################################### # 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 52395 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Lcl-CLR _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 HSQC' . . . 52395 1 2 '2D 1H-13C HSQC' . . . 52395 1 3 '2D 1H-1H TOCSY' . . . 52395 1 4 '2D 1H-1H COSY' . . . 52395 1 5 '2D 1H-13C TOCSY' . . . 52395 1 6 '2D 1H-1H ROESY' . . . 52395 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 . . 52395 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 ACE H21 H 1 1.990 0.002 . 1 . . . . . 1 ACY H21 . 52395 1 2 . 1 . 1 1 1 ACE H22 H 1 1.990 0.002 . 1 . . . . . 1 ACY H22 . 52395 1 3 . 1 . 1 1 1 ACE H23 H 1 1.990 0.002 . 1 . . . . . 1 ACY H23 . 52395 1 4 . 1 . 1 1 1 ACE C2 C 13 24.344 0.000 . 1 . . . . . 1 ACY C2 . 52395 1 5 . 1 . 1 2 2 GLU H H 1 8.411 0.002 . 1 . . . . . 2 GLU H . 52395 1 6 . 1 . 1 2 2 GLU HA H 1 4.194 0.002 . 1 . . . . . 2 GLU HA . 52395 1 7 . 1 . 1 2 2 GLU HB2 H 1 1.993 0.005 . 2 . . . . . 2 GLU HB2 . 52395 1 8 . 1 . 1 2 2 GLU HB3 H 1 1.879 0.003 . 2 . . . . . 2 GLU HB3 . 52395 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.252 0.001 . 2 . . . . . 2 GLU HG2 . 52395 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.248 0.001 . 2 . . . . . 2 GLU HG3 . 52395 1 11 . 1 . 1 2 2 GLU CA C 13 56.514 0.008 . 1 . . . . . 2 GLU CA . 52395 1 12 . 1 . 1 2 2 GLU CB C 13 30.411 0.007 . 1 . . . . . 2 GLU CB . 52395 1 13 . 1 . 1 2 2 GLU CG C 13 36.101 0.010 . 1 . . . . . 2 GLU CG . 52395 1 14 . 1 . 1 2 2 GLU N N 15 126.880 0.000 . 1 . . . . . 2 GLU N . 52395 1 15 . 1 . 1 3 3 ALA H H 1 8.540 0.001 . 1 . . . . . 3 ALA H . 52395 1 16 . 1 . 1 3 3 ALA HA H 1 4.335 0.007 . 1 . . . . . 3 ALA HA . 52395 1 17 . 1 . 1 3 3 ALA HB1 H 1 1.372 0.004 . 1 . . . . . 3 ALA HB1 . 52395 1 18 . 1 . 1 3 3 ALA HB2 H 1 1.372 0.004 . 1 . . . . . 3 ALA HB2 . 52395 1 19 . 1 . 1 3 3 ALA HB3 H 1 1.372 0.004 . 1 . . . . . 3 ALA HB3 . 52395 1 20 . 1 . 1 3 3 ALA CA C 13 52.525 0.020 . 1 . . . . . 3 ALA CA . 52395 1 21 . 1 . 1 3 3 ALA CB C 13 19.301 0.074 . 1 . . . . . 3 ALA CB . 52395 1 22 . 1 . 1 3 3 ALA N N 15 125.316 0.000 . 1 . . . . . 3 ALA N . 52395 1 23 . 1 . 1 4 4 GLY H H 1 8.270 0.003 . 1 . . . . . 4 GLY H . 52395 1 24 . 1 . 1 4 4 GLY HA2 H 1 4.093 0.007 . 2 . . . . . 4 GLY HA2 . 52395 1 25 . 1 . 1 4 4 GLY HA3 H 1 4.009 0.011 . 2 . . . . . 4 GLY HA3 . 52395 1 26 . 1 . 1 4 4 GLY CA C 13 44.382 0.000 . 1 . . . . . 4 GLY CA . 52395 1 27 . 1 . 1 4 4 GLY N N 15 108.366 0.000 . 1 . . . . . 4 GLY N . 52395 1 28 . 1 . 1 5 5 PRO HA H 1 4.386 0.002 . 1 . . . . . 5 PRO HA . 52395 1 29 . 1 . 1 5 5 PRO HB2 H 1 2.262 0.003 . 2 . . . . . 5 PRO HB2 . 52395 1 30 . 1 . 1 5 5 PRO HB3 H 1 1.912 0.003 . 2 . . . . . 5 PRO HB3 . 52395 1 31 . 1 . 1 5 5 PRO HG2 H 1 1.993 0.003 . 1 . . . . . 5 PRO HG2 . 52395 1 32 . 1 . 1 5 5 PRO HG3 H 1 1.993 0.003 . 1 . . . . . 5 PRO HG3 . 52395 1 33 . 1 . 1 5 5 PRO HD2 H 1 3.606 0.004 . 1 . . . . . 5 PRO HD2 . 52395 1 34 . 1 . 1 5 5 PRO HD3 H 1 3.606 0.004 . 1 . . . . . 5 PRO HD3 . 52395 1 35 . 1 . 1 5 5 PRO CA C 13 63.227 0.028 . 1 . . . . . 5 PRO CA . 52395 1 36 . 1 . 1 5 5 PRO CB C 13 32.182 0.016 . 1 . . . . . 5 PRO CB . 52395 1 37 . 1 . 1 5 5 PRO CG C 13 27.222 0.025 . 1 . . . . . 5 PRO CG . 52395 1 38 . 1 . 1 5 5 PRO CD C 13 49.739 0.024 . 1 . . . . . 5 PRO CD . 52395 1 39 . 1 . 1 6 6 GLN H H 1 8.667 0.002 . 1 . . . . . 6 GLN H . 52395 1 40 . 1 . 1 6 6 GLN HA H 1 4.308 0.004 . 1 . . . . . 6 GLN HA . 52395 1 41 . 1 . 1 6 6 GLN HB2 H 1 1.963 0.007 . 2 . . . . . 6 GLN HB2 . 52395 1 42 . 1 . 1 6 6 GLN HB3 H 1 2.125 0.001 . 2 . . . . . 6 GLN HB3 . 52395 1 43 . 1 . 1 6 6 GLN HG2 H 1 2.388 0.002 . 2 . . . . . 6 GLN HG2 . 52395 1 44 . 1 . 1 6 6 GLN HG3 H 1 2.362 0.002 . 2 . . . . . 6 GLN HG3 . 52395 1 45 . 1 . 1 6 6 GLN HE21 H 1 7.552 0.003 . 1 . . . . . 6 GLN HE21 . 52395 1 46 . 1 . 1 6 6 GLN HE22 H 1 6.906 0.003 . 1 . . . . . 6 GLN HE22 . 52395 1 47 . 1 . 1 6 6 GLN CA C 13 55.777 0.018 . 1 . . . . . 6 GLN CA . 52395 1 48 . 1 . 1 6 6 GLN CB C 13 29.463 0.060 . 1 . . . . . 6 GLN CB . 52395 1 49 . 1 . 1 6 6 GLN CG C 13 33.860 0.019 . 1 . . . . . 6 GLN CG . 52395 1 50 . 1 . 1 6 6 GLN N N 15 120.423 0.000 . 1 . . . . . 6 GLN N . 52395 1 51 . 1 . 1 6 6 GLN NE2 N 15 113.414 0.001 . 1 . . . . . 6 GLN NE2 . 52395 1 52 . 1 . 1 7 7 GLY H H 1 8.381 0.003 . 1 . . . . . 7 GLY H . 52395 1 53 . 1 . 1 7 7 GLY HA2 H 1 3.919 0.000 . 2 . . . . . 7 GLY HA2 . 52395 1 54 . 1 . 1 7 7 GLY HA3 H 1 3.869 0.000 . 2 . . . . . 7 GLY HA3 . 52395 1 55 . 1 . 1 7 7 GLY CA C 13 45.074 0.002 . 1 . . . . . 7 GLY CA . 52395 1 56 . 1 . 1 7 7 GLY N N 15 109.797 0.000 . 1 . . . . . 7 GLY N . 52395 1 57 . 1 . 1 8 8 LEU H H 1 8.219 0.002 . 1 . . . . . 8 LEU H . 52395 1 58 . 1 . 1 8 8 LEU HA H 1 4.592 0.003 . 1 . . . . . 8 LEU HA . 52395 1 59 . 1 . 1 8 8 LEU HB2 H 1 1.537 0.003 . 2 . . . . . 8 LEU HB2 . 52395 1 60 . 1 . 1 8 8 LEU HB3 H 1 1.581 0.005 . 2 . . . . . 8 LEU HB3 . 52395 1 61 . 1 . 1 8 8 LEU HG H 1 1.635 0.003 . 1 . . . . . 8 LEU HG . 52395 1 62 . 1 . 1 8 8 LEU HD11 H 1 0.907 0.003 . 2 . . . . . 8 LEU HD11 . 52395 1 63 . 1 . 1 8 8 LEU HD12 H 1 0.907 0.003 . 2 . . . . . 8 LEU HD12 . 52395 1 64 . 1 . 1 8 8 LEU HD13 H 1 0.907 0.003 . 2 . . . . . 8 LEU HD13 . 52395 1 65 . 1 . 1 8 8 LEU HD21 H 1 0.887 0.003 . 2 . . . . . 8 LEU HD21 . 52395 1 66 . 1 . 1 8 8 LEU HD22 H 1 0.887 0.003 . 2 . . . . . 8 LEU HD22 . 52395 1 67 . 1 . 1 8 8 LEU HD23 H 1 0.887 0.003 . 2 . . . . . 8 LEU HD23 . 52395 1 68 . 1 . 1 8 8 LEU CA C 13 53.004 0.017 . 1 . . . . . 8 LEU CA . 52395 1 69 . 1 . 1 8 8 LEU CB C 13 41.589 0.023 . 1 . . . . . 8 LEU CB . 52395 1 70 . 1 . 1 8 8 LEU CG C 13 27.035 0.034 . 1 . . . . . 8 LEU CG . 52395 1 71 . 1 . 1 8 8 LEU CD1 C 13 23.206 0.026 . 2 . . . . . 8 LEU CD1 . 52395 1 72 . 1 . 1 8 8 LEU CD2 C 13 25.153 0.024 . 2 . . . . . 8 LEU CD2 . 52395 1 73 . 1 . 1 8 8 LEU N N 15 123.065 0.000 . 1 . . . . . 8 LEU N . 52395 1 74 . 1 . 1 9 9 PRO HA H 1 4.430 0.004 . 1 . . . . . 9 PRO HA . 52395 1 75 . 1 . 1 9 9 PRO HB2 H 1 2.268 0.002 . 2 . . . . . 9 PRO HB2 . 52395 1 76 . 1 . 1 9 9 PRO HB3 H 1 1.925 0.003 . 2 . . . . . 9 PRO HB3 . 52395 1 77 . 1 . 1 9 9 PRO HG2 H 1 2.009 0.002 . 1 . . . . . 9 PRO HG2 . 52395 1 78 . 1 . 1 9 9 PRO HG3 H 1 2.009 0.002 . 1 . . . . . 9 PRO HG3 . 52395 1 79 . 1 . 1 9 9 PRO HD2 H 1 3.632 0.003 . 1 . . . . . 9 PRO HD2 . 52395 1 80 . 1 . 1 9 9 PRO HD3 H 1 3.632 0.003 . 1 . . . . . 9 PRO HD3 . 52395 1 81 . 1 . 1 9 9 PRO CA C 13 63.243 0.026 . 1 . . . . . 9 PRO CA . 52395 1 82 . 1 . 1 9 9 PRO CB C 13 32.320 0.014 . 1 . . . . . 9 PRO CB . 52395 1 83 . 1 . 1 9 9 PRO CG C 13 27.218 0.009 . 1 . . . . . 9 PRO CG . 52395 1 84 . 1 . 1 9 9 PRO CD C 13 50.568 0.043 . 1 . . . . . 9 PRO CD . 52395 1 85 . 1 . 1 10 10 GLY H H 1 8.356 0.002 . 1 . . . . . 10 GLY H . 52395 1 86 . 1 . 1 10 10 GLY HA2 H 1 4.149 0.000 . 2 . . . . . 10 GLY HA2 . 52395 1 87 . 1 . 1 10 10 GLY HA3 H 1 3.974 0.001 . 2 . . . . . 10 GLY HA3 . 52395 1 88 . 1 . 1 10 10 GLY CA C 13 44.490 0.000 . 1 . . . . . 10 GLY CA . 52395 1 89 . 1 . 1 10 10 GLY N N 15 109.333 0.000 . 1 . . . . . 10 GLY N . 52395 1 90 . 1 . 1 11 11 PRO HA H 1 4.392 0.001 . 1 . . . . . 11 PRO HA . 52395 1 91 . 1 . 1 11 11 PRO HB2 H 1 2.269 0.001 . 2 . . . . . 11 PRO HB2 . 52395 1 92 . 1 . 1 11 11 PRO HB3 H 1 1.914 0.001 . 2 . . . . . 11 PRO HB3 . 52395 1 93 . 1 . 1 11 11 PRO HG2 H 1 2.005 0.001 . 1 . . . . . 11 PRO HG2 . 52395 1 94 . 1 . 1 11 11 PRO HG3 H 1 2.005 0.001 . 1 . . . . . 11 PRO HG3 . 52395 1 95 . 1 . 1 11 11 PRO HD2 H 1 3.615 0.001 . 1 . . . . . 11 PRO HD2 . 52395 1 96 . 1 . 1 11 11 PRO HD3 H 1 3.615 0.001 . 1 . . . . . 11 PRO HD3 . 52395 1 97 . 1 . 1 11 11 PRO CA C 13 62.908 0.047 . 1 . . . . . 11 PRO CA . 52395 1 98 . 1 . 1 11 11 PRO CB C 13 31.886 0.022 . 1 . . . . . 11 PRO CB . 52395 1 99 . 1 . 1 11 11 PRO CG C 13 26.983 0.005 . 1 . . . . . 11 PRO CG . 52395 1 100 . 1 . 1 11 11 PRO CD C 13 49.593 0.006 . 1 . . . . . 11 PRO CD . 52395 1 101 . 1 . 1 12 12 LYS H H 1 8.616 0.002 . 1 . . . . . 12 LYS H . 52395 1 102 . 1 . 1 12 12 LYS HA H 1 4.305 0.004 . 1 . . . . . 12 LYS HA . 52395 1 103 . 1 . 1 12 12 LYS HB2 H 1 1.833 0.003 . 2 . . . . . 12 LYS HB2 . 52395 1 104 . 1 . 1 12 12 LYS HB3 H 1 1.757 0.004 . 2 . . . . . 12 LYS HB3 . 52395 1 105 . 1 . 1 12 12 LYS HG2 H 1 1.462 0.009 . 2 . . . . . 12 LYS HG2 . 52395 1 106 . 1 . 1 12 12 LYS HG3 H 1 1.420 0.014 . 2 . . . . . 12 LYS HG3 . 52395 1 107 . 1 . 1 12 12 LYS HD2 H 1 1.656 0.003 . 1 . . . . . 12 LYS HD2 . 52395 1 108 . 1 . 1 12 12 LYS HD3 H 1 1.655 0.002 . 1 . . . . . 12 LYS HD3 . 52395 1 109 . 1 . 1 12 12 LYS HE2 H 1 2.971 0.002 . 2 . . . . . 12 LYS HE2 . 52395 1 110 . 1 . 1 12 12 LYS HE3 H 1 2.970 0.001 . 2 . . . . . 12 LYS HE3 . 52395 1 111 . 1 . 1 12 12 LYS CA C 13 56.369 0.061 . 1 . . . . . 12 LYS CA . 52395 1 112 . 1 . 1 12 12 LYS CB C 13 33.075 0.026 . 1 . . . . . 12 LYS CB . 52395 1 113 . 1 . 1 12 12 LYS CG C 13 24.789 0.038 . 1 . . . . . 12 LYS CG . 52395 1 114 . 1 . 1 12 12 LYS CD C 13 29.005 0.015 . 1 . . . . . 12 LYS CD . 52395 1 115 . 1 . 1 12 12 LYS CE C 13 42.152 0.069 . 1 . . . . . 12 LYS CE . 52395 1 116 . 1 . 1 12 12 LYS N N 15 121.704 0.000 . 1 . . . . . 12 LYS N . 52395 1 117 . 1 . 1 13 13 GLY H H 1 8.434 0.004 . 1 . . . . . 13 GLY H . 52395 1 118 . 1 . 1 13 13 GLY HA2 H 1 3.927 0.000 . 1 . . . . . 13 GLY HA2 . 52395 1 119 . 1 . 1 13 13 GLY HA3 H 1 3.927 0.000 . 1 . . . . . 13 GLY HA3 . 52395 1 120 . 1 . 1 13 13 GLY CA C 13 45.226 0.003 . 1 . . . . . 13 GLY CA . 52395 1 121 . 1 . 1 13 13 GLY N N 15 109.900 0.000 . 1 . . . . . 13 GLY N . 52395 1 122 . 1 . 1 14 14 ASP H H 1 8.342 0.004 . 1 . . . . . 14 ASP H . 52395 1 123 . 1 . 1 14 14 ASP HA H 1 4.573 0.004 . 1 . . . . . 14 ASP HA . 52395 1 124 . 1 . 1 14 14 ASP HB2 H 1 2.663 0.002 . 2 . . . . . 14 ASP HB2 . 52395 1 125 . 1 . 1 14 14 ASP HB3 H 1 2.620 0.002 . 2 . . . . . 14 ASP HB3 . 52395 1 126 . 1 . 1 14 14 ASP CA C 13 54.323 0.042 . 1 . . . . . 14 ASP CA . 52395 1 127 . 1 . 1 14 14 ASP CB C 13 41.329 0.083 . 1 . . . . . 14 ASP CB . 52395 1 128 . 1 . 1 14 14 ASP N N 15 120.671 0.000 . 1 . . . . . 14 ASP N . 52395 1 129 . 1 . 1 15 15 ARG H H 1 8.524 0.002 . 1 . . . . . 15 ARG H . 52395 1 130 . 1 . 1 15 15 ARG HA H 1 4.312 0.003 . 1 . . . . . 15 ARG HA . 52395 1 131 . 1 . 1 15 15 ARG HB2 H 1 1.915 0.003 . 2 . . . . . 15 ARG HB2 . 52395 1 132 . 1 . 1 15 15 ARG HB3 H 1 1.765 0.003 . 2 . . . . . 15 ARG HB3 . 52395 1 133 . 1 . 1 15 15 ARG HG2 H 1 1.637 0.003 . 2 . . . . . 15 ARG HG2 . 52395 1 134 . 1 . 1 15 15 ARG HG3 H 1 1.595 0.003 . 2 . . . . . 15 ARG HG3 . 52395 1 135 . 1 . 1 15 15 ARG HD2 H 1 3.182 0.001 . 2 . . . . . 15 ARG HD2 . 52395 1 136 . 1 . 1 15 15 ARG HD3 H 1 3.166 0.001 . 2 . . . . . 15 ARG HD3 . 52395 1 137 . 1 . 1 15 15 ARG HE H 1 7.223 0.002 . 1 . . . . . 15 ARG HE . 52395 1 138 . 1 . 1 15 15 ARG CA C 13 56.198 0.020 . 1 . . . . . 15 ARG CA . 52395 1 139 . 1 . 1 15 15 ARG CB C 13 30.381 0.042 . 1 . . . . . 15 ARG CB . 52395 1 140 . 1 . 1 15 15 ARG CG C 13 27.013 0.021 . 1 . . . . . 15 ARG CG . 52395 1 141 . 1 . 1 15 15 ARG CD C 13 43.300 0.025 . 1 . . . . . 15 ARG CD . 52395 1 142 . 1 . 1 15 15 ARG N N 15 121.328 0.000 . 1 . . . . . 15 ARG N . 52395 1 143 . 1 . 1 16 16 GLY H H 1 8.476 0.002 . 1 . . . . . 16 GLY H . 52395 1 144 . 1 . 1 16 16 GLY HA2 H 1 3.902 0.001 . 1 . . . . . 16 GLY HA2 . 52395 1 145 . 1 . 1 16 16 GLY HA3 H 1 3.902 0.001 . 1 . . . . . 16 GLY HA3 . 52395 1 146 . 1 . 1 16 16 GLY CA C 13 45.373 0.000 . 1 . . . . . 16 GLY CA . 52395 1 147 . 1 . 1 16 16 GLY N N 15 109.794 0.000 . 1 . . . . . 16 GLY N . 52395 1 148 . 1 . 1 17 17 GLU H H 1 8.413 0.001 . 1 . . . . . 17 GLU H . 52395 1 149 . 1 . 1 17 17 GLU HA H 1 4.253 0.001 . 1 . . . . . 17 GLU HA . 52395 1 150 . 1 . 1 17 17 GLU HB2 H 1 1.905 0.002 . 2 . . . . . 17 GLU HB2 . 52395 1 151 . 1 . 1 17 17 GLU HB3 H 1 2.027 0.005 . 2 . . . . . 17 GLU HB3 . 52395 1 152 . 1 . 1 17 17 GLU HG2 H 1 2.232 0.001 . 2 . . . . . 17 GLU HG2 . 52395 1 153 . 1 . 1 17 17 GLU HG3 H 1 2.237 0.000 . 2 . . . . . 17 GLU HG3 . 52395 1 154 . 1 . 1 17 17 GLU CA C 13 56.455 0.002 . 1 . . . . . 17 GLU CA . 52395 1 155 . 1 . 1 17 17 GLU CB C 13 30.246 0.003 . 1 . . . . . 17 GLU CB . 52395 1 156 . 1 . 1 17 17 GLU CG C 13 36.048 0.002 . 1 . . . . . 17 GLU CG . 52395 1 157 . 1 . 1 17 17 GLU N N 15 120.948 0.000 . 1 . . . . . 17 GLU N . 52395 1 158 . 1 . 1 18 18 ALA H H 1 8.479 0.002 . 1 . . . . . 18 ALA H . 52395 1 159 . 1 . 1 18 18 ALA HA H 1 4.316 0.010 . 1 . . . . . 18 ALA HA . 52395 1 160 . 1 . 1 18 18 ALA HB1 H 1 1.383 0.001 . 1 . . . . . 18 ALA HB1 . 52395 1 161 . 1 . 1 18 18 ALA HB2 H 1 1.383 0.001 . 1 . . . . . 18 ALA HB2 . 52395 1 162 . 1 . 1 18 18 ALA HB3 H 1 1.383 0.001 . 1 . . . . . 18 ALA HB3 . 52395 1 163 . 1 . 1 18 18 ALA CA C 13 52.403 0.021 . 1 . . . . . 18 ALA CA . 52395 1 164 . 1 . 1 18 18 ALA CB C 13 19.395 0.036 . 1 . . . . . 18 ALA CB . 52395 1 165 . 1 . 1 18 18 ALA N N 15 125.260 0.000 . 1 . . . . . 18 ALA N . 52395 1 166 . 1 . 1 19 19 GLY H H 1 8.261 0.001 . 1 . . . . . 19 GLY H . 52395 1 167 . 1 . 1 19 19 GLY HA2 H 1 4.112 0.004 . 2 . . . . . 19 GLY HA2 . 52395 1 168 . 1 . 1 19 19 GLY HA3 H 1 4.033 0.003 . 2 . . . . . 19 GLY HA3 . 52395 1 169 . 1 . 1 19 19 GLY CA C 13 44.493 0.002 . 1 . . . . . 19 GLY CA . 52395 1 170 . 1 . 1 19 19 GLY N N 15 108.375 0.000 . 1 . . . . . 19 GLY N . 52395 1 171 . 1 . 1 20 20 PRO HA H 1 4.359 0.001 . 1 . . . . . 20 PRO HA . 52395 1 172 . 1 . 1 20 20 PRO HB2 H 1 2.256 0.000 . 2 . . . . . 20 PRO HB2 . 52395 1 173 . 1 . 1 20 20 PRO HB3 H 1 1.952 0.000 . 2 . . . . . 20 PRO HB3 . 52395 1 174 . 1 . 1 20 20 PRO HG2 H 1 1.999 0.000 . 1 . . . . . 20 PRO HG2 . 52395 1 175 . 1 . 1 20 20 PRO HG3 H 1 1.999 0.000 . 1 . . . . . 20 PRO HG3 . 52395 1 176 . 1 . 1 20 20 PRO HD2 H 1 3.576 0.000 . 2 . . . . . 20 PRO HD2 . 52395 1 177 . 1 . 1 20 20 PRO HD3 H 1 3.634 0.000 . 2 . . . . . 20 PRO HD3 . 52395 1 178 . 1 . 1 20 20 PRO CA C 13 62.951 0.039 . 1 . . . . . 20 PRO CA . 52395 1 179 . 1 . 1 20 20 PRO CB C 13 32.330 0.001 . 1 . . . . . 20 PRO CB . 52395 1 180 . 1 . 1 20 20 PRO CG C 13 27.044 0.006 . 1 . . . . . 20 PRO CG . 52395 1 181 . 1 . 1 20 20 PRO CD C 13 49.710 0.010 . 1 . . . . . 20 PRO CD . 52395 1 182 . 1 . 1 21 21 NH2 HN1 H 1 7.106 0.002 . 1 . . . . . 21 NH3 H . 52395 1 183 . 1 . 1 21 21 NH2 HN2 H 1 7.775 0.002 . 1 . . . . . 21 NH3 H' . 52395 1 184 . 1 . 1 21 21 NH2 N N 15 107.913 0.001 . 1 . . . . . 21 NH3 N . 52395 1 stop_ save_