU CD2 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 32LeuC (33Ile/128Ile)C ' . 1 27 71 674916538 . 29651366 . 0.6305463349 . 24.44333677 . 13.32949698 . A 128 ILE HD1% A 32 LEU CD2 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 32LeuC (33Ile/128Ile)C ' . 1 28 71 674916538 . 29651366 . 0.6305463349 . 24.44333677 . 13.32949698 . A 128 ILE HD1% A 32 LEU CD2 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 32LeuC (33Ile/128Ile)C ' . 1 29 61 467280441 . 20879878 . 0.7738759103 . 16.60149562 . 24.44681697 . A 32 LEU HD2% A 119 MET CE A 32 LEU CD2 1 . ' 32LeuH 119MetC 32LeuC ' . 1 30 63 705390836 . 31840216 . 2.02488207 . 24.44760899 . 16.60358869 . A 119 MET HE% A 32 LEU CD2 A 119 MET CE 1 . ' 119MetH 32LeuC 119MetC ' . 1 31 64 452099313 . 20109156 . 0.7737911384 . 22.26460312 . 24.44645023 . A 32 LEU HD2% A 122 LEU CD2 A 32 LEU CD2 1 . ' 32LeuH 122LeuC 32LeuC ' . 1 32 65 431380648 . 18954996 . 0.3966200428 . 24.44511716 . 22.26487979 . A 122 LEU HD2% A 32 LEU CD2 A 122 LEU CD2 1 . ' 122LeuH 32LeuC 122LeuC ' . 1 33 218 346233117 . 15134388 . 0.630356472 . 20.59150555 . 13.33932103 . A 33 ILE HD1% A 36 THR CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 36ThrC (128Ile/33Ile)C ' . 1 34 218 346233117 . 15134388 . 0.630356472 . 20.59150555 . 13.33932103 . A 33 ILE HD1% A 36 THR CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 36ThrC (128Ile/33Ile)C ' . 1 35 218 346233117 . 15134388 . 0.630356472 . 20.59150555 . 13.33932103 . A 128 ILE HD1% A 36 THR CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 36ThrC (128Ile/33Ile)C ' . 1 36 218 346233117 . 15134388 . 0.630356472 . 20.59150555 . 13.33932103 . A 128 ILE HD1% A 36 THR CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 36ThrC (128Ile/33Ile)C ' . 1 37 219 215196306.5 . 9246476 . 0.9857865725 . 13.34101296 . 20.59139788 . A 36 THR HG2% A 33 ILE CD1 A 36 THR CG2 1 . ' 36ThrH (33Ile/128Ile)C 36ThrC ' . 1 38 219 215196306.5 . 9246476 . 0.9857865725 . 13.34101296 . 20.59139788 . A 36 THR HG2% A 128 ILE CD1 A 36 THR CG2 1 . ' 36ThrH (33Ile/128Ile)C 36ThrC ' . 1 39 220 418288734 . 18319006 . 0.6303737418 . 15.10946744 . 13.33387963 . A 33 ILE HD1% A 43 ILE CD1 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 43IleC (128Ile/33Ile)C ' . 1 40 220 418288734 . 18319006 . 0.6303737418 . 15.10946744 . 13.33387963 . A 33 ILE HD1% A 43 ILE CD1 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 43IleC (128Ile/33Ile)C ' . 1 41 220 418288734 . 18319006 . 0.6303737418 . 15.10946744 . 13.33387963 . A 128 ILE HD1% A 43 ILE CD1 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 43IleC (128Ile/33Ile)C ' . 1 42 220 418288734 . 18319006 . 0.6303737418 . 15.10946744 . 13.33387963 . A 128 ILE HD1% A 43 ILE CD1 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 43IleC (128Ile/33Ile)C ' . 1 43 221 444267437 . 19470974 . 0.6826416852 . 13.33508596 . 15.10800365 . A 43 ILE HD1% A 33 ILE CD1 A 43 ILE CD1 1 . ' 43IleH (128Ile/33Ile)C 43IleC ' . 1 44 221 444267437 . 19470974 . 0.6826416852 . 13.33508596 . 15.10800365 . A 43 ILE HD1% A 128 ILE CD1 A 43 ILE CD1 1 . ' 43IleH (128Ile/33Ile)C 43IleC ' . 1 45 222 158128719.5 . 6808224.5 . 0.6306235054 . 23.65131256 . 13.30506273 . A 33 ILE HD1% A 115 THR CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 115ThrC (33Ile/128Ile)C ' . 1 46 222 158128719.5 . 6808224.5 . 0.6306235054 . 23.65131256 . 13.30506273 . A 33 ILE HD1% A 115 THR CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 115ThrC (33Ile/128Ile)C ' . 1 47 222 158128719.5 . 6808224.5 . 0.6306235054 . 23.65131256 . 13.30506273 . A 128 ILE HD1% A 115 THR CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 115ThrC (33Ile/128Ile)C ' . 1 48 222 158128719.5 . 6808224.5 . 0.6306235054 . 23.65131256 . 13.30506273 . A 128 ILE HD1% A 115 THR CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 115ThrC (33Ile/128Ile)C ' . 1 49 223 108613104.2 . 4743640 . 1.088928161 . 13.30090858 . 23.63674704 . A 115 THR HG2% A 33 ILE CD1 A 115 THR CG2 1 . ' 115ThrH (128Ile/33Ile)C 115ThrC ' . 1 50 223 108613104.2 . 4743640 . 1.088928161 . 13.30090858 . 23.63674704 . A 115 THR HG2% A 128 ILE CD1 A 115 THR CG2 1 . ' 115ThrH (128Ile/33Ile)C 115ThrC ' . 1 51 234 131925595.5 . 5765306.5 . 0.6291522447 . 16.59682694 . 13.31957037 . A 33 ILE HD1% A 119 MET CE A 33 ILE CD1 1 . ' (33Ile/128Ile)H 119MetC (33Ile/128Ile)C ' . 1 52 234 131925595.5 . 5765306.5 . 0.6291522447 . 16.59682694 . 13.31957037 . A 33 ILE HD1% A 119 MET CE A 128 ILE CD1 1 . ' (33Ile/128Ile)H 119MetC (33Ile/128Ile)C ' . 1 53 234 131925595.5 . 5765306.5 . 0.6291522447 . 16.59682694 . 13.31957037 . A 128 ILE HD1% A 119 MET CE A 33 ILE CD1 1 . ' (33Ile/128Ile)H 119MetC (33Ile/128Ile)C ' . 1 54 234 131925595.5 . 5765306.5 . 0.6291522447 . 16.59682694 . 13.31957037 . A 128 ILE HD1% A 119 MET CE A 128 ILE CD1 1 . ' (33Ile/128Ile)H 119MetC (33Ile/128Ile)C ' . 1 55 235 131284502.5 . 5861389.5 . 2.023759708 . 13.31284007 . 16.6040139 . A 119 MET HE% A 33 ILE CD1 A 119 MET CE 1 . ' 119MetH (33Ile/128Ile)C 119MetC ' . 1 56 235 131284502.5 . 5861389.5 . 2.023759708 . 13.31284007 . 16.6040139 . A 119 MET HE% A 128 ILE CD1 A 119 MET CE 1 . ' 119MetH (33Ile/128Ile)C 119MetC ' . 1 57 224 956030208 . 42006152 . 0.6306783353 . 22.2617028 . 13.34062299 . A 33 ILE HD1% A 122 LEU CD2 A 33 ILE CD1 1 . ' 33IleH 122LeuC 33IleC ' . 1 58 225 791148832 . 34508924 . 0.3965664875 . 13.34326119 . 22.26096345 . A 122 LEU HD2% A 33 ILE CD1 A 122 LEU CD2 1 . ' 122LeuH 33IleC 122LeuC ' . 1 59 226 68463610.38 . 3024827 . 0.6293743602 . 19.25810294 . 13.34997418 . A 33 ILE HD1% A 126 ALA CB A 33 ILE CD1 1 . ' 33IleH 126AlaC 33IleC ' . 1 60 227 63402362.38 . 2797207 . 1.251327068 . 13.33357293 . 19.26444811 . A 126 ALA HB% A 33 ILE CD1 A 126 ALA CB 1 . ' 126AlaH 33IleC 126AlaC ' . 1 61 228 1618619028 . 71480512 . 0.6304761959 . 14.53011182 . 13.31187175 . A 33 ILE HD1% A 131 ILE CD1 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (33Ile/128Ile)C ' . 1 62 228 1618619028 . 71480512 . 0.6304761959 . 14.53011182 . 13.31187175 . A 33 ILE HD1% A 131 ILE CD1 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (33Ile/128Ile)C ' . 1 63 228 1618619028 . 71480512 . 0.6304761959 . 14.53011182 . 13.31187175 . A 128 ILE HD1% A 131 ILE CD1 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (33Ile/128Ile)C ' . 1 64 228 1618619028 . 71480512 . 0.6304761959 . 14.53011182 . 13.31187175 . A 128 ILE HD1% A 131 ILE CD1 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (33Ile/128Ile)C ' . 1 65 229 1639848840 . 71935704 . 0.6658445929 . 13.31179727 . 14.53031007 . A 131 ILE HD1% A 33 ILE CD1 A 131 ILE CD1 1 . ' 131IleH (128Ile/33Ile)C 131IleC ' . 1 66 229 1639848840 . 71935704 . 0.6658445929 . 13.31179727 . 14.53031007 . A 131 ILE HD1% A 128 ILE CD1 A 131 ILE CD1 1 . ' 131IleH (128Ile/33Ile)C 131IleC ' . 1 67 230 336422726 . 14677748 . 0.5580410215 . 13.30438181 . 17.54802169 . A 136 VAL HG2% A 33 ILE CD1 A 136 VAL CG2 1 . ' 136ValH (128Ile/33Ile)C 136ValC ' . 1 68 230 336422726 . 14677748 . 0.5580410215 . 13.30438181 . 17.54802169 . A 136 VAL HG2% A 128 ILE CD1 A 136 VAL CG2 1 . ' 136ValH (128Ile/33Ile)C 136ValC ' . 1 69 231 347924776 . 15156011 . 0.6302534427 . 17.54796899 . 13.30579014 . A 33 ILE HD1% A 136 VAL CG2 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 136ValC (33Ile/128Ile)C ' . 1 70 231 347924776 . 15156011 . 0.6302534427 . 17.54796899 . 13.30579014 . A 33 ILE HD1% A 136 VAL CG2 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 136ValC (33Ile/128Ile)C ' . 1 71 231 347924776 . 15156011 . 0.6302534427 . 17.54796899 . 13.30579014 . A 128 ILE HD1% A 136 VAL CG2 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 136ValC (33Ile/128Ile)C ' . 1 72 231 347924776 . 15156011 . 0.6302534427 . 17.54796899 . 13.30579014 . A 128 ILE HD1% A 136 VAL CG2 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 136ValC (33Ile/128Ile)C ' . 1 73 232 1014544912 . 44712556 . 0.6306048862 . 24.16152872 . 13.33436929 . A 33 ILE HD1% A 143 LEU CD2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 143LeuC (128Ile/33Ile)C ' . 1 74 232 1014544912 . 44712556 . 0.6306048862 . 24.16152872 . 13.33436929 . A 33 ILE HD1% A 143 LEU CD2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 143LeuC (128Ile/33Ile)C ' . 1 75 232 1014544912 . 44712556 . 0.6306048862 . 24.16152872 . 13.33436929 . A 128 ILE HD1% A 143 LEU CD2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 143LeuC (128Ile/33Ile)C ' . 1 76 232 1014544912 . 44712556 . 0.6306048862 . 24.16152872 . 13.33436929 . A 128 ILE HD1% A 143 LEU CD2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 143LeuC (128Ile/33Ile)C ' . 1 77 233 857858596 . 37811376 . 1.046659036 . 13.33543364 . 24.16103848 . A 143 LEU HD2% A 33 ILE CD1 A 143 LEU CD2 1 . ' 143LeuH (33Ile/128Ile)C 143LeuC ' . 1 78 233 857858596 . 37811376 . 1.046659036 . 13.33543364 . 24.16103848 . A 143 LEU HD2% A 128 ILE CD1 A 143 LEU CD2 1 . ' 143LeuH (33Ile/128Ile)C 143LeuC ' . 1 79 72 64422122.88 . 2766229.25 . 0.9849815694 . 22.24937645 . 20.58848786 . A 36 THR HG2% A 122 LEU CD2 A 36 THR CG2 1 . ' 36ThrH 122LeuC 36ThrC ' . 1 80 73 81064453.5 . 3560259.5 . 0.3961476762 . 20.59119233 . 22.25979172 . A 122 LEU HD2% A 36 THR CG2 A 122 LEU CD2 1 . ' 122LeuH 36ThrC 122LeuC ' . 1 81 80 281859502 . 12102502 . 0.6832803939 . 14.53671558 . 15.10659761 . A 43 ILE HD1% A 131 ILE CD1 A 43 ILE CD1 1 . ' 43IleH 131IleC 43IleC ' . 1 82 81 242240618 . 10342655 . 0.6672801617 . 15.10838185 . 14.54035071 . A 131 ILE HD1% A 43 ILE CD1 A 131 ILE CD1 1 . ' 131IleH 43IleC 131IleC ' . 1 83 94 54396175.88 . 2480983 . 0.8406138107 . 20.82310757 . 15.44699979 . A 96 ILE HD1% A 99 THR CG2 A 96 ILE CD1 1 . ' 96IleH 99ThrC 96IleC ' . 1 84 95 51944674.62 . 2286995.25 . 0.6583271605 . 15.44378729 . 20.83145958 . A 99 THR HG2% A 96 ILE CD1 A 99 THR CG2 1 . ' 99ThrH 96IleC 99ThrC ' . 1 85 96 28441687.31 . 1226428.25 . 1.682784381 . 17.60996455 . 18.84926046 . A 55 ALA HB% A 98 MET CE A 55 ALA CB 1 . ' 55AlaH 98MetC 55AlaC ' . 1 86 97 48438634.75 . 2111800.5 . 1.731645917 . 18.85708601 . 17.57683712 . A 98 MET HE% A 55 ALA CB A 98 MET CE 1 . ' 98MetH 55AlaC 98MetC ' . 1 87 104 467373968 . 20294960 . 1.733439134 . 25.06968047 . 17.57704677 . A 98 MET HE% A 103 LEU CD2 A 98 MET CE 1 . ' 98MetH 103LeuC 98MetC ' . 1 88 105 401249499 . 17309374 . 0.7945289499 . 17.57613962 . 25.06725818 . A 103 LEU HD2% A 98 MET CE A 103 LEU CD2 1 . ' 103LeuH 98MetC 103LeuC ' . 1 89 110 348042869 . 15076208 . 1.733185913 . 21.38946041 . 17.57606917 . A 98 MET HE% A 107 LEU CD2 A 98 MET CE 1 . ' 98MetH 107LeuC 98MetC ' . 1 90 111 285624694 . 12304701 . -0.8716230902 . 17.57918023 . 21.39251012 . A 107 LEU HD2% A 98 MET CE A 107 LEU CD2 1 . ' 107LeuH 98MetC 107LeuC ' . 1 91 108 257822470.5 . 11267927 . 1.733196154 . 22.08086528 . 17.57673818 . A 98 MET HE% A 150 VAL CG2 A 98 MET CE 1 . ' 98MetH 150ValC 98MetC ' . 1 92 109 212391259 . 9236847 . 0.8235767396 . 17.57967151 . 22.08448308 . A 150 VAL HG2% A 98 MET CE A 150 VAL CG2 1 . ' 150ValH 98MetC 150ValC ' . 1 93 98 525293334 . 23211376 . 1.733256015 . 19.46886576 . 17.57752349 . A 98 MET HE% A 152 THR CG2 A 98 MET CE 1 . ' 98MetH 152ThrC 98MetC ' . 1 94 99 458343695 . 20217920 . 1.420128714 . 17.57601717 . 19.47202798 . A 152 THR HG2% A 98 MET CE A 152 THR CG2 1 . ' 152ThrH 98MetC 152ThrC ' . 1 95 100 94915776 . 4228627 . 1.731496592 . 16.58592375 . 17.57906479 . A 98 MET HE% A 180 MET CE A 98 MET CE 1 . ' 98MetH 180MetC 98MetC ' . 1 96 102 130624318.5 . 5849246 . 1.8058762 . 17.57667322 . 16.58193834 . A 180 MET HE% A 98 MET CE A 180 MET CE 1 . ' 180MetH 98MetC 180MetC ' . 1 97 106 630459294 . 27701976 . 1.733401163 . 22.85887102 . 17.57783452 . A 98 MET HE% A 184 THR CG2 A 98 MET CE 1 . ' 98MetH 184ThrC 98MetC ' . 1 98 107 510755234 . 22473060 . 1.022894789 . 17.57593801 . 22.85777535 . A 184 THR HG2% A 98 MET CE A 184 THR CG2 1 . ' 184ThrH 98MetC 184ThrC ' . 1 99 1 260468891.5 . 11375098 . 1.73324331 . 20.85354932 . 17.57577338 . A 98 MET HE% A 186 VAL CG2 A 98 MET CE 1 . ' 98MetH 186ValC 98MetC ' . 1 100 2 200427582.5 . 8794349 . 1.078415752 . 17.57835412 . 20.85506624 . A 186 VAL HG2% A 98 MET CE A 186 VAL CG2 1 . ' 186ValH 98MetC 186ValC ' . 1 101 118 100578240 . 4511459.5 . 0.6584690602 . 17.79191571 . 20.82986452 . A 99 THR HG2% A 101 ALA CB A 99 THR CG2 1 . ' 99ThrH 101AlaC 99ThrC ' . 1 102 119 104998647.2 . 4680829.5 . 1.199250392 . 20.83449237 . 17.79330586 . A 101 ALA HB% A 99 THR CG2 A 101 ALA CB 1 . ' 101AlaH 99ThrC 101AlaC ' . 1 103 120 106328838.5 . 4738743 . 1.199553092 . 14.83458639 . 17.79635015 . A 101 ALA HB% A 104 ILE CD1 A 101 ALA CB 1 . ' 101AlaH 104IleC 101AlaC ' . 1 104 121 100925276.2 . 4387565 . 0.5456373986 . 17.7966649 . 14.82695909 . A 104 ILE HG1% A 101 ALA CB A 104 ILE CD1 1 . ' 104IleH 101AlaC 104IleC ' . 1 105 126 85080362.75 . 3673527.5 . 0.7944098493 . 14.83559704 . 25.06709358 . A 103 LEU HD2% A 104 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 104IleC 103LeuC ' . 1 106 127 95701400.5 . 4097128.5 . 0.5461449703 . 25.06507933 . 14.83690731 . A 104 ILE HG1% A 103 LEU CD2 A 104 ILE CD1 1 . ' 104IleH 103LeuC 104IleC ' . 1 107 128 152319453 . 6418028 . 0.7945417611 . 21.39206267 . 25.06154018 . A 103 LEU HD2% A 107 LEU CD2 A 103 LEU CD2 1 . ' 103LeuH 107LeuC 103LeuC ' . 1 108 129 140275671 . 5938731 . -0.8714458164 . 25.06613756 . 21.3910425 . A 107 LEU HD2% A 103 LEU CD2 A 107 LEU CD2 1 . ' 107LeuH 103LeuC 107LeuC ' . 1 109 132 97379007.25 . 4123565.75 . 0.7938356205 . 22.08748448 . 25.07990016 . A 103 LEU HD2% A 150 VAL CG2 A 103 LEU CD2 1 . ' 103LeuH 150ValC 103LeuC ' . 1 110 133 87444507.5 . 3678724 . 0.8234567839 . 25.07643517 . 22.06957252 . A 150 VAL HG2% A 103 LEU CD2 A 150 VAL CG2 1 . ' 150ValH 103LeuC 150ValC ' . 1 111 134 434103963 . 18735282 . 0.7945804769 . 19.47322389 . 25.07107427 . A 103 LEU HD2% A 152 THR CG2 A 103 LEU CD2 1 . ' 103LeuH 152ThrC 103LeuC ' . 1 112 135 430746697 . 18551252 . 1.420318365 . 25.07089884 . 19.47200247 . A 152 THR HG2% A 103 LEU CD2 A 152 THR CG2 1 . ' 152ThrH 103LeuC 152ThrC ' . 1 113 136 382837352 . 16375885 . 0.7940331764 . 23.04539395 . 25.06480952 . A 103 LEU HD2% A 172 VAL CG2 A 103 LEU CD2 1 . ' 103LeuH 172ValC 103LeuC ' . 1 114 137 380768307 . 16579508 . 1.239437865 . 25.06893913 . 23.04744292 . A 172 VAL HG2% A 103 LEU CD2 A 172 VAL CG2 1 . ' 172ValH 103LeuC 172ValC ' . 1 115 125 14355945.56 . 615936.625 . 0.663869219 . 25.10083523 . 20.8677662 . A 99 THR HG2% A 103 LEU CD2 A 99 THR CG2 1 . ' 99ThrH 103LeuC 99ThrC ' . 1 116 123 61138058.25 . 2598563.75 . 0.795814911 . 20.85534322 . 25.06737611 . A 103 LEU HD2% A 99 THR CG2 A 103 LEU CD2 1 . ' 103LeuH (99Thr/186Val)C 103LeuC ' . 1 117 123 61138058.25 . 2598563.75 . 0.795814911 . 20.85534322 . 25.06737611 . A 103 LEU HD2% A 186 VAL CG2 A 103 LEU CD2 1 . ' 103LeuH (99Thr/186Val)C 103LeuC ' . 1 118 124 41341785.25 . 1772346.5 . 1.077884541 . 25.04314981 . 20.85352104 . A 186 VAL HG2% A 103 LEU CD2 A 186 VAL CG2 1 . ' 186ValH 103LeuC 186ValC ' . 1 119 138 122294185 . 5288832 . 0.5476036927 . 22.04859858 . 14.8259134 . A 104 ILE HG1% A 109 THR CG2 A 104 ILE CD1 1 . ' 104IleH 109ThrC 104IleC ' . 1 120 139 96947805 . 4212059.5 . 1.430353424 . 14.82704879 . 22.0433303 . A 109 THR HG2% A 104 ILE CD1 A 109 THR CG2 1 . ' 109ThrH 104IleC 109ThrC ' . 1 121 140 611156128 . 26669382 . 0.5466369819 . 23.04722246 . 14.83215533 . A 104 ILE HG1% A 172 VAL CG2 A 104 ILE CD1 1 . ' 104IleH 172ValC 104IleC ' . 1 122 141 680989246 . 30253540 . 1.239410931 . 14.83340896 . 23.04657271 . A 172 VAL HG2% A 104 ILE CD1 A 172 VAL CG2 1 . ' 172ValH 104IleC 172ValC ' . 1 123 142 279233013 . 11882604 . -0.8714454821 . 22.0730834 . 21.39883832 . A 107 LEU HD2% A 150 VAL CG2 A 107 LEU CD2 1 . ' 107LeuH 150ValC 107LeuC ' . 1 124 143 300992912 . 12796692 . 0.8232872737 . 21.38005209 . 22.07584047 . A 150 VAL HG2% A 107 LEU CD2 A 150 VAL CG2 1 . ' 150ValH 107LeuC 150ValC ' . 1 125 144 61616018.38 . 2646434.25 . -0.8721146589 . 19.47262191 . 21.39517138 . A 107 LEU HD2% A 152 THR CG2 A 107 LEU CD2 1 . ' 107LeuH 152ThrC 107LeuC ' . 1 126 145 71634120.75 . 3035803.5 . 1.419394905 . 21.37709129 . 19.47001324 . A 152 THR HG2% A 107 LEU CD2 A 152 THR CG2 1 . ' 152ThrH 107LeuC 152ThrC ' . 1 127 146 111237867.8 . 4706938 . 1.430872298 . 11.67812139 . 22.05081441 . A 109 THR HG2% A 110 ILE CD1 A 109 THR CG2 1 . ' 109ThrH 110IleC 109ThrC ' . 1 128 147 168414652 . 7348409 . 0.8070325112 . 22.04955908 . 11.7001122 . A 110 ILE HD1% A 109 THR CG2 A 110 ILE CD1 1 . ' 110IleH 109ThrC 110IleC ' . 1 129 150 75649434 . 3268815 . 1.2381057 . 22.0544243 . 23.04235135 . A 172 VAL HG2% A 109 THR CG2 A 172 VAL CG2 1 . ' 172ValH (109Thr/150Val)C 172ValC ' . 1 130 151 62228767 . 2675546.5 . 1.429772407 . 23.07217388 . 22.04933386 . A 109 THR HG2% A 172 VAL CG2 A 109 THR CG2 1 . ' 109ThrH 172ValC 109ThrC ' . 1 131 150 75649434 . 3268815 . 1.2381057 . 22.0544243 . 23.04235135 . A 172 VAL HG2% A 150 VAL CG2 A 172 VAL CG2 1 . ' 172ValH (109Thr/150Val)C 172ValC ' . 1 132 152 84562632 . 3292898.5 . 0.8245677657 . 23.04576293 . 22.05 . A 150 VAL HG2% A 172 VAL CG2 A 150 VAL CG2 1 . ' 150ValH 172ValC 150ValC ' . 1 133 280 114014715.2 . 5001891.5 . 1.4062301 . 23.63436459 . 18.59991312 . A 111 ALA HB% A 115 THR CG2 A 111 ALA CB 1 . ' 111AlaH 115ThrC 111AlaC ' . 1 134 281 118640422.2 . 5172239 . 1.087998225 . 18.60191318 . 23.63381843 . A 115 THR HG2% A 111 ALA CB A 115 THR CG2 1 . ' 115ThrH 111AlaC 115ThrC ' . 1 135 157 32191139.62 . 1388846.25 . 1.406539906 . 17.56021965 . 18.56632928 . A 111 ALA HB% A 136 VAL CG2 A 111 ALA CB 1 . ' 111AlaH (98Met/136Val)C 111AlaC ' . 1 136 158 39985998.25 . 1736791.875 . 0.5594354953 . 18.6172612 . 17.57361967 . A 136 VAL HG2% A 111 ALA CB A 136 VAL CG2 1 . ' 136ValH 111AlaC 136ValC ' . 1 137 155 251749740.5 . 10821675 . 1.088695135 . 11.52463957 . 23.63582372 . A 115 THR HG2% A 26 ILE CD1 A 115 THR CG2 1 . ' 115ThrH (26Ile/110Ile)C 115ThrC ' . 1 138 156 229976470 . 9781086 . 0.8945916365 . 23.63675042 . 11.5242791 . A 26 ILE HD1% A 115 THR CG2 A 26 ILE CD1 1 . ' 26IleH 115ThrC 26IleC ' . 1 139 162 731447194 . 32299530 . 1.088388231 . 16.60256268 . 23.63587735 . A 115 THR HG2% A 119 MET CE A 115 THR CG2 1 . ' 115ThrH 119MetC 115ThrC ' . 1 140 163 1199124800 . 53780428 . 2.025005054 . 23.63806768 . 16.60354956 . A 119 MET HE% A 115 THR CG2 A 119 MET CE 1 . ' 119MetH 115ThrC 119MetC ' . 1 141 164 229023844.5 . 10019273 . 1.088396195 . 17.54470163 . 23.63933853 . A 115 THR HG2% A 136 VAL CG2 A 115 THR CG2 1 . ' 115ThrH 136ValC 115ThrC ' . 1 142 165 281590452 . 12314303 . 0.5585848866 . 23.64034678 . 17.54712632 . A 136 VAL HG2% A 115 THR CG2 A 136 VAL CG2 1 . ' 136ValH 115ThrC 136ValC ' . 1 143 93 129291028.2 . 5596547 . 0.3964611773 . 16.53919456 . 22.26276666 . A 122 LEU HD2% A 119 MET CE A 122 LEU CD2 1 . ' 122LeuH (121Ala/119Met)C 122LeuC ' . 1 144 171 87784003.25 . 3926814.75 . 2.024338701 . 22.26009311 . 16.60283122 . A 119 MET HE% A 122 LEU CD2 A 119 MET CE 1 . ' 119MetH 122LeuC 119MetC ' . 1 145 168 40576180.25 . 1726897.5 . 1.336753582 . 18.0235127 . 16.51020585 . A 121 ALA HB% A 117 ALA CB A 121 ALA CB 1 . ' 121AlaH 117AlaC 121AlaC ' . 1 146 169 39249561.5 . 1777478.5 . 1.641816978 . 16.52124391 . 18.02143229 . A 117 ALA HB% A 121 ALA CB A 117 ALA CB 1 . ' 117AlaH 121AlaC 117AlaC ' . 1 147 92 94945010.5 . 4208838 . 1.341061218 . 22.26324764 . 16.50622685 . A 121 ALA HB% A 122 LEU CD2 A 121 ALA CB 1 . ' 121AlaH 122LeuC 121AlaC ' . 1 148 93 129291028.2 . 5596547 . 0.3964611773 . 16.53919456 . 22.26276666 . A 122 LEU HD2% A 121 ALA CB A 122 LEU CD2 1 . ' 122LeuH (121Ala/119Met)C 122LeuC ' . 1 149 160 75897363.25 . 3319949.5 . 1.339787739 . 18.61401866 . 16.51468311 . A 121 ALA HB% A 124 ALA CB A 121 ALA CB 1 . ' 121AlaH 124AlaC 121AlaC ' . 1 150 172 80306599.25 . 3562538.5 . 1.5033087 . 16.51673385 . 18.60884118 . A 124 ALA HB% A 121 ALA CB A 124 ALA CB 1 . ' 124AlaH 121AlaC 124AlaC ' . 1 151 175 308140729 . 13530664 . 1.252187773 . 16.50884614 . 19.26399745 . A 126 ALA HB% A 121 ALA CB A 126 ALA CB 1 . ' 126AlaH 121AlaC 126AlaC ' . 1 152 176 311414047 . 13742120 . 1.340899958 . 19.26491425 . 16.50921332 . A 121 ALA HB% A 126 ALA CB A 121 ALA CB 1 . ' 121AlaH 126AlaC 121AlaC ' . 1 153 177 33487789.62 . 1437211.25 . 0.3951974559 . 26.2865045 . 22.2575081 . A 122 LEU HD2% A 29 LEU CD2 A 122 LEU CD2 1 . ' 122LeuH 29LeuC 122LeuC ' . 1 154 178 40130624.25 . 1736524.75 . 0.8717699298 . 22.25680388 . 26.27013842 . A 29 LEU HD2% A 122 LEU CD2 A 29 LEU CD2 1 . ' 29LeuH 122LeuC 29LeuC ' . 1 155 179 307667763 . 13587660 . 1.251615902 . 22.26337364 . 19.25233325 . A 126 ALA HB% A 122 LEU CD2 A 126 ALA CB 1 . ' 126AlaH 122LeuC 126AlaC ' . 1 156 180 313753763 . 13765880 . 0.397062176 . 19.25381917 . 22.26517046 . A 122 LEU HD2% A 126 ALA CB A 122 LEU CD2 1 . ' 122LeuH 126AlaC 122LeuC ' . 1 157 181 87782565.75 . 3862976.75 . 0.395783043 . 16.97772008 . 22.26028074 . A 122 LEU HD2% A 130 MET CE A 122 LEU CD2 1 . ' 122LeuH 130MetC 122LeuC ' . 1 158 182 152126984.2 . 6830658 . 2.19798802 . 22.27022237 . 16.97655104 . A 130 MET HE% A 122 LEU CD2 A 130 MET CE 1 . ' 130MetH 122LeuC 130MetC ' . 1 159 183 113037486.2 . 4991447.5 . 0.3967692745 . 14.53602469 . 22.2604205 . A 122 LEU HD2% A 131 ILE CD1 A 122 LEU CD2 1 . ' 122LeuH 131IleC 122LeuC ' . 1 160 184 148042289.5 . 6497094 . 0.666043287 . 22.2630818 . 14.52777549 . A 131 ILE HD1% A 122 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 122LeuC 131IleC ' . 1 161 185 120874547.5 . 5288462 . 0.3958032514 . 24.16142564 . 22.2568388 . A 122 LEU HD2% A 143 LEU CD2 A 122 LEU CD2 1 . ' 122LeuH 143LeuC 122LeuC ' . 1 162 186 101880534.5 . 4469287 . 1.045331574 . 22.26434618 . 24.16252598 . A 143 LEU HD2% A 122 LEU CD2 A 143 LEU CD2 1 . ' 143LeuH 122LeuC 143LeuC ' . 1 163 173 113513563.2 . 5036360 . 1.503517263 . 19.247387 . 18.62084089 . A 124 ALA HB% A 126 ALA CB A 124 ALA CB 1 . ' 124AlaH 126AlaC 124AlaC ' . 1 164 174 70358195.75 . 3059266.5 . 1.25091625 . 18.60946945 . 19.25796517 . A 126 ALA HB% A 124 ALA CB A 126 ALA CB 1 . ' 126AlaH 124AlaC 126AlaC ' . 1 165 191 532549348 . 23904204 . 2.197737494 . 19.25382896 . 16.97771837 . A 130 MET HE% A 126 ALA CB A 130 MET CE 1 . ' 130MetH 126AlaC 130MetC ' . 1 166 192 315087037 . 14048435 . 1.251180023 . 16.9781735 . 19.2576634 . A 126 ALA HB% A 130 MET CE A 126 ALA CB 1 . ' 126AlaH 130MetC 126AlaC ' . 1 167 85 258254230 . 11459963 . 1.340504913 . 16.97118936 . 16.50473483 . A 121 ALA HB% A 130 MET CE A 121 ALA CB 1 . ' 121AlaH 130MetC 121AlaC ' . 1 168 86 496590236 . 22642524 . 2.198639921 . 16.50915684 . 16.97783718 . A 130 MET HE% A 121 ALA CB A 130 MET CE 1 . ' 130MetH 121AlaC 130MetC ' . 1 169 193 116558265.5 . 5151420 . 0.6652414753 . 24.44484869 . 14.52387435 . A 131 ILE HD1% A 32 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 32LeuC 131IleC ' . 1 170 194 89559167.25 . 4022638.25 . 0.7733702666 . 14.52943894 . 24.44866071 . A 32 LEU HD2% A 131 ILE CD1 A 32 LEU CD2 1 . ' 32LeuH 131IleC 32LeuC ' . 1 171 195 111652820.8 . 4890661.5 . 0.666340456 . 23.64772617 . 14.52717223 . A 131 ILE HD1% A 115 THR CG2 A 131 ILE CD1 1 . ' 131IleH 115ThrC 131IleC ' . 1 172 196 91925943.75 . 4041044.75 . 1.088930414 . 14.52821712 . 23.6427063 . A 115 THR HG2% A 131 ILE CD1 A 115 THR CG2 1 . ' 115ThrH 131IleC 115ThrC ' . 1 173 201 63892209.25 . 2753494.25 . 0.6655689009 . 16.58439774 . 14.52948294 . A 131 ILE HD1% A 119 MET CE A 131 ILE CD1 1 . ' 131IleH 119MetC 131IleC ' . 1 174 202 58172927 . 2652400 . 2.021367755 . 14.53355161 . 16.60311048 . A 119 MET HE% A 131 ILE CD1 A 119 MET CE 1 . ' 119MetH 131IleC 119MetC ' . 1 175 197 513389468 . 22544336 . 0.6657139028 . 17.54716199 . 14.53100219 . A 131 ILE HD1% A 136 VAL CG2 A 131 ILE CD1 1 . ' 131IleH 136ValC 131IleC ' . 1 176 198 506778493 . 22336444 . 0.5580761652 . 14.53037661 . 17.54723773 . A 136 VAL HG2% A 131 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 131IleC 136ValC ' . 1 177 199 151651186 . 6669172 . 0.6656553832 . 24.16255066 . 14.53754499 . A 131 ILE HD1% A 143 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 143LeuC 131IleC ' . 1 178 200 126047308.8 . 5576062 . 1.04630869 . 14.53307556 . 24.16253615 . A 143 LEU HD2% A 131 ILE CD1 A 143 LEU CD2 1 . ' 143LeuH 131IleC 143LeuC ' . 1 179 205 90103097.25 . 3860729 . 0.5588360981 . 11.53116132 . 17.55243463 . A 136 VAL HG2% A 26 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 26IleC 136ValC ' . 1 180 206 69078940.5 . 2876080.5 . 0.8938260967 . 17.55862107 . 11.52590105 . A 26 ILE HD1% A 136 VAL CG2 A 26 ILE CD1 1 . ' 26IleH 136ValC 26IleC ' . 1 181 101 169353616.5 . 7458061 . 2.023637252 . 17.55511062 . 16.60255655 . A 119 MET HE% A 136 VAL CG2 A 119 MET CE 1 . ' 119MetH 136ValC 119MetC ' . 1 182 103 110561120.8 . 4849486.5 . 0.5573050932 . 16.60404277 . 17.54875148 . A 136 VAL HG2% A 119 MET CE A 136 VAL CG2 1 . ' 136ValH 119MetC 136ValC ' . 1 183 207 48487624.5 . 2093404.75 . 0.557806239 . 22.2733028 . 17.52708668 . A 136 VAL HG2% A 122 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 122LeuC 136ValC ' . 1 184 208 37600420.62 . 1676754.375 . 0.3957519254 . 17.54581172 . 22.25477607 . A 122 LEU HD2% A 136 VAL CG2 A 122 LEU CD2 1 . ' 122LeuH 136ValC 122LeuC ' . 1 185 211 38020841.88 . 1628982 . 0.8963279735 . 25.06382555 . 12.82100224 . A 151 ILE HD1% A 103 LEU CD2 A 151 ILE CD1 1 . ' 151IleH 103LeuC 151IleC ' . 1 186 212 28245011 . 1228990.375 . 0.7934128947 . 12.83182844 . 25.03938848 . A 103 LEU HD2% A 151 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 151IleC 103LeuC ' . 1 187 214 26902039.12 . 1134476 . 0.7894418676 . 16.6001229 . 25.02554342 . A 103 LEU HD2% A 180 MET CE A 103 LEU CD2 1 . ' 103LeuH 180MetC 103LeuC ' . 1 188 215 37999434.88 . 1630938.875 . 1.805286505 . 25.06357884 . 16.58543701 . A 180 MET HE% A 103 LEU CD2 A 180 MET CE 1 . ' 180MetH 103LeuC 180MetC ' . 1 189 213 71105404.25 . 3041548 . 1.021967599 . 25.06951479 . 22.86143182 . A 184 THR HG2% A 103 LEU CD2 A 184 THR CG2 1 . ' 184ThrH 103LeuC 184ThrC ' . 1 190 136 382837352 . 16375885 . 0.7940331764 . 23.04539395 . 25.06480952 . A 103 LEU HD2% A 184 THR CG2 A 103 LEU CD2 1 . ' 103LeuH (172Val/184Thr)C 103LeuC ' . 1 191 37 39277488.62 . 1657521.625 . 0.8972972905 . 22.06101338 . 11.50523127 . A 26 ILE HD1% A 109 THR CG2 A 26 ILE CD1 1 . ' 26IleH 109ThrC 26IleC ' . 1 192 47 33367290 . 1386935.25 . 0.872122579 . 18.59879076 . 26.27750158 . A 29 LEU HD2% A 111 ALA CB A 29 LEU CD2 1 . ' 29LeuH 111AlaC 29LeuC ' . 1 193 46 25610450.12 . 1105704.75 . 1.409053977 . 26.26162332 . 18.59694812 . A 111 ALA HB% A 29 LEU CD2 A 111 ALA CB 1 . ' 111AlaH 29LeuC 111AlaC ' . 1 194 59 93801303 . 4038810 . 0.7740659367 . 23.65307788 . 24.44603613 . A 32 LEU HD2% A 115 THR CG2 A 32 LEU CD2 1 . ' 32LeuH 115ThrC 32LeuC ' . 1 195 60 62442141.12 . 2698359 . 1.088421214 . 24.4364098 . 23.63714107 . A 115 THR HG2% A 32 LEU CD2 A 115 THR CG2 1 . ' 115ThrH 32LeuC 115ThrC ' . 1 196 68 44479335.12 . 1943033.25 . 0.7757310404 . 17.5505932 . 24.43782005 . A 32 LEU HD2% A 136 VAL CG2 A 32 LEU CD2 1 . ' 32LeuH 136ValC 32LeuC ' . 1 197 69 55720405.88 . 2405622.25 . 0.5559994382 . 24.4455092 . 17.54250485 . A 136 VAL HG2% A 32 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 32LeuC 136ValC ' . 1 198 74 26850527.31 . 1216148.25 . 0.9872498633 . 14.53191065 . 20.62115779 . A 36 THR HG2% A 131 ILE CD1 A 36 THR CG2 1 . ' 36ThrH 131IleC 36ThrC ' . 1 199 75 41126490.62 . 1771516 . 0.6676286669 . 20.56537764 . 14.53321959 . A 131 ILE HD1% A 36 THR CG2 A 131 ILE CD1 1 . ' 131IleH 36ThrC 131IleC ' . 1 200 76 83821463.25 . 3393604 . 0.6826163708 . 22.22079254 . 15.11 . A 43 ILE HD1% A 122 LEU CD2 A 43 ILE CD1 1 . ' 43IleH 122LeuC 43IleC ' . 1 201 77 48309031.5 . 2110577.75 . 0.3960774294 . 15.1099593 . 22.25014293 . A 122 LEU HD2% A 43 ILE CD1 A 122 LEU CD2 1 . ' 122LeuH 43IleC 122LeuC ' . 1 202 78 45306813.38 . 1933579.375 . 0.6814227442 . 17.52553692 . 15.10460402 . A 43 ILE HD1% A 136 VAL CG2 A 43 ILE CD1 1 . ' 43IleH 136ValC 43IleC ' . 1 203 79 45864898.5 . 2012989.125 . 0.5576559605 . 15.1209981 . 17.55318736 . A 136 VAL HG2% A 43 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 43IleC 136ValC ' . 1 204 87 43237971.75 . 1896191.5 . 0.9087209561 . 17.57580604 . 22.52352284 . A 48 LEU HD2% A 98 MET CE A 48 LEU CD2 1 . ' 48LeuH 98MetC 48LeuC ' . 1 205 88 85626929.5 . 3676586.5 . 1.733134548 . 22.55472101 . 17.57422409 . A 98 MET HE% A 48 LEU CD2 A 98 MET CE 1 . ' 98MetH 48LeuC 98MetC ' . 1 206 130 29598143.56 . 1273893.375 . 0.7932095747 . 11.70448441 . 25.05860619 . A 103 LEU HD2% A 110 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 110IleC 103LeuC ' . 1 207 131 38827913.38 . 1683392.375 . 0.8100709242 . 25.07041142 . 11.7117487 . A 110 ILE HD1% A 103 LEU CD2 A 110 ILE CD1 1 . ' 110IleH 103LeuC 110IleC ' . 1 208 35 33731633.88 . 1455717.25 . 1.47527685 . 16.60173153 . 18.7833431 . A 24 ALA HB% A 119 MET CE A 24 ALA CB 1 . ' 24AlaH 119MetC 24AlaC ' . 1 209 36 71622200.5 . 3050148.5 . 2.024251735 . 18.79081067 . 16.6 . A 119 MET HE% A 24 ALA CB A 119 MET CE 1 . ' 119MetH 24AlaC 119MetC ' . 1 210 66 37912729.12 . 1669135.875 . 0.7739904889 . 19.26124887 . 24.43623851 . A 32 LEU HD2% A 126 ALA CB A 32 LEU CD2 1 . ' 32LeuH 126AlaC 32LeuC ' . 1 211 67 34632991.62 . 1514650.5 . 1.248054116 . 24.44093752 . 19.27568977 . A 126 ALA HB% A 32 LEU CD2 A 126 ALA CB 1 . ' 126AlaH 32LeuC 126AlaC ' . 1 212 116 28436207 . 1233042.5 . 1.730764507 . 14.30258341 . 17.57648726 . A 98 MET HE% A 187 ILE CD1 A 98 MET CE 1 . ' 98MetH (187Ile/59Ile)C 98MetC ' . 1 213 116 28436207 . 1233042.5 . 1.730764507 . 14.30258341 . 17.57648726 . A 98 MET HE% A 59 ILE CD1 A 98 MET CE 1 . ' 98MetH (187Ile/59Ile)C 98MetC ' . 1 214 122 36274255.12 . 1527472.5 . 0.5464016181 . 20.77947276 . 14.84958916 . A 104 ILE HG1% A 99 THR CG2 A 104 ILE CD1 1 . ' 104IleH (99Thr/19Thr)C 104IleC ' . 1 215 122 36274255.12 . 1527472.5 . 0.5464016181 . 20.77947276 . 14.84958916 . A 104 ILE HG1% A 19 THR CG2 A 104 ILE CD1 1 . ' 104IleH (99Thr/19Thr)C 104IleC ' . 1 216 39 149179559.5 . 6431188 . 1.406468548 . 11.53076187 . 18.60385795 . A 111 ALA HB% A 110 ILE CD1 A 111 ALA CB 1 . ' 111AlaH (110Ile/26Ile)C 111AlaC ' . 1 217 153 40598868.75 . 1776585.25 . 0.808645724 . 18.60724353 . 11.6985017 . A 110 ILE HD1% A 111 ALA CB A 110 ILE CD1 1 . ' 110IleH 111AlaC 110IleC ' . 1 218 154 37253599.5 . 1631962.5 . 0.8101400672 . 23.6332232 . 11.69588931 . A 110 ILE HD1% A 115 THR CG2 A 110 ILE CD1 1 . ' 110IleH 115ThrC 110IleC ' . 1 219 155 251749740.5 . 10821675 . 1.088695135 . 11.52463957 . 23.63582372 . A 115 THR HG2% A 110 ILE CD1 A 115 THR CG2 1 . ' 115ThrH (26Ile/110Ile)C 115ThrC ' . 1 220 187 26586542.44 . 1138484.125 . 0.388000597 . 18.62378022 . 22.27665157 . A 122 LEU HD2% A 124 ALA CB A 122 LEU CD2 1 . ' 122LeuH 124AlaC 122LeuC ' . 1 221 188 31607992.88 . 1362688 . 1.504957752 . 22.27606702 . 18.60256397 . A 124 ALA HB% A 122 LEU CD2 A 124 ALA CB 1 . ' 124AlaH 122LeuC 124AlaC ' . 1 222 189 27823738.25 . 1224333.5 . 1.500912395 . 16.96451968 . 18.6166014 . A 124 ALA HB% A 130 MET CE A 124 ALA CB 1 . ' 124AlaH 130MetC 124AlaC ' . 1 223 190 66137857.12 . 2954960.25 . 2.195237534 . 18.6377479 . 16.96778054 . A 130 MET HE% A 124 ALA CB A 130 MET CE 1 . ' 130MetH 124AlaC 130MetC ' . 1 224 209 30814523.38 . 1336067.75 . 0.5574321441 . 24.15390087 . 17.54259548 . A 136 VAL HG2% A 143 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 143LeuC 136ValC ' . 1 225 210 28027956.62 . 1171313.875 . 1.047318049 . 17.53801506 . 24.15976183 . A 143 LEU HD2% A 136 VAL CG2 A 143 LEU CD2 1 . ' 143LeuH 136ValC 143LeuC ' . 1 226 117 66931272.75 . 2998995.75 . 1.239414153 . 17.57698496 . 23.04700928 . A 172 VAL HG2% A 98 MET CE A 172 VAL CG2 1 . ' 172ValH 98MetC 172ValC ' . 1 227 159 49812572.62 . 2192435.5 . 1.407238685 . 16.57614598 . 18.62292924 . A 111 ALA HB% A 119 MET CE A 111 ALA CB 1 . ' 111AlaH (119Met/180Met)C 111AlaC ' . 1 228 161 81350693.5 . 3508799 . 2.022491348 . 18.63957252 . 16.60834785 . A 119 MET HE% A 111 ALA CB A 119 MET CE 1 . ' 119MetH (111Ala/124Ala)C 119MetC ' . 1 229 279 50545762.75 . 2430930 . 1.411505696 . 19.33176624 . 18.60269719 . A 111 ALA HB% A 21 ALA CB A 111 ALA CB 1 . ' 111AlaH 21AlaC 111AlaC ' . 1 230 112 24535462.75 . 1078501.75 . 1.728519986 . 16.19478287 . 17.59057635 . A 98 MET HE% A 91 ILE CD1 A 98 MET CE 1 . ' 98MetH 91IleC 98MetC ' . 1 231 113 38450024.25 . 1634429.625 . 0.8048316295 . 17.61453266 . 16.19118144 . A 91 ILE HD1% A 98 MET CE A 91 ILE CD1 1 . ' 91IleH 98MetC 91IleC ' . 1 232 114 30384320.06 . 1324028.375 . 0.8956834908 . 17.56767466 . 12.821086 . A 151 ILE HD1% A 98 MET CE A 151 ILE CD1 1 . ' 151IleH 98MetC 151IleC ' . 1 233 115 24276199.38 . 1089694.5 . 1.731220384 . 12.80621843 . 17.56656209 . A 98 MET HE% A 151 ILE CD1 A 98 MET CE 1 . ' 98MetH 151IleC 98MetC ' . 1 234 3 41868825.38 . 1816888 . 1.732501124 . 11.68416556 . 17.56408964 . A 98 MET HE% A 110 ILE CD1 A 98 MET CE 1 . ' 98MetH 110IleC 98MetC ' . 1 235 4 57850088.75 . 2528038.5 . 0.8062520088 . 17.58301591 . 11.70636018 . A 110 ILE HD1% A 98 MET CE A 110 ILE CD1 1 . ' 110IleH 98MetC 110IleC ' . 1 236 6 14116970.62 . 640321.5 . 0.5465622148 . 11.70382116 . 14.78906173 . A 104 ILE HG1% A 110 ILE CD1 A 104 ILE CD1 1 . ' 104IleH 110IleC 104IleC ' . 1 237 7 29833550 . 1276935.75 . 0.8030454774 . 14.8568574 . 11.73080271 . A 110 ILE HD1% A 104 ILE CD1 A 110 ILE CD1 1 . ' 110IleH 104IleC 110IleC ' . 1 238 9 27661065.25 . 1211453 . 0.5417649304 . 21.3119318 . 14.8177581 . A 104 ILE HG1% A 149 THR CG2 A 104 ILE CD1 1 . ' 104IleH 149ThrC 104IleC ' . 1 239 10 18253103.75 . 707620.25 . 1.484898412 . 14.84191042 . 21.3 . A 149 THR HG2% A 104 ILE CD1 A 149 THR CG2 1 . ' 149ThrH 104IleC 149ThrC ' . 1 240 11 89006690.25 . 3758571.25 . -0.870888615 . 22.85390062 . 21.40347755 . A 107 LEU HD2% A 184 THR CG2 A 107 LEU CD2 1 . ' 107LeuH 184ThrC 107LeuC ' . 1 241 12 92481783 . 3892647 . 1.023163039 . 21.35254289 . 22.86074897 . A 184 THR HG2% A 107 LEU CD2 A 184 THR CG2 1 . ' 184ThrH 107LeuC 184ThrC ' . 1 242 236 62595127.5 . 2596477.25 . -0.869919418 . 22.52398533 . 21.39023151 . A 107 LEU HD2% A 48 LEU CD2 A 107 LEU CD2 1 . ' 107LeuH 48LeuC 107LeuC ' . 1 243 238 60665472.62 . 2558442.75 . 0.9112859833 . 21.35048704 . 22.52277712 . A 48 LEU HD2% A 107 LEU CD2 A 48 LEU CD2 1 . ' 48LeuH 107LeuC 48LeuC ' . 1 244 29 89468205.5 . 3838027 . 0.6293120179 . 16.91668983 . 13.31678931 . A 33 ILE HD1% A 130 MET CE A 33 ILE CD1 1 . ' (33Ile/128Ile)H 130MetC (33Ile/128Ile)C ' . 1 245 29 89468205.5 . 3838027 . 0.6293120179 . 16.91668983 . 13.31678931 . A 33 ILE HD1% A 130 MET CE A 128 ILE CD1 1 . ' (33Ile/128Ile)H 130MetC (33Ile/128Ile)C ' . 1 246 29 89468205.5 . 3838027 . 0.6293120179 . 16.91668983 . 13.31678931 . A 128 ILE HD1% A 130 MET CE A 33 ILE CD1 1 . ' (33Ile/128Ile)H 130MetC (33Ile/128Ile)C ' . 1 247 29 89468205.5 . 3838027 . 0.6293120179 . 16.91668983 . 13.31678931 . A 128 ILE HD1% A 130 MET CE A 128 ILE CD1 1 . ' (33Ile/128Ile)H 130MetC (33Ile/128Ile)C ' . 1 248 30 50234695 . 2276141 . 2.19503955 . 13.32486441 . 16.9813434 . A 130 MET HE% A 33 ILE CD1 A 130 MET CE 1 . ' 130MetH (33Ile/128Ile)C 130MetC ' . 1 249 30 50234695 . 2276141 . 2.19503955 . 13.32486441 . 16.9813434 . A 130 MET HE% A 128 ILE CD1 A 130 MET CE 1 . ' 130MetH (33Ile/128Ile)C 130MetC ' . 1 250 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 59 ILE HD1% A 99 THR CG2 A 59 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 251 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 59 ILE HD1% A 99 THR CG2 A 187 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 252 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 59 ILE HD1% A 186 VAL CG2 A 59 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 253 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 59 ILE HD1% A 186 VAL CG2 A 187 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 254 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 187 ILE HD1% A 99 THR CG2 A 59 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 255 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 187 ILE HD1% A 99 THR CG2 A 187 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 256 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 187 ILE HD1% A 186 VAL CG2 A 59 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 257 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 187 ILE HD1% A 186 VAL CG2 A 187 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 258 24 22080001.62 . 963961.5 . 0.6626313263 . 14.24724385 . 20.84875564 . A 99 THR HG2% A 59 ILE CD1 A 99 THR CG2 1 . ' 99ThrH (187Ile/59Ile)C 99ThrC ' . 1 259 24 22080001.62 . 963961.5 . 0.6626313263 . 14.24724385 . 20.84875564 . A 99 THR HG2% A 187 ILE CD1 A 99 THR CG2 1 . ' 99ThrH (187Ile/59Ile)C 99ThrC ' . 1 260 25 32716651.19 . 1395522.625 . 1.07819159 . 14.33781665 . 20.85659795 . A 186 VAL HG2% A 59 ILE CD1 A 186 VAL CG2 1 . ' 186ValH (187Ile/59Ile)C 186ValC ' . 1 261 25 32716651.19 . 1395522.625 . 1.07819159 . 14.33781665 . 20.85659795 . A 186 VAL HG2% A 187 ILE CD1 A 186 VAL CG2 1 . ' 186ValH (187Ile/59Ile)C 186ValC ' . 1 262 82 37418334 . 1647390.625 . 0.7755412091 . 16.92031267 . 24.45312649 . A 32 LEU HD2% A 130 MET CE A 32 LEU CD2 1 . ' 32LeuH 130MetC 32LeuC ' . 1 263 83 32838703.5 . 1411258 . 2.196551476 . 24.44068712 . 16.99498124 . A 130 MET HE% A 32 LEU CD2 A 130 MET CE 1 . ' 130MetH 32LeuC 130MetC ' . 1 264 241 142337926 . 5928459.5 . -0.8725520813 . 20.88043 . 21.38863102 . A 107 LEU HD2% A 99 THR CG2 A 107 LEU CD2 1 . ' 107LeuH (99Thr/186Val)C 107LeuC ' . 1 265 241 142337926 . 5928459.5 . -0.8725520813 . 20.88043 . 21.38863102 . A 107 LEU HD2% A 186 VAL CG2 A 107 LEU CD2 1 . ' 107LeuH (99Thr/186Val)C 107LeuC ' . 1 266 242 147514511.5 . 6130790 . 1.07865438 . 21.35573514 . 20.8573126 . A 186 VAL HG2% A 107 LEU CD2 A 186 VAL CG2 1 . ' 186ValH 107LeuC 186ValC ' . 1 267 258 70279711.5 . 3053322.25 . 1.420005785 . 20.83807154 . 19.47340467 . A 152 THR HG2% A 99 THR CG2 A 152 THR CG2 1 . ' 152ThrH (99Thr/186Val)C 152ThrC ' . 1 268 258 70279711.5 . 3053322.25 . 1.420005785 . 20.83807154 . 19.47340467 . A 152 THR HG2% A 186 VAL CG2 A 152 THR CG2 1 . ' 152ThrH (99Thr/186Val)C 152ThrC ' . 1 269 259 41558711.5 . 1814730 . 1.077629131 . 19.45963922 . 20.85933003 . A 186 VAL HG2% A 152 THR CG2 A 186 VAL CG2 1 . ' 186ValH 152ThrC 186ValC ' . 1 270 260 27561142.75 . 1210969 . 0.6555016185 . 19.4912137 . 20.79967664 . A 99 THR HG2% A 152 THR CG2 A 99 THR CG2 1 . ' 99ThrH 152ThrC 99ThrC ' . 1 271 261 25957753.56 . 1188001.25 . 0.541550599 . 19.48911372 . 14.82672457 . A 104 ILE HG1% A 152 THR CG2 A 104 ILE CD1 1 . ' 104IleH 152ThrC 104IleC ' . 1 272 262 22882483.06 . 996481.375 . 1.418464578 . 14.86354571 . 19.4703365 . A 152 THR HG2% A 104 ILE CD1 A 152 THR CG2 1 . ' 152ThrH 104IleC 152ThrC ' . 1 273 266 22131772.88 . 997088.625 . 1.640708792 . 17.01057612 . 18.01265707 . A 117 ALA HB% A 130 MET CE A 117 ALA CB 1 . ' 117AlaH 130MetC 117AlaC ' . 1 274 267 72070163.38 . 3279320.5 . 2.194098663 . 17.97782266 . 16.97231875 . A 130 MET HE% A 117 ALA CB A 130 MET CE 1 . ' 130MetH 117AlaC 130MetC ' . 1 275 268 71188777.25 . 3084943 . 2.02456848 . 24.15880896 . 16.59643935 . A 119 MET HE% A 143 LEU CD2 A 119 MET CE 1 . ' 119MetH 143LeuC 119MetC ' . 1 276 269 20141913 . 853026.75 . 1.047829905 . 16.56425019 . 24.13427174 . A 143 LEU HD2% A 119 MET CE A 143 LEU CD2 1 . ' 143LeuH 119MetC 143LeuC ' . 1 277 28 29198317.69 . 1272758.75 . 1.342259454 . 13.34460654 . 16.52047659 . A 121 ALA HB% A 128 ILE CD1 A 121 ALA CB 1 . ' 121AlaH 128IleC 121AlaC ' . 1 278 203 41752340 . 1785087.625 . 0.665020082 . 16.926629 . 14.5368293 . A 131 ILE HD1% A 130 MET CE A 131 ILE CD1 1 . ' 131IleH 130MetC 131IleC ' . 1 279 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 111 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 280 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 111 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 281 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 124 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 282 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 124 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 283 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 141 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 284 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 141 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 285 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 111 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 286 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 111 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 287 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 124 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 288 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 124 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 289 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 141 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 290 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 141 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 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 . . . 4.819 . . 34758 1 2 . . C 13 C-methyl . folded 3849.115 Hz . . . 18.286 . . 34758 1 3 . . C 13 C-methyl . folded 3849.115 Hz . . . 18.286 . . 34758 1 stop_ save_