################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51776 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CTADN assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51776 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51776 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 LEU H H 1 8.5300 0.0000 . 1 . . . . . 341 LEU HN . 51776 1 2 . 1 . 1 1 1 LEU N N 15 122.8210 0.0000 . 1 . . . . . 341 LEU N . 51776 1 3 . 1 . 1 2 2 GLY H H 1 8.4450 0.0000 . 1 . . . . . 342 GLY HN . 51776 1 4 . 1 . 1 2 2 GLY N N 15 110.7110 0.0000 . 1 . . . . . 342 GLY N . 51776 1 5 . 1 . 1 3 3 SER H H 1 8.2980 0.0000 . 1 . . . . . 343 SER HN . 51776 1 6 . 1 . 1 3 3 SER N N 15 116.3710 0.0000 . 1 . . . . . 343 SER N . 51776 1 7 . 1 . 1 4 4 GLY H H 1 8.5260 0.0000 . 1 . . . . . 344 GLY HN . 51776 1 8 . 1 . 1 4 4 GLY N N 15 111.6870 0.0000 . 1 . . . . . 344 GLY N . 51776 1 9 . 1 . 1 5 5 GLU H H 1 8.1710 0.0000 . 1 . . . . . 345 GLU HN . 51776 1 10 . 1 . 1 5 5 GLU N N 15 120.9250 0.0000 . 1 . . . . . 345 GLU N . 51776 1 11 . 1 . 1 6 6 ALA H H 1 8.3360 0.0000 . 1 . . . . . 346 ALA HN . 51776 1 12 . 1 . 1 6 6 ALA N N 15 125.6680 0.0000 . 1 . . . . . 346 ALA N . 51776 1 13 . 1 . 1 7 7 ILE H H 1 8.1460 0.0000 . 1 . . . . . 347 ILE HN . 51776 1 14 . 1 . 1 7 7 ILE N N 15 121.2150 0.0000 . 1 . . . . . 347 ILE N . 51776 1 15 . 1 . 1 8 8 GLU H H 1 8.5060 0.0000 . 1 . . . . . 348 GLU HN . 51776 1 16 . 1 . 1 8 8 GLU N N 15 125.6400 0.0000 . 1 . . . . . 348 GLU N . 51776 1 17 . 1 . 1 9 9 ASP H H 1 8.3690 0.0000 . 1 . . . . . 349 ASP HN . 51776 1 18 . 1 . 1 9 9 ASP N N 15 122.3820 0.0000 . 1 . . . . . 349 ASP N . 51776 1 19 . 1 . 1 10 10 ASP H H 1 8.3410 0.0000 . 1 . . . . . 350 ASP HN . 51776 1 20 . 1 . 1 10 10 ASP N N 15 121.5360 0.0000 . 1 . . . . . 350 ASP N . 51776 1 21 . 1 . 1 11 11 ASP H H 1 8.3250 0.0000 . 1 . . . . . 351 ASP HN . 51776 1 22 . 1 . 1 11 11 ASP N N 15 121.3530 0.0000 . 1 . . . . . 351 ASP N . 51776 1 23 . 1 . 1 12 12 ASP H H 1 8.2860 0.0000 . 1 . . . . . 352 ASP HN . 51776 1 24 . 1 . 1 12 12 ASP N N 15 121.1120 0.0000 . 1 . . . . . 352 ASP N . 51776 1 25 . 1 . 1 13 13 ASP H H 1 8.2280 0.0000 . 1 . . . . . 353 ASP HN . 51776 1 26 . 1 . 1 13 13 ASP N N 15 120.7930 0.0000 . 1 . . . . . 353 ASP N . 51776 1 27 . 1 . 1 14 14 TYR H H 1 8.0300 0.0000 . 1 . . . . . 354 TYR HN . 51776 1 28 . 1 . 1 14 14 TYR N N 15 120.9790 0.0000 . 1 . . . . . 354 TYR N . 51776 1 29 . 1 . 1 15 15 ASP H H 1 8.2540 0.0000 . 1 . . . . . 355 ASP HN . 51776 1 30 . 1 . 1 15 15 ASP N N 15 123.2200 0.0000 . 1 . . . . . 355 ASP N . 51776 1 31 . 1 . 1 16 16 GLU H H 1 8.3250 0.0000 . 1 . . . . . 356 GLU HN . 51776 1 32 . 1 . 1 16 16 GLU N N 15 122.3060 0.0000 . 1 . . . . . 356 GLU N . 51776 1 33 . 1 . 1 17 17 GLU H H 1 8.4300 0.0000 . 1 . . . . . 357 GLU HN . 51776 1 34 . 1 . 1 17 17 GLU N N 15 121.5480 0.0000 . 1 . . . . . 357 GLU N . 51776 1 35 . 1 . 1 18 18 GLY H H 1 8.3320 0.0000 . 1 . . . . . 358 GLY HN . 51776 1 36 . 1 . 1 18 18 GLY N N 15 110.0150 0.0000 . 1 . . . . . 358 GLY N . 51776 1 37 . 1 . 1 19 19 GLU H H 1 8.2460 0.0000 . 1 . . . . . 359 GLU HN . 51776 1 38 . 1 . 1 19 19 GLU N N 15 120.8430 0.0000 . 1 . . . . . 359 GLU N . 51776 1 39 . 1 . 1 20 20 GLU H H 1 8.5270 0.0000 . 1 . . . . . 360 GLU HN . 51776 1 40 . 1 . 1 20 20 GLU N N 15 122.2830 0.0000 . 1 . . . . . 360 GLU N . 51776 1 41 . 1 . 1 21 21 ALA H H 1 8.3000 0.0000 . 1 . . . . . 361 ALA HN . 51776 1 42 . 1 . 1 21 21 ALA N N 15 125.4080 0.0000 . 1 . . . . . 361 ALA N . 51776 1 43 . 1 . 1 22 22 ASP H H 1 8.3060 0.0000 . 1 . . . . . 362 ASP HN . 51776 1 44 . 1 . 1 22 22 ASP N N 15 120.4280 0.0000 . 1 . . . . . 362 ASP N . 51776 1 45 . 1 . 1 23 23 GLU H H 1 8.3510 0.0000 . 1 . . . . . 363 GLU HN . 51776 1 46 . 1 . 1 23 23 GLU N N 15 121.5530 0.0000 . 1 . . . . . 363 GLU N . 51776 1 47 . 1 . 1 24 24 GLU H H 1 8.4130 0.0000 . 1 . . . . . 364 GLU HN . 51776 1 48 . 1 . 1 24 24 GLU N N 15 122.1870 0.0000 . 1 . . . . . 364 GLU N . 51776 1 49 . 1 . 1 25 25 GLY H H 1 8.0260 0.0000 . 1 . . . . . 365 GLY HN . 51776 1 50 . 1 . 1 25 25 GLY N N 15 116.3720 0.0000 . 1 . . . . . 365 GLY N . 51776 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51776 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'R77E assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N TROSY' . . . 51776 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51776 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 3 3 MET H H 1 8.2900 0.0000 . 1 . . . . . 1 MET HN . 51776 2 2 . 2 . 2 3 3 MET N N 15 120.5880 0.0000 . 1 . . . . . 1 MET N . 51776 2 3 . 2 . 2 4 4 SER H H 1 8.4180 0.0000 . 1 . . . . . 2 SER HN . 51776 2 4 . 2 . 2 4 4 SER N N 15 117.4910 0.0000 . 1 . . . . . 2 SER N . 51776 2 5 . 2 . 2 5 5 GLY H H 1 8.4430 0.0000 . 1 . . . . . 3 GLY HN . 51776 2 6 . 2 . 2 5 5 GLY N N 15 111.2740 0.0000 . 1 . . . . . 3 GLY N . 51776 2 7 . 2 . 2 6 6 ARG H H 1 8.1900 0.0000 . 1 . . . . . 4 ARG HN . 51776 2 8 . 2 . 2 6 6 ARG N N 15 120.8340 0.0000 . 1 . . . . . 4 ARG N . 51776 2 9 . 2 . 2 7 7 GLY H H 1 8.4620 0.0000 . 1 . . . . . 5 GLY HN . 51776 2 10 . 2 . 2 7 7 GLY N N 15 110.2490 0.0000 . 1 . . . . . 5 GLY N . 51776 2 11 . 2 . 2 8 8 LYS H H 1 8.2420 0.0000 . 1 . . . . . 6 LYS HN . 51776 2 12 . 2 . 2 8 8 LYS N N 15 121.4790 0.0000 . 1 . . . . . 6 LYS N . 51776 2 13 . 2 . 2 9 9 GLN H H 1 8.5050 0.0000 . 1 . . . . . 7 GLN HN . 51776 2 14 . 2 . 2 9 9 GLN N N 15 121.7700 0.0000 . 1 . . . . . 7 GLN N . 51776 2 15 . 2 . 2 10 10 GLY H H 1 8.4360 0.0000 . 1 . . . . . 8 GLY HN . 51776 2 16 . 2 . 2 10 10 GLY N N 15 110.6210 0.0000 . 1 . . . . . 8 GLY N . 51776 2 17 . 2 . 2 11 11 GLY H H 1 8.2840 0.0000 . 1 . . . . . 9 GLY HN . 51776 2 18 . 2 . 2 11 11 GLY N N 15 109.2760 0.0000 . 1 . . . . . 9 GLY N . 51776 2 19 . 2 . 2 12 12 LYS H H 1 8.2060 0.0000 . 1 . . . . . 10 LYS HN . 51776 2 20 . 2 . 2 12 12 LYS N N 15 121.5530 0.0000 . 1 . . . . . 10 LYS N . 51776 2 21 . 2 . 2 13 13 ALA H H 1 8.3060 0.0000 . 1 . . . . . 11 ALA HN . 51776 2 22 . 2 . 2 13 13 ALA N N 15 125.4930 0.0000 . 1 . . . . . 11 ALA N . 51776 2 23 . 2 . 2 14 14 ARG H H 1 8.2610 0.0000 . 1 . . . . . 12 ARG HN . 51776 2 24 . 2 . 2 14 14 ARG N N 15 121.0610 0.0000 . 1 . . . . . 12 ARG N . 51776 2 25 . 2 . 2 15 15 ALA H H 1 8.2780 0.0000 . 1 . . . . . 13 ALA HN . 51776 2 26 . 2 . 2 15 15 ALA N N 15 125.7020 0.0000 . 1 . . . . . 13 ALA N . 51776 2 27 . 2 . 2 16 16 LYS H H 1 8.2760 0.0000 . 1 . . . . . 14 LYS HN . 51776 2 28 . 2 . 2 16 16 LYS N N 15 121.2560 0.0000 . 1 . . . . . 14 LYS N . 51776 2 29 . 2 . 2 17 17 ALA H H 1 8.2980 0.0000 . 1 . . . . . 15 ALA HN . 51776 2 30 . 2 . 2 17 17 ALA N N 15 125.5620 0.0000 . 1 . . . . . 15 ALA N . 51776 2 31 . 2 . 2 18 18 LYS H H 1 8.3560 0.0000 . 1 . . . . . 16 LYS HN . 51776 2 32 . 2 . 2 18 18 LYS N N 15 121.1010 0.0000 . 1 . . . . . 16 LYS N . 51776 2 33 . 2 . 2 19 19 THR H H 1 8.2450 0.0000 . 1 . . . . . 17 THR HN . 51776 2 34 . 2 . 2 19 19 THR N N 15 113.9770 0.0000 . 1 . . . . . 17 THR N . 51776 2 35 . 2 . 2 20 20 ARG H H 1 8.4810 0.0000 . 1 . . . . . 18 ARG HN . 51776 2 36 . 2 . 2 20 20 ARG N N 15 123.9950 0.0000 . 1 . . . . . 18 ARG N . 51776 2 37 . 2 . 2 21 21 SER H H 1 8.6030 0.0000 . 1 . . . . . 19 SER HN . 51776 2 38 . 2 . 2 21 21 SER N N 15 115.2320 0.0000 . 1 . . . . . 19 SER N . 51776 2 39 . 2 . 2 22 22 SER H H 1 8.3090 0.0000 . 1 . . . . . 20 SER HN . 51776 2 40 . 2 . 2 22 22 SER N N 15 119.1390 0.0000 . 1 . . . . . 20 SER N . 51776 2 41 . 2 . 2 23 23 ARG H H 1 8.3090 0.0000 . 1 . . . . . 21 ARG HN . 51776 2 42 . 2 . 2 23 23 ARG N N 15 123.7490 0.0000 . 1 . . . . . 21 ARG N . 51776 2 43 . 2 . 2 25 25 GLY H H 1 8.0080 0.0000 . 1 . . . . . 23 GLY HN . 51776 2 44 . 2 . 2 25 25 GLY N N 15 107.7710 0.0000 . 1 . . . . . 23 GLY N . 51776 2 45 . 2 . 2 26 26 LEU H H 1 8.0470 0.0000 . 1 . . . . . 24 LEU HN . 51776 2 46 . 2 . 2 26 26 LEU N N 15 119.2810 0.0000 . 1 . . . . . 24 LEU N . 51776 2 47 . 2 . 2 30 30 VAL H H 1 8.1580 0.0000 . 1 . . . . . 28 VAL HN . 51776 2 48 . 2 . 2 30 30 VAL N N 15 128.1680 0.0000 . 1 . . . . . 28 VAL N . 51776 2 49 . 2 . 2 31 31 GLY H H 1 9.0410 0.0000 . 1 . . . . . 29 GLY HN . 51776 2 50 . 2 . 2 31 31 GLY N N 15 108.8280 0.0000 . 1 . . . . . 29 GLY N . 51776 2 51 . 2 . 2 32 32 ARG H H 1 7.6010 0.0000 . 1 . . . . . 30 ARG HN . 51776 2 52 . 2 . 2 32 32 ARG N N 15 122.0280 0.0000 . 1 . . . . . 30 ARG N . 51776 2 53 . 2 . 2 33 33 VAL H H 1 7.7440 0.0000 . 1 . . . . . 31 VAL HN . 51776 2 54 . 2 . 2 33 33 VAL N N 15 119.0470 0.0000 . 1 . . . . . 31 VAL N . 51776 2 55 . 2 . 2 34 34 HIS H H 1 8.6730 0.0000 . 1 . . . . . 32 HIS HN . 51776 2 56 . 2 . 2 34 34 HIS N N 15 120.4850 0.0000 . 1 . . . . . 32 HIS N . 51776 2 57 . 2 . 2 36 36 LEU H H 1 8.3300 0.0000 . 1 . . . . . 34 LEU HN . 51776 2 58 . 2 . 2 36 36 LEU N N 15 120.0360 0.0000 . 1 . . . . . 34 LEU N . 51776 2 59 . 2 . 2 37 37 LEU H H 1 8.4570 0.0000 . 1 . . . . . 35 LEU HN . 51776 2 60 . 2 . 2 37 37 LEU N N 15 120.2840 0.0000 . 1 . . . . . 35 LEU N . 51776 2 61 . 2 . 2 38 38 ARG H H 1 8.0790 0.0000 . 1 . . . . . 36 ARG HN . 51776 2 62 . 2 . 2 38 38 ARG N N 15 118.5080 0.0000 . 1 . . . . . 36 ARG N . 51776 2 63 . 2 . 2 40 40 GLY H H 1 7.5850 0.0000 . 1 . . . . . 38 GLY HN . 51776 2 64 . 2 . 2 40 40 GLY N N 15 104.4200 0.0000 . 1 . . . . . 38 GLY N . 51776 2 65 . 2 . 2 41 41 ASN H H 1 7.9010 0.0000 . 1 . . . . . 39 ASN HN . 51776 2 66 . 2 . 2 41 41 ASN N N 15 115.6210 0.0000 . 1 . . . . . 39 ASN N . 51776 2 67 . 2 . 2 42 42 TYR H H 1 7.8140 0.0000 . 1 . . . . . 40 TYR HN . 51776 2 68 . 2 . 2 42 42 TYR N N 15 117.2680 0.0000 . 1 . . . . . 40 TYR N . 51776 2 69 . 2 . 2 43 43 SER H H 1 8.0860 0.0000 . 1 . . . . . 41 SER HN . 51776 2 70 . 2 . 2 43 43 SER N N 15 112.0520 0.0000 . 1 . . . . . 41 SER N . 51776 2 71 . 2 . 2 44 44 GLU H H 1 8.5810 0.0000 . 1 . . . . . 42 GLU HN . 51776 2 72 . 2 . 2 44 44 GLU N N 15 122.0940 0.0000 . 1 . . . . . 42 GLU N . 51776 2 73 . 2 . 2 45 45 ARG H H 1 8.1910 0.0000 . 1 . . . . . 43 ARG HN . 51776 2 74 . 2 . 2 45 45 ARG N N 15 116.2520 0.0000 . 1 . . . . . 43 ARG N . 51776 2 75 . 2 . 2 46 46 VAL H H 1 9.0360 0.0000 . 1 . . . . . 44 VAL HN . 51776 2 76 . 2 . 2 46 46 VAL N N 15 125.0810 0.0000 . 1 . . . . . 44 VAL N . 51776 2 77 . 2 . 2 47 47 GLY H H 1 9.0930 0.0000 . 1 . . . . . 45 GLY HN . 51776 2 78 . 2 . 2 47 47 GLY N N 15 116.1070 0.0000 . 1 . . . . . 45 GLY N . 51776 2 79 . 2 . 2 48 48 ALA H H 1 8.5870 0.0000 . 1 . . . . . 46 ALA HN . 51776 2 80 . 2 . 2 48 48 ALA N N 15 122.9780 0.0000 . 1 . . . . . 46 ALA N . 51776 2 81 . 2 . 2 49 49 GLY H H 1 8.6440 0.0000 . 1 . . . . . 47 GLY HN . 51776 2 82 . 2 . 2 49 49 GLY N N 15 104.5080 0.0000 . 1 . . . . . 47 GLY N . 51776 2 83 . 2 . 2 50 50 ALA H H 1 7.4920 0.0000 . 1 . . . . . 48 ALA HN . 51776 2 84 . 2 . 2 50 50 ALA N N 15 124.4680 0.0000 . 1 . . . . . 48 ALA N . 51776 2 85 . 2 . 2 52 52 VAL H H 1 6.1820 0.0000 . 1 . . . . . 50 VAL HN . 51776 2 86 . 2 . 2 52 52 VAL N N 15 118.5460 0.0000 . 1 . . . . . 50 VAL N . 51776 2 87 . 2 . 2 53 53 TYR H H 1 7.9470 0.0000 . 1 . . . . . 51 TYR HN . 51776 2 88 . 2 . 2 53 53 TYR N N 15 120.3820 0.0000 . 1 . . . . . 51 TYR N . 51776 2 89 . 2 . 2 54 54 LEU H H 1 8.3240 0.0000 . 1 . . . . . 52 LEU HN . 51776 2 90 . 2 . 2 54 54 LEU N N 15 115.7550 0.0000 . 1 . . . . . 52 LEU N . 51776 2 91 . 2 . 2 55 55 ALA H H 1 8.4180 0.0000 . 1 . . . . . 53 ALA HN . 51776 2 92 . 2 . 2 55 55 ALA N N 15 120.9310 0.0000 . 1 . . . . . 53 ALA N . 51776 2 93 . 2 . 2 56 56 ALA H H 1 7.8310 0.0000 . 1 . . . . . 54 ALA HN . 51776 2 94 . 2 . 2 56 56 ALA N N 15 118.6800 0.0000 . 1 . . . . . 54 ALA N . 51776 2 95 . 2 . 2 57 57 VAL H H 1 7.8940 0.0000 . 1 . . . . . 55 VAL HN . 51776 2 96 . 2 . 2 57 57 VAL N N 15 120.2180 0.0000 . 1 . . . . . 55 VAL N . 51776 2 97 . 2 . 2 58 58 LEU H H 1 8.3050 0.0000 . 1 . . . . . 56 LEU HN . 51776 2 98 . 2 . 2 58 58 LEU N N 15 118.4930 0.0000 . 1 . . . . . 56 LEU N . 51776 2 99 . 2 . 2 60 60 TYR H H 1 7.8910 0.0000 . 1 . . . . . 58 TYR HN . 51776 2 100 . 2 . 2 60 60 TYR N N 15 119.6240 0.0000 . 1 . . . . . 58 TYR N . 51776 2 101 . 2 . 2 61 61 LEU H H 1 8.0540 0.0000 . 1 . . . . . 59 LEU HN . 51776 2 102 . 2 . 2 61 61 LEU N N 15 117.7250 0.0000 . 1 . . . . . 59 LEU N . 51776 2 103 . 2 . 2 64 64 GLU H H 1 8.0490 0.0000 . 1 . . . . . 62 GLU HN . 51776 2 104 . 2 . 2 64 64 GLU N N 15 119.6810 0.0000 . 1 . . . . . 62 GLU N . 51776 2 105 . 2 . 2 65 65 ILE H H 1 8.0210 0.0000 . 1 . . . . . 63 ILE HN . 51776 2 106 . 2 . 2 65 65 ILE N N 15 117.9120 0.0000 . 1 . . . . . 63 ILE N . 51776 2 107 . 2 . 2 67 67 GLU H H 1 9.0300 0.0000 . 1 . . . . . 65 GLU HN . 51776 2 108 . 2 . 2 67 67 GLU N N 15 123.4120 0.0000 . 1 . . . . . 65 GLU N . 51776 2 109 . 2 . 2 68 68 LEU H H 1 7.6390 0.0000 . 1 . . . . . 66 LEU HN . 51776 2 110 . 2 . 2 68 68 LEU N N 15 119.5960 0.0000 . 1 . . . . . 66 LEU N . 51776 2 111 . 2 . 2 69 69 ALA H H 1 9.4640 0.0000 . 1 . . . . . 67 ALA HN . 51776 2 112 . 2 . 2 69 69 ALA N N 15 124.7820 0.0000 . 1 . . . . . 67 ALA N . 51776 2 113 . 2 . 2 70 70 GLY H H 1 8.8540 0.0000 . 1 . . . . . 68 GLY HN . 51776 2 114 . 2 . 2 70 70 GLY N N 15 105.6100 0.0000 . 1 . . . . . 68 GLY N . 51776 2 115 . 2 . 2 71 71 ASN H H 1 7.6160 0.0000 . 1 . . . . . 69 ASN HN . 51776 2 116 . 2 . 2 71 71 ASN N N 15 123.6820 0.0000 . 1 . . . . . 69 ASN N . 51776 2 117 . 2 . 2 72 72 ALA H H 1 7.4650 0.0000 . 1 . . . . . 70 ALA HN . 51776 2 118 . 2 . 2 72 72 ALA N N 15 123.3870 0.0000 . 1 . . . . . 70 ALA N . 51776 2 119 . 2 . 2 73 73 ALA H H 1 7.7300 0.0000 . 1 . . . . . 71 ALA HN . 51776 2 120 . 2 . 2 73 73 ALA N N 15 122.5460 0.0000 . 1 . . . . . 71 ALA N . 51776 2 121 . 2 . 2 74 74 ARG H H 1 7.7010 0.0000 . 1 . . . . . 72 ARG HN . 51776 2 122 . 2 . 2 74 74 ARG N N 15 119.5680 0.0000 . 1 . . . . . 72 ARG N . 51776 2 123 . 2 . 2 75 75 ASP H H 1 8.4820 0.0000 . 1 . . . . . 73 ASP HN . 51776 2 124 . 2 . 2 75 75 ASP N N 15 122.8360 0.0000 . 1 . . . . . 73 ASP N . 51776 2 125 . 2 . 2 76 76 ASN H H 1 7.3780 0.0000 . 1 . . . . . 74 ASN HN . 51776 2 126 . 2 . 2 76 76 ASN N N 15 117.2390 0.0000 . 1 . . . . . 74 ASN N . 51776 2 127 . 2 . 2 77 77 LYS H H 1 8.1110 0.0000 . 1 . . . . . 75 LYS HN . 51776 2 128 . 2 . 2 77 77 LYS N N 15 115.6590 0.0000 . 1 . . . . . 75 LYS N . 51776 2 129 . 2 . 2 78 78 LYS H H 1 8.1690 0.0000 . 1 . . . . . 76 LYS HN . 51776 2 130 . 2 . 2 78 78 LYS N N 15 117.3910 0.0000 . 1 . . . . . 76 LYS N . 51776 2 131 . 2 . 2 79 79 THR H H 1 8.5040 0.0000 . 1 . . . . . 77 THR HN . 51776 2 132 . 2 . 2 79 79 THR N N 15 110.0440 0.0000 . 1 . . . . . 77 THR N . 51776 2 133 . 2 . 2 80 80 GLU H H 1 7.1020 0.0000 . 1 . . . . . 78 GLU HN . 51776 2 134 . 2 . 2 80 80 GLU N N 15 120.5290 0.0000 . 1 . . . . . 78 GLU N . 51776 2 135 . 2 . 2 81 81 ILE H H 1 8.4660 0.0000 . 1 . . . . . 79 ILE HN . 51776 2 136 . 2 . 2 81 81 ILE N N 15 125.5500 0.0000 . 1 . . . . . 79 ILE N . 51776 2 137 . 2 . 2 82 82 ILE H H 1 8.9820 0.0000 . 1 . . . . . 80 ILE HN . 51776 2 138 . 2 . 2 82 82 ILE N N 15 125.0020 0.0000 . 1 . . . . . 80 ILE N . 51776 2 139 . 2 . 2 84 84 ARG H H 1 8.4310 0.0000 . 1 . . . . . 82 ARG HN . 51776 2 140 . 2 . 2 84 84 ARG N N 15 116.2590 0.0000 . 1 . . . . . 82 ARG N . 51776 2 141 . 2 . 2 85 85 HIS H H 1 7.3570 0.0000 . 1 . . . . . 83 HIS HN . 51776 2 142 . 2 . 2 85 85 HIS N N 15 118.1090 0.0000 . 1 . . . . . 83 HIS N . 51776 2 143 . 2 . 2 86 86 LEU H H 1 7.1330 0.0000 . 1 . . . . . 84 LEU HN . 51776 2 144 . 2 . 2 86 86 LEU N N 15 117.1600 0.0000 . 1 . . . . . 84 LEU N . 51776 2 145 . 2 . 2 87 87 GLN H H 1 8.0910 0.0000 . 1 . . . . . 85 GLN HN . 51776 2 146 . 2 . 2 87 87 GLN N N 15 116.8190 0.0000 . 1 . . . . . 85 GLN N . 51776 2 147 . 2 . 2 88 88 LEU H H 1 8.1550 0.0000 . 1 . . . . . 86 LEU HN . 51776 2 148 . 2 . 2 88 88 LEU N N 15 119.7590 0.0000 . 1 . . . . . 86 LEU N . 51776 2 149 . 2 . 2 89 89 ALA H H 1 7.7950 0.0000 . 1 . . . . . 87 ALA HN . 51776 2 150 . 2 . 2 89 89 ALA N N 15 120.0300 0.0000 . 1 . . . . . 87 ALA N . 51776 2 151 . 2 . 2 90 90 ILE H H 1 7.5960 0.0000 . 1 . . . . . 88 ILE HN . 51776 2 152 . 2 . 2 90 90 ILE N N 15 113.8980 0.0000 . 1 . . . . . 88 ILE N . 51776 2 153 . 2 . 2 91 91 ARG H H 1 7.8580 0.0000 . 1 . . . . . 89 ARG HN . 51776 2 154 . 2 . 2 91 91 ARG N N 15 114.9930 0.0000 . 1 . . . . . 89 ARG N . 51776 2 155 . 2 . 2 92 92 ASN H H 1 7.7070 0.0000 . 1 . . . . . 90 ASN HN . 51776 2 156 . 2 . 2 92 92 ASN N N 15 113.5880 0.0000 . 1 . . . . . 90 ASN N . 51776 2 157 . 2 . 2 93 93 ASP H H 1 7.3270 0.0000 . 1 . . . . . 91 ASP HN . 51776 2 158 . 2 . 2 93 93 ASP N N 15 122.6200 0.0000 . 1 . . . . . 91 ASP N . 51776 2 159 . 2 . 2 94 94 GLU H H 1 8.8610 0.0000 . 1 . . . . . 92 GLU HN . 51776 2 160 . 2 . 2 94 94 GLU N N 15 126.5590 0.0000 . 1 . . . . . 92 GLU N . 51776 2 161 . 2 . 2 95 95 GLU H H 1 8.1290 0.0000 . 1 . . . . . 93 GLU HN . 51776 2 162 . 2 . 2 95 95 GLU N N 15 117.8590 0.0000 . 1 . . . . . 93 GLU N . 51776 2 163 . 2 . 2 96 96 LEU H H 1 9.2230 0.0000 . 1 . . . . . 94 LEU HN . 51776 2 164 . 2 . 2 96 96 LEU N N 15 121.3420 0.0000 . 1 . . . . . 94 LEU N . 51776 2 165 . 2 . 2 97 97 ASN H H 1 9.0290 0.0000 . 1 . . . . . 95 ASN HN . 51776 2 166 . 2 . 2 97 97 ASN N N 15 119.4510 0.0000 . 1 . . . . . 95 ASN N . 51776 2 167 . 2 . 2 98 98 LYS H H 1 7.5980 0.0000 . 1 . . . . . 96 LYS HN . 51776 2 168 . 2 . 2 98 98 LYS N N 15 119.8380 0.0000 . 1 . . . . . 96 LYS N . 51776 2 169 . 2 . 2 99 99 LEU H H 1 7.8810 0.0000 . 1 . . . . . 97 LEU HN . 51776 2 170 . 2 . 2 99 99 LEU N N 15 119.2330 0.0000 . 1 . . . . . 97 LEU N . 51776 2 171 . 2 . 2 100 100 LEU H H 1 8.7010 0.0000 . 1 . . . . . 98 LEU HN . 51776 2 172 . 2 . 2 100 100 LEU N N 15 116.1090 0.0000 . 1 . . . . . 98 LEU N . 51776 2 173 . 2 . 2 101 101 GLY H H 1 8.0530 0.0000 . 1 . . . . . 99 GLY HN . 51776 2 174 . 2 . 2 101 101 GLY N N 15 110.0800 0.0000 . 1 . . . . . 99 GLY N . 51776 2 175 . 2 . 2 102 102 ARG H H 1 8.1710 0.0000 . 1 . . . . . 100 ARG HN . 51776 2 176 . 2 . 2 102 102 ARG N N 15 118.7960 0.0000 . 1 . . . . . 100 ARG N . 51776 2 177 . 2 . 2 103 103 VAL H H 1 7.8300 0.0000 . 1 . . . . . 101 VAL HN . 51776 2 178 . 2 . 2 103 103 VAL N N 15 121.2530 0.0000 . 1 . . . . . 101 VAL N . 51776 2 179 . 2 . 2 104 104 THR H H 1 8.3170 0.0000 . 1 . . . . . 102 THR HN . 51776 2 180 . 2 . 2 104 104 THR N N 15 120.0300 0.0000 . 1 . . . . . 102 THR N . 51776 2 181 . 2 . 2 105 105 ILE H H 1 8.2330 0.0000 . 1 . . . . . 103 ILE HN . 51776 2 182 . 2 . 2 105 105 ILE N N 15 124.0820 0.0000 . 1 . . . . . 103 ILE N . 51776 2 183 . 2 . 2 106 106 ALA H H 1 8.2530 0.0000 . 1 . . . . . 104 ALA HN . 51776 2 184 . 2 . 2 106 106 ALA N N 15 127.4760 0.0000 . 1 . . . . . 104 ALA N . 51776 2 185 . 2 . 2 107 107 GLN H H 1 8.3000 0.0000 . 1 . . . . . 105 GLN HN . 51776 2 186 . 2 . 2 107 107 GLN N N 15 119.7550 0.0000 . 1 . . . . . 105 GLN N . 51776 2 187 . 2 . 2 108 108 GLY H H 1 8.3680 0.0000 . 1 . . . . . 106 GLY HN . 51776 2 188 . 2 . 2 108 108 GLY N N 15 110.0930 0.0000 . 1 . . . . . 106 GLY N . 51776 2 189 . 2 . 2 109 109 GLY H H 1 8.2150 0.0000 . 1 . . . . . 107 GLY HN . 51776 2 190 . 2 . 2 109 109 GLY N N 15 109.1190 0.0000 . 1 . . . . . 107 GLY N . 51776 2 191 . 2 . 2 110 110 VAL H H 1 7.9670 0.0000 . 1 . . . . . 108 VAL HN . 51776 2 192 . 2 . 2 110 110 VAL N N 15 119.2920 0.0000 . 1 . . . . . 108 VAL N . 51776 2 193 . 2 . 2 111 111 LEU H H 1 8.3440 0.0000 . 1 . . . . . 109 LEU HN . 51776 2 194 . 2 . 2 111 111 LEU N N 15 127.5530 0.0000 . 1 . . . . . 109 LEU N . 51776 2 195 . 2 . 2 113 113 ASN H H 1 8.4300 0.0000 . 1 . . . . . 111 ASN HN . 51776 2 196 . 2 . 2 113 113 ASN N N 15 118.9760 0.0000 . 1 . . . . . 111 ASN N . 51776 2 197 . 2 . 2 114 114 ILE H H 1 8.0650 0.0000 . 1 . . . . . 112 ILE HN . 51776 2 198 . 2 . 2 114 114 ILE N N 15 121.5920 0.0000 . 1 . . . . . 112 ILE N . 51776 2 199 . 2 . 2 115 115 GLN H H 1 8.3570 0.0000 . 1 . . . . . 113 GLN HN . 51776 2 200 . 2 . 2 115 115 GLN N N 15 124.0530 0.0000 . 1 . . . . . 113 GLN N . 51776 2 201 . 2 . 2 116 116 ALA H H 1 8.2170 0.0000 . 1 . . . . . 114 ALA HN . 51776 2 202 . 2 . 2 116 116 ALA N N 15 125.7000 0.0000 . 1 . . . . . 114 ALA N . 51776 2 203 . 2 . 2 117 117 VAL H H 1 8.0020 0.0000 . 1 . . . . . 115 VAL HN . 51776 2 204 . 2 . 2 117 117 VAL N N 15 119.9500 0.0000 . 1 . . . . . 115 VAL N . 51776 2 205 . 2 . 2 118 118 LEU H H 1 8.2090 0.0000 . 1 . . . . . 116 LEU HN . 51776 2 206 . 2 . 2 118 118 LEU N N 15 126.2780 0.0000 . 1 . . . . . 116 LEU N . 51776 2 207 . 2 . 2 119 119 LEU H H 1 8.1700 0.0000 . 1 . . . . . 117 LEU HN . 51776 2 208 . 2 . 2 119 119 LEU N N 15 125.3090 0.0000 . 1 . . . . . 117 LEU N . 51776 2 209 . 2 . 2 121 121 LYS H H 1 8.3630 0.0000 . 1 . . . . . 119 LYS HN . 51776 2 210 . 2 . 2 121 121 LYS N N 15 122.5180 0.0000 . 1 . . . . . 119 LYS N . 51776 2 211 . 2 . 2 122 122 LYS H H 1 8.4190 0.0000 . 1 . . . . . 120 LYS HN . 51776 2 212 . 2 . 2 122 122 LYS N N 15 123.8700 0.0000 . 1 . . . . . 120 LYS N . 51776 2 213 . 2 . 2 123 123 THR H H 1 8.2140 0.0000 . 1 . . . . . 121 THR HN . 51776 2 214 . 2 . 2 123 123 THR N N 15 116.8570 0.0000 . 1 . . . . . 121 THR N . 51776 2 215 . 2 . 2 124 124 GLU H H 1 8.4490 0.0000 . 1 . . . . . 122 GLU HN . 51776 2 216 . 2 . 2 124 124 GLU N N 15 124.2620 0.0000 . 1 . . . . . 122 GLU N . 51776 2 217 . 2 . 2 125 125 SER H H 1 8.3720 0.0000 . 1 . . . . . 123 SER HN . 51776 2 218 . 2 . 2 125 125 SER N N 15 117.7970 0.0000 . 1 . . . . . 123 SER N . 51776 2 219 . 2 . 2 126 126 HIS H H 1 8.4730 0.0000 . 1 . . . . . 124 HIS HN . 51776 2 220 . 2 . 2 126 126 HIS N N 15 121.2590 0.0000 . 1 . . . . . 124 HIS N . 51776 2 221 . 2 . 2 128 128 LYS H H 1 8.3710 0.0000 . 1 . . . . . 126 LYS HN . 51776 2 222 . 2 . 2 128 128 LYS N N 15 124.1420 0.0000 . 1 . . . . . 126 LYS N . 51776 2 223 . 2 . 2 129 129 ALA H H 1 8.3920 0.0000 . 1 . . . . . 127 ALA HN . 51776 2 224 . 2 . 2 129 129 ALA N N 15 126.5160 0.0000 . 1 . . . . . 127 ALA N . 51776 2 225 . 2 . 2 130 130 LYS H H 1 8.3470 0.0000 . 1 . . . . . 128 LYS HN . 51776 2 226 . 2 . 2 130 130 LYS N N 15 121.5830 0.0000 . 1 . . . . . 128 LYS N . 51776 2 227 . 2 . 2 131 131 GLY H H 1 8.4120 0.0000 . 1 . . . . . 129 GLY HN . 51776 2 228 . 2 . 2 131 131 GLY N N 15 111.4870 0.0000 . 1 . . . . . 129 GLY N . 51776 2 229 . 2 . 2 132 132 LYS H H 1 7.8190 0.0000 . 1 . . . . . 130 LYS HN . 51776 2 230 . 2 . 2 132 132 LYS N N 15 126.3730 0.0000 . 1 . . . . . 130 LYS N . 51776 2 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51776 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'H2B assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N TROSY' . . . 51776 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51776 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 3 . 3 4 4 GLY H H 1 8.5660 0.0000 . 1 . . . . . -1 GLY HN . 51776 3 2 . 3 . 3 4 4 GLY N N 15 110.3560 0.0000 . 1 . . . . . -1 GLY N . 51776 3 3 . 3 . 3 5 5 MET H H 1 8.1300 0.0000 . 1 . . . . . 0 MET HN . 51776 3 4 . 3 . 3 5 5 MET N N 15 121.4960 0.0000 . 1 . . . . . 0 MET N . 51776 3 5 . 3 . 3 7 7 GLU H H 1 8.4630 0.0000 . 1 . . . . . 2 GLU HN . 51776 3 6 . 3 . 3 7 7 GLU N N 15 123.0990 0.0000 . 1 . . . . . 2 GLU N . 51776 3 7 . 3 . 3 9 9 ALA H H 1 8.3850 0.0000 . 1 . . . . . 4 ALA HN . 51776 3 8 . 3 . 3 9 9 ALA N N 15 124.5020 0.0000 . 1 . . . . . 4 ALA N . 51776 3 9 . 3 . 3 10 10 LYS H H 1 8.3080 0.0000 . 1 . . . . . 5 LYS HN . 51776 3 10 . 3 . 3 10 10 LYS N N 15 121.1890 0.0000 . 1 . . . . . 5 LYS N . 51776 3 11 . 3 . 3 11 11 SER H H 1 8.2320 0.0000 . 1 . . . . . 6 SER HN . 51776 3 12 . 3 . 3 11 11 SER N N 15 117.3840 0.0000 . 1 . . . . . 6 SER N . 51776 3 13 . 3 . 3 12 12 ALA H H 1 8.2940 0.0000 . 1 . . . . . 7 ALA HN . 51776 3 14 . 3 . 3 12 12 ALA N N 15 127.4850 0.0000 . 1 . . . . . 7 ALA N . 51776 3 15 . 3 . 3 14 14 ALA H H 1 8.3780 0.0000 . 1 . . . . . 9 ALA HN . 51776 3 16 . 3 . 3 14 14 ALA N N 15 126.1790 0.0000 . 1 . . . . . 9 ALA N . 51776 3 17 . 3 . 3 16 16 LYS H H 1 8.4170 0.0000 . 1 . . . . . 11 LYS HN . 51776 3 18 . 3 . 3 16 16 LYS N N 15 122.4930 0.0000 . 1 . . . . . 11 LYS N . 51776 3 19 . 3 . 3 17 17 LYS H H 1 8.4260 0.0000 . 1 . . . . . 12 LYS HN . 51776 3 20 . 3 . 3 17 17 LYS N N 15 123.7720 0.0000 . 1 . . . . . 12 LYS N . 51776 3 21 . 3 . 3 18 18 GLY H H 1 8.4830 0.0000 . 1 . . . . . 13 GLY HN . 51776 3 22 . 3 . 3 18 18 GLY N N 15 111.1580 0.0000 . 1 . . . . . 13 GLY N . 51776 3 23 . 3 . 3 19 19 SER H H 1 8.1890 0.0000 . 1 . . . . . 14 SER HN . 51776 3 24 . 3 . 3 19 19 SER N N 15 116.1480 0.0000 . 1 . . . . . 14 SER N . 51776 3 25 . 3 . 3 20 20 LYS H H 1 8.4200 0.0000 . 1 . . . . . 15 LYS HN . 51776 3 26 . 3 . 3 20 20 LYS N N 15 123.7610 0.0000 . 1 . . . . . 15 LYS N . 51776 3 27 . 3 . 3 21 21 LYS H H 1 8.2920 0.0000 . 1 . . . . . 16 LYS HN . 51776 3 28 . 3 . 3 21 21 LYS N N 15 123.4450 0.0000 . 1 . . . . . 16 LYS N . 51776 3 29 . 3 . 3 22 22 ALA H H 1 8.3160 0.0000 . 1 . . . . . 17 ALA HN . 51776 3 30 . 3 . 3 22 22 ALA N N 15 126.2770 0.0000 . 1 . . . . . 17 ALA N . 51776 3 31 . 3 . 3 23 23 VAL H H 1 8.1750 0.0000 . 1 . . . . . 18 VAL HN . 51776 3 32 . 3 . 3 23 23 VAL N N 15 120.4960 0.0000 . 1 . . . . . 18 VAL N . 51776 3 33 . 3 . 3 24 24 THR H H 1 8.2320 0.0000 . 1 . . . . . 19 THR HN . 51776 3 34 . 3 . 3 24 24 THR N N 15 119.0790 0.0000 . 1 . . . . . 19 THR N . 51776 3 35 . 3 . 3 25 25 LYS H H 1 8.3660 0.0000 . 1 . . . . . 20 LYS HN . 51776 3 36 . 3 . 3 25 25 LYS N N 15 124.5430 0.0000 . 1 . . . . . 20 LYS N . 51776 3 37 . 3 . 3 26 26 ALA H H 1 8.3000 0.0000 . 1 . . . . . 21 ALA HN . 51776 3 38 . 3 . 3 26 26 ALA N N 15 125.4740 0.0000 . 1 . . . . . 21 ALA N . 51776 3 39 . 3 . 3 27 27 GLN H H 1 8.2990 0.0000 . 1 . . . . . 22 GLN HN . 51776 3 40 . 3 . 3 27 27 GLN N N 15 120.3230 0.0000 . 1 . . . . . 22 GLN N . 51776 3 41 . 3 . 3 28 28 LYS H H 1 8.3580 0.0000 . 1 . . . . . 23 LYS HN . 51776 3 42 . 3 . 3 28 28 LYS N N 15 123.5870 0.0000 . 1 . . . . . 23 LYS N . 51776 3 43 . 3 . 3 29 29 LYS H H 1 8.4110 0.0000 . 1 . . . . . 24 LYS HN . 51776 3 44 . 3 . 3 29 29 LYS N N 15 123.8690 0.0000 . 1 . . . . . 24 LYS N . 51776 3 45 . 3 . 3 30 30 ASP H H 1 8.3230 0.0000 . 1 . . . . . 25 ASP HN . 51776 3 46 . 3 . 3 30 30 ASP N N 15 121.7680 0.0000 . 1 . . . . . 25 ASP N . 51776 3 47 . 3 . 3 31 31 GLY H H 1 8.3120 0.0000 . 1 . . . . . 26 GLY HN . 51776 3 48 . 3 . 3 31 31 GLY N N 15 109.7150 0.0000 . 1 . . . . . 26 GLY N . 51776 3 49 . 3 . 3 32 32 LYS H H 1 8.1630 0.0000 . 1 . . . . . 27 LYS HN . 51776 3 50 . 3 . 3 32 32 LYS N N 15 121.2460 0.0000 . 1 . . . . . 27 LYS N . 51776 3 51 . 3 . 3 33 33 LYS H H 1 8.2770 0.0000 . 1 . . . . . 28 LYS HN . 51776 3 52 . 3 . 3 33 33 LYS N N 15 122.7250 0.0000 . 1 . . . . . 28 LYS N . 51776 3 53 . 3 . 3 34 34 ARG H H 1 8.4210 0.0000 . 1 . . . . . 29 ARG HN . 51776 3 54 . 3 . 3 34 34 ARG N N 15 123.3360 0.0000 . 1 . . . . . 29 ARG N . 51776 3 55 . 3 . 3 35 35 LYS H H 1 8.2960 0.0000 . 1 . . . . . 30 LYS HN . 51776 3 56 . 3 . 3 35 35 LYS N N 15 122.6480 0.0000 . 1 . . . . . 30 LYS N . 51776 3 57 . 3 . 3 36 36 ARG H H 1 8.3370 0.0000 . 1 . . . . . 31 ARG HN . 51776 3 58 . 3 . 3 36 36 ARG N N 15 123.1510 0.0000 . 1 . . . . . 31 ARG N . 51776 3 59 . 3 . 3 37 37 SER H H 1 8.4370 0.0000 . 1 . . . . . 32 SER HN . 51776 3 60 . 3 . 3 37 37 SER N N 15 118.1930 0.0000 . 1 . . . . . 32 SER N . 51776 3 61 . 3 . 3 38 38 ARG H H 1 8.4710 0.0000 . 1 . . . . . 33 ARG HN . 51776 3 62 . 3 . 3 38 38 ARG N N 15 123.9200 0.0000 . 1 . . . . . 33 ARG N . 51776 3 63 . 3 . 3 39 39 LYS H H 1 8.4090 0.0000 . 1 . . . . . 34 LYS HN . 51776 3 64 . 3 . 3 39 39 LYS N N 15 123.9060 0.0000 . 1 . . . . . 34 LYS N . 51776 3 65 . 3 . 3 40 40 GLU H H 1 8.2350 0.0000 . 1 . . . . . 35 GLU HN . 51776 3 66 . 3 . 3 40 40 GLU N N 15 122.9110 0.0000 . 1 . . . . . 35 GLU N . 51776 3 67 . 3 . 3 41 41 SER H H 1 8.5520 0.0000 . 1 . . . . . 36 SER HN . 51776 3 68 . 3 . 3 41 41 SER N N 15 116.9370 0.0000 . 1 . . . . . 36 SER N . 51776 3 69 . 3 . 3 47 47 TYR H H 1 8.2880 0.0000 . 1 . . . . . 42 TYR HN . 51776 3 70 . 3 . 3 47 47 TYR N N 15 118.3920 0.0000 . 1 . . . . . 42 TYR N . 51776 3 71 . 3 . 3 48 48 LYS H H 1 7.5110 0.0000 . 1 . . . . . 43 LYS HN . 51776 3 72 . 3 . 3 48 48 LYS N N 15 117.6720 0.0000 . 1 . . . . . 43 LYS N . 51776 3 73 . 3 . 3 49 49 VAL H H 1 7.9250 0.0000 . 1 . . . . . 44 VAL HN . 51776 3 74 . 3 . 3 49 49 VAL N N 15 120.0730 0.0000 . 1 . . . . . 44 VAL N . 51776 3 75 . 3 . 3 50 50 LEU H H 1 8.5200 0.0000 . 1 . . . . . 45 LEU HN . 51776 3 76 . 3 . 3 50 50 LEU N N 15 121.9560 0.0000 . 1 . . . . . 45 LEU N . 51776 3 77 . 3 . 3 51 51 LYS H H 1 7.7450 0.0000 . 1 . . . . . 46 LYS HN . 51776 3 78 . 3 . 3 51 51 LYS N N 15 114.5720 0.0000 . 1 . . . . . 46 LYS N . 51776 3 79 . 3 . 3 52 52 GLN H H 1 7.3120 0.0000 . 1 . . . . . 47 GLN HN . 51776 3 80 . 3 . 3 52 52 GLN N N 15 115.7020 0.0000 . 1 . . . . . 47 GLN N . 51776 3 81 . 3 . 3 53 53 VAL H H 1 7.6630 0.0000 . 1 . . . . . 48 VAL HN . 51776 3 82 . 3 . 3 53 53 VAL N N 15 113.6290 0.0000 . 1 . . . . . 48 VAL N . 51776 3 83 . 3 . 3 54 54 HIS H H 1 8.9390 0.0000 . 1 . . . . . 49 HIS HN . 51776 3 84 . 3 . 3 54 54 HIS N N 15 118.7760 0.0000 . 1 . . . . . 49 HIS N . 51776 3 85 . 3 . 3 56 56 ASP H H 1 8.3380 0.0000 . 1 . . . . . 51 ASP HN . 51776 3 86 . 3 . 3 56 56 ASP N N 15 115.8020 0.0000 . 1 . . . . . 51 ASP N . 51776 3 87 . 3 . 3 57 57 THR H H 1 7.8320 0.0000 . 1 . . . . . 52 THR HN . 51776 3 88 . 3 . 3 57 57 THR N N 15 119.0630 0.0000 . 1 . . . . . 52 THR N . 51776 3 89 . 3 . 3 58 58 GLY H H 1 8.6590 0.0000 . 1 . . . . . 53 GLY HN . 51776 3 90 . 3 . 3 58 58 GLY N N 15 113.6830 0.0000 . 1 . . . . . 53 GLY N . 51776 3 91 . 3 . 3 59 59 ILE H H 1 8.7080 0.0000 . 1 . . . . . 54 ILE HN . 51776 3 92 . 3 . 3 59 59 ILE N N 15 118.1090 0.0000 . 1 . . . . . 54 ILE N . 51776 3 93 . 3 . 3 60 60 SER H H 1 8.9340 0.0000 . 1 . . . . . 55 SER HN . 51776 3 94 . 3 . 3 60 60 SER N N 15 125.5990 0.0000 . 1 . . . . . 55 SER N . 51776 3 95 . 3 . 3 61 61 SER H H 1 9.2690 0.0000 . 1 . . . . . 56 SER HN . 51776 3 96 . 3 . 3 61 61 SER N N 15 118.4530 0.0000 . 1 . . . . . 56 SER N . 51776 3 97 . 3 . 3 63 63 ALA H H 1 7.6470 0.0000 . 1 . . . . . 58 ALA HN . 51776 3 98 . 3 . 3 63 63 ALA N N 15 121.8700 0.0000 . 1 . . . . . 58 ALA N . 51776 3 99 . 3 . 3 64 64 MET H H 1 8.8390 0.0000 . 1 . . . . . 59 MET HN . 51776 3 100 . 3 . 3 64 64 MET N N 15 120.4330 0.0000 . 1 . . . . . 59 MET N . 51776 3 101 . 3 . 3 65 65 GLY H H 1 7.9790 0.0000 . 1 . . . . . 60 GLY HN . 51776 3 102 . 3 . 3 65 65 GLY N N 15 107.5760 0.0000 . 1 . . . . . 60 GLY N . 51776 3 103 . 3 . 3 66 66 ILE H H 1 7.3050 0.0000 . 1 . . . . . 61 ILE HN . 51776 3 104 . 3 . 3 66 66 ILE N N 15 123.9800 0.0000 . 1 . . . . . 61 ILE N . 51776 3 105 . 3 . 3 67 67 MET H H 1 7.9940 0.0000 . 1 . . . . . 62 MET HN . 51776 3 106 . 3 . 3 67 67 MET N N 15 118.4290 0.0000 . 1 . . . . . 62 MET N . 51776 3 107 . 3 . 3 68 68 ASN H H 1 8.5710 0.0000 . 1 . . . . . 63 ASN HN . 51776 3 108 . 3 . 3 68 68 ASN N N 15 117.6050 0.0000 . 1 . . . . . 63 ASN N . 51776 3 109 . 3 . 3 69 69 SER H H 1 8.0340 0.0000 . 1 . . . . . 64 SER HN . 51776 3 110 . 3 . 3 69 69 SER N N 15 118.7780 0.0000 . 1 . . . . . 64 SER N . 51776 3 111 . 3 . 3 70 70 PHE H H 1 8.4470 0.0000 . 1 . . . . . 65 PHE HN . 51776 3 112 . 3 . 3 70 70 PHE N N 15 122.4540 0.0000 . 1 . . . . . 65 PHE N . 51776 3 113 . 3 . 3 71 71 VAL H H 1 8.4420 0.0000 . 1 . . . . . 66 VAL HN . 51776 3 114 . 3 . 3 71 71 VAL N N 15 118.6020 0.0000 . 1 . . . . . 66 VAL N . 51776 3 115 . 3 . 3 72 72 ASN H H 1 8.0930 0.0000 . 1 . . . . . 67 ASN HN . 51776 3 116 . 3 . 3 72 72 ASN N N 15 115.6650 0.0000 . 1 . . . . . 67 ASN N . 51776 3 117 . 3 . 3 73 73 ASP H H 1 8.1900 0.0000 . 1 . . . . . 68 ASP HN . 51776 3 118 . 3 . 3 73 73 ASP N N 15 120.1400 0.0000 . 1 . . . . . 68 ASP N . 51776 3 119 . 3 . 3 74 74 ILE H H 1 8.3760 0.0000 . 1 . . . . . 69 ILE HN . 51776 3 120 . 3 . 3 74 74 ILE N N 15 118.4830 0.0000 . 1 . . . . . 69 ILE N . 51776 3 121 . 3 . 3 75 75 PHE H H 1 8.6270 0.0000 . 1 . . . . . 70 PHE HN . 51776 3 122 . 3 . 3 75 75 PHE N N 15 120.1230 0.0000 . 1 . . . . . 70 PHE N . 51776 3 123 . 3 . 3 76 76 GLU H H 1 8.4320 0.0000 . 1 . . . . . 71 GLU HN . 51776 3 124 . 3 . 3 76 76 GLU N N 15 117.7140 0.0000 . 1 . . . . . 71 GLU N . 51776 3 125 . 3 . 3 77 77 ARG H H 1 8.4390 0.0000 . 1 . . . . . 72 ARG HN . 51776 3 126 . 3 . 3 77 77 ARG N N 15 119.9340 0.0000 . 1 . . . . . 72 ARG N . 51776 3 127 . 3 . 3 78 78 ILE H H 1 8.2740 0.0000 . 1 . . . . . 73 ILE HN . 51776 3 128 . 3 . 3 78 78 ILE N N 15 119.2610 0.0000 . 1 . . . . . 73 ILE N . 51776 3 129 . 3 . 3 79 79 ALA H H 1 8.7290 0.0000 . 1 . . . . . 74 ALA HN . 51776 3 130 . 3 . 3 79 79 ALA N N 15 122.2910 0.0000 . 1 . . . . . 74 ALA N . 51776 3 131 . 3 . 3 80 80 GLY H H 1 8.1100 0.0000 . 1 . . . . . 75 GLY HN . 51776 3 132 . 3 . 3 80 80 GLY N N 15 103.7170 0.0000 . 1 . . . . . 75 GLY N . 51776 3 133 . 3 . 3 81 81 GLU H H 1 7.5900 0.0000 . 1 . . . . . 76 GLU HN . 51776 3 134 . 3 . 3 81 81 GLU N N 15 124.1550 0.0000 . 1 . . . . . 76 GLU N . 51776 3 135 . 3 . 3 82 82 ALA H H 1 8.7730 0.0000 . 1 . . . . . 77 ALA HN . 51776 3 136 . 3 . 3 82 82 ALA N N 15 121.9710 0.0000 . 1 . . . . . 77 ALA N . 51776 3 137 . 3 . 3 83 83 SER H H 1 8.2300 0.0000 . 1 . . . . . 78 SER HN . 51776 3 138 . 3 . 3 83 83 SER N N 15 111.0900 0.0000 . 1 . . . . . 78 SER N . 51776 3 139 . 3 . 3 84 84 ARG H H 1 7.8300 0.0000 . 1 . . . . . 79 ARG HN . 51776 3 140 . 3 . 3 84 84 ARG N N 15 123.0260 0.0000 . 1 . . . . . 79 ARG N . 51776 3 141 . 3 . 3 85 85 LEU H H 1 8.3690 0.0000 . 1 . . . . . 80 LEU HN . 51776 3 142 . 3 . 3 85 85 LEU N N 15 120.0030 0.0000 . 1 . . . . . 80 LEU N . 51776 3 143 . 3 . 3 87 87 HIS H H 1 8.0420 0.0000 . 1 . . . . . 82 HIS HN . 51776 3 144 . 3 . 3 87 87 HIS N N 15 114.7340 0.0000 . 1 . . . . . 82 HIS N . 51776 3 145 . 3 . 3 89 89 ASN H H 1 7.6360 0.0000 . 1 . . . . . 84 ASN HN . 51776 3 146 . 3 . 3 89 89 ASN N N 15 115.6440 0.0000 . 1 . . . . . 84 ASN N . 51776 3 147 . 3 . 3 91 91 ARG H H 1 8.3860 0.0000 . 1 . . . . . 86 ARG HN . 51776 3 148 . 3 . 3 91 91 ARG N N 15 117.8940 0.0000 . 1 . . . . . 86 ARG N . 51776 3 149 . 3 . 3 92 92 SER H H 1 8.5450 0.0000 . 1 . . . . . 87 SER HN . 51776 3 150 . 3 . 3 92 92 SER N N 15 118.0090 0.0000 . 1 . . . . . 87 SER N . 51776 3 151 . 3 . 3 93 93 THR H H 1 7.5470 0.0000 . 1 . . . . . 88 THR HN . 51776 3 152 . 3 . 3 93 93 THR N N 15 116.5110 0.0000 . 1 . . . . . 88 THR N . 51776 3 153 . 3 . 3 94 94 ILE H H 1 7.6880 0.0000 . 1 . . . . . 89 ILE HN . 51776 3 154 . 3 . 3 94 94 ILE N N 15 124.1290 0.0000 . 1 . . . . . 89 ILE N . 51776 3 155 . 3 . 3 95 95 THR H H 1 9.2880 0.0000 . 1 . . . . . 90 THR HN . 51776 3 156 . 3 . 3 95 95 THR N N 15 121.0040 0.0000 . 1 . . . . . 90 THR N . 51776 3 157 . 3 . 3 96 96 SER H H 1 9.0660 0.0000 . 1 . . . . . 91 SER HN . 51776 3 158 . 3 . 3 96 96 SER N N 15 116.8840 0.0000 . 1 . . . . . 91 SER N . 51776 3 159 . 3 . 3 97 97 ARG H H 1 7.8140 0.0000 . 1 . . . . . 92 ARG HN . 51776 3 160 . 3 . 3 97 97 ARG N N 15 122.1900 0.0000 . 1 . . . . . 92 ARG N . 51776 3 161 . 3 . 3 98 98 GLU H H 1 7.4340 0.0000 . 1 . . . . . 93 GLU HN . 51776 3 162 . 3 . 3 98 98 GLU N N 15 119.2860 0.0000 . 1 . . . . . 93 GLU N . 51776 3 163 . 3 . 3 99 99 ILE H H 1 7.1190 0.0000 . 1 . . . . . 94 ILE HN . 51776 3 164 . 3 . 3 99 99 ILE N N 15 116.2100 0.0000 . 1 . . . . . 94 ILE N . 51776 3 165 . 3 . 3 100 100 GLN H H 1 7.9040 0.0000 . 1 . . . . . 95 GLN HN . 51776 3 166 . 3 . 3 100 100 GLN N N 15 119.5430 0.0000 . 1 . . . . . 95 GLN N . 51776 3 167 . 3 . 3 101 101 THR H H 1 8.1280 0.0000 . 1 . . . . . 96 THR HN . 51776 3 168 . 3 . 3 101 101 THR N N 15 115.7250 0.0000 . 1 . . . . . 96 THR N . 51776 3 169 . 3 . 3 102 102 ALA H H 1 7.8810 0.0000 . 1 . . . . . 97 ALA HN . 51776 3 170 . 3 . 3 102 102 ALA N N 15 123.1060 0.0000 . 1 . . . . . 97 ALA N . 51776 3 171 . 3 . 3 103 103 VAL H H 1 8.4520 0.0000 . 1 . . . . . 98 VAL HN . 51776 3 172 . 3 . 3 103 103 VAL N N 15 117.8350 0.0000 . 1 . . . . . 98 VAL N . 51776 3 173 . 3 . 3 104 104 ARG H H 1 7.8070 0.0000 . 1 . . . . . 99 ARG HN . 51776 3 174 . 3 . 3 104 104 ARG N N 15 116.9560 0.0000 . 1 . . . . . 99 ARG N . 51776 3 175 . 3 . 3 105 105 LEU H H 1 7.7820 0.0000 . 1 . . . . . 100 LEU HN . 51776 3 176 . 3 . 3 105 105 LEU N N 15 117.8250 0.0000 . 1 . . . . . 100 LEU N . 51776 3 177 . 3 . 3 106 106 LEU H H 1 7.8950 0.0000 . 1 . . . . . 101 LEU HN . 51776 3 178 . 3 . 3 106 106 LEU N N 15 117.4310 0.0000 . 1 . . . . . 101 LEU N . 51776 3 179 . 3 . 3 107 107 LEU H H 1 8.1810 0.0000 . 1 . . . . . 102 LEU HN . 51776 3 180 . 3 . 3 107 107 LEU N N 15 120.0250 0.0000 . 1 . . . . . 102 LEU N . 51776 3 181 . 3 . 3 109 109 GLY H H 1 8.0980 0.0000 . 1 . . . . . 104 GLY HN . 51776 3 182 . 3 . 3 109 109 GLY N N 15 105.1090 0.0000 . 1 . . . . . 104 GLY N . 51776 3 183 . 3 . 3 110 110 GLU H H 1 10.2720 0.0000 . 1 . . . . . 105 GLU HN . 51776 3 184 . 3 . 3 110 110 GLU N N 15 129.2870 0.0000 . 1 . . . . . 105 GLU N . 51776 3 185 . 3 . 3 111 111 LEU H H 1 9.0030 0.0000 . 1 . . . . . 106 LEU HN . 51776 3 186 . 3 . 3 111 111 LEU N N 15 123.7960 0.0000 . 1 . . . . . 106 LEU N . 51776 3 187 . 3 . 3 112 112 ALA H H 1 7.9560 0.0000 . 1 . . . . . 107 ALA HN . 51776 3 188 . 3 . 3 112 112 ALA N N 15 119.1680 0.0000 . 1 . . . . . 107 ALA N . 51776 3 189 . 3 . 3 113 113 LYS H H 1 7.3750 0.0000 . 1 . . . . . 108 LYS HN . 51776 3 190 . 3 . 3 113 113 LYS N N 15 116.8550 0.0000 . 1 . . . . . 108 LYS N . 51776 3 191 . 3 . 3 114 114 HIS H H 1 8.1430 0.0000 . 1 . . . . . 109 HIS HN . 51776 3 192 . 3 . 3 114 114 HIS N N 15 117.7300 0.0000 . 1 . . . . . 109 HIS N . 51776 3 193 . 3 . 3 115 115 ALA H H 1 8.7010 0.0000 . 1 . . . . . 110 ALA HN . 51776 3 194 . 3 . 3 115 115 ALA N N 15 123.4900 0.0000 . 1 . . . . . 110 ALA N . 51776 3 195 . 3 . 3 116 116 VAL H H 1 8.2510 0.0000 . 1 . . . . . 111 VAL HN . 51776 3 196 . 3 . 3 116 116 VAL N N 15 117.2130 0.0000 . 1 . . . . . 111 VAL N . 51776 3 197 . 3 . 3 117 117 SER H H 1 7.4800 0.0000 . 1 . . . . . 112 SER HN . 51776 3 198 . 3 . 3 117 117 SER N N 15 117.5680 0.0000 . 1 . . . . . 112 SER N . 51776 3 199 . 3 . 3 118 118 GLU H H 1 8.1280 0.0000 . 1 . . . . . 113 GLU HN . 51776 3 200 . 3 . 3 118 118 GLU N N 15 120.1380 0.0000 . 1 . . . . . 113 GLU N . 51776 3 201 . 3 . 3 119 119 GLY H H 1 8.6560 0.0000 . 1 . . . . . 114 GLY HN . 51776 3 202 . 3 . 3 119 119 GLY N N 15 109.7400 0.0000 . 1 . . . . . 114 GLY N . 51776 3 203 . 3 . 3 120 120 THR H H 1 7.9560 0.0000 . 1 . . . . . 115 THR HN . 51776 3 204 . 3 . 3 120 120 THR N N 15 116.5830 0.0000 . 1 . . . . . 115 THR N . 51776 3 205 . 3 . 3 121 121 LYS H H 1 7.9780 0.0000 . 1 . . . . . 116 LYS HN . 51776 3 206 . 3 . 3 121 121 LYS N N 15 124.0610 0.0000 . 1 . . . . . 116 LYS N . 51776 3 207 . 3 . 3 122 122 ALA H H 1 7.6570 0.0000 . 1 . . . . . 117 ALA HN . 51776 3 208 . 3 . 3 122 122 ALA N N 15 121.8710 0.0000 . 1 . . . . . 117 ALA N . 51776 3 209 . 3 . 3 123 123 VAL H H 1 8.0810 0.0000 . 1 . . . . . 118 VAL HN . 51776 3 210 . 3 . 3 123 123 VAL N N 15 117.8610 0.0000 . 1 . . . . . 118 VAL N . 51776 3 211 . 3 . 3 126 126 TYR H H 1 8.2700 0.0000 . 1 . . . . . 121 TYR HN . 51776 3 212 . 3 . 3 126 126 TYR N N 15 118.6960 0.0000 . 1 . . . . . 121 TYR N . 51776 3 213 . 3 . 3 127 127 THR H H 1 8.2820 0.0000 . 1 . . . . . 122 THR HN . 51776 3 214 . 3 . 3 127 127 THR N N 15 110.1840 0.0000 . 1 . . . . . 122 THR N . 51776 3 215 . 3 . 3 128 128 SER H H 1 7.7100 0.0000 . 1 . . . . . 123 SER HN . 51776 3 216 . 3 . 3 128 128 SER N N 15 116.9180 0.0000 . 1 . . . . . 123 SER N . 51776 3 217 . 3 . 3 129 129 ALA H H 1 7.7350 0.0000 . 1 . . . . . 124 ALA HN . 51776 3 218 . 3 . 3 129 129 ALA N N 15 125.9830 0.0000 . 1 . . . . . 124 ALA N . 51776 3 219 . 3 . 3 130 130 LYS H H 1 7.7800 0.0000 . 1 . . . . . 125 LYS HN . 51776 3 220 . 3 . 3 130 130 LYS N N 15 126.1340 0.0000 . 1 . . . . . 125 LYS N . 51776 3 stop_ save_