################################### # 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 50433 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chemical_shifts_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 $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' . . . 50433 1 2 '3D HNCACB' . . . 50433 1 3 '3D HNCO' . . . 50433 1 4 '3D CBCA(CO)NH' . . . 50433 1 5 '3D HNCACO' . . . 50433 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 . . 50433 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 MET C C 13 175.964 0.00 . . . . . . . 43 MET CO . 50433 1 2 . 1 . 1 1 1 MET CA C 13 55.624 0.00 . . . . . . . 43 MET CA . 50433 1 3 . 1 . 1 1 1 MET CB C 13 32.716 0.07 . . . . . . . 43 MET CB . 50433 1 4 . 1 . 1 2 2 GLU H H 1 8.527 0.00 . . . . . . . 44 GLU H . 50433 1 5 . 1 . 1 2 2 GLU C C 13 176.822 0.00 . . . . . . . 44 GLU CO . 50433 1 6 . 1 . 1 2 2 GLU CA C 13 56.630 0.06 . . . . . . . 44 GLU CA . 50433 1 7 . 1 . 1 2 2 GLU CB C 13 30.174 0.00 . . . . . . . 44 GLU CB . 50433 1 8 . 1 . 1 2 2 GLU N N 15 121.572 0.01 . . . . . . . 44 GLU N . 50433 1 9 . 1 . 1 3 3 GLU H H 1 8.556 0.00 . . . . . . . 45 GLU H . 50433 1 10 . 1 . 1 3 3 GLU C C 13 176.582 0.01 . . . . . . . 45 GLU CO . 50433 1 11 . 1 . 1 3 3 GLU CA C 13 57.650 0.05 . . . . . . . 45 GLU CA . 50433 1 12 . 1 . 1 3 3 GLU CB C 13 30.144 0.01 . . . . . . . 45 GLU CB . 50433 1 13 . 1 . 1 3 3 GLU N N 15 121.568 0.02 . . . . . . . 45 GLU N . 50433 1 14 . 1 . 1 4 4 ASP H H 1 8.404 0.00 . . . . . . . 46 ASP H . 50433 1 15 . 1 . 1 4 4 ASP C C 13 176.460 0.00 . . . . . . . 46 ASP CO . 50433 1 16 . 1 . 1 4 4 ASP CA C 13 54.852 0.05 . . . . . . . 46 ASP CA . 50433 1 17 . 1 . 1 4 4 ASP CB C 13 40.984 0.02 . . . . . . . 46 ASP CB . 50433 1 18 . 1 . 1 4 4 ASP N N 15 119.732 0.01 . . . . . . . 46 ASP N . 50433 1 19 . 1 . 1 5 5 SER H H 1 8.105 0.00 . . . . . . . 47 SER H . 50433 1 20 . 1 . 1 5 5 SER C C 13 174.458 0.00 . . . . . . . 47 SER CO . 50433 1 21 . 1 . 1 5 5 SER CA C 13 58.956 0.05 . . . . . . . 47 SER CA . 50433 1 22 . 1 . 1 5 5 SER CB C 13 63.987 0.02 . . . . . . . 47 SER CB . 50433 1 23 . 1 . 1 5 5 SER N N 15 115.026 0.01 . . . . . . . 47 SER N . 50433 1 24 . 1 . 1 6 6 ILE H H 1 8.018 0.00 . . . . . . . 48 ILE H . 50433 1 25 . 1 . 1 6 6 ILE C C 13 175.671 0.00 . . . . . . . 48 ILE CO . 50433 1 26 . 1 . 1 6 6 ILE CA C 13 61.287 0.04 . . . . . . . 48 ILE CA . 50433 1 27 . 1 . 1 6 6 ILE CB C 13 38.204 0.04 . . . . . . . 48 ILE CB . 50433 1 28 . 1 . 1 6 6 ILE N N 15 121.937 0.00 . . . . . . . 48 ILE N . 50433 1 29 . 1 . 1 7 7 ARG H H 1 8.633 0.00 . . . . . . . 49 ARG H . 50433 1 30 . 1 . 1 7 7 ARG C C 13 175.527 0.00 . . . . . . . 49 ARG CO . 50433 1 31 . 1 . 1 7 7 ARG CA C 13 55.146 0.04 . . . . . . . 49 ARG CA . 50433 1 32 . 1 . 1 7 7 ARG CB C 13 30.468 0.00 . . . . . . . 49 ARG CB . 50433 1 33 . 1 . 1 7 7 ARG N N 15 126.555 0.02 . . . . . . . 49 ARG N . 50433 1 34 . 1 . 1 8 8 LEU H H 1 8.200 0.00 . . . . . . . 50 LEU H . 50433 1 35 . 1 . 1 8 8 LEU C C 13 174.806 0.00 . . . . . . . 50 LEU CO . 50433 1 36 . 1 . 1 8 8 LEU CA C 13 52.967 0.00 . . . . . . . 50 LEU CA . 50433 1 37 . 1 . 1 8 8 LEU CB C 13 41.992 0.00 . . . . . . . 50 LEU CB . 50433 1 38 . 1 . 1 8 8 LEU N N 15 124.483 0.01 . . . . . . . 50 LEU N . 50433 1 39 . 1 . 1 9 9 PRO C C 13 177.152 0.00 . . . . . . . 51 PRO CO . 50433 1 40 . 1 . 1 9 9 PRO CA C 13 62.273 0.05 . . . . . . . 51 PRO CA . 50433 1 41 . 1 . 1 9 9 PRO CB C 13 32.308 0.01 . . . . . . . 51 PRO CB . 50433 1 42 . 1 . 1 10 10 ALA H H 1 8.703 0.00 . . . . . . . 52 ALA H . 50433 1 43 . 1 . 1 10 10 ALA C C 13 179.377 0.00 . . . . . . . 52 ALA CO . 50433 1 44 . 1 . 1 10 10 ALA CA C 13 55.786 0.03 . . . . . . . 52 ALA CA . 50433 1 45 . 1 . 1 10 10 ALA CB C 13 18.319 0.01 . . . . . . . 52 ALA CB . 50433 1 46 . 1 . 1 10 10 ALA N N 15 124.007 0.01 . . . . . . . 52 ALA N . 50433 1 47 . 1 . 1 11 11 HIS H H 1 8.275 0.00 . . . . . . . 53 HIS H . 50433 1 48 . 1 . 1 11 11 HIS C C 13 175.544 0.00 . . . . . . . 53 HIS CO . 50433 1 49 . 1 . 1 11 11 HIS CA C 13 57.636 0.04 . . . . . . . 53 HIS CA . 50433 1 50 . 1 . 1 11 11 HIS CB C 13 28.884 0.00 . . . . . . . 53 HIS CB . 50433 1 51 . 1 . 1 11 11 HIS N N 15 112.685 0.02 . . . . . . . 53 HIS N . 50433 1 52 . 1 . 1 12 12 LEU H H 1 7.015 0.00 . . . . . . . 54 LEU H . 50433 1 53 . 1 . 1 12 12 LEU C C 13 175.851 0.00 . . . . . . . 54 LEU CO . 50433 1 54 . 1 . 1 12 12 LEU CA C 13 53.990 0.01 . . . . . . . 54 LEU CA . 50433 1 55 . 1 . 1 12 12 LEU CB C 13 42.577 0.03 . . . . . . . 54 LEU CB . 50433 1 56 . 1 . 1 12 12 LEU N N 15 119.730 0.01 . . . . . . . 54 LEU N . 50433 1 57 . 1 . 1 13 13 ARG H H 1 7.359 0.00 . . . . . . . 55 ARG H . 50433 1 58 . 1 . 1 13 13 ARG C C 13 176.357 0.00 . . . . . . . 55 ARG CO . 50433 1 59 . 1 . 1 13 13 ARG CA C 13 56.861 0.04 . . . . . . . 55 ARG CA . 50433 1 60 . 1 . 1 13 13 ARG CB C 13 31.273 0.02 . . . . . . . 55 ARG CB . 50433 1 61 . 1 . 1 13 13 ARG N N 15 116.814 0.05 . . . . . . . 55 ARG N . 50433 1 62 . 1 . 1 14 14 LEU H H 1 8.008 0.00 . . . . . . . 56 LEU H . 50433 1 63 . 1 . 1 14 14 LEU C C 13 177.419 0.00 . . . . . . . 56 LEU CO . 50433 1 64 . 1 . 1 14 14 LEU CA C 13 54.480 0.00 . . . . . . . 56 LEU CA . 50433 1 65 . 1 . 1 14 14 LEU CB C 13 43.856 0.00 . . . . . . . 56 LEU CB . 50433 1 66 . 1 . 1 14 14 LEU N N 15 120.473 0.01 . . . . . . . 56 LEU N . 50433 1 67 . 1 . 1 15 15 GLN H H 1 8.818 0.00 . . . . . . . 57 GLN HN . 50433 1 68 . 1 . 1 15 15 GLN N N 15 122.712 0.00 . . . . . . . 57 GLN N . 50433 1 69 . 1 . 1 16 16 PRO C C 13 176.382 0.00 . . . . . . . 58 PRO CO . 50433 1 70 . 1 . 1 16 16 PRO CA C 13 63.190 0.00 . . . . . . . 58 PRO CA . 50433 1 71 . 1 . 1 16 16 PRO CB C 13 29.993 0.00 . . . . . . . 58 PRO CB . 50433 1 72 . 1 . 1 17 17 ILE H H 1 7.171 0.00 . . . . . . . 59 ILE H . 50433 1 73 . 1 . 1 17 17 ILE C C 13 176.494 0.00 . . . . . . . 59 ILE CO . 50433 1 74 . 1 . 1 17 17 ILE CA C 13 63.286 0.04 . . . . . . . 59 ILE CA . 50433 1 75 . 1 . 1 17 17 ILE CB C 13 37.383 0.07 . . . . . . . 59 ILE CB . 50433 1 76 . 1 . 1 17 17 ILE N N 15 113.651 0.00 . . . . . . . 59 ILE N . 50433 1 77 . 1 . 1 18 18 TYR H H 1 7.838 0.00 . . . . . . . 60 TYR H . 50433 1 78 . 1 . 1 18 18 TYR C C 13 176.654 0.00 . . . . . . . 60 TYR CO . 50433 1 79 . 1 . 1 18 18 TYR CA C 13 57.357 0.03 . . . . . . . 60 TYR CA . 50433 1 80 . 1 . 1 18 18 TYR CB C 13 38.691 0.27 . . . . . . . 60 TYR CB . 50433 1 81 . 1 . 1 18 18 TYR N N 15 119.811 0.01 . . . . . . . 60 TYR N . 50433 1 82 . 1 . 1 19 19 TRP H H 1 8.034 0.01 . . . . . . . 61 TRP H . 50433 1 83 . 1 . 1 19 19 TRP C C 13 178.433 0.00 . . . . . . . 61 TRP CO . 50433 1 84 . 1 . 1 19 19 TRP CA C 13 55.607 0.04 . . . . . . . 61 TRP CA . 50433 1 85 . 1 . 1 19 19 TRP CB C 13 30.062 0.01 . . . . . . . 61 TRP CB . 50433 1 86 . 1 . 1 19 19 TRP N N 15 121.559 0.13 . . . . . . . 61 TRP N . 50433 1 87 . 1 . 1 20 20 SER H H 1 10.629 0.00 . . . . . . . 62 SER H . 50433 1 88 . 1 . 1 20 20 SER C C 13 175.158 0.00 . . . . . . . 62 SER CO . 50433 1 89 . 1 . 1 20 20 SER CA C 13 57.208 0.04 . . . . . . . 62 SER CA . 50433 1 90 . 1 . 1 20 20 SER CB C 13 66.111 0.02 . . . . . . . 62 SER CB . 50433 1 91 . 1 . 1 20 20 SER N N 15 125.415 0.01 . . . . . . . 62 SER N . 50433 1 92 . 1 . 1 21 21 ARG H H 1 9.164 0.00 . . . . . . . 63 ARG H . 50433 1 93 . 1 . 1 21 21 ARG C C 13 179.467 0.00 . . . . . . . 63 ARG CO . 50433 1 94 . 1 . 1 21 21 ARG CA C 13 59.629 0.00 . . . . . . . 63 ARG CA . 50433 1 95 . 1 . 1 21 21 ARG CB C 13 29.786 0.00 . . . . . . . 63 ARG CB . 50433 1 96 . 1 . 1 21 21 ARG N N 15 120.259 0.01 . . . . . . . 63 ARG N . 50433 1 97 . 1 . 1 22 22 ASP C C 13 178.200 0.00 . . . . . . . 64 ASP CO . 50433 1 98 . 1 . 1 22 22 ASP CA C 13 57.327 0.00 . . . . . . . 64 ASP CA . 50433 1 99 . 1 . 1 22 22 ASP CB C 13 40.813 0.00 . . . . . . . 64 ASP CB . 50433 1 100 . 1 . 1 23 23 ASP H H 1 7.817 0.00 . . . . . . . 65 ASP H . 50433 1 101 . 1 . 1 23 23 ASP C C 13 177.967 0.00 . . . . . . . 65 ASP CO . 50433 1 102 . 1 . 1 23 23 ASP CA C 13 57.761 0.01 . . . . . . . 65 ASP CA . 50433 1 103 . 1 . 1 23 23 ASP CB C 13 39.437 0.03 . . . . . . . 65 ASP CB . 50433 1 104 . 1 . 1 23 23 ASP N N 15 121.980 0.00 . . . . . . . 65 ASP N . 50433 1 105 . 1 . 1 24 24 VAL H H 1 8.185 0.00 . . . . . . . 66 VAL H . 50433 1 106 . 1 . 1 24 24 VAL C C 13 177.663 0.00 . . . . . . . 66 VAL CO . 50433 1 107 . 1 . 1 24 24 VAL CA C 13 67.633 0.07 . . . . . . . 66 VAL CA . 50433 1 108 . 1 . 1 24 24 VAL CB C 13 32.183 0.04 . . . . . . . 66 VAL CB . 50433 1 109 . 1 . 1 24 24 VAL N N 15 120.135 0.01 . . . . . . . 66 VAL N . 50433 1 110 . 1 . 1 25 25 ALA H H 1 7.821 0.00 . . . . . . . 67 ALA H . 50433 1 111 . 1 . 1 25 25 ALA C C 13 181.273 0.00 . . . . . . . 67 ALA CO . 50433 1 112 . 1 . 1 25 25 ALA CA C 13 55.824 0.02 . . . . . . . 67 ALA CA . 50433 1 113 . 1 . 1 25 25 ALA CB C 13 17.804 0.00 . . . . . . . 67 ALA CB . 50433 1 114 . 1 . 1 25 25 ALA N N 15 120.902 0.02 . . . . . . . 67 ALA N . 50433 1 115 . 1 . 1 26 26 GLN H H 1 8.262 0.00 . . . . . . . 68 GLN H . 50433 1 116 . 1 . 1 26 26 GLN C C 13 178.953 0.01 . . . . . . . 68 GLN CO . 50433 1 117 . 1 . 1 26 26 GLN CA C 13 58.814 0.04 . . . . . . . 68 GLN CA . 50433 1 118 . 1 . 1 26 26 GLN CB C 13 28.416 0.08 . . . . . . . 68 GLN CB . 50433 1 119 . 1 . 1 26 26 GLN N N 15 117.629 0.08 . . . . . . . 68 GLN N . 50433 1 120 . 1 . 1 27 27 TRP H H 1 8.814 0.00 . . . . . . . 69 TRP H . 50433 1 121 . 1 . 1 27 27 TRP C C 13 176.860 0.00 . . . . . . . 69 TRP CO . 50433 1 122 . 1 . 1 27 27 TRP CA C 13 61.612 0.00 . . . . . . . 69 TRP CA . 50433 1 123 . 1 . 1 27 27 TRP CB C 13 26.847 0.00 . . . . . . . 69 TRP CB . 50433 1 124 . 1 . 1 27 27 TRP N N 15 126.004 0.01 . . . . . . . 69 TRP N . 50433 1 125 . 1 . 1 28 28 LEU H H 1 8.387 0.00 . . . . . . . 70 LEU H . 50433 1 126 . 1 . 1 28 28 LEU C C 13 179.214 0.00 . . . . . . . 70 LEU CO . 50433 1 127 . 1 . 1 28 28 LEU CA C 13 58.076 0.04 . . . . . . . 70 LEU CA . 50433 1 128 . 1 . 1 28 28 LEU CB C 13 41.986 0.02 . . . . . . . 70 LEU CB . 50433 1 129 . 1 . 1 28 28 LEU N N 15 118.570 0.01 . . . . . . . 70 LEU N . 50433 1 130 . 1 . 1 29 29 LYS H H 1 7.477 0.00 . . . . . . . 71 LYS H . 50433 1 131 . 1 . 1 29 29 LYS C C 13 178.934 0.00 . . . . . . . 71 LYS CO . 50433 1 132 . 1 . 1 29 29 LYS CA C 13 58.147 0.06 . . . . . . . 71 LYS CA . 50433 1 133 . 1 . 1 29 29 LYS CB C 13 31.867 0.01 . . . . . . . 71 LYS CB . 50433 1 134 . 1 . 1 29 29 LYS N N 15 117.450 0.01 . . . . . . . 71 LYS N . 50433 1 135 . 1 . 1 30 30 TRP H H 1 8.351 0.00 . . . . . . . 72 TRP H . 50433 1 136 . 1 . 1 30 30 TRP C C 13 177.588 0.00 . . . . . . . 72 TRP CO . 50433 1 137 . 1 . 1 30 30 TRP CA C 13 61.529 0.04 . . . . . . . 72 TRP CA . 50433 1 138 . 1 . 1 30 30 TRP CB C 13 27.721 0.00 . . . . . . . 72 TRP CB . 50433 1 139 . 1 . 1 30 30 TRP N N 15 122.230 0.01 . . . . . . . 72 TRP N . 50433 1 140 . 1 . 1 31 31 ALA H H 1 8.808 0.00 . . . . . . . 73 ALA H . 50433 1 141 . 1 . 1 31 31 ALA C C 13 179.074 0.00 . . . . . . . 73 ALA CO . 50433 1 142 . 1 . 1 31 31 ALA CA C 13 54.765 0.04 . . . . . . . 73 ALA CA . 50433 1 143 . 1 . 1 31 31 ALA CB C 13 17.478 0.01 . . . . . . . 73 ALA CB . 50433 1 144 . 1 . 1 31 31 ALA N N 15 122.476 0.00 . . . . . . . 73 ALA N . 50433 1 145 . 1 . 1 32 32 GLU H H 1 8.090 0.00 . . . . . . . 74 GLU H . 50433 1 146 . 1 . 1 32 32 GLU C C 13 178.553 0.00 . . . . . . . 74 GLU CO . 50433 1 147 . 1 . 1 32 32 GLU CA C 13 59.413 0.03 . . . . . . . 74 GLU CA . 50433 1 148 . 1 . 1 32 32 GLU CB C 13 29.899 0.01 . . . . . . . 74 GLU CB . 50433 1 149 . 1 . 1 32 32 GLU N N 15 116.625 0.00 . . . . . . . 74 GLU N . 50433 1 150 . 1 . 1 33 33 ASN H H 1 7.313 0.00 . . . . . . . 75 ASN H . 50433 1 151 . 1 . 1 33 33 ASN HD21 H 1 6.904 0.00 . . . . . . . 75 ASN HD21 . 50433 1 152 . 1 . 1 33 33 ASN HD22 H 1 7.694 0.00 . . . . . . . 75 ASN HD22 . 50433 1 153 . 1 . 1 33 33 ASN C C 13 177.373 0.00 . . . . . . . 75 ASN CO . 50433 1 154 . 1 . 1 33 33 ASN CA C 13 55.928 0.02 . . . . . . . 75 ASN CA . 50433 1 155 . 1 . 1 33 33 ASN CB C 13 39.514 0.02 . . . . . . . 75 ASN CB . 50433 1 156 . 1 . 1 33 33 ASN CG C 13 176.184 0.01 . . . . . . . 75 ASN CG . 50433 1 157 . 1 . 1 33 33 ASN N N 15 114.577 0.01 . . . . . . . 75 ASN N . 50433 1 158 . 1 . 1 33 33 ASN ND2 N 15 113.690 0.28 . . . . . . . 75 ASN ND . 50433 1 159 . 1 . 1 34 34 GLU H H 1 8.563 0.00 . . . . . . . 76 GLU H . 50433 1 160 . 1 . 1 34 34 GLU C C 13 177.818 0.00 . . . . . . . 76 GLU CO . 50433 1 161 . 1 . 1 34 34 GLU CA C 13 58.221 0.04 . . . . . . . 76 GLU CA . 50433 1 162 . 1 . 1 34 34 GLU CB C 13 28.691 0.01 . . . . . . . 76 GLU CB . 50433 1 163 . 1 . 1 34 34 GLU N N 15 121.053 0.01 . . . . . . . 76 GLU N . 50433 1 164 . 1 . 1 35 35 PHE H H 1 7.655 0.00 . . . . . . . 77 PHE H . 50433 1 165 . 1 . 1 35 35 PHE C C 13 173.963 0.00 . . . . . . . 77 PHE CO . 50433 1 166 . 1 . 1 35 35 PHE CA C 13 57.050 0.05 . . . . . . . 77 PHE CA . 50433 1 167 . 1 . 1 35 35 PHE CB C 13 37.726 0.02 . . . . . . . 77 PHE CB . 50433 1 168 . 1 . 1 35 35 PHE N N 15 112.340 0.01 . . . . . . . 77 PHE N . 50433 1 169 . 1 . 1 36 36 SER H H 1 7.224 0.00 . . . . . . . 78 SER H . 50433 1 170 . 1 . 1 36 36 SER C C 13 174.529 0.00 . . . . . . . 78 SER CO . 50433 1 171 . 1 . 1 36 36 SER CA C 13 58.360 0.04 . . . . . . . 78 SER CA . 50433 1 172 . 1 . 1 36 36 SER CB C 13 61.014 0.02 . . . . . . . 78 SER CB . 50433 1 173 . 1 . 1 36 36 SER N N 15 113.959 0.01 . . . . . . . 78 SER N . 50433 1 174 . 1 . 1 37 37 LEU H H 1 8.028 0.00 . . . . . . . 79 LEU H . 50433 1 175 . 1 . 1 37 37 LEU C C 13 177.266 0.00 . . . . . . . 79 LEU CO . 50433 1 176 . 1 . 1 37 37 LEU CA C 13 53.038 0.04 . . . . . . . 79 LEU CA . 50433 1 177 . 1 . 1 37 37 LEU CB C 13 42.306 0.02 . . . . . . . 79 LEU CB . 50433 1 178 . 1 . 1 37 37 LEU N N 15 117.963 0.01 . . . . . . . 79 LEU N . 50433 1 179 . 1 . 1 38 38 ARG H H 1 8.220 0.00 . . . . . . . 80 ARG H . 50433 1 180 . 1 . 1 38 38 ARG C C 13 174.002 0.00 . . . . . . . 80 ARG CO . 50433 1 181 . 1 . 1 38 38 ARG CA C 13 54.677 0.00 . . . . . . . 80 ARG CA . 50433 1 182 . 1 . 1 38 38 ARG CB C 13 28.703 0.00 . . . . . . . 80 ARG CB . 50433 1 183 . 1 . 1 38 38 ARG N N 15 121.670 0.02 . . . . . . . 80 ARG N . 50433 1 184 . 1 . 1 39 39 PRO C C 13 177.147 0.00 . . . . . . . 81 PRO CO . 50433 1 185 . 1 . 1 39 39 PRO CA C 13 63.675 0.06 . . . . . . . 81 PRO CA . 50433 1 186 . 1 . 1 39 39 PRO CB C 13 32.072 0.00 . . . . . . . 81 PRO CB . 50433 1 187 . 1 . 1 40 40 ILE H H 1 8.473 0.00 . . . . . . . 82 ILE H . 50433 1 188 . 1 . 1 40 40 ILE C C 13 176.144 0.00 . . . . . . . 82 ILE CO . 50433 1 189 . 1 . 1 40 40 ILE CA C 13 60.355 0.06 . . . . . . . 82 ILE CA . 50433 1 190 . 1 . 1 40 40 ILE CB C 13 39.988 0.07 . . . . . . . 82 ILE CB . 50433 1 191 . 1 . 1 40 40 ILE N N 15 124.408 0.00 . . . . . . . 82 ILE N . 50433 1 192 . 1 . 1 41 41 ASP H H 1 8.611 0.00 . . . . . . . 83 ASP H . 50433 1 193 . 1 . 1 41 41 ASP C C 13 177.714 0.00 . . . . . . . 83 ASP CO . 50433 1 194 . 1 . 1 41 41 ASP CA C 13 54.187 0.00 . . . . . . . 83 ASP CA . 50433 1 195 . 1 . 1 41 41 ASP CB C 13 40.972 0.00 . . . . . . . 83 ASP CB . 50433 1 196 . 1 . 1 41 41 ASP N N 15 126.355 0.01 . . . . . . . 83 ASP N . 50433 1 197 . 1 . 1 42 42 SER C C 13 175.816 0.00 . . . . . . . 84 SER CO . 50433 1 198 . 1 . 1 42 42 SER CA C 13 61.057 0.00 . . . . . . . 84 SER CA . 50433 1 199 . 1 . 1 42 42 SER CB C 13 63.011 0.03 . . . . . . . 84 SER CB . 50433 1 200 . 1 . 1 43 43 ASN H H 1 8.758 0.00 . . . . . . . 85 ASN H . 50433 1 201 . 1 . 1 43 43 ASN HD21 H 1 6.865 0.00 . . . . . . . 85 ASN HD21 . 50433 1 202 . 1 . 1 43 43 ASN HD22 H 1 7.809 0.00 . . . . . . . 85 ASN HD22 . 50433 1 203 . 1 . 1 43 43 ASN C C 13 176.295 0.00 . . . . . . . 85 ASN CO . 50433 1 204 . 1 . 1 43 43 ASN CA C 13 54.861 0.06 . . . . . . . 85 ASN CA . 50433 1 205 . 1 . 1 43 43 ASN CB C 13 37.758 0.02 . . . . . . . 85 ASN CB . 50433 1 206 . 1 . 1 43 43 ASN CG C 13 177.077 0.02 . . . . . . . 85 ASN CG . 50433 1 207 . 1 . 1 43 43 ASN N N 15 119.207 0.01 . . . . . . . 85 ASN N . 50433 1 208 . 1 . 1 43 43 ASN ND2 N 15 112.470 0.28 . . . . . . . 85 ASN ND . 50433 1 209 . 1 . 1 44 44 THR H H 1 7.751 0.00 . . . . . . . 86 THR H . 50433 1 210 . 1 . 1 44 44 THR C C 13 173.918 0.00 . . . . . . . 86 THR CO . 50433 1 211 . 1 . 1 44 44 THR CA C 13 63.754 0.07 . . . . . . . 86 THR CA . 50433 1 212 . 1 . 1 44 44 THR CB C 13 69.271 0.03 . . . . . . . 86 THR CB . 50433 1 213 . 1 . 1 44 44 THR N N 15 111.332 0.01 . . . . . . . 86 THR N . 50433 1 214 . 1 . 1 45 45 PHE H H 1 7.936 0.00 . . . . . . . 87 PHE H . 50433 1 215 . 1 . 1 45 45 PHE C C 13 174.461 0.00 . . . . . . . 87 PHE CO . 50433 1 216 . 1 . 1 45 45 PHE CA C 13 57.291 0.03 . . . . . . . 87 PHE CA . 50433 1 217 . 1 . 1 45 45 PHE CB C 13 40.062 0.03 . . . . . . . 87 PHE CB . 50433 1 218 . 1 . 1 45 45 PHE N N 15 121.020 0.00 . . . . . . . 87 PHE N . 50433 1 219 . 1 . 1 46 46 GLU H H 1 8.051 0.00 . . . . . . . 88 GLU H . 50433 1 220 . 1 . 1 46 46 GLU C C 13 174.102 0.02 . . . . . . . 88 GLU CO . 50433 1 221 . 1 . 1 46 46 GLU CA C 13 55.868 0.04 . . . . . . . 88 GLU CA . 50433 1 222 . 1 . 1 46 46 GLU CB C 13 27.828 0.02 . . . . . . . 88 GLU CB . 50433 1 223 . 1 . 1 46 46 GLU N N 15 123.154 0.01 . . . . . . . 88 GLU N . 50433 1 224 . 1 . 1 47 47 MET H H 1 8.197 0.00 . . . . . . . 89 MET H . 50433 1 225 . 1 . 1 47 47 MET C C 13 172.320 0.00 . . . . . . . 89 MET CO . 50433 1 226 . 1 . 1 47 47 MET CA C 13 54.493 0.05 . . . . . . . 89 MET CA . 50433 1 227 . 1 . 1 47 47 MET CB C 13 34.453 0.03 . . . . . . . 89 MET CB . 50433 1 228 . 1 . 1 47 47 MET N N 15 121.867 0.01 . . . . . . . 89 MET N . 50433 1 229 . 1 . 1 48 48 ASN H H 1 8.523 0.00 . . . . . . . 90 ASN H . 50433 1 230 . 1 . 1 48 48 ASN HD21 H 1 6.772 0.00 . . . . . . . 90 ASN HD21 . 50433 1 231 . 1 . 1 48 48 ASN HD22 H 1 7.383 0.00 . . . . . . . 90 ASN HD22 . 50433 1 232 . 1 . 1 48 48 ASN C C 13 175.759 0.00 . . . . . . . 90 ASN CO . 50433 1 233 . 1 . 1 48 48 ASN CA C 13 50.998 0.05 . . . . . . . 90 ASN CA . 50433 1 234 . 1 . 1 48 48 ASN CB C 13 38.769 0.02 . . . . . . . 90 ASN CB . 50433 1 235 . 1 . 1 48 48 ASN CG C 13 174.802 0.01 . . . . . . . 90 ASN CG . 50433 1 236 . 1 . 1 48 48 ASN N N 15 114.934 0.01 . . . . . . . 90 ASN N . 50433 1 237 . 1 . 1 48 48 ASN ND2 N 15 109.441 0.27 . . . . . . . 90 ASN ND . 50433 1 238 . 1 . 1 49 49 GLY H H 1 8.427 0.00 . . . . . . . 91 GLY H . 50433 1 239 . 1 . 1 49 49 GLY C C 13 174.383 0.00 . . . . . . . 91 GLY CO . 50433 1 240 . 1 . 1 49 49 GLY CA C 13 47.397 0.02 . . . . . . . 91 GLY CA . 50433 1 241 . 1 . 1 49 49 GLY N N 15 105.072 0.00 . . . . . . . 91 GLY N . 50433 1 242 . 1 . 1 50 50 LYS H H 1 7.765 0.00 . . . . . . . 92 LYS H . 50433 1 243 . 1 . 1 50 50 LYS C C 13 178.651 0.00 . . . . . . . 92 LYS CO . 50433 1 244 . 1 . 1 50 50 LYS CA C 13 59.957 0.05 . . . . . . . 92 LYS CA . 50433 1 245 . 1 . 1 50 50 LYS CB C 13 31.549 0.01 . . . . . . . 92 LYS CB . 50433 1 246 . 1 . 1 50 50 LYS N N 15 120.052 0.01 . . . . . . . 92 LYS N . 50433 1 247 . 1 . 1 51 51 ASP H H 1 7.834 0.00 . . . . . . . 93 ASP H . 50433 1 248 . 1 . 1 51 51 ASP C C 13 179.676 0.00 . . . . . . . 93 ASP CO . 50433 1 249 . 1 . 1 51 51 ASP CA C 13 56.871 0.03 . . . . . . . 93 ASP CA . 50433 1 250 . 1 . 1 51 51 ASP CB C 13 40.972 0.02 . . . . . . . 93 ASP CB . 50433 1 251 . 1 . 1 51 51 ASP N N 15 117.828 0.01 . . . . . . . 93 ASP N . 50433 1 252 . 1 . 1 52 52 LEU H H 1 8.338 0.00 . . . . . . . 94 LEU H . 50433 1 253 . 1 . 1 52 52 LEU C C 13 179.504 0.00 . . . . . . . 94 LEU CO . 50433 1 254 . 1 . 1 52 52 LEU CA C 13 58.009 0.03 . . . . . . . 94 LEU CA . 50433 1 255 . 1 . 1 52 52 LEU CB C 13 43.592 0.02 . . . . . . . 94 LEU CB . 50433 1 256 . 1 . 1 52 52 LEU N N 15 125.092 0.01 . . . . . . . 94 LEU N . 50433 1 257 . 1 . 1 53 53 LEU H H 1 7.725 0.00 . . . . . . . 95 LEU H . 50433 1 258 . 1 . 1 53 53 LEU C C 13 177.378 0.00 . . . . . . . 95 LEU CO . 50433 1 259 . 1 . 1 53 53 LEU CA C 13 56.550 0.05 . . . . . . . 95 LEU CA . 50433 1 260 . 1 . 1 53 53 LEU CB C 13 41.739 0.02 . . . . . . . 95 LEU CB . 50433 1 261 . 1 . 1 53 53 LEU N N 15 115.933 0.01 . . . . . . . 95 LEU N . 50433 1 262 . 1 . 1 54 54 LEU H H 1 7.348 0.00 . . . . . . . 96 LEU H . 50433 1 263 . 1 . 1 54 54 LEU C C 13 178.483 0.00 . . . . . . . 96 LEU CO . 50433 1 264 . 1 . 1 54 54 LEU CA C 13 54.803 0.05 . . . . . . . 96 LEU CA . 50433 1 265 . 1 . 1 54 54 LEU CB C 13 42.282 0.01 . . . . . . . 96 LEU CB . 50433 1 266 . 1 . 1 54 54 LEU N N 15 117.390 0.02 . . . . . . . 96 LEU N . 50433 1 267 . 1 . 1 55 55 LEU H H 1 119.596 0.00 . . . . . . . 97 LEU H . 50433 1 268 . 1 . 1 55 55 LEU C C 13 178.558 0.00 . . . . . . . 97 LEU CO . 50433 1 269 . 1 . 1 55 55 LEU CA C 13 55.469 0.03 . . . . . . . 97 LEU CA . 50433 1 270 . 1 . 1 55 55 LEU CB C 13 42.053 0.03 . . . . . . . 97 LEU CB . 50433 1 271 . 1 . 1 55 55 LEU N N 15 7.375 0.00 . . . . . . . 97 LEU N . 50433 1 272 . 1 . 1 56 56 THR H H 1 9.539 0.00 . . . . . . . 98 THR H . 50433 1 273 . 1 . 1 56 56 THR C C 13 175.629 0.00 . . . . . . . 98 THR CO . 50433 1 274 . 1 . 1 56 56 THR CA C 13 60.366 0.07 . . . . . . . 98 THR CA . 50433 1 275 . 1 . 1 56 56 THR CB C 13 72.002 0.03 . . . . . . . 98 THR CB . 50433 1 276 . 1 . 1 56 56 THR N N 15 114.492 0.01 . . . . . . . 98 THR N . 50433 1 277 . 1 . 1 57 57 LYS H H 1 8.643 0.00 . . . . . . . 99 LYS H . 50433 1 278 . 1 . 1 57 57 LYS C C 13 178.409 0.00 . . . . . . . 99 LYS CO . 50433 1 279 . 1 . 1 57 57 LYS CA C 13 61.208 0.02 . . . . . . . 99 LYS CA . 50433 1 280 . 1 . 1 57 57 LYS CB C 13 31.737 0.01 . . . . . . . 99 LYS CB . 50433 1 281 . 1 . 1 57 57 LYS N N 15 122.721 0.00 . . . . . . . 99 LYS N . 50433 1 282 . 1 . 1 58 58 GLU H H 1 8.253 0.00 . . . . . . . 100 GLU H . 50433 1 283 . 1 . 1 58 58 GLU C C 13 178.921 0.00 . . . . . . . 100 GLU CO . 50433 1 284 . 1 . 1 58 58 GLU CA C 13 60.199 0.05 . . . . . . . 100 GLU CA . 50433 1 285 . 1 . 1 58 58 GLU CB C 13 28.649 0.01 . . . . . . . 100 GLU CB . 50433 1 286 . 1 . 1 58 58 GLU N N 15 117.292 0.00 . . . . . . . 100 GLU N . 50433 1 287 . 1 . 1 59 59 ASP H H 1 7.854 0.00 . . . . . . . 101 ASP H . 50433 1 288 . 1 . 1 59 59 ASP C C 13 179.882 0.00 . . . . . . . 101 ASP CO . 50433 1 289 . 1 . 1 59 59 ASP CA C 13 57.707 0.04 . . . . . . . 101 ASP CA . 50433 1 290 . 1 . 1 59 59 ASP CB C 13 42.133 0.02 . . . . . . . 101 ASP CB . 50433 1 291 . 1 . 1 59 59 ASP N N 15 121.111 0.01 . . . . . . . 101 ASP N . 50433 1 292 . 1 . 1 60 60 PHE H H 1 8.323 0.00 . . . . . . . 102 PHE H . 50433 1 293 . 1 . 1 60 60 PHE C C 13 178.411 0.00 . . . . . . . 102 PHE CO . 50433 1 294 . 1 . 1 60 60 PHE CA C 13 63.635 0.07 . . . . . . . 102 PHE CA . 50433 1 295 . 1 . 1 60 60 PHE CB C 13 39.754 0.02 . . . . . . . 102 PHE CB . 50433 1 296 . 1 . 1 60 60 PHE N N 15 120.486 0.02 . . . . . . . 102 PHE N . 50433 1 297 . 1 . 1 61 61 ARG H H 1 8.148 0.00 . . . . . . . 103 ARG H . 50433 1 298 . 1 . 1 61 61 ARG C C 13 177.867 0.00 . . . . . . . 103 ARG CO . 50433 1 299 . 1 . 1 61 61 ARG CA C 13 59.042 0.04 . . . . . . . 103 ARG CA . 50433 1 300 . 1 . 1 61 61 ARG CB C 13 30.556 0.02 . . . . . . . 103 ARG CB . 50433 1 301 . 1 . 1 61 61 ARG N N 15 118.734 0.02 . . . . . . . 103 ARG N . 50433 1 302 . 1 . 1 62 62 TYR H H 1 8.107 0.00 . . . . . . . 104 TYR H . 50433 1 303 . 1 . 1 62 62 TYR C C 13 177.757 0.01 . . . . . . . 104 TYR CO . 50433 1 304 . 1 . 1 62 62 TYR CA C 13 60.455 0.05 . . . . . . . 104 TYR CA . 50433 1 305 . 1 . 1 62 62 TYR CB C 13 38.352 0.03 . . . . . . . 104 TYR CB . 50433 1 306 . 1 . 1 62 62 TYR N N 15 118.509 0.01 . . . . . . . 104 TYR N . 50433 1 307 . 1 . 1 63 63 ARG H H 1 7.391 0.00 . . . . . . . 105 ARG H . 50433 1 308 . 1 . 1 63 63 ARG C C 13 176.983 0.00 . . . . . . . 105 ARG CO . 50433 1 309 . 1 . 1 63 63 ARG CA C 13 58.224 0.06 . . . . . . . 105 ARG CA . 50433 1 310 . 1 . 1 63 63 ARG CB C 13 30.999 0.03 . . . . . . . 105 ARG CB . 50433 1 311 . 1 . 1 63 63 ARG N N 15 116.597 0.01 . . . . . . . 105 ARG N . 50433 1 312 . 1 . 1 64 64 SER H H 1 8.209 0.00 . . . . . . . 106 SER H . 50433 1 313 . 1 . 1 64 64 SER C C 13 171.530 0.00 . . . . . . . 106 SER CO . 50433 1 314 . 1 . 1 64 64 SER CA C 13 54.061 0.00 . . . . . . . 106 SER CA . 50433 1 315 . 1 . 1 64 64 SER CB C 13 62.270 0.00 . . . . . . . 106 SER CB . 50433 1 316 . 1 . 1 64 64 SER N N 15 110.515 0.01 . . . . . . . 106 SER N . 50433 1 317 . 1 . 1 65 65 PRO C C 13 179.298 0.00 . . . . . . . 107 PRO CO . 50433 1 318 . 1 . 1 65 65 PRO CA C 13 65.225 0.00 . . . . . . . 107 PRO CA . 50433 1 319 . 1 . 1 65 65 PRO CB C 13 31.719 0.00 . . . . . . . 107 PRO CB . 50433 1 320 . 1 . 1 66 66 HIS H H 1 8.051 0.00 . . . . . . . 108 HIS H . 50433 1 321 . 1 . 1 66 66 HIS C C 13 177.327 0.00 . . . . . . . 108 HIS CO . 50433 1 322 . 1 . 1 66 66 HIS CA C 13 57.493 0.04 . . . . . . . 108 HIS CA . 50433 1 323 . 1 . 1 66 66 HIS CB C 13 31.372 0.04 . . . . . . . 108 HIS CB . 50433 1 324 . 1 . 1 66 66 HIS N N 15 111.650 0.00 . . . . . . . 108 HIS N . 50433 1 325 . 1 . 1 67 67 SER H H 1 7.363 0.00 . . . . . . . 109 SER H . 50433 1 326 . 1 . 1 67 67 SER C C 13 174.452 0.00 . . . . . . . 109 SER CO . 50433 1 327 . 1 . 1 67 67 SER CA C 13 58.215 0.05 . . . . . . . 109 SER CA . 50433 1 328 . 1 . 1 67 67 SER CB C 13 65.277 0.03 . . . . . . . 109 SER CB . 50433 1 329 . 1 . 1 67 67 SER N N 15 111.898 0.02 . . . . . . . 109 SER N . 50433 1 330 . 1 . 1 68 68 GLY H H 1 9.320 0.00 . . . . . . . 110 GLY H . 50433 1 331 . 1 . 1 68 68 GLY C C 13 174.092 0.00 . . . . . . . 110 GLY CO . 50433 1 332 . 1 . 1 68 68 GLY CA C 13 48.870 0.03 . . . . . . . 110 GLY CA . 50433 1 333 . 1 . 1 68 68 GLY N N 15 111.872 0.01 . . . . . . . 110 GLY N . 50433 1 334 . 1 . 1 69 69 ASP H H 1 8.622 0.03 . . . . . . . 111 ASP H . 50433 1 335 . 1 . 1 69 69 ASP C C 13 178.104 0.00 . . . . . . . 111 ASP CO . 50433 1 336 . 1 . 1 69 69 ASP CA C 13 58.376 0.06 . . . . . . . 111 ASP CA . 50433 1 337 . 1 . 1 69 69 ASP CB C 13 40.147 0.03 . . . . . . . 111 ASP CB . 50433 1 338 . 1 . 1 69 69 ASP N N 15 119.458 0.00 . . . . . . . 111 ASP N . 50433 1 339 . 1 . 1 70 70 VAL H H 1 7.467 0.00 . . . . . . . 112 VAL H . 50433 1 340 . 1 . 1 70 70 VAL C C 13 178.188 0.01 . . . . . . . 112 VAL CO . 50433 1 341 . 1 . 1 70 70 VAL CA C 13 65.818 0.05 . . . . . . . 112 VAL CA . 50433 1 342 . 1 . 1 70 70 VAL CB C 13 31.611 0.04 . . . . . . . 112 VAL CB . 50433 1 343 . 1 . 1 70 70 VAL N N 15 119.244 0.01 . . . . . . . 112 VAL N . 50433 1 344 . 1 . 1 71 71 LEU H H 1 8.135 0.00 . . . . . . . 113 LEU H . 50433 1 345 . 1 . 1 71 71 LEU C C 13 177.786 0.02 . . . . . . . 113 LEU CO . 50433 1 346 . 1 . 1 71 71 LEU CA C 13 57.990 0.04 . . . . . . . 113 LEU CA . 50433 1 347 . 1 . 1 71 71 LEU CB C 13 42.542 0.02 . . . . . . . 113 LEU CB . 50433 1 348 . 1 . 1 71 71 LEU N N 15 119.168 0.01 . . . . . . . 113 LEU N . 50433 1 349 . 1 . 1 72 72 TYR H H 1 8.207 0.00 . . . . . . . 114 TYR H . 50433 1 350 . 1 . 1 72 72 TYR C C 13 177.612 0.00 . . . . . . . 114 TYR CO . 50433 1 351 . 1 . 1 72 72 TYR CA C 13 62.254 0.05 . . . . . . . 114 TYR CA . 50433 1 352 . 1 . 1 72 72 TYR CB C 13 37.950 0.02 . . . . . . . 114 TYR CB . 50433 1 353 . 1 . 1 72 72 TYR N N 15 118.697 0.01 . . . . . . . 114 TYR N . 50433 1 354 . 1 . 1 73 73 GLU H H 1 7.809 0.00 . . . . . . . 115 GLU H . 50433 1 355 . 1 . 1 73 73 GLU C C 13 179.635 0.00 . . . . . . . 115 GLU CO . 50433 1 356 . 1 . 1 73 73 GLU CA C 13 58.821 0.04 . . . . . . . 115 GLU CA . 50433 1 357 . 1 . 1 73 73 GLU CB C 13 28.921 0.00 . . . . . . . 115 GLU CB . 50433 1 358 . 1 . 1 73 73 GLU N N 15 117.995 0.00 . . . . . . . 115 GLU N . 50433 1 359 . 1 . 1 74 74 LEU H H 1 8.687 0.00 . . . . . . . 116 LEU H . 50433 1 360 . 1 . 1 74 74 LEU C C 13 178.759 0.00 . . . . . . . 116 LEU CO . 50433 1 361 . 1 . 1 74 74 LEU CA C 13 57.834 0.04 . . . . . . . 116 LEU CA . 50433 1 362 . 1 . 1 74 74 LEU CB C 13 42.440 0.03 . . . . . . . 116 LEU CB . 50433 1 363 . 1 . 1 74 74 LEU N N 15 122.351 0.01 . . . . . . . 116 LEU N . 50433 1 364 . 1 . 1 75 75 LEU H H 1 8.351 0.00 . . . . . . . 117 LEU H . 50433 1 365 . 1 . 1 75 75 LEU C C 13 178.353 0.00 . . . . . . . 117 LEU CO . 50433 1 366 . 1 . 1 75 75 LEU CA C 13 57.898 0.05 . . . . . . . 117 LEU CA . 50433 1 367 . 1 . 1 75 75 LEU CB C 13 40.649 0.04 . . . . . . . 117 LEU CB . 50433 1 368 . 1 . 1 75 75 LEU N N 15 120.806 0.02 . . . . . . . 117 LEU N . 50433 1 369 . 1 . 1 76 76 GLN H H 1 7.866 0.00 . . . . . . . 118 GLN H . 50433 1 370 . 1 . 1 76 76 GLN HE21 H 1 6.389 0.00 . . . . . . . 118 GLN HE1 . 50433 1 371 . 1 . 1 76 76 GLN HE22 H 1 7.090 0.00 . . . . . . . 118 GLN HE2 . 50433 1 372 . 1 . 1 76 76 GLN C C 13 178.764 0.00 . . . . . . . 118 GLN CO . 50433 1 373 . 1 . 1 76 76 GLN CA C 13 57.940 0.04 . . . . . . . 118 GLN CA . 50433 1 374 . 1 . 1 76 76 GLN CB C 13 27.406 0.05 . . . . . . . 118 GLN CB . 50433 1 375 . 1 . 1 76 76 GLN CG C 13 33.224 0.02 . . . . . . . 118 GLN CG . 50433 1 376 . 1 . 1 76 76 GLN CD C 13 179.491 0.01 . . . . . . . 118 GLN CD . 50433 1 377 . 1 . 1 76 76 GLN N N 15 115.050 0.01 . . . . . . . 118 GLN N . 50433 1 378 . 1 . 1 76 76 GLN NE2 N 15 115.998 0.22 . . . . . . . 118 GLN NE . 50433 1 379 . 1 . 1 77 77 HIS H H 1 8.088 0.00 . . . . . . . 119 HIS H . 50433 1 380 . 1 . 1 77 77 HIS C C 13 178.337 0.00 . . . . . . . 119 HIS CO . 50433 1 381 . 1 . 1 77 77 HIS CA C 13 60.082 0.07 . . . . . . . 119 HIS CA . 50433 1 382 . 1 . 1 77 77 HIS CB C 13 30.565 0.01 . . . . . . . 119 HIS CB . 50433 1 383 . 1 . 1 77 77 HIS N N 15 119.410 0.01 . . . . . . . 119 HIS N . 50433 1 384 . 1 . 1 78 78 ILE H H 1 8.210 0.00 . . . . . . . 120 ILE H . 50433 1 385 . 1 . 1 78 78 ILE C C 13 178.465 0.00 . . . . . . . 120 ILE CO . 50433 1 386 . 1 . 1 78 78 ILE CA C 13 65.397 0.06 . . . . . . . 120 ILE CA . 50433 1 387 . 1 . 1 78 78 ILE CB C 13 38.206 0.03 . . . . . . . 120 ILE CB . 50433 1 388 . 1 . 1 78 78 ILE N N 15 120.520 0.01 . . . . . . . 120 ILE N . 50433 1 389 . 1 . 1 79 79 LEU H H 1 8.187 0.00 . . . . . . . 121 LEU H . 50433 1 390 . 1 . 1 79 79 LEU C C 13 178.798 0.00 . . . . . . . 121 LEU CO . 50433 1 391 . 1 . 1 79 79 LEU CA C 13 57.327 0.04 . . . . . . . 121 LEU CA . 50433 1 392 . 1 . 1 79 79 LEU CB C 13 42.166 0.02 . . . . . . . 121 LEU CB . 50433 1 393 . 1 . 1 79 79 LEU N N 15 119.692 0.02 . . . . . . . 121 LEU N . 50433 1 394 . 1 . 1 80 80 LYS H H 1 7.529 0.00 . . . . . . . 122 LYS H . 50433 1 395 . 1 . 1 80 80 LYS C C 13 177.323 0.00 . . . . . . . 122 LYS CO . 50433 1 396 . 1 . 1 80 80 LYS CA C 13 57.618 0.04 . . . . . . . 122 LYS CA . 50433 1 397 . 1 . 1 80 80 LYS CB C 13 32.699 0.01 . . . . . . . 122 LYS CB . 50433 1 398 . 1 . 1 80 80 LYS N N 15 116.949 0.01 . . . . . . . 122 LYS N . 50433 1 399 . 1 . 1 81 81 GLN H H 1 7.768 0.00 . . . . . . . 123 GLN H . 50433 1 400 . 1 . 1 81 81 GLN HE21 H 1 6.881 0.00 . . . . . . . 123 GLN HE1 . 50433 1 401 . 1 . 1 81 81 GLN HE22 H 1 7.362 0.00 . . . . . . . 123 GLN HE2 . 50433 1 402 . 1 . 1 81 81 GLN C C 13 176.330 0.00 . . . . . . . 123 GLN CO . 50433 1 403 . 1 . 1 81 81 GLN CA C 13 56.538 0.05 . . . . . . . 123 GLN CA . 50433 1 404 . 1 . 1 81 81 GLN CB C 13 29.052 0.01 . . . . . . . 123 GLN CB . 50433 1 405 . 1 . 1 81 81 GLN CG C 13 33.703 0.01 . . . . . . . 123 GLN CG . 50433 1 406 . 1 . 1 81 81 GLN CD C 13 180.111 0.01 . . . . . . . 123 GLN CD . 50433 1 407 . 1 . 1 81 81 GLN N N 15 117.859 0.01 . . . . . . . 123 GLN N . 50433 1 408 . 1 . 1 81 81 GLN NE2 N 15 111.794 0.17 . . . . . . . 123 GLN NE . 50433 1 409 . 1 . 1 82 82 ARG H H 1 7.954 0.00 . . . . . . . 124 ARG H . 50433 1 410 . 1 . 1 82 82 ARG C C 13 174.987 0.00 . . . . . . . 124 ARG CO . 50433 1 411 . 1 . 1 82 82 ARG CA C 13 56.011 0.06 . . . . . . . 124 ARG CA . 50433 1 412 . 1 . 1 82 82 ARG CB C 13 30.429 0.01 . . . . . . . 124 ARG CB . 50433 1 413 . 1 . 1 82 82 ARG N N 15 120.586 0.01 . . . . . . . 124 ARG N . 50433 1 414 . 1 . 1 83 83 LYS H H 1 7.856 0.00 . . . . . . . 125 LYS H . 50433 1 415 . 1 . 1 83 83 LYS C C 13 181.260 0.00 . . . . . . . 125 LYS CO . 50433 1 416 . 1 . 1 83 83 LYS CA C 13 57.777 0.00 . . . . . . . 125 LYS CA . 50433 1 417 . 1 . 1 83 83 LYS CB C 13 33.539 0.00 . . . . . . . 125 LYS CB . 50433 1 418 . 1 . 1 83 83 LYS N N 15 128.002 0.00 . . . . . . . 125 LYS N . 50433 1 stop_ save_