######################### # 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 51947 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'peak list 1 15N-hsqc' _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 . _Spectral_peak_list.Text_data . 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 . . N 15 N* . 'not observed' 1946.168 Hz . . . . . . 51947 1 2 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 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 3 $software_3 . . 51947 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 333954777088.000000 . height 51947 1 2 280172068864.000000 . height 51947 1 3 284023881728.000000 . height 51947 1 4 206290255872.000000 . height 51947 1 5 171686707200.000000 . height 51947 1 6 205920862208.000000 . height 51947 1 7 406275719168.000000 . height 51947 1 8 182966517760.000000 . height 51947 1 9 129582604288.000000 . height 51947 1 10 313784500224.000000 . height 51947 1 11 314510016512.000000 . height 51947 1 12 160475414528.000000 . height 51947 1 13 179094601728.000000 . height 51947 1 14 359969718272.000000 . height 51947 1 15 392929509376.000000 . height 51947 1 16 335453126656.000000 . height 51947 1 17 153718784000.000000 . height 51947 1 18 297369862144.000000 . height 51947 1 19 310260563968.000000 . height 51947 1 20 299593957376.000000 . height 51947 1 21 498055118848.000000 . height 51947 1 22 85661351936.000000 . height 51947 1 23 102795993088.000000 . height 51947 1 24 82873769984.000000 . height 51947 1 25 175964602368.000000 . height 51947 1 26 288475348992.000000 . height 51947 1 27 150610739200.000000 . height 51947 1 28 76992995328.000000 . height 51947 1 29 237531332608.000000 . height 51947 1 30 315403567104.000000 . height 51947 1 31 208903634944.000000 . height 51947 1 32 45902495744.000000 . height 51947 1 33 74881908736.000000 . height 51947 1 34 369949900800.000000 . height 51947 1 35 374955212800.000000 . height 51947 1 36 351032442880.000000 . height 51947 1 37 292955226112.000000 . height 51947 1 38 259201712128.000000 . height 51947 1 39 151705518080.000000 . height 51947 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 120.325 . . . . . . . . . . . . . 51947 1 1 2 8.074 . . . . . . . . . . . . . 51947 1 2 1 120.192 . . . . . . . . . . . . . 51947 1 2 2 8.017 . . . . . . . . . . . . . 51947 1 3 1 119.939 . . . . . . . . . . . . . 51947 1 3 2 7.962 . . . . . . . . . . . . . 51947 1 4 1 119.808 . . . . . . . . . . . . . 51947 1 4 2 7.910 . . . . . . . . . . . . . 51947 1 5 1 119.337 . . . . . . . . . . . . . 51947 1 5 2 8.006 . . . . . . . . . . . . . 51947 1 6 1 121.209 . . . . . . . . . . . . . 51947 1 6 2 8.184 . . . . . . . . . . . . . 51947 1 7 1 120.696 . . . . . . . . . . . . . 51947 1 7 2 8.215 . . . . . . . . . . . . . 51947 1 8 1 120.591 . . . . . . . . . . . . . 51947 1 8 2 8.255 . . . . . . . . . . . . . 51947 1 9 1 118.583 . . . . . . . . . . . . . 51947 1 9 2 8.133 . . . . . . . . . . . . . 51947 1 10 1 121.926 . . . . . . . . . . . . . 51947 1 10 2 8.078 . . . . . . . . . . . . . 51947 1 11 1 121.935 . . . . . . . . . . . . . 51947 1 11 2 7.951 . . . . . . . . . . . . . 51947 1 12 1 122.836 . . . . . . . . . . . . . 51947 1 12 2 7.856 . . . . . . . . . . . . . 51947 1 13 1 123.773 . . . . . . . . . . . . . 51947 1 13 2 7.901 . . . . . . . . . . . . . 51947 1 14 1 123.693 . . . . . . . . . . . . . 51947 1 14 2 7.973 . . . . . . . . . . . . . 51947 1 15 1 123.863 . . . . . . . . . . . . . 51947 1 15 2 8.289 . . . . . . . . . . . . . 51947 1 16 1 123.589 . . . . . . . . . . . . . 51947 1 16 2 8.236 . . . . . . . . . . . . . 51947 1 17 1 123.541 . . . . . . . . . . . . . 51947 1 17 2 8.198 . . . . . . . . . . . . . 51947 1 18 1 124.525 . . . . . . . . . . . . . 51947 1 18 2 8.165 . . . . . . . . . . . . . 51947 1 19 1 122.993 . . . . . . . . . . . . . 51947 1 19 2 8.326 . . . . . . . . . . . . . 51947 1 20 1 122.874 . . . . . . . . . . . . . 51947 1 20 2 8.426 . . . . . . . . . . . . . 51947 1 21 1 121.734 . . . . . . . . . . . . . 51947 1 21 2 8.364 . . . . . . . . . . . . . 51947 1 22 1 121.376 . . . . . . . . . . . . . 51947 1 22 2 8.435 . . . . . . . . . . . . . 51947 1 23 1 125.419 . . . . . . . . . . . . . 51947 1 23 2 8.126 . . . . . . . . . . . . . 51947 1 24 1 116.763 . . . . . . . . . . . . . 51947 1 24 2 8.206 . . . . . . . . . . . . . 51947 1 25 1 116.194 . . . . . . . . . . . . . 51947 1 25 2 8.121 . . . . . . . . . . . . . 51947 1 26 1 116.140 . . . . . . . . . . . . . 51947 1 26 2 8.155 . . . . . . . . . . . . . 51947 1 27 1 114.057 . . . . . . . . . . . . . 51947 1 27 2 7.739 . . . . . . . . . . . . . 51947 1 28 1 113.786 . . . . . . . . . . . . . 51947 1 28 2 8.180 . . . . . . . . . . . . . 51947 1 29 1 113.615 . . . . . . . . . . . . . 51947 1 29 2 7.872 . . . . . . . . . . . . . 51947 1 30 1 108.875 . . . . . . . . . . . . . 51947 1 30 2 8.400 . . . . . . . . . . . . . 51947 1 31 1 128.870 . . . . . . . . . . . . . 51947 1 31 2 7.550 . . . . . . . . . . . . . 51947 1 32 1 129.272 . . . . . . . . . . . . . 51947 1 32 2 10.023 . . . . . . . . . . . . . 51947 1 33 1 121.469 . . . . . . . . . . . . . 51947 1 33 2 8.086 . . . . . . . . . . . . . 51947 1 34 1 112.994 . . . . . . . . . . . . . 51947 1 34 2 7.527 . . . . . . . . . . . . . 51947 1 35 1 112.545 . . . . . . . . . . . . . 51947 1 35 2 7.482 . . . . . . . . . . . . . 51947 1 36 1 113.074 . . . . . . . . . . . . . 51947 1 36 2 6.844 . . . . . . . . . . . . . 51947 1 37 1 112.525 . . . . . . . . . . . . . 51947 1 37 2 6.758 . . . . . . . . . . . . . 51947 1 38 1 112.825 . . . . . . . . . . . . . 51947 1 38 2 7.509 . . . . . . . . . . . . . 51947 1 39 1 112.796 . . . . . . . . . . . . . 51947 1 39 2 6.813 . . . . . . . . . . . . . 51947 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 120.325 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 1 1 2 . . . 8.074 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 1 2 1 . . . 120.192 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 1 2 2 . . . 8.017 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 1 3 1 . . . 119.939 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 1 3 2 . . . 7.962 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 1 4 1 . . . 119.808 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 1 4 2 . . . 7.910 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 1 5 1 . . . 119.337 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 1 5 2 . . . 8.006 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 1 6 1 . . . 121.209 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 1 6 2 . . . 8.184 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 1 7 1 . . . 120.696 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 1 7 2 . . . 8.215 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 1 8 1 . . . 120.591 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 1 8 2 . . . 8.255 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 1 9 1 . . . 118.583 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 1 9 2 . . . 8.133 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 1 10 1 . . . 121.926 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 1 10 2 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 1 11 1 . . . 121.935 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 1 11 2 . . . 7.951 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 1 12 1 . . . 122.836 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 1 12 2 . . . 7.856 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 1 13 1 . . . 123.773 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 1 13 2 . . . 7.901 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 1 14 1 . . . 123.693 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 1 14 2 . . . 7.973 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 1 15 1 . . . 123.863 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 1 15 2 . . . 8.289 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 1 16 1 . . . 123.589 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 1 16 2 . . . 8.236 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 1 17 1 . . . 123.541 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 1 17 2 . . . 8.198 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 1 18 1 . . . 124.525 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 1 18 2 . . . 8.165 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 1 19 1 . . . 122.993 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 1 19 2 . . . 8.326 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 1 20 1 . . . 122.874 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 1 20 2 . . . 8.426 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 1 21 1 . . . 121.734 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 1 21 2 . . . 8.364 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 1 22 1 . . . 121.376 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 1 22 2 . . . 8.435 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 1 23 1 . . . 125.419 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 1 23 2 . . . 8.126 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 1 24 1 . . . 116.763 . . . . . . 393 SER N . . . . . . . . . . . . 51947 1 24 2 . . . 8.206 . . . . . . 393 SER H . . . . . . . . . . . . 51947 1 25 1 . . . 116.194 . . . . . . 388 SER N . . . . . . . . . . . . 51947 1 25 2 . . . 8.121 . . . . . . 388 SER H . . . . . . . . . . . . 51947 1 26 1 . . . 116.140 . . . . . . 376 SER N . . . . . . . . . . . . 51947 1 26 2 . . . 8.155 . . . . . . 376 SER H . . . . . . . . . . . . 51947 1 27 1 . . . 114.057 . . . . . . 398 THR N . . . . . . . . . . . . 51947 1 27 2 . . . 7.739 . . . . . . 398 THR H . . . . . . . . . . . . 51947 1 28 1 . . . 113.786 . . . . . . 367 THR N . . . . . . . . . . . . 51947 1 28 2 . . . 8.180 . . . . . . 367 THR H . . . . . . . . . . . . 51947 1 29 1 . . . 113.615 . . . . . . 373 THR N . . . . . . . . . . . . 51947 1 29 2 . . . 7.872 . . . . . . 373 THR H . . . . . . . . . . . . 51947 1 30 1 . . . 108.875 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 1 30 2 . . . 8.400 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 1 31 1 . . . 128.870 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 1 31 2 . . . 7.550 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 1 32 1 . . . 129.272 . . . . . . 399 TRP NE1 . . . . . . . . . . . . 51947 1 32 2 . . . 10.023 . . . . . . 399 TRP HE1 . . . . . . . . . . . . 51947 1 33 1 . . . 121.469 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 1 33 2 . . . 8.086 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 1 34 1 . . . 112.994 . . . . . . . . . . . . . . . . . . . . . 51947 1 34 2 . . . 7.527 . . . . . . . . . . . . . . . . . . . . . 51947 1 35 1 . . . 112.545 . . . . . . . . . . . . . . . . . . . . . 51947 1 35 2 . . . 7.482 . . . . . . . . . . . . . . . . . . . . . 51947 1 36 1 . . . 113.074 . . . . . . . . . . . . . . . . . . . . . 51947 1 36 2 . . . 6.844 . . . . . . . . . . . . . . . . . . . . . 51947 1 37 1 . . . 112.525 . . . . . . . . . . . . . . . . . . . . . 51947 1 37 2 . . . 6.758 . . . . . . . . . . . . . . . . . . . . . 51947 1 38 1 . . . 112.825 . . . . . . . . . . . . . . . . . . . . . 51947 1 38 2 . . . 7.509 . . . . . . . . . . . . . . . . . . . . . 51947 1 39 1 . . . 112.796 . . . . . . . . . . . . . . . . . . . . . 51947 1 39 2 . . . 6.813 . . . . . . . . . . . . . . . . . . . . . 51947 1 stop_ loop_ _Peak_row_format.Index_ID _Peak_row_format.ID _Peak_row_format.Peak_ID _Peak_row_format.Volume _Peak_row_format.Volume_uncertainty _Peak_row_format.Height _Peak_row_format.Height_uncertainty _Peak_row_format.Figure_of_merit _Peak_row_format.Restraint _Peak_row_format.Position_1 _Peak_row_format.Position_uncertainty_1 _Peak_row_format.Position_2 _Peak_row_format.Position_uncertainty_2 _Peak_row_format.Position_3 _Peak_row_format.Position_uncertainty_3 _Peak_row_format.Position_4 _Peak_row_format.Position_uncertainty_4 _Peak_row_format.Entity_assembly_ID_1 _Peak_row_format.Entity_ID_1 _Peak_row_format.Comp_index_ID_1 _Peak_row_format.Seq_ID_1 _Peak_row_format.Comp_ID_1 _Peak_row_format.Atom_ID_1 _Peak_row_format.Ambiguity_code_1 _Peak_row_format.Ambiguity_set_ID_1 _Peak_row_format.Entity_assembly_ID_2 _Peak_row_format.Entity_ID_2 _Peak_row_format.Comp_index_ID_2 _Peak_row_format.Seq_ID_2 _Peak_row_format.Comp_ID_2 _Peak_row_format.Atom_ID_2 _Peak_row_format.Ambiguity_code_2 _Peak_row_format.Ambiguity_set_ID_2 _Peak_row_format.Entity_assembly_ID_3 _Peak_row_format.Entity_ID_3 _Peak_row_format.Comp_index_ID_3 _Peak_row_format.Seq_ID_3 _Peak_row_format.Comp_ID_3 _Peak_row_format.Atom_ID_3 _Peak_row_format.Ambiguity_code_3 _Peak_row_format.Ambiguity_set_ID_3 _Peak_row_format.Entity_assembly_ID_4 _Peak_row_format.Entity_ID_4 _Peak_row_format.Comp_index_ID_4 _Peak_row_format.Seq_ID_4 _Peak_row_format.Comp_ID_4 _Peak_row_format.Atom_ID_4 _Peak_row_format.Ambiguity_code_4 _Peak_row_format.Ambiguity_set_ID_4 _Peak_row_format.Entry_ID _Peak_row_format.Spectral_peak_list_ID . 1 . . . 333954777088.000000 . . . 120.325 . 8.074 . . . . . . . 383 . PHE N . . . . 383 . PHE H . . . . . . . . . . . . . . . . . . 51947 1 . 10 . . . 313784500224.000000 . . . 121.926 . 8.078 . . . . . . . 382 . LEU N . . . . 382 . LEU H . . . . . . . . . . . . . . . . . . 51947 1 . 11 . . . 314510016512.000000 . . . 121.935 . 7.951 . . . . . . . 379 . LEU N . . . . 379 . LEU H . . . . . . . . . . . . . . . . . . 51947 1 . 12 . . . 160475414528.000000 . . . 122.836 . 7.856 . . . . . . . 399 . TRP N . . . . 399 . TRP H . . . . . . . . . . . . . . . . . . 51947 1 . 13 . . . 179094601728.000000 . . . 123.773 . 7.901 . . . . . . . 397 . LEU N . . . . 397 . LEU H . . . . . . . . . . . . . . . . . . 51947 1 . 14 . . . 359969718272.000000 . . . 123.693 . 7.973 . . . . . . . 380 . ILE N . . . . 380 . ILE H . . . . . . . . . . . . . . . . . . 51947 1 . 15 . . . 392929509376.000000 . . . 123.863 . 8.289 . . . . . . . 370 . ASP N . . . . 370 . ASP H . . . . . . . . . . . . . . . . . . 51947 1 . 16 . . . 335453126656.000000 . . . 123.589 . 8.236 . . . . . . . 371 . LEU N . . . . 371 . LEU H . . . . . . . . . . . . . . . . . . 51947 1 . 17 . . . 153718784000.000000 . . . 123.541 . 8.198 . . . . . . . 394 . GLU N . . . . 394 . GLU H . . . . . . . . . . . . . . . . . . 51947 1 . 18 . . . 297369862144.000000 . . . 124.525 . 8.165 . . . . . . . 374 . LEU N . . . . 374 . LEU H . . . . . . . . . . . . . . . . . . 51947 1 . 19 . . . 310260563968.000000 . . . 122.993 . 8.326 . . . . . . . 387 . GLU N . . . . 387 . GLU H . . . . . . . . . . . . . . . . . . 51947 1 . 2 . . . 280172068864.000000 . . . 120.192 . 8.017 . . . . . . . 369 . VAL N . . . . 369 . VAL H . . . . . . . . . . . . . . . . . . 51947 1 . 20 . . . 299593957376.000000 . . . 122.874 . 8.426 . . . . . . . 377 . GLU N . . . . 377 . GLU H . . . . . . . . . . . . . . . . . . 51947 1 . 21 . . . 498055118848.000000 . . . 121.734 . 8.364 . . . . . . . 375 . GLU N . . . . 375 . GLU H . . . . . . . . . . . . . . . . . . 51947 1 . 22 . . . 85661351936.000000 . . . 121.376 . 8.435 . . . . . . . 368 . ASN N . . . . 368 . ASN H . . . . . . . . . . . . . . . . . . 51947 1 . 23 . . . 102795993088.000000 . . . 125.419 . 8.126 . . . . . . . 389 . ALA N . . . . 389 . ALA H . . . . . . . . . . . . . . . . . . 51947 1 . 24 . . . 82873769984.000000 . . . 116.763 . 8.206 . . . . . . . 393 . SER N . . . . 393 . SER H . . . . . . . . . . . . . . . . . . 51947 1 . 25 . . . 175964602368.000000 . . . 116.194 . 8.121 . . . . . . . 388 . SER N . . . . 388 . SER H . . . . . . . . . . . . . . . . . . 51947 1 . 26 . . . 288475348992.000000 . . . 116.140 . 8.155 . . . . . . . 376 . SER N . . . . 376 . SER H . . . . . . . . . . . . . . . . . . 51947 1 . 27 . . . 150610739200.000000 . . . 114.057 . 7.739 . . . . . . . 398 . THR N . . . . 398 . THR H . . . . . . . . . . . . . . . . . . 51947 1 . 28 . . . 76992995328.000000 . . . 113.786 . 8.180 . . . . . . . 367 . THR N . . . . 367 . THR H . . . . . . . . . . . . . . . . . . 51947 1 . 29 . . . 237531332608.000000 . . . 113.615 . 7.872 . . . . . . . 373 . THR N . . . . 373 . THR H . . . . . . . . . . . . . . . . . . 51947 1 . 3 . . . 284023881728.000000 . . . 119.939 . 7.962 . . . . . . . 386 . VAL N . . . . 386 . VAL H . . . . . . . . . . . . . . . . . . 51947 1 . 30 . . . 315403567104.000000 . . . 108.875 . 8.400 . . . . . . . 372 . GLY N . . . . 372 . GLY H . . . . . . . . . . . . . . . . . . 51947 1 . 31 . . . 208903634944.000000 . . . 128.870 . 7.550 . . . . . . . 400 . LEU N . . . . 400 . LEU H . . . . . . . . . . . . . . . . . . 51947 1 . 32 . . . 45902495744.000000 . . . 129.272 . 10.023 . . . . . . . 399 . TRP NE1 . . . . 399 . TRP HE1 . . . . . . . . . . . . . . . . . . 51947 1 . 33 . . . 74881908736.000000 . . . 121.469 . 8.086 . . . . . . . 392 . LYS N . . . . 392 . LYS H . . . . . . . . . . . . . . . . . . 51947 1 . 34 . . . 369949900800.000000 . . . 112.994 . 7.527 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1 . 35 . . . 374955212800.000000 . . . 112.545 . 7.482 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1 . 36 . . . 351032442880.000000 . . . 113.074 . 6.844 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1 . 37 . . . 292955226112.000000 . . . 112.525 . 6.758 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1 . 38 . . . 259201712128.000000 . . . 112.825 . 7.509 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1 . 39 . . . 151705518080.000000 . . . 112.796 . 6.813 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1 . 4 . . . 206290255872.000000 . . . 119.808 . 7.910 . . . . . . . 390 . LEU N . . . . 390 . LEU H . . . . . . . . . . . . . . . . . . 51947 1 . 5 . . . 171686707200.000000 . . . 119.337 . 8.006 . . . . . . . 396 . PHE N . . . . 396 . PHE H . . . . . . . . . . . . . . . . . . 51947 1 . 6 . . . 205920862208.000000 . . . 121.209 . 8.184 . . . . . . . 385 . ASP N . . . . 385 . ASP H . . . . . . . . . . . . . . . . . . 51947 1 . 7 . . . 406275719168.000000 . . . 120.696 . 8.215 . . . . . . . 378 . ASP N . . . . 378 . ASP H . . . . . . . . . . . . . . . . . . 51947 1 . 8 . . . 182966517760.000000 . . . 120.591 . 8.255 . . . . . . . 384 . ASN N . . . . 384 . ASN H . . . . . . . . . . . . . . . . . . 51947 1 . 9 . . . 129582604288.000000 . . . 118.583 . 8.133 . . . . . . . 391 . ASN N . . . . 391 . ASN H . . . . . . . . . . . . . . . . . . 51947 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 51947 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name 'peak list 2 cbcanh scrub' _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 2 _Spectral_peak_list.Experiment_name '3D CBCANH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 . . N 15 N* . 'not observed' 2682 Hz . . . . . . 51947 2 2 . . C 13 C* . 'not observed' 12000 Hz . . . . . . 51947 2 3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 2 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 3 $software_3 . . 51947 2 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 7687564165120.000000 . height 51947 2 2 2296785141760.000000 . height 51947 2 3 -2406346653696.000000 . height 51947 2 4 1095838531584.000000 . height 51947 2 5 -3128287035392.000000 . height 51947 2 6 1413591072768.000000 . height 51947 2 7 2428720906240.000000 . height 51947 2 8 798331961344.000000 . height 51947 2 9 -1678628880384.000000 . height 51947 2 10 72888852480.000000 . height 51947 2 11 116553506816.000000 . height 51947 2 12 0.0 . height 51947 2 13 0.0 . height 51947 2 14 -149395193856.000000 . height 51947 2 15 112502571008.000000 . height 51947 2 16 -88498061312.000000 . height 51947 2 17 -506717274112.000000 . height 51947 2 18 479210635264.000000 . height 51947 2 19 -140732268544.000000 . height 51947 2 20 -235151736832.000000 . height 51947 2 21 1114410582016.000000 . height 51947 2 22 -1896419950592.000000 . height 51947 2 23 -229121867776.000000 . height 51947 2 24 67157028864.000000 . height 51947 2 25 68660252672.000000 . height 51947 2 26 -49615609856.000000 . height 51947 2 27 1844038729728.000000 . height 51947 2 28 -968610283520.000000 . height 51947 2 29 -111901982720.000000 . height 51947 2 30 -434520621056.000000 . height 51947 2 31 314145341440.000000 . height 51947 2 32 340834484224.000000 . height 51947 2 33 -175950512128.000000 . height 51947 2 34 -474840498176.000000 . height 51947 2 35 143117025280.000000 . height 51947 2 36 149006974976.000000 . height 51947 2 37 93221502976.000000 . height 51947 2 38 112149315584.000000 . height 51947 2 39 77487669248.000000 . height 51947 2 40 -126998978560.000000 . height 51947 2 41 -192011075584.000000 . height 51947 2 42 113718968320.000000 . height 51947 2 43 72341225472.000000 . height 51947 2 44 -60537298944.000000 . height 51947 2 45 449353449472.000000 . height 51947 2 46 -610077704192.000000 . height 51947 2 47 -363472846848.000000 . height 51947 2 48 334870708224.000000 . height 51947 2 49 2379289722880.000000 . height 51947 2 50 121946849280.000000 . height 51947 2 51 -2441433317376.000000 . height 51947 2 52 -158519721984.000000 . height 51947 2 53 1972145094656.000000 . height 51947 2 54 -1952189120512.000000 . height 51947 2 55 -649161998336.000000 . height 51947 2 56 933180604416.000000 . height 51947 2 57 46643376128.000000 . height 51947 2 58 140276203520.000000 . height 51947 2 59 114959843328.000000 . height 51947 2 60 -169374138368.000000 . height 51947 2 61 -332676988928.000000 . height 51947 2 62 97301585920.000000 . height 51947 2 63 152754831360.000000 . height 51947 2 64 -131256696832.000000 . height 51947 2 65 -271097495552.000000 . height 51947 2 66 141034045440.000000 . height 51947 2 67 101503836160.000000 . height 51947 2 68 -63781277696.000000 . height 51947 2 69 -158685495296.000000 . height 51947 2 70 -97566089216.000000 . height 51947 2 71 -87999307776.000000 . height 51947 2 72 80269148160.000000 . height 51947 2 73 77856628736.000000 . height 51947 2 74 -2026430791680.000000 . height 51947 2 75 111166881792.000000 . height 51947 2 76 -101642436608.000000 . height 51947 2 77 794539327488.000000 . height 51947 2 78 -1037317570560.000000 . height 51947 2 79 994261598208.000000 . height 51947 2 80 582427803648.000000 . height 51947 2 81 -2340752457728.000000 . height 51947 2 82 -3076749000704.000000 . height 51947 2 83 -928425443328.000000 . height 51947 2 84 -1265375379456.000000 . height 51947 2 85 2227707576320.000000 . height 51947 2 86 2712904400896.000000 . height 51947 2 87 -120934473728.000000 . height 51947 2 88 93247430656.000000 . height 51947 2 89 0.0 . height 51947 2 90 2351563538432.000000 . height 51947 2 91 -2321569021952.000000 . height 51947 2 92 111092498432.000000 . height 51947 2 93 0.0 . height 51947 2 94 -188249079808.000000 . height 51947 2 95 100601290752.000000 . height 51947 2 96 -238961524736.000000 . height 51947 2 97 117077557248.000000 . height 51947 2 98 89626886144.000000 . height 51947 2 99 -256078725120.000000 . height 51947 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 108.838 . . . . . . . . . . . . . 51947 2 1 2 42.558 . . . . . . . . . . . . . 51947 2 1 3 8.400 . . . . . . . . . . . . . 51947 2 2 1 113.717 . . . . . . . . . . . . . 51947 2 2 2 42.371 . . . . . . . . . . . . . 51947 2 2 3 8.187 . . . . . . . . . . . . . 51947 2 3 1 113.807 . . . . . . . . . . . . . 51947 2 3 2 58.711 . . . . . . . . . . . . . 51947 2 3 3 8.186 . . . . . . . . . . . . . 51947 2 4 1 113.867 . . . . . . . . . . . . . 51947 2 4 2 66.617 . . . . . . . . . . . . . 51947 2 4 3 8.187 . . . . . . . . . . . . . 51947 2 5 1 113.589 . . . . . . . . . . . . . 51947 2 5 2 58.839 . . . . . . . . . . . . . 51947 2 5 3 7.871 . . . . . . . . . . . . . 51947 2 6 1 113.579 . . . . . . . . . . . . . 51947 2 6 2 66.683 . . . . . . . . . . . . . 51947 2 6 3 7.876 . . . . . . . . . . . . . 51947 2 7 1 113.593 . . . . . . . . . . . . . 51947 2 7 2 42.578 . . . . . . . . . . . . . 51947 2 7 3 7.872 . . . . . . . . . . . . . 51947 2 8 1 114.054 . . . . . . . . . . . . . 51947 2 8 2 66.740 . . . . . . . . . . . . . 51947 2 8 3 7.739 . . . . . . . . . . . . . 51947 2 9 1 114.057 . . . . . . . . . . . . . 51947 2 9 2 58.621 . . . . . . . . . . . . . 51947 2 9 3 7.739 . . . . . . . . . . . . . 51947 2 10 1 128.894 . . . . . . . . . . . . . 51947 2 10 2 40.509 . . . . . . . . . . . . . 51947 2 10 3 7.552 . . . . . . . . . . . . . 51947 2 11 1 128.918 . . . . . . . . . . . . . 51947 2 11 2 26.496 . . . . . . . . . . . . . 51947 2 11 3 7.552 . . . . . . . . . . . . . 51947 2 12 1 125.454 . . . . . . . . . . . . . 51947 2 12 2 16.226 . . . . . . . . . . . . . 51947 2 12 3 8.130 . . . . . . . . . . . . . 51947 2 13 1 125.431 . . . . . . . . . . . . . 51947 2 13 2 49.835 . . . . . . . . . . . . . 51947 2 13 3 8.130 . . . . . . . . . . . . . 51947 2 14 1 124.572 . . . . . . . . . . . . . 51947 2 14 2 58.770 . . . . . . . . . . . . . 51947 2 14 3 8.167 . . . . . . . . . . . . . 51947 2 15 1 124.587 . . . . . . . . . . . . . 51947 2 15 2 39.497 . . . . . . . . . . . . . 51947 2 15 3 8.166 . . . . . . . . . . . . . 51947 2 16 1 124.584 . . . . . . . . . . . . . 51947 2 16 2 52.266 . . . . . . . . . . . . . 51947 2 16 3 8.164 . . . . . . . . . . . . . 51947 2 17 1 123.891 . . . . . . . . . . . . . 51947 2 17 2 51.150 . . . . . . . . . . . . . 51947 2 17 3 8.288 . . . . . . . . . . . . . 51947 2 18 1 123.891 . . . . . . . . . . . . . 51947 2 18 2 38.222 . . . . . . . . . . . . . 51947 2 18 3 8.289 . . . . . . . . . . . . . 51947 2 19 1 123.887 . . . . . . . . . . . . . 51947 2 19 2 59.255 . . . . . . . . . . . . . 51947 2 19 3 8.289 . . . . . . . . . . . . . 51947 2 20 1 123.626 . . . . . . . . . . . . . 51947 2 20 2 51.155 . . . . . . . . . . . . . 51947 2 20 3 8.235 . . . . . . . . . . . . . 51947 2 21 1 123.529 . . . . . . . . . . . . . 51947 2 21 2 26.834 . . . . . . . . . . . . . 51947 2 21 3 8.195 . . . . . . . . . . . . . 51947 2 22 1 123.534 . . . . . . . . . . . . . 51947 2 22 2 51.385 . . . . . . . . . . . . . 51947 2 22 3 8.193 . . . . . . . . . . . . . 51947 2 23 1 123.724 . . . . . . . . . . . . . 51947 2 23 2 55.798 . . . . . . . . . . . . . 51947 2 23 3 7.972 . . . . . . . . . . . . . 51947 2 24 1 123.794 . . . . . . . . . . . . . 51947 2 24 2 35.214 . . . . . . . . . . . . . 51947 2 24 3 7.973 . . . . . . . . . . . . . 51947 2 25 1 123.902 . . . . . . . . . . . . . 51947 2 25 2 39.269 . . . . . . . . . . . . . 51947 2 25 3 7.904 . . . . . . . . . . . . . 51947 2 26 1 123.832 . . . . . . . . . . . . . 51947 2 26 2 51.957 . . . . . . . . . . . . . 51947 2 26 3 7.905 . . . . . . . . . . . . . 51947 2 27 1 122.845 . . . . . . . . . . . . . 51947 2 27 2 26.528 . . . . . . . . . . . . . 51947 2 27 3 7.859 . . . . . . . . . . . . . 51947 2 28 1 122.841 . . . . . . . . . . . . . 51947 2 28 2 53.859 . . . . . . . . . . . . . 51947 2 28 3 7.875 . . . . . . . . . . . . . 51947 2 29 1 123.013 . . . . . . . . . . . . . 51947 2 29 2 59.918 . . . . . . . . . . . . . 51947 2 29 3 8.327 . . . . . . . . . . . . . 51947 2 30 1 123.021 . . . . . . . . . . . . . 51947 2 30 2 54.145 . . . . . . . . . . . . . 51947 2 30 3 8.327 . . . . . . . . . . . . . 51947 2 31 1 123.024 . . . . . . . . . . . . . 51947 2 31 2 26.968 . . . . . . . . . . . . . 51947 2 31 3 8.327 . . . . . . . . . . . . . 51947 2 32 1 122.924 . . . . . . . . . . . . . 51947 2 32 2 27.155 . . . . . . . . . . . . . 51947 2 32 3 8.428 . . . . . . . . . . . . . 51947 2 33 1 122.879 . . . . . . . . . . . . . 51947 2 33 2 55.377 . . . . . . . . . . . . . 51947 2 33 3 8.428 . . . . . . . . . . . . . 51947 2 34 1 122.905 . . . . . . . . . . . . . 51947 2 34 2 53.781 . . . . . . . . . . . . . 51947 2 34 3 8.427 . . . . . . . . . . . . . 51947 2 35 1 122.980 . . . . . . . . . . . . . 51947 2 35 2 60.864 . . . . . . . . . . . . . 51947 2 35 3 8.427 . . . . . . . . . . . . . 51947 2 36 1 121.928 . . . . . . . . . . . . . 51947 2 36 2 38.030 . . . . . . . . . . . . . 51947 2 36 3 7.951 . . . . . . . . . . . . . 51947 2 37 1 121.947 . . . . . . . . . . . . . 51947 2 37 2 39.236 . . . . . . . . . . . . . 51947 2 37 3 7.948 . . . . . . . . . . . . . 51947 2 38 1 121.975 . . . . . . . . . . . . . 51947 2 38 2 28.934 . . . . . . . . . . . . . 51947 2 38 3 8.078 . . . . . . . . . . . . . 51947 2 39 1 122.001 . . . . . . . . . . . . . 51947 2 39 2 39.503 . . . . . . . . . . . . . 51947 2 39 3 8.078 . . . . . . . . . . . . . 51947 2 40 1 121.979 . . . . . . . . . . . . . 51947 2 40 2 60.054 . . . . . . . . . . . . . 51947 2 40 3 8.078 . . . . . . . . . . . . . 51947 2 41 1 121.541 . . . . . . . . . . . . . 51947 2 41 2 53.303 . . . . . . . . . . . . . 51947 2 41 3 8.087 . . . . . . . . . . . . . 51947 2 42 1 121.537 . . . . . . . . . . . . . 51947 2 42 2 29.938 . . . . . . . . . . . . . 51947 2 42 3 8.088 . . . . . . . . . . . . . 51947 2 43 1 121.468 . . . . . . . . . . . . . 51947 2 43 2 35.862 . . . . . . . . . . . . . 51947 2 43 3 8.087 . . . . . . . . . . . . . 51947 2 44 1 121.501 . . . . . . . . . . . . . 51947 2 44 2 50.259 . . . . . . . . . . . . . 51947 2 44 3 8.088 . . . . . . . . . . . . . 51947 2 45 1 121.759 . . . . . . . . . . . . . 51947 2 45 2 27.119 . . . . . . . . . . . . . 51947 2 45 3 8.365 . . . . . . . . . . . . . 51947 2 46 1 121.752 . . . . . . . . . . . . . 51947 2 46 2 53.626 . . . . . . . . . . . . . 51947 2 46 3 8.365 . . . . . . . . . . . . . 51947 2 47 1 121.390 . . . . . . . . . . . . . 51947 2 47 2 50.354 . . . . . . . . . . . . . 51947 2 47 3 8.431 . . . . . . . . . . . . . 51947 2 48 1 121.403 . . . . . . . . . . . . . 51947 2 48 2 35.851 . . . . . . . . . . . . . 51947 2 48 3 8.432 . . . . . . . . . . . . . 51947 2 49 1 121.279 . . . . . . . . . . . . . 51947 2 49 2 38.036 . . . . . . . . . . . . . 51947 2 49 3 8.186 . . . . . . . . . . . . . 51947 2 50 1 121.258 . . . . . . . . . . . . . 51947 2 50 2 36.173 . . . . . . . . . . . . . 51947 2 50 3 8.185 . . . . . . . . . . . . . 51947 2 51 1 121.278 . . . . . . . . . . . . . 51947 2 51 2 51.374 . . . . . . . . . . . . . 51947 2 51 3 8.184 . . . . . . . . . . . . . 51947 2 52 1 120.729 . . . . . . . . . . . . . 51947 2 52 2 53.954 . . . . . . . . . . . . . 51947 2 52 3 8.219 . . . . . . . . . . . . . 51947 2 53 1 120.684 . . . . . . . . . . . . . 51947 2 53 2 38.029 . . . . . . . . . . . . . 51947 2 53 3 8.226 . . . . . . . . . . . . . 51947 2 54 1 120.608 . . . . . . . . . . . . . 51947 2 54 2 51.391 . . . . . . . . . . . . . 51947 2 54 3 8.226 . . . . . . . . . . . . . 51947 2 55 1 120.417 . . . . . . . . . . . . . 51947 2 55 2 54.201 . . . . . . . . . . . . . 51947 2 55 3 8.065 . . . . . . . . . . . . . 51947 2 56 1 120.338 . . . . . . . . . . . . . 51947 2 56 2 36.497 . . . . . . . . . . . . . 51947 2 56 3 8.073 . . . . . . . . . . . . . 51947 2 57 1 120.430 . . . . . . . . . . . . . 51947 2 57 2 39.735 . . . . . . . . . . . . . 51947 2 57 3 8.075 . . . . . . . . . . . . . 51947 2 58 1 120.225 . . . . . . . . . . . . . 51947 2 58 2 35.804 . . . . . . . . . . . . . 51947 2 58 3 8.019 . . . . . . . . . . . . . 51947 2 59 1 120.204 . . . . . . . . . . . . . 51947 2 59 2 29.583 . . . . . . . . . . . . . 51947 2 59 3 8.018 . . . . . . . . . . . . . 51947 2 60 1 120.210 . . . . . . . . . . . . . 51947 2 60 2 50.270 . . . . . . . . . . . . . 51947 2 60 3 8.020 . . . . . . . . . . . . . 51947 2 61 1 120.199 . . . . . . . . . . . . . 51947 2 61 2 59.263 . . . . . . . . . . . . . 51947 2 61 3 8.020 . . . . . . . . . . . . . 51947 2 62 1 119.988 . . . . . . . . . . . . . 51947 2 62 2 29.421 . . . . . . . . . . . . . 51947 2 62 3 7.963 . . . . . . . . . . . . . 51947 2 63 1 119.961 . . . . . . . . . . . . . 51947 2 63 2 37.992 . . . . . . . . . . . . . 51947 2 63 3 7.964 . . . . . . . . . . . . . 51947 2 64 1 119.958 . . . . . . . . . . . . . 51947 2 64 2 51.360 . . . . . . . . . . . . . 51947 2 64 3 7.964 . . . . . . . . . . . . . 51947 2 65 1 119.962 . . . . . . . . . . . . . 51947 2 65 2 59.900 . . . . . . . . . . . . . 51947 2 65 3 7.965 . . . . . . . . . . . . . 51947 2 66 1 119.811 . . . . . . . . . . . . . 51947 2 66 2 16.155 . . . . . . . . . . . . . 51947 2 66 3 7.910 . . . . . . . . . . . . . 51947 2 67 1 119.791 . . . . . . . . . . . . . 51947 2 67 2 39.275 . . . . . . . . . . . . . 51947 2 67 3 7.909 . . . . . . . . . . . . . 51947 2 68 1 119.780 . . . . . . . . . . . . . 51947 2 68 2 52.381 . . . . . . . . . . . . . 51947 2 68 3 7.908 . . . . . . . . . . . . . 51947 2 69 1 119.822 . . . . . . . . . . . . . 51947 2 69 2 49.801 . . . . . . . . . . . . . 51947 2 69 3 7.910 . . . . . . . . . . . . . 51947 2 70 1 119.337 . . . . . . . . . . . . . 51947 2 70 2 60.310 . . . . . . . . . . . . . 51947 2 70 3 8.009 . . . . . . . . . . . . . 51947 2 71 1 119.307 . . . . . . . . . . . . . 51947 2 71 2 54.309 . . . . . . . . . . . . . 51947 2 71 3 8.009 . . . . . . . . . . . . . 51947 2 72 1 119.342 . . . . . . . . . . . . . 51947 2 72 2 36.158 . . . . . . . . . . . . . 51947 2 72 3 8.004 . . . . . . . . . . . . . 51947 2 73 1 119.325 . . . . . . . . . . . . . 51947 2 73 2 28.816 . . . . . . . . . . . . . 51947 2 73 3 8.007 . . . . . . . . . . . . . 51947 2 74 1 118.697 . . . . . . . . . . . . . 51947 2 74 2 50.162 . . . . . . . . . . . . . 51947 2 74 3 8.135 . . . . . . . . . . . . . 51947 2 75 1 116.785 . . . . . . . . . . . . . 51947 2 75 2 30.178 . . . . . . . . . . . . . 51947 2 75 3 8.210 . . . . . . . . . . . . . 51947 2 76 1 116.739 . . . . . . . . . . . . . 51947 2 76 2 53.465 . . . . . . . . . . . . . 51947 2 76 3 8.210 . . . . . . . . . . . . . 51947 2 77 1 116.804 . . . . . . . . . . . . . 51947 2 77 2 60.701 . . . . . . . . . . . . . 51947 2 77 3 8.196 . . . . . . . . . . . . . 51947 2 78 1 116.807 . . . . . . . . . . . . . 51947 2 78 2 55.139 . . . . . . . . . . . . . 51947 2 78 3 8.195 . . . . . . . . . . . . . 51947 2 79 1 116.121 . . . . . . . . . . . . . 51947 2 79 2 27.160 . . . . . . . . . . . . . 51947 2 79 3 8.150 . . . . . . . . . . . . . 51947 2 80 1 116.127 . . . . . . . . . . . . . 51947 2 80 2 26.865 . . . . . . . . . . . . . 51947 2 80 3 8.118 . . . . . . . . . . . . . 51947 2 81 1 116.246 . . . . . . . . . . . . . 51947 2 81 2 55.807 . . . . . . . . . . . . . 51947 2 81 3 8.123 . . . . . . . . . . . . . 51947 2 82 1 116.121 . . . . . . . . . . . . . 51947 2 82 2 55.350 . . . . . . . . . . . . . 51947 2 82 3 8.153 . . . . . . . . . . . . . 51947 2 83 1 116.134 . . . . . . . . . . . . . 51947 2 83 2 54.170 . . . . . . . . . . . . . 51947 2 83 3 8.118 . . . . . . . . . . . . . 51947 2 84 1 116.123 . . . . . . . . . . . . . 51947 2 84 2 53.560 . . . . . . . . . . . . . 51947 2 84 3 8.155 . . . . . . . . . . . . . 51947 2 85 1 116.246 . . . . . . . . . . . . . 51947 2 85 2 60.710 . . . . . . . . . . . . . 51947 2 85 3 8.124 . . . . . . . . . . . . . 51947 2 86 1 116.145 . . . . . . . . . . . . . 51947 2 86 2 60.705 . . . . . . . . . . . . . 51947 2 86 3 8.153 . . . . . . . . . . . . . 51947 2 87 1 121.410 . . . . . . . . . . . . . 51947 2 87 2 58.536 . . . . . . . . . . . . . 51947 2 87 3 8.432 . . . . . . . . . . . . . 51947 2 88 1 121.435 . . . . . . . . . . . . . 51947 2 88 2 66.664 . . . . . . . . . . . . . 51947 2 88 3 8.432 . . . . . . . . . . . . . 51947 2 89 1 118.697 . . . . . . . . . . . . . 51947 2 89 2 35.787 . . . . . . . . . . . . . 51947 2 89 3 8.132 . . . . . . . . . . . . . 51947 2 90 1 120.601 . . . . . . . . . . . . . 51947 2 90 2 36.180 . . . . . . . . . . . . . 51947 2 90 3 8.261 . . . . . . . . . . . . . 51947 2 91 1 120.601 . . . . . . . . . . . . . 51947 2 91 2 50.120 . . . . . . . . . . . . . 51947 2 91 3 8.261 . . . . . . . . . . . . . 51947 2 92 1 120.734 . . . . . . . . . . . . . 51947 2 92 2 27.092 . . . . . . . . . . . . . 51947 2 92 3 8.219 . . . . . . . . . . . . . 51947 2 93 1 120.341 . . . . . . . . . . . . . 51947 2 93 2 52.016 . . . . . . . . . . . . . 51947 2 93 3 8.071 . . . . . . . . . . . . . 51947 2 94 1 112.384 . . . . . . . . . . . . . 51947 2 94 2 35.637 . . . . . . . . . . . . . 51947 2 94 3 6.826 . . . . . . . . . . . . . 51947 2 95 1 112.402 . . . . . . . . . . . . . 51947 2 95 2 50.259 . . . . . . . . . . . . . 51947 2 95 3 6.826 . . . . . . . . . . . . . 51947 2 96 1 112.406 . . . . . . . . . . . . . 51947 2 96 2 35.755 . . . . . . . . . . . . . 51947 2 96 3 6.853 . . . . . . . . . . . . . 51947 2 97 1 112.330 . . . . . . . . . . . . . 51947 2 97 2 50.155 . . . . . . . . . . . . . 51947 2 97 3 6.855 . . . . . . . . . . . . . 51947 2 98 1 112.159 . . . . . . . . . . . . . 51947 2 98 2 50.137 . . . . . . . . . . . . . 51947 2 98 3 6.753 . . . . . . . . . . . . . 51947 2 99 1 112.028 . . . . . . . . . . . . . 51947 2 99 2 36.172 . . . . . . . . . . . . . 51947 2 99 3 6.761 . . . . . . . . . . . . . 51947 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 108.838 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 2 1 2 . . . 42.558 . . . . . . 372 GLY CA . . . . . . . . . . . . 51947 2 1 3 . . . 8.400 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 2 2 1 . . . 113.717 . . . . . . 367 THR N . . . . . . . . . . . . 51947 2 2 2 . . . 42.371 . . . . . . 366 GLY CA . . . . . . . . . . . . 51947 2 2 3 . . . 8.187 . . . . . . 367 THR H . . . . . . . . . . . . 51947 2 3 1 . . . 113.807 . . . . . . 367 THR N . . . . . . . . . . . . 51947 2 3 2 . . . 58.711 . . . . . . 367 THR CA . . . . . . . . . . . . 51947 2 3 3 . . . 8.186 . . . . . . 367 THR H . . . . . . . . . . . . 51947 2 4 1 . . . 113.867 . . . . . . 367 THR N . . . . . . . . . . . . 51947 2 4 2 . . . 66.617 . . . . . . 367 THR CB . . . . . . . . . . . . 51947 2 4 3 . . . 8.187 . . . . . . 367 THR H . . . . . . . . . . . . 51947 2 5 1 . . . 113.589 . . . . . . 373 THR N . . . . . . . . . . . . 51947 2 5 2 . . . 58.839 . . . . . . 373 THR CA . . . . . . . . . . . . 51947 2 5 3 . . . 7.871 . . . . . . 373 THR H . . . . . . . . . . . . 51947 2 6 1 . . . 113.579 . . . . . . 373 THR N . . . . . . . . . . . . 51947 2 6 2 . . . 66.683 . . . . . . 373 THR CB . . . . . . . . . . . . 51947 2 6 3 . . . 7.876 . . . . . . 373 THR H . . . . . . . . . . . . 51947 2 7 1 . . . 113.593 . . . . . . 373 THR N . . . . . . . . . . . . 51947 2 7 2 . . . 42.578 . . . . . . 372 GLY CA . . . . . . . . . . . . 51947 2 7 3 . . . 7.872 . . . . . . 373 THR H . . . . . . . . . . . . 51947 2 8 1 . . . 114.054 . . . . . . 398 THR N . . . . . . . . . . . . 51947 2 8 2 . . . 66.740 . . . . . . 398 THR CB . . . . . . . . . . . . 51947 2 8 3 . . . 7.739 . . . . . . 398 THR H . . . . . . . . . . . . 51947 2 9 1 . . . 114.057 . . . . . . 398 THR N . . . . . . . . . . . . 51947 2 9 2 . . . 58.621 . . . . . . 398 THR CA . . . . . . . . . . . . 51947 2 9 3 . . . 7.739 . . . . . . 398 THR H . . . . . . . . . . . . 51947 2 10 1 . . . 128.894 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 2 10 2 . . . 40.509 . . . . . . 400 LEU CB . . . . . . . . . . . . 51947 2 10 3 . . . 7.552 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 2 11 1 . . . 128.918 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 2 11 2 . . . 26.496 . . . . . . 399 TRP CB . . . . . . . . . . . . 51947 2 11 3 . . . 7.552 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 2 12 1 . . . 125.454 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 2 12 2 . . . 16.226 . . . . . . 389 ALA CB . . . . . . . . . . . . 51947 2 12 3 . . . 8.130 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 2 13 1 . . . 125.431 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 2 13 2 . . . 49.835 . . . . . . 389 ALA CA . . . . . . . . . . . . 51947 2 13 3 . . . 8.130 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 2 14 1 . . . 124.572 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 2 14 2 . . . 58.770 . . . . . . 373 THR CA . . . . . . . . . . . . 51947 2 14 3 . . . 8.167 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 2 15 1 . . . 124.587 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 2 15 2 . . . 39.497 . . . . . . 374 LEU CB . . . . . . . . . . . . 51947 2 15 3 . . . 8.166 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 2 16 1 . . . 124.584 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 2 16 2 . . . 52.266 . . . . . . 374 LEU CA . . . . . . . . . . . . 51947 2 16 3 . . . 8.164 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 2 17 1 . . . 123.891 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 2 17 2 . . . 51.150 . . . . . . 370 ASP CA . . . . . . . . . . . . 51947 2 17 3 . . . 8.288 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 2 18 1 . . . 123.891 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 2 18 2 . . . 38.222 . . . . . . 370 ASP CB . . . . . . . . . . . . 51947 2 18 3 . . . 8.289 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 2 19 1 . . . 123.887 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 2 19 2 . . . 59.255 . . . . . . 369 VAL CA . . . . . . . . . . . . 51947 2 19 3 . . . 8.289 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 2 20 1 . . . 123.626 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 2 20 2 . . . 51.155 . . . . . . 370 ASP CA . . . . . . . . . . . . 51947 2 20 3 . . . 8.235 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 2 21 1 . . . 123.529 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 2 21 2 . . . 26.834 . . . . . . 394 GLU CB . . . . . . . . . . . . 51947 2 21 3 . . . 8.195 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 2 22 1 . . . 123.534 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 2 22 2 . . . 51.385 . . . . . . 394 GLU CA . . . . . . . . . . . . 51947 2 22 3 . . . 8.193 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 2 23 1 . . . 123.724 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 2 23 2 . . . 55.798 . . . . . . 380 ILE CA . . . . . . . . . . . . 51947 2 23 3 . . . 7.972 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 2 24 1 . . . 123.794 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 2 24 2 . . . 35.214 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 2 24 3 . . . 7.973 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 2 25 1 . . . 123.902 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 2 25 2 . . . 39.269 . . . . . . 397 LEU CB . . . . . . . . . . . . 51947 2 25 3 . . . 7.904 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 2 26 1 . . . 123.832 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 2 26 2 . . . 51.957 . . . . . . 397 LEU CA . . . . . . . . . . . . 51947 2 26 3 . . . 7.905 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 2 27 1 . . . 122.845 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 2 27 2 . . . 26.528 . . . . . . 399 TRP CB . . . . . . . . . . . . 51947 2 27 3 . . . 7.859 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 2 28 1 . . . 122.841 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 2 28 2 . . . 53.859 . . . . . . 399 TRP CA . . . . . . . . . . . . 51947 2 28 3 . . . 7.875 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 2 29 1 . . . 123.013 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 2 29 2 . . . 59.918 . . . . . . 386 VAL CA . . . . . . . . . . . . 51947 2 29 3 . . . 8.327 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 2 30 1 . . . 123.021 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 2 30 2 . . . 54.145 . . . . . . 387 GLU CA . . . . . . . . . . . . 51947 2 30 3 . . . 8.327 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 2 31 1 . . . 123.024 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 2 31 2 . . . 26.968 . . . . . . 387 GLU CB . . . . . . . . . . . . 51947 2 31 3 . . . 8.327 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 2 32 1 . . . 122.924 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 2 32 2 . . . 27.155 . . . . . . 377 GLU CB . . . . . . . . . . . . 51947 2 32 3 . . . 8.428 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 2 33 1 . . . 122.879 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 2 33 2 . . . 55.377 . . . . . . 376 SER CA . . . . . . . . . . . . 51947 2 33 3 . . . 8.428 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 2 34 1 . . . 122.905 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 2 34 2 . . . 53.781 . . . . . . 377 GLU CA . . . . . . . . . . . . 51947 2 34 3 . . . 8.427 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 2 35 1 . . . 122.980 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 2 35 2 . . . 60.864 . . . . . . 376 SER CB . . . . . . . . . . . . 51947 2 35 3 . . . 8.427 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 2 36 1 . . . 121.928 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 2 36 2 . . . 38.030 . . . . . . 378 ASP CB . . . . . . . . . . . . 51947 2 36 3 . . . 7.951 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 2 37 1 . . . 121.947 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 2 37 2 . . . 39.236 . . . . . . 379 LEU CB . . . . . . . . . . . . 51947 2 37 3 . . . 7.948 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 2 38 1 . . . 121.975 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 2 38 2 . . . 28.934 . . . . . . 381 PRO CB . . . . . . . . . . . . 51947 2 38 3 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 2 39 1 . . . 122.001 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 2 39 2 . . . 39.503 . . . . . . 382 LEU CB . . . . . . . . . . . . 51947 2 39 3 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 2 40 1 . . . 121.979 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 2 40 2 . . . 60.054 . . . . . . 381 PRO CA . . . . . . . . . . . . 51947 2 40 3 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 2 41 1 . . . 121.541 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 2 41 2 . . . 53.303 . . . . . . 392 LYS CA . . . . . . . . . . . . 51947 2 41 3 . . . 8.087 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 2 42 1 . . . 121.537 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 2 42 2 . . . 29.938 . . . . . . 392 LYS CB . . . . . . . . . . . . 51947 2 42 3 . . . 8.088 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 2 43 1 . . . 121.468 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 2 43 2 . . . 35.862 . . . . . . 391 ASN CB . . . . . . . . . . . . 51947 2 43 3 . . . 8.087 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 2 44 1 . . . 121.501 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 2 44 2 . . . 50.259 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 2 44 3 . . . 8.088 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 2 45 1 . . . 121.759 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 2 45 2 . . . 27.119 . . . . . . 375 GLU CB . . . . . . . . . . . . 51947 2 45 3 . . . 8.365 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 2 46 1 . . . 121.752 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 2 46 2 . . . 53.626 . . . . . . 375 GLU CA . . . . . . . . . . . . 51947 2 46 3 . . . 8.365 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 2 47 1 . . . 121.390 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 2 47 2 . . . 50.354 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 2 47 3 . . . 8.431 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 2 48 1 . . . 121.403 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 2 48 2 . . . 35.851 . . . . . . 368 ASN CB . . . . . . . . . . . . 51947 2 48 3 . . . 8.432 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 2 49 1 . . . 121.279 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 2 49 2 . . . 38.036 . . . . . . 385 ASP CB . . . . . . . . . . . . 51947 2 49 3 . . . 8.186 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 2 50 1 . . . 121.258 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 2 50 2 . . . 36.173 . . . . . . 384 ASN CB . . . . . . . . . . . . 51947 2 50 3 . . . 8.185 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 2 51 1 . . . 121.278 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 2 51 2 . . . 51.374 . . . . . . 385 ASP CA . . . . . . . . . . . . 51947 2 51 3 . . . 8.184 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 2 52 1 . . . 120.729 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 2 52 2 . . . 53.954 . . . . . . 377 GLU CA . . . . . . . . . . . . 51947 2 52 3 . . . 8.219 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 2 53 1 . . . 120.684 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 2 53 2 . . . 38.029 . . . . . . 378 ASP CB . . . . . . . . . . . . 51947 2 53 3 . . . 8.226 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 2 54 1 . . . 120.608 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 2 54 2 . . . 51.391 . . . . . . 378 ASP CA . . . . . . . . . . . . 51947 2 54 3 . . . 8.226 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 2 55 1 . . . 120.417 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 2 55 2 . . . 54.201 . . . . . . 383 PHE CA . . . . . . . . . . . . 51947 2 55 3 . . . 8.065 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 2 56 1 . . . 120.338 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 2 56 2 . . . 36.497 . . . . . . 383 PHE CB . . . . . . . . . . . . 51947 2 56 3 . . . 8.073 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 2 57 1 . . . 120.430 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 2 57 2 . . . 39.735 . . . . . . 382 LEU CB . . . . . . . . . . . . 51947 2 57 3 . . . 8.075 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 2 58 1 . . . 120.225 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 2 58 2 . . . 35.804 . . . . . . 368 ASN CB . . . . . . . . . . . . 51947 2 58 3 . . . 8.019 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 2 59 1 . . . 120.204 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 2 59 2 . . . 29.583 . . . . . . 369 VAL CB . . . . . . . . . . . . 51947 2 59 3 . . . 8.018 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 2 60 1 . . . 120.210 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 2 60 2 . . . 50.270 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 2 60 3 . . . 8.020 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 2 61 1 . . . 120.199 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 2 61 2 . . . 59.263 . . . . . . 369 VAL CA . . . . . . . . . . . . 51947 2 61 3 . . . 8.020 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 2 62 1 . . . 119.988 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 2 62 2 . . . 29.421 . . . . . . 386 VAL CB . . . . . . . . . . . . 51947 2 62 3 . . . 7.963 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 2 63 1 . . . 119.961 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 2 63 2 . . . 37.992 . . . . . . 385 ASP CB . . . . . . . . . . . . 51947 2 63 3 . . . 7.964 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 2 64 1 . . . 119.958 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 2 64 2 . . . 51.360 . . . . . . 385 ASP CA . . . . . . . . . . . . 51947 2 64 3 . . . 7.964 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 2 65 1 . . . 119.962 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 2 65 2 . . . 59.900 . . . . . . 386 VAL CA . . . . . . . . . . . . 51947 2 65 3 . . . 7.965 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 2 66 1 . . . 119.811 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 2 66 2 . . . 16.155 . . . . . . 389 ALA CB . . . . . . . . . . . . 51947 2 66 3 . . . 7.910 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 2 67 1 . . . 119.791 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 2 67 2 . . . 39.275 . . . . . . 390 LEU CB . . . . . . . . . . . . 51947 2 67 3 . . . 7.909 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 2 68 1 . . . 119.780 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 2 68 2 . . . 52.381 . . . . . . 390 LEU CA . . . . . . . . . . . . 51947 2 68 3 . . . 7.908 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 2 69 1 . . . 119.822 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 2 69 2 . . . 49.801 . . . . . . 389 ALA CA . . . . . . . . . . . . 51947 2 69 3 . . . 7.910 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 2 70 1 . . . 119.337 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 2 70 2 . . . 60.310 . . . . . . 395 PRO CA . . . . . . . . . . . . 51947 2 70 3 . . . 8.009 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 2 71 1 . . . 119.307 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 2 71 2 . . . 54.309 . . . . . . 396 PHE CA . . . . . . . . . . . . 51947 2 71 3 . . . 8.009 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 2 72 1 . . . 119.342 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 2 72 2 . . . 36.158 . . . . . . 396 PHE CB . . . . . . . . . . . . 51947 2 72 3 . . . 8.004 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 2 73 1 . . . 119.325 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 2 73 2 . . . 28.816 . . . . . . 395 PRO CB . . . . . . . . . . . . 51947 2 73 3 . . . 8.007 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 2 74 1 . . . 118.697 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 2 74 2 . . . 50.162 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 2 74 3 . . . 8.135 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 2 75 1 . . . 116.785 . . . . . . 393 SER N . . . . . . . . . . . . 51947 2 75 2 . . . 30.178 . . . . . . 392 LYS CB . . . . . . . . . . . . 51947 2 75 3 . . . 8.210 . . . . . . 393 SER H . . . . . . . . . . . . 51947 2 76 1 . . . 116.739 . . . . . . 393 SER N . . . . . . . . . . . . 51947 2 76 2 . . . 53.465 . . . . . . 392 LYS CA . . . . . . . . . . . . 51947 2 76 3 . . . 8.210 . . . . . . 393 SER H . . . . . . . . . . . . 51947 2 77 1 . . . 116.804 . . . . . . 393 SER N . . . . . . . . . . . . 51947 2 77 2 . . . 60.701 . . . . . . 393 SER CB . . . . . . . . . . . . 51947 2 77 3 . . . 8.196 . . . . . . 393 SER H . . . . . . . . . . . . 51947 2 78 1 . . . 116.807 . . . . . . 393 SER N . . . . . . . . . . . . 51947 2 78 2 . . . 55.139 . . . . . . 393 SER CA . . . . . . . . . . . . 51947 2 78 3 . . . 8.195 . . . . . . 393 SER H . . . . . . . . . . . . 51947 2 79 1 . . . 116.121 . . . . . . 376 SER N . . . . . . . . . . . . 51947 2 79 2 . . . 27.160 . . . . . . 375 GLU CB . . . . . . . . . . . . 51947 2 79 3 . . . 8.150 . . . . . . 376 SER H . . . . . . . . . . . . 51947 2 80 1 . . . 116.127 . . . . . . 388 SER N . . . . . . . . . . . . 51947 2 80 2 . . . 26.865 . . . . . . 387 GLU CB . . . . . . . . . . . . 51947 2 80 3 . . . 8.118 . . . . . . 388 SER H . . . . . . . . . . . . 51947 2 81 1 . . . 116.246 . . . . . . 388 SER N . . . . . . . . . . . . 51947 2 81 2 . . . 55.807 . . . . . . 388 SER CA . . . . . . . . . . . . 51947 2 81 3 . . . 8.123 . . . . . . 388 SER H . . . . . . . . . . . . 51947 2 82 1 . . . 116.121 . . . . . . 376 SER N . . . . . . . . . . . . 51947 2 82 2 . . . 55.350 . . . . . . 376 SER CA . . . . . . . . . . . . 51947 2 82 3 . . . 8.153 . . . . . . 376 SER H . . . . . . . . . . . . 51947 2 83 1 . . . 116.134 . . . . . . 388 SER N . . . . . . . . . . . . 51947 2 83 2 . . . 54.170 . . . . . . 387 GLU CA . . . . . . . . . . . . 51947 2 83 3 . . . 8.118 . . . . . . 388 SER H . . . . . . . . . . . . 51947 2 84 1 . . . 116.123 . . . . . . 376 SER N . . . . . . . . . . . . 51947 2 84 2 . . . 53.560 . . . . . . 375 GLU CA . . . . . . . . . . . . 51947 2 84 3 . . . 8.155 . . . . . . 376 SER H . . . . . . . . . . . . 51947 2 85 1 . . . 116.246 . . . . . . 388 SER N . . . . . . . . . . . . 51947 2 85 2 . . . 60.710 . . . . . . 388 SER CB . . . . . . . . . . . . 51947 2 85 3 . . . 8.124 . . . . . . 388 SER H . . . . . . . . . . . . 51947 2 86 1 . . . 116.145 . . . . . . 376 SER N . . . . . . . . . . . . 51947 2 86 2 . . . 60.705 . . . . . . 376 SER CB . . . . . . . . . . . . 51947 2 86 3 . . . 8.153 . . . . . . 376 SER H . . . . . . . . . . . . 51947 2 87 1 . . . 121.410 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 2 87 2 . . . 58.536 . . . . . . 367 THR CA . . . . . . . . . . . . 51947 2 87 3 . . . 8.432 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 2 88 1 . . . 121.435 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 2 88 2 . . . 66.664 . . . . . . 367 THR CB . . . . . . . . . . . . 51947 2 88 3 . . . 8.432 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 2 89 1 . . . 118.697 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 2 89 2 . . . 35.787 . . . . . . 391 ASN CB . . . . . . . . . . . . 51947 2 89 3 . . . 8.132 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 2 90 1 . . . 120.601 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 2 90 2 . . . 36.180 . . . . . . 384 ASN CB . . . . . . . . . . . . 51947 2 90 3 . . . 8.261 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 2 91 1 . . . 120.601 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 2 91 2 . . . 50.120 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 2 91 3 . . . 8.261 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 2 92 1 . . . 120.734 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 2 92 2 . . . 27.092 . . . . . . 377 GLU CB . . . . . . . . . . . . 51947 2 92 3 . . . 8.219 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 2 93 1 . . . 120.341 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 2 93 2 . . . 52.016 . . . . . . 382 LEU CA . . . . . . . . . . . . 51947 2 93 3 . . . 8.071 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 2 94 1 . . . 112.384 . . . . . . 368 ASN ND2 . . . . . . . . . . . . 51947 2 94 2 . . . 35.637 . . . . . . 368 ASN CB . . . . . . . . . . . . 51947 2 94 3 . . . 6.826 . . . . . . 368 ASN HD22 . . . . . . . . . . . . 51947 2 95 1 . . . 112.402 . . . . . . 368 ASN ND2 . . . . . . . . . . . . 51947 2 95 2 . . . 50.259 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 2 95 3 . . . 6.826 . . . . . . 368 ASN HD22 . . . . . . . . . . . . 51947 2 96 1 . . . 112.406 . . . . . . 391 ASN ND2 . . . . . . . . . . . . 51947 2 96 2 . . . 35.755 . . . . . . 391 ASN CB . . . . . . . . . . . . 51947 2 96 3 . . . 6.853 . . . . . . 391 ASN HD22 . . . . . . . . . . . . 51947 2 97 1 . . . 112.330 . . . . . . 391 ASN ND2 . . . . . . . . . . . . 51947 2 97 2 . . . 50.155 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 2 97 3 . . . 6.855 . . . . . . 391 ASN HD22 . . . . . . . . . . . . 51947 2 98 1 . . . 112.159 . . . . . . 384 ASN ND2 . . . . . . . . . . . . 51947 2 98 2 . . . 50.137 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 2 98 3 . . . 6.753 . . . . . . 384 ASN HD22 . . . . . . . . . . . . 51947 2 99 1 . . . 112.028 . . . . . . 384 ASN ND2 . . . . . . . . . . . . 51947 2 99 2 . . . 36.172 . . . . . . 384 ASN CB . . . . . . . . . . . . 51947 2 99 3 . . . 6.761 . . . . . . 384 ASN HD22 . . . . . . . . . . . . 51947 2 stop_ loop_ _Peak_row_format.Index_ID _Peak_row_format.ID _Peak_row_format.Peak_ID _Peak_row_format.Volume _Peak_row_format.Volume_uncertainty _Peak_row_format.Height _Peak_row_format.Height_uncertainty _Peak_row_format.Figure_of_merit _Peak_row_format.Restraint _Peak_row_format.Position_1 _Peak_row_format.Position_uncertainty_1 _Peak_row_format.Position_2 _Peak_row_format.Position_uncertainty_2 _Peak_row_format.Position_3 _Peak_row_format.Position_uncertainty_3 _Peak_row_format.Position_4 _Peak_row_format.Position_uncertainty_4 _Peak_row_format.Entity_assembly_ID_1 _Peak_row_format.Entity_ID_1 _Peak_row_format.Comp_index_ID_1 _Peak_row_format.Seq_ID_1 _Peak_row_format.Comp_ID_1 _Peak_row_format.Atom_ID_1 _Peak_row_format.Ambiguity_code_1 _Peak_row_format.Ambiguity_set_ID_1 _Peak_row_format.Entity_assembly_ID_2 _Peak_row_format.Entity_ID_2 _Peak_row_format.Comp_index_ID_2 _Peak_row_format.Seq_ID_2 _Peak_row_format.Comp_ID_2 _Peak_row_format.Atom_ID_2 _Peak_row_format.Ambiguity_code_2 _Peak_row_format.Ambiguity_set_ID_2 _Peak_row_format.Entity_assembly_ID_3 _Peak_row_format.Entity_ID_3 _Peak_row_format.Comp_index_ID_3 _Peak_row_format.Seq_ID_3 _Peak_row_format.Comp_ID_3 _Peak_row_format.Atom_ID_3 _Peak_row_format.Ambiguity_code_3 _Peak_row_format.Ambiguity_set_ID_3 _Peak_row_format.Entity_assembly_ID_4 _Peak_row_format.Entity_ID_4 _Peak_row_format.Comp_index_ID_4 _Peak_row_format.Seq_ID_4 _Peak_row_format.Comp_ID_4 _Peak_row_format.Atom_ID_4 _Peak_row_format.Ambiguity_code_4 _Peak_row_format.Ambiguity_set_ID_4 _Peak_row_format.Entry_ID _Peak_row_format.Spectral_peak_list_ID . 1 . . . 7687564165120.000000 . . . 108.838 . 42.558 . 8.400 . . . . . 372 . GLY N . . . . 372 . GLY CA . . . . 372 . GLY H . . . . . . . . . . 51947 2 . 10 . . . 72888852480.000000 . . . 128.894 . 40.509 . 7.552 . . . . . 400 . LEU N . . . . 400 . LEU CB . . . . 400 . LEU H . . . . . . . . . . 51947 2 . 11 . . . 116553506816.000000 . . . 128.918 . 26.496 . 7.552 . . . . . 400 . LEU N . . . . 399 . TRP CB . . . . 400 . LEU H . . . . . . . . . . 51947 2 . 12 . . . 0.0 . . . 125.454 . 16.226 . 8.130 . . . . . 389 . ALA N . . . . 389 . ALA CB . . . . 389 . ALA H . . . . . . . . . . 51947 2 . 13 . . . 0.0 . . . 125.431 . 49.835 . 8.130 . . . . . 389 . ALA N . . . . 389 . ALA CA . . . . 389 . ALA H . . . . . . . . . . 51947 2 . 14 . . . -149395193856.000000 . . . 124.572 . 58.770 . 8.167 . . . . . 374 . LEU N . . . . 373 . THR CA . . . . 374 . LEU H . . . . . . . . . . 51947 2 . 15 . . . 112502571008.000000 . . . 124.587 . 39.497 . 8.166 . . . . . 374 . LEU N . . . . 374 . LEU CB . . . . 374 . LEU H . . . . . . . . . . 51947 2 . 16 . . . -88498061312.000000 . . . 124.584 . 52.266 . 8.164 . . . . . 374 . LEU N . . . . 374 . LEU CA . . . . 374 . LEU H . . . . . . . . . . 51947 2 . 17 . . . -506717274112.000000 . . . 123.891 . 51.150 . 8.288 . . . . . 370 . ASP N . . . . 370 . ASP CA . . . . 370 . ASP H . . . . . . . . . . 51947 2 . 18 . . . 479210635264.000000 . . . 123.891 . 38.222 . 8.289 . . . . . 370 . ASP N . . . . 370 . ASP CB . . . . 370 . ASP H . . . . . . . . . . 51947 2 . 19 . . . -140732268544.000000 . . . 123.887 . 59.255 . 8.289 . . . . . 370 . ASP N . . . . 369 . VAL CA . . . . 370 . ASP H . . . . . . . . . . 51947 2 . 2 . . . 2296785141760.000000 . . . 113.717 . 42.371 . 8.187 . . . . . 367 . THR N . . . . 366 . GLY CA . . . . 367 . THR H . . . . . . . . . . 51947 2 . 20 . . . -235151736832.000000 . . . 123.626 . 51.155 . 8.235 . . . . . 371 . LEU N . . . . 370 . ASP CA . . . . 371 . LEU H . . . . . . . . . . 51947 2 . 21 . . . 1114410582016.000000 . . . 123.529 . 26.834 . 8.195 . . . . . 394 . GLU N . . . . 394 . GLU CB . . . . 394 . GLU H . . . . . . . . . . 51947 2 . 22 . . . -1896419950592.000000 . . . 123.534 . 51.385 . 8.193 . . . . . 394 . GLU N . . . . 394 . GLU CA . . . . 394 . GLU H . . . . . . . . . . 51947 2 . 23 . . . -229121867776.000000 . . . 123.724 . 55.798 . 7.972 . . . . . 380 . ILE N . . . . 380 . ILE CA . . . . 380 . ILE H . . . . . . . . . . 51947 2 . 24 . . . 67157028864.000000 . . . 123.794 . 35.214 . 7.973 . . . . . 380 . ILE N . . . . 380 . ILE CB . . . . 380 . ILE H . . . . . . . . . . 51947 2 . 25 . . . 68660252672.000000 . . . 123.902 . 39.269 . 7.904 . . . . . 397 . LEU N . . . . 397 . LEU CB . . . . 397 . LEU H . . . . . . . . . . 51947 2 . 26 . . . -49615609856.000000 . . . 123.832 . 51.957 . 7.905 . . . . . 397 . LEU N . . . . 397 . LEU CA . . . . 397 . LEU H . . . . . . . . . . 51947 2 . 27 . . . 1844038729728.000000 . . . 122.845 . 26.528 . 7.859 . . . . . 399 . TRP N . . . . 399 . TRP CB . . . . 399 . TRP H . . . . . . . . . . 51947 2 . 28 . . . -968610283520.000000 . . . 122.841 . 53.859 . 7.875 . . . . . 399 . TRP N . . . . 399 . TRP CA . . . . 399 . TRP H . . . . . . . . . . 51947 2 . 29 . . . -111901982720.000000 . . . 123.013 . 59.918 . 8.327 . . . . . 387 . GLU N . . . . 386 . VAL CA . . . . 387 . GLU H . . . . . . . . . . 51947 2 . 3 . . . -2406346653696.000000 . . . 113.807 . 58.711 . 8.186 . . . . . 367 . THR N . . . . 367 . THR CA . . . . 367 . THR H . . . . . . . . . . 51947 2 . 30 . . . -434520621056.000000 . . . 123.021 . 54.145 . 8.327 . . . . . 387 . GLU N . . . . 387 . GLU CA . . . . 387 . GLU H . . . . . . . . . . 51947 2 . 31 . . . 314145341440.000000 . . . 123.024 . 26.968 . 8.327 . . . . . 387 . GLU N . . . . 387 . GLU CB . . . . 387 . GLU H . . . . . . . . . . 51947 2 . 32 . . . 340834484224.000000 . . . 122.924 . 27.155 . 8.428 . . . . . 377 . GLU N . . . . 377 . GLU CB . . . . 377 . GLU H . . . . . . . . . . 51947 2 . 33 . . . -175950512128.000000 . . . 122.879 . 55.377 . 8.428 . . . . . 377 . GLU N . . . . 376 . SER CA . . . . 377 . GLU H . . . . . . . . . . 51947 2 . 34 . . . -474840498176.000000 . . . 122.905 . 53.781 . 8.427 . . . . . 377 . GLU N . . . . 377 . GLU CA . . . . 377 . GLU H . . . . . . . . . . 51947 2 . 35 . . . 143117025280.000000 . . . 122.980 . 60.864 . 8.427 . . . . . 377 . GLU N . . . . 376 . SER CB . . . . 377 . GLU H . . . . . . . . . . 51947 2 . 36 . . . 149006974976.000000 . . . 121.928 . 38.030 . 7.951 . . . . . 379 . LEU N . . . . 378 . ASP CB . . . . 379 . LEU H . . . . . . . . . . 51947 2 . 37 . . . 93221502976.000000 . . . 121.947 . 39.236 . 7.948 . . . . . 379 . LEU N . . . . 379 . LEU CB . . . . 379 . LEU H . . . . . . . . . . 51947 2 . 38 . . . 112149315584.000000 . . . 121.975 . 28.934 . 8.078 . . . . . 382 . LEU N . . . . 381 . PRO CB . . . . 382 . LEU H . . . . . . . . . . 51947 2 . 39 . . . 77487669248.000000 . . . 122.001 . 39.503 . 8.078 . . . . . 382 . LEU N . . . . 382 . LEU CB . . . . 382 . LEU H . . . . . . . . . . 51947 2 . 4 . . . 1095838531584.000000 . . . 113.867 . 66.617 . 8.187 . . . . . 367 . THR N . . . . 367 . THR CB . . . . 367 . THR H . . . . . . . . . . 51947 2 . 40 . . . -126998978560.000000 . . . 121.979 . 60.054 . 8.078 . . . . . 382 . LEU N . . . . 381 . PRO CA . . . . 382 . LEU H . . . . . . . . . . 51947 2 . 41 . . . -192011075584.000000 . . . 121.541 . 53.303 . 8.087 . . . . . 392 . LYS N . . . . 392 . LYS CA . . . . 392 . LYS H . . . . . . . . . . 51947 2 . 42 . . . 113718968320.000000 . . . 121.537 . 29.938 . 8.088 . . . . . 392 . LYS N . . . . 392 . LYS CB . . . . 392 . LYS H . . . . . . . . . . 51947 2 . 43 . . . 72341225472.000000 . . . 121.468 . 35.862 . 8.087 . . . . . 392 . LYS N . . . . 391 . ASN CB . . . . 392 . LYS H . . . . . . . . . . 51947 2 . 44 . . . -60537298944.000000 . . . 121.501 . 50.259 . 8.088 . . . . . 392 . LYS N . . . . 391 . ASN CA . . . . 392 . LYS H . . . . . . . . . . 51947 2 . 45 . . . 449353449472.000000 . . . 121.759 . 27.119 . 8.365 . . . . . 375 . GLU N . . . . 375 . GLU CB . . . . 375 . GLU H . . . . . . . . . . 51947 2 . 46 . . . -610077704192.000000 . . . 121.752 . 53.626 . 8.365 . . . . . 375 . GLU N . . . . 375 . GLU CA . . . . 375 . GLU H . . . . . . . . . . 51947 2 . 47 . . . -363472846848.000000 . . . 121.390 . 50.354 . 8.431 . . . . . 368 . ASN N . . . . 368 . ASN CA . . . . 368 . ASN H . . . . . . . . . . 51947 2 . 48 . . . 334870708224.000000 . . . 121.403 . 35.851 . 8.432 . . . . . 368 . ASN N . . . . 368 . ASN CB . . . . 368 . ASN H . . . . . . . . . . 51947 2 . 49 . . . 2379289722880.000000 . . . 121.279 . 38.036 . 8.186 . . . . . 385 . ASP N . . . . 385 . ASP CB . . . . 385 . ASP H . . . . . . . . . . 51947 2 . 5 . . . -3128287035392.000000 . . . 113.589 . 58.839 . 7.871 . . . . . 373 . THR N . . . . 373 . THR CA . . . . 373 . THR H . . . . . . . . . . 51947 2 . 50 . . . 121946849280.000000 . . . 121.258 . 36.173 . 8.185 . . . . . 385 . ASP N . . . . 384 . ASN CB . . . . 385 . ASP H . . . . . . . . . . 51947 2 . 51 . . . -2441433317376.000000 . . . 121.278 . 51.374 . 8.184 . . . . . 385 . ASP N . . . . 385 . ASP CA . . . . 385 . ASP H . . . . . . . . . . 51947 2 . 52 . . . -158519721984.000000 . . . 120.729 . 53.954 . 8.219 . . . . . 378 . ASP N . . . . 377 . GLU CA . . . . 378 . ASP H . . . . . . . . . . 51947 2 . 53 . . . 1972145094656.000000 . . . 120.684 . 38.029 . 8.226 . . . . . 378 . ASP N . . . . 378 . ASP CB . . . . 378 . ASP H . . . . . . . . . . 51947 2 . 54 . . . -1952189120512.000000 . . . 120.608 . 51.391 . 8.226 . . . . . 378 . ASP N . . . . 378 . ASP CA . . . . 378 . ASP H . . . . . . . . . . 51947 2 . 55 . . . -649161998336.000000 . . . 120.417 . 54.201 . 8.065 . . . . . 383 . PHE N . . . . 383 . PHE CA . . . . 383 . PHE H . . . . . . . . . . 51947 2 . 56 . . . 933180604416.000000 . . . 120.338 . 36.497 . 8.073 . . . . . 383 . PHE N . . . . 383 . PHE CB . . . . 383 . PHE H . . . . . . . . . . 51947 2 . 57 . . . 46643376128.000000 . . . 120.430 . 39.735 . 8.075 . . . . . 383 . PHE N . . . . 382 . LEU CB . . . . 383 . PHE H . . . . . . . . . . 51947 2 . 58 . . . 140276203520.000000 . . . 120.225 . 35.804 . 8.019 . . . . . 369 . VAL N . . . . 368 . ASN CB . . . . 369 . VAL H . . . . . . . . . . 51947 2 . 59 . . . 114959843328.000000 . . . 120.204 . 29.583 . 8.018 . . . . . 369 . VAL N . . . . 369 . VAL CB . . . . 369 . VAL H . . . . . . . . . . 51947 2 . 6 . . . 1413591072768.000000 . . . 113.579 . 66.683 . 7.876 . . . . . 373 . THR N . . . . 373 . THR CB . . . . 373 . THR H . . . . . . . . . . 51947 2 . 60 . . . -169374138368.000000 . . . 120.210 . 50.270 . 8.020 . . . . . 369 . VAL N . . . . 368 . ASN CA . . . . 369 . VAL H . . . . . . . . . . 51947 2 . 61 . . . -332676988928.000000 . . . 120.199 . 59.263 . 8.020 . . . . . 369 . VAL N . . . . 369 . VAL CA . . . . 369 . VAL H . . . . . . . . . . 51947 2 . 62 . . . 97301585920.000000 . . . 119.988 . 29.421 . 7.963 . . . . . 386 . VAL N . . . . 386 . VAL CB . . . . 386 . VAL H . . . . . . . . . . 51947 2 . 63 . . . 152754831360.000000 . . . 119.961 . 37.992 . 7.964 . . . . . 386 . VAL N . . . . 385 . ASP CB . . . . 386 . VAL H . . . . . . . . . . 51947 2 . 64 . . . -131256696832.000000 . . . 119.958 . 51.360 . 7.964 . . . . . 386 . VAL N . . . . 385 . ASP CA . . . . 386 . VAL H . . . . . . . . . . 51947 2 . 65 . . . -271097495552.000000 . . . 119.962 . 59.900 . 7.965 . . . . . 386 . VAL N . . . . 386 . VAL CA . . . . 386 . VAL H . . . . . . . . . . 51947 2 . 66 . . . 141034045440.000000 . . . 119.811 . 16.155 . 7.910 . . . . . 390 . LEU N . . . . 389 . ALA CB . . . . 390 . LEU H . . . . . . . . . . 51947 2 . 67 . . . 101503836160.000000 . . . 119.791 . 39.275 . 7.909 . . . . . 390 . LEU N . . . . 390 . LEU CB . . . . 390 . LEU H . . . . . . . . . . 51947 2 . 68 . . . -63781277696.000000 . . . 119.780 . 52.381 . 7.908 . . . . . 390 . LEU N . . . . 390 . LEU CA . . . . 390 . LEU H . . . . . . . . . . 51947 2 . 69 . . . -158685495296.000000 . . . 119.822 . 49.801 . 7.910 . . . . . 390 . LEU N . . . . 389 . ALA CA . . . . 390 . LEU H . . . . . . . . . . 51947 2 . 7 . . . 2428720906240.000000 . . . 113.593 . 42.578 . 7.872 . . . . . 373 . THR N . . . . 372 . GLY CA . . . . 373 . THR H . . . . . . . . . . 51947 2 . 70 . . . -97566089216.000000 . . . 119.337 . 60.310 . 8.009 . . . . . 396 . PHE N . . . . 395 . PRO CA . . . . 396 . PHE H . . . . . . . . . . 51947 2 . 71 . . . -87999307776.000000 . . . 119.307 . 54.309 . 8.009 . . . . . 396 . PHE N . . . . 396 . PHE CA . . . . 396 . PHE H . . . . . . . . . . 51947 2 . 72 . . . 80269148160.000000 . . . 119.342 . 36.158 . 8.004 . . . . . 396 . PHE N . . . . 396 . PHE CB . . . . 396 . PHE H . . . . . . . . . . 51947 2 . 73 . . . 77856628736.000000 . . . 119.325 . 28.816 . 8.007 . . . . . 396 . PHE N . . . . 395 . PRO CB . . . . 396 . PHE H . . . . . . . . . . 51947 2 . 74 . . . -2026430791680.000000 . . . 118.697 . 50.162 . 8.135 . . . . . 391 . ASN N . . . . 391 . ASN CA . . . . 391 . ASN H . . . . . . . . . . 51947 2 . 75 . . . 111166881792.000000 . . . 116.785 . 30.178 . 8.210 . . . . . 393 . SER N . . . . 392 . LYS CB . . . . 393 . SER H . . . . . . . . . . 51947 2 . 76 . . . -101642436608.000000 . . . 116.739 . 53.465 . 8.210 . . . . . 393 . SER N . . . . 392 . LYS CA . . . . 393 . SER H . . . . . . . . . . 51947 2 . 77 . . . 794539327488.000000 . . . 116.804 . 60.701 . 8.196 . . . . . 393 . SER N . . . . 393 . SER CB . . . . 393 . SER H . . . . . . . . . . 51947 2 . 78 . . . -1037317570560.000000 . . . 116.807 . 55.139 . 8.195 . . . . . 393 . SER N . . . . 393 . SER CA . . . . 393 . SER H . . . . . . . . . . 51947 2 . 79 . . . 994261598208.000000 . . . 116.121 . 27.160 . 8.150 . . . . . 376 . SER N . . . . 375 . GLU CB . . . . 376 . SER H . . . . . . . . . . 51947 2 . 8 . . . 798331961344.000000 . . . 114.054 . 66.740 . 7.739 . . . . . 398 . THR N . . . . 398 . THR CB . . . . 398 . THR H . . . . . . . . . . 51947 2 . 80 . . . 582427803648.000000 . . . 116.127 . 26.865 . 8.118 . . . . . 388 . SER N . . . . 387 . GLU CB . . . . 388 . SER H . . . . . . . . . . 51947 2 . 81 . . . -2340752457728.000000 . . . 116.246 . 55.807 . 8.123 . . . . . 388 . SER N . . . . 388 . SER CA . . . . 388 . SER H . . . . . . . . . . 51947 2 . 82 . . . -3076749000704.000000 . . . 116.121 . 55.350 . 8.153 . . . . . 376 . SER N . . . . 376 . SER CA . . . . 376 . SER H . . . . . . . . . . 51947 2 . 83 . . . -928425443328.000000 . . . 116.134 . 54.170 . 8.118 . . . . . 388 . SER N . . . . 387 . GLU CA . . . . 388 . SER H . . . . . . . . . . 51947 2 . 84 . . . -1265375379456.000000 . . . 116.123 . 53.560 . 8.155 . . . . . 376 . SER N . . . . 375 . GLU CA . . . . 376 . SER H . . . . . . . . . . 51947 2 . 85 . . . 2227707576320.000000 . . . 116.246 . 60.710 . 8.124 . . . . . 388 . SER N . . . . 388 . SER CB . . . . 388 . SER H . . . . . . . . . . 51947 2 . 86 . . . 2712904400896.000000 . . . 116.145 . 60.705 . 8.153 . . . . . 376 . SER N . . . . 376 . SER CB . . . . 376 . SER H . . . . . . . . . . 51947 2 . 87 . . . -120934473728.000000 . . . 121.410 . 58.536 . 8.432 . . . . . 368 . ASN N . . . . 367 . THR CA . . . . 368 . ASN H . . . . . . . . . . 51947 2 . 88 . . . 93247430656.000000 . . . 121.435 . 66.664 . 8.432 . . . . . 368 . ASN N . . . . 367 . THR CB . . . . 368 . ASN H . . . . . . . . . . 51947 2 . 89 . . . 0.0 . . . 118.697 . 35.787 . 8.132 . . . . . 391 . ASN N . . . . 391 . ASN CB . . . . 391 . ASN H . . . . . . . . . . 51947 2 . 9 . . . -1678628880384.000000 . . . 114.057 . 58.621 . 7.739 . . . . . 398 . THR N . . . . 398 . THR CA . . . . 398 . THR H . . . . . . . . . . 51947 2 . 90 . . . 2351563538432.000000 . . . 120.601 . 36.180 . 8.261 . . . . . 384 . ASN N . . . . 384 . ASN CB . . . . 384 . ASN H . . . . . . . . . . 51947 2 . 91 . . . -2321569021952.000000 . . . 120.601 . 50.120 . 8.261 . . . . . 384 . ASN N . . . . 384 . ASN CA . . . . 384 . ASN H . . . . . . . . . . 51947 2 . 92 . . . 111092498432.000000 . . . 120.734 . 27.092 . 8.219 . . . . . 378 . ASP N . . . . 377 . GLU CB . . . . 378 . ASP H . . . . . . . . . . 51947 2 . 93 . . . 0.0 . . . 120.341 . 52.016 . 8.071 . . . . . 383 . PHE N . . . . 382 . LEU CA . . . . 383 . PHE H . . . . . . . . . . 51947 2 . 94 . . . -188249079808.000000 . . . 112.384 . 35.637 . 6.826 . . . . . 368 . ASN ND2 . . . . 368 . ASN CB . . . . 368 . ASN HD22 . . . . . . . . . . 51947 2 . 95 . . . 100601290752.000000 . . . 112.402 . 50.259 . 6.826 . . . . . 368 . ASN ND2 . . . . 368 . ASN CA . . . . 368 . ASN HD22 . . . . . . . . . . 51947 2 . 96 . . . -238961524736.000000 . . . 112.406 . 35.755 . 6.853 . . . . . 391 . ASN ND2 . . . . 391 . ASN CB . . . . 391 . ASN HD22 . . . . . . . . . . 51947 2 . 97 . . . 117077557248.000000 . . . 112.330 . 50.155 . 6.855 . . . . . 391 . ASN ND2 . . . . 391 . ASN CA . . . . 391 . ASN HD22 . . . . . . . . . . 51947 2 . 98 . . . 89626886144.000000 . . . 112.159 . 50.137 . 6.753 . . . . . 384 . ASN ND2 . . . . 384 . ASN CA . . . . 384 . ASN HD22 . . . . . . . . . . 51947 2 . 99 . . . -256078725120.000000 . . . 112.028 . 36.172 . 6.761 . . . . . 384 . ASN ND2 . . . . 384 . ASN CB . . . . 384 . ASN HD22 . . . . . . . . . . 51947 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 51947 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name 'peak list 3 cbcaconh scrub' _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 3 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 . . N 15 N* . 'not observed' 2682 Hz . . . . . . 51947 3 2 . . C 13 C* . 'not observed' 12000 Hz . . . . . . 51947 3 3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 3 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 3 $software_3 . . 51947 3 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 -1680221798400.000000 . height 51947 3 2 -2266465828864.000000 . height 51947 3 3 -8305445437440.000000 . height 51947 3 4 -9418534027264.000000 . height 51947 3 5 -724318617600.000000 . height 51947 3 6 -1006968307712.000000 . height 51947 3 7 -456694530048.000000 . height 51947 3 8 -386896756736.000000 . height 51947 3 9 -540998336512.000000 . height 51947 3 10 -277117894656.000000 . height 51947 3 11 -442279395328.000000 . height 51947 3 12 -553403023360.000000 . height 51947 3 13 -567341350912.000000 . height 51947 3 14 -240629940224.000000 . height 51947 3 15 -1117784375296.000000 . height 51947 3 16 -651308171264.000000 . height 51947 3 17 -319816794112.000000 . height 51947 3 18 -616523431936.000000 . height 51947 3 19 -245343076352.000000 . height 51947 3 20 -186647724032.000000 . height 51947 3 21 -156993552384.000000 . height 51947 3 22 -147255885824.000000 . height 51947 3 23 -285860397056.000000 . height 51947 3 24 -282536968192.000000 . height 51947 3 25 -447809880064.000000 . height 51947 3 26 -197790203904.000000 . height 51947 3 27 -993924415488.000000 . height 51947 3 28 -505885818880.000000 . height 51947 3 29 -1055776899072.000000 . height 51947 3 30 -592784850944.000000 . height 51947 3 31 -477144252416.000000 . height 51947 3 32 -344540413952.000000 . height 51947 3 33 -455157121024.000000 . height 51947 3 34 -236649037824.000000 . height 51947 3 35 -351174295552.000000 . height 51947 3 36 -263242301440.000000 . height 51947 3 37 -400189030400.000000 . height 51947 3 38 -478846484480.000000 . height 51947 3 39 -924519301120.000000 . height 51947 3 40 -555070717952.000000 . height 51947 3 41 -183680385024.000000 . height 51947 3 42 -241220993024.000000 . height 51947 3 43 -557787316224.000000 . height 51947 3 44 -749780992000.000000 . height 51947 3 45 -262033391616.000000 . height 51947 3 46 -240067837952.000000 . height 51947 3 47 -1020832120832.000000 . height 51947 3 48 -550642122752.000000 . height 51947 3 49 -1095640678400.000000 . height 51947 3 50 -642514616320.000000 . height 51947 3 51 -622298529792.000000 . height 51947 3 52 -590063992832.000000 . height 51947 3 53 -261209489408.000000 . height 51947 3 54 -343653744640.000000 . height 51947 3 55 -196986765312.000000 . height 51947 3 56 -219495235584.000000 . height 51947 3 57 -203209408512.000000 . height 51947 3 58 -303558557696.000000 . height 51947 3 59 -3895359700992.000000 . height 51947 3 60 -5005130072064.000000 . height 51947 3 61 -4047745843200.000000 . height 51947 3 62 -2245385519104.000000 . height 51947 3 63 -575537807360.000000 . height 51947 3 64 -520941404160.000000 . height 51947 3 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 108.840 . . . . . . . . . . . . . 51947 3 1 2 39.161 . . . . . . . . . . . . . 51947 3 1 3 8.395 . . . . . . . . . . . . . 51947 3 2 1 108.834 . . . . . . . . . . . . . 51947 3 2 2 52.512 . . . . . . . . . . . . . 51947 3 2 3 8.395 . . . . . . . . . . . . . 51947 3 3 1 113.796 . . . . . . . . . . . . . 51947 3 3 2 42.365 . . . . . . . . . . . . . 51947 3 3 3 8.184 . . . . . . . . . . . . . 51947 3 4 1 113.616 . . . . . . . . . . . . . 51947 3 4 2 42.585 . . . . . . . . . . . . . 51947 3 4 3 7.869 . . . . . . . . . . . . . 51947 3 5 1 114.054 . . . . . . . . . . . . . 51947 3 5 2 39.275 . . . . . . . . . . . . . 51947 3 5 3 7.736 . . . . . . . . . . . . . 51947 3 6 1 114.052 . . . . . . . . . . . . . 51947 3 6 2 51.970 . . . . . . . . . . . . . 51947 3 6 3 7.737 . . . . . . . . . . . . . 51947 3 7 1 128.954 . . . . . . . . . . . . . 51947 3 7 2 26.546 . . . . . . . . . . . . . 51947 3 7 3 7.550 . . . . . . . . . . . . . 51947 3 8 1 128.954 . . . . . . . . . . . . . 51947 3 8 2 53.827 . . . . . . . . . . . . . 51947 3 8 3 7.550 . . . . . . . . . . . . . 51947 3 9 1 125.511 . . . . . . . . . . . . . 51947 3 9 2 60.654 . . . . . . . . . . . . . 51947 3 9 3 8.124 . . . . . . . . . . . . . 51947 3 10 1 125.492 . . . . . . . . . . . . . 51947 3 10 2 55.763 . . . . . . . . . . . . . 51947 3 10 3 8.124 . . . . . . . . . . . . . 51947 3 11 1 124.607 . . . . . . . . . . . . . 51947 3 11 2 58.899 . . . . . . . . . . . . . 51947 3 11 3 8.163 . . . . . . . . . . . . . 51947 3 12 1 124.582 . . . . . . . . . . . . . 51947 3 12 2 66.770 . . . . . . . . . . . . . 51947 3 12 3 8.164 . . . . . . . . . . . . . 51947 3 13 1 123.900 . . . . . . . . . . . . . 51947 3 13 2 59.300 . . . . . . . . . . . . . 51947 3 13 3 8.286 . . . . . . . . . . . . . 51947 3 14 1 123.921 . . . . . . . . . . . . . 51947 3 14 2 29.773 . . . . . . . . . . . . . 51947 3 14 3 8.286 . . . . . . . . . . . . . 51947 3 15 1 123.632 . . . . . . . . . . . . . 51947 3 15 2 38.162 . . . . . . . . . . . . . 51947 3 15 3 8.233 . . . . . . . . . . . . . 51947 3 16 1 123.634 . . . . . . . . . . . . . 51947 3 16 2 51.254 . . . . . . . . . . . . . 51947 3 16 3 8.233 . . . . . . . . . . . . . 51947 3 17 1 123.559 . . . . . . . . . . . . . 51947 3 17 2 55.418 . . . . . . . . . . . . . 51947 3 17 3 8.194 . . . . . . . . . . . . . 51947 3 18 1 123.590 . . . . . . . . . . . . . 51947 3 18 2 60.842 . . . . . . . . . . . . . 51947 3 18 3 8.195 . . . . . . . . . . . . . 51947 3 19 1 123.785 . . . . . . . . . . . . . 51947 3 19 2 51.898 . . . . . . . . . . . . . 51947 3 19 3 7.971 . . . . . . . . . . . . . 51947 3 20 1 123.746 . . . . . . . . . . . . . 51947 3 20 2 38.942 . . . . . . . . . . . . . 51947 3 20 3 7.969 . . . . . . . . . . . . . 51947 3 21 1 123.865 . . . . . . . . . . . . . 51947 3 21 2 54.169 . . . . . . . . . . . . . 51947 3 21 3 7.901 . . . . . . . . . . . . . 51947 3 22 1 123.881 . . . . . . . . . . . . . 51947 3 22 2 36.133 . . . . . . . . . . . . . 51947 3 22 3 7.900 . . . . . . . . . . . . . 51947 3 23 1 122.918 . . . . . . . . . . . . . 51947 3 23 2 66.757 . . . . . . . . . . . . . 51947 3 23 3 7.856 . . . . . . . . . . . . . 51947 3 24 1 122.920 . . . . . . . . . . . . . 51947 3 24 2 58.751 . . . . . . . . . . . . . 51947 3 24 3 7.856 . . . . . . . . . . . . . 51947 3 25 1 123.046 . . . . . . . . . . . . . 51947 3 25 2 59.861 . . . . . . . . . . . . . 51947 3 25 3 8.324 . . . . . . . . . . . . . 51947 3 26 1 123.043 . . . . . . . . . . . . . 51947 3 26 2 29.463 . . . . . . . . . . . . . 51947 3 26 3 8.324 . . . . . . . . . . . . . 51947 3 27 1 122.945 . . . . . . . . . . . . . 51947 3 27 2 60.925 . . . . . . . . . . . . . 51947 3 27 3 8.424 . . . . . . . . . . . . . 51947 3 28 1 122.939 . . . . . . . . . . . . . 51947 3 28 2 55.479 . . . . . . . . . . . . . 51947 3 28 3 8.425 . . . . . . . . . . . . . 51947 3 29 1 121.980 . . . . . . . . . . . . . 51947 3 29 2 37.997 . . . . . . . . . . . . . 51947 3 29 3 7.949 . . . . . . . . . . . . . 51947 3 30 1 121.996 . . . . . . . . . . . . . 51947 3 30 2 51.422 . . . . . . . . . . . . . 51947 3 30 3 7.948 . . . . . . . . . . . . . 51947 3 31 1 121.985 . . . . . . . . . . . . . 51947 3 31 2 59.892 . . . . . . . . . . . . . 51947 3 31 3 8.076 . . . . . . . . . . . . . 51947 3 32 1 121.984 . . . . . . . . . . . . . 51947 3 32 2 29.140 . . . . . . . . . . . . . 51947 3 32 3 8.076 . . . . . . . . . . . . . 51947 3 33 1 121.592 . . . . . . . . . . . . . 51947 3 33 2 35.665 . . . . . . . . . . . . . 51947 3 33 3 8.085 . . . . . . . . . . . . . 51947 3 34 1 121.576 . . . . . . . . . . . . . 51947 3 34 2 50.217 . . . . . . . . . . . . . 51947 3 34 3 8.085 . . . . . . . . . . . . . 51947 3 35 1 121.752 . . . . . . . . . . . . . 51947 3 35 2 52.242 . . . . . . . . . . . . . 51947 3 35 3 8.363 . . . . . . . . . . . . . 51947 3 36 1 121.756 . . . . . . . . . . . . . 51947 3 36 2 39.260 . . . . . . . . . . . . . 51947 3 36 3 8.363 . . . . . . . . . . . . . 51947 3 37 1 121.465 . . . . . . . . . . . . . 51947 3 37 2 58.741 . . . . . . . . . . . . . 51947 3 37 3 8.430 . . . . . . . . . . . . . 51947 3 38 1 121.402 . . . . . . . . . . . . . 51947 3 38 2 66.721 . . . . . . . . . . . . . 51947 3 38 3 8.430 . . . . . . . . . . . . . 51947 3 39 1 121.279 . . . . . . . . . . . . . 51947 3 39 2 36.206 . . . . . . . . . . . . . 51947 3 39 3 8.183 . . . . . . . . . . . . . 51947 3 40 1 121.253 . . . . . . . . . . . . . 51947 3 40 2 49.999 . . . . . . . . . . . . . 51947 3 40 3 8.184 . . . . . . . . . . . . . 51947 3 41 1 120.663 . . . . . . . . . . . . . 51947 3 41 2 54.305 . . . . . . . . . . . . . 51947 3 41 3 8.253 . . . . . . . . . . . . . 51947 3 42 1 120.632 . . . . . . . . . . . . . 51947 3 42 2 36.758 . . . . . . . . . . . . . 51947 3 42 3 8.253 . . . . . . . . . . . . . 51947 3 43 1 120.729 . . . . . . . . . . . . . 51947 3 43 2 27.407 . . . . . . . . . . . . . 51947 3 43 3 8.214 . . . . . . . . . . . . . 51947 3 44 1 120.733 . . . . . . . . . . . . . 51947 3 44 2 53.805 . . . . . . . . . . . . . 51947 3 44 3 8.214 . . . . . . . . . . . . . 51947 3 45 1 120.378 . . . . . . . . . . . . . 51947 3 45 2 52.049 . . . . . . . . . . . . . 51947 3 45 3 8.073 . . . . . . . . . . . . . 51947 3 46 1 120.352 . . . . . . . . . . . . . 51947 3 46 2 39.394 . . . . . . . . . . . . . 51947 3 46 3 8.073 . . . . . . . . . . . . . 51947 3 47 1 120.235 . . . . . . . . . . . . . 51947 3 47 2 35.701 . . . . . . . . . . . . . 51947 3 47 3 8.017 . . . . . . . . . . . . . 51947 3 48 1 120.229 . . . . . . . . . . . . . 51947 3 48 2 50.329 . . . . . . . . . . . . . 51947 3 48 3 8.017 . . . . . . . . . . . . . 51947 3 49 1 120.000 . . . . . . . . . . . . . 51947 3 49 2 38.031 . . . . . . . . . . . . . 51947 3 49 3 7.961 . . . . . . . . . . . . . 51947 3 50 1 119.987 . . . . . . . . . . . . . 51947 3 50 2 51.353 . . . . . . . . . . . . . 51947 3 50 3 7.961 . . . . . . . . . . . . . 51947 3 51 1 119.861 . . . . . . . . . . . . . 51947 3 51 2 16.103 . . . . . . . . . . . . . 51947 3 51 3 7.908 . . . . . . . . . . . . . 51947 3 52 1 119.861 . . . . . . . . . . . . . 51947 3 52 2 49.933 . . . . . . . . . . . . . 51947 3 52 3 7.907 . . . . . . . . . . . . . 51947 3 53 1 119.395 . . . . . . . . . . . . . 51947 3 53 2 28.970 . . . . . . . . . . . . . 51947 3 53 3 8.005 . . . . . . . . . . . . . 51947 3 54 1 119.372 . . . . . . . . . . . . . 51947 3 54 2 60.306 . . . . . . . . . . . . . 51947 3 54 3 8.002 . . . . . . . . . . . . . 51947 3 55 1 118.650 . . . . . . . . . . . . . 51947 3 55 2 52.371 . . . . . . . . . . . . . 51947 3 55 3 8.132 . . . . . . . . . . . . . 51947 3 56 1 118.776 . . . . . . . . . . . . . 51947 3 56 2 39.083 . . . . . . . . . . . . . 51947 3 56 3 8.130 . . . . . . . . . . . . . 51947 3 57 1 116.762 . . . . . . . . . . . . . 51947 3 57 2 29.934 . . . . . . . . . . . . . 51947 3 57 3 8.206 . . . . . . . . . . . . . 51947 3 58 1 116.761 . . . . . . . . . . . . . 51947 3 58 2 53.435 . . . . . . . . . . . . . 51947 3 58 3 8.204 . . . . . . . . . . . . . 51947 3 59 1 116.250 . . . . . . . . . . . . . 51947 3 59 2 54.078 . . . . . . . . . . . . . 51947 3 59 3 8.117 . . . . . . . . . . . . . 51947 3 60 1 116.199 . . . . . . . . . . . . . 51947 3 60 2 53.682 . . . . . . . . . . . . . 51947 3 60 3 8.149 . . . . . . . . . . . . . 51947 3 61 1 116.198 . . . . . . . . . . . . . 51947 3 61 2 27.349 . . . . . . . . . . . . . 51947 3 61 3 8.149 . . . . . . . . . . . . . 51947 3 62 1 116.211 . . . . . . . . . . . . . 51947 3 62 2 27.046 . . . . . . . . . . . . . 51947 3 62 3 8.110 . . . . . . . . . . . . . 51947 3 63 1 112.048 . . . . . . . . . . . . . 51947 3 63 2 50.036 . . . . . . . . . . . . . 51947 3 63 3 6.760 . . . . . . . . . . . . . 51947 3 64 1 112.028 . . . . . . . . . . . . . 51947 3 64 2 36.119 . . . . . . . . . . . . . 51947 3 64 3 6.760 . . . . . . . . . . . . . 51947 3 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 108.840 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 3 1 2 . . . 39.161 . . . . . . 371 LEU CB . . . . . . . . . . . . 51947 3 1 3 . . . 8.395 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 3 2 1 . . . 108.834 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 3 2 2 . . . 52.512 . . . . . . 371 LEU CA . . . . . . . . . . . . 51947 3 2 3 . . . 8.395 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 3 3 1 . . . 113.796 . . . . . . 367 THR N . . . . . . . . . . . . 51947 3 3 2 . . . 42.365 . . . . . . 366 GLY CA . . . . . . . . . . . . 51947 3 3 3 . . . 8.184 . . . . . . 367 THR H . . . . . . . . . . . . 51947 3 4 1 . . . 113.616 . . . . . . 373 THR N . . . . . . . . . . . . 51947 3 4 2 . . . 42.585 . . . . . . 372 GLY CA . . . . . . . . . . . . 51947 3 4 3 . . . 7.869 . . . . . . 373 THR H . . . . . . . . . . . . 51947 3 5 1 . . . 114.054 . . . . . . 398 THR N . . . . . . . . . . . . 51947 3 5 2 . . . 39.275 . . . . . . 397 LEU CB . . . . . . . . . . . . 51947 3 5 3 . . . 7.736 . . . . . . 398 THR H . . . . . . . . . . . . 51947 3 6 1 . . . 114.052 . . . . . . 398 THR N . . . . . . . . . . . . 51947 3 6 2 . . . 51.970 . . . . . . 397 LEU CA . . . . . . . . . . . . 51947 3 6 3 . . . 7.737 . . . . . . 398 THR H . . . . . . . . . . . . 51947 3 7 1 . . . 128.954 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 3 7 2 . . . 26.546 . . . . . . 399 TRP CB . . . . . . . . . . . . 51947 3 7 3 . . . 7.550 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 3 8 1 . . . 128.954 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 3 8 2 . . . 53.827 . . . . . . 399 TRP CA . . . . . . . . . . . . 51947 3 8 3 . . . 7.550 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 3 9 1 . . . 125.511 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 3 9 2 . . . 60.654 . . . . . . 388 SER CB . . . . . . . . . . . . 51947 3 9 3 . . . 8.124 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 3 10 1 . . . 125.492 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 3 10 2 . . . 55.763 . . . . . . 388 SER CA . . . . . . . . . . . . 51947 3 10 3 . . . 8.124 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 3 11 1 . . . 124.607 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 3 11 2 . . . 58.899 . . . . . . 373 THR CA . . . . . . . . . . . . 51947 3 11 3 . . . 8.163 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 3 12 1 . . . 124.582 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 3 12 2 . . . 66.770 . . . . . . 373 THR CB . . . . . . . . . . . . 51947 3 12 3 . . . 8.164 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 3 13 1 . . . 123.900 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 3 13 2 . . . 59.300 . . . . . . 369 VAL CA . . . . . . . . . . . . 51947 3 13 3 . . . 8.286 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 3 14 1 . . . 123.921 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 3 14 2 . . . 29.773 . . . . . . 369 VAL CB . . . . . . . . . . . . 51947 3 14 3 . . . 8.286 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 3 15 1 . . . 123.632 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 3 15 2 . . . 38.162 . . . . . . 370 ASP CB . . . . . . . . . . . . 51947 3 15 3 . . . 8.233 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 3 16 1 . . . 123.634 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 3 16 2 . . . 51.254 . . . . . . 370 ASP CA . . . . . . . . . . . . 51947 3 16 3 . . . 8.233 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 3 17 1 . . . 123.559 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 3 17 2 . . . 55.418 . . . . . . 393 SER CA . . . . . . . . . . . . 51947 3 17 3 . . . 8.194 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 3 18 1 . . . 123.590 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 3 18 2 . . . 60.842 . . . . . . 393 SER CB . . . . . . . . . . . . 51947 3 18 3 . . . 8.195 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 3 19 1 . . . 123.785 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 3 19 2 . . . 51.898 . . . . . . 379 LEU CA . . . . . . . . . . . . 51947 3 19 3 . . . 7.971 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 3 20 1 . . . 123.746 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 3 20 2 . . . 38.942 . . . . . . 379 LEU CB . . . . . . . . . . . . 51947 3 20 3 . . . 7.969 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 3 21 1 . . . 123.865 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 3 21 2 . . . 54.169 . . . . . . 396 PHE CA . . . . . . . . . . . . 51947 3 21 3 . . . 7.901 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 3 22 1 . . . 123.881 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 3 22 2 . . . 36.133 . . . . . . 396 PHE CB . . . . . . . . . . . . 51947 3 22 3 . . . 7.900 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 3 23 1 . . . 122.918 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 3 23 2 . . . 66.757 . . . . . . 398 THR CB . . . . . . . . . . . . 51947 3 23 3 . . . 7.856 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 3 24 1 . . . 122.920 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 3 24 2 . . . 58.751 . . . . . . 398 THR CA . . . . . . . . . . . . 51947 3 24 3 . . . 7.856 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 3 25 1 . . . 123.046 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 3 25 2 . . . 59.861 . . . . . . 386 VAL CA . . . . . . . . . . . . 51947 3 25 3 . . . 8.324 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 3 26 1 . . . 123.043 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 3 26 2 . . . 29.463 . . . . . . 386 VAL CB . . . . . . . . . . . . 51947 3 26 3 . . . 8.324 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 3 27 1 . . . 122.945 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 3 27 2 . . . 60.925 . . . . . . 376 SER CB . . . . . . . . . . . . 51947 3 27 3 . . . 8.424 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 3 28 1 . . . 122.939 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 3 28 2 . . . 55.479 . . . . . . 376 SER CA . . . . . . . . . . . . 51947 3 28 3 . . . 8.425 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 3 29 1 . . . 121.980 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 3 29 2 . . . 37.997 . . . . . . 378 ASP CB . . . . . . . . . . . . 51947 3 29 3 . . . 7.949 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 3 30 1 . . . 121.996 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 3 30 2 . . . 51.422 . . . . . . 378 ASP CA . . . . . . . . . . . . 51947 3 30 3 . . . 7.948 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 3 31 1 . . . 121.985 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 3 31 2 . . . 59.892 . . . . . . 381 PRO CA . . . . . . . . . . . . 51947 3 31 3 . . . 8.076 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 3 32 1 . . . 121.984 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 3 32 2 . . . 29.140 . . . . . . 381 PRO CB . . . . . . . . . . . . 51947 3 32 3 . . . 8.076 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 3 33 1 . . . 121.592 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 3 33 2 . . . 35.665 . . . . . . 391 ASN CB . . . . . . . . . . . . 51947 3 33 3 . . . 8.085 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 3 34 1 . . . 121.576 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 3 34 2 . . . 50.217 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 3 34 3 . . . 8.085 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 3 35 1 . . . 121.752 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 3 35 2 . . . 52.242 . . . . . . 374 LEU CA . . . . . . . . . . . . 51947 3 35 3 . . . 8.363 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 3 36 1 . . . 121.756 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 3 36 2 . . . 39.260 . . . . . . 374 LEU CB . . . . . . . . . . . . 51947 3 36 3 . . . 8.363 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 3 37 1 . . . 121.465 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 3 37 2 . . . 58.741 . . . . . . 367 THR CA . . . . . . . . . . . . 51947 3 37 3 . . . 8.430 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 3 38 1 . . . 121.402 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 3 38 2 . . . 66.721 . . . . . . 367 THR CB . . . . . . . . . . . . 51947 3 38 3 . . . 8.430 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 3 39 1 . . . 121.279 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 3 39 2 . . . 36.206 . . . . . . 384 ASN CB . . . . . . . . . . . . 51947 3 39 3 . . . 8.183 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 3 40 1 . . . 121.253 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 3 40 2 . . . 49.999 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 3 40 3 . . . 8.184 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 3 41 1 . . . 120.663 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 3 41 2 . . . 54.305 . . . . . . 383 PHE CA . . . . . . . . . . . . 51947 3 41 3 . . . 8.253 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 3 42 1 . . . 120.632 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 3 42 2 . . . 36.758 . . . . . . 383 PHE CB . . . . . . . . . . . . 51947 3 42 3 . . . 8.253 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 3 43 1 . . . 120.729 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 3 43 2 . . . 27.407 . . . . . . 377 GLU CB . . . . . . . . . . . . 51947 3 43 3 . . . 8.214 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 3 44 1 . . . 120.733 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 3 44 2 . . . 53.805 . . . . . . 377 GLU CA . . . . . . . . . . . . 51947 3 44 3 . . . 8.214 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 3 45 1 . . . 120.378 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 3 45 2 . . . 52.049 . . . . . . 382 LEU CA . . . . . . . . . . . . 51947 3 45 3 . . . 8.073 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 3 46 1 . . . 120.352 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 3 46 2 . . . 39.394 . . . . . . 382 LEU CB . . . . . . . . . . . . 51947 3 46 3 . . . 8.073 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 3 47 1 . . . 120.235 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 3 47 2 . . . 35.701 . . . . . . 368 ASN CB . . . . . . . . . . . . 51947 3 47 3 . . . 8.017 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 3 48 1 . . . 120.229 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 3 48 2 . . . 50.329 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 3 48 3 . . . 8.017 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 3 49 1 . . . 120.000 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 3 49 2 . . . 38.031 . . . . . . 385 ASP CB . . . . . . . . . . . . 51947 3 49 3 . . . 7.961 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 3 50 1 . . . 119.987 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 3 50 2 . . . 51.353 . . . . . . 385 ASP CA . . . . . . . . . . . . 51947 3 50 3 . . . 7.961 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 3 51 1 . . . 119.861 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 3 51 2 . . . 16.103 . . . . . . 389 ALA CB . . . . . . . . . . . . 51947 3 51 3 . . . 7.908 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 3 52 1 . . . 119.861 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 3 52 2 . . . 49.933 . . . . . . 389 ALA CA . . . . . . . . . . . . 51947 3 52 3 . . . 7.907 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 3 53 1 . . . 119.395 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 3 53 2 . . . 28.970 . . . . . . 395 PRO CB . . . . . . . . . . . . 51947 3 53 3 . . . 8.005 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 3 54 1 . . . 119.372 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 3 54 2 . . . 60.306 . . . . . . 395 PRO CA . . . . . . . . . . . . 51947 3 54 3 . . . 8.002 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 3 55 1 . . . 118.650 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 3 55 2 . . . 52.371 . . . . . . 390 LEU CA . . . . . . . . . . . . 51947 3 55 3 . . . 8.132 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 3 56 1 . . . 118.776 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 3 56 2 . . . 39.083 . . . . . . 390 LEU CB . . . . . . . . . . . . 51947 3 56 3 . . . 8.130 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 3 57 1 . . . 116.762 . . . . . . 393 SER N . . . . . . . . . . . . 51947 3 57 2 . . . 29.934 . . . . . . 392 LYS CB . . . . . . . . . . . . 51947 3 57 3 . . . 8.206 . . . . . . 393 SER H . . . . . . . . . . . . 51947 3 58 1 . . . 116.761 . . . . . . 393 SER N . . . . . . . . . . . . 51947 3 58 2 . . . 53.435 . . . . . . 392 LYS CA . . . . . . . . . . . . 51947 3 58 3 . . . 8.204 . . . . . . 393 SER H . . . . . . . . . . . . 51947 3 59 1 . . . 116.250 . . . . . . 388 SER N . . . . . . . . . . . . 51947 3 59 2 . . . 54.078 . . . . . . 387 GLU CA . . . . . . . . . . . . 51947 3 59 3 . . . 8.117 . . . . . . 388 SER H . . . . . . . . . . . . 51947 3 60 1 . . . 116.199 . . . . . . 376 SER N . . . . . . . . . . . . 51947 3 60 2 . . . 53.682 . . . . . . 375 GLU CA . . . . . . . . . . . . 51947 3 60 3 . . . 8.149 . . . . . . 376 SER H . . . . . . . . . . . . 51947 3 61 1 . . . 116.198 . . . . . . 376 SER N . . . . . . . . . . . . 51947 3 61 2 . . . 27.349 . . . . . . 375 GLU CB . . . . . . . . . . . . 51947 3 61 3 . . . 8.149 . . . . . . 376 SER H . . . . . . . . . . . . 51947 3 62 1 . . . 116.211 . . . . . . 388 SER N . . . . . . . . . . . . 51947 3 62 2 . . . 27.046 . . . . . . 387 GLU CB . . . . . . . . . . . . 51947 3 62 3 . . . 8.110 . . . . . . 388 SER H . . . . . . . . . . . . 51947 3 63 1 . . . 112.048 . . . . . . 384 ASN ND2 . . . . . . . . . . . . 51947 3 63 2 . . . 50.036 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 3 63 3 . . . 6.760 . . . . . . 384 ASN HD22 . . . . . . . . . . . . 51947 3 64 1 . . . 112.028 . . . . . . 384 ASN ND2 . . . . . . . . . . . . 51947 3 64 2 . . . 36.119 . . . . . . 384 ASN CB . . . . . . . . . . . . 51947 3 64 3 . . . 6.760 . . . . . . 384 ASN HD22 . . . . . . . . . . . . 51947 3 stop_ loop_ _Peak_row_format.Index_ID _Peak_row_format.ID _Peak_row_format.Peak_ID _Peak_row_format.Volume _Peak_row_format.Volume_uncertainty _Peak_row_format.Height _Peak_row_format.Height_uncertainty _Peak_row_format.Figure_of_merit _Peak_row_format.Restraint _Peak_row_format.Position_1 _Peak_row_format.Position_uncertainty_1 _Peak_row_format.Position_2 _Peak_row_format.Position_uncertainty_2 _Peak_row_format.Position_3 _Peak_row_format.Position_uncertainty_3 _Peak_row_format.Position_4 _Peak_row_format.Position_uncertainty_4 _Peak_row_format.Entity_assembly_ID_1 _Peak_row_format.Entity_ID_1 _Peak_row_format.Comp_index_ID_1 _Peak_row_format.Seq_ID_1 _Peak_row_format.Comp_ID_1 _Peak_row_format.Atom_ID_1 _Peak_row_format.Ambiguity_code_1 _Peak_row_format.Ambiguity_set_ID_1 _Peak_row_format.Entity_assembly_ID_2 _Peak_row_format.Entity_ID_2 _Peak_row_format.Comp_index_ID_2 _Peak_row_format.Seq_ID_2 _Peak_row_format.Comp_ID_2 _Peak_row_format.Atom_ID_2 _Peak_row_format.Ambiguity_code_2 _Peak_row_format.Ambiguity_set_ID_2 _Peak_row_format.Entity_assembly_ID_3 _Peak_row_format.Entity_ID_3 _Peak_row_format.Comp_index_ID_3 _Peak_row_format.Seq_ID_3 _Peak_row_format.Comp_ID_3 _Peak_row_format.Atom_ID_3 _Peak_row_format.Ambiguity_code_3 _Peak_row_format.Ambiguity_set_ID_3 _Peak_row_format.Entity_assembly_ID_4 _Peak_row_format.Entity_ID_4 _Peak_row_format.Comp_index_ID_4 _Peak_row_format.Seq_ID_4 _Peak_row_format.Comp_ID_4 _Peak_row_format.Atom_ID_4 _Peak_row_format.Ambiguity_code_4 _Peak_row_format.Ambiguity_set_ID_4 _Peak_row_format.Entry_ID _Peak_row_format.Spectral_peak_list_ID . 1 . . . -1680221798400.000000 . . . 108.840 . 39.161 . 8.395 . . . . . 372 . GLY N . . . . 371 . LEU CB . . . . 372 . GLY H . . . . . . . . . . 51947 3 . 10 . . . -277117894656.000000 . . . 125.492 . 55.763 . 8.124 . . . . . 389 . ALA N . . . . 388 . SER CA . . . . 389 . ALA H . . . . . . . . . . 51947 3 . 11 . . . -442279395328.000000 . . . 124.607 . 58.899 . 8.163 . . . . . 374 . LEU N . . . . 373 . THR CA . . . . 374 . LEU H . . . . . . . . . . 51947 3 . 12 . . . -553403023360.000000 . . . 124.582 . 66.770 . 8.164 . . . . . 374 . LEU N . . . . 373 . THR CB . . . . 374 . LEU H . . . . . . . . . . 51947 3 . 13 . . . -567341350912.000000 . . . 123.900 . 59.300 . 8.286 . . . . . 370 . ASP N . . . . 369 . VAL CA . . . . 370 . ASP H . . . . . . . . . . 51947 3 . 14 . . . -240629940224.000000 . . . 123.921 . 29.773 . 8.286 . . . . . 370 . ASP N . . . . 369 . VAL CB . . . . 370 . ASP H . . . . . . . . . . 51947 3 . 15 . . . -1117784375296.000000 . . . 123.632 . 38.162 . 8.233 . . . . . 371 . LEU N . . . . 370 . ASP CB . . . . 371 . LEU H . . . . . . . . . . 51947 3 . 16 . . . -651308171264.000000 . . . 123.634 . 51.254 . 8.233 . . . . . 371 . LEU N . . . . 370 . ASP CA . . . . 371 . LEU H . . . . . . . . . . 51947 3 . 17 . . . -319816794112.000000 . . . 123.559 . 55.418 . 8.194 . . . . . 394 . GLU N . . . . 393 . SER CA . . . . 394 . GLU H . . . . . . . . . . 51947 3 . 18 . . . -616523431936.000000 . . . 123.590 . 60.842 . 8.195 . . . . . 394 . GLU N . . . . 393 . SER CB . . . . 394 . GLU H . . . . . . . . . . 51947 3 . 19 . . . -245343076352.000000 . . . 123.785 . 51.898 . 7.971 . . . . . 380 . ILE N . . . . 379 . LEU CA . . . . 380 . ILE H . . . . . . . . . . 51947 3 . 2 . . . -2266465828864.000000 . . . 108.834 . 52.512 . 8.395 . . . . . 372 . GLY N . . . . 371 . LEU CA . . . . 372 . GLY H . . . . . . . . . . 51947 3 . 20 . . . -186647724032.000000 . . . 123.746 . 38.942 . 7.969 . . . . . 380 . ILE N . . . . 379 . LEU CB . . . . 380 . ILE H . . . . . . . . . . 51947 3 . 21 . . . -156993552384.000000 . . . 123.865 . 54.169 . 7.901 . . . . . 397 . LEU N . . . . 396 . PHE CA . . . . 397 . LEU H . . . . . . . . . . 51947 3 . 22 . . . -147255885824.000000 . . . 123.881 . 36.133 . 7.900 . . . . . 397 . LEU N . . . . 396 . PHE CB . . . . 397 . LEU H . . . . . . . . . . 51947 3 . 23 . . . -285860397056.000000 . . . 122.918 . 66.757 . 7.856 . . . . . 399 . TRP N . . . . 398 . THR CB . . . . 399 . TRP H . . . . . . . . . . 51947 3 . 24 . . . -282536968192.000000 . . . 122.920 . 58.751 . 7.856 . . . . . 399 . TRP N . . . . 398 . THR CA . . . . 399 . TRP H . . . . . . . . . . 51947 3 . 25 . . . -447809880064.000000 . . . 123.046 . 59.861 . 8.324 . . . . . 387 . GLU N . . . . 386 . VAL CA . . . . 387 . GLU H . . . . . . . . . . 51947 3 . 26 . . . -197790203904.000000 . . . 123.043 . 29.463 . 8.324 . . . . . 387 . GLU N . . . . 386 . VAL CB . . . . 387 . GLU H . . . . . . . . . . 51947 3 . 27 . . . -993924415488.000000 . . . 122.945 . 60.925 . 8.424 . . . . . 377 . GLU N . . . . 376 . SER CB . . . . 377 . GLU H . . . . . . . . . . 51947 3 . 28 . . . -505885818880.000000 . . . 122.939 . 55.479 . 8.425 . . . . . 377 . GLU N . . . . 376 . SER CA . . . . 377 . GLU H . . . . . . . . . . 51947 3 . 29 . . . -1055776899072.000000 . . . 121.980 . 37.997 . 7.949 . . . . . 379 . LEU N . . . . 378 . ASP CB . . . . 379 . LEU H . . . . . . . . . . 51947 3 . 3 . . . -8305445437440.000000 . . . 113.796 . 42.365 . 8.184 . . . . . 367 . THR N . . . . 366 . GLY CA . . . . 367 . THR H . . . . . . . . . . 51947 3 . 30 . . . -592784850944.000000 . . . 121.996 . 51.422 . 7.948 . . . . . 379 . LEU N . . . . 378 . ASP CA . . . . 379 . LEU H . . . . . . . . . . 51947 3 . 31 . . . -477144252416.000000 . . . 121.985 . 59.892 . 8.076 . . . . . 382 . LEU N . . . . 381 . PRO CA . . . . 382 . LEU H . . . . . . . . . . 51947 3 . 32 . . . -344540413952.000000 . . . 121.984 . 29.140 . 8.076 . . . . . 382 . LEU N . . . . 381 . PRO CB . . . . 382 . LEU H . . . . . . . . . . 51947 3 . 33 . . . -455157121024.000000 . . . 121.592 . 35.665 . 8.085 . . . . . 392 . LYS N . . . . 391 . ASN CB . . . . 392 . LYS H . . . . . . . . . . 51947 3 . 34 . . . -236649037824.000000 . . . 121.576 . 50.217 . 8.085 . . . . . 392 . LYS N . . . . 391 . ASN CA . . . . 392 . LYS H . . . . . . . . . . 51947 3 . 35 . . . -351174295552.000000 . . . 121.752 . 52.242 . 8.363 . . . . . 375 . GLU N . . . . 374 . LEU CA . . . . 375 . GLU H . . . . . . . . . . 51947 3 . 36 . . . -263242301440.000000 . . . 121.756 . 39.260 . 8.363 . . . . . 375 . GLU N . . . . 374 . LEU CB . . . . 375 . GLU H . . . . . . . . . . 51947 3 . 37 . . . -400189030400.000000 . . . 121.465 . 58.741 . 8.430 . . . . . 368 . ASN N . . . . 367 . THR CA . . . . 368 . ASN H . . . . . . . . . . 51947 3 . 38 . . . -478846484480.000000 . . . 121.402 . 66.721 . 8.430 . . . . . 368 . ASN N . . . . 367 . THR CB . . . . 368 . ASN H . . . . . . . . . . 51947 3 . 39 . . . -924519301120.000000 . . . 121.279 . 36.206 . 8.183 . . . . . 385 . ASP N . . . . 384 . ASN CB . . . . 385 . ASP H . . . . . . . . . . 51947 3 . 4 . . . -9418534027264.000000 . . . 113.616 . 42.585 . 7.869 . . . . . 373 . THR N . . . . 372 . GLY CA . . . . 373 . THR H . . . . . . . . . . 51947 3 . 40 . . . -555070717952.000000 . . . 121.253 . 49.999 . 8.184 . . . . . 385 . ASP N . . . . 384 . ASN CA . . . . 385 . ASP H . . . . . . . . . . 51947 3 . 41 . . . -183680385024.000000 . . . 120.663 . 54.305 . 8.253 . . . . . 384 . ASN N . . . . 383 . PHE CA . . . . 384 . ASN H . . . . . . . . . . 51947 3 . 42 . . . -241220993024.000000 . . . 120.632 . 36.758 . 8.253 . . . . . 384 . ASN N . . . . 383 . PHE CB . . . . 384 . ASN H . . . . . . . . . . 51947 3 . 43 . . . -557787316224.000000 . . . 120.729 . 27.407 . 8.214 . . . . . 378 . ASP N . . . . 377 . GLU CB . . . . 378 . ASP H . . . . . . . . . . 51947 3 . 44 . . . -749780992000.000000 . . . 120.733 . 53.805 . 8.214 . . . . . 378 . ASP N . . . . 377 . GLU CA . . . . 378 . ASP H . . . . . . . . . . 51947 3 . 45 . . . -262033391616.000000 . . . 120.378 . 52.049 . 8.073 . . . . . 383 . PHE N . . . . 382 . LEU CA . . . . 383 . PHE H . . . . . . . . . . 51947 3 . 46 . . . -240067837952.000000 . . . 120.352 . 39.394 . 8.073 . . . . . 383 . PHE N . . . . 382 . LEU CB . . . . 383 . PHE H . . . . . . . . . . 51947 3 . 47 . . . -1020832120832.000000 . . . 120.235 . 35.701 . 8.017 . . . . . 369 . VAL N . . . . 368 . ASN CB . . . . 369 . VAL H . . . . . . . . . . 51947 3 . 48 . . . -550642122752.000000 . . . 120.229 . 50.329 . 8.017 . . . . . 369 . VAL N . . . . 368 . ASN CA . . . . 369 . VAL H . . . . . . . . . . 51947 3 . 49 . . . -1095640678400.000000 . . . 120.000 . 38.031 . 7.961 . . . . . 386 . VAL N . . . . 385 . ASP CB . . . . 386 . VAL H . . . . . . . . . . 51947 3 . 5 . . . -724318617600.000000 . . . 114.054 . 39.275 . 7.736 . . . . . 398 . THR N . . . . 397 . LEU CB . . . . 398 . THR H . . . . . . . . . . 51947 3 . 50 . . . -642514616320.000000 . . . 119.987 . 51.353 . 7.961 . . . . . 386 . VAL N . . . . 385 . ASP CA . . . . 386 . VAL H . . . . . . . . . . 51947 3 . 51 . . . -622298529792.000000 . . . 119.861 . 16.103 . 7.908 . . . . . 390 . LEU N . . . . 389 . ALA CB . . . . 390 . LEU H . . . . . . . . . . 51947 3 . 52 . . . -590063992832.000000 . . . 119.861 . 49.933 . 7.907 . . . . . 390 . LEU N . . . . 389 . ALA CA . . . . 390 . LEU H . . . . . . . . . . 51947 3 . 53 . . . -261209489408.000000 . . . 119.395 . 28.970 . 8.005 . . . . . 396 . PHE N . . . . 395 . PRO CB . . . . 396 . PHE H . . . . . . . . . . 51947 3 . 54 . . . -343653744640.000000 . . . 119.372 . 60.306 . 8.002 . . . . . 396 . PHE N . . . . 395 . PRO CA . . . . 396 . PHE H . . . . . . . . . . 51947 3 . 55 . . . -196986765312.000000 . . . 118.650 . 52.371 . 8.132 . . . . . 391 . ASN N . . . . 390 . LEU CA . . . . 391 . ASN H . . . . . . . . . . 51947 3 . 56 . . . -219495235584.000000 . . . 118.776 . 39.083 . 8.130 . . . . . 391 . ASN N . . . . 390 . LEU CB . . . . 391 . ASN H . . . . . . . . . . 51947 3 . 57 . . . -203209408512.000000 . . . 116.762 . 29.934 . 8.206 . . . . . 393 . SER N . . . . 392 . LYS CB . . . . 393 . SER H . . . . . . . . . . 51947 3 . 58 . . . -303558557696.000000 . . . 116.761 . 53.435 . 8.204 . . . . . 393 . SER N . . . . 392 . LYS CA . . . . 393 . SER H . . . . . . . . . . 51947 3 . 59 . . . -3895359700992.000000 . . . 116.250 . 54.078 . 8.117 . . . . . 388 . SER N . . . . 387 . GLU CA . . . . 388 . SER H . . . . . . . . . . 51947 3 . 6 . . . -1006968307712.000000 . . . 114.052 . 51.970 . 7.737 . . . . . 398 . THR N . . . . 397 . LEU CA . . . . 398 . THR H . . . . . . . . . . 51947 3 . 60 . . . -5005130072064.000000 . . . 116.199 . 53.682 . 8.149 . . . . . 376 . SER N . . . . 375 . GLU CA . . . . 376 . SER H . . . . . . . . . . 51947 3 . 61 . . . -4047745843200.000000 . . . 116.198 . 27.349 . 8.149 . . . . . 376 . SER N . . . . 375 . GLU CB . . . . 376 . SER H . . . . . . . . . . 51947 3 . 62 . . . -2245385519104.000000 . . . 116.211 . 27.046 . 8.110 . . . . . 388 . SER N . . . . 387 . GLU CB . . . . 388 . SER H . . . . . . . . . . 51947 3 . 63 . . . -575537807360.000000 . . . 112.048 . 50.036 . 6.760 . . . . . 384 . ASN ND2 . . . . 384 . ASN CA . . . . 384 . ASN HD22 . . . . . . . . . . 51947 3 . 64 . . . -520941404160.000000 . . . 112.028 . 36.119 . 6.760 . . . . . 384 . ASN ND2 . . . . 384 . ASN CB . . . . 384 . ASN HD22 . . . . . . . . . . 51947 3 . 7 . . . -456694530048.000000 . . . 128.954 . 26.546 . 7.550 . . . . . 400 . LEU N . . . . 399 . TRP CB . . . . 400 . LEU H . . . . . . . . . . 51947 3 . 8 . . . -386896756736.000000 . . . 128.954 . 53.827 . 7.550 . . . . . 400 . LEU N . . . . 399 . TRP CA . . . . 400 . LEU H . . . . . . . . . . 51947 3 . 9 . . . -540998336512.000000 . . . 125.511 . 60.654 . 8.124 . . . . . 389 . ALA N . . . . 388 . SER CB . . . . 389 . ALA H . . . . . . . . . . 51947 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 51947 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name 'peak list 4 hnca scrub' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HNCA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 . . N 15 N* . 'not observed' 2725 Hz . . . . . . 51947 4 2 . . C 13 C* . 'not observed' 5000 Hz . . . . . . 51947 4 3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 4 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 3 $software_3 . . 51947 4 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 -6765852753920.000000 . height 51947 4 2 -239385739264.000000 . height 51947 4 3 -132742864896.000000 . height 51947 4 4 -3866016874496.000000 . height 51947 4 5 -1601292206080.000000 . height 51947 4 6 -2404192354304.000000 . height 51947 4 7 -386250735616.000000 . height 51947 4 8 0.0 . height 51947 4 9 -333278707712.000000 . height 51947 4 10 -376795725824.000000 . height 51947 4 11 -247863902208.000000 . height 51947 4 12 -914752667648.000000 . height 51947 4 13 -462098726912.000000 . height 51947 4 14 -274883575808.000000 . height 51947 4 15 -409878560768.000000 . height 51947 4 16 -468899528704.000000 . height 51947 4 17 -143015247872.000000 . height 51947 4 18 -192939982848.000000 . height 51947 4 19 -68928126976.000000 . height 51947 4 20 -120924209152.000000 . height 51947 4 21 -241814405120.000000 . height 51947 4 22 -830381000000.000000 . height 51947 4 23 -214440443904.000000 . height 51947 4 24 -1954982920192.000000 . height 51947 4 25 -367903703040.000000 . height 51947 4 26 -472908234752.000000 . height 51947 4 27 -416571981824.000000 . height 51947 4 28 -326599573504.000000 . height 51947 4 29 -252718661632.000000 . height 51947 4 30 -83085721600.000000 . height 51947 4 31 -1187406020608.000000 . height 51947 4 32 -90068885504.000000 . height 51947 4 33 -119809114112.000000 . height 51947 4 34 -314574929920.000000 . height 51947 4 35 -563054051328.000000 . height 51947 4 36 -209265852416.000000 . height 51947 4 37 -927459573760.000000 . height 51947 4 38 -371192627200.000000 . height 51947 4 39 -298659741696.000000 . height 51947 4 40 -256489111552.000000 . height 51947 4 41 -519891714048.000000 . height 51947 4 42 -280884281344.000000 . height 51947 4 43 -617642328064.000000 . height 51947 4 44 -381439311872.000000 . height 51947 4 45 -265285156864.000000 . height 51947 4 46 -290765930496.000000 . height 51947 4 47 -152529092608.000000 . height 51947 4 48 -228187897856.000000 . height 51947 4 49 -2505647849472.000000 . height 51947 4 50 -5386843193344.000000 . height 51947 4 51 -1904161193984.000000 . height 51947 4 52 -3311273508864.000000 . height 51947 4 53 -180802797568.000000 . height 51947 4 54 0.0 . height 51947 4 55 -133645877248.000000 . height 51947 4 56 -496131833856.000000 . height 51947 4 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 108.851 . . . . . . . . . . . . . 51947 4 1 2 42.513 . . . . . . . . . . . . . 51947 4 1 3 8.398 . . . . . . . . . . . . . 51947 4 2 1 113.776 . . . . . . . . . . . . . 51947 4 2 2 58.785 . . . . . . . . . . . . . 51947 4 2 3 8.187 . . . . . . . . . . . . . 51947 4 3 1 113.744 . . . . . . . . . . . . . 51947 4 3 2 42.263 . . . . . . . . . . . . . 51947 4 3 3 8.185 . . . . . . . . . . . . . 51947 4 4 1 113.588 . . . . . . . . . . . . . 51947 4 4 2 58.881 . . . . . . . . . . . . . 51947 4 4 3 7.870 . . . . . . . . . . . . . 51947 4 5 1 113.605 . . . . . . . . . . . . . 51947 4 5 2 42.496 . . . . . . . . . . . . . 51947 4 5 3 7.875 . . . . . . . . . . . . . 51947 4 6 1 114.039 . . . . . . . . . . . . . 51947 4 6 2 58.713 . . . . . . . . . . . . . 51947 4 6 3 7.738 . . . . . . . . . . . . . 51947 4 7 1 113.987 . . . . . . . . . . . . . 51947 4 7 2 51.943 . . . . . . . . . . . . . 51947 4 7 3 7.737 . . . . . . . . . . . . . 51947 4 8 1 125.379 . . . . . . . . . . . . . 51947 4 8 2 49.878 . . . . . . . . . . . . . 51947 4 8 3 8.125 . . . . . . . . . . . . . 51947 4 9 1 124.457 . . . . . . . . . . . . . 51947 4 9 2 58.856 . . . . . . . . . . . . . 51947 4 9 3 8.165 . . . . . . . . . . . . . 51947 4 10 1 124.458 . . . . . . . . . . . . . 51947 4 10 2 52.294 . . . . . . . . . . . . . 51947 4 10 3 8.164 . . . . . . . . . . . . . 51947 4 11 1 123.797 . . . . . . . . . . . . . 51947 4 11 2 59.364 . . . . . . . . . . . . . 51947 4 11 3 8.287 . . . . . . . . . . . . . 51947 4 12 1 123.794 . . . . . . . . . . . . . 51947 4 12 2 51.180 . . . . . . . . . . . . . 51947 4 12 3 8.287 . . . . . . . . . . . . . 51947 4 13 1 123.516 . . . . . . . . . . . . . 51947 4 13 2 51.193 . . . . . . . . . . . . . 51947 4 13 3 8.233 . . . . . . . . . . . . . 51947 4 14 1 123.483 . . . . . . . . . . . . . 51947 4 14 2 52.530 . . . . . . . . . . . . . 51947 4 14 3 8.233 . . . . . . . . . . . . . 51947 4 15 1 123.499 . . . . . . . . . . . . . 51947 4 15 2 51.450 . . . . . . . . . . . . . 51947 4 15 3 8.196 . . . . . . . . . . . . . 51947 4 16 1 123.640 . . . . . . . . . . . . . 51947 4 16 2 55.817 . . . . . . . . . . . . . 51947 4 16 3 7.972 . . . . . . . . . . . . . 51947 4 17 1 123.590 . . . . . . . . . . . . . 51947 4 17 2 51.998 . . . . . . . . . . . . . 51947 4 17 3 7.970 . . . . . . . . . . . . . 51947 4 18 1 123.747 . . . . . . . . . . . . . 51947 4 18 2 51.952 . . . . . . . . . . . . . 51947 4 18 3 7.901 . . . . . . . . . . . . . 51947 4 19 1 123.711 . . . . . . . . . . . . . 51947 4 19 2 54.284 . . . . . . . . . . . . . 51947 4 19 3 7.901 . . . . . . . . . . . . . 51947 4 20 1 122.803 . . . . . . . . . . . . . 51947 4 20 2 58.673 . . . . . . . . . . . . . 51947 4 20 3 7.858 . . . . . . . . . . . . . 51947 4 21 1 122.928 . . . . . . . . . . . . . 51947 4 21 2 59.945 . . . . . . . . . . . . . 51947 4 21 3 8.324 . . . . . . . . . . . . . 51947 4 22 1 122.944 . . . . . . . . . . . . . 51947 4 22 2 54.206 . . . . . . . . . . . . . 51947 4 22 3 8.325 . . . . . . . . . . . . . 51947 4 23 1 122.885 . . . . . . . . . . . . . 51947 4 23 2 55.377 . . . . . . . . . . . . . 51947 4 23 3 8.426 . . . . . . . . . . . . . 51947 4 24 1 122.883 . . . . . . . . . . . . . 51947 4 24 2 53.761 . . . . . . . . . . . . . 51947 4 24 3 8.410 . . . . . . . . . . . . . 51947 4 25 1 121.847 . . . . . . . . . . . . . 51947 4 25 2 52.008 . . . . . . . . . . . . . 51947 4 25 3 7.950 . . . . . . . . . . . . . 51947 4 26 1 121.861 . . . . . . . . . . . . . 51947 4 26 2 51.400 . . . . . . . . . . . . . 51947 4 26 3 7.949 . . . . . . . . . . . . . 51947 4 27 1 121.886 . . . . . . . . . . . . . 51947 4 27 2 60.028 . . . . . . . . . . . . . 51947 4 27 3 8.077 . . . . . . . . . . . . . 51947 4 28 1 121.878 . . . . . . . . . . . . . 51947 4 28 2 52.042 . . . . . . . . . . . . . 51947 4 28 3 8.076 . . . . . . . . . . . . . 51947 4 29 1 121.481 . . . . . . . . . . . . . 51947 4 29 2 53.300 . . . . . . . . . . . . . 51947 4 29 3 8.086 . . . . . . . . . . . . . 51947 4 30 1 121.513 . . . . . . . . . . . . . 51947 4 30 2 50.293 . . . . . . . . . . . . . 51947 4 30 3 8.085 . . . . . . . . . . . . . 51947 4 31 1 121.677 . . . . . . . . . . . . . 51947 4 31 2 53.608 . . . . . . . . . . . . . 51947 4 31 3 8.364 . . . . . . . . . . . . . 51947 4 32 1 121.653 . . . . . . . . . . . . . 51947 4 32 2 52.302 . . . . . . . . . . . . . 51947 4 32 3 8.363 . . . . . . . . . . . . . 51947 4 33 1 121.146 . . . . . . . . . . . . . 51947 4 33 2 58.763 . . . . . . . . . . . . . 51947 4 33 3 8.428 . . . . . . . . . . . . . 51947 4 34 1 121.305 . . . . . . . . . . . . . 51947 4 34 2 50.316 . . . . . . . . . . . . . 51947 4 34 3 8.431 . . . . . . . . . . . . . 51947 4 35 1 121.171 . . . . . . . . . . . . . 51947 4 35 2 51.317 . . . . . . . . . . . . . 51947 4 35 3 8.185 . . . . . . . . . . . . . 51947 4 36 1 121.163 . . . . . . . . . . . . . 51947 4 36 2 50.007 . . . . . . . . . . . . . 51947 4 36 3 8.184 . . . . . . . . . . . . . 51947 4 37 1 120.640 . . . . . . . . . . . . . 51947 4 37 2 51.401 . . . . . . . . . . . . . 51947 4 37 3 8.215 . . . . . . . . . . . . . 51947 4 38 1 120.637 . . . . . . . . . . . . . 51947 4 38 2 53.778 . . . . . . . . . . . . . 51947 4 38 3 8.215 . . . . . . . . . . . . . 51947 4 39 1 120.286 . . . . . . . . . . . . . 51947 4 39 2 54.381 . . . . . . . . . . . . . 51947 4 39 3 8.073 . . . . . . . . . . . . . 51947 4 40 1 120.265 . . . . . . . . . . . . . 51947 4 40 2 52.084 . . . . . . . . . . . . . 51947 4 40 3 8.075 . . . . . . . . . . . . . 51947 4 41 1 120.142 . . . . . . . . . . . . . 51947 4 41 2 59.300 . . . . . . . . . . . . . 51947 4 41 3 8.018 . . . . . . . . . . . . . 51947 4 42 1 120.140 . . . . . . . . . . . . . 51947 4 42 2 50.367 . . . . . . . . . . . . . 51947 4 42 3 8.019 . . . . . . . . . . . . . 51947 4 43 1 119.908 . . . . . . . . . . . . . 51947 4 43 2 59.979 . . . . . . . . . . . . . 51947 4 43 3 7.961 . . . . . . . . . . . . . 51947 4 44 1 119.896 . . . . . . . . . . . . . 51947 4 44 2 51.333 . . . . . . . . . . . . . 51947 4 44 3 7.962 . . . . . . . . . . . . . 51947 4 45 1 119.749 . . . . . . . . . . . . . 51947 4 45 2 52.475 . . . . . . . . . . . . . 51947 4 45 3 7.908 . . . . . . . . . . . . . 51947 4 46 1 119.768 . . . . . . . . . . . . . 51947 4 46 2 49.852 . . . . . . . . . . . . . 51947 4 46 3 7.908 . . . . . . . . . . . . . 51947 4 47 1 119.312 . . . . . . . . . . . . . 51947 4 47 2 54.360 . . . . . . . . . . . . . 51947 4 47 3 8.003 . . . . . . . . . . . . . 51947 4 48 1 119.268 . . . . . . . . . . . . . 51947 4 48 2 60.366 . . . . . . . . . . . . . 51947 4 48 3 8.004 . . . . . . . . . . . . . 51947 4 49 1 118.680 . . . . . . . . . . . . . 51947 4 49 2 50.259 . . . . . . . . . . . . . 51947 4 49 3 8.141 . . . . . . . . . . . . . 51947 4 50 1 116.064 . . . . . . . . . . . . . 51947 4 50 2 55.383 . . . . . . . . . . . . . 51947 4 50 3 8.153 . . . . . . . . . . . . . 51947 4 51 1 116.062 . . . . . . . . . . . . . 51947 4 51 2 53.626 . . . . . . . . . . . . . 51947 4 51 3 8.152 . . . . . . . . . . . . . 51947 4 52 1 116.173 . . . . . . . . . . . . . 51947 4 52 2 55.828 . . . . . . . . . . . . . 51947 4 52 3 8.118 . . . . . . . . . . . . . 51947 4 53 1 116.164 . . . . . . . . . . . . . 51947 4 53 2 54.191 . . . . . . . . . . . . . 51947 4 53 3 8.120 . . . . . . . . . . . . . 51947 4 54 1 122.767 . . . . . . . . . . . . . 51947 4 54 2 53.776 . . . . . . . . . . . . . 51947 4 54 3 7.864 . . . . . . . . . . . . . 51947 4 55 1 123.472 . . . . . . . . . . . . . 51947 4 55 2 55.352 . . . . . . . . . . . . . 51947 4 55 3 8.194 . . . . . . . . . . . . . 51947 4 56 1 120.562 . . . . . . . . . . . . . 51947 4 56 2 50.002 . . . . . . . . . . . . . 51947 4 56 3 8.254 . . . . . . . . . . . . . 51947 4 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 108.851 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 4 1 2 . . . 42.513 . . . . . . 372 GLY CA . . . . . . . . . . . . 51947 4 1 3 . . . 8.398 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 4 2 1 . . . 113.776 . . . . . . 367 THR N . . . . . . . . . . . . 51947 4 2 2 . . . 58.785 . . . . . . 367 THR CA . . . . . . . . . . . . 51947 4 2 3 . . . 8.187 . . . . . . 367 THR H . . . . . . . . . . . . 51947 4 3 1 . . . 113.744 . . . . . . 367 THR N . . . . . . . . . . . . 51947 4 3 2 . . . 42.263 . . . . . . 366 GLY CA . . . . . . . . . . . . 51947 4 3 3 . . . 8.185 . . . . . . 367 THR H . . . . . . . . . . . . 51947 4 4 1 . . . 113.588 . . . . . . 373 THR N . . . . . . . . . . . . 51947 4 4 2 . . . 58.881 . . . . . . 373 THR CA . . . . . . . . . . . . 51947 4 4 3 . . . 7.870 . . . . . . 373 THR H . . . . . . . . . . . . 51947 4 5 1 . . . 113.605 . . . . . . 373 THR N . . . . . . . . . . . . 51947 4 5 2 . . . 42.496 . . . . . . 372 GLY CA . . . . . . . . . . . . 51947 4 5 3 . . . 7.875 . . . . . . 373 THR H . . . . . . . . . . . . 51947 4 6 1 . . . 114.039 . . . . . . 398 THR N . . . . . . . . . . . . 51947 4 6 2 . . . 58.713 . . . . . . 398 THR CA . . . . . . . . . . . . 51947 4 6 3 . . . 7.738 . . . . . . 398 THR H . . . . . . . . . . . . 51947 4 7 1 . . . 113.987 . . . . . . 398 THR N . . . . . . . . . . . . 51947 4 7 2 . . . 51.943 . . . . . . 397 LEU CA . . . . . . . . . . . . 51947 4 7 3 . . . 7.737 . . . . . . 398 THR H . . . . . . . . . . . . 51947 4 8 1 . . . 125.379 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 4 8 2 . . . 49.878 . . . . . . 389 ALA CA . . . . . . . . . . . . 51947 4 8 3 . . . 8.125 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 4 9 1 . . . 124.457 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 4 9 2 . . . 58.856 . . . . . . 373 THR CA . . . . . . . . . . . . 51947 4 9 3 . . . 8.165 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 4 10 1 . . . 124.458 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 4 10 2 . . . 52.294 . . . . . . 374 LEU CA . . . . . . . . . . . . 51947 4 10 3 . . . 8.164 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 4 11 1 . . . 123.797 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 4 11 2 . . . 59.364 . . . . . . 369 VAL CA . . . . . . . . . . . . 51947 4 11 3 . . . 8.287 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 4 12 1 . . . 123.794 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 4 12 2 . . . 51.180 . . . . . . 370 ASP CA . . . . . . . . . . . . 51947 4 12 3 . . . 8.287 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 4 13 1 . . . 123.516 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 4 13 2 . . . 51.193 . . . . . . 370 ASP CA . . . . . . . . . . . . 51947 4 13 3 . . . 8.233 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 4 14 1 . . . 123.483 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 4 14 2 . . . 52.530 . . . . . . 371 LEU CA . . . . . . . . . . . . 51947 4 14 3 . . . 8.233 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 4 15 1 . . . 123.499 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 4 15 2 . . . 51.450 . . . . . . 394 GLU CA . . . . . . . . . . . . 51947 4 15 3 . . . 8.196 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 4 16 1 . . . 123.640 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 4 16 2 . . . 55.817 . . . . . . 380 ILE CA . . . . . . . . . . . . 51947 4 16 3 . . . 7.972 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 4 17 1 . . . 123.590 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 4 17 2 . . . 51.998 . . . . . . 379 LEU CA . . . . . . . . . . . . 51947 4 17 3 . . . 7.970 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 4 18 1 . . . 123.747 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 4 18 2 . . . 51.952 . . . . . . 397 LEU CA . . . . . . . . . . . . 51947 4 18 3 . . . 7.901 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 4 19 1 . . . 123.711 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 4 19 2 . . . 54.284 . . . . . . 396 PHE CA . . . . . . . . . . . . 51947 4 19 3 . . . 7.901 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 4 20 1 . . . 122.803 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 4 20 2 . . . 58.673 . . . . . . 398 THR CA . . . . . . . . . . . . 51947 4 20 3 . . . 7.858 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 4 21 1 . . . 122.928 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 4 21 2 . . . 59.945 . . . . . . 386 VAL CA . . . . . . . . . . . . 51947 4 21 3 . . . 8.324 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 4 22 1 . . . 122.944 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 4 22 2 . . . 54.206 . . . . . . 387 GLU CA . . . . . . . . . . . . 51947 4 22 3 . . . 8.325 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 4 23 1 . . . 122.885 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 4 23 2 . . . 55.377 . . . . . . 376 SER CA . . . . . . . . . . . . 51947 4 23 3 . . . 8.426 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 4 24 1 . . . 122.883 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 4 24 2 . . . 53.761 . . . . . . 377 GLU CA . . . . . . . . . . . . 51947 4 24 3 . . . 8.410 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 4 25 1 . . . 121.847 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 4 25 2 . . . 52.008 . . . . . . 379 LEU CA . . . . . . . . . . . . 51947 4 25 3 . . . 7.950 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 4 26 1 . . . 121.861 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 4 26 2 . . . 51.400 . . . . . . 378 ASP CA . . . . . . . . . . . . 51947 4 26 3 . . . 7.949 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 4 27 1 . . . 121.886 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 4 27 2 . . . 60.028 . . . . . . 381 PRO CA . . . . . . . . . . . . 51947 4 27 3 . . . 8.077 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 4 28 1 . . . 121.878 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 4 28 2 . . . 52.042 . . . . . . 382 LEU CA . . . . . . . . . . . . 51947 4 28 3 . . . 8.076 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 4 29 1 . . . 121.481 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 4 29 2 . . . 53.300 . . . . . . 392 LYS CA . . . . . . . . . . . . 51947 4 29 3 . . . 8.086 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 4 30 1 . . . 121.513 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 4 30 2 . . . 50.293 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 4 30 3 . . . 8.085 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 4 31 1 . . . 121.677 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 4 31 2 . . . 53.608 . . . . . . 375 GLU CA . . . . . . . . . . . . 51947 4 31 3 . . . 8.364 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 4 32 1 . . . 121.653 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 4 32 2 . . . 52.302 . . . . . . 374 LEU CA . . . . . . . . . . . . 51947 4 32 3 . . . 8.363 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 4 33 1 . . . 121.146 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 4 33 2 . . . 58.763 . . . . . . 367 THR CA . . . . . . . . . . . . 51947 4 33 3 . . . 8.428 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 4 34 1 . . . 121.305 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 4 34 2 . . . 50.316 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 4 34 3 . . . 8.431 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 4 35 1 . . . 121.171 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 4 35 2 . . . 51.317 . . . . . . 385 ASP CA . . . . . . . . . . . . 51947 4 35 3 . . . 8.185 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 4 36 1 . . . 121.163 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 4 36 2 . . . 50.007 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 4 36 3 . . . 8.184 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 4 37 1 . . . 120.640 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 4 37 2 . . . 51.401 . . . . . . 378 ASP CA . . . . . . . . . . . . 51947 4 37 3 . . . 8.215 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 4 38 1 . . . 120.637 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 4 38 2 . . . 53.778 . . . . . . 377 GLU CA . . . . . . . . . . . . 51947 4 38 3 . . . 8.215 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 4 39 1 . . . 120.286 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 4 39 2 . . . 54.381 . . . . . . 383 PHE CA . . . . . . . . . . . . 51947 4 39 3 . . . 8.073 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 4 40 1 . . . 120.265 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 4 40 2 . . . 52.084 . . . . . . 382 LEU CA . . . . . . . . . . . . 51947 4 40 3 . . . 8.075 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 4 41 1 . . . 120.142 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 4 41 2 . . . 59.300 . . . . . . 369 VAL CA . . . . . . . . . . . . 51947 4 41 3 . . . 8.018 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 4 42 1 . . . 120.140 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 4 42 2 . . . 50.367 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 4 42 3 . . . 8.019 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 4 43 1 . . . 119.908 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 4 43 2 . . . 59.979 . . . . . . 386 VAL CA . . . . . . . . . . . . 51947 4 43 3 . . . 7.961 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 4 44 1 . . . 119.896 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 4 44 2 . . . 51.333 . . . . . . 385 ASP CA . . . . . . . . . . . . 51947 4 44 3 . . . 7.962 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 4 45 1 . . . 119.749 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 4 45 2 . . . 52.475 . . . . . . 390 LEU CA . . . . . . . . . . . . 51947 4 45 3 . . . 7.908 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 4 46 1 . . . 119.768 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 4 46 2 . . . 49.852 . . . . . . 389 ALA CA . . . . . . . . . . . . 51947 4 46 3 . . . 7.908 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 4 47 1 . . . 119.312 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 4 47 2 . . . 54.360 . . . . . . 396 PHE CA . . . . . . . . . . . . 51947 4 47 3 . . . 8.003 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 4 48 1 . . . 119.268 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 4 48 2 . . . 60.366 . . . . . . 395 PRO CA . . . . . . . . . . . . 51947 4 48 3 . . . 8.004 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 4 49 1 . . . 118.680 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 4 49 2 . . . 50.259 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 4 49 3 . . . 8.141 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 4 50 1 . . . 116.064 . . . . . . 376 SER N . . . . . . . . . . . . 51947 4 50 2 . . . 55.383 . . . . . . 376 SER CA . . . . . . . . . . . . 51947 4 50 3 . . . 8.153 . . . . . . 376 SER H . . . . . . . . . . . . 51947 4 51 1 . . . 116.062 . . . . . . 376 SER N . . . . . . . . . . . . 51947 4 51 2 . . . 53.626 . . . . . . 375 GLU CA . . . . . . . . . . . . 51947 4 51 3 . . . 8.152 . . . . . . 376 SER H . . . . . . . . . . . . 51947 4 52 1 . . . 116.173 . . . . . . 388 SER N . . . . . . . . . . . . 51947 4 52 2 . . . 55.828 . . . . . . 388 SER CA . . . . . . . . . . . . 51947 4 52 3 . . . 8.118 . . . . . . 388 SER H . . . . . . . . . . . . 51947 4 53 1 . . . 116.164 . . . . . . 388 SER N . . . . . . . . . . . . 51947 4 53 2 . . . 54.191 . . . . . . 387 GLU CA . . . . . . . . . . . . 51947 4 53 3 . . . 8.120 . . . . . . 388 SER H . . . . . . . . . . . . 51947 4 54 1 . . . 122.767 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 4 54 2 . . . 53.776 . . . . . . 399 TRP CA . . . . . . . . . . . . 51947 4 54 3 . . . 7.864 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 4 55 1 . . . 123.472 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 4 55 2 . . . 55.352 . . . . . . 393 SER CA . . . . . . . . . . . . 51947 4 55 3 . . . 8.194 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 4 56 1 . . . 120.562 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 4 56 2 . . . 50.002 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 4 56 3 . . . 8.254 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 4 stop_ loop_ _Peak_row_format.Index_ID _Peak_row_format.ID _Peak_row_format.Peak_ID _Peak_row_format.Volume _Peak_row_format.Volume_uncertainty _Peak_row_format.Height _Peak_row_format.Height_uncertainty _Peak_row_format.Figure_of_merit _Peak_row_format.Restraint _Peak_row_format.Position_1 _Peak_row_format.Position_uncertainty_1 _Peak_row_format.Position_2 _Peak_row_format.Position_uncertainty_2 _Peak_row_format.Position_3 _Peak_row_format.Position_uncertainty_3 _Peak_row_format.Position_4 _Peak_row_format.Position_uncertainty_4 _Peak_row_format.Entity_assembly_ID_1 _Peak_row_format.Entity_ID_1 _Peak_row_format.Comp_index_ID_1 _Peak_row_format.Seq_ID_1 _Peak_row_format.Comp_ID_1 _Peak_row_format.Atom_ID_1 _Peak_row_format.Ambiguity_code_1 _Peak_row_format.Ambiguity_set_ID_1 _Peak_row_format.Entity_assembly_ID_2 _Peak_row_format.Entity_ID_2 _Peak_row_format.Comp_index_ID_2 _Peak_row_format.Seq_ID_2 _Peak_row_format.Comp_ID_2 _Peak_row_format.Atom_ID_2 _Peak_row_format.Ambiguity_code_2 _Peak_row_format.Ambiguity_set_ID_2 _Peak_row_format.Entity_assembly_ID_3 _Peak_row_format.Entity_ID_3 _Peak_row_format.Comp_index_ID_3 _Peak_row_format.Seq_ID_3 _Peak_row_format.Comp_ID_3 _Peak_row_format.Atom_ID_3 _Peak_row_format.Ambiguity_code_3 _Peak_row_format.Ambiguity_set_ID_3 _Peak_row_format.Entity_assembly_ID_4 _Peak_row_format.Entity_ID_4 _Peak_row_format.Comp_index_ID_4 _Peak_row_format.Seq_ID_4 _Peak_row_format.Comp_ID_4 _Peak_row_format.Atom_ID_4 _Peak_row_format.Ambiguity_code_4 _Peak_row_format.Ambiguity_set_ID_4 _Peak_row_format.Entry_ID _Peak_row_format.Spectral_peak_list_ID . 1 . . . -6765852753920.000000 . . . 108.851 . 42.513 . 8.398 . . . . . 372 . GLY N . . . . 372 . GLY CA . . . . 372 . GLY H . . . . . . . . . . 51947 4 . 10 . . . -376795725824.000000 . . . 124.458 . 52.294 . 8.164 . . . . . 374 . LEU N . . . . 374 . LEU CA . . . . 374 . LEU H . . . . . . . . . . 51947 4 . 11 . . . -247863902208.000000 . . . 123.797 . 59.364 . 8.287 . . . . . 370 . ASP N . . . . 369 . VAL CA . . . . 370 . ASP H . . . . . . . . . . 51947 4 . 12 . . . -914752667648.000000 . . . 123.794 . 51.180 . 8.287 . . . . . 370 . ASP N . . . . 370 . ASP CA . . . . 370 . ASP H . . . . . . . . . . 51947 4 . 13 . . . -462098726912.000000 . . . 123.516 . 51.193 . 8.233 . . . . . 371 . LEU N . . . . 370 . ASP CA . . . . 371 . LEU H . . . . . . . . . . 51947 4 . 14 . . . -274883575808.000000 . . . 123.483 . 52.530 . 8.233 . . . . . 371 . LEU N . . . . 371 . LEU CA . . . . 371 . LEU H . . . . . . . . . . 51947 4 . 15 . . . -409878560768.000000 . . . 123.499 . 51.450 . 8.196 . . . . . 394 . GLU N . . . . 394 . GLU CA . . . . 394 . GLU H . . . . . . . . . . 51947 4 . 16 . . . -468899528704.000000 . . . 123.640 . 55.817 . 7.972 . . . . . 380 . ILE N . . . . 380 . ILE CA . . . . 380 . ILE H . . . . . . . . . . 51947 4 . 17 . . . -143015247872.000000 . . . 123.590 . 51.998 . 7.970 . . . . . 380 . ILE N . . . . 379 . LEU CA . . . . 380 . ILE H . . . . . . . . . . 51947 4 . 18 . . . -192939982848.000000 . . . 123.747 . 51.952 . 7.901 . . . . . 397 . LEU N . . . . 397 . LEU CA . . . . 397 . LEU H . . . . . . . . . . 51947 4 . 19 . . . -68928126976.000000 . . . 123.711 . 54.284 . 7.901 . . . . . 397 . LEU N . . . . 396 . PHE CA . . . . 397 . LEU H . . . . . . . . . . 51947 4 . 2 . . . -239385739264.000000 . . . 113.776 . 58.785 . 8.187 . . . . . 367 . THR N . . . . 367 . THR CA . . . . 367 . THR H . . . . . . . . . . 51947 4 . 20 . . . -120924209152.000000 . . . 122.803 . 58.673 . 7.858 . . . . . 399 . TRP N . . . . 398 . THR CA . . . . 399 . TRP H . . . . . . . . . . 51947 4 . 21 . . . -241814405120.000000 . . . 122.928 . 59.945 . 8.324 . . . . . 387 . GLU N . . . . 386 . VAL CA . . . . 387 . GLU H . . . . . . . . . . 51947 4 . 22 . . . -830381000000.000000 . . . 122.944 . 54.206 . 8.325 . . . . . 387 . GLU N . . . . 387 . GLU CA . . . . 387 . GLU H . . . . . . . . . . 51947 4 . 23 . . . -214440443904.000000 . . . 122.885 . 55.377 . 8.426 . . . . . 377 . GLU N . . . . 376 . SER CA . . . . 377 . GLU H . . . . . . . . . . 51947 4 . 24 . . . -1954982920192.000000 . . . 122.883 . 53.761 . 8.410 . . . . . 377 . GLU N . . . . 377 . GLU CA . . . . 377 . GLU H . . . . . . . . . . 51947 4 . 25 . . . -367903703040.000000 . . . 121.847 . 52.008 . 7.950 . . . . . 379 . LEU N . . . . 379 . LEU CA . . . . 379 . LEU H . . . . . . . . . . 51947 4 . 26 . . . -472908234752.000000 . . . 121.861 . 51.400 . 7.949 . . . . . 379 . LEU N . . . . 378 . ASP CA . . . . 379 . LEU H . . . . . . . . . . 51947 4 . 27 . . . -416571981824.000000 . . . 121.886 . 60.028 . 8.077 . . . . . 382 . LEU N . . . . 381 . PRO CA . . . . 382 . LEU H . . . . . . . . . . 51947 4 . 28 . . . -326599573504.000000 . . . 121.878 . 52.042 . 8.076 . . . . . 382 . LEU N . . . . 382 . LEU CA . . . . 382 . LEU H . . . . . . . . . . 51947 4 . 29 . . . -252718661632.000000 . . . 121.481 . 53.300 . 8.086 . . . . . 392 . LYS N . . . . 392 . LYS CA . . . . 392 . LYS H . . . . . . . . . . 51947 4 . 3 . . . -132742864896.000000 . . . 113.744 . 42.263 . 8.185 . . . . . 367 . THR N . . . . 366 . GLY CA . . . . 367 . THR H . . . . . . . . . . 51947 4 . 30 . . . -83085721600.000000 . . . 121.513 . 50.293 . 8.085 . . . . . 392 . LYS N . . . . 391 . ASN CA . . . . 392 . LYS H . . . . . . . . . . 51947 4 . 31 . . . -1187406020608.000000 . . . 121.677 . 53.608 . 8.364 . . . . . 375 . GLU N . . . . 375 . GLU CA . . . . 375 . GLU H . . . . . . . . . . 51947 4 . 32 . . . -90068885504.000000 . . . 121.653 . 52.302 . 8.363 . . . . . 375 . GLU N . . . . 374 . LEU CA . . . . 375 . GLU H . . . . . . . . . . 51947 4 . 33 . . . -119809114112.000000 . . . 121.146 . 58.763 . 8.428 . . . . . 368 . ASN N . . . . 367 . THR CA . . . . 368 . ASN H . . . . . . . . . . 51947 4 . 34 . . . -314574929920.000000 . . . 121.305 . 50.316 . 8.431 . . . . . 368 . ASN N . . . . 368 . ASN CA . . . . 368 . ASN H . . . . . . . . . . 51947 4 . 35 . . . -563054051328.000000 . . . 121.171 . 51.317 . 8.185 . . . . . 385 . ASP N . . . . 385 . ASP CA . . . . 385 . ASP H . . . . . . . . . . 51947 4 . 36 . . . -209265852416.000000 . . . 121.163 . 50.007 . 8.184 . . . . . 385 . ASP N . . . . 384 . ASN CA . . . . 385 . ASP H . . . . . . . . . . 51947 4 . 37 . . . -927459573760.000000 . . . 120.640 . 51.401 . 8.215 . . . . . 378 . ASP N . . . . 378 . ASP CA . . . . 378 . ASP H . . . . . . . . . . 51947 4 . 38 . . . -371192627200.000000 . . . 120.637 . 53.778 . 8.215 . . . . . 378 . ASP N . . . . 377 . GLU CA . . . . 378 . ASP H . . . . . . . . . . 51947 4 . 39 . . . -298659741696.000000 . . . 120.286 . 54.381 . 8.073 . . . . . 383 . PHE N . . . . 383 . PHE CA . . . . 383 . PHE H . . . . . . . . . . 51947 4 . 4 . . . -3866016874496.000000 . . . 113.588 . 58.881 . 7.870 . . . . . 373 . THR N . . . . 373 . THR CA . . . . 373 . THR H . . . . . . . . . . 51947 4 . 40 . . . -256489111552.000000 . . . 120.265 . 52.084 . 8.075 . . . . . 383 . PHE N . . . . 382 . LEU CA . . . . 383 . PHE H . . . . . . . . . . 51947 4 . 41 . . . -519891714048.000000 . . . 120.142 . 59.300 . 8.018 . . . . . 369 . VAL N . . . . 369 . VAL CA . . . . 369 . VAL H . . . . . . . . . . 51947 4 . 42 . . . -280884281344.000000 . . . 120.140 . 50.367 . 8.019 . . . . . 369 . VAL N . . . . 368 . ASN CA . . . . 369 . VAL H . . . . . . . . . . 51947 4 . 43 . . . -617642328064.000000 . . . 119.908 . 59.979 . 7.961 . . . . . 386 . VAL N . . . . 386 . VAL CA . . . . 386 . VAL H . . . . . . . . . . 51947 4 . 44 . . . -381439311872.000000 . . . 119.896 . 51.333 . 7.962 . . . . . 386 . VAL N . . . . 385 . ASP CA . . . . 386 . VAL H . . . . . . . . . . 51947 4 . 45 . . . -265285156864.000000 . . . 119.749 . 52.475 . 7.908 . . . . . 390 . LEU N . . . . 390 . LEU CA . . . . 390 . LEU H . . . . . . . . . . 51947 4 . 46 . . . -290765930496.000000 . . . 119.768 . 49.852 . 7.908 . . . . . 390 . LEU N . . . . 389 . ALA CA . . . . 390 . LEU H . . . . . . . . . . 51947 4 . 47 . . . -152529092608.000000 . . . 119.312 . 54.360 . 8.003 . . . . . 396 . PHE N . . . . 396 . PHE CA . . . . 396 . PHE H . . . . . . . . . . 51947 4 . 48 . . . -228187897856.000000 . . . 119.268 . 60.366 . 8.004 . . . . . 396 . PHE N . . . . 395 . PRO CA . . . . 396 . PHE H . . . . . . . . . . 51947 4 . 49 . . . -2505647849472.000000 . . . 118.680 . 50.259 . 8.141 . . . . . 391 . ASN N . . . . 391 . ASN CA . . . . 391 . ASN H . . . . . . . . . . 51947 4 . 5 . . . -1601292206080.000000 . . . 113.605 . 42.496 . 7.875 . . . . . 373 . THR N . . . . 372 . GLY CA . . . . 373 . THR H . . . . . . . . . . 51947 4 . 50 . . . -5386843193344.000000 . . . 116.064 . 55.383 . 8.153 . . . . . 376 . SER N . . . . 376 . SER CA . . . . 376 . SER H . . . . . . . . . . 51947 4 . 51 . . . -1904161193984.000000 . . . 116.062 . 53.626 . 8.152 . . . . . 376 . SER N . . . . 375 . GLU CA . . . . 376 . SER H . . . . . . . . . . 51947 4 . 52 . . . -3311273508864.000000 . . . 116.173 . 55.828 . 8.118 . . . . . 388 . SER N . . . . 388 . SER CA . . . . 388 . SER H . . . . . . . . . . 51947 4 . 53 . . . -180802797568.000000 . . . 116.164 . 54.191 . 8.120 . . . . . 388 . SER N . . . . 387 . GLU CA . . . . 388 . SER H . . . . . . . . . . 51947 4 . 54 . . . 0.0 . . . 122.767 . 53.776 . 7.864 . . . . . 399 . TRP N . . . . 399 . TRP CA . . . . 399 . TRP H . . . . . . . . . . 51947 4 . 55 . . . -133645877248.000000 . . . 123.472 . 55.352 . 8.194 . . . . . 394 . GLU N . . . . 393 . SER CA . . . . 394 . GLU H . . . . . . . . . . 51947 4 . 56 . . . -496131833856.000000 . . . 120.562 . 50.002 . 8.254 . . . . . 384 . ASN N . . . . 384 . ASN CA . . . . 384 . ASN H . . . . . . . . . . 51947 4 . 6 . . . -2404192354304.000000 . . . 114.039 . 58.713 . 7.738 . . . . . 398 . THR N . . . . 398 . THR CA . . . . 398 . THR H . . . . . . . . . . 51947 4 . 7 . . . -386250735616.000000 . . . 113.987 . 51.943 . 7.737 . . . . . 398 . THR N . . . . 397 . LEU CA . . . . 398 . THR H . . . . . . . . . . 51947 4 . 8 . . . 0.0 . . . 125.379 . 49.878 . 8.125 . . . . . 389 . ALA N . . . . 389 . ALA CA . . . . 389 . ALA H . . . . . . . . . . 51947 4 . 9 . . . -333278707712.000000 . . . 124.457 . 58.856 . 8.165 . . . . . 374 . LEU N . . . . 373 . THR CA . . . . 374 . LEU H . . . . . . . . . . 51947 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 51947 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name 'peak list 5 hnco scrub' _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 5 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 . . N 15 N* . 'not observed' 2725 Hz . . . . . . 51947 5 2 . . C 13 C* . 'not observed' 3000 Hz . . . . . . 51947 5 3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 5 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 3 $software_3 . . 51947 5 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 -147851804672.000000 . height 51947 5 2 -677011914752.000000 . height 51947 5 3 -263800504320.000000 . height 51947 5 4 -924537126912.000000 . height 51947 5 5 -994516795392.000000 . height 51947 5 6 -464166256640.000000 . height 51947 5 7 -725932179456.000000 . height 51947 5 8 -699951611904.000000 . height 51947 5 9 -492831637504.000000 . height 51947 5 10 -420972691456.000000 . height 51947 5 11 -705118994432.000000 . height 51947 5 12 -347681947648.000000 . height 51947 5 13 -757426487296.000000 . height 51947 5 14 -628942897152.000000 . height 51947 5 15 -1031792361472.000000 . height 51947 5 16 -172051677184.000000 . height 51947 5 17 -244442660864.000000 . height 51947 5 18 -374618619904.000000 . height 51947 5 19 -1044572930048.000000 . height 51947 5 20 -168734392320.000000 . height 51947 5 21 -356460724224.000000 . height 51947 5 22 -605325885440.000000 . height 51947 5 23 -903898857472.000000 . height 51947 5 24 -846699560960.000000 . height 51947 5 25 -338211700736.000000 . height 51947 5 26 -577577680896.000000 . height 51947 5 27 -799886409728.000000 . height 51947 5 28 -649525985280.000000 . height 51947 5 29 -357606031360.000000 . height 51947 5 30 -346765066240.000000 . height 51947 5 31 -208483352576.000000 . height 51947 5 32 -128066322432.000000 . height 51947 5 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 114.089 . . . . . . . . . . . . . 51947 5 1 2 173.915 . . . . . . . . . . . . . 51947 5 1 3 7.745 . . . . . . . . . . . . . 51947 5 2 1 121.927 . . . . . . . . . . . . . 51947 5 2 2 173.538 . . . . . . . . . . . . . 51947 5 2 3 8.084 . . . . . . . . . . . . . 51947 5 3 1 121.563 . . . . . . . . . . . . . 51947 5 3 2 172.245 . . . . . . . . . . . . . 51947 5 3 3 8.094 . . . . . . . . . . . . . 51947 5 4 1 121.932 . . . . . . . . . . . . . 51947 5 4 2 172.956 . . . . . . . . . . . . . 51947 5 4 3 7.956 . . . . . . . . . . . . . 51947 5 5 1 123.607 . . . . . . . . . . . . . 51947 5 5 2 173.429 . . . . . . . . . . . . . 51947 5 5 3 8.241 . . . . . . . . . . . . . 51947 5 6 1 123.538 . . . . . . . . . . . . . 51947 5 6 2 171.183 . . . . . . . . . . . . . 51947 5 6 3 8.203 . . . . . . . . . . . . . 51947 5 7 1 123.881 . . . . . . . . . . . . . 51947 5 7 2 172.721 . . . . . . . . . . . . . 51947 5 7 3 8.294 . . . . . . . . . . . . . 51947 5 8 1 122.984 . . . . . . . . . . . . . 51947 5 8 2 173.862 . . . . . . . . . . . . . 51947 5 8 3 8.333 . . . . . . . . . . . . . 51947 5 9 1 122.890 . . . . . . . . . . . . . 51947 5 9 2 170.847 . . . . . . . . . . . . . 51947 5 9 3 7.866 . . . . . . . . . . . . . 51947 5 10 1 123.663 . . . . . . . . . . . . . 51947 5 10 2 174.122 . . . . . . . . . . . . . 51947 5 10 3 7.979 . . . . . . . . . . . . . 51947 5 11 1 124.566 . . . . . . . . . . . . . 51947 5 11 2 171.705 . . . . . . . . . . . . . 51947 5 11 3 8.171 . . . . . . . . . . . . . 51947 5 12 1 125.455 . . . . . . . . . . . . . 51947 5 12 2 171.874 . . . . . . . . . . . . . 51947 5 12 3 8.134 . . . . . . . . . . . . . 51947 5 13 1 128.880 . . . . . . . . . . . . . 51947 5 13 2 171.964 . . . . . . . . . . . . . 51947 5 13 3 7.558 . . . . . . . . . . . . . 51947 5 14 1 121.230 . . . . . . . . . . . . . 51947 5 14 2 171.580 . . . . . . . . . . . . . 51947 5 14 3 8.191 . . . . . . . . . . . . . 51947 5 15 1 120.738 . . . . . . . . . . . . . 51947 5 15 2 173.261 . . . . . . . . . . . . . 51947 5 15 3 8.221 . . . . . . . . . . . . . 51947 5 16 1 120.567 . . . . . . . . . . . . . 51947 5 16 2 172.328 . . . . . . . . . . . . . 51947 5 16 3 8.262 . . . . . . . . . . . . . 51947 5 17 1 121.325 . . . . . . . . . . . . . 51947 5 17 2 171.477 . . . . . . . . . . . . . 51947 5 17 3 8.439 . . . . . . . . . . . . . 51947 5 18 1 121.735 . . . . . . . . . . . . . 51947 5 18 2 174.537 . . . . . . . . . . . . . 51947 5 18 3 8.370 . . . . . . . . . . . . . 51947 5 19 1 122.915 . . . . . . . . . . . . . 51947 5 19 2 171.848 . . . . . . . . . . . . . 51947 5 19 3 8.433 . . . . . . . . . . . . . 51947 5 20 1 118.663 . . . . . . . . . . . . . 51947 5 20 2 174.437 . . . . . . . . . . . . . 51947 5 20 3 8.141 . . . . . . . . . . . . . 51947 5 21 1 119.348 . . . . . . . . . . . . . 51947 5 21 2 173.579 . . . . . . . . . . . . . 51947 5 21 3 8.012 . . . . . . . . . . . . . 51947 5 22 1 119.826 . . . . . . . . . . . . . 51947 5 22 2 175.096 . . . . . . . . . . . . . 51947 5 22 3 7.913 . . . . . . . . . . . . . 51947 5 23 1 119.956 . . . . . . . . . . . . . 51947 5 23 2 173.526 . . . . . . . . . . . . . 51947 5 23 3 7.971 . . . . . . . . . . . . . 51947 5 24 1 120.188 . . . . . . . . . . . . . 51947 5 24 2 172.228 . . . . . . . . . . . . . 51947 5 24 3 8.026 . . . . . . . . . . . . . 51947 5 25 1 120.381 . . . . . . . . . . . . . 51947 5 25 2 174.250 . . . . . . . . . . . . . 51947 5 25 3 8.081 . . . . . . . . . . . . . 51947 5 26 1 116.254 . . . . . . . . . . . . . 51947 5 26 2 174.190 . . . . . . . . . . . . . 51947 5 26 3 8.129 . . . . . . . . . . . . . 51947 5 27 1 116.148 . . . . . . . . . . . . . 51947 5 27 2 173.576 . . . . . . . . . . . . . 51947 5 27 3 8.161 . . . . . . . . . . . . . 51947 5 28 1 113.615 . . . . . . . . . . . . . 51947 5 28 2 171.596 . . . . . . . . . . . . . 51947 5 28 3 7.878 . . . . . . . . . . . . . 51947 5 29 1 108.913 . . . . . . . . . . . . . 51947 5 29 2 175.275 . . . . . . . . . . . . . 51947 5 29 3 8.405 . . . . . . . . . . . . . 51947 5 30 1 113.827 . . . . . . . . . . . . . 51947 5 30 2 171.200 . . . . . . . . . . . . . 51947 5 30 3 8.194 . . . . . . . . . . . . . 51947 5 31 1 116.739 . . . . . . . . . . . . . 51947 5 31 2 173.538 . . . . . . . . . . . . . 51947 5 31 3 8.214 . . . . . . . . . . . . . 51947 5 32 1 123.801 . . . . . . . . . . . . . 51947 5 32 2 172.550 . . . . . . . . . . . . . 51947 5 32 3 7.908 . . . . . . . . . . . . . 51947 5 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 114.089 . . . . . . 398 THR N . . . . . . . . . . . . 51947 5 1 2 . . . 173.915 . . . . . . 397 LEU C . . . . . . . . . . . . 51947 5 1 3 . . . 7.745 . . . . . . 398 THR H . . . . . . . . . . . . 51947 5 2 1 . . . 121.927 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 5 2 2 . . . 173.538 . . . . . . 381 PRO C . . . . . . . . . . . . 51947 5 2 3 . . . 8.084 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 5 3 1 . . . 121.563 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 5 3 2 . . . 172.245 . . . . . . 391 ASN C . . . . . . . . . . . . 51947 5 3 3 . . . 8.094 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 5 4 1 . . . 121.932 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 5 4 2 . . . 172.956 . . . . . . 378 ASP C . . . . . . . . . . . . 51947 5 4 3 . . . 7.956 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 5 5 1 . . . 123.607 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 5 5 2 . . . 173.429 . . . . . . 370 ASP C . . . . . . . . . . . . 51947 5 5 3 . . . 8.241 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 5 6 1 . . . 123.538 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 5 6 2 . . . 171.183 . . . . . . 393 SER C . . . . . . . . . . . . 51947 5 6 3 . . . 8.203 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 5 7 1 . . . 123.881 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 5 7 2 . . . 172.721 . . . . . . 369 VAL C . . . . . . . . . . . . 51947 5 7 3 . . . 8.294 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 5 8 1 . . . 122.984 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 5 8 2 . . . 173.862 . . . . . . 386 VAL C . . . . . . . . . . . . 51947 5 8 3 . . . 8.333 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 5 9 1 . . . 122.890 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 5 9 2 . . . 170.847 . . . . . . 398 THR C . . . . . . . . . . . . 51947 5 9 3 . . . 7.866 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 5 10 1 . . . 123.663 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 5 10 2 . . . 174.122 . . . . . . 379 LEU C . . . . . . . . . . . . 51947 5 10 3 . . . 7.979 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 5 11 1 . . . 124.566 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 5 11 2 . . . 171.705 . . . . . . 373 THR C . . . . . . . . . . . . 51947 5 11 3 . . . 8.171 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 5 12 1 . . . 125.455 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 5 12 2 . . . 171.874 . . . . . . 388 SER C . . . . . . . . . . . . 51947 5 12 3 . . . 8.134 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 5 13 1 . . . 128.880 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 5 13 2 . . . 171.964 . . . . . . 399 TRP C . . . . . . . . . . . . 51947 5 13 3 . . . 7.558 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 5 14 1 . . . 121.230 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 5 14 2 . . . 171.580 . . . . . . 384 ASN C . . . . . . . . . . . . 51947 5 14 3 . . . 8.191 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 5 15 1 . . . 120.738 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 5 15 2 . . . 173.261 . . . . . . 377 GLU C . . . . . . . . . . . . 51947 5 15 3 . . . 8.221 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 5 16 1 . . . 120.567 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 5 16 2 . . . 172.328 . . . . . . 383 PHE C . . . . . . . . . . . . 51947 5 16 3 . . . 8.262 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 5 17 1 . . . 121.325 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 5 17 2 . . . 171.477 . . . . . . 367 THR C . . . . . . . . . . . . 51947 5 17 3 . . . 8.439 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 5 18 1 . . . 121.735 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 5 18 2 . . . 174.537 . . . . . . 374 LEU C . . . . . . . . . . . . 51947 5 18 3 . . . 8.370 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 5 19 1 . . . 122.915 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 5 19 2 . . . 171.848 . . . . . . 376 SER C . . . . . . . . . . . . 51947 5 19 3 . . . 8.433 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 5 20 1 . . . 118.663 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 5 20 2 . . . 174.437 . . . . . . 390 LEU C . . . . . . . . . . . . 51947 5 20 3 . . . 8.141 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 5 21 1 . . . 119.348 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 5 21 2 . . . 173.579 . . . . . . 395 PRO C . . . . . . . . . . . . 51947 5 21 3 . . . 8.012 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 5 22 1 . . . 119.826 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 5 22 2 . . . 175.096 . . . . . . 389 ALA C . . . . . . . . . . . . 51947 5 22 3 . . . 7.913 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 5 23 1 . . . 119.956 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 5 23 2 . . . 173.526 . . . . . . 385 ASP C . . . . . . . . . . . . 51947 5 23 3 . . . 7.971 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 5 24 1 . . . 120.188 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 5 24 2 . . . 172.228 . . . . . . 368 ASN C . . . . . . . . . . . . 51947 5 24 3 . . . 8.026 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 5 25 1 . . . 120.381 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 5 25 2 . . . 174.250 . . . . . . 382 LEU C . . . . . . . . . . . . 51947 5 25 3 . . . 8.081 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 5 26 1 . . . 116.254 . . . . . . 388 SER N . . . . . . . . . . . . 51947 5 26 2 . . . 174.190 . . . . . . 387 GLU C . . . . . . . . . . . . 51947 5 26 3 . . . 8.129 . . . . . . 388 SER H . . . . . . . . . . . . 51947 5 27 1 . . . 116.148 . . . . . . 376 SER N . . . . . . . . . . . . 51947 5 27 2 . . . 173.576 . . . . . . 375 GLU C . . . . . . . . . . . . 51947 5 27 3 . . . 8.161 . . . . . . 376 SER H . . . . . . . . . . . . 51947 5 28 1 . . . 113.615 . . . . . . 373 THR N . . . . . . . . . . . . 51947 5 28 2 . . . 171.596 . . . . . . 372 GLY C . . . . . . . . . . . . 51947 5 28 3 . . . 7.878 . . . . . . 373 THR H . . . . . . . . . . . . 51947 5 29 1 . . . 108.913 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 5 29 2 . . . 175.275 . . . . . . 371 LEU C . . . . . . . . . . . . 51947 5 29 3 . . . 8.405 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 5 30 1 . . . 113.827 . . . . . . 367 THR N . . . . . . . . . . . . 51947 5 30 2 . . . 171.200 . . . . . . 366 GLY C . . . . . . . . . . . . 51947 5 30 3 . . . 8.194 . . . . . . 367 THR H . . . . . . . . . . . . 51947 5 31 1 . . . 116.739 . . . . . . 393 SER N . . . . . . . . . . . . 51947 5 31 2 . . . 173.538 . . . . . . 392 LYS C . . . . . . . . . . . . 51947 5 31 3 . . . 8.214 . . . . . . 393 SER H . . . . . . . . . . . . 51947 5 32 1 . . . 123.801 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 5 32 2 . . . 172.550 . . . . . . 396 PHE C . . . . . . . . . . . . 51947 5 32 3 . . . 7.908 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 5 stop_ loop_ _Peak_row_format.Index_ID _Peak_row_format.ID _Peak_row_format.Peak_ID _Peak_row_format.Volume _Peak_row_format.Volume_uncertainty _Peak_row_format.Height _Peak_row_format.Height_uncertainty _Peak_row_format.Figure_of_merit _Peak_row_format.Restraint _Peak_row_format.Position_1 _Peak_row_format.Position_uncertainty_1 _Peak_row_format.Position_2 _Peak_row_format.Position_uncertainty_2 _Peak_row_format.Position_3 _Peak_row_format.Position_uncertainty_3 _Peak_row_format.Position_4 _Peak_row_format.Position_uncertainty_4 _Peak_row_format.Entity_assembly_ID_1 _Peak_row_format.Entity_ID_1 _Peak_row_format.Comp_index_ID_1 _Peak_row_format.Seq_ID_1 _Peak_row_format.Comp_ID_1 _Peak_row_format.Atom_ID_1 _Peak_row_format.Ambiguity_code_1 _Peak_row_format.Ambiguity_set_ID_1 _Peak_row_format.Entity_assembly_ID_2 _Peak_row_format.Entity_ID_2 _Peak_row_format.Comp_index_ID_2 _Peak_row_format.Seq_ID_2 _Peak_row_format.Comp_ID_2 _Peak_row_format.Atom_ID_2 _Peak_row_format.Ambiguity_code_2 _Peak_row_format.Ambiguity_set_ID_2 _Peak_row_format.Entity_assembly_ID_3 _Peak_row_format.Entity_ID_3 _Peak_row_format.Comp_index_ID_3 _Peak_row_format.Seq_ID_3 _Peak_row_format.Comp_ID_3 _Peak_row_format.Atom_ID_3 _Peak_row_format.Ambiguity_code_3 _Peak_row_format.Ambiguity_set_ID_3 _Peak_row_format.Entity_assembly_ID_4 _Peak_row_format.Entity_ID_4 _Peak_row_format.Comp_index_ID_4 _Peak_row_format.Seq_ID_4 _Peak_row_format.Comp_ID_4 _Peak_row_format.Atom_ID_4 _Peak_row_format.Ambiguity_code_4 _Peak_row_format.Ambiguity_set_ID_4 _Peak_row_format.Entry_ID _Peak_row_format.Spectral_peak_list_ID . 1 . . . -147851804672.000000 . . . 114.089 . 173.915 . 7.745 . . . . . 398 . THR N . . . . 397 . LEU C . . . . 398 . THR H . . . . . . . . . . 51947 5 . 10 . . . -420972691456.000000 . . . 123.663 . 174.122 . 7.979 . . . . . 380 . ILE N . . . . 379 . LEU C . . . . 380 . ILE H . . . . . . . . . . 51947 5 . 11 . . . -705118994432.000000 . . . 124.566 . 171.705 . 8.171 . . . . . 374 . LEU N . . . . 373 . THR C . . . . 374 . LEU H . . . . . . . . . . 51947 5 . 12 . . . -347681947648.000000 . . . 125.455 . 171.874 . 8.134 . . . . . 389 . ALA N . . . . 388 . SER C . . . . 389 . ALA H . . . . . . . . . . 51947 5 . 13 . . . -757426487296.000000 . . . 128.880 . 171.964 . 7.558 . . . . . 400 . LEU N . . . . 399 . TRP C . . . . 400 . LEU H . . . . . . . . . . 51947 5 . 14 . . . -628942897152.000000 . . . 121.230 . 171.580 . 8.191 . . . . . 385 . ASP N . . . . 384 . ASN C . . . . 385 . ASP H . . . . . . . . . . 51947 5 . 15 . . . -1031792361472.000000 . . . 120.738 . 173.261 . 8.221 . . . . . 378 . ASP N . . . . 377 . GLU C . . . . 378 . ASP H . . . . . . . . . . 51947 5 . 16 . . . -172051677184.000000 . . . 120.567 . 172.328 . 8.262 . . . . . 384 . ASN N . . . . 383 . PHE C . . . . 384 . ASN H . . . . . . . . . . 51947 5 . 17 . . . -244442660864.000000 . . . 121.325 . 171.477 . 8.439 . . . . . 368 . ASN N . . . . 367 . THR C . . . . 368 . ASN H . . . . . . . . . . 51947 5 . 18 . . . -374618619904.000000 . . . 121.735 . 174.537 . 8.370 . . . . . 375 . GLU N . . . . 374 . LEU C . . . . 375 . GLU H . . . . . . . . . . 51947 5 . 19 . . . -1044572930048.000000 . . . 122.915 . 171.848 . 8.433 . . . . . 377 . GLU N . . . . 376 . SER C . . . . 377 . GLU H . . . . . . . . . . 51947 5 . 2 . . . -677011914752.000000 . . . 121.927 . 173.538 . 8.084 . . . . . 382 . LEU N . . . . 381 . PRO C . . . . 382 . LEU H . . . . . . . . . . 51947 5 . 20 . . . -168734392320.000000 . . . 118.663 . 174.437 . 8.141 . . . . . 391 . ASN N . . . . 390 . LEU C . . . . 391 . ASN H . . . . . . . . . . 51947 5 . 21 . . . -356460724224.000000 . . . 119.348 . 173.579 . 8.012 . . . . . 396 . PHE N . . . . 395 . PRO C . . . . 396 . PHE H . . . . . . . . . . 51947 5 . 22 . . . -605325885440.000000 . . . 119.826 . 175.096 . 7.913 . . . . . 390 . LEU N . . . . 389 . ALA C . . . . 390 . LEU H . . . . . . . . . . 51947 5 . 23 . . . -903898857472.000000 . . . 119.956 . 173.526 . 7.971 . . . . . 386 . VAL N . . . . 385 . ASP C . . . . 386 . VAL H . . . . . . . . . . 51947 5 . 24 . . . -846699560960.000000 . . . 120.188 . 172.228 . 8.026 . . . . . 369 . VAL N . . . . 368 . ASN C . . . . 369 . VAL H . . . . . . . . . . 51947 5 . 25 . . . -338211700736.000000 . . . 120.381 . 174.250 . 8.081 . . . . . 383 . PHE N . . . . 382 . LEU C . . . . 383 . PHE H . . . . . . . . . . 51947 5 . 26 . . . -577577680896.000000 . . . 116.254 . 174.190 . 8.129 . . . . . 388 . SER N . . . . 387 . GLU C . . . . 388 . SER H . . . . . . . . . . 51947 5 . 27 . . . -799886409728.000000 . . . 116.148 . 173.576 . 8.161 . . . . . 376 . SER N . . . . 375 . GLU C . . . . 376 . SER H . . . . . . . . . . 51947 5 . 28 . . . -649525985280.000000 . . . 113.615 . 171.596 . 7.878 . . . . . 373 . THR N . . . . 372 . GLY C . . . . 373 . THR H . . . . . . . . . . 51947 5 . 29 . . . -357606031360.000000 . . . 108.913 . 175.275 . 8.405 . . . . . 372 . GLY N . . . . 371 . LEU C . . . . 372 . GLY H . . . . . . . . . . 51947 5 . 3 . . . -263800504320.000000 . . . 121.563 . 172.245 . 8.094 . . . . . 392 . LYS N . . . . 391 . ASN C . . . . 392 . LYS H . . . . . . . . . . 51947 5 . 30 . . . -346765066240.000000 . . . 113.827 . 171.200 . 8.194 . . . . . 367 . THR N . . . . 366 . GLY C . . . . 367 . THR H . . . . . . . . . . 51947 5 . 31 . . . -208483352576.000000 . . . 116.739 . 173.538 . 8.214 . . . . . 393 . SER N . . . . 392 . LYS C . . . . 393 . SER H . . . . . . . . . . 51947 5 . 32 . . . -128066322432.000000 . . . 123.801 . 172.550 . 7.908 . . . . . 397 . LEU N . . . . 396 . PHE C . . . . 397 . LEU H . . . . . . . . . . 51947 5 . 4 . . . -924537126912.000000 . . . 121.932 . 172.956 . 7.956 . . . . . 379 . LEU N . . . . 378 . ASP C . . . . 379 . LEU H . . . . . . . . . . 51947 5 . 5 . . . -994516795392.000000 . . . 123.607 . 173.429 . 8.241 . . . . . 371 . LEU N . . . . 370 . ASP C . . . . 371 . LEU H . . . . . . . . . . 51947 5 . 6 . . . -464166256640.000000 . . . 123.538 . 171.183 . 8.203 . . . . . 394 . GLU N . . . . 393 . SER C . . . . 394 . GLU H . . . . . . . . . . 51947 5 . 7 . . . -725932179456.000000 . . . 123.881 . 172.721 . 8.294 . . . . . 370 . ASP N . . . . 369 . VAL C . . . . 370 . ASP H . . . . . . . . . . 51947 5 . 8 . . . -699951611904.000000 . . . 122.984 . 173.862 . 8.333 . . . . . 387 . GLU N . . . . 386 . VAL C . . . . 387 . GLU H . . . . . . . . . . 51947 5 . 9 . . . -492831637504.000000 . . . 122.890 . 170.847 . 7.866 . . . . . 399 . TRP N . . . . 398 . THR C . . . . 399 . TRP H . . . . . . . . . . 51947 5 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 51947 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name 'peak list 6 hbhaconh scrub' _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 6 _Spectral_peak_list.Experiment_name '3D HBHA(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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* . 'not observed' 3000 Hz . . . . . . 51947 6 2 . . N 15 N* . 'not observed' 2682 Hz . . . . . . 51947 6 3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 6 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 3 $software_3 . . 51947 6 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 -320080773120.000000 . height 51947 6 2 -179923910656.000000 . height 51947 6 3 -325289181184.000000 . height 51947 6 4 -347536490496.000000 . height 51947 6 5 -1233185800192.000000 . height 51947 6 6 -369448747008.000000 . height 51947 6 7 -424414216192.000000 . height 51947 6 8 -520163164160.000000 . height 51947 6 9 -607405998080.000000 . height 51947 6 10 -270904950784.000000 . height 51947 6 11 -569595527168.000000 . height 51947 6 12 -542910709760.000000 . height 51947 6 13 -540039315456.000000 . height 51947 6 14 -604203057152.000000 . height 51947 6 15 -1472830898176.000000 . height 51947 6 16 -345213239296.000000 . height 51947 6 17 -473793822720.000000 . height 51947 6 18 -345831374848.000000 . height 51947 6 19 -146749554688.000000 . height 51947 6 20 -685594312704.000000 . height 51947 6 21 -273360142336.000000 . height 51947 6 22 -336173662208.000000 . height 51947 6 23 -593876221952.000000 . height 51947 6 24 -479658180608.000000 . height 51947 6 25 -822374694912.000000 . height 51947 6 26 -322947186688.000000 . height 51947 6 27 -265239052288.000000 . height 51947 6 28 -426626908160.000000 . height 51947 6 29 -411489533952.000000 . height 51947 6 30 -447420956672.000000 . height 51947 6 31 -268527304704.000000 . height 51947 6 32 -74038607872.000000 . height 51947 6 33 -518619660288.000000 . height 51947 6 34 -143180234752.000000 . height 51947 6 35 -166279544832.000000 . height 51947 6 36 -328857452544.000000 . height 51947 6 37 -94391304192.000000 . height 51947 6 38 -127574335488.000000 . height 51947 6 39 -209749704704.000000 . height 51947 6 40 -126820253696.000000 . height 51947 6 41 -116130881536.000000 . height 51947 6 42 -475474296832.000000 . height 51947 6 43 -119286636544.000000 . height 51947 6 44 -231716962304.000000 . height 51947 6 45 -534835429376.000000 . height 51947 6 46 -470157426688.000000 . height 51947 6 47 -461761544192.000000 . height 51947 6 48 -509867196416.000000 . height 51947 6 49 -533926510592.000000 . height 51947 6 50 -204692258816.000000 . height 51947 6 51 -577111195648.000000 . height 51947 6 52 -217923780608.000000 . height 51947 6 53 -3211420499968.000000 . height 51947 6 54 -3734795976704.000000 . height 51947 6 55 -192791822336.000000 . height 51947 6 56 -223925600256.000000 . height 51947 6 57 -217097060352.000000 . height 51947 6 58 -184725766144.000000 . height 51947 6 59 -233687908352.000000 . height 51947 6 60 -327639367680.000000 . height 51947 6 61 -98929623040.000000 . height 51947 6 62 -122696663040.000000 . height 51947 6 63 -142759985152.000000 . height 51947 6 64 -46619467776.000000 . height 51947 6 65 -42938068992.000000 . height 51947 6 66 -273202249728.000000 . height 51947 6 67 -309175255040.000000 . height 51947 6 68 -2591464095744.000000 . height 51947 6 69 -245767749632.000000 . height 51947 6 70 -254971985920.000000 . height 51947 6 71 -565931868160.000000 . height 51947 6 72 -527422816256.000000 . height 51947 6 73 -106086834176.000000 . height 51947 6 74 -112396115968.000000 . height 51947 6 75 -142361952256.000000 . height 51947 6 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 4.201 . . . . . . . . . . . . . 51947 6 1 2 108.875 . . . . . . . . . . . . . 51947 6 1 3 8.400 . . . . . . . . . . . . . 51947 6 2 1 1.564 . . . . . . . . . . . . . 51947 6 2 2 108.870 . . . . . . . . . . . . . 51947 6 2 3 8.400 . . . . . . . . . . . . . 51947 6 3 1 4.269 . . . . . . . . . . . . . 51947 6 3 2 125.411 . . . . . . . . . . . . . 51947 6 3 3 8.128 . . . . . . . . . . . . . 51947 6 4 1 3.781 . . . . . . . . . . . . . 51947 6 4 2 125.439 . . . . . . . . . . . . . 51947 6 4 3 8.129 . . . . . . . . . . . . . 51947 6 5 1 3.988 . . . . . . . . . . . . . 51947 6 5 2 113.820 . . . . . . . . . . . . . 51947 6 5 3 8.186 . . . . . . . . . . . . . 51947 6 6 1 4.279 . . . . . . . . . . . . . 51947 6 6 2 121.386 . . . . . . . . . . . . . 51947 6 6 3 8.433 . . . . . . . . . . . . . 51947 6 7 1 4.136 . . . . . . . . . . . . . 51947 6 7 2 121.388 . . . . . . . . . . . . . 51947 6 7 3 8.434 . . . . . . . . . . . . . 51947 6 8 1 4.644 . . . . . . . . . . . . . 51947 6 8 2 120.182 . . . . . . . . . . . . . 51947 6 8 3 8.021 . . . . . . . . . . . . . 51947 6 9 1 4.000 . . . . . . . . . . . . . 51947 6 9 2 123.843 . . . . . . . . . . . . . 51947 6 9 3 8.289 . . . . . . . . . . . . . 51947 6 10 1 1.973 . . . . . . . . . . . . . 51947 6 10 2 123.835 . . . . . . . . . . . . . 51947 6 10 3 8.289 . . . . . . . . . . . . . 51947 6 11 1 2.645 . . . . . . . . . . . . . 51947 6 11 2 123.567 . . . . . . . . . . . . . 51947 6 11 3 8.236 . . . . . . . . . . . . . 51947 6 12 1 2.500 . . . . . . . . . . . . . 51947 6 12 2 123.550 . . . . . . . . . . . . . 51947 6 12 3 8.236 . . . . . . . . . . . . . 51947 6 13 1 3.754 . . . . . . . . . . . . . 51947 6 13 2 123.516 . . . . . . . . . . . . . 51947 6 13 3 8.201 . . . . . . . . . . . . . 51947 6 14 1 4.527 . . . . . . . . . . . . . 51947 6 14 2 123.573 . . . . . . . . . . . . . 51947 6 14 3 8.236 . . . . . . . . . . . . . 51947 6 15 1 3.875 . . . . . . . . . . . . . 51947 6 15 2 113.614 . . . . . . . . . . . . . 51947 6 15 3 7.873 . . . . . . . . . . . . . 51947 6 16 1 4.234 . . . . . . . . . . . . . 51947 6 16 2 124.502 . . . . . . . . . . . . . 51947 6 16 3 8.167 . . . . . . . . . . . . . 51947 6 17 1 4.130 . . . . . . . . . . . . . 51947 6 17 2 124.485 . . . . . . . . . . . . . 51947 6 17 3 8.168 . . . . . . . . . . . . . 51947 6 18 1 4.278 . . . . . . . . . . . . . 51947 6 18 2 121.711 . . . . . . . . . . . . . 51947 6 18 3 8.365 . . . . . . . . . . . . . 51947 6 19 1 1.532 . . . . . . . . . . . . . 51947 6 19 2 121.713 . . . . . . . . . . . . . 51947 6 19 3 8.365 . . . . . . . . . . . . . 51947 6 20 1 4.209 . . . . . . . . . . . . . 51947 6 20 2 116.145 . . . . . . . . . . . . . 51947 6 20 3 8.156 . . . . . . . . . . . . . 51947 6 21 1 1.968 . . . . . . . . . . . . . 51947 6 21 2 116.153 . . . . . . . . . . . . . 51947 6 21 3 8.154 . . . . . . . . . . . . . 51947 6 22 1 1.844 . . . . . . . . . . . . . 51947 6 22 2 116.179 . . . . . . . . . . . . . 51947 6 22 3 8.156 . . . . . . . . . . . . . 51947 6 23 1 3.749 . . . . . . . . . . . . . 51947 6 23 2 122.873 . . . . . . . . . . . . . 51947 6 23 3 8.428 . . . . . . . . . . . . . 51947 6 24 1 4.330 . . . . . . . . . . . . . 51947 6 24 2 122.858 . . . . . . . . . . . . . 51947 6 24 3 8.428 . . . . . . . . . . . . . 51947 6 25 1 4.189 . . . . . . . . . . . . . 51947 6 25 2 120.688 . . . . . . . . . . . . . 51947 6 25 3 8.217 . . . . . . . . . . . . . 51947 6 26 1 1.839 . . . . . . . . . . . . . 51947 6 26 2 120.710 . . . . . . . . . . . . . 51947 6 26 3 8.217 . . . . . . . . . . . . . 51947 6 27 1 1.973 . . . . . . . . . . . . . 51947 6 27 2 120.709 . . . . . . . . . . . . . 51947 6 27 3 8.215 . . . . . . . . . . . . . 51947 6 28 1 2.574 . . . . . . . . . . . . . 51947 6 28 2 121.921 . . . . . . . . . . . . . 51947 6 28 3 7.950 . . . . . . . . . . . . . 51947 6 29 1 2.456 . . . . . . . . . . . . . 51947 6 29 2 121.920 . . . . . . . . . . . . . 51947 6 29 3 7.950 . . . . . . . . . . . . . 51947 6 30 1 4.471 . . . . . . . . . . . . . 51947 6 30 2 121.930 . . . . . . . . . . . . . 51947 6 30 3 7.951 . . . . . . . . . . . . . 51947 6 31 1 4.223 . . . . . . . . . . . . . 51947 6 31 2 123.651 . . . . . . . . . . . . . 51947 6 31 3 7.972 . . . . . . . . . . . . . 51947 6 32 1 1.456 . . . . . . . . . . . . . 51947 6 32 2 123.634 . . . . . . . . . . . . . 51947 6 32 3 7.976 . . . . . . . . . . . . . 51947 6 33 1 4.250 . . . . . . . . . . . . . 51947 6 33 2 121.928 . . . . . . . . . . . . . 51947 6 33 3 8.079 . . . . . . . . . . . . . 51947 6 34 1 2.092 . . . . . . . . . . . . . 51947 6 34 2 121.982 . . . . . . . . . . . . . 51947 6 34 3 8.078 . . . . . . . . . . . . . 51947 6 35 1 1.659 . . . . . . . . . . . . . 51947 6 35 2 121.921 . . . . . . . . . . . . . 51947 6 35 3 8.078 . . . . . . . . . . . . . 51947 6 36 1 4.155 . . . . . . . . . . . . . 51947 6 36 2 120.310 . . . . . . . . . . . . . 51947 6 36 3 8.077 . . . . . . . . . . . . . 51947 6 37 1 1.440 . . . . . . . . . . . . . 51947 6 37 2 120.318 . . . . . . . . . . . . . 51947 6 37 3 8.076 . . . . . . . . . . . . . 51947 6 38 1 1.324 . . . . . . . . . . . . . 51947 6 38 2 120.271 . . . . . . . . . . . . . 51947 6 38 3 8.077 . . . . . . . . . . . . . 51947 6 39 1 4.529 . . . . . . . . . . . . . 51947 6 39 2 120.587 . . . . . . . . . . . . . 51947 6 39 3 8.256 . . . . . . . . . . . . . 51947 6 40 1 3.035 . . . . . . . . . . . . . 51947 6 40 2 120.602 . . . . . . . . . . . . . 51947 6 40 3 8.257 . . . . . . . . . . . . . 51947 6 41 1 2.915 . . . . . . . . . . . . . 51947 6 41 2 120.588 . . . . . . . . . . . . . 51947 6 41 3 8.254 . . . . . . . . . . . . . 51947 6 42 1 4.568 . . . . . . . . . . . . . 51947 6 42 2 121.215 . . . . . . . . . . . . . 51947 6 42 3 8.187 . . . . . . . . . . . . . 51947 6 43 1 2.961 . . . . . . . . . . . . . 51947 6 43 2 123.771 . . . . . . . . . . . . . 51947 6 43 3 7.903 . . . . . . . . . . . . . 51947 6 44 1 4.357 . . . . . . . . . . . . . 51947 6 44 2 123.496 . . . . . . . . . . . . . 51947 6 44 3 8.200 . . . . . . . . . . . . . 51947 6 45 1 2.622 . . . . . . . . . . . . . 51947 6 45 2 121.197 . . . . . . . . . . . . . 51947 6 45 3 8.185 . . . . . . . . . . . . . 51947 6 46 1 2.533 . . . . . . . . . . . . . 51947 6 46 2 119.933 . . . . . . . . . . . . . 51947 6 46 3 7.965 . . . . . . . . . . . . . 51947 6 47 1 2.612 . . . . . . . . . . . . . 51947 6 47 2 119.942 . . . . . . . . . . . . . 51947 6 47 3 7.966 . . . . . . . . . . . . . 51947 6 48 1 4.474 . . . . . . . . . . . . . 51947 6 48 2 119.933 . . . . . . . . . . . . . 51947 6 48 3 7.965 . . . . . . . . . . . . . 51947 6 49 1 3.953 . . . . . . . . . . . . . 51947 6 49 2 122.986 . . . . . . . . . . . . . 51947 6 49 3 8.328 . . . . . . . . . . . . . 51947 6 50 1 2.026 . . . . . . . . . . . . . 51947 6 50 2 122.979 . . . . . . . . . . . . . 51947 6 50 3 8.328 . . . . . . . . . . . . . 51947 6 51 1 4.133 . . . . . . . . . . . . . 51947 6 51 2 116.218 . . . . . . . . . . . . . 51947 6 51 3 8.124 . . . . . . . . . . . . . 51947 6 52 1 1.932 . . . . . . . . . . . . . 51947 6 52 2 116.231 . . . . . . . . . . . . . 51947 6 52 3 8.123 . . . . . . . . . . . . . 51947 6 53 1 4.197 . . . . . . . . . . . . . 51947 6 53 2 119.776 . . . . . . . . . . . . . 51947 6 53 3 7.911 . . . . . . . . . . . . . 51947 6 54 1 1.302 . . . . . . . . . . . . . 51947 6 54 2 119.795 . . . . . . . . . . . . . 51947 6 54 3 7.912 . . . . . . . . . . . . . 51947 6 55 1 4.159 . . . . . . . . . . . . . 51947 6 55 2 118.575 . . . . . . . . . . . . . 51947 6 55 3 8.134 . . . . . . . . . . . . . 51947 6 56 1 2.737 . . . . . . . . . . . . . 51947 6 56 2 121.528 . . . . . . . . . . . . . 51947 6 56 3 8.087 . . . . . . . . . . . . . 51947 6 57 1 2.645 . . . . . . . . . . . . . 51947 6 57 2 121.547 . . . . . . . . . . . . . 51947 6 57 3 8.088 . . . . . . . . . . . . . 51947 6 58 1 4.570 . . . . . . . . . . . . . 51947 6 58 2 121.540 . . . . . . . . . . . . . 51947 6 58 3 8.089 . . . . . . . . . . . . . 51947 6 59 1 4.239 . . . . . . . . . . . . . 51947 6 59 2 116.703 . . . . . . . . . . . . . 51947 6 59 3 8.210 . . . . . . . . . . . . . 51947 6 60 1 4.237 . . . . . . . . . . . . . 51947 6 60 2 119.294 . . . . . . . . . . . . . 51947 6 60 3 8.008 . . . . . . . . . . . . . 51947 6 61 1 2.075 . . . . . . . . . . . . . 51947 6 61 2 119.324 . . . . . . . . . . . . . 51947 6 61 3 8.005 . . . . . . . . . . . . . 51947 6 62 1 1.640 . . . . . . . . . . . . . 51947 6 62 2 119.408 . . . . . . . . . . . . . 51947 6 62 3 8.007 . . . . . . . . . . . . . 51947 6 63 1 4.170 . . . . . . . . . . . . . 51947 6 63 2 114.036 . . . . . . . . . . . . . 51947 6 63 3 7.740 . . . . . . . . . . . . . 51947 6 64 1 1.394 . . . . . . . . . . . . . 51947 6 64 2 114.050 . . . . . . . . . . . . . 51947 6 64 3 7.740 . . . . . . . . . . . . . 51947 6 65 1 1.192 . . . . . . . . . . . . . 51947 6 65 2 114.059 . . . . . . . . . . . . . 51947 6 65 3 7.741 . . . . . . . . . . . . . 51947 6 66 1 4.102 . . . . . . . . . . . . . 51947 6 66 2 122.829 . . . . . . . . . . . . . 51947 6 66 3 7.862 . . . . . . . . . . . . . 51947 6 67 1 3.998 . . . . . . . . . . . . . 51947 6 67 2 122.805 . . . . . . . . . . . . . 51947 6 67 3 7.860 . . . . . . . . . . . . . 51947 6 68 1 4.660 . . . . . . . . . . . . . 51947 6 68 2 128.878 . . . . . . . . . . . . . 51947 6 68 3 7.551 . . . . . . . . . . . . . 51947 6 69 1 3.238 . . . . . . . . . . . . . 51947 6 69 2 128.858 . . . . . . . . . . . . . 51947 6 69 3 7.552 . . . . . . . . . . . . . 51947 6 70 1 3.134 . . . . . . . . . . . . . 51947 6 70 2 128.854 . . . . . . . . . . . . . 51947 6 70 3 7.553 . . . . . . . . . . . . . 51947 6 71 1 2.734 . . . . . . . . . . . . . 51947 6 71 2 120.182 . . . . . . . . . . . . . 51947 6 71 3 8.022 . . . . . . . . . . . . . 51947 6 72 1 2.665 . . . . . . . . . . . . . 51947 6 72 2 120.182 . . . . . . . . . . . . . 51947 6 72 3 8.021 . . . . . . . . . . . . . 51947 6 73 1 1.542 . . . . . . . . . . . . . 51947 6 73 2 118.715 . . . . . . . . . . . . . 51947 6 73 3 8.131 . . . . . . . . . . . . . 51947 6 74 1 1.780 . . . . . . . . . . . . . 51947 6 74 2 116.656 . . . . . . . . . . . . . 51947 6 74 3 8.214 . . . . . . . . . . . . . 51947 6 75 1 4.452 . . . . . . . . . . . . . 51947 6 75 2 123.747 . . . . . . . . . . . . . 51947 6 75 3 7.902 . . . . . . . . . . . . . 51947 6 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 4.201 . . . . . . 371 LEU HA . . . . . . . . . . . . 51947 6 1 2 . . . 108.875 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 6 1 3 . . . 8.400 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 6 2 1 . . . 1.564 . . . . . . 371 LEU HB2 . . . . . . . . . . . . 51947 6 2 2 . . . 108.870 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 6 2 3 . . . 8.400 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 6 3 1 . . . 4.269 . . . . . . 388 SER HA . . . . . . . . . . . . 51947 6 3 2 . . . 125.411 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 6 3 3 . . . 8.128 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 6 4 1 . . . 3.781 . . . . . . 388 SER HB3 . . . . . . . . . . . . 51947 6 4 2 . . . 125.439 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 6 4 3 . . . 8.129 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 6 5 1 . . . 3.988 . . . . . . 366 GLY HA2 . . . . . . . . . . . . 51947 6 5 2 . . . 113.820 . . . . . . 367 THR N . . . . . . . . . . . . 51947 6 5 3 . . . 8.186 . . . . . . 367 THR H . . . . . . . . . . . . 51947 6 6 1 . . . 4.279 . . . . . . 367 THR HA . . . . . . . . . . . . 51947 6 6 2 . . . 121.386 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 6 6 3 . . . 8.433 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 6 7 1 . . . 4.136 . . . . . . 367 THR HB . . . . . . . . . . . . 51947 6 7 2 . . . 121.388 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 6 7 3 . . . 8.434 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 6 8 1 . . . 4.644 . . . . . . 368 ASN HA . . . . . . . . . . . . 51947 6 8 2 . . . 120.182 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 6 8 3 . . . 8.021 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 6 9 1 . . . 4.000 . . . . . . 369 VAL HA . . . . . . . . . . . . 51947 6 9 2 . . . 123.843 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 6 9 3 . . . 8.289 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 6 10 1 . . . 1.973 . . . . . . 369 VAL HB . . . . . . . . . . . . 51947 6 10 2 . . . 123.835 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 6 10 3 . . . 8.289 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 6 11 1 . . . 2.645 . . . . . . 370 ASP HB2 . . . . . . . . . . . . 51947 6 11 2 . . . 123.567 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 6 11 3 . . . 8.236 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 6 12 1 . . . 2.500 . . . . . . 370 ASP HB3 . . . . . . . . . . . . 51947 6 12 2 . . . 123.550 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 6 12 3 . . . 8.236 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 6 13 1 . . . 3.754 . . . . . . 393 SER HB3 . . . . . . . . . . . . 51947 6 13 2 . . . 123.516 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 6 13 3 . . . 8.201 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 6 14 1 . . . 4.527 . . . . . . 370 ASP HA . . . . . . . . . . . . 51947 6 14 2 . . . 123.573 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 6 14 3 . . . 8.236 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 6 15 1 . . . 3.875 . . . . . . 372 GLY HA3 . . . . . . . . . . . . 51947 6 15 2 . . . 113.614 . . . . . . 373 THR N . . . . . . . . . . . . 51947 6 15 3 . . . 7.873 . . . . . . 373 THR H . . . . . . . . . . . . 51947 6 16 1 . . . 4.234 . . . . . . 373 THR HA . . . . . . . . . . . . 51947 6 16 2 . . . 124.502 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 6 16 3 . . . 8.167 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 6 17 1 . . . 4.130 . . . . . . 373 THR HB . . . . . . . . . . . . 51947 6 17 2 . . . 124.485 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 6 17 3 . . . 8.168 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 6 18 1 . . . 4.278 . . . . . . 374 LEU HA . . . . . . . . . . . . 51947 6 18 2 . . . 121.711 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 6 18 3 . . . 8.365 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 6 19 1 . . . 1.532 . . . . . . 374 LEU HB2 . . . . . . . . . . . . 51947 6 19 2 . . . 121.713 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 6 19 3 . . . 8.365 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 6 20 1 . . . 4.209 . . . . . . 375 GLU HA . . . . . . . . . . . . 51947 6 20 2 . . . 116.145 . . . . . . 376 SER N . . . . . . . . . . . . 51947 6 20 3 . . . 8.156 . . . . . . 376 SER H . . . . . . . . . . . . 51947 6 21 1 . . . 1.968 . . . . . . 375 GLU HB2 . . . . . . . . . . . . 51947 6 21 2 . . . 116.153 . . . . . . 376 SER N . . . . . . . . . . . . 51947 6 21 3 . . . 8.154 . . . . . . 376 SER H . . . . . . . . . . . . 51947 6 22 1 . . . 1.844 . . . . . . 375 GLU HB3 . . . . . . . . . . . . 51947 6 22 2 . . . 116.179 . . . . . . 376 SER N . . . . . . . . . . . . 51947 6 22 3 . . . 8.156 . . . . . . 376 SER H . . . . . . . . . . . . 51947 6 23 1 . . . 3.749 . . . . . . 376 SER HB3 . . . . . . . . . . . . 51947 6 23 2 . . . 122.873 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 6 23 3 . . . 8.428 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 6 24 1 . . . 4.330 . . . . . . 376 SER HA . . . . . . . . . . . . 51947 6 24 2 . . . 122.858 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 6 24 3 . . . 8.428 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 6 25 1 . . . 4.189 . . . . . . 377 GLU HA . . . . . . . . . . . . 51947 6 25 2 . . . 120.688 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 6 25 3 . . . 8.217 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 6 26 1 . . . 1.839 . . . . . . 377 GLU HB3 . . . . . . . . . . . . 51947 6 26 2 . . . 120.710 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 6 26 3 . . . 8.217 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 6 27 1 . . . 1.973 . . . . . . 377 GLU HB2 . . . . . . . . . . . . 51947 6 27 2 . . . 120.709 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 6 27 3 . . . 8.215 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 6 28 1 . . . 2.574 . . . . . . 378 ASP HB2 . . . . . . . . . . . . 51947 6 28 2 . . . 121.921 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 6 28 3 . . . 7.950 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 6 29 1 . . . 2.456 . . . . . . 378 ASP HB3 . . . . . . . . . . . . 51947 6 29 2 . . . 121.920 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 6 29 3 . . . 7.950 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 6 30 1 . . . 4.471 . . . . . . 378 ASP HA . . . . . . . . . . . . 51947 6 30 2 . . . 121.930 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 6 30 3 . . . 7.951 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 6 31 1 . . . 4.223 . . . . . . 379 LEU HA . . . . . . . . . . . . 51947 6 31 2 . . . 123.651 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 6 31 3 . . . 7.972 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 6 32 1 . . . 1.456 . . . . . . 379 LEU HB2 . . . . . . . . . . . . 51947 6 32 2 . . . 123.634 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 6 32 3 . . . 7.976 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 6 33 1 . . . 4.250 . . . . . . 381 PRO HA . . . . . . . . . . . . 51947 6 33 2 . . . 121.928 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 6 33 3 . . . 8.079 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 6 34 1 . . . 2.092 . . . . . . 381 PRO HB2 . . . . . . . . . . . . 51947 6 34 2 . . . 121.982 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 6 34 3 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 6 35 1 . . . 1.659 . . . . . . 381 PRO HB3 . . . . . . . . . . . . 51947 6 35 2 . . . 121.921 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 6 35 3 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 6 36 1 . . . 4.155 . . . . . . 382 LEU HA . . . . . . . . . . . . 51947 6 36 2 . . . 120.310 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 6 36 3 . . . 8.077 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 6 37 1 . . . 1.440 . . . . . . 382 LEU HB2 . . . . . . . . . . . . 51947 6 37 2 . . . 120.318 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 6 37 3 . . . 8.076 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 6 38 1 . . . 1.324 . . . . . . 382 LEU HB3 . . . . . . . . . . . . 51947 6 38 2 . . . 120.271 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 6 38 3 . . . 8.077 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 6 39 1 . . . 4.529 . . . . . . 383 PHE HA . . . . . . . . . . . . 51947 6 39 2 . . . 120.587 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 6 39 3 . . . 8.256 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 6 40 1 . . . 3.035 . . . . . . 383 PHE HB2 . . . . . . . . . . . . 51947 6 40 2 . . . 120.602 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 6 40 3 . . . 8.257 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 6 41 1 . . . 2.915 . . . . . . 383 PHE HB3 . . . . . . . . . . . . 51947 6 41 2 . . . 120.588 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 6 41 3 . . . 8.254 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 6 42 1 . . . 4.568 . . . . . . 384 ASN HA . . . . . . . . . . . . 51947 6 42 2 . . . 121.215 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 6 42 3 . . . 8.187 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 6 43 1 . . . 2.961 . . . . . . 396 PHE HB3 . . . . . . . . . . . . 51947 6 43 2 . . . 123.771 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 6 43 3 . . . 7.903 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 6 44 1 . . . 4.357 . . . . . . 393 SER HA . . . . . . . . . . . . 51947 6 44 2 . . . 123.496 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 6 44 3 . . . 8.200 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 6 45 1 . . . 2.622 . . . . . . 384 ASN HB3 . . . . . . . . . . . . 51947 6 45 2 . . . 121.197 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 6 45 3 . . . 8.185 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 6 46 1 . . . 2.533 . . . . . . 385 ASP HB3 . . . . . . . . . . . . 51947 6 46 2 . . . 119.933 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 6 46 3 . . . 7.965 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 6 47 1 . . . 2.612 . . . . . . 385 ASP HB2 . . . . . . . . . . . . 51947 6 47 2 . . . 119.942 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 6 47 3 . . . 7.966 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 6 48 1 . . . 4.474 . . . . . . 385 ASP HA . . . . . . . . . . . . 51947 6 48 2 . . . 119.933 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 6 48 3 . . . 7.965 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 6 49 1 . . . 3.953 . . . . . . 386 VAL HA . . . . . . . . . . . . 51947 6 49 2 . . . 122.986 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 6 49 3 . . . 8.328 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 6 50 1 . . . 2.026 . . . . . . 386 VAL HB . . . . . . . . . . . . 51947 6 50 2 . . . 122.979 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 6 50 3 . . . 8.328 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 6 51 1 . . . 4.133 . . . . . . 387 GLU HA . . . . . . . . . . . . 51947 6 51 2 . . . 116.218 . . . . . . 388 SER N . . . . . . . . . . . . 51947 6 51 3 . . . 8.124 . . . . . . 388 SER H . . . . . . . . . . . . 51947 6 52 1 . . . 1.932 . . . . . . 387 GLU HB3 . . . . . . . . . . . . 51947 6 52 2 . . . 116.231 . . . . . . 388 SER N . . . . . . . . . . . . 51947 6 52 3 . . . 8.123 . . . . . . 388 SER H . . . . . . . . . . . . 51947 6 53 1 . . . 4.197 . . . . . . 389 ALA HA . . . . . . . . . . . . 51947 6 53 2 . . . 119.776 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 6 53 3 . . . 7.911 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 6 54 1 . . . 1.302 . . . . . . 389 ALA HB . . . . . . . . . . . . 51947 6 54 2 . . . 119.795 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 6 54 3 . . . 7.912 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 6 55 1 . . . 4.159 . . . . . . 390 LEU HA . . . . . . . . . . . . 51947 6 55 2 . . . 118.575 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 6 55 3 . . . 8.134 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 6 56 1 . . . 2.737 . . . . . . 391 ASN HB2 . . . . . . . . . . . . 51947 6 56 2 . . . 121.528 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 6 56 3 . . . 8.087 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 6 57 1 . . . 2.645 . . . . . . 391 ASN HB3 . . . . . . . . . . . . 51947 6 57 2 . . . 121.547 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 6 57 3 . . . 8.088 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 6 58 1 . . . 4.570 . . . . . . 391 ASN HA . . . . . . . . . . . . 51947 6 58 2 . . . 121.540 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 6 58 3 . . . 8.089 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 6 59 1 . . . 4.239 . . . . . . 392 LYS HA . . . . . . . . . . . . 51947 6 59 2 . . . 116.703 . . . . . . 393 SER N . . . . . . . . . . . . 51947 6 59 3 . . . 8.210 . . . . . . 393 SER H . . . . . . . . . . . . 51947 6 60 1 . . . 4.237 . . . . . . 395 PRO HA . . . . . . . . . . . . 51947 6 60 2 . . . 119.294 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 6 60 3 . . . 8.008 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 6 61 1 . . . 2.075 . . . . . . 395 PRO HB2 . . . . . . . . . . . . 51947 6 61 2 . . . 119.324 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 6 61 3 . . . 8.005 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 6 62 1 . . . 1.640 . . . . . . 395 PRO HB3 . . . . . . . . . . . . 51947 6 62 2 . . . 119.408 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 6 62 3 . . . 8.007 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 6 63 1 . . . 4.170 . . . . . . 397 LEU HA . . . . . . . . . . . . 51947 6 63 2 . . . 114.036 . . . . . . 398 THR N . . . . . . . . . . . . 51947 6 63 3 . . . 7.740 . . . . . . 398 THR H . . . . . . . . . . . . 51947 6 64 1 . . . 1.394 . . . . . . 397 LEU HB2 . . . . . . . . . . . . 51947 6 64 2 . . . 114.050 . . . . . . 398 THR N . . . . . . . . . . . . 51947 6 64 3 . . . 7.740 . . . . . . 398 THR H . . . . . . . . . . . . 51947 6 65 1 . . . 1.192 . . . . . . 397 LEU HB3 . . . . . . . . . . . . 51947 6 65 2 . . . 114.059 . . . . . . 398 THR N . . . . . . . . . . . . 51947 6 65 3 . . . 7.741 . . . . . . 398 THR H . . . . . . . . . . . . 51947 6 66 1 . . . 4.102 . . . . . . 398 THR HA . . . . . . . . . . . . 51947 6 66 2 . . . 122.829 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 6 66 3 . . . 7.862 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 6 67 1 . . . 3.998 . . . . . . 398 THR HB . . . . . . . . . . . . 51947 6 67 2 . . . 122.805 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 6 67 3 . . . 7.860 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 6 68 1 . . . 4.660 . . . . . . 399 TRP HA . . . . . . . . . . . . 51947 6 68 2 . . . 128.878 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 6 68 3 . . . 7.551 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 6 69 1 . . . 3.238 . . . . . . 399 TRP HB2 . . . . . . . . . . . . 51947 6 69 2 . . . 128.858 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 6 69 3 . . . 7.552 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 6 70 1 . . . 3.134 . . . . . . 399 TRP HB3 . . . . . . . . . . . . 51947 6 70 2 . . . 128.854 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 6 70 3 . . . 7.553 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 6 71 1 . . . 2.734 . . . . . . 368 ASN HB2 . . . . . . . . . . . . 51947 6 71 2 . . . 120.182 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 6 71 3 . . . 8.022 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 6 72 1 . . . 2.665 . . . . . . 368 ASN HB3 . . . . . . . . . . . . 51947 6 72 2 . . . 120.182 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 6 72 3 . . . 8.021 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 6 73 1 . . . 1.542 . . . . . . 390 LEU HB3 . . . . . . . . . . . . 51947 6 73 2 . . . 118.715 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 6 73 3 . . . 8.131 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 6 74 1 . . . 1.780 . . . . . . 392 LYS HB2 . . . . . . . . . . . . 51947 6 74 2 . . . 116.656 . . . . . . 393 SER N . . . . . . . . . . . . 51947 6 74 3 . . . 8.214 . . . . . . 393 SER H . . . . . . . . . . . . 51947 6 75 1 . . . 4.452 . . . . . . 396 PHE HA . . . . . . . . . . . . 51947 6 75 2 . . . 123.747 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 6 75 3 . . . 7.902 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 6 stop_ loop_ _Peak_row_format.Index_ID _Peak_row_format.ID _Peak_row_format.Peak_ID _Peak_row_format.Volume _Peak_row_format.Volume_uncertainty _Peak_row_format.Height _Peak_row_format.Height_uncertainty _Peak_row_format.Figure_of_merit _Peak_row_format.Restraint _Peak_row_format.Position_1 _Peak_row_format.Position_uncertainty_1 _Peak_row_format.Position_2 _Peak_row_format.Position_uncertainty_2 _Peak_row_format.Position_3 _Peak_row_format.Position_uncertainty_3 _Peak_row_format.Position_4 _Peak_row_format.Position_uncertainty_4 _Peak_row_format.Entity_assembly_ID_1 _Peak_row_format.Entity_ID_1 _Peak_row_format.Comp_index_ID_1 _Peak_row_format.Seq_ID_1 _Peak_row_format.Comp_ID_1 _Peak_row_format.Atom_ID_1 _Peak_row_format.Ambiguity_code_1 _Peak_row_format.Ambiguity_set_ID_1 _Peak_row_format.Entity_assembly_ID_2 _Peak_row_format.Entity_ID_2 _Peak_row_format.Comp_index_ID_2 _Peak_row_format.Seq_ID_2 _Peak_row_format.Comp_ID_2 _Peak_row_format.Atom_ID_2 _Peak_row_format.Ambiguity_code_2 _Peak_row_format.Ambiguity_set_ID_2 _Peak_row_format.Entity_assembly_ID_3 _Peak_row_format.Entity_ID_3 _Peak_row_format.Comp_index_ID_3 _Peak_row_format.Seq_ID_3 _Peak_row_format.Comp_ID_3 _Peak_row_format.Atom_ID_3 _Peak_row_format.Ambiguity_code_3 _Peak_row_format.Ambiguity_set_ID_3 _Peak_row_format.Entity_assembly_ID_4 _Peak_row_format.Entity_ID_4 _Peak_row_format.Comp_index_ID_4 _Peak_row_format.Seq_ID_4 _Peak_row_format.Comp_ID_4 _Peak_row_format.Atom_ID_4 _Peak_row_format.Ambiguity_code_4 _Peak_row_format.Ambiguity_set_ID_4 _Peak_row_format.Entry_ID _Peak_row_format.Spectral_peak_list_ID . 1 . . . -320080773120.000000 . . . 4.201 . 108.875 . 8.400 . . . . . 371 . LEU HA . . . . 372 . GLY N . . . . 372 . GLY H . . . . . . . . . . 51947 6 . 10 . . . -270904950784.000000 . . . 1.973 . 123.835 . 8.289 . . . . . 369 . VAL HB . . . . 370 . ASP N . . . . 370 . ASP H . . . . . . . . . . 51947 6 . 11 . . . -569595527168.000000 . . . 2.645 . 123.567 . 8.236 . . . . . 370 . ASP HB2 . . . . 371 . LEU N . . . . 371 . LEU H . . . . . . . . . . 51947 6 . 12 . . . -542910709760.000000 . . . 2.500 . 123.550 . 8.236 . . . . . 370 . ASP HB3 . . . . 371 . LEU N . . . . 371 . LEU H . . . . . . . . . . 51947 6 . 13 . . . -540039315456.000000 . . . 3.754 . 123.516 . 8.201 . . . . . 393 . SER HB3 . . . . 394 . GLU N . . . . 394 . GLU H . . . . . . . . . . 51947 6 . 14 . . . -604203057152.000000 . . . 4.527 . 123.573 . 8.236 . . . . . 370 . ASP HA . . . . 371 . LEU N . . . . 371 . LEU H . . . . . . . . . . 51947 6 . 15 . . . -1472830898176.000000 . . . 3.875 . 113.614 . 7.873 . . . . . 372 . GLY HA3 . . . . 373 . THR N . . . . 373 . THR H . . . . . . . . . . 51947 6 . 16 . . . -345213239296.000000 . . . 4.234 . 124.502 . 8.167 . . . . . 373 . THR HA . . . . 374 . LEU N . . . . 374 . LEU H . . . . . . . . . . 51947 6 . 17 . . . -473793822720.000000 . . . 4.130 . 124.485 . 8.168 . . . . . 373 . THR HB . . . . 374 . LEU N . . . . 374 . LEU H . . . . . . . . . . 51947 6 . 18 . . . -345831374848.000000 . . . 4.278 . 121.711 . 8.365 . . . . . 374 . LEU HA . . . . 375 . GLU N . . . . 375 . GLU H . . . . . . . . . . 51947 6 . 19 . . . -146749554688.000000 . . . 1.532 . 121.713 . 8.365 . . . . . 374 . LEU HB2 . . . . 375 . GLU N . . . . 375 . GLU H . . . . . . . . . . 51947 6 . 2 . . . -179923910656.000000 . . . 1.564 . 108.870 . 8.400 . . . . . 371 . LEU HB2 . . . . 372 . GLY N . . . . 372 . GLY H . . . . . . . . . . 51947 6 . 20 . . . -685594312704.000000 . . . 4.209 . 116.145 . 8.156 . . . . . 375 . GLU HA . . . . 376 . SER N . . . . 376 . SER H . . . . . . . . . . 51947 6 . 21 . . . -273360142336.000000 . . . 1.968 . 116.153 . 8.154 . . . . . 375 . GLU HB2 . . . . 376 . SER N . . . . 376 . SER H . . . . . . . . . . 51947 6 . 22 . . . -336173662208.000000 . . . 1.844 . 116.179 . 8.156 . . . . . 375 . GLU HB3 . . . . 376 . SER N . . . . 376 . SER H . . . . . . . . . . 51947 6 . 23 . . . -593876221952.000000 . . . 3.749 . 122.873 . 8.428 . . . . . 376 . SER HB3 . . . . 377 . GLU N . . . . 377 . GLU H . . . . . . . . . . 51947 6 . 24 . . . -479658180608.000000 . . . 4.330 . 122.858 . 8.428 . . . . . 376 . SER HA . . . . 377 . GLU N . . . . 377 . GLU H . . . . . . . . . . 51947 6 . 25 . . . -822374694912.000000 . . . 4.189 . 120.688 . 8.217 . . . . . 377 . GLU HA . . . . 378 . ASP N . . . . 378 . ASP H . . . . . . . . . . 51947 6 . 26 . . . -322947186688.000000 . . . 1.839 . 120.710 . 8.217 . . . . . 377 . GLU HB3 . . . . 378 . ASP N . . . . 378 . ASP H . . . . . . . . . . 51947 6 . 27 . . . -265239052288.000000 . . . 1.973 . 120.709 . 8.215 . . . . . 377 . GLU HB2 . . . . 378 . ASP N . . . . 378 . ASP H . . . . . . . . . . 51947 6 . 28 . . . -426626908160.000000 . . . 2.574 . 121.921 . 7.950 . . . . . 378 . ASP HB2 . . . . 379 . LEU N . . . . 379 . LEU H . . . . . . . . . . 51947 6 . 29 . . . -411489533952.000000 . . . 2.456 . 121.920 . 7.950 . . . . . 378 . ASP HB3 . . . . 379 . LEU N . . . . 379 . LEU H . . . . . . . . . . 51947 6 . 3 . . . -325289181184.000000 . . . 4.269 . 125.411 . 8.128 . . . . . 388 . SER HA . . . . 389 . ALA N . . . . 389 . ALA H . . . . . . . . . . 51947 6 . 30 . . . -447420956672.000000 . . . 4.471 . 121.930 . 7.951 . . . . . 378 . ASP HA . . . . 379 . LEU N . . . . 379 . LEU H . . . . . . . . . . 51947 6 . 31 . . . -268527304704.000000 . . . 4.223 . 123.651 . 7.972 . . . . . 379 . LEU HA . . . . 380 . ILE N . . . . 380 . ILE H . . . . . . . . . . 51947 6 . 32 . . . -74038607872.000000 . . . 1.456 . 123.634 . 7.976 . . . . . 379 . LEU HB2 . . . . 380 . ILE N . . . . 380 . ILE H . . . . . . . . . . 51947 6 . 33 . . . -518619660288.000000 . . . 4.250 . 121.928 . 8.079 . . . . . 381 . PRO HA . . . . 382 . LEU N . . . . 382 . LEU H . . . . . . . . . . 51947 6 . 34 . . . -143180234752.000000 . . . 2.092 . 121.982 . 8.078 . . . . . 381 . PRO HB2 . . . . 382 . LEU N . . . . 382 . LEU H . . . . . . . . . . 51947 6 . 35 . . . -166279544832.000000 . . . 1.659 . 121.921 . 8.078 . . . . . 381 . PRO HB3 . . . . 382 . LEU N . . . . 382 . LEU H . . . . . . . . . . 51947 6 . 36 . . . -328857452544.000000 . . . 4.155 . 120.310 . 8.077 . . . . . 382 . LEU HA . . . . 383 . PHE N . . . . 383 . PHE H . . . . . . . . . . 51947 6 . 37 . . . -94391304192.000000 . . . 1.440 . 120.318 . 8.076 . . . . . 382 . LEU HB2 . . . . 383 . PHE N . . . . 383 . PHE H . . . . . . . . . . 51947 6 . 38 . . . -127574335488.000000 . . . 1.324 . 120.271 . 8.077 . . . . . 382 . LEU HB3 . . . . 383 . PHE N . . . . 383 . PHE H . . . . . . . . . . 51947 6 . 39 . . . -209749704704.000000 . . . 4.529 . 120.587 . 8.256 . . . . . 383 . PHE HA . . . . 384 . ASN N . . . . 384 . ASN H . . . . . . . . . . 51947 6 . 4 . . . -347536490496.000000 . . . 3.781 . 125.439 . 8.129 . . . . . 388 . SER HB3 . . . . 389 . ALA N . . . . 389 . ALA H . . . . . . . . . . 51947 6 . 40 . . . -126820253696.000000 . . . 3.035 . 120.602 . 8.257 . . . . . 383 . PHE HB2 . . . . 384 . ASN N . . . . 384 . ASN H . . . . . . . . . . 51947 6 . 41 . . . -116130881536.000000 . . . 2.915 . 120.588 . 8.254 . . . . . 383 . PHE HB3 . . . . 384 . ASN N . . . . 384 . ASN H . . . . . . . . . . 51947 6 . 42 . . . -475474296832.000000 . . . 4.568 . 121.215 . 8.187 . . . . . 384 . ASN HA . . . . 385 . ASP N . . . . 385 . ASP H . . . . . . . . . . 51947 6 . 43 . . . -119286636544.000000 . . . 2.961 . 123.771 . 7.903 . . . . . 396 . PHE HB3 . . . . 397 . LEU N . . . . 397 . LEU H . . . . . . . . . . 51947 6 . 44 . . . -231716962304.000000 . . . 4.357 . 123.496 . 8.200 . . . . . 393 . SER HA . . . . 394 . GLU N . . . . 394 . GLU H . . . . . . . . . . 51947 6 . 45 . . . -534835429376.000000 . . . 2.622 . 121.197 . 8.185 . . . . . 384 . ASN HB3 . . . . 385 . ASP N . . . . 385 . ASP H . . . . . . . . . . 51947 6 . 46 . . . -470157426688.000000 . . . 2.533 . 119.933 . 7.965 . . . . . 385 . ASP HB3 . . . . 386 . VAL N . . . . 386 . VAL H . . . . . . . . . . 51947 6 . 47 . . . -461761544192.000000 . . . 2.612 . 119.942 . 7.966 . . . . . 385 . ASP HB2 . . . . 386 . VAL N . . . . 386 . VAL H . . . . . . . . . . 51947 6 . 48 . . . -509867196416.000000 . . . 4.474 . 119.933 . 7.965 . . . . . 385 . ASP HA . . . . 386 . VAL N . . . . 386 . VAL H . . . . . . . . . . 51947 6 . 49 . . . -533926510592.000000 . . . 3.953 . 122.986 . 8.328 . . . . . 386 . VAL HA . . . . 387 . GLU N . . . . 387 . GLU H . . . . . . . . . . 51947 6 . 5 . . . -1233185800192.000000 . . . 3.988 . 113.820 . 8.186 . . . . . 366 . GLY HA2 . . . . 367 . THR N . . . . 367 . THR H . . . . . . . . . . 51947 6 . 50 . . . -204692258816.000000 . . . 2.026 . 122.979 . 8.328 . . . . . 386 . VAL HB . . . . 387 . GLU N . . . . 387 . GLU H . . . . . . . . . . 51947 6 . 51 . . . -577111195648.000000 . . . 4.133 . 116.218 . 8.124 . . . . . 387 . GLU HA . . . . 388 . SER N . . . . 388 . SER H . . . . . . . . . . 51947 6 . 52 . . . -217923780608.000000 . . . 1.932 . 116.231 . 8.123 . . . . . 387 . GLU HB3 . . . . 388 . SER N . . . . 388 . SER H . . . . . . . . . . 51947 6 . 53 . . . -3211420499968.000000 . . . 4.197 . 119.776 . 7.911 . . . . . 389 . ALA HA . . . . 390 . LEU N . . . . 390 . LEU H . . . . . . . . . . 51947 6 . 54 . . . -3734795976704.000000 . . . 1.302 . 119.795 . 7.912 . . . . . 389 . ALA HB . . . . 390 . LEU N . . . . 390 . LEU H . . . . . . . . . . 51947 6 . 55 . . . -192791822336.000000 . . . 4.159 . 118.575 . 8.134 . . . . . 390 . LEU HA . . . . 391 . ASN N . . . . 391 . ASN H . . . . . . . . . . 51947 6 . 56 . . . -223925600256.000000 . . . 2.737 . 121.528 . 8.087 . . . . . 391 . ASN HB2 . . . . 392 . LYS N . . . . 392 . LYS H . . . . . . . . . . 51947 6 . 57 . . . -217097060352.000000 . . . 2.645 . 121.547 . 8.088 . . . . . 391 . ASN HB3 . . . . 392 . LYS N . . . . 392 . LYS H . . . . . . . . . . 51947 6 . 58 . . . -184725766144.000000 . . . 4.570 . 121.540 . 8.089 . . . . . 391 . ASN HA . . . . 392 . LYS N . . . . 392 . LYS H . . . . . . . . . . 51947 6 . 59 . . . -233687908352.000000 . . . 4.239 . 116.703 . 8.210 . . . . . 392 . LYS HA . . . . 393 . SER N . . . . 393 . SER H . . . . . . . . . . 51947 6 . 6 . . . -369448747008.000000 . . . 4.279 . 121.386 . 8.433 . . . . . 367 . THR HA . . . . 368 . ASN N . . . . 368 . ASN H . . . . . . . . . . 51947 6 . 60 . . . -327639367680.000000 . . . 4.237 . 119.294 . 8.008 . . . . . 395 . PRO HA . . . . 396 . PHE N . . . . 396 . PHE H . . . . . . . . . . 51947 6 . 61 . . . -98929623040.000000 . . . 2.075 . 119.324 . 8.005 . . . . . 395 . PRO HB2 . . . . 396 . PHE N . . . . 396 . PHE H . . . . . . . . . . 51947 6 . 62 . . . -122696663040.000000 . . . 1.640 . 119.408 . 8.007 . . . . . 395 . PRO HB3 . . . . 396 . PHE N . . . . 396 . PHE H . . . . . . . . . . 51947 6 . 63 . . . -142759985152.000000 . . . 4.170 . 114.036 . 7.740 . . . . . 397 . LEU HA . . . . 398 . THR N . . . . 398 . THR H . . . . . . . . . . 51947 6 . 64 . . . -46619467776.000000 . . . 1.394 . 114.050 . 7.740 . . . . . 397 . LEU HB2 . . . . 398 . THR N . . . . 398 . THR H . . . . . . . . . . 51947 6 . 65 . . . -42938068992.000000 . . . 1.192 . 114.059 . 7.741 . . . . . 397 . LEU HB3 . . . . 398 . THR N . . . . 398 . THR H . . . . . . . . . . 51947 6 . 66 . . . -273202249728.000000 . . . 4.102 . 122.829 . 7.862 . . . . . 398 . THR HA . . . . 399 . TRP N . . . . 399 . TRP H . . . . . . . . . . 51947 6 . 67 . . . -309175255040.000000 . . . 3.998 . 122.805 . 7.860 . . . . . 398 . THR HB . . . . 399 . TRP N . . . . 399 . TRP H . . . . . . . . . . 51947 6 . 68 . . . -2591464095744.000000 . . . 4.660 . 128.878 . 7.551 . . . . . 399 . TRP HA . . . . 400 . LEU N . . . . 400 . LEU H . . . . . . . . . . 51947 6 . 69 . . . -245767749632.000000 . . . 3.238 . 128.858 . 7.552 . . . . . 399 . TRP HB2 . . . . 400 . LEU N . . . . 400 . LEU H . . . . . . . . . . 51947 6 . 7 . . . -424414216192.000000 . . . 4.136 . 121.388 . 8.434 . . . . . 367 . THR HB . . . . 368 . ASN N . . . . 368 . ASN H . . . . . . . . . . 51947 6 . 70 . . . -254971985920.000000 . . . 3.134 . 128.854 . 7.553 . . . . . 399 . TRP HB3 . . . . 400 . LEU N . . . . 400 . LEU H . . . . . . . . . . 51947 6 . 71 . . . -565931868160.000000 . . . 2.734 . 120.182 . 8.022 . . . . . 368 . ASN HB2 . . . . 369 . VAL N . . . . 369 . VAL H . . . . . . . . . . 51947 6 . 72 . . . -527422816256.000000 . . . 2.665 . 120.182 . 8.021 . . . . . 368 . ASN HB3 . . . . 369 . VAL N . . . . 369 . VAL H . . . . . . . . . . 51947 6 . 73 . . . -106086834176.000000 . . . 1.542 . 118.715 . 8.131 . . . . . 390 . LEU HB3 . . . . 391 . ASN N . . . . 391 . ASN H . . . . . . . . . . 51947 6 . 74 . . . -112396115968.000000 . . . 1.780 . 116.656 . 8.214 . . . . . 392 . LYS HB2 . . . . 393 . SER N . . . . 393 . SER H . . . . . . . . . . 51947 6 . 75 . . . -142361952256.000000 . . . 4.452 . 123.747 . 7.902 . . . . . 396 . PHE HA . . . . 397 . LEU N . . . . 397 . LEU H . . . . . . . . . . 51947 6 . 8 . . . -520163164160.000000 . . . 4.644 . 120.182 . 8.021 . . . . . 368 . ASN HA . . . . 369 . VAL N . . . . 369 . VAL H . . . . . . . . . . 51947 6 . 9 . . . -607405998080.000000 . . . 4.000 . 123.843 . 8.289 . . . . . 369 . VAL HA . . . . 370 . ASP N . . . . 370 . ASP H . . . . . . . . . . 51947 6 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 51947 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name 'peak list 7 15N-noesy' _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 9 _Spectral_peak_list.Experiment_name '3D 1H-15N 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 . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 . . N 15 N* . 'not observed' 1824.568 Hz . . . . . . 51947 7 2 . . H 1 H* . 'not observed' 6001.500 Hz . . . . . . 51947 7 3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 7 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 3 $software_3 . . 51947 7 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 93452976128.000000 . height 51947 7 2 19096399872.000000 . height 51947 7 3 29835311104.000000 . height 51947 7 4 10562522112.000000 . height 51947 7 5 14196238336.000000 . height 51947 7 6 13113142272.000000 . height 51947 7 7 31963340800.000000 . height 51947 7 8 10402847744.000000 . height 51947 7 9 30213265408.000000 . height 51947 7 10 8350586880.000000 . height 51947 7 11 9088425984.000000 . height 51947 7 12 16920133632.000000 . height 51947 7 13 26704375808.000000 . height 51947 7 14 23301697536.000000 . height 51947 7 15 29062182912.000000 . height 51947 7 16 7793931264.000000 . height 51947 7 17 35581931520.000000 . height 51947 7 18 6518977024.000000 . height 51947 7 19 22835468288.000000 . height 51947 7 20 15114855424.000000 . height 51947 7 21 66830729216.000000 . height 51947 7 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 123.679 . . . . . . . . . . . . . 51947 7 1 2 4.239 . . . . . . . . . . . . . 51947 7 1 3 7.974 . . . . . . . . . . . . . 51947 7 2 1 122.842 . . . . . . . . . . . . . 51947 7 2 2 4.104 . . . . . . . . . . . . . 51947 7 2 3 7.859 . . . . . . . . . . . . . 51947 7 3 1 123.768 . . . . . . . . . . . . . 51947 7 3 2 4.465 . . . . . . . . . . . . . 51947 7 3 3 7.900 . . . . . . . . . . . . . 51947 7 4 1 128.867 . . . . . . . . . . . . . 51947 7 4 2 4.644 . . . . . . . . . . . . . 51947 7 4 3 7.549 . . . . . . . . . . . . . 51947 7 5 1 123.761 . . . . . . . . . . . . . 51947 7 5 2 1.405 . . . . . . . . . . . . . 51947 7 5 3 7.899 . . . . . . . . . . . . . 51947 7 6 1 119.292 . . . . . . . . . . . . . 51947 7 6 2 2.955 . . . . . . . . . . . . . 51947 7 6 3 8.005 . . . . . . . . . . . . . 51947 7 7 1 119.351 . . . . . . . . . . . . . 51947 7 7 2 4.241 . . . . . . . . . . . . . 51947 7 7 3 8.006 . . . . . . . . . . . . . 51947 7 8 1 119.422 . . . . . . . . . . . . . 51947 7 8 2 4.482 . . . . . . . . . . . . . 51947 7 8 3 8.001 . . . . . . . . . . . . . 51947 7 9 1 123.528 . . . . . . . . . . . . . 51947 7 9 2 4.369 . . . . . . . . . . . . . 51947 7 9 3 8.195 . . . . . . . . . . . . . 51947 7 10 1 116.741 . . . . . . . . . . . . . 51947 7 10 2 3.769 . . . . . . . . . . . . . 51947 7 10 3 8.201 . . . . . . . . . . . . . 51947 7 11 1 125.377 . . . . . . . . . . . . . 51947 7 11 2 1.308 . . . . . . . . . . . . . 51947 7 11 3 8.128 . . . . . . . . . . . . . 51947 7 12 1 116.194 . . . . . . . . . . . . . 51947 7 12 2 3.781 . . . . . . . . . . . . . 51947 7 12 3 8.119 . . . . . . . . . . . . . 51947 7 13 1 116.111 . . . . . . . . . . . . . 51947 7 13 2 3.772 . . . . . . . . . . . . . 51947 7 13 3 8.153 . . . . . . . . . . . . . 51947 7 14 1 122.993 . . . . . . . . . . . . . 51947 7 14 2 4.132 . . . . . . . . . . . . . 51947 7 14 3 8.326 . . . . . . . . . . . . . 51947 7 15 1 123.032 . . . . . . . . . . . . . 51947 7 15 2 1.934 . . . . . . . . . . . . . 51947 7 15 3 8.326 . . . . . . . . . . . . . 51947 7 16 1 122.867 . . . . . . . . . . . . . 51947 7 16 2 0.860 . . . . . . . . . . . . . 51947 7 16 3 8.322 . . . . . . . . . . . . . 51947 7 17 1 119.939 . . . . . . . . . . . . . 51947 7 17 2 8.351 . . . . . . . . . . . . . 51947 7 17 3 7.961 . . . . . . . . . . . . . 51947 7 18 1 119.866 . . . . . . . . . . . . . 51947 7 18 2 2.596 . . . . . . . . . . . . . 51947 7 18 3 7.967 . . . . . . . . . . . . . 51947 7 19 1 119.879 . . . . . . . . . . . . . 51947 7 19 2 0.861 . . . . . . . . . . . . . 51947 7 19 3 7.963 . . . . . . . . . . . . . 51947 7 20 1 121.299 . . . . . . . . . . . . . 51947 7 20 2 7.934 . . . . . . . . . . . . . 51947 7 20 3 8.183 . . . . . . . . . . . . . 51947 7 21 1 121.812 . . . . . . . . . . . . . 51947 7 21 2 8.196 . . . . . . . . . . . . . 51947 7 21 3 7.952 . . . . . . . . . . . . . 51947 7 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 123.679 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 7 1 2 . . . 4.239 . . . . . . 380 ILE HA . . . . . . . . . . . . 51947 7 1 3 . . . 7.974 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 7 2 1 . . . 122.842 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 7 2 2 . . . 4.104 . . . . . . 398 THR HA . . . . . . . . . . . . 51947 7 2 3 . . . 7.859 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 7 3 1 . . . 123.768 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 7 3 2 . . . 4.465 . . . . . . 396 PHE HA . . . . . . . . . . . . 51947 7 3 3 . . . 7.900 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 7 4 1 . . . 128.867 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 7 4 2 . . . 4.644 . . . . . . 399 TRP HA . . . . . . . . . . . . 51947 7 4 3 . . . 7.549 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 7 5 1 . . . 123.761 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 7 5 2 . . . 1.405 . . . . . . 397 LEU HB2 . . . . . . . . . . . . 51947 7 5 3 . . . 7.899 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 7 6 1 . . . 119.292 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 7 6 2 . . . 2.955 . . . . . . 396 PHE HB3 . . . . . . . . . . . . 51947 7 6 3 . . . 8.005 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 7 7 1 . . . 119.351 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 7 7 2 . . . 4.241 . . . . . . 395 PRO HA . . . . . . . . . . . . 51947 7 7 3 . . . 8.006 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 7 8 1 . . . 119.422 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 7 8 2 . . . 4.482 . . . . . . 396 PHE HA . . . . . . . . . . . . 51947 7 8 3 . . . 8.001 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 7 9 1 . . . 123.528 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 7 9 2 . . . 4.369 . . . . . . 393 SER HA . . . . . . . . . . . . 51947 7 9 3 . . . 8.195 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 7 10 1 . . . 116.741 . . . . . . 393 SER N . . . . . . . . . . . . 51947 7 10 2 . . . 3.769 . . . . . . 393 SER HB3 . . . . . . . . . . . . 51947 7 10 3 . . . 8.201 . . . . . . 393 SER H . . . . . . . . . . . . 51947 7 11 1 . . . 125.377 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 7 11 2 . . . 1.308 . . . . . . 389 ALA HB . . . . . . . . . . . . 51947 7 11 3 . . . 8.128 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 7 12 1 . . . 116.194 . . . . . . 388 SER N . . . . . . . . . . . . 51947 7 12 2 . . . 3.781 . . . . . . 388 SER HB3 . . . . . . . . . . . . 51947 7 12 3 . . . 8.119 . . . . . . 388 SER H . . . . . . . . . . . . 51947 7 13 1 . . . 116.111 . . . . . . 376 SER N . . . . . . . . . . . . 51947 7 13 2 . . . 3.772 . . . . . . 376 SER HB3 . . . . . . . . . . . . 51947 7 13 3 . . . 8.153 . . . . . . 376 SER H . . . . . . . . . . . . 51947 7 14 1 . . . 122.993 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 7 14 2 . . . 4.132 . . . . . . 387 GLU HA . . . . . . . . . . . . 51947 7 14 3 . . . 8.326 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 7 15 1 . . . 123.032 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 7 15 2 . . . 1.934 . . . . . . 387 GLU HB3 . . . . . . . . . . . . 51947 7 15 3 . . . 8.326 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 7 16 1 . . . 122.867 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 7 16 2 . . . 0.860 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 7 16 3 . . . 8.322 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 7 17 1 . . . 119.939 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 7 17 2 . . . 8.351 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 7 17 3 . . . 7.961 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 7 18 1 . . . 119.866 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 7 18 2 . . . 2.596 . . . . . . 385 ASP HB2 . . . . . . . . . . . . 51947 7 18 3 . . . 7.967 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 7 19 1 . . . 119.879 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 7 19 2 . . . 0.861 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 7 19 3 . . . 7.963 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 7 20 1 . . . 121.299 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 7 20 2 . . . 7.934 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 7 20 3 . . . 8.183 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 7 21 1 . . . 121.812 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 7 21 2 . . . 8.196 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 7 21 3 . . . 7.952 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 7 stop_ loop_ _Peak_row_format.Index_ID _Peak_row_format.ID _Peak_row_format.Peak_ID _Peak_row_format.Volume _Peak_row_format.Volume_uncertainty _Peak_row_format.Height _Peak_row_format.Height_uncertainty _Peak_row_format.Figure_of_merit _Peak_row_format.Restraint _Peak_row_format.Position_1 _Peak_row_format.Position_uncertainty_1 _Peak_row_format.Position_2 _Peak_row_format.Position_uncertainty_2 _Peak_row_format.Position_3 _Peak_row_format.Position_uncertainty_3 _Peak_row_format.Position_4 _Peak_row_format.Position_uncertainty_4 _Peak_row_format.Entity_assembly_ID_1 _Peak_row_format.Entity_ID_1 _Peak_row_format.Comp_index_ID_1 _Peak_row_format.Seq_ID_1 _Peak_row_format.Comp_ID_1 _Peak_row_format.Atom_ID_1 _Peak_row_format.Ambiguity_code_1 _Peak_row_format.Ambiguity_set_ID_1 _Peak_row_format.Entity_assembly_ID_2 _Peak_row_format.Entity_ID_2 _Peak_row_format.Comp_index_ID_2 _Peak_row_format.Seq_ID_2 _Peak_row_format.Comp_ID_2 _Peak_row_format.Atom_ID_2 _Peak_row_format.Ambiguity_code_2 _Peak_row_format.Ambiguity_set_ID_2 _Peak_row_format.Entity_assembly_ID_3 _Peak_row_format.Entity_ID_3 _Peak_row_format.Comp_index_ID_3 _Peak_row_format.Seq_ID_3 _Peak_row_format.Comp_ID_3 _Peak_row_format.Atom_ID_3 _Peak_row_format.Ambiguity_code_3 _Peak_row_format.Ambiguity_set_ID_3 _Peak_row_format.Entity_assembly_ID_4 _Peak_row_format.Entity_ID_4 _Peak_row_format.Comp_index_ID_4 _Peak_row_format.Seq_ID_4 _Peak_row_format.Comp_ID_4 _Peak_row_format.Atom_ID_4 _Peak_row_format.Ambiguity_code_4 _Peak_row_format.Ambiguity_set_ID_4 _Peak_row_format.Entry_ID _Peak_row_format.Spectral_peak_list_ID . 1 . . . 93452976128.000000 . . . 123.679 . 4.239 . 7.974 . . . . . 380 . ILE N . . . . 380 . ILE HA . . . . 380 . ILE H . . . . . . . . . . 51947 7 . 10 . . . 8350586880.000000 . . . 116.741 . 3.769 . 8.201 . . . . . 393 . SER N . . . . 393 . SER HB3 . . . . 393 . SER H . . . . . . . . . . 51947 7 . 11 . . . 9088425984.000000 . . . 125.377 . 1.308 . 8.128 . . . . . 389 . ALA N . . . . 389 . ALA HB . . . . 389 . ALA H . . . . . . . . . . 51947 7 . 12 . . . 16920133632.000000 . . . 116.194 . 3.781 . 8.119 . . . . . 388 . SER N . . . . 388 . SER HB3 . . . . 388 . SER H . . . . . . . . . . 51947 7 . 13 . . . 26704375808.000000 . . . 116.111 . 3.772 . 8.153 . . . . . 376 . SER N . . . . 376 . SER HB3 . . . . 376 . SER H . . . . . . . . . . 51947 7 . 14 . . . 23301697536.000000 . . . 122.993 . 4.132 . 8.326 . . . . . 387 . GLU N . . . . 387 . GLU HA . . . . 387 . GLU H . . . . . . . . . . 51947 7 . 15 . . . 29062182912.000000 . . . 123.032 . 1.934 . 8.326 . . . . . 387 . GLU N . . . . 387 . GLU HB3 . . . . 387 . GLU H . . . . . . . . . . 51947 7 . 16 . . . 7793931264.000000 . . . 122.867 . 0.860 . 8.322 . . . . . 387 . GLU N . . . . 386 . VAL HG1 . . . . 387 . GLU H . . . . . . . . . . 51947 7 . 17 . . . 35581931520.000000 . . . 119.939 . 8.351 . 7.961 . . . . . 386 . VAL N . . . . 387 . GLU H . . . . 386 . VAL H . . . . . . . . . . 51947 7 . 18 . . . 6518977024.000000 . . . 119.866 . 2.596 . 7.967 . . . . . 386 . VAL N . . . . 385 . ASP HB2 . . . . 386 . VAL H . . . . . . . . . . 51947 7 . 19 . . . 22835468288.000000 . . . 119.879 . 0.861 . 7.963 . . . . . 386 . VAL N . . . . 386 . VAL HG1 . . . . 386 . VAL H . . . . . . . . . . 51947 7 . 2 . . . 19096399872.000000 . . . 122.842 . 4.104 . 7.859 . . . . . 399 . TRP N . . . . 398 . THR HA . . . . 399 . TRP H . . . . . . . . . . 51947 7 . 20 . . . 15114855424.000000 . . . 121.299 . 7.934 . 8.183 . . . . . 385 . ASP N . . . . 386 . VAL H . . . . 385 . ASP H . . . . . . . . . . 51947 7 . 21 . . . 66830729216.000000 . . . 121.812 . 8.196 . 7.952 . . . . . 379 . LEU N . . . . 378 . ASP H . . . . 379 . LEU H . . . . . . . . . . 51947 7 . 3 . . . 29835311104.000000 . . . 123.768 . 4.465 . 7.900 . . . . . 397 . LEU N . . . . 396 . PHE HA . . . . 397 . LEU H . . . . . . . . . . 51947 7 . 4 . . . 10562522112.000000 . . . 128.867 . 4.644 . 7.549 . . . . . 400 . LEU N . . . . 399 . TRP HA . . . . 400 . LEU H . . . . . . . . . . 51947 7 . 5 . . . 14196238336.000000 . . . 123.761 . 1.405 . 7.899 . . . . . 397 . LEU N . . . . 397 . LEU HB2 . . . . 397 . LEU H . . . . . . . . . . 51947 7 . 6 . . . 13113142272.000000 . . . 119.292 . 2.955 . 8.005 . . . . . 396 . PHE N . . . . 396 . PHE HB3 . . . . 396 . PHE H . . . . . . . . . . 51947 7 . 7 . . . 31963340800.000000 . . . 119.351 . 4.241 . 8.006 . . . . . 396 . PHE N . . . . 395 . PRO HA . . . . 396 . PHE H . . . . . . . . . . 51947 7 . 8 . . . 10402847744.000000 . . . 119.422 . 4.482 . 8.001 . . . . . 396 . PHE N . . . . 396 . PHE HA . . . . 396 . PHE H . . . . . . . . . . 51947 7 . 9 . . . 30213265408.000000 . . . 123.528 . 4.369 . 8.195 . . . . . 394 . GLU N . . . . 393 . SER HA . . . . 394 . GLU H . . . . . . . . . . 51947 7 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_8 _Spectral_peak_list.Entry_ID 51947 _Spectral_peak_list.ID 8 _Spectral_peak_list.Name 'peak list 8 hcch-cosy scrub' _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 7 _Spectral_peak_list.Experiment_name '3D HCCH-COSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 . . C 13 C* . 'not observed' 12000 Hz . . . . . . 51947 8 2 . . H 1 H* . 'not observed' 3000 Hz . . . . . . 51947 8 3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 8 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 3 $software_3 . . 51947 8 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 157827137536.000000 . height 51947 8 2 42286551040.000000 . height 51947 8 3 58622877696.000000 . height 51947 8 4 1926934036480.000000 . height 51947 8 5 134734462976.000000 . height 51947 8 6 2371886252032.000000 . height 51947 8 7 1036930121728.000000 . height 51947 8 8 250749173760.000000 . height 51947 8 9 161823899648.000000 . height 51947 8 10 75556306944.000000 . height 51947 8 11 84642291712.000000 . height 51947 8 12 236665913344.000000 . height 51947 8 13 315798519808.000000 . height 51947 8 14 49964101632.000000 . height 51947 8 15 52261322752.000000 . height 51947 8 16 104122752.000000 . height 51947 8 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 42.375 . . . . . . . . . . . . . 51947 8 1 2 3.999 . . . . . . . . . . . . . 51947 8 1 3 3.966 . . . . . . . . . . . . . 51947 8 2 1 9.492 . . . . . . . . . . . . . 51947 8 2 2 0.737 . . . . . . . . . . . . . 51947 8 2 3 1.052 . . . . . . . . . . . . . 51947 8 3 1 9.497 . . . . . . . . . . . . . 51947 8 3 2 0.738 . . . . . . . . . . . . . 51947 8 3 3 1.400 . . . . . . . . . . . . . 51947 8 4 1 14.186 . . . . . . . . . . . . . 51947 8 4 2 0.812 . . . . . . . . . . . . . 51947 8 4 3 0.819 . . . . . . . . . . . . . 51947 8 5 1 13.976 . . . . . . . . . . . . . 51947 8 5 2 0.813 . . . . . . . . . . . . . 51947 8 5 3 1.766 . . . . . . . . . . . . . 51947 8 6 1 16.330 . . . . . . . . . . . . . 51947 8 6 2 1.281 . . . . . . . . . . . . . 51947 8 6 3 1.290 . . . . . . . . . . . . . 51947 8 7 1 18.220 . . . . . . . . . . . . . 51947 8 7 2 0.976 . . . . . . . . . . . . . 51947 8 7 3 0.985 . . . . . . . . . . . . . 51947 8 8 1 17.794 . . . . . . . . . . . . . 51947 8 8 2 0.825 . . . . . . . . . . . . . 51947 8 8 3 2.015 . . . . . . . . . . . . . 51947 8 9 1 66.664 . . . . . . . . . . . . . 51947 8 9 2 4.146 . . . . . . . . . . . . . 51947 8 9 3 1.086 . . . . . . . . . . . . . 51947 8 10 1 66.938 . . . . . . . . . . . . . 51947 8 10 2 4.017 . . . . . . . . . . . . . 51947 8 10 3 0.986 . . . . . . . . . . . . . 51947 8 11 1 66.664 . . . . . . . . . . . . . 51947 8 11 2 4.123 . . . . . . . . . . . . . 51947 8 11 3 1.070 . . . . . . . . . . . . . 51947 8 12 1 35.284 . . . . . . . . . . . . . 51947 8 12 2 1.758 . . . . . . . . . . . . . 51947 8 12 3 1.766 . . . . . . . . . . . . . 51947 8 13 1 35.284 . . . . . . . . . . . . . 51947 8 13 2 1.759 . . . . . . . . . . . . . 51947 8 13 3 0.821 . . . . . . . . . . . . . 51947 8 14 1 35.282 . . . . . . . . . . . . . 51947 8 14 2 1.754 . . . . . . . . . . . . . 51947 8 14 3 1.059 . . . . . . . . . . . . . 51947 8 15 1 35.277 . . . . . . . . . . . . . 51947 8 15 2 1.753 . . . . . . . . . . . . . 51947 8 15 3 1.402 . . . . . . . . . . . . . 51947 8 16 1 18.436 . . . . . . . . . . . . . 51947 8 16 2 1.072 . . . . . . . . . . . . . 51947 8 16 3 4.124 . . . . . . . . . . . . . 51947 8 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 42.375 . . . . . . 366 GLY CA . . . . . . . . . . . . 51947 8 1 2 . . . 3.999 . . . . . . 366 GLY HA2 . . . . . . . . . . . . 51947 8 1 3 . . . 3.966 . . . . . . 366 GLY HA2 . . . . . . . . . . . . 51947 8 2 1 . . . 9.492 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 8 2 2 . . . 0.737 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 8 2 3 . . . 1.052 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 8 3 1 . . . 9.497 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 8 3 2 . . . 0.738 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 8 3 3 . . . 1.400 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 8 4 1 . . . 14.186 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 8 4 2 . . . 0.812 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8 4 3 . . . 0.819 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8 5 1 . . . 13.976 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 8 5 2 . . . 0.813 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8 5 3 . . . 1.766 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8 6 1 . . . 16.330 . . . . . . 389 ALA CB . . . . . . . . . . . . 51947 8 6 2 . . . 1.281 . . . . . . 389 ALA HB . . . . . . . . . . . . 51947 8 6 3 . . . 1.290 . . . . . . 389 ALA HB . . . . . . . . . . . . 51947 8 7 1 . . . 18.220 . . . . . . 398 THR CG2 . . . . . . . . . . . . 51947 8 7 2 . . . 0.976 . . . . . . 398 THR HG2 . . . . . . . . . . . . 51947 8 7 3 . . . 0.985 . . . . . . 398 THR HG2 . . . . . . . . . . . . 51947 8 8 1 . . . 17.794 . . . . . . 386 VAL CG1 . . . . . . . . . . . . 51947 8 8 2 . . . 0.825 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 8 8 3 . . . 2.015 . . . . . . 386 VAL HB . . . . . . . . . . . . 51947 8 9 1 . . . 66.664 . . . . . . 367 THR CB . . . . . . . . . . . . 51947 8 9 2 . . . 4.146 . . . . . . 367 THR HB . . . . . . . . . . . . 51947 8 9 3 . . . 1.086 . . . . . . 367 THR HG2 . . . . . . . . . . . . 51947 8 10 1 . . . 66.938 . . . . . . 398 THR CB . . . . . . . . . . . . 51947 8 10 2 . . . 4.017 . . . . . . 398 THR HB . . . . . . . . . . . . 51947 8 10 3 . . . 0.986 . . . . . . 398 THR HG2 . . . . . . . . . . . . 51947 8 11 1 . . . 66.664 . . . . . . 373 THR CB . . . . . . . . . . . . 51947 8 11 2 . . . 4.123 . . . . . . 373 THR HB . . . . . . . . . . . . 51947 8 11 3 . . . 1.070 . . . . . . 373 THR HG2 . . . . . . . . . . . . 51947 8 12 1 . . . 35.284 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8 12 2 . . . 1.758 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8 12 3 . . . 1.766 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8 13 1 . . . 35.284 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8 13 2 . . . 1.759 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8 13 3 . . . 0.821 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8 14 1 . . . 35.282 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8 14 2 . . . 1.754 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8 14 3 . . . 1.059 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 8 15 1 . . . 35.277 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8 15 2 . . . 1.753 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8 15 3 . . . 1.402 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 8 16 1 . . . 18.436 . . . . . . 373 THR CG2 . . . . . . . . . . . . 51947 8 16 2 . . . 1.072 . . . . . . 373 THR HG2 . . . . . . . . . . . . 51947 8 16 3 . . . 4.124 . . . . . . 373 THR HB . . . . . . . . . . . . 51947 8 stop_ loop_ _Peak_row_format.Index_ID _Peak_row_format.ID _Peak_row_format.Peak_ID _Peak_row_format.Volume _Peak_row_format.Volume_uncertainty _Peak_row_format.Height _Peak_row_format.Height_uncertainty _Peak_row_format.Figure_of_merit _Peak_row_format.Restraint _Peak_row_format.Position_1 _Peak_row_format.Position_uncertainty_1 _Peak_row_format.Position_2 _Peak_row_format.Position_uncertainty_2 _Peak_row_format.Position_3 _Peak_row_format.Position_uncertainty_3 _Peak_row_format.Position_4 _Peak_row_format.Position_uncertainty_4 _Peak_row_format.Entity_assembly_ID_1 _Peak_row_format.Entity_ID_1 _Peak_row_format.Comp_index_ID_1 _Peak_row_format.Seq_ID_1 _Peak_row_format.Comp_ID_1 _Peak_row_format.Atom_ID_1 _Peak_row_format.Ambiguity_code_1 _Peak_row_format.Ambiguity_set_ID_1 _Peak_row_format.Entity_assembly_ID_2 _Peak_row_format.Entity_ID_2 _Peak_row_format.Comp_index_ID_2 _Peak_row_format.Seq_ID_2 _Peak_row_format.Comp_ID_2 _Peak_row_format.Atom_ID_2 _Peak_row_format.Ambiguity_code_2 _Peak_row_format.Ambiguity_set_ID_2 _Peak_row_format.Entity_assembly_ID_3 _Peak_row_format.Entity_ID_3 _Peak_row_format.Comp_index_ID_3 _Peak_row_format.Seq_ID_3 _Peak_row_format.Comp_ID_3 _Peak_row_format.Atom_ID_3 _Peak_row_format.Ambiguity_code_3 _Peak_row_format.Ambiguity_set_ID_3 _Peak_row_format.Entity_assembly_ID_4 _Peak_row_format.Entity_ID_4 _Peak_row_format.Comp_index_ID_4 _Peak_row_format.Seq_ID_4 _Peak_row_format.Comp_ID_4 _Peak_row_format.Atom_ID_4 _Peak_row_format.Ambiguity_code_4 _Peak_row_format.Ambiguity_set_ID_4 _Peak_row_format.Entry_ID _Peak_row_format.Spectral_peak_list_ID . 1 . . . 157827137536.000000 . . . 42.375 . 3.999 . 3.966 . . . . . 366 . GLY CA . . . . 366 . GLY HA2 . . . . 366 . GLY HA2 . . . . . . . . . . 51947 8 . 10 . . . 75556306944.000000 . . . 66.938 . 4.017 . 0.986 . . . . . 398 . THR CB . . . . 398 . THR HB . . . . 398 . THR HG2 . . . . . . . . . . 51947 8 . 11 . . . 84642291712.000000 . . . 66.664 . 4.123 . 1.070 . . . . . 373 . THR CB . . . . 373 . THR HB . . . . 373 . THR HG2 . . . . . . . . . . 51947 8 . 12 . . . 236665913344.000000 . . . 35.284 . 1.758 . 1.766 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HB . . . . . . . . . . 51947 8 . 13 . . . 315798519808.000000 . . . 35.284 . 1.759 . 0.821 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG2 . . . . . . . . . . 51947 8 . 14 . . . 49964101632.000000 . . . 35.282 . 1.754 . 1.059 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG13 . . . . . . . . . . 51947 8 . 15 . . . 52261322752.000000 . . . 35.277 . 1.753 . 1.402 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG12 . . . . . . . . . . 51947 8 . 16 . . . 104122752.000000 . . . 18.436 . 1.072 . 4.124 . . . . . 373 . THR CG2 . . . . 373 . THR HG2 . . . . 373 . THR HB . . . . . . . . . . 51947 8 . 2 . . . 42286551040.000000 . . . 9.492 . 0.737 . 1.052 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG13 . . . . . . . . . . 51947 8 . 3 . . . 58622877696.000000 . . . 9.497 . 0.738 . 1.400 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG12 . . . . . . . . . . 51947 8 . 4 . . . 1926934036480.000000 . . . 14.186 . 0.812 . 0.819 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG2 . . . . . . . . . . 51947 8 . 5 . . . 134734462976.000000 . . . 13.976 . 0.813 . 1.766 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HB . . . . . . . . . . 51947 8 . 6 . . . 2371886252032.000000 . . . 16.330 . 1.281 . 1.290 . . . . . 389 . ALA CB . . . . 389 . ALA HB . . . . 389 . ALA HB . . . . . . . . . . 51947 8 . 7 . . . 1036930121728.000000 . . . 18.220 . 0.976 . 0.985 . . . . . 398 . THR CG2 . . . . 398 . THR HG2 . . . . 398 . THR HG2 . . . . . . . . . . 51947 8 . 8 . . . 250749173760.000000 . . . 17.794 . 0.825 . 2.015 . . . . . 386 . VAL CG1 . . . . 386 . VAL HG1 . . . . 386 . VAL HB . . . . . . . . . . 51947 8 . 9 . . . 161823899648.000000 . . . 66.664 . 4.146 . 1.086 . . . . . 367 . THR CB . . . . 367 . THR HB . . . . 367 . THR HG2 . . . . . . . . . . 51947 8 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_9 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_9 _Spectral_peak_list.Entry_ID 51947 _Spectral_peak_list.ID 9 _Spectral_peak_list.Name 'peak list 9 hcch-tocsy scrub' _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 8 _Spectral_peak_list.Experiment_name '3D HCCH-TOCSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 . . C 13 C* . 'not observed' 12000 Hz . . . . . . 51947 9 2 . . H 1 H* . 'not observed' 3000 Hz . . . . . . 51947 9 3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 9 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 3 $software_3 . . 51947 9 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 460148342784.000000 . height 51947 9 2 182461726720.000000 . height 51947 9 3 214153822208.000000 . height 51947 9 4 290253078528.000000 . height 51947 9 5 314023149568.000000 . height 51947 9 6 91802656768.000000 . height 51947 9 7 75509719040.000000 . height 51947 9 8 1215108743168.000000 . height 51947 9 9 465854464000.000000 . height 51947 9 10 108627951616.000000 . height 51947 9 11 479173738496.000000 . height 51947 9 12 285983604736.000000 . height 51947 9 13 563333169152.000000 . height 51947 9 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 9.540 . . . . . . . . . . . . . 51947 9 1 2 0.756 . . . . . . . . . . . . . 51947 9 1 3 0.750 . . . . . . . . . . . . . 51947 9 2 1 9.616 . . . . . . . . . . . . . 51947 9 2 2 0.743 . . . . . . . . . . . . . 51947 9 2 3 1.049 . . . . . . . . . . . . . 51947 9 3 1 9.590 . . . . . . . . . . . . . 51947 9 3 2 0.743 . . . . . . . . . . . . . 51947 9 3 3 1.402 . . . . . . . . . . . . . 51947 9 4 1 9.565 . . . . . . . . . . . . . 51947 9 4 2 0.742 . . . . . . . . . . . . . 51947 9 4 3 1.759 . . . . . . . . . . . . . 51947 9 5 1 14.099 . . . . . . . . . . . . . 51947 9 5 2 0.814 . . . . . . . . . . . . . 51947 9 5 3 1.763 . . . . . . . . . . . . . 51947 9 6 1 14.160 . . . . . . . . . . . . . 51947 9 6 2 0.816 . . . . . . . . . . . . . 51947 9 6 3 1.403 . . . . . . . . . . . . . 51947 9 7 1 14.019 . . . . . . . . . . . . . 51947 9 7 2 0.816 . . . . . . . . . . . . . 51947 9 7 3 1.049 . . . . . . . . . . . . . 51947 9 8 1 14.175 . . . . . . . . . . . . . 51947 9 8 2 0.816 . . . . . . . . . . . . . 51947 9 8 3 0.815 . . . . . . . . . . . . . 51947 9 9 1 17.707 . . . . . . . . . . . . . 51947 9 9 2 0.826 . . . . . . . . . . . . . 51947 9 9 3 2.011 . . . . . . . . . . . . . 51947 9 10 1 17.911 . . . . . . . . . . . . . 51947 9 10 2 0.816 . . . . . . . . . . . . . 51947 9 10 3 3.922 . . . . . . . . . . . . . 51947 9 11 1 17.847 . . . . . . . . . . . . . 51947 9 11 2 0.786 . . . . . . . . . . . . . 51947 9 11 3 1.958 . . . . . . . . . . . . . 51947 9 12 1 35.306 . . . . . . . . . . . . . 51947 9 12 2 1.755 . . . . . . . . . . . . . 51947 9 12 3 1.762 . . . . . . . . . . . . . 51947 9 13 1 35.310 . . . . . . . . . . . . . 51947 9 13 2 1.754 . . . . . . . . . . . . . 51947 9 13 3 0.816 . . . . . . . . . . . . . 51947 9 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 9.540 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9 1 2 . . . 0.756 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9 1 3 . . . 0.750 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9 2 1 . . . 9.616 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9 2 2 . . . 0.743 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9 2 3 . . . 1.049 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 9 3 1 . . . 9.590 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9 3 2 . . . 0.743 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9 3 3 . . . 1.402 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 9 4 1 . . . 9.565 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9 4 2 . . . 0.742 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9 4 3 . . . 1.759 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9 5 1 . . . 14.099 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9 5 2 . . . 0.814 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9 5 3 . . . 1.763 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9 6 1 . . . 14.160 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9 6 2 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9 6 3 . . . 1.403 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 9 7 1 . . . 14.019 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9 7 2 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9 7 3 . . . 1.049 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 9 8 1 . . . 14.175 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9 8 2 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9 8 3 . . . 0.815 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9 9 1 . . . 17.707 . . . . . . 386 VAL CG1 . . . . . . . . . . . . 51947 9 9 2 . . . 0.826 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 9 9 3 . . . 2.011 . . . . . . 386 VAL HB . . . . . . . . . . . . 51947 9 10 1 . . . 17.911 . . . . . . 386 VAL CG1 . . . . . . . . . . . . 51947 9 10 2 . . . 0.816 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 9 10 3 . . . 3.922 . . . . . . 386 VAL HA . . . . . . . . . . . . 51947 9 11 1 . . . 17.847 . . . . . . 369 VAL CG1 . . . . . . . . . . . . 51947 9 11 2 . . . 0.786 . . . . . . 369 VAL HG1 . . . . . . . . . . . . 51947 9 11 3 . . . 1.958 . . . . . . 369 VAL HB . . . . . . . . . . . . 51947 9 12 1 . . . 35.306 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 9 12 2 . . . 1.755 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9 12 3 . . . 1.762 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9 13 1 . . . 35.310 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 9 13 2 . . . 1.754 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9 13 3 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9 stop_ loop_ _Peak_row_format.Index_ID _Peak_row_format.ID _Peak_row_format.Peak_ID _Peak_row_format.Volume _Peak_row_format.Volume_uncertainty _Peak_row_format.Height _Peak_row_format.Height_uncertainty _Peak_row_format.Figure_of_merit _Peak_row_format.Restraint _Peak_row_format.Position_1 _Peak_row_format.Position_uncertainty_1 _Peak_row_format.Position_2 _Peak_row_format.Position_uncertainty_2 _Peak_row_format.Position_3 _Peak_row_format.Position_uncertainty_3 _Peak_row_format.Position_4 _Peak_row_format.Position_uncertainty_4 _Peak_row_format.Entity_assembly_ID_1 _Peak_row_format.Entity_ID_1 _Peak_row_format.Comp_index_ID_1 _Peak_row_format.Seq_ID_1 _Peak_row_format.Comp_ID_1 _Peak_row_format.Atom_ID_1 _Peak_row_format.Ambiguity_code_1 _Peak_row_format.Ambiguity_set_ID_1 _Peak_row_format.Entity_assembly_ID_2 _Peak_row_format.Entity_ID_2 _Peak_row_format.Comp_index_ID_2 _Peak_row_format.Seq_ID_2 _Peak_row_format.Comp_ID_2 _Peak_row_format.Atom_ID_2 _Peak_row_format.Ambiguity_code_2 _Peak_row_format.Ambiguity_set_ID_2 _Peak_row_format.Entity_assembly_ID_3 _Peak_row_format.Entity_ID_3 _Peak_row_format.Comp_index_ID_3 _Peak_row_format.Seq_ID_3 _Peak_row_format.Comp_ID_3 _Peak_row_format.Atom_ID_3 _Peak_row_format.Ambiguity_code_3 _Peak_row_format.Ambiguity_set_ID_3 _Peak_row_format.Entity_assembly_ID_4 _Peak_row_format.Entity_ID_4 _Peak_row_format.Comp_index_ID_4 _Peak_row_format.Seq_ID_4 _Peak_row_format.Comp_ID_4 _Peak_row_format.Atom_ID_4 _Peak_row_format.Ambiguity_code_4 _Peak_row_format.Ambiguity_set_ID_4 _Peak_row_format.Entry_ID _Peak_row_format.Spectral_peak_list_ID . 1 . . . 460148342784.000000 . . . 9.540 . 0.756 . 0.750 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HD1 . . . . . . . . . . 51947 9 . 10 . . . 108627951616.000000 . . . 17.911 . 0.816 . 3.922 . . . . . 386 . VAL CG1 . . . . 386 . VAL HG1 . . . . 386 . VAL HA . . . . . . . . . . 51947 9 . 11 . . . 479173738496.000000 . . . 17.847 . 0.786 . 1.958 . . . . . 369 . VAL CG1 . . . . 369 . VAL HG1 . . . . 369 . VAL HB . . . . . . . . . . 51947 9 . 12 . . . 285983604736.000000 . . . 35.306 . 1.755 . 1.762 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HB . . . . . . . . . . 51947 9 . 13 . . . 563333169152.000000 . . . 35.310 . 1.754 . 0.816 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG2 . . . . . . . . . . 51947 9 . 2 . . . 182461726720.000000 . . . 9.616 . 0.743 . 1.049 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG13 . . . . . . . . . . 51947 9 . 3 . . . 214153822208.000000 . . . 9.590 . 0.743 . 1.402 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG12 . . . . . . . . . . 51947 9 . 4 . . . 290253078528.000000 . . . 9.565 . 0.742 . 1.759 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HB . . . . . . . . . . 51947 9 . 5 . . . 314023149568.000000 . . . 14.099 . 0.814 . 1.763 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HB . . . . . . . . . . 51947 9 . 6 . . . 91802656768.000000 . . . 14.160 . 0.816 . 1.403 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG12 . . . . . . . . . . 51947 9 . 7 . . . 75509719040.000000 . . . 14.019 . 0.816 . 1.049 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG13 . . . . . . . . . . 51947 9 . 8 . . . 1215108743168.000000 . . . 14.175 . 0.816 . 0.815 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG2 . . . . . . . . . . 51947 9 . 9 . . . 465854464000.000000 . . . 17.707 . 0.826 . 2.011 . . . . . 386 . VAL CG1 . . . . 386 . VAL HG1 . . . . 386 . VAL HB . . . . . . . . . . 51947 9 stop_ save_