################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26578 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.001 _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 '3D 1H-15N NOESY' . . . 26578 1 2 '2D 1H-15N HSQC' . . . 26578 1 3 '3D 1H-15N TOCSY' . . . 26578 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 $SPARKY . . 26578 1 2 $TOPSPIN . . 26578 1 3 $NMRPipe . . 26578 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 3 3 VAL H H 1 9.454 0.001 . 1 . . . . . 2 VAL H . 26578 1 2 . 1 . 1 3 3 VAL N N 15 124.899 0.001 . 1 . . . . . 2 VAL N . 26578 1 3 . 1 . 1 4 4 GLU H H 1 8.041 0.001 . 1 . . . . . 4 GLU H . 26578 1 4 . 1 . 1 4 4 GLU N N 15 120.426 0.001 . 1 . . . . . 4 GLU N . 26578 1 5 . 1 . 1 5 5 LYS H H 1 8.037 0.001 . 1 . . . . . 5 LYS H . 26578 1 6 . 1 . 1 5 5 LYS N N 15 121.250 0.001 . 1 . . . . . 5 LYS N . 26578 1 7 . 1 . 1 6 6 GLY H H 1 8.586 0.001 . 1 . . . . . 6 GLY H . 26578 1 8 . 1 . 1 6 6 GLY N N 15 107.020 0.001 . 1 . . . . . 6 GLY N . 26578 1 9 . 1 . 1 7 7 LYS H H 1 7.962 0.001 . 1 . . . . . 7 LYS H . 26578 1 10 . 1 . 1 7 7 LYS N N 15 124.147 0.001 . 1 . . . . . 7 LYS N . 26578 1 11 . 1 . 1 8 8 LYS H H 1 6.921 0.001 . 1 . . . . . 8 LYS H . 26578 1 12 . 1 . 1 8 8 LYS N N 15 117.319 0.001 . 1 . . . . . 8 LYS N . 26578 1 13 . 1 . 1 9 9 ILE H H 1 7.553 0.001 . 1 . . . . . 9 ILE H . 26578 1 14 . 1 . 1 9 9 ILE N N 15 119.082 0.001 . 1 . . . . . 9 ILE N . 26578 1 15 . 1 . 1 10 10 PHE H H 1 8.420 0.001 . 1 . . . . . 10 PHE H . 26578 1 16 . 1 . 1 10 10 PHE N N 15 120.609 0.001 . 1 . . . . . 10 PHE N . 26578 1 17 . 1 . 1 11 11 ILE H H 1 8.953 0.001 . 1 . . . . . 11 ILE H . 26578 1 18 . 1 . 1 11 11 ILE N N 15 121.849 0.001 . 1 . . . . . 11 ILE N . 26578 1 19 . 1 . 1 12 12 MET H H 1 7.996 0.001 . 1 . . . . . 12 MET H . 26578 1 20 . 1 . 1 12 12 MET N N 15 117.403 0.001 . 1 . . . . . 12 MET N . 26578 1 21 . 1 . 1 13 13 LYS H H 1 8.546 0.001 . 1 . . . . . 13 LYS H . 26578 1 22 . 1 . 1 13 13 LYS N N 15 112.645 0.001 . 1 . . . . . 13 LYS N . 26578 1 23 . 1 . 1 14 14 CYS H H 1 7.904 0.001 . 1 . . . . . 14 CYS H . 26578 1 24 . 1 . 1 14 14 CYS N N 15 114.418 0.001 . 1 . . . . . 14 CYS N . 26578 1 25 . 1 . 1 15 15 SER H H 1 8.041 0.001 . 1 . . . . . 15 SER H . 26578 1 26 . 1 . 1 15 15 SER N N 15 116.401 0.001 . 1 . . . . . 15 SER N . 26578 1 27 . 1 . 1 16 16 GLN H H 1 9.994 0.001 . 1 . . . . . 16 GLN H . 26578 1 28 . 1 . 1 16 16 GLN HE21 H 1 6.783 0.001 . 1 . . . . . 16 GLN HE21 . 26578 1 29 . 1 . 1 16 16 GLN HE22 H 1 7.477 0.001 . 1 . . . . . 16 GLN HE22 . 26578 1 30 . 1 . 1 16 16 GLN N N 15 122.814 0.001 . 1 . . . . . 16 GLN N . 26578 1 31 . 1 . 1 16 16 GLN NE2 N 15 111.320 0.002 . 1 . . . . . 16 GLN NE2 . 26578 1 32 . 1 . 1 17 17 CYS H H 1 9.397 0.001 . 1 . . . . . 17 CYS H . 26578 1 33 . 1 . 1 17 17 CYS N N 15 113.534 0.001 . 1 . . . . . 17 CYS N . 26578 1 34 . 1 . 1 18 18 HIS H H 1 10.728 0.001 . 1 . . . . . 18 HIS H . 26578 1 35 . 1 . 1 18 18 HIS N N 15 118.287 0.001 . 1 . . . . . 18 HIS N . 26578 1 36 . 1 . 1 19 19 THR H H 1 10.450 0.001 . 1 . . . . . 19 THR H . 26578 1 37 . 1 . 1 19 19 THR N N 15 113.616 0.001 . 1 . . . . . 19 THR N . 26578 1 38 . 1 . 1 20 20 VAL H H 1 8.880 0.001 . 1 . . . . . 20 VAL H . 26578 1 39 . 1 . 1 20 20 VAL N N 15 112.013 0.001 . 1 . . . . . 20 VAL N . 26578 1 40 . 1 . 1 22 22 LYS H H 1 9.031 0.001 . 1 . . . . . 22 LYS H . 26578 1 41 . 1 . 1 22 22 LYS N N 15 126.771 0.001 . 1 . . . . . 22 LYS N . 26578 1 42 . 1 . 1 23 23 GLY H H 1 9.318 0.001 . 1 . . . . . 23 GLY H . 26578 1 43 . 1 . 1 23 23 GLY N N 15 117.787 0.001 . 1 . . . . . 23 GLY N . 26578 1 44 . 1 . 1 24 24 GLY H H 1 8.224 0.001 . 1 . . . . . 24 GLY H . 26578 1 45 . 1 . 1 24 24 GLY N N 15 107.900 0.001 . 1 . . . . . 24 GLY N . 26578 1 46 . 1 . 1 25 25 LYS H H 1 8.801 0.001 . 1 . . . . . 25 LYS H . 26578 1 47 . 1 . 1 25 25 LYS N N 15 118.895 0.001 . 1 . . . . . 25 LYS N . 26578 1 48 . 1 . 1 26 26 HIS H H 1 8.779 0.001 . 1 . . . . . 26 HIS H . 26578 1 49 . 1 . 1 26 26 HIS N N 15 122.060 0.001 . 1 . . . . . 26 HIS N . 26578 1 50 . 1 . 1 27 27 LYS H H 1 8.099 0.001 . 1 . . . . . 27 LYS H . 26578 1 51 . 1 . 1 27 27 LYS N N 15 126.145 0.001 . 1 . . . . . 27 LYS N . 26578 1 52 . 1 . 1 29 29 GLY H H 1 7.193 0.001 . 1 . . . . . 29 GLY H . 26578 1 53 . 1 . 1 29 29 GLY N N 15 103.736 0.001 . 1 . . . . . 29 GLY N . 26578 1 54 . 1 . 1 31 31 ASN H H 1 11.645 0.001 . 1 . . . . . 31 ASN H . 26578 1 55 . 1 . 1 31 31 ASN HD21 H 1 8.078 0.001 . 1 . . . . . 31 ASN HD21 . 26578 1 56 . 1 . 1 31 31 ASN HD22 H 1 8.898 0.001 . 1 . . . . . 31 ASN HD22 . 26578 1 57 . 1 . 1 31 31 ASN N N 15 127.501 0.001 . 1 . . . . . 31 ASN N . 26578 1 58 . 1 . 1 31 31 ASN ND2 N 15 115.345 0.003 . 1 . . . . . 31 ASN ND2 . 26578 1 59 . 1 . 1 32 32 LEU H H 1 9.502 0.001 . 1 . . . . . 32 LEU H . 26578 1 60 . 1 . 1 32 32 LEU N N 15 122.148 0.001 . 1 . . . . . 32 LEU N . 26578 1 61 . 1 . 1 33 33 HIS H H 1 8.119 0.001 . 1 . . . . . 33 HIS H . 26578 1 62 . 1 . 1 33 33 HIS N N 15 120.266 0.001 . 1 . . . . . 33 HIS N . 26578 1 63 . 1 . 1 34 34 GLY H H 1 8.959 0.001 . 1 . . . . . 34 GLY H . 26578 1 64 . 1 . 1 34 34 GLY N N 15 115.097 0.001 . 1 . . . . . 34 GLY N . 26578 1 65 . 1 . 1 35 35 LEU H H 1 7.064 0.001 . 1 . . . . . 35 LEU H . 26578 1 66 . 1 . 1 35 35 LEU N N 15 117.191 0.001 . 1 . . . . . 35 LEU N . 26578 1 67 . 1 . 1 36 36 PHE H H 1 8.643 0.001 . 1 . . . . . 36 PHE H . 26578 1 68 . 1 . 1 36 36 PHE N N 15 112.661 0.001 . 1 . . . . . 36 PHE N . 26578 1 69 . 1 . 1 37 37 GLY H H 1 8.890 0.001 . 1 . . . . . 37 GLY H . 26578 1 70 . 1 . 1 37 37 GLY N N 15 111.176 0.001 . 1 . . . . . 37 GLY N . 26578 1 71 . 1 . 1 38 38 ARG H H 1 8.090 0.001 . 1 . . . . . 38 ARG H . 26578 1 72 . 1 . 1 38 38 ARG N N 15 123.509 0.001 . 1 . . . . . 38 ARG N . 26578 1 73 . 1 . 1 39 39 LYS H H 1 8.079 0.001 . 1 . . . . . 39 LYS H . 26578 1 74 . 1 . 1 39 39 LYS N N 15 122.210 0.001 . 1 . . . . . 39 LYS N . 26578 1 75 . 1 . 1 40 40 THR H H 1 7.532 0.001 . 1 . . . . . 40 THR H . 26578 1 76 . 1 . 1 40 40 THR N N 15 109.882 0.001 . 1 . . . . . 40 THR N . 26578 1 77 . 1 . 1 41 41 GLY H H 1 9.072 0.001 . 1 . . . . . 41 GLY H . 26578 1 78 . 1 . 1 41 41 GLY N N 15 109.591 0.001 . 1 . . . . . 41 GLY N . 26578 1 79 . 1 . 1 42 42 GLN H H 1 7.717 0.001 . 1 . . . . . 42 GLN H . 26578 1 80 . 1 . 1 42 42 GLN HE21 H 1 6.812 0.001 . 1 . . . . . 42 GLN HE21 . 26578 1 81 . 1 . 1 42 42 GLN HE22 H 1 7.336 0.001 . 1 . . . . . 42 GLN HE22 . 26578 1 82 . 1 . 1 42 42 GLN N N 15 113.265 0.001 . 1 . . . . . 42 GLN N . 26578 1 83 . 1 . 1 42 42 GLN NE2 N 15 113.602 0.002 . 1 . . . . . 42 GLN NE2 . 26578 1 84 . 1 . 1 43 43 ALA H H 1 8.130 0.001 . 1 . . . . . 43 ALA H . 26578 1 85 . 1 . 1 43 43 ALA N N 15 125.763 0.001 . 1 . . . . . 43 ALA N . 26578 1 86 . 1 . 1 46 46 TYR H H 1 6.800 0.001 . 1 . . . . . 46 TYR H . 26578 1 87 . 1 . 1 46 46 TYR N N 15 119.428 0.001 . 1 . . . . . 46 TYR N . 26578 1 88 . 1 . 1 47 47 SER H H 1 6.574 0.001 . 1 . . . . . 47 SER H . 26578 1 89 . 1 . 1 47 47 SER N N 15 122.703 0.001 . 1 . . . . . 47 SER N . 26578 1 90 . 1 . 1 48 48 TYR H H 1 7.554 0.001 . 1 . . . . . 48 TYR H . 26578 1 91 . 1 . 1 48 48 TYR N N 15 124.680 0.001 . 1 . . . . . 48 TYR N . 26578 1 92 . 1 . 1 49 49 THR H H 1 9.618 0.001 . 1 . . . . . 49 THR H . 26578 1 93 . 1 . 1 49 49 THR N N 15 112.929 0.001 . 1 . . . . . 49 THR N . 26578 1 94 . 1 . 1 50 50 ALA H H 1 8.602 0.001 . 1 . . . . . 50 ALA H . 26578 1 95 . 1 . 1 50 50 ALA N N 15 125.006 0.001 . 1 . . . . . 50 ALA N . 26578 1 96 . 1 . 1 51 51 ALA H H 1 7.885 0.001 . 1 . . . . . 51 ALA H . 26578 1 97 . 1 . 1 51 51 ALA N N 15 117.850 0.001 . 1 . . . . . 51 ALA N . 26578 1 98 . 1 . 1 52 52 ASN H H 1 8.505 0.001 . 1 . . . . . 52 ASN H . 26578 1 99 . 1 . 1 52 52 ASN HD21 H 1 7.277 0.001 . 1 . . . . . 52 ASN HD21 . 26578 1 100 . 1 . 1 52 52 ASN HD22 H 1 7.694 0.001 . 1 . . . . . 52 ASN HD22 . 26578 1 101 . 1 . 1 52 52 ASN N N 15 117.316 0.001 . 1 . . . . . 52 ASN N . 26578 1 102 . 1 . 1 52 52 ASN ND2 N 15 109.567 0.001 . 1 . . . . . 52 ASN ND2 . 26578 1 103 . 1 . 1 53 53 LYS H H 1 8.509 0.001 . 1 . . . . . 53 LYS H . 26578 1 104 . 1 . 1 53 53 LYS N N 15 121.240 0.001 . 1 . . . . . 53 LYS N . 26578 1 105 . 1 . 1 54 54 ASN H H 1 8.201 0.001 . 1 . . . . . 54 ASN H . 26578 1 106 . 1 . 1 54 54 ASN HD21 H 1 6.897 0.001 . 1 . . . . . 54 ASN HD21 . 26578 1 107 . 1 . 1 54 54 ASN HD22 H 1 7.427 0.001 . 1 . . . . . 54 ASN HD22 . 26578 1 108 . 1 . 1 54 54 ASN N N 15 113.081 0.001 . 1 . . . . . 54 ASN N . 26578 1 109 . 1 . 1 54 54 ASN ND2 N 15 112.161 0.001 . 1 . . . . . 54 ASN ND2 . 26578 1 110 . 1 . 1 55 55 LYS H H 1 6.987 0.001 . 1 . . . . . 55 LYS H . 26578 1 111 . 1 . 1 55 55 LYS N N 15 121.530 0.001 . 1 . . . . . 55 LYS N . 26578 1 112 . 1 . 1 56 56 GLY H H 1 7.752 0.001 . 1 . . . . . 56 GLY H . 26578 1 113 . 1 . 1 56 56 GLY N N 15 103.167 0.001 . 1 . . . . . 56 GLY N . 26578 1 114 . 1 . 1 57 57 ILE H H 1 6.463 0.001 . 1 . . . . . 57 ILE H . 26578 1 115 . 1 . 1 57 57 ILE N N 15 110.660 0.001 . 1 . . . . . 57 ILE N . 26578 1 116 . 1 . 1 58 58 ILE H H 1 8.164 0.001 . 1 . . . . . 58 ILE H . 26578 1 117 . 1 . 1 58 58 ILE N N 15 119.269 0.001 . 1 . . . . . 58 ILE N . 26578 1 118 . 1 . 1 59 59 TRP H H 1 8.643 0.001 . 1 . . . . . 59 TRP H . 26578 1 119 . 1 . 1 59 59 TRP HE1 H 1 9.497 0.001 . 1 . . . . . 59 TRP HE1 . 26578 1 120 . 1 . 1 59 59 TRP N N 15 130.596 0.001 . 1 . . . . . 59 TRP N . 26578 1 121 . 1 . 1 59 59 TRP NE1 N 15 125.473 0.001 . 1 . . . . . 59 TRP NE1 . 26578 1 122 . 1 . 1 60 60 GLY H H 1 7.682 0.001 . 1 . . . . . 60 GLY H . 26578 1 123 . 1 . 1 60 60 GLY N N 15 111.288 0.001 . 1 . . . . . 60 GLY N . 26578 1 124 . 1 . 1 61 61 GLU H H 1 9.540 0.001 . 1 . . . . . 61 GLU H . 26578 1 125 . 1 . 1 61 61 GLU N N 15 120.579 0.001 . 1 . . . . . 61 GLU N . 26578 1 126 . 1 . 1 62 62 ASP H H 1 8.335 0.001 . 1 . . . . . 62 ASP H . 26578 1 127 . 1 . 1 62 62 ASP N N 15 115.286 0.001 . 1 . . . . . 62 ASP N . 26578 1 128 . 1 . 1 63 63 THR H H 1 8.227 0.001 . 1 . . . . . 63 THR H . 26578 1 129 . 1 . 1 63 63 THR N N 15 113.073 0.001 . 1 . . . . . 63 THR N . 26578 1 130 . 1 . 1 64 64 LEU H H 1 8.513 0.001 . 1 . . . . . 64 LEU H . 26578 1 131 . 1 . 1 64 64 LEU N N 15 120.582 0.001 . 1 . . . . . 64 LEU N . 26578 1 132 . 1 . 1 65 65 MET H H 1 7.668 0.001 . 1 . . . . . 65 MET H . 26578 1 133 . 1 . 1 65 65 MET N N 15 118.953 0.001 . 1 . . . . . 65 MET N . 26578 1 134 . 1 . 1 66 66 GLU H H 1 6.796 0.001 . 1 . . . . . 66 GLU H . 26578 1 135 . 1 . 1 66 66 GLU N N 15 117.722 0.001 . 1 . . . . . 66 GLU N . 26578 1 136 . 1 . 1 67 67 TYR H H 1 8.099 0.001 . 1 . . . . . 67 TYR H . 26578 1 137 . 1 . 1 67 67 TYR N N 15 121.308 0.001 . 1 . . . . . 67 TYR N . 26578 1 138 . 1 . 1 68 68 LEU H H 1 8.007 0.001 . 1 . . . . . 68 LEU H . 26578 1 139 . 1 . 1 68 68 LEU N N 15 110.992 0.001 . 1 . . . . . 68 LEU N . 26578 1 140 . 1 . 1 69 69 GLU H H 1 6.747 0.001 . 1 . . . . . 69 GLU H . 26578 1 141 . 1 . 1 69 69 GLU N N 15 118.836 0.001 . 1 . . . . . 69 GLU N . 26578 1 142 . 1 . 1 70 70 ASN H H 1 6.638 0.001 . 1 . . . . . 70 ASN H . 26578 1 143 . 1 . 1 70 70 ASN HD21 H 1 6.904 0.001 . 1 . . . . . 70 ASN HD21 . 26578 1 144 . 1 . 1 70 70 ASN HD22 H 1 7.881 0.001 . 1 . . . . . 70 ASN HD22 . 26578 1 145 . 1 . 1 70 70 ASN N N 15 105.368 0.001 . 1 . . . . . 70 ASN N . 26578 1 146 . 1 . 1 70 70 ASN ND2 N 15 112.340 0.001 . 1 . . . . . 70 ASN ND2 . 26578 1 147 . 1 . 1 72 72 LYS H H 1 9.327 0.001 . 1 . . . . . 72 LYS H . 26578 1 148 . 1 . 1 72 72 LYS N N 15 115.751 0.001 . 1 . . . . . 72 LYS N . 26578 1 149 . 1 . 1 73 73 LYS H H 1 7.773 0.001 . 1 . . . . . 73 LYS H . 26578 1 150 . 1 . 1 73 73 LYS N N 15 119.376 0.001 . 1 . . . . . 73 LYS N . 26578 1 151 . 1 . 1 74 74 TYR H H 1 8.089 0.001 . 1 . . . . . 74 TYR H . 26578 1 152 . 1 . 1 74 74 TYR N N 15 120.499 0.001 . 1 . . . . . 74 TYR N . 26578 1 153 . 1 . 1 75 75 ILE H H 1 9.377 0.001 . 1 . . . . . 75 ILE H . 26578 1 154 . 1 . 1 75 75 ILE N N 15 114.999 0.001 . 1 . . . . . 75 ILE N . 26578 1 155 . 1 . 1 77 77 GLY H H 1 9.140 0.001 . 1 . . . . . 77 GLY H . 26578 1 156 . 1 . 1 77 77 GLY N N 15 112.120 0.001 . 1 . . . . . 77 GLY N . 26578 1 157 . 1 . 1 78 78 THR H H 1 9.001 0.001 . 1 . . . . . 78 THR H . 26578 1 158 . 1 . 1 78 78 THR N N 15 115.318 0.001 . 1 . . . . . 78 THR N . 26578 1 159 . 1 . 1 79 79 LYS H H 1 8.233 0.001 . 1 . . . . . 79 LYS H . 26578 1 160 . 1 . 1 79 79 LYS N N 15 123.039 0.001 . 1 . . . . . 79 LYS N . 26578 1 161 . 1 . 1 80 80 MET H H 1 9.174 0.001 . 1 . . . . . 80 MET H . 26578 1 162 . 1 . 1 80 80 MET N N 15 123.254 0.001 . 1 . . . . . 80 MET N . 26578 1 163 . 1 . 1 81 81 ILE H H 1 8.440 0.001 . 1 . . . . . 81 ILE H . 26578 1 164 . 1 . 1 81 81 ILE N N 15 135.513 0.001 . 1 . . . . . 81 ILE N . 26578 1 165 . 1 . 1 82 82 PHE H H 1 9.031 0.001 . 1 . . . . . 82 PHE H . 26578 1 166 . 1 . 1 82 82 PHE N N 15 126.565 0.001 . 1 . . . . . 82 PHE N . 26578 1 167 . 1 . 1 83 83 VAL H H 1 8.003 0.001 . 1 . . . . . 83 VAL H . 26578 1 168 . 1 . 1 83 83 VAL N N 15 127.001 0.001 . 1 . . . . . 83 VAL N . 26578 1 169 . 1 . 1 85 85 ILE H H 1 7.870 0.001 . 1 . . . . . 85 ILE H . 26578 1 170 . 1 . 1 85 85 ILE N N 15 120.180 0.001 . 1 . . . . . 85 ILE N . 26578 1 171 . 1 . 1 86 86 LYS H H 1 8.232 0.001 . 1 . . . . . 86 LYS H . 26578 1 172 . 1 . 1 86 86 LYS N N 15 127.669 0.001 . 1 . . . . . 86 LYS N . 26578 1 173 . 1 . 1 87 87 LYS H H 1 8.188 0.001 . 1 . . . . . 87 LYS H . 26578 1 174 . 1 . 1 87 87 LYS N N 15 120.154 0.001 . 1 . . . . . 87 LYS N . 26578 1 175 . 1 . 1 88 88 LYS H H 1 8.734 0.001 . 1 . . . . . 88 LYS H . 26578 1 176 . 1 . 1 88 88 LYS N N 15 129.999 0.001 . 1 . . . . . 88 LYS N . 26578 1 177 . 1 . 1 89 89 GLU H H 1 9.281 0.001 . 1 . . . . . 89 GLU H . 26578 1 178 . 1 . 1 89 89 GLU N N 15 117.939 0.001 . 1 . . . . . 89 GLU N . 26578 1 179 . 1 . 1 90 90 GLU H H 1 6.175 0.001 . 1 . . . . . 90 GLU H . 26578 1 180 . 1 . 1 90 90 GLU N N 15 116.411 0.001 . 1 . . . . . 90 GLU N . 26578 1 181 . 1 . 1 91 91 ARG H H 1 7.136 0.001 . 1 . . . . . 91 ARG H . 26578 1 182 . 1 . 1 91 91 ARG N N 15 117.033 0.001 . 1 . . . . . 91 ARG N . 26578 1 183 . 1 . 1 92 92 ALA H H 1 8.350 0.001 . 1 . . . . . 92 ALA H . 26578 1 184 . 1 . 1 92 92 ALA N N 15 119.991 0.001 . 1 . . . . . 92 ALA N . 26578 1 185 . 1 . 1 93 93 ASP H H 1 8.034 0.001 . 1 . . . . . 93 ASP H . 26578 1 186 . 1 . 1 93 93 ASP N N 15 122.088 0.001 . 1 . . . . . 93 ASP N . 26578 1 187 . 1 . 1 94 94 LEU H H 1 7.783 0.001 . 1 . . . . . 94 LEU H . 26578 1 188 . 1 . 1 94 94 LEU N N 15 120.831 0.001 . 1 . . . . . 94 LEU N . 26578 1 189 . 1 . 1 95 95 ILE H H 1 8.453 0.001 . 1 . . . . . 95 ILE H . 26578 1 190 . 1 . 1 95 95 ILE N N 15 119.688 0.001 . 1 . . . . . 95 ILE N . 26578 1 191 . 1 . 1 96 96 ALA H H 1 7.731 0.001 . 1 . . . . . 96 ALA H . 26578 1 192 . 1 . 1 96 96 ALA N N 15 122.619 0.001 . 1 . . . . . 96 ALA N . 26578 1 193 . 1 . 1 97 97 TYR H H 1 7.869 0.001 . 1 . . . . . 97 TYR H . 26578 1 194 . 1 . 1 97 97 TYR N N 15 117.863 0.001 . 1 . . . . . 97 TYR N . 26578 1 195 . 1 . 1 98 98 LEU H H 1 8.706 0.001 . 1 . . . . . 98 LEU H . 26578 1 196 . 1 . 1 98 98 LEU N N 15 118.879 0.001 . 1 . . . . . 98 LEU N . 26578 1 197 . 1 . 1 99 99 LYS H H 1 8.794 0.001 . 1 . . . . . 99 LYS H . 26578 1 198 . 1 . 1 99 99 LYS N N 15 123.829 0.001 . 1 . . . . . 99 LYS N . 26578 1 199 . 1 . 1 100 100 LYS H H 1 6.696 0.001 . 1 . . . . . 100 LYS H . 26578 1 200 . 1 . 1 100 100 LYS N N 15 116.963 0.001 . 1 . . . . . 100 LYS N . 26578 1 201 . 1 . 1 101 101 ALA H H 1 8.594 0.001 . 1 . . . . . 101 ALA H . 26578 1 202 . 1 . 1 101 101 ALA N N 15 119.590 0.001 . 1 . . . . . 101 ALA N . 26578 1 203 . 1 . 1 102 102 THR H H 1 7.882 0.001 . 1 . . . . . 102 THR H . 26578 1 204 . 1 . 1 102 102 THR N N 15 102.092 0.001 . 1 . . . . . 102 THR N . 26578 1 205 . 1 . 1 103 103 ASN H H 1 7.087 0.001 . 1 . . . . . 103 ASN H . 26578 1 206 . 1 . 1 103 103 ASN HD21 H 1 6.364 0.001 . 1 . . . . . 103 ASN HD21 . 26578 1 207 . 1 . 1 103 103 ASN HD22 H 1 7.852 0.001 . 1 . . . . . 103 ASN HD22 . 26578 1 208 . 1 . 1 103 103 ASN N N 15 118.492 0.001 . 1 . . . . . 103 ASN N . 26578 1 209 . 1 . 1 103 103 ASN ND2 N 15 114.131 0.001 . 1 . . . . . 103 ASN ND2 . 26578 1 210 . 1 . 1 104 104 GLU H H 1 7.372 0.001 . 1 . . . . . 104 GLU H . 26578 1 211 . 1 . 1 104 104 GLU N N 15 125.094 0.001 . 1 . . . . . 104 GLU N . 26578 1 stop_ save_