################################### # 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 17439 _Assigned_chem_shift_list.ID 1 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 HNCACB' . . . 17439 1 3 '3D HN(COCA)CB' . . . 17439 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 1 1 MET CA C 13 54.467 0.2 . 1 . . . . 1 met CA . 17439 1 2 . 1 1 1 1 MET CB C 13 33.107 0.2 . 1 . . . . 1 met CB . 17439 1 3 . 1 1 2 2 GLN H H 1 8.965 0.02 . 1 . . . . 2 gln H . 17439 1 4 . 1 1 2 2 GLN CA C 13 55.081 0.2 . 1 . . . . 2 gln CA . 17439 1 5 . 1 1 2 2 GLN CB C 13 30.583 0.2 . 1 . . . . 2 gln CB . 17439 1 6 . 1 1 2 2 GLN N N 15 122.894 0.1 . 1 . . . . 2 gln N . 17439 1 7 . 1 1 3 3 ILE H H 1 8.305 0.02 . 1 . . . . 3 ile H . 17439 1 8 . 1 1 3 3 ILE CA C 13 59.564 0.2 . 1 . . . . 3 ile CA . 17439 1 9 . 1 1 3 3 ILE CB C 13 42.060 0.2 . 1 . . . . 3 ile CB . 17439 1 10 . 1 1 3 3 ILE N N 15 115.031 0.1 . 1 . . . . 3 ile N . 17439 1 11 . 1 1 4 4 PHE H H 1 8.615 0.02 . 1 . . . . 4 phe H . 17439 1 12 . 1 1 4 4 PHE CA C 13 55.099 0.2 . 1 . . . . 4 phe CA . 17439 1 13 . 1 1 4 4 PHE CB C 13 41.172 0.2 . 1 . . . . 4 phe CB . 17439 1 14 . 1 1 4 4 PHE N N 15 118.668 0.1 . 1 . . . . 4 phe N . 17439 1 15 . 1 1 5 5 VAL H H 1 9.295 0.02 . 1 . . . . 5 val H . 17439 1 16 . 1 1 5 5 VAL CA C 13 60.408 0.2 . 1 . . . . 5 val CA . 17439 1 17 . 1 1 5 5 VAL CB C 13 34.203 0.2 . 1 . . . . 5 val CB . 17439 1 18 . 1 1 5 5 VAL N N 15 121.343 0.1 . 1 . . . . 5 val N . 17439 1 19 . 1 1 6 6 LYS H H 1 8.991 0.02 . 1 . . . . 6 lys H . 17439 1 20 . 1 1 6 6 LYS CA C 13 54.645 0.2 . 1 . . . . 6 lys CA . 17439 1 21 . 1 1 6 6 LYS CB C 13 34.310 0.2 . 1 . . . . 6 lys CB . 17439 1 22 . 1 1 6 6 LYS N N 15 128.185 0.1 . 1 . . . . 6 lys N . 17439 1 23 . 1 1 7 7 THR H H 1 8.740 0.02 . 1 . . . . 7 thr H . 17439 1 24 . 1 1 7 7 THR CA C 13 60.529 0.2 . 1 . . . . 7 thr CA . 17439 1 25 . 1 1 7 7 THR CB C 13 70.525 0.2 . 1 . . . . 7 thr CB . 17439 1 26 . 1 1 7 7 THR N N 15 115.507 0.1 . 1 . . . . 7 thr N . 17439 1 27 . 1 1 8 8 LEU H H 1 9.142 0.02 . 1 . . . . 8 leu H . 17439 1 28 . 1 1 8 8 LEU CA C 13 57.432 0.2 . 1 . . . . 8 leu CA . 17439 1 29 . 1 1 8 8 LEU CB C 13 41.866 0.2 . 1 . . . . 8 leu CB . 17439 1 30 . 1 1 8 8 LEU N N 15 121.327 0.1 . 1 . . . . 8 leu N . 17439 1 31 . 1 1 9 9 THR H H 1 7.649 0.02 . 1 . . . . 9 thr H . 17439 1 32 . 1 1 9 9 THR CA C 13 61.424 0.2 . 1 . . . . 9 thr CA . 17439 1 33 . 1 1 9 9 THR CB C 13 69.064 0.2 . 1 . . . . 9 thr CB . 17439 1 34 . 1 1 9 9 THR N N 15 105.926 0.1 . 1 . . . . 9 thr N . 17439 1 35 . 1 1 10 10 GLY H H 1 7.832 0.02 . 1 . . . . 10 gly H . 17439 1 36 . 1 1 10 10 GLY CA C 13 45.369 0.2 . 1 . . . . 10 gly CA . 17439 1 37 . 1 1 10 10 GLY N N 15 109.398 0.1 . 1 . . . . 10 gly N . 17439 1 38 . 1 1 11 11 LYS H H 1 7.280 0.02 . 1 . . . . 11 lys H . 17439 1 39 . 1 1 11 11 LYS CA C 13 56.224 0.2 . 1 . . . . 11 lys CA . 17439 1 40 . 1 1 11 11 LYS CB C 13 33.435 0.2 . 1 . . . . 11 lys CB . 17439 1 41 . 1 1 11 11 LYS N N 15 121.919 0.1 . 1 . . . . 11 lys N . 17439 1 42 . 1 1 12 12 THR H H 1 8.668 0.02 . 1 . . . . 12 thr H . 17439 1 43 . 1 1 12 12 THR CA C 13 62.289 0.2 . 1 . . . . 12 thr CA . 17439 1 44 . 1 1 12 12 THR CB C 13 69.883 0.2 . 1 . . . . 12 thr CB . 17439 1 45 . 1 1 12 12 THR N N 15 120.723 0.1 . 1 . . . . 12 thr N . 17439 1 46 . 1 1 13 13 ILE H H 1 9.574 0.02 . 1 . . . . 13 ile H . 17439 1 47 . 1 1 13 13 ILE CA C 13 59.988 0.2 . 1 . . . . 13 ile CA . 17439 1 48 . 1 1 13 13 ILE CB C 13 40.728 0.2 . 1 . . . . 13 ile CB . 17439 1 49 . 1 1 13 13 ILE N N 15 127.748 0.1 . 1 . . . . 13 ile N . 17439 1 50 . 1 1 14 14 THR H H 1 8.763 0.02 . 1 . . . . 14 thr H . 17439 1 51 . 1 1 14 14 THR CA C 13 62.011 0.2 . 1 . . . . 14 thr CA . 17439 1 52 . 1 1 14 14 THR CB C 13 69.588 0.2 . 1 . . . . 14 thr CB . 17439 1 53 . 1 1 14 14 THR N N 15 121.733 0.1 . 1 . . . . 14 thr N . 17439 1 54 . 1 1 15 15 LEU H H 1 8.745 0.02 . 1 . . . . 15 leu H . 17439 1 55 . 1 1 15 15 LEU CA C 13 52.779 0.2 . 1 . . . . 15 leu CA . 17439 1 56 . 1 1 15 15 LEU CB C 13 46.913 0.2 . 1 . . . . 15 leu CB . 17439 1 57 . 1 1 15 15 LEU N N 15 125.174 0.1 . 1 . . . . 15 leu N . 17439 1 58 . 1 1 16 16 GLU H H 1 8.136 0.02 . 1 . . . . 16 glu H . 17439 1 59 . 1 1 16 16 GLU CA C 13 54.875 0.2 . 1 . . . . 16 glu CA . 17439 1 60 . 1 1 16 16 GLU CB C 13 29.804 0.2 . 1 . . . . 16 glu CB . 17439 1 61 . 1 1 16 16 GLU N N 15 122.513 0.1 . 1 . . . . 16 glu N . 17439 1 62 . 1 1 17 17 VAL H H 1 8.949 0.02 . 1 . . . . 17 val H . 17439 1 63 . 1 1 17 17 VAL CA C 13 58.394 0.2 . 1 . . . . 17 val CA . 17439 1 64 . 1 1 17 17 VAL CB C 13 36.329 0.2 . 1 . . . . 17 val CB . 17439 1 65 . 1 1 17 17 VAL N N 15 117.585 0.1 . 1 . . . . 17 val N . 17439 1 66 . 1 1 18 18 GLU H H 1 8.660 0.02 . 1 . . . . 18 glu H . 17439 1 67 . 1 1 18 18 GLU N N 15 119.265 0.1 . 1 . . . . 18 glu N . 17439 1 68 . 1 1 19 19 PRO CA C 13 65.318 0.2 . 1 . . . . 19 pro CA . 17439 1 69 . 1 1 19 19 PRO CB C 13 31.844 0.2 . 1 . . . . 19 pro CB . 17439 1 70 . 1 1 20 20 SER H H 1 7.034 0.02 . 1 . . . . 20 ser H . 17439 1 71 . 1 1 20 20 SER CA C 13 57.324 0.2 . 1 . . . . 20 ser CA . 17439 1 72 . 1 1 20 20 SER CB C 13 63.408 0.2 . 1 . . . . 20 ser CB . 17439 1 73 . 1 1 20 20 SER N N 15 103.443 0.1 . 1 . . . . 20 ser N . 17439 1 74 . 1 1 21 21 ASP H H 1 8.067 0.02 . 1 . . . . 21 asp H . 17439 1 75 . 1 1 21 21 ASP CA C 13 55.834 0.2 . 1 . . . . 21 asp CA . 17439 1 76 . 1 1 21 21 ASP CB C 13 40.895 0.2 . 1 . . . . 21 asp CB . 17439 1 77 . 1 1 21 21 ASP N N 15 124.029 0.1 . 1 . . . . 21 asp N . 17439 1 78 . 1 1 22 22 THR H H 1 7.879 0.02 . 1 . . . . 22 thr H . 17439 1 79 . 1 1 22 22 THR CA C 13 59.585 0.2 . 1 . . . . 22 thr CA . 17439 1 80 . 1 1 22 22 THR CB C 13 71.226 0.2 . 1 . . . . 22 thr CB . 17439 1 81 . 1 1 22 22 THR N N 15 109.059 0.1 . 1 . . . . 22 thr N . 17439 1 82 . 1 1 23 23 ILE H H 1 8.532 0.02 . 1 . . . . 23 ile H . 17439 1 83 . 1 1 23 23 ILE N N 15 121.394 0.1 . 1 . . . . 23 ile N . 17439 1 84 . 1 1 24 24 GLU CA C 13 60.673 0.2 . 1 . . . . 24 glu CA . 17439 1 85 . 1 1 24 24 GLU CB C 13 28.754 0.2 . 1 . . . . 24 glu CB . 17439 1 86 . 1 1 25 25 ASN H H 1 7.933 0.02 . 1 . . . . 25 asn H . 17439 1 87 . 1 1 25 25 ASN CA C 13 55.943 0.2 . 1 . . . . 25 asn CA . 17439 1 88 . 1 1 25 25 ASN CB C 13 38.388 0.2 . 1 . . . . 25 asn CB . 17439 1 89 . 1 1 25 25 ASN N N 15 121.534 0.1 . 1 . . . . 25 asn N . 17439 1 90 . 1 1 26 26 VAL H H 1 8.126 0.02 . 1 . . . . 26 val H . 17439 1 91 . 1 1 26 26 VAL CA C 13 67.868 0.2 . 1 . . . . 26 val CA . 17439 1 92 . 1 1 26 26 VAL CB C 13 30.742 0.2 . 1 . . . . 26 val CB . 17439 1 93 . 1 1 26 26 VAL N N 15 122.346 0.1 . 1 . . . . 26 val N . 17439 1 94 . 1 1 27 27 LYS H H 1 8.542 0.02 . 1 . . . . 27 lys H . 17439 1 95 . 1 1 27 27 LYS CA C 13 59.230 0.2 . 1 . . . . 27 lys CA . 17439 1 96 . 1 1 27 27 LYS CB C 13 33.674 0.2 . 1 . . . . 27 lys CB . 17439 1 97 . 1 1 27 27 LYS N N 15 119.062 0.1 . 1 . . . . 27 lys N . 17439 1 98 . 1 1 28 28 ALA H H 1 7.969 0.02 . 1 . . . . 28 ala H . 17439 1 99 . 1 1 28 28 ALA CA C 13 55.431 0.2 . 1 . . . . 28 ala CA . 17439 1 100 . 1 1 28 28 ALA CB C 13 17.716 0.2 . 1 . . . . 28 ala CB . 17439 1 101 . 1 1 28 28 ALA N N 15 123.448 0.1 . 1 . . . . 28 ala N . 17439 1 102 . 1 1 29 29 LYS H H 1 7.863 0.02 . 1 . . . . 29 lys H . 17439 1 103 . 1 1 29 29 LYS CA C 13 59.732 0.2 . 1 . . . . 29 lys CA . 17439 1 104 . 1 1 29 29 LYS CB C 13 33.335 0.2 . 1 . . . . 29 lys CB . 17439 1 105 . 1 1 29 29 LYS N N 15 120.300 0.1 . 1 . . . . 29 lys N . 17439 1 106 . 1 1 30 30 ILE H H 1 8.292 0.02 . 1 . . . . 30 ile H . 17439 1 107 . 1 1 30 30 ILE CA C 13 66.096 0.2 . 1 . . . . 30 ile CA . 17439 1 108 . 1 1 30 30 ILE CB C 13 36.719 0.2 . 1 . . . . 30 ile CB . 17439 1 109 . 1 1 30 30 ILE N N 15 121.591 0.1 . 1 . . . . 30 ile N . 17439 1 110 . 1 1 31 31 GLN H H 1 8.558 0.02 . 1 . . . . 31 gln H . 17439 1 111 . 1 1 31 31 GLN CA C 13 60.023 0.2 . 1 . . . . 31 gln CA . 17439 1 112 . 1 1 31 31 GLN CB C 13 27.709 0.2 . 1 . . . . 31 gln CB . 17439 1 113 . 1 1 31 31 GLN N N 15 123.630 0.1 . 1 . . . . 31 gln N . 17439 1 114 . 1 1 32 32 ASP H H 1 8.042 0.02 . 1 . . . . 32 asp H . 17439 1 115 . 1 1 32 32 ASP CA C 13 57.416 0.2 . 1 . . . . 32 asp CA . 17439 1 116 . 1 1 32 32 ASP CB C 13 41.030 0.2 . 1 . . . . 32 asp CB . 17439 1 117 . 1 1 32 32 ASP N N 15 119.886 0.1 . 1 . . . . 32 asp N . 17439 1 118 . 1 1 33 33 LYS H H 1 7.431 0.02 . 1 . . . . 33 lys H . 17439 1 119 . 1 1 33 33 LYS CA C 13 58.209 0.2 . 1 . . . . 33 lys CA . 17439 1 120 . 1 1 33 33 LYS CB C 13 33.965 0.2 . 1 . . . . 33 lys CB . 17439 1 121 . 1 1 33 33 LYS N N 15 115.713 0.1 . 1 . . . . 33 lys N . 17439 1 122 . 1 1 34 34 GLU H H 1 8.728 0.02 . 1 . . . . 34 glu H . 17439 1 123 . 1 1 34 34 GLU CA C 13 55.372 0.2 . 1 . . . . 34 glu CA . 17439 1 124 . 1 1 34 34 GLU CB C 13 33.318 0.2 . 1 . . . . 34 glu CB . 17439 1 125 . 1 1 34 34 GLU N N 15 114.329 0.1 . 1 . . . . 34 glu N . 17439 1 126 . 1 1 35 35 GLY H H 1 8.501 0.02 . 1 . . . . 35 gly H . 17439 1 127 . 1 1 35 35 GLY CA C 13 46.026 0.2 . 1 . . . . 35 gly CA . 17439 1 128 . 1 1 35 35 GLY N N 15 109.019 0.1 . 1 . . . . 35 gly N . 17439 1 129 . 1 1 36 36 ILE H H 1 6.152 0.02 . 1 . . . . 36 ile H . 17439 1 130 . 1 1 36 36 ILE N N 15 120.584 0.1 . 1 . . . . 36 ile N . 17439 1 131 . 1 1 38 38 PRO CA C 13 66.084 0.2 . 1 . . . . 38 pro CA . 17439 1 132 . 1 1 38 38 PRO CB C 13 32.758 0.2 . 1 . . . . 38 pro CB . 17439 1 133 . 1 1 39 39 ASP H H 1 8.542 0.02 . 1 . . . . 39 asp H . 17439 1 134 . 1 1 39 39 ASP CA C 13 55.766 0.2 . 1 . . . . 39 asp CA . 17439 1 135 . 1 1 39 39 ASP CB C 13 39.764 0.2 . 1 . . . . 39 asp CB . 17439 1 136 . 1 1 39 39 ASP N N 15 113.775 0.1 . 1 . . . . 39 asp N . 17439 1 137 . 1 1 40 40 GLN H H 1 7.814 0.02 . 1 . . . . 40 gln H . 17439 1 138 . 1 1 40 40 GLN CA C 13 55.623 0.2 . 1 . . . . 40 gln CA . 17439 1 139 . 1 1 40 40 GLN CB C 13 30.055 0.2 . 1 . . . . 40 gln CB . 17439 1 140 . 1 1 40 40 GLN N N 15 117.005 0.1 . 1 . . . . 40 gln N . 17439 1 141 . 1 1 41 41 GLN H H 1 7.488 0.02 . 1 . . . . 41 gln H . 17439 1 142 . 1 1 41 41 GLN CA C 13 56.694 0.2 . 1 . . . . 41 gln CA . 17439 1 143 . 1 1 41 41 GLN CB C 13 31.462 0.2 . 1 . . . . 41 gln CB . 17439 1 144 . 1 1 41 41 GLN N N 15 118.138 0.1 . 1 . . . . 41 gln N . 17439 1 145 . 1 1 42 42 ARG H H 1 8.523 0.02 . 1 . . . . 42 arg H . 17439 1 146 . 1 1 42 42 ARG CA C 13 55.106 0.2 . 1 . . . . 42 arg CA . 17439 1 147 . 1 1 42 42 ARG CB C 13 31.668 0.2 . 1 . . . . 42 arg CB . 17439 1 148 . 1 1 42 42 ARG N N 15 123.306 0.1 . 1 . . . . 42 arg N . 17439 1 149 . 1 1 43 43 LEU H H 1 8.807 0.02 . 1 . . . . 43 leu H . 17439 1 150 . 1 1 43 43 LEU CA C 13 53.044 0.2 . 1 . . . . 43 leu CA . 17439 1 151 . 1 1 43 43 LEU CB C 13 45.772 0.2 . 1 . . . . 43 leu CB . 17439 1 152 . 1 1 43 43 LEU N N 15 124.489 0.1 . 1 . . . . 43 leu N . 17439 1 153 . 1 1 44 44 ILE H H 1 9.142 0.02 . 1 . . . . 44 ile H . 17439 1 154 . 1 1 44 44 ILE CA C 13 58.949 0.2 . 1 . . . . 44 ile CA . 17439 1 155 . 1 1 44 44 ILE CB C 13 41.075 0.2 . 1 . . . . 44 ile CB . 17439 1 156 . 1 1 44 44 ILE N N 15 122.436 0.1 . 1 . . . . 44 ile N . 17439 1 157 . 1 1 45 45 PHE H H 1 8.844 0.02 . 1 . . . . 45 phe H . 17439 1 158 . 1 1 45 45 PHE CA C 13 56.442 0.2 . 1 . . . . 45 phe CA . 17439 1 159 . 1 1 45 45 PHE CB C 13 43.592 0.2 . 1 . . . . 45 phe CB . 17439 1 160 . 1 1 45 45 PHE N N 15 124.964 0.1 . 1 . . . . 45 phe N . 17439 1 161 . 1 1 46 46 ALA H H 1 9.043 0.02 . 1 . . . . 46 ala H . 17439 1 162 . 1 1 46 46 ALA CA C 13 52.464 0.2 . 1 . . . . 46 ala CA . 17439 1 163 . 1 1 46 46 ALA CB C 13 16.504 0.2 . 1 . . . . 46 ala CB . 17439 1 164 . 1 1 46 46 ALA N N 15 133.323 0.1 . 1 . . . . 46 ala N . 17439 1 165 . 1 1 47 47 GLY H H 1 8.123 0.02 . 1 . . . . 47 gly H . 17439 1 166 . 1 1 47 47 GLY CA C 13 45.352 0.2 . 1 . . . . 47 gly CA . 17439 1 167 . 1 1 47 47 GLY N N 15 102.532 0.1 . 1 . . . . 47 gly N . 17439 1 168 . 1 1 48 48 LYS H H 1 7.966 0.02 . 1 . . . . 48 lys H . 17439 1 169 . 1 1 48 48 LYS CA C 13 54.545 0.2 . 1 . . . . 48 lys CA . 17439 1 170 . 1 1 48 48 LYS CB C 13 34.407 0.2 . 1 . . . . 48 lys CB . 17439 1 171 . 1 1 48 48 LYS N N 15 122.241 0.1 . 1 . . . . 48 lys N . 17439 1 172 . 1 1 49 49 GLN H H 1 8.679 0.02 . 1 . . . . 49 gln H . 17439 1 173 . 1 1 49 49 GLN CA C 13 55.926 0.2 . 1 . . . . 49 gln CA . 17439 1 174 . 1 1 49 49 GLN CB C 13 29.049 0.2 . 1 . . . . 49 gln CB . 17439 1 175 . 1 1 49 49 GLN N N 15 123.345 0.1 . 1 . . . . 49 gln N . 17439 1 176 . 1 1 50 50 LEU H H 1 8.577 0.02 . 1 . . . . 50 leu H . 17439 1 177 . 1 1 50 50 LEU CA C 13 54.232 0.2 . 1 . . . . 50 leu CA . 17439 1 178 . 1 1 50 50 LEU CB C 13 41.411 0.2 . 1 . . . . 50 leu CB . 17439 1 179 . 1 1 50 50 LEU N N 15 125.839 0.1 . 1 . . . . 50 leu N . 17439 1 180 . 1 1 51 51 GLU H H 1 8.413 0.02 . 1 . . . . 51 glu H . 17439 1 181 . 1 1 51 51 GLU CA C 13 55.892 0.2 . 1 . . . . 51 glu CA . 17439 1 182 . 1 1 51 51 GLU CB C 13 31.954 0.2 . 1 . . . . 51 glu CB . 17439 1 183 . 1 1 51 51 GLU N N 15 123.285 0.1 . 1 . . . . 51 glu N . 17439 1 184 . 1 1 52 52 ASP H H 1 8.196 0.02 . 1 . . . . 52 asp H . 17439 1 185 . 1 1 52 52 ASP N N 15 120.645 0.1 . 1 . . . . 52 asp N . 17439 1 186 . 1 1 53 53 GLY CA C 13 45.141 0.2 . 1 . . . . 53 gly CA . 17439 1 187 . 1 1 54 54 ARG H H 1 7.470 0.02 . 1 . . . . 54 arg H . 17439 1 188 . 1 1 54 54 ARG CA C 13 54.352 0.2 . 1 . . . . 54 arg CA . 17439 1 189 . 1 1 54 54 ARG CB C 13 32.664 0.2 . 1 . . . . 54 arg CB . 17439 1 190 . 1 1 54 54 ARG N N 15 119.564 0.1 . 1 . . . . 54 arg N . 17439 1 191 . 1 1 55 55 THR H H 1 8.831 0.02 . 1 . . . . 55 thr H . 17439 1 192 . 1 1 55 55 THR CA C 13 59.616 0.2 . 1 . . . . 55 thr CA . 17439 1 193 . 1 1 55 55 THR CB C 13 72.356 0.2 . 1 . . . . 55 thr CB . 17439 1 194 . 1 1 55 55 THR N N 15 108.961 0.1 . 1 . . . . 55 thr N . 17439 1 195 . 1 1 56 56 LEU H H 1 8.154 0.02 . 1 . . . . 56 leu H . 17439 1 196 . 1 1 56 56 LEU CA C 13 58.626 0.2 . 1 . . . . 56 leu CA . 17439 1 197 . 1 1 56 56 LEU CB C 13 40.192 0.2 . 1 . . . . 56 leu CB . 17439 1 198 . 1 1 56 56 LEU N N 15 118.115 0.1 . 1 . . . . 56 leu N . 17439 1 199 . 1 1 57 57 SER H H 1 8.488 0.02 . 1 . . . . 57 ser H . 17439 1 200 . 1 1 57 57 SER CA C 13 61.085 0.2 . 1 . . . . 57 ser CA . 17439 1 201 . 1 1 57 57 SER CB C 13 62.574 0.2 . 1 . . . . 57 ser CB . 17439 1 202 . 1 1 57 57 SER N N 15 113.539 0.1 . 1 . . . . 57 ser N . 17439 1 203 . 1 1 58 58 ASP H H 1 7.948 0.02 . 1 . . . . 58 asp H . 17439 1 204 . 1 1 58 58 ASP CA C 13 57.374 0.2 . 1 . . . . 58 asp CA . 17439 1 205 . 1 1 58 58 ASP CB C 13 40.288 0.2 . 1 . . . . 58 asp CB . 17439 1 206 . 1 1 58 58 ASP N N 15 124.752 0.1 . 1 . . . . 58 asp N . 17439 1 207 . 1 1 59 59 TYR H H 1 7.257 0.02 . 1 . . . . 59 tyr H . 17439 1 208 . 1 1 59 59 TYR CA C 13 58.234 0.2 . 1 . . . . 59 tyr CA . 17439 1 209 . 1 1 59 59 TYR CB C 13 39.964 0.2 . 1 . . . . 59 tyr CB . 17439 1 210 . 1 1 59 59 TYR N N 15 115.879 0.1 . 1 . . . . 59 tyr N . 17439 1 211 . 1 1 60 60 ASN H H 1 8.162 0.02 . 1 . . . . 60 asn H . 17439 1 212 . 1 1 60 60 ASN CA C 13 54.187 0.2 . 1 . . . . 60 asn CA . 17439 1 213 . 1 1 60 60 ASN CB C 13 37.358 0.2 . 1 . . . . 60 asn CB . 17439 1 214 . 1 1 60 60 ASN N N 15 115.995 0.1 . 1 . . . . 60 asn N . 17439 1 215 . 1 1 61 61 ILE H H 1 7.265 0.02 . 1 . . . . 61 ile H . 17439 1 216 . 1 1 61 61 ILE CA C 13 62.415 0.2 . 1 . . . . 61 ile CA . 17439 1 217 . 1 1 61 61 ILE CB C 13 36.610 0.2 . 1 . . . . 61 ile CB . 17439 1 218 . 1 1 61 61 ILE N N 15 119.085 0.1 . 1 . . . . 61 ile N . 17439 1 219 . 1 1 62 62 GLN H H 1 7.641 0.02 . 1 . . . . 62 gln H . 17439 1 220 . 1 1 62 62 GLN CA C 13 53.559 0.2 . 1 . . . . 62 gln CA . 17439 1 221 . 1 1 62 62 GLN CB C 13 31.608 0.2 . 1 . . . . 62 gln CB . 17439 1 222 . 1 1 62 62 GLN N N 15 125.000 0.1 . 1 . . . . 62 gln N . 17439 1 223 . 1 1 63 63 LYS H H 1 8.510 0.02 . 1 . . . . 63 lys H . 17439 1 224 . 1 1 63 63 LYS CA C 13 57.900 0.2 . 1 . . . . 63 lys CA . 17439 1 225 . 1 1 63 63 LYS CB C 13 32.558 0.2 . 1 . . . . 63 lys CB . 17439 1 226 . 1 1 63 63 LYS N N 15 120.705 0.1 . 1 . . . . 63 lys N . 17439 1 227 . 1 1 64 64 GLU H H 1 9.324 0.02 . 1 . . . . 64 glu H . 17439 1 228 . 1 1 64 64 GLU CA C 13 58.318 0.2 . 1 . . . . 64 glu CA . 17439 1 229 . 1 1 64 64 GLU CB C 13 26.007 0.2 . 1 . . . . 64 glu CB . 17439 1 230 . 1 1 64 64 GLU N N 15 114.803 0.1 . 1 . . . . 64 glu N . 17439 1 231 . 1 1 65 65 SER H H 1 7.670 0.02 . 1 . . . . 65 ser H . 17439 1 232 . 1 1 65 65 SER CA C 13 60.858 0.2 . 1 . . . . 65 ser CA . 17439 1 233 . 1 1 65 65 SER CB C 13 64.966 0.2 . 1 . . . . 65 ser CB . 17439 1 234 . 1 1 65 65 SER N N 15 114.984 0.1 . 1 . . . . 65 ser N . 17439 1 235 . 1 1 66 66 THR H H 1 8.729 0.02 . 1 . . . . 66 thr H . 17439 1 236 . 1 1 66 66 THR CA C 13 62.453 0.2 . 1 . . . . 66 thr CA . 17439 1 237 . 1 1 66 66 THR CB C 13 70.284 0.2 . 1 . . . . 66 thr CB . 17439 1 238 . 1 1 66 66 THR N N 15 117.534 0.1 . 1 . . . . 66 thr N . 17439 1 239 . 1 1 67 67 LEU H H 1 9.413 0.02 . 1 . . . . 67 leu H . 17439 1 240 . 1 1 67 67 LEU CA C 13 53.781 0.2 . 1 . . . . 67 leu CA . 17439 1 241 . 1 1 67 67 LEU CB C 13 44.470 0.2 . 1 . . . . 67 leu CB . 17439 1 242 . 1 1 67 67 LEU N N 15 127.983 0.1 . 1 . . . . 67 leu N . 17439 1 243 . 1 1 68 68 HIS H H 1 9.231 0.02 . 1 . . . . 68 his H . 17439 1 244 . 1 1 68 68 HIS CA C 13 56.321 0.2 . 1 . . . . 68 his CA . 17439 1 245 . 1 1 68 68 HIS CB C 13 32.569 0.2 . 1 . . . . 68 his CB . 17439 1 246 . 1 1 68 68 HIS N N 15 119.722 0.1 . 1 . . . . 68 his N . 17439 1 247 . 1 1 69 69 LEU H H 1 8.279 0.02 . 1 . . . . 69 leu H . 17439 1 248 . 1 1 69 69 LEU CA C 13 53.720 0.2 . 1 . . . . 69 leu CA . 17439 1 249 . 1 1 69 69 LEU CB C 13 44.222 0.2 . 1 . . . . 69 leu CB . 17439 1 250 . 1 1 69 69 LEU N N 15 123.833 0.1 . 1 . . . . 69 leu N . 17439 1 251 . 1 1 70 70 VAL H H 1 9.187 0.02 . 1 . . . . 70 val H . 17439 1 252 . 1 1 70 70 VAL CA C 13 60.621 0.2 . 1 . . . . 70 val CA . 17439 1 253 . 1 1 70 70 VAL CB C 13 34.796 0.2 . 1 . . . . 70 val CB . 17439 1 254 . 1 1 70 70 VAL N N 15 126.765 0.1 . 1 . . . . 70 val N . 17439 1 255 . 1 1 71 71 LEU H H 1 8.129 0.02 . 1 . . . . 71 leu H . 17439 1 256 . 1 1 71 71 LEU CA C 13 54.013 0.2 . 1 . . . . 71 leu CA . 17439 1 257 . 1 1 71 71 LEU CB C 13 42.748 0.2 . 1 . . . . 71 leu CB . 17439 1 258 . 1 1 71 71 LEU N N 15 123.304 0.1 . 1 . . . . 71 leu N . 17439 1 259 . 1 1 72 72 ARG H H 1 8.629 0.02 . 1 . . . . 72 arg H . 17439 1 260 . 1 1 72 72 ARG CA C 13 55.612 0.2 . 1 . . . . 72 arg CA . 17439 1 261 . 1 1 72 72 ARG CB C 13 31.254 0.2 . 1 . . . . 72 arg CB . 17439 1 262 . 1 1 72 72 ARG N N 15 123.992 0.1 . 1 . . . . 72 arg N . 17439 1 263 . 1 1 73 73 LEU H H 1 8.391 0.02 . 1 . . . . 73 leu H . 17439 1 264 . 1 1 73 73 LEU CA C 13 54.747 0.2 . 1 . . . . 73 leu CA . 17439 1 265 . 1 1 73 73 LEU CB C 13 42.410 0.2 . 1 . . . . 73 leu CB . 17439 1 266 . 1 1 73 73 LEU N N 15 124.819 0.1 . 1 . . . . 73 leu N . 17439 1 267 . 1 1 74 74 ARG H H 1 8.472 0.02 . 1 . . . . 74 arg H . 17439 1 268 . 1 1 74 74 ARG CA C 13 56.464 0.2 . 1 . . . . 74 arg CA . 17439 1 269 . 1 1 74 74 ARG CB C 13 30.705 0.2 . 1 . . . . 74 arg CB . 17439 1 270 . 1 1 74 74 ARG N N 15 122.292 0.1 . 1 . . . . 74 arg N . 17439 1 271 . 1 1 75 75 GLY H H 1 8.538 0.02 . 1 . . . . 75 gly H . 17439 1 272 . 1 1 75 75 GLY CA C 13 45.244 0.2 . 1 . . . . 75 gly CA . 17439 1 273 . 1 1 75 75 GLY N N 15 111.215 0.1 . 1 . . . . 75 gly N . 17439 1 274 . 1 1 76 76 GLY H H 1 7.971 0.02 . 1 . . . . 76 gly H . 17439 1 275 . 1 1 76 76 GLY N N 15 115.205 0.1 . 1 . . . . 76 gly N . 17439 1 stop_ save_