################################### # 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 10182 _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 10182 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10182 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 9 9 GLY CA C 13 45.457 0.300 . 1 . . . . 9 GLY CA . 10182 1 2 . 1 1 9 9 GLY HA2 H 1 3.947 0.030 . 2 . . . . 9 GLY HA2 . 10182 1 3 . 1 1 10 10 GLU N N 15 120.021 0.300 . 1 . . . . 10 GLU N . 10182 1 4 . 1 1 10 10 GLU H H 1 8.232 0.030 . 1 . . . . 10 GLU H . 10182 1 5 . 1 1 10 10 GLU CA C 13 56.989 0.300 . 1 . . . . 10 GLU CA . 10182 1 6 . 1 1 10 10 GLU HA H 1 4.186 0.030 . 1 . . . . 10 GLU HA . 10182 1 7 . 1 1 10 10 GLU CB C 13 30.382 0.300 . 1 . . . . 10 GLU CB . 10182 1 8 . 1 1 10 10 GLU HB3 H 1 1.903 0.030 . 2 . . . . 10 GLU HB3 . 10182 1 9 . 1 1 10 10 GLU CG C 13 36.307 0.300 . 1 . . . . 10 GLU CG . 10182 1 10 . 1 1 10 10 GLU HG3 H 1 2.249 0.030 . 1 . . . . 10 GLU HG3 . 10182 1 11 . 1 1 10 10 GLU HB2 H 1 1.993 0.030 . 2 . . . . 10 GLU HB2 . 10182 1 12 . 1 1 10 10 GLU HG2 H 1 2.249 0.030 . 1 . . . . 10 GLU HG2 . 10182 1 13 . 1 1 11 11 LYS N N 15 121.247 0.300 . 1 . . . . 11 LYS N . 10182 1 14 . 1 1 11 11 LYS H H 1 8.262 0.030 . 1 . . . . 11 LYS H . 10182 1 15 . 1 1 11 11 LYS CA C 13 53.662 0.300 . 1 . . . . 11 LYS CA . 10182 1 16 . 1 1 11 11 LYS HA H 1 4.556 0.030 . 1 . . . . 11 LYS HA . 10182 1 17 . 1 1 11 11 LYS CB C 13 33.383 0.300 . 1 . . . . 11 LYS CB . 10182 1 18 . 1 1 11 11 LYS HB3 H 1 1.308 0.030 . 2 . . . . 11 LYS HB3 . 10182 1 19 . 1 1 11 11 LYS CG C 13 24.816 0.300 . 1 . . . . 11 LYS CG . 10182 1 20 . 1 1 11 11 LYS HG3 H 1 1.298 0.030 . 2 . . . . 11 LYS HG3 . 10182 1 21 . 1 1 11 11 LYS CD C 13 29.511 0.300 . 1 . . . . 11 LYS CD . 10182 1 22 . 1 1 11 11 LYS HD3 H 1 1.486 0.030 . 2 . . . . 11 LYS HD3 . 10182 1 23 . 1 1 11 11 LYS CE C 13 42.367 0.300 . 1 . . . . 11 LYS CE . 10182 1 24 . 1 1 11 11 LYS HE3 H 1 2.902 0.030 . 1 . . . . 11 LYS HE3 . 10182 1 25 . 1 1 11 11 LYS HB2 H 1 1.548 0.030 . 2 . . . . 11 LYS HB2 . 10182 1 26 . 1 1 11 11 LYS HD2 H 1 1.443 0.030 . 2 . . . . 11 LYS HD2 . 10182 1 27 . 1 1 11 11 LYS HE2 H 1 2.902 0.030 . 1 . . . . 11 LYS HE2 . 10182 1 28 . 1 1 11 11 LYS HG2 H 1 1.088 0.030 . 2 . . . . 11 LYS HG2 . 10182 1 29 . 1 1 12 12 PRO CA C 13 63.504 0.300 . 1 . . . . 12 PRO CA . 10182 1 30 . 1 1 12 12 PRO HA H 1 4.297 0.030 . 1 . . . . 12 PRO HA . 10182 1 31 . 1 1 12 12 PRO CB C 13 32.319 0.300 . 1 . . . . 12 PRO CB . 10182 1 32 . 1 1 12 12 PRO HB3 H 1 1.286 0.030 . 2 . . . . 12 PRO HB3 . 10182 1 33 . 1 1 12 12 PRO CG C 13 26.404 0.300 . 1 . . . . 12 PRO CG . 10182 1 34 . 1 1 12 12 PRO HG3 H 1 1.488 0.030 . 2 . . . . 12 PRO HG3 . 10182 1 35 . 1 1 12 12 PRO CD C 13 50.030 0.300 . 1 . . . . 12 PRO CD . 10182 1 36 . 1 1 12 12 PRO HD3 H 1 3.591 0.030 . 2 . . . . 12 PRO HD3 . 10182 1 37 . 1 1 12 12 PRO C C 13 176.573 0.300 . 1 . . . . 12 PRO C . 10182 1 38 . 1 1 12 12 PRO HB2 H 1 1.992 0.030 . 2 . . . . 12 PRO HB2 . 10182 1 39 . 1 1 12 12 PRO HD2 H 1 3.706 0.030 . 2 . . . . 12 PRO HD2 . 10182 1 40 . 1 1 12 12 PRO HG2 H 1 1.783 0.030 . 2 . . . . 12 PRO HG2 . 10182 1 41 . 1 1 13 13 TYR N N 15 119.490 0.300 . 1 . . . . 13 TYR N . 10182 1 42 . 1 1 13 13 TYR H H 1 7.903 0.030 . 1 . . . . 13 TYR H . 10182 1 43 . 1 1 13 13 TYR CA C 13 57.922 0.300 . 1 . . . . 13 TYR CA . 10182 1 44 . 1 1 13 13 TYR HA H 1 4.582 0.030 . 1 . . . . 13 TYR HA . 10182 1 45 . 1 1 13 13 TYR CB C 13 37.887 0.300 . 1 . . . . 13 TYR CB . 10182 1 46 . 1 1 13 13 TYR HB3 H 1 2.947 0.030 . 2 . . . . 13 TYR HB3 . 10182 1 47 . 1 1 13 13 TYR CD1 C 13 133.286 0.300 . 1 . . . . 13 TYR CD1 . 10182 1 48 . 1 1 13 13 TYR HD1 H 1 7.029 0.030 . 1 . . . . 13 TYR HD1 . 10182 1 49 . 1 1 13 13 TYR CD2 C 13 133.286 0.300 . 1 . . . . 13 TYR CD2 . 10182 1 50 . 1 1 13 13 TYR HD2 H 1 7.029 0.030 . 1 . . . . 13 TYR HD2 . 10182 1 51 . 1 1 13 13 TYR CE1 C 13 118.468 0.300 . 1 . . . . 13 TYR CE1 . 10182 1 52 . 1 1 13 13 TYR HE1 H 1 6.912 0.030 . 1 . . . . 13 TYR HE1 . 10182 1 53 . 1 1 13 13 TYR CE2 C 13 118.468 0.300 . 1 . . . . 13 TYR CE2 . 10182 1 54 . 1 1 13 13 TYR HE2 H 1 6.912 0.030 . 1 . . . . 13 TYR HE2 . 10182 1 55 . 1 1 13 13 TYR C C 13 174.376 0.300 . 1 . . . . 13 TYR C . 10182 1 56 . 1 1 13 13 TYR HB2 H 1 2.875 0.030 . 2 . . . . 13 TYR HB2 . 10182 1 57 . 1 1 14 14 VAL N N 15 125.513 0.300 . 1 . . . . 14 VAL N . 10182 1 58 . 1 1 14 14 VAL H H 1 8.446 0.030 . 1 . . . . 14 VAL H . 10182 1 59 . 1 1 14 14 VAL CA C 13 61.477 0.300 . 1 . . . . 14 VAL CA . 10182 1 60 . 1 1 14 14 VAL HA H 1 4.552 0.030 . 1 . . . . 14 VAL HA . 10182 1 61 . 1 1 14 14 VAL CB C 13 34.386 0.300 . 1 . . . . 14 VAL CB . 10182 1 62 . 1 1 14 14 VAL HB H 1 1.843 0.030 . 1 . . . . 14 VAL HB . 10182 1 63 . 1 1 14 14 VAL CG1 C 13 21.419 0.300 . 2 . . . . 14 VAL CG1 . 10182 1 64 . 1 1 14 14 VAL HG11 H 1 0.817 0.030 . 1 . . . . 14 VAL HG1 . 10182 1 65 . 1 1 14 14 VAL HG12 H 1 0.817 0.030 . 1 . . . . 14 VAL HG1 . 10182 1 66 . 1 1 14 14 VAL HG13 H 1 0.817 0.030 . 1 . . . . 14 VAL HG1 . 10182 1 67 . 1 1 14 14 VAL CG2 C 13 20.993 0.300 . 2 . . . . 14 VAL CG2 . 10182 1 68 . 1 1 14 14 VAL HG21 H 1 0.742 0.030 . 1 . . . . 14 VAL HG2 . 10182 1 69 . 1 1 14 14 VAL HG22 H 1 0.742 0.030 . 1 . . . . 14 VAL HG2 . 10182 1 70 . 1 1 14 14 VAL HG23 H 1 0.742 0.030 . 1 . . . . 14 VAL HG2 . 10182 1 71 . 1 1 14 14 VAL C C 13 175.372 0.300 . 1 . . . . 14 VAL C . 10182 1 72 . 1 1 15 15 CYS N N 15 129.259 0.300 . 1 . . . . 15 CYS N . 10182 1 73 . 1 1 15 15 CYS H H 1 9.292 0.030 . 1 . . . . 15 CYS H . 10182 1 74 . 1 1 15 15 CYS CA C 13 60.158 0.300 . 1 . . . . 15 CYS CA . 10182 1 75 . 1 1 15 15 CYS HA H 1 4.513 0.030 . 1 . . . . 15 CYS HA . 10182 1 76 . 1 1 15 15 CYS CB C 13 29.975 0.300 . 1 . . . . 15 CYS CB . 10182 1 77 . 1 1 15 15 CYS HB3 H 1 2.979 0.030 . 2 . . . . 15 CYS HB3 . 10182 1 78 . 1 1 15 15 CYS C C 13 176.962 0.300 . 1 . . . . 15 CYS C . 10182 1 79 . 1 1 15 15 CYS HB2 H 1 3.514 0.030 . 2 . . . . 15 CYS HB2 . 10182 1 80 . 1 1 16 16 ASP N N 15 115.898 0.300 . 1 . . . . 16 ASP N . 10182 1 81 . 1 1 16 16 ASP H H 1 9.396 0.030 . 1 . . . . 16 ASP H . 10182 1 82 . 1 1 16 16 ASP CA C 13 56.513 0.300 . 1 . . . . 16 ASP CA . 10182 1 83 . 1 1 16 16 ASP HA H 1 4.402 0.030 . 1 . . . . 16 ASP HA . 10182 1 84 . 1 1 16 16 ASP CB C 13 40.801 0.300 . 1 . . . . 16 ASP CB . 10182 1 85 . 1 1 16 16 ASP HB3 H 1 2.417 0.030 . 2 . . . . 16 ASP HB3 . 10182 1 86 . 1 1 16 16 ASP C C 13 176.136 0.300 . 1 . . . . 16 ASP C . 10182 1 87 . 1 1 16 16 ASP HB2 H 1 2.543 0.030 . 2 . . . . 16 ASP HB2 . 10182 1 88 . 1 1 17 17 TYR N N 15 119.369 0.300 . 1 . . . . 17 TYR N . 10182 1 89 . 1 1 17 17 TYR H H 1 8.841 0.030 . 1 . . . . 17 TYR H . 10182 1 90 . 1 1 17 17 TYR CA C 13 60.339 0.300 . 1 . . . . 17 TYR CA . 10182 1 91 . 1 1 17 17 TYR HA H 1 4.242 0.030 . 1 . . . . 17 TYR HA . 10182 1 92 . 1 1 17 17 TYR CB C 13 37.705 0.300 . 1 . . . . 17 TYR CB . 10182 1 93 . 1 1 17 17 TYR HB3 H 1 2.096 0.030 . 2 . . . . 17 TYR HB3 . 10182 1 94 . 1 1 17 17 TYR CD1 C 13 132.956 0.300 . 1 . . . . 17 TYR CD1 . 10182 1 95 . 1 1 17 17 TYR HD1 H 1 6.907 0.030 . 1 . . . . 17 TYR HD1 . 10182 1 96 . 1 1 17 17 TYR CD2 C 13 132.956 0.300 . 1 . . . . 17 TYR CD2 . 10182 1 97 . 1 1 17 17 TYR HD2 H 1 6.907 0.030 . 1 . . . . 17 TYR HD2 . 10182 1 98 . 1 1 17 17 TYR CE1 C 13 118.096 0.300 . 1 . . . . 17 TYR CE1 . 10182 1 99 . 1 1 17 17 TYR HE1 H 1 6.782 0.030 . 1 . . . . 17 TYR HE1 . 10182 1 100 . 1 1 17 17 TYR CE2 C 13 118.096 0.300 . 1 . . . . 17 TYR CE2 . 10182 1 101 . 1 1 17 17 TYR HE2 H 1 6.782 0.030 . 1 . . . . 17 TYR HE2 . 10182 1 102 . 1 1 17 17 TYR C C 13 177.144 0.300 . 1 . . . . 17 TYR C . 10182 1 103 . 1 1 17 17 TYR HB2 H 1 2.300 0.030 . 2 . . . . 17 TYR HB2 . 10182 1 104 . 1 1 18 18 CYS N N 15 114.506 0.300 . 1 . . . . 18 CYS N . 10182 1 105 . 1 1 18 18 CYS H H 1 7.999 0.030 . 1 . . . . 18 CYS H . 10182 1 106 . 1 1 18 18 CYS CA C 13 58.405 0.300 . 1 . . . . 18 CYS CA . 10182 1 107 . 1 1 18 18 CYS HA H 1 5.187 0.030 . 1 . . . . 18 CYS HA . 10182 1 108 . 1 1 18 18 CYS CB C 13 32.949 0.300 . 1 . . . . 18 CYS CB . 10182 1 109 . 1 1 18 18 CYS HB3 H 1 2.884 0.030 . 2 . . . . 18 CYS HB3 . 10182 1 110 . 1 1 18 18 CYS C C 13 176.258 0.300 . 1 . . . . 18 CYS C . 10182 1 111 . 1 1 18 18 CYS HB2 H 1 3.502 0.030 . 2 . . . . 18 CYS HB2 . 10182 1 112 . 1 1 19 19 GLY N N 15 113.706 0.300 . 1 . . . . 19 GLY N . 10182 1 113 . 1 1 19 19 GLY H H 1 8.288 0.030 . 1 . . . . 19 GLY H . 10182 1 114 . 1 1 19 19 GLY CA C 13 46.197 0.300 . 1 . . . . 19 GLY CA . 10182 1 115 . 1 1 19 19 GLY HA3 H 1 4.220 0.030 . 2 . . . . 19 GLY HA3 . 10182 1 116 . 1 1 19 19 GLY C C 13 173.563 0.300 . 1 . . . . 19 GLY C . 10182 1 117 . 1 1 19 19 GLY HA2 H 1 3.750 0.030 . 2 . . . . 19 GLY HA2 . 10182 1 118 . 1 1 20 20 LYS N N 15 123.570 0.300 . 1 . . . . 20 LYS N . 10182 1 119 . 1 1 20 20 LYS H H 1 8.091 0.030 . 1 . . . . 20 LYS H . 10182 1 120 . 1 1 20 20 LYS CA C 13 58.371 0.300 . 1 . . . . 20 LYS CA . 10182 1 121 . 1 1 20 20 LYS HA H 1 3.934 0.030 . 1 . . . . 20 LYS HA . 10182 1 122 . 1 1 20 20 LYS CB C 13 33.556 0.300 . 1 . . . . 20 LYS CB . 10182 1 123 . 1 1 20 20 LYS HB3 H 1 1.218 0.030 . 2 . . . . 20 LYS HB3 . 10182 1 124 . 1 1 20 20 LYS CG C 13 26.257 0.300 . 1 . . . . 20 LYS CG . 10182 1 125 . 1 1 20 20 LYS HG3 H 1 1.372 0.030 . 2 . . . . 20 LYS HG3 . 10182 1 126 . 1 1 20 20 LYS CD C 13 29.323 0.300 . 1 . . . . 20 LYS CD . 10182 1 127 . 1 1 20 20 LYS HD3 H 1 1.447 0.030 . 2 . . . . 20 LYS HD3 . 10182 1 128 . 1 1 20 20 LYS CE C 13 42.188 0.300 . 1 . . . . 20 LYS CE . 10182 1 129 . 1 1 20 20 LYS HE3 H 1 2.983 0.030 . 1 . . . . 20 LYS HE3 . 10182 1 130 . 1 1 20 20 LYS C C 13 173.490 0.300 . 1 . . . . 20 LYS C . 10182 1 131 . 1 1 20 20 LYS HB2 H 1 1.487 0.030 . 2 . . . . 20 LYS HB2 . 10182 1 132 . 1 1 20 20 LYS HD2 H 1 1.534 0.030 . 2 . . . . 20 LYS HD2 . 10182 1 133 . 1 1 20 20 LYS HE2 H 1 2.983 0.030 . 1 . . . . 20 LYS HE2 . 10182 1 134 . 1 1 20 20 LYS HG2 H 1 1.036 0.030 . 2 . . . . 20 LYS HG2 . 10182 1 135 . 1 1 21 21 ALA N N 15 124.602 0.300 . 1 . . . . 21 ALA N . 10182 1 136 . 1 1 21 21 ALA H H 1 7.707 0.030 . 1 . . . . 21 ALA H . 10182 1 137 . 1 1 21 21 ALA CA C 13 50.258 0.300 . 1 . . . . 21 ALA CA . 10182 1 138 . 1 1 21 21 ALA HA H 1 5.182 0.030 . 1 . . . . 21 ALA HA . 10182 1 139 . 1 1 21 21 ALA CB C 13 22.647 0.300 . 1 . . . . 21 ALA CB . 10182 1 140 . 1 1 21 21 ALA HB1 H 1 1.245 0.030 . 1 . . . . 21 ALA HB . 10182 1 141 . 1 1 21 21 ALA HB2 H 1 1.245 0.030 . 1 . . . . 21 ALA HB . 10182 1 142 . 1 1 21 21 ALA HB3 H 1 1.245 0.030 . 1 . . . . 21 ALA HB . 10182 1 143 . 1 1 21 21 ALA C C 13 176.452 0.300 . 1 . . . . 21 ALA C . 10182 1 144 . 1 1 22 22 PHE N N 15 117.531 0.300 . 1 . . . . 22 PHE N . 10182 1 145 . 1 1 22 22 PHE H H 1 8.993 0.030 . 1 . . . . 22 PHE H . 10182 1 146 . 1 1 22 22 PHE CA C 13 57.291 0.300 . 1 . . . . 22 PHE CA . 10182 1 147 . 1 1 22 22 PHE HA H 1 4.681 0.030 . 1 . . . . 22 PHE HA . 10182 1 148 . 1 1 22 22 PHE CB C 13 43.492 0.300 . 1 . . . . 22 PHE CB . 10182 1 149 . 1 1 22 22 PHE HB3 H 1 2.735 0.030 . 2 . . . . 22 PHE HB3 . 10182 1 150 . 1 1 22 22 PHE CD1 C 13 132.543 0.300 . 1 . . . . 22 PHE CD1 . 10182 1 151 . 1 1 22 22 PHE HD1 H 1 7.237 0.030 . 1 . . . . 22 PHE HD1 . 10182 1 152 . 1 1 22 22 PHE CD2 C 13 132.543 0.300 . 1 . . . . 22 PHE CD2 . 10182 1 153 . 1 1 22 22 PHE HD2 H 1 7.237 0.030 . 1 . . . . 22 PHE HD2 . 10182 1 154 . 1 1 22 22 PHE CE1 C 13 130.609 0.300 . 1 . . . . 22 PHE CE1 . 10182 1 155 . 1 1 22 22 PHE HE1 H 1 6.850 0.030 . 1 . . . . 22 PHE HE1 . 10182 1 156 . 1 1 22 22 PHE CE2 C 13 130.609 0.300 . 1 . . . . 22 PHE CE2 . 10182 1 157 . 1 1 22 22 PHE HE2 H 1 6.850 0.030 . 1 . . . . 22 PHE HE2 . 10182 1 158 . 1 1 22 22 PHE CZ C 13 128.558 0.300 . 1 . . . . 22 PHE CZ . 10182 1 159 . 1 1 22 22 PHE HZ H 1 6.243 0.030 . 1 . . . . 22 PHE HZ . 10182 1 160 . 1 1 22 22 PHE C C 13 175.518 0.300 . 1 . . . . 22 PHE C . 10182 1 161 . 1 1 22 22 PHE HB2 H 1 3.513 0.030 . 2 . . . . 22 PHE HB2 . 10182 1 162 . 1 1 23 23 GLY N N 15 108.429 0.300 . 1 . . . . 23 GLY N . 10182 1 163 . 1 1 23 23 GLY H H 1 9.218 0.030 . 1 . . . . 23 GLY H . 10182 1 164 . 1 1 23 23 GLY CA C 13 46.310 0.300 . 1 . . . . 23 GLY CA . 10182 1 165 . 1 1 23 23 GLY HA3 H 1 4.441 0.030 . 2 . . . . 23 GLY HA3 . 10182 1 166 . 1 1 23 23 GLY C C 13 173.456 0.300 . 1 . . . . 23 GLY C . 10182 1 167 . 1 1 23 23 GLY HA2 H 1 4.101 0.030 . 2 . . . . 23 GLY HA2 . 10182 1 168 . 1 1 24 24 LEU N N 15 117.612 0.300 . 1 . . . . 24 LEU N . 10182 1 169 . 1 1 24 24 LEU H H 1 7.590 0.030 . 1 . . . . 24 LEU H . 10182 1 170 . 1 1 24 24 LEU CA C 13 53.046 0.300 . 1 . . . . 24 LEU CA . 10182 1 171 . 1 1 24 24 LEU HA H 1 4.876 0.030 . 1 . . . . 24 LEU HA . 10182 1 172 . 1 1 24 24 LEU CB C 13 45.217 0.300 . 1 . . . . 24 LEU CB . 10182 1 173 . 1 1 24 24 LEU HB3 H 1 1.622 0.030 . 1 . . . . 24 LEU HB3 . 10182 1 174 . 1 1 24 24 LEU CG C 13 26.946 0.300 . 1 . . . . 24 LEU CG . 10182 1 175 . 1 1 24 24 LEU HG H 1 1.665 0.030 . 1 . . . . 24 LEU HG . 10182 1 176 . 1 1 24 24 LEU CD1 C 13 25.425 0.300 . 2 . . . . 24 LEU CD1 . 10182 1 177 . 1 1 24 24 LEU HD11 H 1 0.955 0.030 . 1 . . . . 24 LEU HD1 . 10182 1 178 . 1 1 24 24 LEU HD12 H 1 0.955 0.030 . 1 . . . . 24 LEU HD1 . 10182 1 179 . 1 1 24 24 LEU HD13 H 1 0.955 0.030 . 1 . . . . 24 LEU HD1 . 10182 1 180 . 1 1 24 24 LEU CD2 C 13 23.495 0.300 . 2 . . . . 24 LEU CD2 . 10182 1 181 . 1 1 24 24 LEU HD21 H 1 1.020 0.030 . 1 . . . . 24 LEU HD2 . 10182 1 182 . 1 1 24 24 LEU HD22 H 1 1.020 0.030 . 1 . . . . 24 LEU HD2 . 10182 1 183 . 1 1 24 24 LEU HD23 H 1 1.020 0.030 . 1 . . . . 24 LEU HD2 . 10182 1 184 . 1 1 24 24 LEU C C 13 177.375 0.300 . 1 . . . . 24 LEU C . 10182 1 185 . 1 1 24 24 LEU HB2 H 1 1.622 0.030 . 1 . . . . 24 LEU HB2 . 10182 1 186 . 1 1 25 25 SER N N 15 121.264 0.300 . 1 . . . . 25 SER N . 10182 1 187 . 1 1 25 25 SER H H 1 8.392 0.030 . 1 . . . . 25 SER H . 10182 1 188 . 1 1 25 25 SER CA C 13 61.134 0.300 . 1 . . . . 25 SER CA . 10182 1 189 . 1 1 25 25 SER HA H 1 3.053 0.030 . 1 . . . . 25 SER HA . 10182 1 190 . 1 1 25 25 SER CB C 13 61.763 0.300 . 1 . . . . 25 SER CB . 10182 1 191 . 1 1 25 25 SER HB3 H 1 3.401 0.030 . 2 . . . . 25 SER HB3 . 10182 1 192 . 1 1 25 25 SER HB2 H 1 3.235 0.030 . 2 . . . . 25 SER HB2 . 10182 1 193 . 1 1 26 26 ALA N N 15 120.264 0.300 . 1 . . . . 26 ALA N . 10182 1 194 . 1 1 26 26 ALA H H 1 8.540 0.030 . 1 . . . . 26 ALA H . 10182 1 195 . 1 1 26 26 ALA CA C 13 54.998 0.300 . 1 . . . . 26 ALA CA . 10182 1 196 . 1 1 26 26 ALA HA H 1 3.941 0.030 . 1 . . . . 26 ALA HA . 10182 1 197 . 1 1 26 26 ALA CB C 13 18.632 0.300 . 1 . . . . 26 ALA CB . 10182 1 198 . 1 1 26 26 ALA HB1 H 1 1.340 0.030 . 1 . . . . 26 ALA HB . 10182 1 199 . 1 1 26 26 ALA HB2 H 1 1.340 0.030 . 1 . . . . 26 ALA HB . 10182 1 200 . 1 1 26 26 ALA HB3 H 1 1.340 0.030 . 1 . . . . 26 ALA HB . 10182 1 201 . 1 1 26 26 ALA C C 13 180.701 0.300 . 1 . . . . 26 ALA C . 10182 1 202 . 1 1 27 27 GLU N N 15 114.495 0.300 . 1 . . . . 27 GLU N . 10182 1 203 . 1 1 27 27 GLU H H 1 6.760 0.030 . 1 . . . . 27 GLU H . 10182 1 204 . 1 1 27 27 GLU CA C 13 58.170 0.300 . 1 . . . . 27 GLU CA . 10182 1 205 . 1 1 27 27 GLU HA H 1 3.847 0.030 . 1 . . . . 27 GLU HA . 10182 1 206 . 1 1 27 27 GLU CB C 13 30.158 0.300 . 1 . . . . 27 GLU CB . 10182 1 207 . 1 1 27 27 GLU HB3 H 1 2.013 0.030 . 2 . . . . 27 GLU HB3 . 10182 1 208 . 1 1 27 27 GLU CG C 13 37.218 0.300 . 1 . . . . 27 GLU CG . 10182 1 209 . 1 1 27 27 GLU HG3 H 1 2.347 0.030 . 2 . . . . 27 GLU HG3 . 10182 1 210 . 1 1 27 27 GLU C C 13 178.856 0.300 . 1 . . . . 27 GLU C . 10182 1 211 . 1 1 27 27 GLU HB2 H 1 2.395 0.030 . 2 . . . . 27 GLU HB2 . 10182 1 212 . 1 1 27 27 GLU HG2 H 1 2.264 0.030 . 2 . . . . 27 GLU HG2 . 10182 1 213 . 1 1 28 28 LEU N N 15 121.928 0.300 . 1 . . . . 28 LEU N . 10182 1 214 . 1 1 28 28 LEU H H 1 6.961 0.030 . 1 . . . . 28 LEU H . 10182 1 215 . 1 1 28 28 LEU CA C 13 57.950 0.300 . 1 . . . . 28 LEU CA . 10182 1 216 . 1 1 28 28 LEU HA H 1 3.347 0.030 . 1 . . . . 28 LEU HA . 10182 1 217 . 1 1 28 28 LEU CB C 13 40.130 0.300 . 1 . . . . 28 LEU CB . 10182 1 218 . 1 1 28 28 LEU HB3 H 1 1.305 0.030 . 2 . . . . 28 LEU HB3 . 10182 1 219 . 1 1 28 28 LEU CG C 13 27.659 0.300 . 1 . . . . 28 LEU CG . 10182 1 220 . 1 1 28 28 LEU HG H 1 1.554 0.030 . 1 . . . . 28 LEU HG . 10182 1 221 . 1 1 28 28 LEU CD1 C 13 26.199 0.300 . 2 . . . . 28 LEU CD1 . 10182 1 222 . 1 1 28 28 LEU HD11 H 1 1.050 0.030 . 1 . . . . 28 LEU HD1 . 10182 1 223 . 1 1 28 28 LEU HD12 H 1 1.050 0.030 . 1 . . . . 28 LEU HD1 . 10182 1 224 . 1 1 28 28 LEU HD13 H 1 1.050 0.030 . 1 . . . . 28 LEU HD1 . 10182 1 225 . 1 1 28 28 LEU CD2 C 13 22.912 0.300 . 2 . . . . 28 LEU CD2 . 10182 1 226 . 1 1 28 28 LEU HD21 H 1 1.101 0.030 . 1 . . . . 28 LEU HD2 . 10182 1 227 . 1 1 28 28 LEU HD22 H 1 1.101 0.030 . 1 . . . . 28 LEU HD2 . 10182 1 228 . 1 1 28 28 LEU HD23 H 1 1.101 0.030 . 1 . . . . 28 LEU HD2 . 10182 1 229 . 1 1 28 28 LEU C C 13 177.702 0.300 . 1 . . . . 28 LEU C . 10182 1 230 . 1 1 28 28 LEU HB2 H 1 2.068 0.030 . 2 . . . . 28 LEU HB2 . 10182 1 231 . 1 1 29 29 VAL N N 15 119.082 0.300 . 1 . . . . 29 VAL N . 10182 1 232 . 1 1 29 29 VAL H H 1 8.093 0.030 . 1 . . . . 29 VAL H . 10182 1 233 . 1 1 29 29 VAL CA C 13 66.576 0.300 . 1 . . . . 29 VAL CA . 10182 1 234 . 1 1 29 29 VAL HA H 1 3.614 0.030 . 1 . . . . 29 VAL HA . 10182 1 235 . 1 1 29 29 VAL CB C 13 31.696 0.300 . 1 . . . . 29 VAL CB . 10182 1 236 . 1 1 29 29 VAL HB H 1 1.916 0.030 . 1 . . . . 29 VAL HB . 10182 1 237 . 1 1 29 29 VAL CG1 C 13 22.502 0.300 . 2 . . . . 29 VAL CG1 . 10182 1 238 . 1 1 29 29 VAL HG11 H 1 0.963 0.030 . 1 . . . . 29 VAL HG1 . 10182 1 239 . 1 1 29 29 VAL HG12 H 1 0.963 0.030 . 1 . . . . 29 VAL HG1 . 10182 1 240 . 1 1 29 29 VAL HG13 H 1 0.963 0.030 . 1 . . . . 29 VAL HG1 . 10182 1 241 . 1 1 29 29 VAL CG2 C 13 20.983 0.300 . 2 . . . . 29 VAL CG2 . 10182 1 242 . 1 1 29 29 VAL HG21 H 1 0.877 0.030 . 1 . . . . 29 VAL HG2 . 10182 1 243 . 1 1 29 29 VAL HG22 H 1 0.877 0.030 . 1 . . . . 29 VAL HG2 . 10182 1 244 . 1 1 29 29 VAL HG23 H 1 0.877 0.030 . 1 . . . . 29 VAL HG2 . 10182 1 245 . 1 1 29 29 VAL C C 13 178.880 0.300 . 1 . . . . 29 VAL C . 10182 1 246 . 1 1 30 30 ARG N N 15 117.780 0.300 . 1 . . . . 30 ARG N . 10182 1 247 . 1 1 30 30 ARG H H 1 7.334 0.030 . 1 . . . . 30 ARG H . 10182 1 248 . 1 1 30 30 ARG CA C 13 59.465 0.300 . 1 . . . . 30 ARG CA . 10182 1 249 . 1 1 30 30 ARG HA H 1 3.919 0.030 . 1 . . . . 30 ARG HA . 10182 1 250 . 1 1 30 30 ARG CB C 13 30.372 0.300 . 1 . . . . 30 ARG CB . 10182 1 251 . 1 1 30 30 ARG HB3 H 1 1.782 0.030 . 1 . . . . 30 ARG HB3 . 10182 1 252 . 1 1 30 30 ARG CG C 13 27.721 0.300 . 1 . . . . 30 ARG CG . 10182 1 253 . 1 1 30 30 ARG HG3 H 1 1.723 0.030 . 2 . . . . 30 ARG HG3 . 10182 1 254 . 1 1 30 30 ARG CD C 13 43.479 0.300 . 1 . . . . 30 ARG CD . 10182 1 255 . 1 1 30 30 ARG C C 13 178.976 0.300 . 1 . . . . 30 ARG C . 10182 1 256 . 1 1 30 30 ARG HB2 H 1 1.782 0.030 . 1 . . . . 30 ARG HB2 . 10182 1 257 . 1 1 30 30 ARG HD2 H 1 3.187 0.030 . 2 . . . . 30 ARG HD2 . 10182 1 258 . 1 1 30 30 ARG HG2 H 1 1.541 0.030 . 2 . . . . 30 ARG HG2 . 10182 1 259 . 1 1 31 31 HIS N N 15 118.952 0.300 . 1 . . . . 31 HIS N . 10182 1 260 . 1 1 31 31 HIS H H 1 7.707 0.030 . 1 . . . . 31 HIS H . 10182 1 261 . 1 1 31 31 HIS CA C 13 59.106 0.300 . 1 . . . . 31 HIS CA . 10182 1 262 . 1 1 31 31 HIS HA H 1 4.197 0.030 . 1 . . . . 31 HIS HA . 10182 1 263 . 1 1 31 31 HIS CB C 13 28.625 0.300 . 1 . . . . 31 HIS CB . 10182 1 264 . 1 1 31 31 HIS HB3 H 1 2.881 0.030 . 2 . . . . 31 HIS HB3 . 10182 1 265 . 1 1 31 31 HIS CD2 C 13 127.346 0.300 . 1 . . . . 31 HIS CD2 . 10182 1 266 . 1 1 31 31 HIS HD2 H 1 7.056 0.030 . 1 . . . . 31 HIS HD2 . 10182 1 267 . 1 1 31 31 HIS CE1 C 13 139.679 0.300 . 1 . . . . 31 HIS CE1 . 10182 1 268 . 1 1 31 31 HIS HE1 H 1 8.090 0.030 . 1 . . . . 31 HIS HE1 . 10182 1 269 . 1 1 31 31 HIS C C 13 176.294 0.300 . 1 . . . . 31 HIS C . 10182 1 270 . 1 1 31 31 HIS HB2 H 1 3.127 0.030 . 2 . . . . 31 HIS HB2 . 10182 1 271 . 1 1 32 32 GLN N N 15 114.837 0.300 . 1 . . . . 32 GLN N . 10182 1 272 . 1 1 32 32 GLN H H 1 8.512 0.030 . 1 . . . . 32 GLN H . 10182 1 273 . 1 1 32 32 GLN CA C 13 59.527 0.300 . 1 . . . . 32 GLN CA . 10182 1 274 . 1 1 32 32 GLN HA H 1 3.682 0.030 . 1 . . . . 32 GLN HA . 10182 1 275 . 1 1 32 32 GLN CB C 13 28.414 0.300 . 1 . . . . 32 GLN CB . 10182 1 276 . 1 1 32 32 GLN HB3 H 1 2.372 0.030 . 2 . . . . 32 GLN HB3 . 10182 1 277 . 1 1 32 32 GLN CG C 13 35.937 0.300 . 1 . . . . 32 GLN CG . 10182 1 278 . 1 1 32 32 GLN HG3 H 1 2.954 0.030 . 2 . . . . 32 GLN HG3 . 10182 1 279 . 1 1 32 32 GLN NE2 N 15 112.527 0.300 . 1 . . . . 32 GLN NE2 . 10182 1 280 . 1 1 32 32 GLN HE21 H 1 7.232 0.030 . 2 . . . . 32 GLN HE21 . 10182 1 281 . 1 1 32 32 GLN HE22 H 1 7.592 0.030 . 2 . . . . 32 GLN HE22 . 10182 1 282 . 1 1 32 32 GLN C C 13 177.046 0.300 . 1 . . . . 32 GLN C . 10182 1 283 . 1 1 32 32 GLN HB2 H 1 2.242 0.030 . 2 . . . . 32 GLN HB2 . 10182 1 284 . 1 1 32 32 GLN HG2 H 1 2.876 0.030 . 2 . . . . 32 GLN HG2 . 10182 1 285 . 1 1 33 33 ARG N N 15 117.734 0.300 . 1 . . . . 33 ARG N . 10182 1 286 . 1 1 33 33 ARG H H 1 7.088 0.030 . 1 . . . . 33 ARG H . 10182 1 287 . 1 1 33 33 ARG CA C 13 58.432 0.300 . 1 . . . . 33 ARG CA . 10182 1 288 . 1 1 33 33 ARG HA H 1 4.115 0.030 . 1 . . . . 33 ARG HA . 10182 1 289 . 1 1 33 33 ARG CB C 13 30.016 0.300 . 1 . . . . 33 ARG CB . 10182 1 290 . 1 1 33 33 ARG HB3 H 1 1.854 0.030 . 2 . . . . 33 ARG HB3 . 10182 1 291 . 1 1 33 33 ARG CG C 13 27.592 0.300 . 1 . . . . 33 ARG CG . 10182 1 292 . 1 1 33 33 ARG HG3 H 1 1.841 0.030 . 2 . . . . 33 ARG HG3 . 10182 1 293 . 1 1 33 33 ARG CD C 13 43.479 0.300 . 1 . . . . 33 ARG CD . 10182 1 294 . 1 1 33 33 ARG C C 13 178.394 0.300 . 1 . . . . 33 ARG C . 10182 1 295 . 1 1 33 33 ARG HB2 H 1 1.760 0.030 . 2 . . . . 33 ARG HB2 . 10182 1 296 . 1 1 33 33 ARG HD2 H 1 3.191 0.030 . 2 . . . . 33 ARG HD2 . 10182 1 297 . 1 1 33 33 ARG HG2 H 1 1.661 0.030 . 2 . . . . 33 ARG HG2 . 10182 1 298 . 1 1 34 34 ILE N N 15 115.478 0.300 . 1 . . . . 34 ILE N . 10182 1 299 . 1 1 34 34 ILE H H 1 7.677 0.030 . 1 . . . . 34 ILE H . 10182 1 300 . 1 1 34 34 ILE CA C 13 63.060 0.300 . 1 . . . . 34 ILE CA . 10182 1 301 . 1 1 34 34 ILE HA H 1 3.947 0.030 . 1 . . . . 34 ILE HA . 10182 1 302 . 1 1 34 34 ILE CB C 13 37.660 0.300 . 1 . . . . 34 ILE CB . 10182 1 303 . 1 1 34 34 ILE HB H 1 1.646 0.030 . 1 . . . . 34 ILE HB . 10182 1 304 . 1 1 34 34 ILE CG1 C 13 26.303 0.300 . 1 . . . . 34 ILE CG1 . 10182 1 305 . 1 1 34 34 ILE HG13 H 1 0.590 0.030 . 2 . . . . 34 ILE HG13 . 10182 1 306 . 1 1 34 34 ILE CG2 C 13 16.338 0.300 . 1 . . . . 34 ILE CG2 . 10182 1 307 . 1 1 34 34 ILE HG21 H 1 0.547 0.030 . 1 . . . . 34 ILE HG2 . 10182 1 308 . 1 1 34 34 ILE HG22 H 1 0.547 0.030 . 1 . . . . 34 ILE HG2 . 10182 1 309 . 1 1 34 34 ILE HG23 H 1 0.547 0.030 . 1 . . . . 34 ILE HG2 . 10182 1 310 . 1 1 34 34 ILE CD1 C 13 14.441 0.300 . 1 . . . . 34 ILE CD1 . 10182 1 311 . 1 1 34 34 ILE HD11 H 1 0.668 0.030 . 1 . . . . 34 ILE HD1 . 10182 1 312 . 1 1 34 34 ILE HD12 H 1 0.668 0.030 . 1 . . . . 34 ILE HD1 . 10182 1 313 . 1 1 34 34 ILE HD13 H 1 0.668 0.030 . 1 . . . . 34 ILE HD1 . 10182 1 314 . 1 1 34 34 ILE C C 13 177.059 0.300 . 1 . . . . 34 ILE C . 10182 1 315 . 1 1 34 34 ILE HG12 H 1 0.870 0.030 . 2 . . . . 34 ILE HG12 . 10182 1 316 . 1 1 35 35 HIS N N 15 117.439 0.300 . 1 . . . . 35 HIS N . 10182 1 317 . 1 1 35 35 HIS H H 1 7.180 0.030 . 1 . . . . 35 HIS H . 10182 1 318 . 1 1 35 35 HIS CA C 13 54.820 0.300 . 1 . . . . 35 HIS CA . 10182 1 319 . 1 1 35 35 HIS HA H 1 4.666 0.030 . 1 . . . . 35 HIS HA . 10182 1 320 . 1 1 35 35 HIS CB C 13 28.012 0.300 . 1 . . . . 35 HIS CB . 10182 1 321 . 1 1 35 35 HIS HB3 H 1 2.356 0.030 . 2 . . . . 35 HIS HB3 . 10182 1 322 . 1 1 35 35 HIS CD2 C 13 128.363 0.300 . 1 . . . . 35 HIS CD2 . 10182 1 323 . 1 1 35 35 HIS HD2 H 1 6.618 0.030 . 1 . . . . 35 HIS HD2 . 10182 1 324 . 1 1 35 35 HIS CE1 C 13 140.250 0.300 . 1 . . . . 35 HIS CE1 . 10182 1 325 . 1 1 35 35 HIS HE1 H 1 8.112 0.030 . 1 . . . . 35 HIS HE1 . 10182 1 326 . 1 1 35 35 HIS C C 13 175.578 0.300 . 1 . . . . 35 HIS C . 10182 1 327 . 1 1 35 35 HIS HB2 H 1 2.585 0.030 . 2 . . . . 35 HIS HB2 . 10182 1 328 . 1 1 36 36 THR N N 15 111.209 0.300 . 1 . . . . 36 THR N . 10182 1 329 . 1 1 36 36 THR H H 1 7.590 0.030 . 1 . . . . 36 THR H . 10182 1 330 . 1 1 36 36 THR CA C 13 62.494 0.300 . 1 . . . . 36 THR CA . 10182 1 331 . 1 1 36 36 THR HA H 1 4.246 0.030 . 1 . . . . 36 THR HA . 10182 1 332 . 1 1 36 36 THR CB C 13 69.710 0.300 . 1 . . . . 36 THR CB . 10182 1 333 . 1 1 36 36 THR HB H 1 4.287 0.030 . 1 . . . . 36 THR HB . 10182 1 334 . 1 1 36 36 THR CG2 C 13 21.323 0.300 . 1 . . . . 36 THR CG2 . 10182 1 335 . 1 1 36 36 THR HG21 H 1 1.174 0.030 . 1 . . . . 36 THR HG2 . 10182 1 336 . 1 1 36 36 THR HG22 H 1 1.174 0.030 . 1 . . . . 36 THR HG2 . 10182 1 337 . 1 1 36 36 THR HG23 H 1 1.174 0.030 . 1 . . . . 36 THR HG2 . 10182 1 338 . 1 1 36 36 THR C C 13 175.421 0.300 . 1 . . . . 36 THR C . 10182 1 339 . 1 1 37 37 GLY N N 15 110.931 0.300 . 1 . . . . 37 GLY N . 10182 1 340 . 1 1 37 37 GLY H H 1 8.251 0.030 . 1 . . . . 37 GLY H . 10182 1 341 . 1 1 37 37 GLY CA C 13 45.328 0.300 . 1 . . . . 37 GLY CA . 10182 1 342 . 1 1 37 37 GLY HA3 H 1 4.007 0.030 . 2 . . . . 37 GLY HA3 . 10182 1 343 . 1 1 37 37 GLY HA2 H 1 3.933 0.030 . 2 . . . . 37 GLY HA2 . 10182 1 344 . 1 1 38 38 GLU N N 15 120.496 0.300 . 1 . . . . 38 GLU N . 10182 1 345 . 1 1 38 38 GLU H H 1 8.060 0.030 . 1 . . . . 38 GLU H . 10182 1 346 . 1 1 38 38 GLU CA C 13 56.420 0.300 . 1 . . . . 38 GLU CA . 10182 1 347 . 1 1 38 38 GLU HA H 1 4.251 0.030 . 1 . . . . 38 GLU HA . 10182 1 348 . 1 1 38 38 GLU CB C 13 30.580 0.300 . 1 . . . . 38 GLU CB . 10182 1 349 . 1 1 38 38 GLU HB3 H 1 1.992 0.030 . 2 . . . . 38 GLU HB3 . 10182 1 350 . 1 1 38 38 GLU CG C 13 36.324 0.300 . 1 . . . . 38 GLU CG . 10182 1 351 . 1 1 38 38 GLU HG3 H 1 2.219 0.030 . 1 . . . . 38 GLU HG3 . 10182 1 352 . 1 1 38 38 GLU HB2 H 1 1.884 0.030 . 2 . . . . 38 GLU HB2 . 10182 1 353 . 1 1 38 38 GLU HG2 H 1 2.219 0.030 . 1 . . . . 38 GLU HG2 . 10182 1 354 . 1 1 39 39 LYS N N 15 123.793 0.300 . 1 . . . . 39 LYS N . 10182 1 355 . 1 1 39 39 LYS H H 1 8.427 0.030 . 1 . . . . 39 LYS H . 10182 1 356 . 1 1 39 39 LYS CA C 13 54.155 0.300 . 1 . . . . 39 LYS CA . 10182 1 357 . 1 1 39 39 LYS HA H 1 4.574 0.030 . 1 . . . . 39 LYS HA . 10182 1 358 . 1 1 39 39 LYS CB C 13 32.536 0.300 . 1 . . . . 39 LYS CB . 10182 1 359 . 1 1 39 39 LYS HB3 H 1 1.703 0.030 . 2 . . . . 39 LYS HB3 . 10182 1 360 . 1 1 39 39 LYS CG C 13 24.508 0.300 . 1 . . . . 39 LYS CG . 10182 1 361 . 1 1 39 39 LYS HG3 H 1 1.430 0.030 . 1 . . . . 39 LYS HG3 . 10182 1 362 . 1 1 39 39 LYS CD C 13 29.171 0.300 . 1 . . . . 39 LYS CD . 10182 1 363 . 1 1 39 39 LYS HD3 H 1 1.669 0.030 . 1 . . . . 39 LYS HD3 . 10182 1 364 . 1 1 39 39 LYS CE C 13 42.182 0.300 . 1 . . . . 39 LYS CE . 10182 1 365 . 1 1 39 39 LYS HE3 H 1 2.979 0.030 . 1 . . . . 39 LYS HE3 . 10182 1 366 . 1 1 39 39 LYS HB2 H 1 1.794 0.030 . 2 . . . . 39 LYS HB2 . 10182 1 367 . 1 1 39 39 LYS HD2 H 1 1.669 0.030 . 1 . . . . 39 LYS HD2 . 10182 1 368 . 1 1 39 39 LYS HE2 H 1 2.979 0.030 . 1 . . . . 39 LYS HE2 . 10182 1 369 . 1 1 39 39 LYS HG2 H 1 1.430 0.030 . 1 . . . . 39 LYS HG2 . 10182 1 370 . 1 1 40 40 PRO CA C 13 63.229 0.300 . 1 . . . . 40 PRO CA . 10182 1 371 . 1 1 40 40 PRO HA H 1 4.432 0.030 . 1 . . . . 40 PRO HA . 10182 1 372 . 1 1 40 40 PRO CB C 13 32.117 0.300 . 1 . . . . 40 PRO CB . 10182 1 373 . 1 1 40 40 PRO HB3 H 1 1.919 0.030 . 2 . . . . 40 PRO HB3 . 10182 1 374 . 1 1 40 40 PRO CG C 13 27.392 0.300 . 1 . . . . 40 PRO CG . 10182 1 375 . 1 1 40 40 PRO HG3 H 1 2.023 0.030 . 2 . . . . 40 PRO HG3 . 10182 1 376 . 1 1 40 40 PRO CD C 13 50.668 0.300 . 1 . . . . 40 PRO CD . 10182 1 377 . 1 1 40 40 PRO HD3 H 1 3.795 0.030 . 2 . . . . 40 PRO HD3 . 10182 1 378 . 1 1 40 40 PRO HB2 H 1 2.261 0.030 . 2 . . . . 40 PRO HB2 . 10182 1 379 . 1 1 40 40 PRO HD2 H 1 3.618 0.030 . 2 . . . . 40 PRO HD2 . 10182 1 380 . 1 1 40 40 PRO HG2 H 1 1.969 0.030 . 2 . . . . 40 PRO HG2 . 10182 1 381 . 1 1 41 41 SER N N 15 116.420 0.300 . 1 . . . . 41 SER N . 10182 1 382 . 1 1 41 41 SER H H 1 8.435 0.030 . 1 . . . . 41 SER H . 10182 1 383 . 1 1 43 43 PRO CA C 13 63.289 0.300 . 1 . . . . 43 PRO CA . 10182 1 384 . 1 1 43 43 PRO HA H 1 4.477 0.030 . 1 . . . . 43 PRO HA . 10182 1 385 . 1 1 43 43 PRO CB C 13 32.212 0.300 . 1 . . . . 43 PRO CB . 10182 1 386 . 1 1 43 43 PRO HB3 H 1 2.294 0.030 . 2 . . . . 43 PRO HB3 . 10182 1 387 . 1 1 43 43 PRO CG C 13 27.170 0.300 . 1 . . . . 43 PRO CG . 10182 1 388 . 1 1 43 43 PRO HG3 H 1 2.014 0.030 . 1 . . . . 43 PRO HG3 . 10182 1 389 . 1 1 43 43 PRO CD C 13 49.798 0.300 . 1 . . . . 43 PRO CD . 10182 1 390 . 1 1 43 43 PRO HD3 H 1 3.622 0.030 . 1 . . . . 43 PRO HD3 . 10182 1 391 . 1 1 43 43 PRO HB2 H 1 1.983 0.030 . 2 . . . . 43 PRO HB2 . 10182 1 392 . 1 1 43 43 PRO HD2 H 1 3.622 0.030 . 1 . . . . 43 PRO HD2 . 10182 1 393 . 1 1 43 43 PRO HG2 H 1 2.014 0.030 . 1 . . . . 43 PRO HG2 . 10182 1 394 . 1 1 45 45 SER CA C 13 58.417 0.300 . 1 . . . . 45 SER CA . 10182 1 395 . 1 1 45 45 SER HA H 1 4.517 0.030 . 1 . . . . 45 SER HA . 10182 1 396 . 1 1 45 45 SER CB C 13 63.947 0.300 . 1 . . . . 45 SER CB . 10182 1 397 . 1 1 45 45 SER C C 13 173.927 0.300 . 1 . . . . 45 SER C . 10182 1 398 . 1 1 45 45 SER HB2 H 1 3.887 0.030 . 2 . . . . 45 SER HB2 . 10182 1 399 . 1 1 46 46 GLY N N 15 116.861 0.300 . 1 . . . . 46 GLY N . 10182 1 400 . 1 1 46 46 GLY H H 1 8.041 0.030 . 1 . . . . 46 GLY H . 10182 1 401 . 1 1 46 46 GLY CA C 13 46.188 0.300 . 1 . . . . 46 GLY CA . 10182 1 402 . 1 1 46 46 GLY C C 13 179.001 0.300 . 1 . . . . 46 GLY C . 10182 1 stop_ save_