################################### # 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 17383 _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 . _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 '3D 1H-15N NOESY' . . . 17383 1 3 '3D HNCA' . . . 17383 1 4 '3D HNCACB' . . . 17383 1 6 '3D CBCA(CO)NH' . . . 17383 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 ARG H H 1 8.539 . . 1 . . . . 29 ARG HN . 17383 1 2 . 1 1 1 1 ARG HA H 1 4.251 . . 1 . . . . 29 ARG HA . 17383 1 3 . 1 1 1 1 ARG CA C 13 56.423 . . 1 . . . . 29 ARG CA . 17383 1 4 . 1 1 1 1 ARG CB C 13 30.601 . . 1 . . . . 29 ARG CB . 17383 1 5 . 1 1 1 1 ARG N N 15 122.619 . . 1 . . . . 29 ARG N . 17383 1 6 . 1 1 2 2 GLU H H 1 8.404 . . 1 . . . . 30 GLU HN . 17383 1 7 . 1 1 2 2 GLU HA H 1 4.251 . . 1 . . . . 30 GLU HA . 17383 1 8 . 1 1 2 2 GLU CA C 13 56.474 . . 1 . . . . 30 GLU CA . 17383 1 9 . 1 1 2 2 GLU CB C 13 30.388 . . 1 . . . . 30 GLU CB . 17383 1 10 . 1 1 2 2 GLU N N 15 121.916 . . 1 . . . . 30 GLU N . 17383 1 11 . 1 1 3 3 LEU H H 1 8.177 . . 1 . . . . 31 LEU HN . 17383 1 12 . 1 1 3 3 LEU HA H 1 4.289 . . 1 . . . . 31 LEU HA . 17383 1 13 . 1 1 3 3 LEU CA C 13 55.085 . . 1 . . . . 31 LEU CA . 17383 1 14 . 1 1 3 3 LEU CB C 13 42.411 . . 1 . . . . 31 LEU CB . 17383 1 15 . 1 1 3 3 LEU N N 15 123.439 . . 1 . . . . 31 LEU N . 17383 1 16 . 1 1 4 4 LYS H H 1 8.228 . . 1 . . . . 32 LYS HN . 17383 1 17 . 1 1 4 4 LYS HA H 1 4.520 . . 1 . . . . 32 LYS HA . 17383 1 18 . 1 1 4 4 LYS CA C 13 53.895 . . 1 . . . . 32 LYS CA . 17383 1 19 . 1 1 4 4 LYS CB C 13 32.404 . . 1 . . . . 32 LYS CB . 17383 1 20 . 1 1 4 4 LYS N N 15 123.645 . . 1 . . . . 32 LYS N . 17383 1 21 . 1 1 5 5 PRO HA H 1 4.289 . . 1 . . . . 33 PRO HA . 17383 1 22 . 1 1 5 5 PRO CA C 13 62.794 . . 1 . . . . 33 PRO CA . 17383 1 23 . 1 1 5 5 PRO CB C 13 32.542 . . 1 . . . . 33 PRO CB . 17383 1 24 . 1 1 6 6 GLN H H 1 8.278 . . 1 . . . . 34 GLN HN . 17383 1 25 . 1 1 6 6 GLN HA H 1 4.206 . . 1 . . . . 34 GLN HA . 17383 1 26 . 1 1 6 6 GLN CA C 13 55.153 . . 1 . . . . 34 GLN CA . 17383 1 27 . 1 1 6 6 GLN CB C 13 29.843 . . 1 . . . . 34 GLN CB . 17383 1 28 . 1 1 6 6 GLN N N 15 119.956 . . 1 . . . . 34 GLN N . 17383 1 29 . 1 1 7 7 THR H H 1 8.102 . . 1 . . . . 35 THR HN . 17383 1 30 . 1 1 7 7 THR HA H 1 3.726 . . 1 . . . . 35 THR HA . 17383 1 31 . 1 1 7 7 THR CA C 13 64.131 . . 1 . . . . 35 THR CA . 17383 1 32 . 1 1 7 7 THR CB C 13 70.033 . . 1 . . . . 35 THR CB . 17383 1 33 . 1 1 7 7 THR N N 15 116.865 . . 1 . . . . 35 THR N . 17383 1 34 . 1 1 8 8 CYS H H 1 8.160 . . 1 . . . . 36 CYS HN . 17383 1 35 . 1 1 8 8 CYS HA H 1 4.439 . . 1 . . . . 36 CYS HA . 17383 1 36 . 1 1 8 8 CYS CA C 13 59.591 . . 1 . . . . 36 CYS CA . 17383 1 37 . 1 1 8 8 CYS CB C 13 30.329 . . 1 . . . . 36 CYS CB . 17383 1 38 . 1 1 8 8 CYS N N 15 128.681 . . 1 . . . . 36 CYS N . 17383 1 39 . 1 1 9 9 THR H H 1 9.553 . . 1 . . . . 37 THR HN . 17383 1 40 . 1 1 9 9 THR HB H 1 4.064 . . 1 . . . . 37 THR HB . 17383 1 41 . 1 1 9 9 THR CA C 13 63.839 . . 1 . . . . 37 THR CA . 17383 1 42 . 1 1 9 9 THR CB C 13 69.111 . . 1 . . . . 37 THR CB . 17383 1 43 . 1 1 9 9 THR N N 15 121.780 . . 1 . . . . 37 THR N . 17383 1 44 . 1 1 10 10 ILE H H 1 8.434 . . 1 . . . . 38 ILE HN . 17383 1 45 . 1 1 10 10 ILE HA H 1 4.101 . . 1 . . . . 38 ILE HA . 17383 1 46 . 1 1 10 10 ILE HB H 1 1.776 . . 1 . . . . 38 ILE HB . 17383 1 47 . 1 1 10 10 ILE CA C 13 63.370 . . 1 . . . . 38 ILE CA . 17383 1 48 . 1 1 10 10 ILE CB C 13 38.176 . . 1 . . . . 38 ILE CB . 17383 1 49 . 1 1 10 10 ILE N N 15 122.421 . . 1 . . . . 38 ILE N . 17383 1 50 . 1 1 11 11 CYS H H 1 8.240 . . 1 . . . . 39 CYS HN . 17383 1 51 . 1 1 11 11 CYS HA H 1 4.589 . . 1 . . . . 39 CYS HA . 17383 1 52 . 1 1 11 11 CYS CA C 13 59.322 . . 1 . . . . 39 CYS CA . 17383 1 53 . 1 1 11 11 CYS CB C 13 31.036 . . 1 . . . . 39 CYS CB . 17383 1 54 . 1 1 11 11 CYS N N 15 117.943 . . 1 . . . . 39 CYS N . 17383 1 55 . 1 1 12 12 GLU H H 1 7.496 . . 1 . . . . 40 GLU HN . 17383 1 56 . 1 1 12 12 GLU HA H 1 3.914 . . 1 . . . . 40 GLU HA . 17383 1 57 . 1 1 12 12 GLU CA C 13 58.070 . . 1 . . . . 40 GLU CA . 17383 1 58 . 1 1 12 12 GLU CB C 13 26.699 . . 1 . . . . 40 GLU CB . 17383 1 59 . 1 1 12 12 GLU N N 15 113.915 . . 1 . . . . 40 GLU N . 17383 1 60 . 1 1 13 13 THR H H 1 8.463 . . 1 . . . . 41 THR HN . 17383 1 61 . 1 1 13 13 THR HA H 1 4.251 . . 1 . . . . 41 THR HA . 17383 1 62 . 1 1 13 13 THR HB H 1 4.626 . . 1 . . . . 41 THR HB . 17383 1 63 . 1 1 13 13 THR CA C 13 62.208 . . 1 . . . . 41 THR CA . 17383 1 64 . 1 1 13 13 THR CB C 13 70.690 . . 1 . . . . 41 THR CB . 17383 1 65 . 1 1 13 13 THR N N 15 115.758 . . 1 . . . . 41 THR N . 17383 1 66 . 1 1 14 14 THR H H 1 8.791 . . 1 . . . . 42 THR HN . 17383 1 67 . 1 1 14 14 THR HA H 1 4.422 . . 1 . . . . 42 THR HA . 17383 1 68 . 1 1 14 14 THR CA C 13 60.862 . . 1 . . . . 42 THR CA . 17383 1 69 . 1 1 14 14 THR N N 15 121.689 . . 1 . . . . 42 THR N . 17383 1 70 . 1 1 15 15 PRO HA H 1 4.326 . . 1 . . . . 43 PRO HA . 17383 1 71 . 1 1 15 15 PRO CA C 13 61.956 . . 1 . . . . 43 PRO CA . 17383 1 72 . 1 1 16 16 VAL H H 1 9.959 . . 1 . . . . 44 VAL HN . 17383 1 73 . 1 1 16 16 VAL HA H 1 4.026 . . 1 . . . . 44 VAL HA . 17383 1 74 . 1 1 16 16 VAL HB H 1 2.301 . . 1 . . . . 44 VAL HB . 17383 1 75 . 1 1 16 16 VAL CA C 13 63.696 . . 1 . . . . 44 VAL CA . 17383 1 76 . 1 1 16 16 VAL CB C 13 32.182 . . 1 . . . . 44 VAL CB . 17383 1 77 . 1 1 16 16 VAL N N 15 115.711 . . 1 . . . . 44 VAL N . 17383 1 78 . 1 1 17 17 ASN H H 1 7.442 . . 1 . . . . 45 ASN HN . 17383 1 79 . 1 1 17 17 ASN HA H 1 4.514 . . 1 . . . . 45 ASN HA . 17383 1 80 . 1 1 17 17 ASN CA C 13 52.236 . . 1 . . . . 45 ASN CA . 17383 1 81 . 1 1 17 17 ASN CB C 13 39.547 . . 1 . . . . 45 ASN CB . 17383 1 82 . 1 1 17 17 ASN N N 15 112.059 . . 1 . . . . 45 ASN N . 17383 1 83 . 1 1 18 18 ALA H H 1 8.841 . . 1 . . . . 46 ALA HN . 17383 1 84 . 1 1 18 18 ALA HA H 1 4.176 . . 1 . . . . 46 ALA HA . 17383 1 85 . 1 1 18 18 ALA CA C 13 55.854 . . 1 . . . . 46 ALA CA . 17383 1 86 . 1 1 18 18 ALA CB C 13 18.389 . . 1 . . . . 46 ALA CB . 17383 1 87 . 1 1 18 18 ALA N N 15 121.144 . . 1 . . . . 46 ALA N . 17383 1 88 . 1 1 19 19 ILE H H 1 7.816 . . 1 . . . . 47 ILE HN . 17383 1 89 . 1 1 19 19 ILE HA H 1 3.914 . . 1 . . . . 47 ILE HA . 17383 1 90 . 1 1 19 19 ILE HB H 1 1.851 . . 1 . . . . 47 ILE HB . 17383 1 91 . 1 1 19 19 ILE CA C 13 64.077 . . 1 . . . . 47 ILE CA . 17383 1 92 . 1 1 19 19 ILE CB C 13 37.537 . . 1 . . . . 47 ILE CB . 17383 1 93 . 1 1 19 19 ILE N N 15 120.643 . . 1 . . . . 47 ILE N . 17383 1 94 . 1 1 20 20 ASP H H 1 8.261 . . 1 . . . . 48 ASP HN . 17383 1 95 . 1 1 20 20 ASP HA H 1 4.694 . . 1 . . . . 48 ASP HA . 17383 1 96 . 1 1 20 20 ASP CA C 13 56.461 . . 1 . . . . 48 ASP CA . 17383 1 97 . 1 1 20 20 ASP CB C 13 41.389 . . 1 . . . . 48 ASP CB . 17383 1 98 . 1 1 20 20 ASP N N 15 120.423 . . 1 . . . . 48 ASP N . 17383 1 99 . 1 1 21 21 ALA HA H 1 3.839 . . 1 . . . . 49 ALA HA . 17383 1 100 . 1 1 21 21 ALA CA C 13 56.109 . . 1 . . . . 49 ALA CA . 17383 1 101 . 1 1 21 21 ALA CB C 13 17.850 . . 1 . . . . 49 ALA CB . 17383 1 102 . 1 1 22 22 GLU H H 1 7.715 . . 1 . . . . 50 GLU HN . 17383 1 103 . 1 1 22 22 GLU HA H 1 4.214 . . 1 . . . . 50 GLU HA . 17383 1 104 . 1 1 22 22 GLU CA C 13 59.496 . . 1 . . . . 50 GLU CA . 17383 1 105 . 1 1 22 22 GLU CB C 13 29.367 . . 1 . . . . 50 GLU CB . 17383 1 106 . 1 1 22 22 GLU N N 15 119.591 . . 1 . . . . 50 GLU N . 17383 1 107 . 1 1 23 23 MET H H 1 7.992 . . 1 . . . . 51 MET HN . 17383 1 108 . 1 1 23 23 MET HA H 1 4.269 . . 1 . . . . 51 MET HA . 17383 1 109 . 1 1 23 23 MET CA C 13 58.283 . . 1 . . . . 51 MET CA . 17383 1 110 . 1 1 23 23 MET CB C 13 31.891 . . 1 . . . . 51 MET CB . 17383 1 111 . 1 1 23 23 MET N N 15 118.274 . . 1 . . . . 51 MET N . 17383 1 112 . 1 1 24 24 HIS H H 1 8.068 . . 1 . . . . 52 HIS HN . 17383 1 113 . 1 1 24 24 HIS HA H 1 4.739 . . 1 . . . . 52 HIS HA . 17383 1 114 . 1 1 24 24 HIS CA C 13 60.871 . . 1 . . . . 52 HIS CA . 17383 1 115 . 1 1 24 24 HIS CB C 13 29.995 . . 1 . . . . 52 HIS CB . 17383 1 116 . 1 1 24 24 HIS N N 15 120.999 . . 1 . . . . 52 HIS N . 17383 1 117 . 1 1 25 25 ASP H H 1 8.068 . . 1 . . . . 53 ASP HN . 17383 1 118 . 1 1 25 25 ASP HA H 1 4.476 . . 1 . . . . 53 ASP HA . 17383 1 119 . 1 1 25 25 ASP CA C 13 57.838 . . 1 . . . . 53 ASP CA . 17383 1 120 . 1 1 25 25 ASP CB C 13 40.828 . . 1 . . . . 53 ASP CB . 17383 1 121 . 1 1 25 25 ASP N N 15 120.713 . . 1 . . . . 53 ASP N . 17383 1 122 . 1 1 26 26 LEU H H 1 7.939 . . 1 . . . . 54 LEU HN . 17383 1 123 . 1 1 26 26 LEU HA H 1 4.364 . . 1 . . . . 54 LEU HA . 17383 1 124 . 1 1 26 26 LEU CA C 13 56.467 . . 1 . . . . 54 LEU CA . 17383 1 125 . 1 1 26 26 LEU CB C 13 43.880 . . 1 . . . . 54 LEU CB . 17383 1 126 . 1 1 26 26 LEU N N 15 116.467 . . 1 . . . . 54 LEU N . 17383 1 127 . 1 1 27 27 ASN H H 1 7.547 . . 1 . . . . 55 ASN HN . 17383 1 128 . 1 1 27 27 ASN HA H 1 5.001 . . 1 . . . . 55 ASN HA . 17383 1 129 . 1 1 27 27 ASN CA C 13 56.913 . . 1 . . . . 55 ASN CA . 17383 1 130 . 1 1 27 27 ASN CB C 13 41.143 . . 1 . . . . 55 ASN CB . 17383 1 131 . 1 1 27 27 ASN N N 15 114.750 . . 1 . . . . 55 ASN N . 17383 1 132 . 1 1 28 28 CYS H H 1 9.048 . . 1 . . . . 56 CYS HN . 17383 1 133 . 1 1 28 28 CYS HA H 1 4.064 . . 1 . . . . 56 CYS HA . 17383 1 134 . 1 1 28 28 CYS CA C 13 66.429 . . 1 . . . . 56 CYS CA . 17383 1 135 . 1 1 28 28 CYS CB C 13 28.008 . . 1 . . . . 56 CYS CB . 17383 1 136 . 1 1 28 28 CYS N N 15 124.595 . . 1 . . . . 56 CYS N . 17383 1 137 . 1 1 29 29 SER H H 1 8.261 . . 1 . . . . 57 SER HN . 17383 1 138 . 1 1 29 29 SER HA H 1 3.914 . . 1 . . . . 57 SER HA . 17383 1 139 . 1 1 29 29 SER CA C 13 60.916 . . 1 . . . . 57 SER CA . 17383 1 140 . 1 1 29 29 SER CB C 13 62.228 . . 1 . . . . 57 SER CB . 17383 1 141 . 1 1 29 29 SER N N 15 112.566 . . 1 . . . . 57 SER N . 17383 1 142 . 1 1 30 30 TYR H H 1 7.530 . . 1 . . . . 58 TYR HN . 17383 1 143 . 1 1 30 30 TYR HA H 1 4.551 . . 1 . . . . 58 TYR HA . 17383 1 144 . 1 1 30 30 TYR CA C 13 57.310 . . 1 . . . . 58 TYR CA . 17383 1 145 . 1 1 30 30 TYR CB C 13 38.507 . . 1 . . . . 58 TYR CB . 17383 1 146 . 1 1 30 30 TYR N N 15 119.570 . . 1 . . . . 58 TYR N . 17383 1 147 . 1 1 31 31 ASN H H 1 8.169 . . 1 . . . . 59 ASN HN . 17383 1 148 . 1 1 31 31 ASN HA H 1 4.139 . . 1 . . . . 59 ASN HA . 17383 1 149 . 1 1 31 31 ASN CA C 13 55.159 . . 1 . . . . 59 ASN CA . 17383 1 150 . 1 1 31 31 ASN CB C 13 36.838 . . 1 . . . . 59 ASN CB . 17383 1 151 . 1 1 31 31 ASN N N 15 114.116 . . 1 . . . . 59 ASN N . 17383 1 152 . 1 1 32 32 ILE H H 1 7.328 . . 1 . . . . 60 ILE HN . 17383 1 153 . 1 1 32 32 ILE HA H 1 4.502 . . 1 . . . . 60 ILE HA . 17383 1 154 . 1 1 32 32 ILE CA C 13 58.937 . . 1 . . . . 60 ILE CA . 17383 1 155 . 1 1 32 32 ILE CB C 13 40.207 . . 1 . . . . 60 ILE CB . 17383 1 156 . 1 1 32 32 ILE N N 15 119.165 . . 1 . . . . 60 ILE N . 17383 1 157 . 1 1 33 33 CYS HA H 1 4.373 . . 1 . . . . 61 CYS HA . 17383 1 158 . 1 1 33 33 CYS CA C 13 58.960 . . 1 . . . . 61 CYS CA . 17383 1 159 . 1 1 33 33 CYS CB C 13 40.229 . . 1 . . . . 61 CYS CB . 17383 1 160 . 1 1 34 34 PRO HA H 1 3.951 . . 1 . . . . 62 PRO HA . 17383 1 161 . 1 1 34 34 PRO CA C 13 60.274 . . 1 . . . . 62 PRO CA . 17383 1 162 . 1 1 34 34 PRO CB C 13 31.579 . . 1 . . . . 62 PRO CB . 17383 1 163 . 1 1 35 35 TYR H H 1 9.245 . . 1 . . . . 63 TYR HN . 17383 1 164 . 1 1 35 35 TYR HA H 1 4.551 . . 1 . . . . 63 TYR HA . 17383 1 165 . 1 1 35 35 TYR CA C 13 59.625 . . 1 . . . . 63 TYR CA . 17383 1 166 . 1 1 35 35 TYR CB C 13 39.249 . . 1 . . . . 63 TYR CB . 17383 1 167 . 1 1 35 35 TYR N N 15 120.011 . . 1 . . . . 63 TYR N . 17383 1 168 . 1 1 36 36 CYS H H 1 8.505 . . 1 . . . . 64 CYS HN . 17383 1 169 . 1 1 36 36 CYS HA H 1 5.001 . . 1 . . . . 64 CYS HA . 17383 1 170 . 1 1 36 36 CYS CA C 13 58.158 . . 1 . . . . 64 CYS CA . 17383 1 171 . 1 1 36 36 CYS CB C 13 32.484 . . 1 . . . . 64 CYS CB . 17383 1 172 . 1 1 36 36 CYS N N 15 117.569 . . 1 . . . . 64 CYS N . 17383 1 173 . 1 1 37 37 ALA H H 1 7.774 . . 1 . . . . 65 ALA HN . 17383 1 174 . 1 1 37 37 ALA HA H 1 4.064 . . 1 . . . . 65 ALA HA . 17383 1 175 . 1 1 37 37 ALA CA C 13 53.975 . . 1 . . . . 65 ALA CA . 17383 1 176 . 1 1 37 37 ALA CB C 13 16.705 . . 1 . . . . 65 ALA CB . 17383 1 177 . 1 1 37 37 ALA N N 15 121.088 . . 1 . . . . 65 ALA N . 17383 1 178 . 1 1 38 38 SER H H 1 8.131 . . 1 . . . . 66 SER HN . 17383 1 179 . 1 1 38 38 SER HA H 1 4.214 . . 1 . . . . 66 SER HA . 17383 1 180 . 1 1 38 38 SER CA C 13 60.741 . . 1 . . . . 66 SER CA . 17383 1 181 . 1 1 38 38 SER CB C 13 62.814 . . 1 . . . . 66 SER CB . 17383 1 182 . 1 1 38 38 SER N N 15 117.192 . . 1 . . . . 66 SER N . 17383 1 183 . 1 1 39 39 ARG H H 1 8.425 . . 1 . . . . 67 ARG HN . 17383 1 184 . 1 1 39 39 ARG HA H 1 4.514 . . 1 . . . . 67 ARG HA . 17383 1 185 . 1 1 39 39 ARG CA C 13 56.361 . . 1 . . . . 67 ARG CA . 17383 1 186 . 1 1 39 39 ARG CB C 13 30.086 . . 1 . . . . 67 ARG CB . 17383 1 187 . 1 1 39 39 ARG N N 15 123.723 . . 1 . . . . 67 ARG N . 17383 1 188 . 1 1 40 40 LEU H H 1 8.555 . . 1 . . . . 68 LEU HN . 17383 1 189 . 1 1 40 40 LEU HA H 1 4.712 . . 1 . . . . 68 LEU HA . 17383 1 190 . 1 1 40 40 LEU CA C 13 52.718 . . 1 . . . . 68 LEU CA . 17383 1 191 . 1 1 40 40 LEU CB C 13 43.474 . . 1 . . . . 68 LEU CB . 17383 1 192 . 1 1 40 40 LEU N N 15 129.550 . . 1 . . . . 68 LEU N . 17383 1 193 . 1 1 41 41 THR H H 1 7.544 . . 1 . . . . 69 THR HN . 17383 1 194 . 1 1 41 41 THR HA H 1 4.551 . . 1 . . . . 69 THR HA . 17383 1 195 . 1 1 41 41 THR CA C 13 60.455 . . 1 . . . . 69 THR CA . 17383 1 196 . 1 1 41 41 THR CB C 13 70.951 . . 1 . . . . 69 THR CB . 17383 1 197 . 1 1 41 41 THR N N 15 108.645 . . 1 . . . . 69 THR N . 17383 1 198 . 1 1 42 42 SER H H 1 8.934 . . 1 . . . . 70 SER HN . 17383 1 199 . 1 1 42 42 SER HA H 1 4.139 . . 1 . . . . 70 SER HA . 17383 1 200 . 1 1 42 42 SER CA C 13 61.501 . . 1 . . . . 70 SER CA . 17383 1 201 . 1 1 42 42 SER CB C 13 62.535 . . 1 . . . . 70 SER CB . 17383 1 202 . 1 1 42 42 SER N N 15 117.320 . . 1 . . . . 70 SER N . 17383 1 203 . 1 1 43 43 ASP H H 1 8.354 . . 1 . . . . 71 ASP HN . 17383 1 204 . 1 1 43 43 ASP HA H 1 4.589 . . 1 . . . . 71 ASP HA . 17383 1 205 . 1 1 43 43 ASP CA C 13 55.178 . . 1 . . . . 71 ASP CA . 17383 1 206 . 1 1 43 43 ASP CB C 13 40.374 . . 1 . . . . 71 ASP CB . 17383 1 207 . 1 1 43 43 ASP N N 15 117.899 . . 1 . . . . 71 ASP N . 17383 1 208 . 1 1 44 44 GLY H H 1 7.715 . . 1 . . . . 72 GLY HN . 17383 1 209 . 1 1 44 44 GLY HA2 H 1 3.714 . . 2 . . . . 72 GLY HA2 . 17383 1 210 . 1 1 44 44 GLY HA3 H 1 4.278 . . 2 . . . . 72 GLY HA3 . 17383 1 211 . 1 1 44 44 GLY CA C 13 45.266 . . 1 . . . . 72 GLY CA . 17383 1 212 . 1 1 44 44 GLY N N 15 106.453 . . 1 . . . . 72 GLY N . 17383 1 213 . 1 1 45 45 LEU H H 1 7.702 . . 1 . . . . 73 LEU HN . 17383 1 214 . 1 1 45 45 LEU HA H 1 4.026 . . 1 . . . . 73 LEU HA . 17383 1 215 . 1 1 45 45 LEU CA C 13 59.430 . . 1 . . . . 73 LEU CA . 17383 1 216 . 1 1 45 45 LEU CB C 13 41.957 . . 1 . . . . 73 LEU CB . 17383 1 217 . 1 1 45 45 LEU N N 15 123.902 . . 1 . . . . 73 LEU N . 17383 1 218 . 1 1 46 46 ALA H H 1 8.732 . . 1 . . . . 74 ALA HN . 17383 1 219 . 1 1 46 46 ALA HA H 1 4.289 . . 1 . . . . 74 ALA HA . 17383 1 220 . 1 1 46 46 ALA CA C 13 56.229 . . 1 . . . . 74 ALA CA . 17383 1 221 . 1 1 46 46 ALA CB C 13 18.007 . . 1 . . . . 74 ALA CB . 17383 1 222 . 1 1 46 46 ALA N N 15 121.273 . . 1 . . . . 74 ALA N . 17383 1 223 . 1 1 47 47 ARG H H 1 8.287 . . 1 . . . . 75 ARG HN . 17383 1 224 . 1 1 47 47 ARG HA H 1 4.064 . . 1 . . . . 75 ARG HA . 17383 1 225 . 1 1 47 47 ARG CA C 13 58.343 . . 1 . . . . 75 ARG CA . 17383 1 226 . 1 1 47 47 ARG CB C 13 30.122 . . 1 . . . . 75 ARG CB . 17383 1 227 . 1 1 47 47 ARG N N 15 117.070 . . 1 . . . . 75 ARG N . 17383 1 228 . 1 1 48 48 HIS H H 1 7.799 . . 1 . . . . 76 HIS HN . 17383 1 229 . 1 1 48 48 HIS HA H 1 4.251 . . 1 . . . . 76 HIS HA . 17383 1 230 . 1 1 48 48 HIS CA C 13 59.690 . . 1 . . . . 76 HIS CA . 17383 1 231 . 1 1 48 48 HIS CB C 13 29.060 . . 1 . . . . 76 HIS CB . 17383 1 232 . 1 1 48 48 HIS N N 15 116.129 . . 1 . . . . 76 HIS N . 17383 1 233 . 1 1 49 49 VAL H H 1 8.869 . . 1 . . . . 77 VAL HN . 17383 1 234 . 1 1 49 49 VAL HA H 1 3.576 . . 1 . . . . 77 VAL HA . 17383 1 235 . 1 1 49 49 VAL HB H 1 2.263 . . 1 . . . . 77 VAL HB . 17383 1 236 . 1 1 49 49 VAL CA C 13 67.776 . . 1 . . . . 77 VAL CA . 17383 1 237 . 1 1 49 49 VAL CB C 13 32.400 . . 1 . . . . 77 VAL CB . 17383 1 238 . 1 1 49 49 VAL N N 15 119.033 . . 1 . . . . 77 VAL N . 17383 1 239 . 1 1 50 50 THR H H 1 7.723 . . 1 . . . . 78 THR HN . 17383 1 240 . 1 1 50 50 THR HA H 1 3.870 . . 1 . . . . 78 THR HA . 17383 1 241 . 1 1 50 50 THR CA C 13 65.714 . . 1 . . . . 78 THR CA . 17383 1 242 . 1 1 50 50 THR CB C 13 69.058 . . 1 . . . . 78 THR CB . 17383 1 243 . 1 1 50 50 THR N N 15 110.079 . . 1 . . . . 78 THR N . 17383 1 244 . 1 1 51 51 GLN H H 1 7.017 . . 1 . . . . 79 GLN HN . 17383 1 245 . 1 1 51 51 GLN HA H 1 4.476 . . 1 . . . . 79 GLN HA . 17383 1 246 . 1 1 51 51 GLN CA C 13 54.277 . . 1 . . . . 79 GLN CA . 17383 1 247 . 1 1 51 51 GLN CB C 13 29.278 . . 1 . . . . 79 GLN CB . 17383 1 248 . 1 1 51 51 GLN N N 15 116.322 . . 1 . . . . 79 GLN N . 17383 1 249 . 1 1 52 52 CYS H H 1 7.253 . . 1 . . . . 80 CYS HN . 17383 1 250 . 1 1 52 52 CYS HA H 1 3.973 . . 1 . . . . 80 CYS HA . 17383 1 251 . 1 1 52 52 CYS CA C 13 58.624 . . 1 . . . . 80 CYS CA . 17383 1 252 . 1 1 52 52 CYS N N 15 127.046 . . 1 . . . . 80 CYS N . 17383 1 253 . 1 1 53 53 PRO HA H 1 4.326 . . 1 . . . . 81 PRO HA . 17383 1 254 . 1 1 53 53 PRO CA C 13 65.023 . . 1 . . . . 81 PRO CA . 17383 1 255 . 1 1 54 54 LYS H H 1 8.163 . . 1 . . . . 82 LYS HN . 17383 1 256 . 1 1 54 54 LYS HA H 1 4.289 . . 1 . . . . 82 LYS HA . 17383 1 257 . 1 1 54 54 LYS CA C 13 56.558 . . 1 . . . . 82 LYS CA . 17383 1 258 . 1 1 54 54 LYS CB C 13 32.063 . . 1 . . . . 82 LYS CB . 17383 1 259 . 1 1 54 54 LYS N N 15 117.973 . . 1 . . . . 82 LYS N . 17383 1 260 . 1 1 55 55 ARG H H 1 7.152 . . 1 . . . . 83 ARG HN . 17383 1 261 . 1 1 55 55 ARG HA H 1 3.089 . . 1 . . . . 83 ARG HA . 17383 1 262 . 1 1 55 55 ARG CA C 13 59.477 . . 1 . . . . 83 ARG CA . 17383 1 263 . 1 1 55 55 ARG CB C 13 29.781 . . 1 . . . . 83 ARG CB . 17383 1 264 . 1 1 55 55 ARG N N 15 123.340 . . 1 . . . . 83 ARG N . 17383 1 265 . 1 1 56 56 LYS H H 1 7.499 . . 1 . . . . 84 LYS HN . 17383 1 266 . 1 1 56 56 LYS HA H 1 3.764 . . 1 . . . . 84 LYS HA . 17383 1 267 . 1 1 56 56 LYS CA C 13 59.641 . . 1 . . . . 84 LYS CA . 17383 1 268 . 1 1 56 56 LYS CB C 13 31.826 . . 1 . . . . 84 LYS CB . 17383 1 269 . 1 1 56 56 LYS N N 15 118.510 . . 1 . . . . 84 LYS N . 17383 1 270 . 1 1 57 57 GLU H H 1 7.698 . . 1 . . . . 85 GLU HN . 17383 1 271 . 1 1 57 57 GLU HA H 1 4.345 . . 1 . . . . 85 GLU HA . 17383 1 272 . 1 1 57 57 GLU CA C 13 59.048 . . 1 . . . . 85 GLU CA . 17383 1 273 . 1 1 57 57 GLU CB C 13 30.156 . . 1 . . . . 85 GLU CB . 17383 1 274 . 1 1 57 57 GLU N N 15 116.424 . . 1 . . . . 85 GLU N . 17383 1 275 . 1 1 58 58 LYS H H 1 7.906 . . 1 . . . . 86 LYS HN . 17383 1 276 . 1 1 58 58 LYS HA H 1 4.289 . . 1 . . . . 86 LYS HA . 17383 1 277 . 1 1 58 58 LYS CA C 13 57.794 . . 1 . . . . 86 LYS CA . 17383 1 278 . 1 1 58 58 LYS CB C 13 30.924 . . 1 . . . . 86 LYS CB . 17383 1 279 . 1 1 58 58 LYS N N 15 120.976 . . 1 . . . . 86 LYS N . 17383 1 280 . 1 1 59 59 VAL H H 1 8.491 . . 1 . . . . 87 VAL HN . 17383 1 281 . 1 1 59 59 VAL HA H 1 3.651 . . 1 . . . . 87 VAL HA . 17383 1 282 . 1 1 59 59 VAL HB H 1 2.113 . . 1 . . . . 87 VAL HB . 17383 1 283 . 1 1 59 59 VAL CA C 13 66.372 . . 1 . . . . 87 VAL CA . 17383 1 284 . 1 1 59 59 VAL CB C 13 31.782 . . 1 . . . . 87 VAL CB . 17383 1 285 . 1 1 59 59 VAL N N 15 121.284 . . 1 . . . . 87 VAL N . 17383 1 286 . 1 1 60 60 GLU H H 1 8.144 . . 1 . . . . 88 GLU HN . 17383 1 287 . 1 1 60 60 GLU HA H 1 4.064 . . 1 . . . . 88 GLU HA . 17383 1 288 . 1 1 60 60 GLU CA C 13 59.269 . . 1 . . . . 88 GLU CA . 17383 1 289 . 1 1 60 60 GLU CB C 13 29.217 . . 1 . . . . 88 GLU CB . 17383 1 290 . 1 1 60 60 GLU N N 15 120.018 . . 1 . . . . 88 GLU N . 17383 1 291 . 1 1 61 61 GLU H H 1 7.976 . . 1 . . . . 89 GLU HN . 17383 1 292 . 1 1 61 61 GLU HA H 1 4.139 . . 1 . . . . 89 GLU HA . 17383 1 293 . 1 1 61 61 GLU CA C 13 58.888 . . 1 . . . . 89 GLU CA . 17383 1 294 . 1 1 61 61 GLU CB C 13 30.041 . . 1 . . . . 89 GLU CB . 17383 1 295 . 1 1 61 61 GLU N N 15 119.297 . . 1 . . . . 89 GLU N . 17383 1 296 . 1 1 62 62 THR H H 1 7.816 . . 1 . . . . 90 THR HN . 17383 1 297 . 1 1 62 62 THR HA H 1 4.326 . . 1 . . . . 90 THR HA . 17383 1 298 . 1 1 62 62 THR HB H 1 4.176 . . 1 . . . . 90 THR HB . 17383 1 299 . 1 1 62 62 THR CA C 13 65.117 . . 1 . . . . 90 THR CA . 17383 1 300 . 1 1 62 62 THR CB C 13 69.298 . . 1 . . . . 90 THR CB . 17383 1 301 . 1 1 62 62 THR N N 15 112.852 . . 1 . . . . 90 THR N . 17383 1 302 . 1 1 63 63 GLU H H 1 7.925 . . 1 . . . . 91 GLU HN . 17383 1 303 . 1 1 63 63 GLU HA H 1 4.101 . . 1 . . . . 91 GLU HA . 17383 1 304 . 1 1 63 63 GLU CA C 13 58.274 . . 1 . . . . 91 GLU CA . 17383 1 305 . 1 1 63 63 GLU CB C 13 29.733 . . 1 . . . . 91 GLU CB . 17383 1 306 . 1 1 63 63 GLU N N 15 121.224 . . 1 . . . . 91 GLU N . 17383 1 307 . 1 1 64 64 LEU H H 1 7.806 . . 1 . . . . 92 LEU HN . 17383 1 308 . 1 1 64 64 LEU HA H 1 4.139 . . 1 . . . . 92 LEU HA . 17383 1 309 . 1 1 64 64 LEU CA C 13 56.862 . . 1 . . . . 92 LEU CA . 17383 1 310 . 1 1 64 64 LEU CB C 13 41.952 . . 1 . . . . 92 LEU CB . 17383 1 311 . 1 1 64 64 LEU N N 15 120.317 . . 1 . . . . 92 LEU N . 17383 1 312 . 1 1 65 65 TYR H H 1 7.782 . . 1 . . . . 93 TYR HN . 17383 1 313 . 1 1 65 65 TYR HA H 1 4.364 . . 1 . . . . 93 TYR HA . 17383 1 314 . 1 1 65 65 TYR CA C 13 59.157 . . 1 . . . . 93 TYR CA . 17383 1 315 . 1 1 65 65 TYR CB C 13 38.141 . . 1 . . . . 93 TYR CB . 17383 1 316 . 1 1 65 65 TYR N N 15 118.117 . . 1 . . . . 93 TYR N . 17383 1 317 . 1 1 66 66 LEU H H 1 7.880 . . 1 . . . . 94 LEU HN . 17383 1 318 . 1 1 66 66 LEU HA H 1 4.176 . . 1 . . . . 94 LEU HA . 17383 1 319 . 1 1 66 66 LEU CA C 13 56.315 . . 1 . . . . 94 LEU CA . 17383 1 320 . 1 1 66 66 LEU CB C 13 42.259 . . 1 . . . . 94 LEU CB . 17383 1 321 . 1 1 66 66 LEU N N 15 120.907 . . 1 . . . . 94 LEU N . 17383 1 322 . 1 1 67 67 ASN H H 1 8.079 . . 1 . . . . 95 ASN HN . 17383 1 323 . 1 1 67 67 ASN HA H 1 4.626 . . 1 . . . . 95 ASN HA . 17383 1 324 . 1 1 67 67 ASN CA C 13 53.874 . . 1 . . . . 95 ASN CA . 17383 1 325 . 1 1 67 67 ASN CB C 13 38.588 . . 1 . . . . 95 ASN CB . 17383 1 326 . 1 1 67 67 ASN N N 15 117.450 . . 1 . . . . 95 ASN N . 17383 1 327 . 1 1 68 68 LEU H H 1 7.946 . . 1 . . . . 96 LEU HN . 17383 1 328 . 1 1 68 68 LEU HA H 1 4.251 . . 1 . . . . 96 LEU HA . 17383 1 329 . 1 1 68 68 LEU CA C 13 55.975 . . 1 . . . . 96 LEU CA . 17383 1 330 . 1 1 68 68 LEU CB C 13 42.263 . . 1 . . . . 96 LEU CB . 17383 1 331 . 1 1 68 68 LEU N N 15 121.130 . . 1 . . . . 96 LEU N . 17383 1 332 . 1 1 69 69 GLU H H 1 8.127 . . 1 . . . . 97 GLU HN . 17383 1 333 . 1 1 69 69 GLU HA H 1 4.176 . . 1 . . . . 97 GLU HA . 17383 1 334 . 1 1 69 69 GLU CA C 13 56.969 . . 1 . . . . 97 GLU CA . 17383 1 335 . 1 1 69 69 GLU CB C 13 29.997 . . 1 . . . . 97 GLU CB . 17383 1 336 . 1 1 69 69 GLU N N 15 119.590 . . 1 . . . . 97 GLU N . 17383 1 337 . 1 1 70 70 ARG H H 1 7.950 . . 1 . . . . 98 ARG HN . 17383 1 338 . 1 1 70 70 ARG HA H 1 4.251 . . 1 . . . . 98 ARG HA . 17383 1 339 . 1 1 70 70 ARG CA C 13 56.022 . . 1 . . . . 98 ARG CA . 17383 1 340 . 1 1 70 70 ARG CB C 13 30.536 . . 1 . . . . 98 ARG CB . 17383 1 341 . 1 1 70 70 ARG N N 15 120.021 . . 1 . . . . 98 ARG N . 17383 1 342 . 1 1 71 71 ILE H H 1 7.976 . . 1 . . . . 99 ILE HN . 17383 1 343 . 1 1 71 71 ILE CA C 13 58.954 . . 1 . . . . 99 ILE CA . 17383 1 344 . 1 1 71 71 ILE CB C 13 38.288 . . 1 . . . . 99 ILE CB . 17383 1 345 . 1 1 71 71 ILE N N 15 122.825 . . 1 . . . . 99 ILE N . 17383 1 346 . 1 1 72 72 PRO HA H 1 4.364 . . 1 . . . . 100 PRO HA . 17383 1 347 . 1 1 72 72 PRO CA C 13 63.604 . . 1 . . . . 100 PRO CA . 17383 1 348 . 1 1 72 72 PRO CB C 13 31.793 . . 1 . . . . 100 PRO CB . 17383 1 349 . 1 1 73 73 TRP H H 1 7.849 . . 1 . . . . 101 TRP HN . 17383 1 350 . 1 1 73 73 TRP HA H 1 4.626 . . 1 . . . . 101 TRP HA . 17383 1 351 . 1 1 73 73 TRP CA C 13 57.052 . . 1 . . . . 101 TRP CA . 17383 1 352 . 1 1 73 73 TRP CB C 13 29.368 . . 1 . . . . 101 TRP CB . 17383 1 353 . 1 1 73 73 TRP N N 15 120.483 . . 1 . . . . 101 TRP N . 17383 1 354 . 1 1 74 74 VAL H H 1 7.690 . . 1 . . . . 102 VAL HN . 17383 1 355 . 1 1 74 74 VAL HA H 1 3.989 . . 1 . . . . 102 VAL HA . 17383 1 356 . 1 1 74 74 VAL HB H 1 1.888 . . 1 . . . . 102 VAL HB . 17383 1 357 . 1 1 74 74 VAL CA C 13 62.197 . . 1 . . . . 102 VAL CA . 17383 1 358 . 1 1 74 74 VAL N N 15 122.073 . . 1 . . . . 102 VAL N . 17383 1 359 . 1 1 75 75 VAL H H 1 8.068 . . 1 . . . . 103 VAL HN . 17383 1 360 . 1 1 75 75 VAL HA H 1 3.951 . . 1 . . . . 103 VAL HA . 17383 1 361 . 1 1 75 75 VAL HB H 1 1.963 . . 1 . . . . 103 VAL HB . 17383 1 362 . 1 1 75 75 VAL CA C 13 62.279 . . 1 . . . . 103 VAL CA . 17383 1 363 . 1 1 75 75 VAL CB C 13 32.627 . . 1 . . . . 103 VAL CB . 17383 1 364 . 1 1 75 75 VAL N N 15 124.564 . . 1 . . . . 103 VAL N . 17383 1 365 . 1 1 76 76 ARG H H 1 8.299 . . 1 . . . . 104 ARG HN . 17383 1 366 . 1 1 76 76 ARG HA H 1 4.326 . . 1 . . . . 104 ARG HA . 17383 1 367 . 1 1 76 76 ARG CA C 13 55.977 . . 1 . . . . 104 ARG CA . 17383 1 368 . 1 1 76 76 ARG CB C 13 30.803 . . 1 . . . . 104 ARG CB . 17383 1 369 . 1 1 76 76 ARG N N 15 126.441 . . 1 . . . . 104 ARG N . 17383 1 370 . 1 1 77 77 LYS H H 1 7.967 . . 1 . . . . 105 LYS HN . 17383 1 371 . 1 1 77 77 LYS CA C 13 57.824 . . 1 . . . . 105 LYS CA . 17383 1 372 . 1 1 77 77 LYS CB C 13 33.685 . . 1 . . . . 105 LYS CB . 17383 1 373 . 1 1 77 77 LYS N N 15 128.702 . . 1 . . . . 105 LYS N . 17383 1 stop_ save_