################################### # 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 18828 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $AtCc_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _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' . . . 18828 1 2 '3D 1H-15N NOESY' . . . 18828 1 3 '3D 1H-15N TOCSY' . . . 18828 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 PHE H H 1 8.823 0.001 . 1 . . . . 3 PHE H . 18828 1 2 . 1 1 3 3 PHE N N 15 121.960 0.001 . 1 . . . . 3 PHE N . 18828 1 3 . 1 1 4 4 ASP H H 1 7.889 0.001 . 1 . . . . 4 ASP H . 18828 1 4 . 1 1 4 4 ASP N N 15 118.261 0.001 . 1 . . . . 4 ASP N . 18828 1 5 . 1 1 5 5 GLU H H 1 7.343 0.001 . 1 . . . . 5 GLU H . 18828 1 6 . 1 1 5 5 GLU N N 15 116.346 0.001 . 1 . . . . 5 GLU N . 18828 1 7 . 1 1 6 6 ALA H H 1 7.301 0.001 . 1 . . . . 6 ALA H . 18828 1 8 . 1 1 6 6 ALA N N 15 125.155 0.001 . 1 . . . . 6 ALA N . 18828 1 9 . 1 1 9 9 GLY H H 1 8.592 0.001 . 1 . . . . 9 GLY H . 18828 1 10 . 1 1 9 9 GLY N N 15 110.759 0.001 . 1 . . . . 9 GLY N . 18828 1 11 . 1 1 10 10 ASN H H 1 10.166 0.001 . 1 . . . . 10 ASN H . 18828 1 12 . 1 1 10 10 ASN HD21 H 1 7.104 0.001 . 1 . . . . 10 ASN HD21 . 18828 1 13 . 1 1 10 10 ASN HD22 H 1 7.903 0.001 . 1 . . . . 10 ASN HD22 . 18828 1 14 . 1 1 10 10 ASN N N 15 124.108 0.001 . 1 . . . . 10 ASN N . 18828 1 15 . 1 1 10 10 ASN ND2 N 15 114.007 0.005 . 1 . . . . 10 ASN ND2 . 18828 1 16 . 1 1 12 12 LYS H H 1 7.839 0.001 . 1 . . . . 12 LYS H . 18828 1 17 . 1 1 12 12 LYS N N 15 119.662 0.001 . 1 . . . . 12 LYS N . 18828 1 18 . 1 1 13 13 ALA H H 1 7.098 0.001 . 1 . . . . 13 ALA H . 18828 1 19 . 1 1 13 13 ALA N N 15 122.999 0.001 . 1 . . . . 13 ALA N . 18828 1 20 . 1 1 14 14 GLY H H 1 8.518 0.001 . 1 . . . . 14 GLY H . 18828 1 21 . 1 1 14 14 GLY N N 15 106.441 0.001 . 1 . . . . 14 GLY N . 18828 1 22 . 1 1 15 15 GLU H H 1 7.988 0.001 . 1 . . . . 15 GLU H . 18828 1 23 . 1 1 15 15 GLU N N 15 124.686 0.001 . 1 . . . . 15 GLU N . 18828 1 24 . 1 1 16 16 LYS H H 1 6.744 0.001 . 1 . . . . 16 LYS H . 18828 1 25 . 1 1 16 16 LYS N N 15 117.355 0.001 . 1 . . . . 16 LYS N . 18828 1 26 . 1 1 17 17 ILE H H 1 7.468 0.001 . 1 . . . . 17 ILE H . 18828 1 27 . 1 1 17 17 ILE N N 15 120.342 0.001 . 1 . . . . 17 ILE N . 18828 1 28 . 1 1 18 18 PHE H H 1 8.789 0.001 . 1 . . . . 18 PHE H . 18828 1 29 . 1 1 18 18 PHE N N 15 121.409 0.001 . 1 . . . . 18 PHE N . 18828 1 30 . 1 1 19 19 ARG H H 1 8.667 0.001 . 1 . . . . 19 ARG H . 18828 1 31 . 1 1 19 19 ARG N N 15 118.614 0.001 . 1 . . . . 19 ARG N . 18828 1 32 . 1 1 20 20 THR H H 1 7.736 0.001 . 1 . . . . 20 THR H . 18828 1 33 . 1 1 20 20 THR N N 15 108.909 0.001 . 1 . . . . 20 THR N . 18828 1 34 . 1 1 21 21 LYS H H 1 8.840 0.001 . 1 . . . . 21 LYS H . 18828 1 35 . 1 1 21 21 LYS N N 15 117.805 0.001 . 1 . . . . 21 LYS N . 18828 1 36 . 1 1 22 22 CYS H H 1 8.013 0.001 . 1 . . . . 22 CYS H . 18828 1 37 . 1 1 22 22 CYS N N 15 115.392 0.001 . 1 . . . . 22 CYS N . 18828 1 38 . 1 1 23 23 ALA H H 1 7.291 0.001 . 1 . . . . 23 ALA H . 18828 1 39 . 1 1 23 23 ALA N N 15 120.944 0.001 . 1 . . . . 23 ALA N . 18828 1 40 . 1 1 24 24 GLN H H 1 8.818 0.001 . 1 . . . . 24 GLN H . 18828 1 41 . 1 1 24 24 GLN HE21 H 1 6.937 0.001 . 1 . . . . 24 GLN HE21 . 18828 1 42 . 1 1 24 24 GLN HE22 H 1 7.578 0.001 . 1 . . . . 24 GLN HE22 . 18828 1 43 . 1 1 24 24 GLN N N 15 115.860 0.001 . 1 . . . . 24 GLN N . 18828 1 44 . 1 1 24 24 GLN NE2 N 15 111.441 0.004 . 1 . . . . 24 GLN NE2 . 18828 1 45 . 1 1 25 25 CYS H H 1 6.789 0.001 . 1 . . . . 25 CYS H . 18828 1 46 . 1 1 25 25 CYS N N 15 113.172 0.001 . 1 . . . . 25 CYS N . 18828 1 47 . 1 1 26 26 HIS H H 1 6.256 0.001 . 1 . . . . 26 HIS H . 18828 1 48 . 1 1 26 26 HIS HD1 H 1 9.492 0.001 . 1 . . . . 26 HIS HD1 . 18828 1 49 . 1 1 26 26 HIS N N 15 113.816 0.001 . 1 . . . . 26 HIS N . 18828 1 50 . 1 1 26 26 HIS ND1 N 15 129.797 0.001 . 1 . . . . 26 HIS ND1 . 18828 1 51 . 1 1 27 27 THR H H 1 7.234 0.001 . 1 . . . . 27 THR H . 18828 1 52 . 1 1 27 27 THR N N 15 109.480 0.001 . 1 . . . . 27 THR N . 18828 1 53 . 1 1 28 28 VAL H H 1 7.763 0.001 . 1 . . . . 28 VAL H . 18828 1 54 . 1 1 28 28 VAL N N 15 111.233 0.001 . 1 . . . . 28 VAL N . 18828 1 55 . 1 1 29 29 GLU H H 1 8.107 0.001 . 1 . . . . 29 GLU H . 18828 1 56 . 1 1 29 29 GLU N N 15 120.358 0.001 . 1 . . . . 29 GLU N . 18828 1 57 . 1 1 30 30 LYS H H 1 8.924 0.001 . 1 . . . . 30 LYS H . 18828 1 58 . 1 1 30 30 LYS N N 15 127.085 0.001 . 1 . . . . 30 LYS N . 18828 1 59 . 1 1 31 31 GLY H H 1 9.057 0.001 . 1 . . . . 31 GLY H . 18828 1 60 . 1 1 31 31 GLY N N 15 115.424 0.001 . 1 . . . . 31 GLY N . 18828 1 61 . 1 1 32 32 ALA H H 1 7.084 0.001 . 1 . . . . 32 ALA H . 18828 1 62 . 1 1 32 32 ALA N N 15 120.697 0.001 . 1 . . . . 32 ALA N . 18828 1 63 . 1 1 33 33 GLY H H 1 8.085 0.001 . 1 . . . . 33 GLY H . 18828 1 64 . 1 1 33 33 GLY N N 15 105.141 0.001 . 1 . . . . 33 GLY N . 18828 1 65 . 1 1 34 34 HIS H H 1 8.198 0.001 . 1 . . . . 34 HIS H . 18828 1 66 . 1 1 34 34 HIS N N 15 119.674 0.001 . 1 . . . . 34 HIS N . 18828 1 67 . 1 1 35 35 LYS H H 1 7.556 0.001 . 1 . . . . 35 LYS H . 18828 1 68 . 1 1 35 35 LYS N N 15 125.179 0.001 . 1 . . . . 35 LYS N . 18828 1 69 . 1 1 36 36 GLN H H 1 8.272 0.001 . 1 . . . . 36 GLN H . 18828 1 70 . 1 1 36 36 GLN HE21 H 1 7.155 0.001 . 1 . . . . 36 GLN HE21 . 18828 1 71 . 1 1 36 36 GLN HE22 H 1 7.724 0.001 . 1 . . . . 36 GLN HE22 . 18828 1 72 . 1 1 36 36 GLN N N 15 122.946 0.001 . 1 . . . . 36 GLN N . 18828 1 73 . 1 1 36 36 GLN NE2 N 15 111.240 0.001 . 1 . . . . 36 GLN NE2 . 18828 1 74 . 1 1 37 37 GLY H H 1 7.647 0.001 . 1 . . . . 37 GLY H . 18828 1 75 . 1 1 37 37 GLY N N 15 104.501 0.001 . 1 . . . . 37 GLY N . 18828 1 76 . 1 1 39 39 ASN H H 1 10.862 0.001 . 1 . . . . 39 ASN H . 18828 1 77 . 1 1 39 39 ASN HD21 H 1 7.101 0.001 . 1 . . . . 39 ASN HD21 . 18828 1 78 . 1 1 39 39 ASN HD22 H 1 7.671 0.001 . 1 . . . . 39 ASN HD22 . 18828 1 79 . 1 1 39 39 ASN N N 15 124.542 0.001 . 1 . . . . 39 ASN N . 18828 1 80 . 1 1 39 39 ASN ND2 N 15 115.206 0.004 . 1 . . . . 39 ASN ND2 . 18828 1 81 . 1 1 40 40 LEU H H 1 8.080 0.001 . 1 . . . . 40 LEU H . 18828 1 82 . 1 1 40 40 LEU N N 15 122.870 0.001 . 1 . . . . 40 LEU N . 18828 1 83 . 1 1 41 41 ASN H H 1 7.750 0.001 . 1 . . . . 41 ASN H . 18828 1 84 . 1 1 41 41 ASN HD21 H 1 6.858 0.001 . 1 . . . . 41 ASN HD21 . 18828 1 85 . 1 1 41 41 ASN HD22 H 1 7.742 0.001 . 1 . . . . 41 ASN HD22 . 18828 1 86 . 1 1 41 41 ASN N N 15 119.715 0.001 . 1 . . . . 41 ASN N . 18828 1 87 . 1 1 41 41 ASN ND2 N 15 112.930 0.008 . 1 . . . . 41 ASN ND2 . 18828 1 88 . 1 1 42 42 GLY H H 1 9.763 0.001 . 1 . . . . 42 GLY H . 18828 1 89 . 1 1 42 42 GLY N N 15 115.383 0.001 . 1 . . . . 42 GLY N . 18828 1 90 . 1 1 43 43 LEU H H 1 7.055 0.001 . 1 . . . . 43 LEU H . 18828 1 91 . 1 1 43 43 LEU N N 15 117.700 0.001 . 1 . . . . 43 LEU N . 18828 1 92 . 1 1 44 44 PHE H H 1 8.287 0.001 . 1 . . . . 44 PHE H . 18828 1 93 . 1 1 44 44 PHE N N 15 113.030 0.001 . 1 . . . . 44 PHE N . 18828 1 94 . 1 1 45 45 GLY H H 1 9.374 0.001 . 1 . . . . 45 GLY H . 18828 1 95 . 1 1 45 45 GLY N N 15 114.443 0.001 . 1 . . . . 45 GLY N . 18828 1 96 . 1 1 46 46 ARG H H 1 8.191 0.001 . 1 . . . . 46 ARG H . 18828 1 97 . 1 1 46 46 ARG HE H 1 6.954 0.001 . 1 . . . . 46 ARG HE . 18828 1 98 . 1 1 46 46 ARG N N 15 123.275 0.001 . 1 . . . . 46 ARG N . 18828 1 99 . 1 1 46 46 ARG NE N 15 121.139 0.001 . 1 . . . . 46 ARG NE . 18828 1 100 . 1 1 47 47 GLN H H 1 8.419 0.001 . 1 . . . . 47 GLN H . 18828 1 101 . 1 1 47 47 GLN HE21 H 1 6.813 0.001 . 1 . . . . 47 GLN HE21 . 18828 1 102 . 1 1 47 47 GLN HE22 H 1 7.714 0.001 . 1 . . . . 47 GLN HE22 . 18828 1 103 . 1 1 47 47 GLN N N 15 123.859 0.001 . 1 . . . . 47 GLN N . 18828 1 104 . 1 1 47 47 GLN NE2 N 15 113.813 0.004 . 1 . . . . 47 GLN NE2 . 18828 1 105 . 1 1 48 48 SER H H 1 8.608 0.001 . 1 . . . . 48 SER H . 18828 1 106 . 1 1 48 48 SER N N 15 129.167 0.001 . 1 . . . . 48 SER N . 18828 1 107 . 1 1 49 49 GLY H H 1 7.671 0.001 . 1 . . . . 49 GLY H . 18828 1 108 . 1 1 49 49 GLY N N 15 103.843 0.001 . 1 . . . . 49 GLY N . 18828 1 109 . 1 1 50 50 THR H H 1 7.534 0.001 . 1 . . . . 50 THR H . 18828 1 110 . 1 1 50 50 THR N N 15 113.113 0.001 . 1 . . . . 50 THR N . 18828 1 111 . 1 1 51 51 THR H H 1 7.891 0.001 . 1 . . . . 51 THR H . 18828 1 112 . 1 1 51 51 THR N N 15 123.899 0.001 . 1 . . . . 51 THR N . 18828 1 113 . 1 1 53 53 GLY H H 1 8.947 0.001 . 1 . . . . 53 GLY H . 18828 1 114 . 1 1 53 53 GLY N N 15 110.195 0.001 . 1 . . . . 53 GLY N . 18828 1 115 . 1 1 54 54 TYR H H 1 6.988 0.001 . 1 . . . . 54 TYR H . 18828 1 116 . 1 1 54 54 TYR N N 15 119.351 0.001 . 1 . . . . 54 TYR N . 18828 1 117 . 1 1 55 55 SER H H 1 7.144 0.001 . 1 . . . . 55 SER H . 18828 1 118 . 1 1 55 55 SER N N 15 123.280 0.001 . 1 . . . . 55 SER N . 18828 1 119 . 1 1 56 56 TYR H H 1 8.088 0.001 . 1 . . . . 56 TYR H . 18828 1 120 . 1 1 56 56 TYR N N 15 125.725 0.001 . 1 . . . . 56 TYR N . 18828 1 121 . 1 1 57 57 SER H H 1 10.898 0.001 . 1 . . . . 57 SER H . 18828 1 122 . 1 1 57 57 SER N N 15 118.911 0.001 . 1 . . . . 57 SER N . 18828 1 123 . 1 1 58 58 ALA H H 1 8.842 0.001 . 1 . . . . 58 ALA H . 18828 1 124 . 1 1 58 58 ALA N N 15 123.986 0.001 . 1 . . . . 58 ALA N . 18828 1 125 . 1 1 59 59 ALA H H 1 8.028 0.001 . 1 . . . . 59 ALA H . 18828 1 126 . 1 1 59 59 ALA N N 15 119.436 0.001 . 1 . . . . 59 ALA N . 18828 1 127 . 1 1 60 60 ASN H H 1 8.346 0.001 . 1 . . . . 60 ASN H . 18828 1 128 . 1 1 60 60 ASN HD21 H 1 7.455 0.001 . 1 . . . . 60 ASN HD21 . 18828 1 129 . 1 1 60 60 ASN HD22 H 1 8.695 0.001 . 1 . . . . 60 ASN HD22 . 18828 1 130 . 1 1 60 60 ASN N N 15 118.629 0.001 . 1 . . . . 60 ASN N . 18828 1 131 . 1 1 60 60 ASN ND2 N 15 107.218 0.001 . 1 . . . . 60 ASN ND2 . 18828 1 132 . 1 1 61 61 LYS H H 1 7.765 0.001 . 1 . . . . 61 LYS H . 18828 1 133 . 1 1 61 61 LYS N N 15 117.955 0.001 . 1 . . . . 61 LYS N . 18828 1 134 . 1 1 62 62 SER H H 1 8.599 0.001 . 1 . . . . 62 SER H . 18828 1 135 . 1 1 62 62 SER N N 15 113.957 0.001 . 1 . . . . 62 SER N . 18828 1 136 . 1 1 63 63 MET H H 1 7.513 0.001 . 1 . . . . 63 MET H . 18828 1 137 . 1 1 63 63 MET N N 15 120.042 0.001 . 1 . . . . 63 MET N . 18828 1 138 . 1 1 64 64 ALA H H 1 6.949 0.001 . 1 . . . . 64 ALA H . 18828 1 139 . 1 1 64 64 ALA N N 15 118.102 0.001 . 1 . . . . 64 ALA N . 18828 1 140 . 1 1 65 65 VAL H H 1 7.732 0.001 . 1 . . . . 65 VAL H . 18828 1 141 . 1 1 65 65 VAL N N 15 117.485 0.001 . 1 . . . . 65 VAL N . 18828 1 142 . 1 1 66 66 ASN H H 1 8.479 0.001 . 1 . . . . 66 ASN H . 18828 1 143 . 1 1 66 66 ASN HD21 H 1 6.718 0.001 . 1 . . . . 66 ASN HD21 . 18828 1 144 . 1 1 66 66 ASN HD22 H 1 7.278 0.001 . 1 . . . . 66 ASN HD22 . 18828 1 145 . 1 1 66 66 ASN N N 15 125.014 0.001 . 1 . . . . 66 ASN N . 18828 1 146 . 1 1 66 66 ASN ND2 N 15 112.162 0.003 . 1 . . . . 66 ASN ND2 . 18828 1 147 . 1 1 67 67 TRP H H 1 9.826 0.001 . 1 . . . . 67 TRP H . 18828 1 148 . 1 1 67 67 TRP HE1 H 1 9.619 0.001 . 1 . . . . 67 TRP HE1 . 18828 1 149 . 1 1 67 67 TRP N N 15 128.100 0.001 . 1 . . . . 67 TRP N . 18828 1 150 . 1 1 67 67 TRP NE1 N 15 125.481 0.001 . 1 . . . . 67 TRP NE1 . 18828 1 151 . 1 1 68 68 GLU H H 1 7.986 0.001 . 1 . . . . 68 GLU H . 18828 1 152 . 1 1 68 68 GLU N N 15 118.330 0.001 . 1 . . . . 68 GLU N . 18828 1 153 . 1 1 69 69 GLU H H 1 10.624 0.001 . 1 . . . . 69 GLU H . 18828 1 154 . 1 1 69 69 GLU N N 15 122.306 0.001 . 1 . . . . 69 GLU N . 18828 1 155 . 1 1 70 70 LYS H H 1 8.750 0.001 . 1 . . . . 70 LYS H . 18828 1 156 . 1 1 70 70 LYS N N 15 113.872 0.001 . 1 . . . . 70 LYS N . 18828 1 157 . 1 1 71 71 THR H H 1 7.318 0.001 . 1 . . . . 71 THR H . 18828 1 158 . 1 1 71 71 THR N N 15 108.998 0.001 . 1 . . . . 71 THR N . 18828 1 159 . 1 1 72 72 LEU H H 1 8.775 0.001 . 1 . . . . 72 LEU H . 18828 1 160 . 1 1 72 72 LEU N N 15 121.861 0.001 . 1 . . . . 72 LEU N . 18828 1 161 . 1 1 73 73 TYR H H 1 8.297 0.001 . 1 . . . . 73 TYR H . 18828 1 162 . 1 1 73 73 TYR N N 15 119.521 0.001 . 1 . . . . 73 TYR N . 18828 1 163 . 1 1 74 74 ASP H H 1 6.946 0.001 . 1 . . . . 74 ASP H . 18828 1 164 . 1 1 74 74 ASP N N 15 117.056 0.001 . 1 . . . . 74 ASP N . 18828 1 165 . 1 1 75 75 TYR H H 1 8.181 0.001 . 1 . . . . 75 TYR H . 18828 1 166 . 1 1 75 75 TYR N N 15 122.818 0.001 . 1 . . . . 75 TYR N . 18828 1 167 . 1 1 76 76 LEU H H 1 8.066 0.001 . 1 . . . . 76 LEU H . 18828 1 168 . 1 1 76 76 LEU N N 15 110.802 0.001 . 1 . . . . 76 LEU N . 18828 1 169 . 1 1 77 77 LEU H H 1 6.478 0.001 . 1 . . . . 77 LEU H . 18828 1 170 . 1 1 77 77 LEU N N 15 119.352 0.001 . 1 . . . . 77 LEU N . 18828 1 171 . 1 1 78 78 ASN H H 1 5.995 0.001 . 1 . . . . 78 ASN H . 18828 1 172 . 1 1 78 78 ASN HD21 H 1 6.613 0.001 . 1 . . . . 78 ASN HD21 . 18828 1 173 . 1 1 78 78 ASN HD22 H 1 7.484 0.001 . 1 . . . . 78 ASN HD22 . 18828 1 174 . 1 1 78 78 ASN N N 15 105.159 0.001 . 1 . . . . 78 ASN N . 18828 1 175 . 1 1 78 78 ASN ND2 N 15 111.316 0.002 . 1 . . . . 78 ASN ND2 . 18828 1 176 . 1 1 80 80 LYS H H 1 7.497 0.001 . 1 . . . . 80 LYS H . 18828 1 177 . 1 1 80 80 LYS N N 15 113.179 0.001 . 1 . . . . 80 LYS N . 18828 1 178 . 1 1 81 81 LYS H H 1 6.871 0.001 . 1 . . . . 81 LYS H . 18828 1 179 . 1 1 81 81 LYS N N 15 117.569 0.001 . 1 . . . . 81 LYS N . 18828 1 180 . 1 1 82 82 TYR H H 1 7.416 0.001 . 1 . . . . 82 TYR H . 18828 1 181 . 1 1 82 82 TYR N N 15 120.650 0.001 . 1 . . . . 82 TYR N . 18828 1 182 . 1 1 83 83 ILE H H 1 7.956 0.001 . 1 . . . . 83 ILE H . 18828 1 183 . 1 1 83 83 ILE N N 15 112.869 0.001 . 1 . . . . 83 ILE N . 18828 1 184 . 1 1 85 85 GLY H H 1 8.570 0.001 . 1 . . . . 85 GLY H . 18828 1 185 . 1 1 85 85 GLY N N 15 110.965 0.001 . 1 . . . . 85 GLY N . 18828 1 186 . 1 1 86 86 THR H H 1 8.153 0.001 . 1 . . . . 86 THR H . 18828 1 187 . 1 1 86 86 THR N N 15 115.546 0.001 . 1 . . . . 86 THR N . 18828 1 188 . 1 1 87 87 LYS H H 1 8.083 0.001 . 1 . . . . 87 LYS H . 18828 1 189 . 1 1 87 87 LYS N N 15 121.928 0.001 . 1 . . . . 87 LYS N . 18828 1 190 . 1 1 88 88 MET H H 1 7.266 0.001 . 1 . . . . 88 MET H . 18828 1 191 . 1 1 88 88 MET N N 15 123.253 0.001 . 1 . . . . 88 MET N . 18828 1 192 . 1 1 89 89 VAL H H 1 7.339 0.001 . 1 . . . . 89 VAL H . 18828 1 193 . 1 1 89 89 VAL N N 15 128.097 0.001 . 1 . . . . 89 VAL N . 18828 1 194 . 1 1 90 90 PHE H H 1 6.561 0.001 . 1 . . . . 90 PHE H . 18828 1 195 . 1 1 90 90 PHE N N 15 123.897 0.001 . 1 . . . . 90 PHE N . 18828 1 196 . 1 1 93 93 LEU H H 1 8.266 0.001 . 1 . . . . 93 LEU H . 18828 1 197 . 1 1 93 93 LEU N N 15 123.664 0.001 . 1 . . . . 93 LEU N . 18828 1 198 . 1 1 94 94 LYS H H 1 8.305 0.001 . 1 . . . . 94 LYS H . 18828 1 199 . 1 1 94 94 LYS N N 15 122.207 0.001 . 1 . . . . 94 LYS N . 18828 1 200 . 1 1 95 95 LYS H H 1 9.210 0.001 . 1 . . . . 95 LYS H . 18828 1 201 . 1 1 95 95 LYS N N 15 121.897 0.001 . 1 . . . . 95 LYS N . 18828 1 202 . 1 1 97 97 GLN H H 1 8.758 0.001 . 1 . . . . 97 GLN H . 18828 1 203 . 1 1 97 97 GLN HE21 H 1 6.852 0.001 . 1 . . . . 97 GLN HE21 . 18828 1 204 . 1 1 97 97 GLN HE22 H 1 8.627 0.001 . 1 . . . . 97 GLN HE22 . 18828 1 205 . 1 1 97 97 GLN N N 15 114.402 0.001 . 1 . . . . 97 GLN N . 18828 1 206 . 1 1 97 97 GLN NE2 N 15 119.296 0.007 . 1 . . . . 97 GLN NE2 . 18828 1 207 . 1 1 98 98 ASP H H 1 6.553 0.001 . 1 . . . . 98 ASP H . 18828 1 208 . 1 1 98 98 ASP N N 15 115.633 0.001 . 1 . . . . 98 ASP N . 18828 1 209 . 1 1 99 99 ARG H H 1 7.420 0.001 . 1 . . . . 99 ARG H . 18828 1 210 . 1 1 99 99 ARG N N 15 116.756 0.001 . 1 . . . . 99 ARG N . 18828 1 211 . 1 1 100 100 ALA H H 1 9.078 0.001 . 1 . . . . 100 ALA H . 18828 1 212 . 1 1 100 100 ALA N N 15 121.633 0.001 . 1 . . . . 100 ALA N . 18828 1 213 . 1 1 101 101 ASP H H 1 9.014 0.001 . 1 . . . . 101 ASP H . 18828 1 214 . 1 1 101 101 ASP N N 15 121.739 0.001 . 1 . . . . 101 ASP N . 18828 1 215 . 1 1 102 102 LEU H H 1 8.379 0.001 . 1 . . . . 102 LEU H . 18828 1 216 . 1 1 102 102 LEU N N 15 121.426 0.001 . 1 . . . . 102 LEU N . 18828 1 217 . 1 1 103 103 ILE H H 1 8.924 0.001 . 1 . . . . 103 ILE H . 18828 1 218 . 1 1 103 103 ILE N N 15 120.687 0.001 . 1 . . . . 103 ILE N . 18828 1 219 . 1 1 104 104 ALA H H 1 8.113 0.001 . 1 . . . . 104 ALA H . 18828 1 220 . 1 1 104 104 ALA N N 15 121.585 0.001 . 1 . . . . 104 ALA N . 18828 1 221 . 1 1 105 105 TYR H H 1 8.221 0.001 . 1 . . . . 105 TYR H . 18828 1 222 . 1 1 105 105 TYR N N 15 117.374 0.001 . 1 . . . . 105 TYR N . 18828 1 223 . 1 1 106 106 LEU H H 1 9.226 0.001 . 1 . . . . 106 LEU H . 18828 1 224 . 1 1 106 106 LEU N N 15 120.278 0.001 . 1 . . . . 106 LEU N . 18828 1 225 . 1 1 107 107 LYS H H 1 8.501 0.001 . 1 . . . . 107 LYS H . 18828 1 226 . 1 1 107 107 LYS N N 15 123.078 0.001 . 1 . . . . 107 LYS N . 18828 1 227 . 1 1 108 108 GLU H H 1 6.746 0.001 . 1 . . . . 108 GLU H . 18828 1 228 . 1 1 108 108 GLU N N 15 115.299 0.001 . 1 . . . . 108 GLU N . 18828 1 229 . 1 1 109 109 GLY H H 1 8.885 0.001 . 1 . . . . 109 GLY H . 18828 1 230 . 1 1 109 109 GLY N N 15 106.157 0.001 . 1 . . . . 109 GLY N . 18828 1 231 . 1 1 110 110 THR H H 1 7.513 0.001 . 1 . . . . 110 THR H . 18828 1 232 . 1 1 110 110 THR N N 15 106.151 0.001 . 1 . . . . 110 THR N . 18828 1 233 . 1 1 111 111 ALA H H 1 6.597 0.001 . 1 . . . . 111 ALA H . 18828 1 234 . 1 1 111 111 ALA N N 15 129.851 0.001 . 1 . . . . 111 ALA N . 18828 1 stop_ save_