################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10158 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10158 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10158 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 7 7 GLY CA C 13 45.366 0.300 . 1 . . . . 7 GLY CA . 10158 1 2 . 1 1 7 7 GLY HA3 H 1 3.975 0.030 . 1 . . . . 7 GLY HA3 . 10158 1 3 . 1 1 7 7 GLY C C 13 173.840 0.300 . 1 . . . . 7 GLY C . 10158 1 4 . 1 1 7 7 GLY HA2 H 1 3.975 0.030 . 1 . . . . 7 GLY HA2 . 10158 1 5 . 1 1 8 8 ALA N N 15 123.813 0.300 . 1 . . . . 8 ALA N . 10158 1 6 . 1 1 8 8 ALA H H 1 8.108 0.030 . 1 . . . . 8 ALA H . 10158 1 7 . 1 1 8 8 ALA CA C 13 52.400 0.300 . 1 . . . . 8 ALA CA . 10158 1 8 . 1 1 8 8 ALA HA H 1 4.317 0.030 . 1 . . . . 8 ALA HA . 10158 1 9 . 1 1 8 8 ALA CB C 13 19.299 0.300 . 1 . . . . 8 ALA CB . 10158 1 10 . 1 1 8 8 ALA HB1 H 1 1.386 0.030 . 1 . . . . 8 ALA HB . 10158 1 11 . 1 1 8 8 ALA HB2 H 1 1.386 0.030 . 1 . . . . 8 ALA HB . 10158 1 12 . 1 1 8 8 ALA HB3 H 1 1.386 0.030 . 1 . . . . 8 ALA HB . 10158 1 13 . 1 1 8 8 ALA C C 13 177.523 0.300 . 1 . . . . 8 ALA C . 10158 1 14 . 1 1 9 9 ALA N N 15 123.426 0.300 . 1 . . . . 9 ALA N . 10158 1 15 . 1 1 9 9 ALA H H 1 8.272 0.030 . 1 . . . . 9 ALA H . 10158 1 16 . 1 1 9 9 ALA CA C 13 52.433 0.300 . 1 . . . . 9 ALA CA . 10158 1 17 . 1 1 9 9 ALA HA H 1 4.313 0.030 . 1 . . . . 9 ALA HA . 10158 1 18 . 1 1 9 9 ALA CB C 13 19.254 0.300 . 1 . . . . 9 ALA CB . 10158 1 19 . 1 1 9 9 ALA HB1 H 1 1.400 0.030 . 1 . . . . 9 ALA HB . 10158 1 20 . 1 1 9 9 ALA HB2 H 1 1.400 0.030 . 1 . . . . 9 ALA HB . 10158 1 21 . 1 1 9 9 ALA HB3 H 1 1.400 0.030 . 1 . . . . 9 ALA HB . 10158 1 22 . 1 1 9 9 ALA C C 13 177.795 0.300 . 1 . . . . 9 ALA C . 10158 1 23 . 1 1 10 10 LYS N N 15 120.933 0.300 . 1 . . . . 10 LYS N . 10158 1 24 . 1 1 10 10 LYS H H 1 8.368 0.030 . 1 . . . . 10 LYS H . 10158 1 25 . 1 1 10 10 LYS CA C 13 56.323 0.300 . 1 . . . . 10 LYS CA . 10158 1 26 . 1 1 10 10 LYS HA H 1 4.427 0.030 . 1 . . . . 10 LYS HA . 10158 1 27 . 1 1 10 10 LYS CB C 13 33.105 0.300 . 1 . . . . 10 LYS CB . 10158 1 28 . 1 1 10 10 LYS HB3 H 1 1.810 0.030 . 2 . . . . 10 LYS HB3 . 10158 1 29 . 1 1 10 10 LYS CG C 13 24.824 0.300 . 1 . . . . 10 LYS CG . 10158 1 30 . 1 1 10 10 LYS HG3 H 1 1.455 0.030 . 2 . . . . 10 LYS HG3 . 10158 1 31 . 1 1 10 10 LYS CD C 13 29.100 0.300 . 1 . . . . 10 LYS CD . 10158 1 32 . 1 1 10 10 LYS HD3 H 1 1.706 0.030 . 1 . . . . 10 LYS HD3 . 10158 1 33 . 1 1 10 10 LYS CE C 13 42.163 0.300 . 1 . . . . 10 LYS CE . 10158 1 34 . 1 1 10 10 LYS HE3 H 1 3.017 0.030 . 1 . . . . 10 LYS HE3 . 10158 1 35 . 1 1 10 10 LYS C C 13 176.978 0.300 . 1 . . . . 10 LYS C . 10158 1 36 . 1 1 10 10 LYS HB2 H 1 1.905 0.030 . 2 . . . . 10 LYS HB2 . 10158 1 37 . 1 1 10 10 LYS HD2 H 1 1.706 0.030 . 1 . . . . 10 LYS HD2 . 10158 1 38 . 1 1 10 10 LYS HE2 H 1 3.017 0.030 . 1 . . . . 10 LYS HE2 . 10158 1 39 . 1 1 10 10 LYS HG2 H 1 1.515 0.030 . 2 . . . . 10 LYS HG2 . 10158 1 40 . 1 1 11 11 THR N N 15 114.437 0.300 . 1 . . . . 11 THR N . 10158 1 41 . 1 1 11 11 THR H H 1 8.308 0.030 . 1 . . . . 11 THR H . 10158 1 42 . 1 1 11 11 THR CA C 13 61.617 0.300 . 1 . . . . 11 THR CA . 10158 1 43 . 1 1 11 11 THR HA H 1 4.472 0.030 . 1 . . . . 11 THR HA . 10158 1 44 . 1 1 11 11 THR CB C 13 69.821 0.300 . 1 . . . . 11 THR CB . 10158 1 45 . 1 1 11 11 THR HB H 1 4.353 0.030 . 1 . . . . 11 THR HB . 10158 1 46 . 1 1 11 11 THR CG2 C 13 21.593 0.300 . 1 . . . . 11 THR CG2 . 10158 1 47 . 1 1 11 11 THR HG21 H 1 1.224 0.030 . 1 . . . . 11 THR HG2 . 10158 1 48 . 1 1 11 11 THR HG22 H 1 1.224 0.030 . 1 . . . . 11 THR HG2 . 10158 1 49 . 1 1 11 11 THR HG23 H 1 1.224 0.030 . 1 . . . . 11 THR HG2 . 10158 1 50 . 1 1 11 11 THR C C 13 174.562 0.300 . 1 . . . . 11 THR C . 10158 1 51 . 1 1 12 12 THR N N 15 114.598 0.300 . 1 . . . . 12 THR N . 10158 1 52 . 1 1 12 12 THR H H 1 7.915 0.030 . 1 . . . . 12 THR H . 10158 1 53 . 1 1 12 12 THR CA C 13 61.451 0.300 . 1 . . . . 12 THR CA . 10158 1 54 . 1 1 12 12 THR HA H 1 4.492 0.030 . 1 . . . . 12 THR HA . 10158 1 55 . 1 1 12 12 THR CB C 13 70.427 0.300 . 1 . . . . 12 THR CB . 10158 1 56 . 1 1 12 12 THR HB H 1 4.202 0.030 . 1 . . . . 12 THR HB . 10158 1 57 . 1 1 12 12 THR CG2 C 13 22.047 0.300 . 1 . . . . 12 THR CG2 . 10158 1 58 . 1 1 12 12 THR HG21 H 1 1.165 0.030 . 1 . . . . 12 THR HG2 . 10158 1 59 . 1 1 12 12 THR HG22 H 1 1.165 0.030 . 1 . . . . 12 THR HG2 . 10158 1 60 . 1 1 12 12 THR HG23 H 1 1.165 0.030 . 1 . . . . 12 THR HG2 . 10158 1 61 . 1 1 12 12 THR C C 13 174.236 0.300 . 1 . . . . 12 THR C . 10158 1 62 . 1 1 13 13 SER N N 15 117.902 0.300 . 1 . . . . 13 SER N . 10158 1 63 . 1 1 13 13 SER H H 1 8.580 0.030 . 1 . . . . 13 SER H . 10158 1 64 . 1 1 13 13 SER CA C 13 58.138 0.300 . 1 . . . . 13 SER CA . 10158 1 65 . 1 1 13 13 SER HA H 1 4.684 0.030 . 1 . . . . 13 SER HA . 10158 1 66 . 1 1 13 13 SER CB C 13 65.065 0.300 . 1 . . . . 13 SER CB . 10158 1 67 . 1 1 13 13 SER HB3 H 1 3.671 0.030 . 2 . . . . 13 SER HB3 . 10158 1 68 . 1 1 13 13 SER C C 13 172.108 0.300 . 1 . . . . 13 SER C . 10158 1 69 . 1 1 13 13 SER HB2 H 1 3.815 0.030 . 2 . . . . 13 SER HB2 . 10158 1 70 . 1 1 14 14 GLU N N 15 124.193 0.300 . 1 . . . . 14 GLU N . 10158 1 71 . 1 1 14 14 GLU H H 1 8.386 0.030 . 1 . . . . 14 GLU H . 10158 1 72 . 1 1 14 14 GLU CA C 13 54.181 0.300 . 1 . . . . 14 GLU CA . 10158 1 73 . 1 1 14 14 GLU HA H 1 5.048 0.030 . 1 . . . . 14 GLU HA . 10158 1 74 . 1 1 14 14 GLU CB C 13 33.085 0.300 . 1 . . . . 14 GLU CB . 10158 1 75 . 1 1 14 14 GLU HB3 H 1 1.770 0.030 . 2 . . . . 14 GLU HB3 . 10158 1 76 . 1 1 14 14 GLU CG C 13 35.695 0.300 . 1 . . . . 14 GLU CG . 10158 1 77 . 1 1 14 14 GLU HG3 H 1 1.875 0.030 . 2 . . . . 14 GLU HG3 . 10158 1 78 . 1 1 14 14 GLU C C 13 175.059 0.300 . 1 . . . . 14 GLU C . 10158 1 79 . 1 1 14 14 GLU HB2 H 1 1.824 0.030 . 2 . . . . 14 GLU HB2 . 10158 1 80 . 1 1 14 14 GLU HG2 H 1 1.950 0.030 . 2 . . . . 14 GLU HG2 . 10158 1 81 . 1 1 15 15 CYS N N 15 126.927 0.300 . 1 . . . . 15 CYS N . 10158 1 82 . 1 1 15 15 CYS H H 1 9.263 0.030 . 1 . . . . 15 CYS H . 10158 1 83 . 1 1 15 15 CYS CA C 13 59.573 0.300 . 1 . . . . 15 CYS CA . 10158 1 84 . 1 1 15 15 CYS HA H 1 4.562 0.030 . 1 . . . . 15 CYS HA . 10158 1 85 . 1 1 15 15 CYS CB C 13 29.667 0.300 . 1 . . . . 15 CYS CB . 10158 1 86 . 1 1 15 15 CYS HB3 H 1 3.358 0.030 . 2 . . . . 15 CYS HB3 . 10158 1 87 . 1 1 15 15 CYS C C 13 177.427 0.300 . 1 . . . . 15 CYS C . 10158 1 88 . 1 1 15 15 CYS HB2 H 1 2.853 0.030 . 2 . . . . 15 CYS HB2 . 10158 1 89 . 1 1 16 16 GLN N N 15 131.467 0.300 . 1 . . . . 16 GLN N . 10158 1 90 . 1 1 16 16 GLN H H 1 9.521 0.030 . 1 . . . . 16 GLN H . 10158 1 91 . 1 1 16 16 GLN CA C 13 57.973 0.300 . 1 . . . . 16 GLN CA . 10158 1 92 . 1 1 16 16 GLN HA H 1 4.175 0.030 . 1 . . . . 16 GLN HA . 10158 1 93 . 1 1 16 16 GLN CB C 13 28.562 0.300 . 1 . . . . 16 GLN CB . 10158 1 94 . 1 1 16 16 GLN HB3 H 1 2.132 0.030 . 2 . . . . 16 GLN HB3 . 10158 1 95 . 1 1 16 16 GLN CG C 13 34.198 0.300 . 1 . . . . 16 GLN CG . 10158 1 96 . 1 1 16 16 GLN HG3 H 1 2.494 0.030 . 1 . . . . 16 GLN HG3 . 10158 1 97 . 1 1 16 16 GLN NE2 N 15 113.062 0.300 . 1 . . . . 16 GLN NE2 . 10158 1 98 . 1 1 16 16 GLN HE21 H 1 7.528 0.030 . 2 . . . . 16 GLN HE21 . 10158 1 99 . 1 1 16 16 GLN HE22 H 1 6.970 0.030 . 2 . . . . 16 GLN HE22 . 10158 1 100 . 1 1 16 16 GLN C C 13 176.140 0.300 . 1 . . . . 16 GLN C . 10158 1 101 . 1 1 16 16 GLN HB2 H 1 2.228 0.030 . 2 . . . . 16 GLN HB2 . 10158 1 102 . 1 1 16 16 GLN HG2 H 1 2.494 0.030 . 1 . . . . 16 GLN HG2 . 10158 1 103 . 1 1 17 17 GLU N N 15 120.316 0.300 . 1 . . . . 17 GLU N . 10158 1 104 . 1 1 17 17 GLU H H 1 8.682 0.030 . 1 . . . . 17 GLU H . 10158 1 105 . 1 1 17 17 GLU CA C 13 58.362 0.300 . 1 . . . . 17 GLU CA . 10158 1 106 . 1 1 17 17 GLU HA H 1 4.233 0.030 . 1 . . . . 17 GLU HA . 10158 1 107 . 1 1 17 17 GLU CB C 13 29.552 0.300 . 1 . . . . 17 GLU CB . 10158 1 108 . 1 1 17 17 GLU HB3 H 1 1.436 0.030 . 1 . . . . 17 GLU HB3 . 10158 1 109 . 1 1 17 17 GLU CG C 13 35.715 0.300 . 1 . . . . 17 GLU CG . 10158 1 110 . 1 1 17 17 GLU HG3 H 1 1.807 0.030 . 2 . . . . 17 GLU HG3 . 10158 1 111 . 1 1 17 17 GLU C C 13 177.303 0.300 . 1 . . . . 17 GLU C . 10158 1 112 . 1 1 17 17 GLU HB2 H 1 1.436 0.030 . 1 . . . . 17 GLU HB2 . 10158 1 113 . 1 1 17 17 GLU HG2 H 1 1.921 0.030 . 2 . . . . 17 GLU HG2 . 10158 1 114 . 1 1 18 18 CYS N N 15 114.810 0.300 . 1 . . . . 18 CYS N . 10158 1 115 . 1 1 18 18 CYS H H 1 8.042 0.030 . 1 . . . . 18 CYS H . 10158 1 116 . 1 1 18 18 CYS CA C 13 58.513 0.300 . 1 . . . . 18 CYS CA . 10158 1 117 . 1 1 18 18 CYS HA H 1 5.154 0.030 . 1 . . . . 18 CYS HA . 10158 1 118 . 1 1 18 18 CYS CB C 13 32.408 0.300 . 1 . . . . 18 CYS CB . 10158 1 119 . 1 1 18 18 CYS HB3 H 1 3.424 0.030 . 2 . . . . 18 CYS HB3 . 10158 1 120 . 1 1 18 18 CYS C C 13 176.323 0.300 . 1 . . . . 18 CYS C . 10158 1 121 . 1 1 18 18 CYS HB2 H 1 2.896 0.030 . 2 . . . . 18 CYS HB2 . 10158 1 122 . 1 1 19 19 GLY N N 15 113.476 0.300 . 1 . . . . 19 GLY N . 10158 1 123 . 1 1 19 19 GLY H H 1 8.183 0.030 . 1 . . . . 19 GLY H . 10158 1 124 . 1 1 19 19 GLY CA C 13 46.149 0.300 . 1 . . . . 19 GLY CA . 10158 1 125 . 1 1 19 19 GLY HA3 H 1 4.200 0.030 . 2 . . . . 19 GLY HA3 . 10158 1 126 . 1 1 19 19 GLY C C 13 173.814 0.300 . 1 . . . . 19 GLY C . 10158 1 127 . 1 1 19 19 GLY HA2 H 1 3.921 0.030 . 2 . . . . 19 GLY HA2 . 10158 1 128 . 1 1 20 20 LYS N N 15 122.183 0.300 . 1 . . . . 20 LYS N . 10158 1 129 . 1 1 20 20 LYS H H 1 7.830 0.030 . 1 . . . . 20 LYS H . 10158 1 130 . 1 1 20 20 LYS CA C 13 58.063 0.300 . 1 . . . . 20 LYS CA . 10158 1 131 . 1 1 20 20 LYS HA H 1 3.979 0.030 . 1 . . . . 20 LYS HA . 10158 1 132 . 1 1 20 20 LYS CB C 13 34.034 0.300 . 1 . . . . 20 LYS CB . 10158 1 133 . 1 1 20 20 LYS HB3 H 1 1.168 0.030 . 2 . . . . 20 LYS HB3 . 10158 1 134 . 1 1 20 20 LYS CG C 13 26.268 0.300 . 1 . . . . 20 LYS CG . 10158 1 135 . 1 1 20 20 LYS HG3 H 1 0.978 0.030 . 2 . . . . 20 LYS HG3 . 10158 1 136 . 1 1 20 20 LYS CD C 13 29.353 0.300 . 1 . . . . 20 LYS CD . 10158 1 137 . 1 1 20 20 LYS HD3 H 1 1.426 0.030 . 2 . . . . 20 LYS HD3 . 10158 1 138 . 1 1 20 20 LYS CE C 13 42.174 0.300 . 1 . . . . 20 LYS CE . 10158 1 139 . 1 1 20 20 LYS HE3 H 1 2.885 0.030 . 2 . . . . 20 LYS HE3 . 10158 1 140 . 1 1 20 20 LYS C C 13 174.133 0.300 . 1 . . . . 20 LYS C . 10158 1 141 . 1 1 20 20 LYS HB2 H 1 1.427 0.030 . 2 . . . . 20 LYS HB2 . 10158 1 142 . 1 1 20 20 LYS HD2 H 1 1.508 0.030 . 2 . . . . 20 LYS HD2 . 10158 1 143 . 1 1 20 20 LYS HE2 H 1 2.954 0.030 . 2 . . . . 20 LYS HE2 . 10158 1 144 . 1 1 20 20 LYS HG2 H 1 1.405 0.030 . 2 . . . . 20 LYS HG2 . 10158 1 145 . 1 1 21 21 ILE N N 15 120.927 0.300 . 1 . . . . 21 ILE N . 10158 1 146 . 1 1 21 21 ILE H H 1 7.770 0.030 . 1 . . . . 21 ILE H . 10158 1 147 . 1 1 21 21 ILE CA C 13 60.180 0.300 . 1 . . . . 21 ILE CA . 10158 1 148 . 1 1 21 21 ILE HA H 1 4.452 0.030 . 1 . . . . 21 ILE HA . 10158 1 149 . 1 1 21 21 ILE CB C 13 39.694 0.300 . 1 . . . . 21 ILE CB . 10158 1 150 . 1 1 21 21 ILE HB H 1 1.508 0.030 . 1 . . . . 21 ILE HB . 10158 1 151 . 1 1 21 21 ILE CG1 C 13 27.570 0.300 . 1 . . . . 21 ILE CG1 . 10158 1 152 . 1 1 21 21 ILE HG13 H 1 0.960 0.030 . 2 . . . . 21 ILE HG13 . 10158 1 153 . 1 1 21 21 ILE CG2 C 13 17.861 0.300 . 1 . . . . 21 ILE CG2 . 10158 1 154 . 1 1 21 21 ILE HG21 H 1 0.758 0.030 . 1 . . . . 21 ILE HG2 . 10158 1 155 . 1 1 21 21 ILE HG22 H 1 0.758 0.030 . 1 . . . . 21 ILE HG2 . 10158 1 156 . 1 1 21 21 ILE HG23 H 1 0.758 0.030 . 1 . . . . 21 ILE HG2 . 10158 1 157 . 1 1 21 21 ILE CD1 C 13 13.067 0.300 . 1 . . . . 21 ILE CD1 . 10158 1 158 . 1 1 21 21 ILE HD11 H 1 0.773 0.030 . 1 . . . . 21 ILE HD1 . 10158 1 159 . 1 1 21 21 ILE HD12 H 1 0.773 0.030 . 1 . . . . 21 ILE HD1 . 10158 1 160 . 1 1 21 21 ILE HD13 H 1 0.773 0.030 . 1 . . . . 21 ILE HD1 . 10158 1 161 . 1 1 21 21 ILE C C 13 175.461 0.300 . 1 . . . . 21 ILE C . 10158 1 162 . 1 1 21 21 ILE HG12 H 1 1.548 0.030 . 2 . . . . 21 ILE HG12 . 10158 1 163 . 1 1 22 22 PHE N N 15 123.258 0.300 . 1 . . . . 22 PHE N . 10158 1 164 . 1 1 22 22 PHE H H 1 8.648 0.030 . 1 . . . . 22 PHE H . 10158 1 165 . 1 1 22 22 PHE CA C 13 56.828 0.300 . 1 . . . . 22 PHE CA . 10158 1 166 . 1 1 22 22 PHE HA H 1 4.710 0.030 . 1 . . . . 22 PHE HA . 10158 1 167 . 1 1 22 22 PHE CB C 13 43.452 0.300 . 1 . . . . 22 PHE CB . 10158 1 168 . 1 1 22 22 PHE HB3 H 1 3.116 0.030 . 2 . . . . 22 PHE HB3 . 10158 1 169 . 1 1 22 22 PHE CD1 C 13 132.144 0.300 . 1 . . . . 22 PHE CD1 . 10158 1 170 . 1 1 22 22 PHE HD1 H 1 7.118 0.030 . 1 . . . . 22 PHE HD1 . 10158 1 171 . 1 1 22 22 PHE CD2 C 13 132.144 0.300 . 1 . . . . 22 PHE CD2 . 10158 1 172 . 1 1 22 22 PHE HD2 H 1 7.118 0.030 . 1 . . . . 22 PHE HD2 . 10158 1 173 . 1 1 22 22 PHE CE1 C 13 130.611 0.300 . 1 . . . . 22 PHE CE1 . 10158 1 174 . 1 1 22 22 PHE HE1 H 1 6.807 0.030 . 1 . . . . 22 PHE HE1 . 10158 1 175 . 1 1 22 22 PHE CE2 C 13 130.611 0.300 . 1 . . . . 22 PHE CE2 . 10158 1 176 . 1 1 22 22 PHE HE2 H 1 6.807 0.030 . 1 . . . . 22 PHE HE2 . 10158 1 177 . 1 1 22 22 PHE CZ C 13 128.509 0.300 . 1 . . . . 22 PHE CZ . 10158 1 178 . 1 1 22 22 PHE HZ H 1 6.083 0.030 . 1 . . . . 22 PHE HZ . 10158 1 179 . 1 1 22 22 PHE C C 13 176.151 0.300 . 1 . . . . 22 PHE C . 10158 1 180 . 1 1 22 22 PHE HB2 H 1 2.650 0.030 . 2 . . . . 22 PHE HB2 . 10158 1 181 . 1 1 23 23 ARG N N 15 119.153 0.300 . 1 . . . . 23 ARG N . 10158 1 182 . 1 1 23 23 ARG H H 1 9.094 0.030 . 1 . . . . 23 ARG H . 10158 1 183 . 1 1 23 23 ARG CA C 13 57.288 0.300 . 1 . . . . 23 ARG CA . 10158 1 184 . 1 1 23 23 ARG HA H 1 4.241 0.030 . 1 . . . . 23 ARG HA . 10158 1 185 . 1 1 23 23 ARG CB C 13 30.571 0.300 . 1 . . . . 23 ARG CB . 10158 1 186 . 1 1 23 23 ARG HB3 H 1 1.813 0.030 . 1 . . . . 23 ARG HB3 . 10158 1 187 . 1 1 23 23 ARG CG C 13 27.439 0.300 . 1 . . . . 23 ARG CG . 10158 1 188 . 1 1 23 23 ARG HG3 H 1 1.617 0.030 . 1 . . . . 23 ARG HG3 . 10158 1 189 . 1 1 23 23 ARG CD C 13 43.132 0.300 . 1 . . . . 23 ARG CD . 10158 1 190 . 1 1 23 23 ARG HD3 H 1 3.206 0.030 . 1 . . . . 23 ARG HD3 . 10158 1 191 . 1 1 23 23 ARG C C 13 174.928 0.300 . 1 . . . . 23 ARG C . 10158 1 192 . 1 1 23 23 ARG HB2 H 1 1.813 0.030 . 1 . . . . 23 ARG HB2 . 10158 1 193 . 1 1 23 23 ARG HD2 H 1 3.206 0.030 . 1 . . . . 23 ARG HD2 . 10158 1 194 . 1 1 23 23 ARG HG2 H 1 1.617 0.030 . 1 . . . . 23 ARG HG2 . 10158 1 195 . 1 1 24 24 HIS N N 15 113.877 0.300 . 1 . . . . 24 HIS N . 10158 1 196 . 1 1 24 24 HIS H H 1 7.141 0.030 . 1 . . . . 24 HIS H . 10158 1 197 . 1 1 24 24 HIS CA C 13 56.129 0.300 . 1 . . . . 24 HIS CA . 10158 1 198 . 1 1 24 24 HIS HA H 1 4.863 0.030 . 1 . . . . 24 HIS HA . 10158 1 199 . 1 1 24 24 HIS CB C 13 34.501 0.300 . 1 . . . . 24 HIS CB . 10158 1 200 . 1 1 24 24 HIS HB3 H 1 3.068 0.030 . 2 . . . . 24 HIS HB3 . 10158 1 201 . 1 1 24 24 HIS CD2 C 13 119.474 0.300 . 1 . . . . 24 HIS CD2 . 10158 1 202 . 1 1 24 24 HIS HD2 H 1 7.187 0.030 . 1 . . . . 24 HIS HD2 . 10158 1 203 . 1 1 24 24 HIS CE1 C 13 139.063 0.300 . 1 . . . . 24 HIS CE1 . 10158 1 204 . 1 1 24 24 HIS HE1 H 1 7.846 0.030 . 1 . . . . 24 HIS HE1 . 10158 1 205 . 1 1 24 24 HIS C C 13 176.303 0.300 . 1 . . . . 24 HIS C . 10158 1 206 . 1 1 24 24 HIS HB2 H 1 3.098 0.030 . 2 . . . . 24 HIS HB2 . 10158 1 207 . 1 1 25 25 SER CA C 13 61.779 0.300 . 1 . . . . 25 SER CA . 10158 1 208 . 1 1 25 25 SER HA H 1 4.060 0.030 . 1 . . . . 25 SER HA . 10158 1 209 . 1 1 25 25 SER CB C 13 62.462 0.300 . 1 . . . . 25 SER CB . 10158 1 210 . 1 1 25 25 SER HB3 H 1 3.937 0.030 . 2 . . . . 25 SER HB3 . 10158 1 211 . 1 1 25 25 SER HB2 H 1 3.863 0.030 . 2 . . . . 25 SER HB2 . 10158 1 212 . 1 1 26 26 SER N N 15 119.893 0.300 . 1 . . . . 26 SER N . 10158 1 213 . 1 1 26 26 SER H H 1 9.650 0.030 . 1 . . . . 26 SER H . 10158 1 214 . 1 1 26 26 SER CA C 13 61.866 0.300 . 1 . . . . 26 SER CA . 10158 1 215 . 1 1 26 26 SER HA H 1 3.950 0.030 . 1 . . . . 26 SER HA . 10158 1 216 . 1 1 26 26 SER CB C 13 61.788 0.300 . 1 . . . . 26 SER CB . 10158 1 217 . 1 1 26 26 SER HB3 H 1 4.067 0.030 . 2 . . . . 26 SER HB3 . 10158 1 218 . 1 1 26 26 SER C C 13 176.964 0.300 . 1 . . . . 26 SER C . 10158 1 219 . 1 1 26 26 SER HB2 H 1 4.147 0.030 . 2 . . . . 26 SER HB2 . 10158 1 220 . 1 1 27 27 LEU N N 15 121.674 0.300 . 1 . . . . 27 LEU N . 10158 1 221 . 1 1 27 27 LEU H H 1 7.141 0.030 . 1 . . . . 27 LEU H . 10158 1 222 . 1 1 27 27 LEU CA C 13 56.669 0.300 . 1 . . . . 27 LEU CA . 10158 1 223 . 1 1 27 27 LEU HA H 1 4.170 0.030 . 1 . . . . 27 LEU HA . 10158 1 224 . 1 1 27 27 LEU CB C 13 41.962 0.300 . 1 . . . . 27 LEU CB . 10158 1 225 . 1 1 27 27 LEU HB3 H 1 2.028 0.030 . 2 . . . . 27 LEU HB3 . 10158 1 226 . 1 1 27 27 LEU CG C 13 27.491 0.300 . 1 . . . . 27 LEU CG . 10158 1 227 . 1 1 27 27 LEU HG H 1 1.746 0.030 . 1 . . . . 27 LEU HG . 10158 1 228 . 1 1 27 27 LEU CD1 C 13 26.348 0.300 . 2 . . . . 27 LEU CD1 . 10158 1 229 . 1 1 27 27 LEU HD11 H 1 1.195 0.030 . 1 . . . . 27 LEU HD1 . 10158 1 230 . 1 1 27 27 LEU HD12 H 1 1.195 0.030 . 1 . . . . 27 LEU HD1 . 10158 1 231 . 1 1 27 27 LEU HD13 H 1 1.195 0.030 . 1 . . . . 27 LEU HD1 . 10158 1 232 . 1 1 27 27 LEU CD2 C 13 22.508 0.300 . 2 . . . . 27 LEU CD2 . 10158 1 233 . 1 1 27 27 LEU HD21 H 1 0.975 0.030 . 1 . . . . 27 LEU HD2 . 10158 1 234 . 1 1 27 27 LEU HD22 H 1 0.975 0.030 . 1 . . . . 27 LEU HD2 . 10158 1 235 . 1 1 27 27 LEU HD23 H 1 0.975 0.030 . 1 . . . . 27 LEU HD2 . 10158 1 236 . 1 1 27 27 LEU C C 13 179.312 0.300 . 1 . . . . 27 LEU C . 10158 1 237 . 1 1 27 27 LEU HB2 H 1 1.681 0.030 . 2 . . . . 27 LEU HB2 . 10158 1 238 . 1 1 28 28 LEU N N 15 121.976 0.300 . 1 . . . . 28 LEU N . 10158 1 239 . 1 1 28 28 LEU H H 1 7.075 0.030 . 1 . . . . 28 LEU H . 10158 1 240 . 1 1 28 28 LEU CA C 13 57.616 0.300 . 1 . . . . 28 LEU CA . 10158 1 241 . 1 1 28 28 LEU HA H 1 3.216 0.030 . 1 . . . . 28 LEU HA . 10158 1 242 . 1 1 28 28 LEU CB C 13 40.475 0.300 . 1 . . . . 28 LEU CB . 10158 1 243 . 1 1 28 28 LEU HB3 H 1 2.055 0.030 . 2 . . . . 28 LEU HB3 . 10158 1 244 . 1 1 28 28 LEU CG C 13 27.408 0.300 . 1 . . . . 28 LEU CG . 10158 1 245 . 1 1 28 28 LEU HG H 1 1.487 0.030 . 1 . . . . 28 LEU HG . 10158 1 246 . 1 1 28 28 LEU CD1 C 13 23.170 0.300 . 2 . . . . 28 LEU CD1 . 10158 1 247 . 1 1 28 28 LEU HD11 H 1 0.945 0.030 . 1 . . . . 28 LEU HD1 . 10158 1 248 . 1 1 28 28 LEU HD12 H 1 0.945 0.030 . 1 . . . . 28 LEU HD1 . 10158 1 249 . 1 1 28 28 LEU HD13 H 1 0.945 0.030 . 1 . . . . 28 LEU HD1 . 10158 1 250 . 1 1 28 28 LEU CD2 C 13 25.965 0.300 . 2 . . . . 28 LEU CD2 . 10158 1 251 . 1 1 28 28 LEU HD21 H 1 0.901 0.030 . 1 . . . . 28 LEU HD2 . 10158 1 252 . 1 1 28 28 LEU HD22 H 1 0.901 0.030 . 1 . . . . 28 LEU HD2 . 10158 1 253 . 1 1 28 28 LEU HD23 H 1 0.901 0.030 . 1 . . . . 28 LEU HD2 . 10158 1 254 . 1 1 28 28 LEU C C 13 177.651 0.300 . 1 . . . . 28 LEU C . 10158 1 255 . 1 1 28 28 LEU HB2 H 1 1.210 0.030 . 2 . . . . 28 LEU HB2 . 10158 1 256 . 1 1 29 29 ILE N N 15 119.789 0.300 . 1 . . . . 29 ILE N . 10158 1 257 . 1 1 29 29 ILE H H 1 7.956 0.030 . 1 . . . . 29 ILE H . 10158 1 258 . 1 1 29 29 ILE CA C 13 64.818 0.300 . 1 . . . . 29 ILE CA . 10158 1 259 . 1 1 29 29 ILE HA H 1 3.770 0.030 . 1 . . . . 29 ILE HA . 10158 1 260 . 1 1 29 29 ILE CB C 13 37.729 0.300 . 1 . . . . 29 ILE CB . 10158 1 261 . 1 1 29 29 ILE HB H 1 1.869 0.030 . 1 . . . . 29 ILE HB . 10158 1 262 . 1 1 29 29 ILE CG1 C 13 29.114 0.300 . 1 . . . . 29 ILE CG1 . 10158 1 263 . 1 1 29 29 ILE HG13 H 1 1.236 0.030 . 2 . . . . 29 ILE HG13 . 10158 1 264 . 1 1 29 29 ILE CG2 C 13 17.169 0.300 . 1 . . . . 29 ILE CG2 . 10158 1 265 . 1 1 29 29 ILE HG21 H 1 0.920 0.030 . 1 . . . . 29 ILE HG2 . 10158 1 266 . 1 1 29 29 ILE HG22 H 1 0.920 0.030 . 1 . . . . 29 ILE HG2 . 10158 1 267 . 1 1 29 29 ILE HG23 H 1 0.920 0.030 . 1 . . . . 29 ILE HG2 . 10158 1 268 . 1 1 29 29 ILE CD1 C 13 12.543 0.300 . 1 . . . . 29 ILE CD1 . 10158 1 269 . 1 1 29 29 ILE HD11 H 1 0.835 0.030 . 1 . . . . 29 ILE HD1 . 10158 1 270 . 1 1 29 29 ILE HD12 H 1 0.835 0.030 . 1 . . . . 29 ILE HD1 . 10158 1 271 . 1 1 29 29 ILE HD13 H 1 0.835 0.030 . 1 . . . . 29 ILE HD1 . 10158 1 272 . 1 1 29 29 ILE C C 13 179.269 0.300 . 1 . . . . 29 ILE C . 10158 1 273 . 1 1 29 29 ILE HG12 H 1 1.629 0.030 . 2 . . . . 29 ILE HG12 . 10158 1 274 . 1 1 30 30 GLU N N 15 119.089 0.300 . 1 . . . . 30 GLU N . 10158 1 275 . 1 1 30 30 GLU H H 1 7.425 0.030 . 1 . . . . 30 GLU H . 10158 1 276 . 1 1 30 30 GLU CA C 13 59.239 0.300 . 1 . . . . 30 GLU CA . 10158 1 277 . 1 1 30 30 GLU HA H 1 4.030 0.030 . 1 . . . . 30 GLU HA . 10158 1 278 . 1 1 30 30 GLU CB C 13 29.976 0.300 . 1 . . . . 30 GLU CB . 10158 1 279 . 1 1 30 30 GLU HB3 H 1 2.035 0.030 . 1 . . . . 30 GLU HB3 . 10158 1 280 . 1 1 30 30 GLU CG C 13 36.260 0.300 . 1 . . . . 30 GLU CG . 10158 1 281 . 1 1 30 30 GLU HG3 H 1 2.410 0.030 . 2 . . . . 30 GLU HG3 . 10158 1 282 . 1 1 30 30 GLU C C 13 178.534 0.300 . 1 . . . . 30 GLU C . 10158 1 283 . 1 1 30 30 GLU HB2 H 1 2.035 0.030 . 1 . . . . 30 GLU HB2 . 10158 1 284 . 1 1 30 30 GLU HG2 H 1 2.226 0.030 . 2 . . . . 30 GLU HG2 . 10158 1 285 . 1 1 31 31 HIS N N 15 118.679 0.300 . 1 . . . . 31 HIS N . 10158 1 286 . 1 1 31 31 HIS H H 1 7.493 0.030 . 1 . . . . 31 HIS H . 10158 1 287 . 1 1 31 31 HIS CA C 13 58.956 0.300 . 1 . . . . 31 HIS CA . 10158 1 288 . 1 1 31 31 HIS HA H 1 4.224 0.030 . 1 . . . . 31 HIS HA . 10158 1 289 . 1 1 31 31 HIS CB C 13 28.605 0.300 . 1 . . . . 31 HIS CB . 10158 1 290 . 1 1 31 31 HIS HB3 H 1 2.878 0.030 . 2 . . . . 31 HIS HB3 . 10158 1 291 . 1 1 31 31 HIS CD2 C 13 127.440 0.300 . 1 . . . . 31 HIS CD2 . 10158 1 292 . 1 1 31 31 HIS HD2 H 1 6.980 0.030 . 1 . . . . 31 HIS HD2 . 10158 1 293 . 1 1 31 31 HIS CE1 C 13 139.351 0.300 . 1 . . . . 31 HIS CE1 . 10158 1 294 . 1 1 31 31 HIS HE1 H 1 8.036 0.030 . 1 . . . . 31 HIS HE1 . 10158 1 295 . 1 1 31 31 HIS C C 13 176.314 0.300 . 1 . . . . 31 HIS C . 10158 1 296 . 1 1 31 31 HIS HB2 H 1 3.157 0.030 . 2 . . . . 31 HIS HB2 . 10158 1 297 . 1 1 32 32 GLN N N 15 116.911 0.300 . 1 . . . . 32 GLN N . 10158 1 298 . 1 1 32 32 GLN H H 1 8.454 0.030 . 1 . . . . 32 GLN H . 10158 1 299 . 1 1 32 32 GLN CA C 13 59.194 0.300 . 1 . . . . 32 GLN CA . 10158 1 300 . 1 1 32 32 GLN HA H 1 3.772 0.030 . 1 . . . . 32 GLN HA . 10158 1 301 . 1 1 32 32 GLN CB C 13 28.057 0.300 . 1 . . . . 32 GLN CB . 10158 1 302 . 1 1 32 32 GLN HB3 H 1 2.155 0.030 . 2 . . . . 32 GLN HB3 . 10158 1 303 . 1 1 32 32 GLN CG C 13 35.070 0.300 . 1 . . . . 32 GLN CG . 10158 1 304 . 1 1 32 32 GLN HG3 H 1 2.734 0.030 . 2 . . . . 32 GLN HG3 . 10158 1 305 . 1 1 32 32 GLN NE2 N 15 111.562 0.300 . 1 . . . . 32 GLN NE2 . 10158 1 306 . 1 1 32 32 GLN HE21 H 1 7.514 0.030 . 2 . . . . 32 GLN HE21 . 10158 1 307 . 1 1 32 32 GLN HE22 H 1 6.937 0.030 . 2 . . . . 32 GLN HE22 . 10158 1 308 . 1 1 32 32 GLN C C 13 178.135 0.300 . 1 . . . . 32 GLN C . 10158 1 309 . 1 1 32 32 GLN HB2 H 1 2.326 0.030 . 2 . . . . 32 GLN HB2 . 10158 1 310 . 1 1 32 32 GLN HG2 H 1 2.787 0.030 . 2 . . . . 32 GLN HG2 . 10158 1 311 . 1 1 33 33 ALA N N 15 121.580 0.300 . 1 . . . . 33 ALA N . 10158 1 312 . 1 1 33 33 ALA H H 1 7.279 0.030 . 1 . . . . 33 ALA H . 10158 1 313 . 1 1 33 33 ALA CA C 13 54.593 0.300 . 1 . . . . 33 ALA CA . 10158 1 314 . 1 1 33 33 ALA HA H 1 4.163 0.030 . 1 . . . . 33 ALA HA . 10158 1 315 . 1 1 33 33 ALA CB C 13 18.182 0.300 . 1 . . . . 33 ALA CB . 10158 1 316 . 1 1 33 33 ALA HB1 H 1 1.468 0.030 . 1 . . . . 33 ALA HB . 10158 1 317 . 1 1 33 33 ALA HB2 H 1 1.468 0.030 . 1 . . . . 33 ALA HB . 10158 1 318 . 1 1 33 33 ALA HB3 H 1 1.468 0.030 . 1 . . . . 33 ALA HB . 10158 1 319 . 1 1 33 33 ALA C C 13 179.581 0.300 . 1 . . . . 33 ALA C . 10158 1 320 . 1 1 34 34 LEU N N 15 117.524 0.300 . 1 . . . . 34 LEU N . 10158 1 321 . 1 1 34 34 LEU H H 1 7.733 0.030 . 1 . . . . 34 LEU H . 10158 1 322 . 1 1 34 34 LEU CA C 13 56.653 0.300 . 1 . . . . 34 LEU CA . 10158 1 323 . 1 1 34 34 LEU HA H 1 4.058 0.030 . 1 . . . . 34 LEU HA . 10158 1 324 . 1 1 34 34 LEU CB C 13 41.217 0.300 . 1 . . . . 34 LEU CB . 10158 1 325 . 1 1 34 34 LEU HB3 H 1 1.221 0.030 . 2 . . . . 34 LEU HB3 . 10158 1 326 . 1 1 34 34 LEU CG C 13 26.828 0.300 . 1 . . . . 34 LEU CG . 10158 1 327 . 1 1 34 34 LEU HG H 1 1.594 0.030 . 1 . . . . 34 LEU HG . 10158 1 328 . 1 1 34 34 LEU CD1 C 13 24.943 0.300 . 2 . . . . 34 LEU CD1 . 10158 1 329 . 1 1 34 34 LEU HD11 H 1 0.847 0.030 . 1 . . . . 34 LEU HD1 . 10158 1 330 . 1 1 34 34 LEU HD12 H 1 0.847 0.030 . 1 . . . . 34 LEU HD1 . 10158 1 331 . 1 1 34 34 LEU HD13 H 1 0.847 0.030 . 1 . . . . 34 LEU HD1 . 10158 1 332 . 1 1 34 34 LEU CD2 C 13 23.337 0.300 . 2 . . . . 34 LEU CD2 . 10158 1 333 . 1 1 34 34 LEU HD21 H 1 0.776 0.030 . 1 . . . . 34 LEU HD2 . 10158 1 334 . 1 1 34 34 LEU HD22 H 1 0.776 0.030 . 1 . . . . 34 LEU HD2 . 10158 1 335 . 1 1 34 34 LEU HD23 H 1 0.776 0.030 . 1 . . . . 34 LEU HD2 . 10158 1 336 . 1 1 34 34 LEU C C 13 179.011 0.300 . 1 . . . . 34 LEU C . 10158 1 337 . 1 1 34 34 LEU HB2 H 1 1.388 0.030 . 2 . . . . 34 LEU HB2 . 10158 1 338 . 1 1 35 35 HIS N N 15 115.390 0.300 . 1 . . . . 35 HIS N . 10158 1 339 . 1 1 35 35 HIS H H 1 7.175 0.030 . 1 . . . . 35 HIS H . 10158 1 340 . 1 1 35 35 HIS CA C 13 55.525 0.300 . 1 . . . . 35 HIS CA . 10158 1 341 . 1 1 35 35 HIS HA H 1 4.738 0.030 . 1 . . . . 35 HIS HA . 10158 1 342 . 1 1 35 35 HIS CB C 13 28.715 0.300 . 1 . . . . 35 HIS CB . 10158 1 343 . 1 1 35 35 HIS HB3 H 1 3.113 0.030 . 2 . . . . 35 HIS HB3 . 10158 1 344 . 1 1 35 35 HIS CD2 C 13 127.087 0.300 . 1 . . . . 35 HIS CD2 . 10158 1 345 . 1 1 35 35 HIS HD2 H 1 6.679 0.030 . 1 . . . . 35 HIS HD2 . 10158 1 346 . 1 1 35 35 HIS CE1 C 13 139.768 0.300 . 1 . . . . 35 HIS CE1 . 10158 1 347 . 1 1 35 35 HIS HE1 H 1 8.026 0.030 . 1 . . . . 35 HIS HE1 . 10158 1 348 . 1 1 35 35 HIS C C 13 175.385 0.300 . 1 . . . . 35 HIS C . 10158 1 349 . 1 1 35 35 HIS HB2 H 1 3.326 0.030 . 2 . . . . 35 HIS HB2 . 10158 1 350 . 1 1 36 36 ALA N N 15 122.651 0.300 . 1 . . . . 36 ALA N . 10158 1 351 . 1 1 36 36 ALA H H 1 7.634 0.030 . 1 . . . . 36 ALA H . 10158 1 352 . 1 1 36 36 ALA CA C 13 53.281 0.300 . 1 . . . . 36 ALA CA . 10158 1 353 . 1 1 36 36 ALA HA H 1 4.328 0.030 . 1 . . . . 36 ALA HA . 10158 1 354 . 1 1 36 36 ALA CB C 13 19.154 0.300 . 1 . . . . 36 ALA CB . 10158 1 355 . 1 1 36 36 ALA HB1 H 1 1.459 0.030 . 1 . . . . 36 ALA HB . 10158 1 356 . 1 1 36 36 ALA HB2 H 1 1.459 0.030 . 1 . . . . 36 ALA HB . 10158 1 357 . 1 1 36 36 ALA HB3 H 1 1.459 0.030 . 1 . . . . 36 ALA HB . 10158 1 358 . 1 1 36 36 ALA C C 13 178.273 0.300 . 1 . . . . 36 ALA C . 10158 1 359 . 1 1 37 37 GLY N N 15 107.266 0.300 . 1 . . . . 37 GLY N . 10158 1 360 . 1 1 37 37 GLY H H 1 8.163 0.030 . 1 . . . . 37 GLY H . 10158 1 361 . 1 1 37 37 GLY CA C 13 45.358 0.300 . 1 . . . . 37 GLY CA . 10158 1 362 . 1 1 37 37 GLY HA3 H 1 3.964 0.030 . 2 . . . . 37 GLY HA3 . 10158 1 363 . 1 1 37 37 GLY C C 13 174.369 0.300 . 1 . . . . 37 GLY C . 10158 1 364 . 1 1 37 37 GLY HA2 H 1 4.027 0.030 . 2 . . . . 37 GLY HA2 . 10158 1 365 . 1 1 38 38 GLU N N 15 120.486 0.300 . 1 . . . . 38 GLU N . 10158 1 366 . 1 1 38 38 GLU H H 1 8.160 0.030 . 1 . . . . 38 GLU H . 10158 1 367 . 1 1 38 38 GLU CA C 13 56.658 0.300 . 1 . . . . 38 GLU CA . 10158 1 368 . 1 1 38 38 GLU HA H 1 4.357 0.030 . 1 . . . . 38 GLU HA . 10158 1 369 . 1 1 38 38 GLU CB C 13 30.381 0.300 . 1 . . . . 38 GLU CB . 10158 1 370 . 1 1 38 38 GLU HB3 H 1 2.002 0.030 . 2 . . . . 38 GLU HB3 . 10158 1 371 . 1 1 38 38 GLU CG C 13 36.232 0.300 . 1 . . . . 38 GLU CG . 10158 1 372 . 1 1 38 38 GLU HG3 H 1 2.286 0.030 . 2 . . . . 38 GLU HG3 . 10158 1 373 . 1 1 38 38 GLU C C 13 176.730 0.300 . 1 . . . . 38 GLU C . 10158 1 374 . 1 1 38 38 GLU HB2 H 1 2.113 0.030 . 2 . . . . 38 GLU HB2 . 10158 1 375 . 1 1 38 38 GLU HG2 H 1 2.310 0.030 . 2 . . . . 38 GLU HG2 . 10158 1 376 . 1 1 39 39 SER N N 15 116.555 0.300 . 1 . . . . 39 SER N . 10158 1 377 . 1 1 39 39 SER H H 1 8.391 0.030 . 1 . . . . 39 SER H . 10158 1 378 . 1 1 39 39 SER CA C 13 58.397 0.300 . 1 . . . . 39 SER CA . 10158 1 379 . 1 1 39 39 SER HA H 1 4.515 0.030 . 1 . . . . 39 SER HA . 10158 1 380 . 1 1 39 39 SER CB C 13 63.960 0.300 . 1 . . . . 39 SER CB . 10158 1 381 . 1 1 39 39 SER HB3 H 1 3.898 0.030 . 1 . . . . 39 SER HB3 . 10158 1 382 . 1 1 39 39 SER C C 13 174.602 0.300 . 1 . . . . 39 SER C . 10158 1 383 . 1 1 39 39 SER HB2 H 1 3.898 0.030 . 1 . . . . 39 SER HB2 . 10158 1 384 . 1 1 40 40 GLY N N 15 110.681 0.300 . 1 . . . . 40 GLY N . 10158 1 385 . 1 1 40 40 GLY H H 1 8.239 0.030 . 1 . . . . 40 GLY H . 10158 1 386 . 1 1 40 40 GLY CA C 13 44.666 0.300 . 1 . . . . 40 GLY CA . 10158 1 387 . 1 1 40 40 GLY HA3 H 1 4.087 0.030 . 2 . . . . 40 GLY HA3 . 10158 1 388 . 1 1 40 40 GLY C C 13 171.769 0.300 . 1 . . . . 40 GLY C . 10158 1 389 . 1 1 40 40 GLY HA2 H 1 4.185 0.030 . 2 . . . . 40 GLY HA2 . 10158 1 390 . 1 1 41 41 PRO CA C 13 63.229 0.300 . 1 . . . . 41 PRO CA . 10158 1 391 . 1 1 41 41 PRO HA H 1 4.489 0.030 . 1 . . . . 41 PRO HA . 10158 1 392 . 1 1 41 41 PRO CB C 13 32.192 0.300 . 1 . . . . 41 PRO CB . 10158 1 393 . 1 1 41 41 PRO HB3 H 1 2.300 0.030 . 2 . . . . 41 PRO HB3 . 10158 1 394 . 1 1 41 41 PRO CG C 13 27.196 0.300 . 1 . . . . 41 PRO CG . 10158 1 395 . 1 1 41 41 PRO HG3 H 1 2.022 0.030 . 1 . . . . 41 PRO HG3 . 10158 1 396 . 1 1 41 41 PRO CD C 13 49.782 0.300 . 1 . . . . 41 PRO CD . 10158 1 397 . 1 1 41 41 PRO HD3 H 1 3.635 0.030 . 1 . . . . 41 PRO HD3 . 10158 1 398 . 1 1 41 41 PRO C C 13 177.375 0.300 . 1 . . . . 41 PRO C . 10158 1 399 . 1 1 41 41 PRO HB2 H 1 1.984 0.030 . 2 . . . . 41 PRO HB2 . 10158 1 400 . 1 1 41 41 PRO HD2 H 1 3.635 0.030 . 1 . . . . 41 PRO HD2 . 10158 1 401 . 1 1 41 41 PRO HG2 H 1 2.022 0.030 . 1 . . . . 41 PRO HG2 . 10158 1 402 . 1 1 42 42 SER N N 15 116.504 0.300 . 1 . . . . 42 SER N . 10158 1 403 . 1 1 42 42 SER H H 1 8.544 0.030 . 1 . . . . 42 SER H . 10158 1 404 . 1 1 42 42 SER CA C 13 58.364 0.300 . 1 . . . . 42 SER CA . 10158 1 405 . 1 1 42 42 SER HA H 1 4.470 0.030 . 1 . . . . 42 SER HA . 10158 1 406 . 1 1 42 42 SER CB C 13 64.062 0.300 . 1 . . . . 42 SER CB . 10158 1 407 . 1 1 42 42 SER HB3 H 1 3.875 0.030 . 2 . . . . 42 SER HB3 . 10158 1 408 . 1 1 42 42 SER C C 13 174.704 0.300 . 1 . . . . 42 SER C . 10158 1 409 . 1 1 42 42 SER HB2 H 1 3.875 0.030 . 2 . . . . 42 SER HB2 . 10158 1 410 . 1 1 43 43 SER N N 15 117.992 0.300 . 1 . . . . 43 SER N . 10158 1 411 . 1 1 43 43 SER H H 1 8.358 0.030 . 1 . . . . 43 SER H . 10158 1 412 . 1 1 43 43 SER C C 13 173.921 0.300 . 1 . . . . 43 SER C . 10158 1 stop_ save_