################################### # 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 11171 _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 11171 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11171 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 $XWINNMR . . 11171 1 2 $NMRPipe . . 11171 1 3 $NMRVIEW . . 11171 1 4 $Kujira . . 11171 1 5 $CYANA . . 11171 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 8 8 THR HA H 1 4.328 0.030 . 1 . . . . 8 THR HA . 11171 1 2 . 1 1 8 8 THR HB H 1 4.257 0.030 . 1 . . . . 8 THR HB . 11171 1 3 . 1 1 8 8 THR HG21 H 1 1.153 0.030 . 1 . . . . 8 THR HG2 . 11171 1 4 . 1 1 8 8 THR HG22 H 1 1.153 0.030 . 1 . . . . 8 THR HG2 . 11171 1 5 . 1 1 8 8 THR HG23 H 1 1.153 0.030 . 1 . . . . 8 THR HG2 . 11171 1 6 . 1 1 8 8 THR CA C 13 61.882 0.300 . 1 . . . . 8 THR CA . 11171 1 7 . 1 1 8 8 THR CB C 13 69.726 0.300 . 1 . . . . 8 THR CB . 11171 1 8 . 1 1 8 8 THR CG2 C 13 21.487 0.300 . 1 . . . . 8 THR CG2 . 11171 1 9 . 1 1 9 9 GLY HA2 H 1 3.898 0.030 . 1 . . . . 9 GLY HA2 . 11171 1 10 . 1 1 9 9 GLY HA3 H 1 3.898 0.030 . 1 . . . . 9 GLY HA3 . 11171 1 11 . 1 1 9 9 GLY CA C 13 45.174 0.300 . 1 . . . . 9 GLY CA . 11171 1 12 . 1 1 10 10 GLU H H 1 8.180 0.030 . 1 . . . . 10 GLU H . 11171 1 13 . 1 1 10 10 GLU HA H 1 4.151 0.030 . 1 . . . . 10 GLU HA . 11171 1 14 . 1 1 10 10 GLU HB2 H 1 1.933 0.030 . 2 . . . . 10 GLU HB2 . 11171 1 15 . 1 1 10 10 GLU HB3 H 1 1.865 0.030 . 2 . . . . 10 GLU HB3 . 11171 1 16 . 1 1 10 10 GLU HG2 H 1 2.210 0.030 . 1 . . . . 10 GLU HG2 . 11171 1 17 . 1 1 10 10 GLU HG3 H 1 2.210 0.030 . 1 . . . . 10 GLU HG3 . 11171 1 18 . 1 1 10 10 GLU C C 13 176.478 0.300 . 1 . . . . 10 GLU C . 11171 1 19 . 1 1 10 10 GLU CA C 13 56.690 0.300 . 1 . . . . 10 GLU CA . 11171 1 20 . 1 1 10 10 GLU CB C 13 30.246 0.300 . 1 . . . . 10 GLU CB . 11171 1 21 . 1 1 10 10 GLU CG C 13 36.213 0.300 . 1 . . . . 10 GLU CG . 11171 1 22 . 1 1 10 10 GLU N N 15 120.432 0.300 . 1 . . . . 10 GLU N . 11171 1 23 . 1 1 11 11 LYS H H 1 8.294 0.030 . 1 . . . . 11 LYS H . 11171 1 24 . 1 1 11 11 LYS HA H 1 4.461 0.030 . 1 . . . . 11 LYS HA . 11171 1 25 . 1 1 11 11 LYS HB2 H 1 1.516 0.030 . 2 . . . . 11 LYS HB2 . 11171 1 26 . 1 1 11 11 LYS HB3 H 1 1.350 0.030 . 2 . . . . 11 LYS HB3 . 11171 1 27 . 1 1 11 11 LYS HD2 H 1 1.427 0.030 . 1 . . . . 11 LYS HD2 . 11171 1 28 . 1 1 11 11 LYS HD3 H 1 1.427 0.030 . 1 . . . . 11 LYS HD3 . 11171 1 29 . 1 1 11 11 LYS HE2 H 1 2.848 0.030 . 1 . . . . 11 LYS HE2 . 11171 1 30 . 1 1 11 11 LYS HE3 H 1 2.848 0.030 . 1 . . . . 11 LYS HE3 . 11171 1 31 . 1 1 11 11 LYS HG2 H 1 1.267 0.030 . 2 . . . . 11 LYS HG2 . 11171 1 32 . 1 1 11 11 LYS HG3 H 1 1.157 0.030 . 2 . . . . 11 LYS HG3 . 11171 1 33 . 1 1 11 11 LYS C C 13 176.113 0.300 . 1 . . . . 11 LYS C . 11171 1 34 . 1 1 11 11 LYS CA C 13 53.895 0.300 . 1 . . . . 11 LYS CA . 11171 1 35 . 1 1 11 11 LYS CB C 13 33.130 0.300 . 1 . . . . 11 LYS CB . 11171 1 36 . 1 1 11 11 LYS CD C 13 29.510 0.300 . 1 . . . . 11 LYS CD . 11171 1 37 . 1 1 11 11 LYS CE C 13 42.000 0.300 . 1 . . . . 11 LYS CE . 11171 1 38 . 1 1 11 11 LYS CG C 13 24.846 0.300 . 1 . . . . 11 LYS CG . 11171 1 39 . 1 1 11 11 LYS N N 15 122.148 0.300 . 1 . . . . 11 LYS N . 11171 1 40 . 1 1 12 12 PRO HA H 1 4.198 0.030 . 1 . . . . 12 PRO HA . 11171 1 41 . 1 1 12 12 PRO HB2 H 1 1.097 0.030 . 2 . . . . 12 PRO HB2 . 11171 1 42 . 1 1 12 12 PRO HB3 H 1 1.976 0.030 . 2 . . . . 12 PRO HB3 . 11171 1 43 . 1 1 12 12 PRO HD2 H 1 3.625 0.030 . 1 . . . . 12 PRO HD2 . 11171 1 44 . 1 1 12 12 PRO HD3 H 1 3.625 0.030 . 1 . . . . 12 PRO HD3 . 11171 1 45 . 1 1 12 12 PRO HG2 H 1 1.534 0.030 . 2 . . . . 12 PRO HG2 . 11171 1 46 . 1 1 12 12 PRO HG3 H 1 1.750 0.030 . 2 . . . . 12 PRO HG3 . 11171 1 47 . 1 1 12 12 PRO C C 13 176.560 0.300 . 1 . . . . 12 PRO C . 11171 1 48 . 1 1 12 12 PRO CA C 13 63.536 0.300 . 1 . . . . 12 PRO CA . 11171 1 49 . 1 1 12 12 PRO CB C 13 32.262 0.300 . 1 . . . . 12 PRO CB . 11171 1 50 . 1 1 12 12 PRO CD C 13 50.352 0.300 . 1 . . . . 12 PRO CD . 11171 1 51 . 1 1 12 12 PRO CG C 13 26.606 0.300 . 1 . . . . 12 PRO CG . 11171 1 52 . 1 1 13 13 TYR H H 1 7.711 0.030 . 1 . . . . 13 TYR H . 11171 1 53 . 1 1 13 13 TYR HA H 1 4.624 0.030 . 1 . . . . 13 TYR HA . 11171 1 54 . 1 1 13 13 TYR HB2 H 1 2.929 0.030 . 2 . . . . 13 TYR HB2 . 11171 1 55 . 1 1 13 13 TYR HB3 H 1 2.793 0.030 . 2 . . . . 13 TYR HB3 . 11171 1 56 . 1 1 13 13 TYR HD1 H 1 6.973 0.030 . 1 . . . . 13 TYR HD1 . 11171 1 57 . 1 1 13 13 TYR HD2 H 1 6.973 0.030 . 1 . . . . 13 TYR HD2 . 11171 1 58 . 1 1 13 13 TYR HE1 H 1 6.867 0.030 . 1 . . . . 13 TYR HE1 . 11171 1 59 . 1 1 13 13 TYR HE2 H 1 6.867 0.030 . 1 . . . . 13 TYR HE2 . 11171 1 60 . 1 1 13 13 TYR C C 13 174.525 0.300 . 1 . . . . 13 TYR C . 11171 1 61 . 1 1 13 13 TYR CA C 13 57.598 0.300 . 1 . . . . 13 TYR CA . 11171 1 62 . 1 1 13 13 TYR CB C 13 38.446 0.300 . 1 . . . . 13 TYR CB . 11171 1 63 . 1 1 13 13 TYR CD1 C 13 133.309 0.300 . 1 . . . . 13 TYR CD1 . 11171 1 64 . 1 1 13 13 TYR CD2 C 13 133.309 0.300 . 1 . . . . 13 TYR CD2 . 11171 1 65 . 1 1 13 13 TYR CE1 C 13 118.443 0.300 . 1 . . . . 13 TYR CE1 . 11171 1 66 . 1 1 13 13 TYR CE2 C 13 118.443 0.300 . 1 . . . . 13 TYR CE2 . 11171 1 67 . 1 1 13 13 TYR N N 15 118.191 0.300 . 1 . . . . 13 TYR N . 11171 1 68 . 1 1 14 14 LYS H H 1 8.607 0.030 . 1 . . . . 14 LYS H . 11171 1 69 . 1 1 14 14 LYS HA H 1 4.936 0.030 . 1 . . . . 14 LYS HA . 11171 1 70 . 1 1 14 14 LYS HB2 H 1 1.605 0.030 . 1 . . . . 14 LYS HB2 . 11171 1 71 . 1 1 14 14 LYS HB3 H 1 1.605 0.030 . 1 . . . . 14 LYS HB3 . 11171 1 72 . 1 1 14 14 LYS HD2 H 1 1.604 0.030 . 2 . . . . 14 LYS HD2 . 11171 1 73 . 1 1 14 14 LYS HD3 H 1 1.539 0.030 . 2 . . . . 14 LYS HD3 . 11171 1 74 . 1 1 14 14 LYS HE2 H 1 2.887 0.030 . 2 . . . . 14 LYS HE2 . 11171 1 75 . 1 1 14 14 LYS HE3 H 1 2.933 0.030 . 2 . . . . 14 LYS HE3 . 11171 1 76 . 1 1 14 14 LYS HG2 H 1 1.160 0.030 . 2 . . . . 14 LYS HG2 . 11171 1 77 . 1 1 14 14 LYS HG3 H 1 1.201 0.030 . 2 . . . . 14 LYS HG3 . 11171 1 78 . 1 1 14 14 LYS C C 13 175.378 0.300 . 1 . . . . 14 LYS C . 11171 1 79 . 1 1 14 14 LYS CA C 13 55.192 0.300 . 1 . . . . 14 LYS CA . 11171 1 80 . 1 1 14 14 LYS CB C 13 35.204 0.300 . 1 . . . . 14 LYS CB . 11171 1 81 . 1 1 14 14 LYS CD C 13 29.328 0.300 . 1 . . . . 14 LYS CD . 11171 1 82 . 1 1 14 14 LYS CE C 13 42.038 0.300 . 1 . . . . 14 LYS CE . 11171 1 83 . 1 1 14 14 LYS CG C 13 24.846 0.300 . 1 . . . . 14 LYS CG . 11171 1 84 . 1 1 14 14 LYS N N 15 124.787 0.300 . 1 . . . . 14 LYS N . 11171 1 85 . 1 1 15 15 CYS H H 1 9.259 0.030 . 1 . . . . 15 CYS H . 11171 1 86 . 1 1 15 15 CYS HA H 1 4.511 0.030 . 1 . . . . 15 CYS HA . 11171 1 87 . 1 1 15 15 CYS HB2 H 1 3.414 0.030 . 2 . . . . 15 CYS HB2 . 11171 1 88 . 1 1 15 15 CYS HB3 H 1 2.875 0.030 . 2 . . . . 15 CYS HB3 . 11171 1 89 . 1 1 15 15 CYS C C 13 177.614 0.300 . 1 . . . . 15 CYS C . 11171 1 90 . 1 1 15 15 CYS CA C 13 59.703 0.300 . 1 . . . . 15 CYS CA . 11171 1 91 . 1 1 15 15 CYS CB C 13 29.836 0.300 . 1 . . . . 15 CYS CB . 11171 1 92 . 1 1 15 15 CYS N N 15 127.128 0.300 . 1 . . . . 15 CYS N . 11171 1 93 . 1 1 16 16 SER HA H 1 4.237 0.030 . 1 . . . . 16 SER HA . 11171 1 94 . 1 1 16 16 SER HB2 H 1 4.006 0.030 . 2 . . . . 16 SER HB2 . 11171 1 95 . 1 1 16 16 SER HB3 H 1 3.947 0.030 . 2 . . . . 16 SER HB3 . 11171 1 96 . 1 1 16 16 SER C C 13 174.393 0.300 . 1 . . . . 16 SER C . 11171 1 97 . 1 1 16 16 SER CA C 13 61.008 0.300 . 1 . . . . 16 SER CA . 11171 1 98 . 1 1 16 16 SER CB C 13 63.066 0.300 . 1 . . . . 16 SER CB . 11171 1 99 . 1 1 17 17 ASP H H 1 8.733 0.030 . 1 . . . . 17 ASP H . 11171 1 100 . 1 1 17 17 ASP HA H 1 4.545 0.030 . 1 . . . . 17 ASP HA . 11171 1 101 . 1 1 17 17 ASP HB2 H 1 1.939 0.030 . 2 . . . . 17 ASP HB2 . 11171 1 102 . 1 1 17 17 ASP HB3 H 1 1.842 0.030 . 2 . . . . 17 ASP HB3 . 11171 1 103 . 1 1 17 17 ASP C C 13 176.831 0.300 . 1 . . . . 17 ASP C . 11171 1 104 . 1 1 17 17 ASP CA C 13 56.892 0.300 . 1 . . . . 17 ASP CA . 11171 1 105 . 1 1 17 17 ASP CB C 13 41.532 0.300 . 1 . . . . 17 ASP CB . 11171 1 106 . 1 1 17 17 ASP N N 15 123.166 0.300 . 1 . . . . 17 ASP N . 11171 1 107 . 1 1 18 18 CYS H H 1 7.939 0.030 . 1 . . . . 18 CYS H . 11171 1 108 . 1 1 18 18 CYS HA H 1 5.114 0.030 . 1 . . . . 18 CYS HA . 11171 1 109 . 1 1 18 18 CYS HB2 H 1 2.864 0.030 . 2 . . . . 18 CYS HB2 . 11171 1 110 . 1 1 18 18 CYS HB3 H 1 3.376 0.030 . 2 . . . . 18 CYS HB3 . 11171 1 111 . 1 1 18 18 CYS C C 13 176.196 0.300 . 1 . . . . 18 CYS C . 11171 1 112 . 1 1 18 18 CYS CA C 13 58.632 0.300 . 1 . . . . 18 CYS CA . 11171 1 113 . 1 1 18 18 CYS CB C 13 32.302 0.300 . 1 . . . . 18 CYS CB . 11171 1 114 . 1 1 18 18 CYS N N 15 115.052 0.300 . 1 . . . . 18 CYS N . 11171 1 115 . 1 1 19 19 GLY H H 1 8.166 0.030 . 1 . . . . 19 GLY H . 11171 1 116 . 1 1 19 19 GLY HA2 H 1 3.776 0.030 . 2 . . . . 19 GLY HA2 . 11171 1 117 . 1 1 19 19 GLY HA3 H 1 4.236 0.030 . 2 . . . . 19 GLY HA3 . 11171 1 118 . 1 1 19 19 GLY C C 13 173.706 0.300 . 1 . . . . 19 GLY C . 11171 1 119 . 1 1 19 19 GLY CA C 13 46.179 0.300 . 1 . . . . 19 GLY CA . 11171 1 120 . 1 1 19 19 GLY N N 15 113.008 0.300 . 1 . . . . 19 GLY N . 11171 1 121 . 1 1 20 20 LYS H H 1 8.064 0.030 . 1 . . . . 20 LYS H . 11171 1 122 . 1 1 20 20 LYS HA H 1 3.919 0.030 . 1 . . . . 20 LYS HA . 11171 1 123 . 1 1 20 20 LYS HB2 H 1 1.223 0.030 . 2 . . . . 20 LYS HB2 . 11171 1 124 . 1 1 20 20 LYS HB3 H 1 1.401 0.030 . 2 . . . . 20 LYS HB3 . 11171 1 125 . 1 1 20 20 LYS HD2 H 1 1.399 0.030 . 2 . . . . 20 LYS HD2 . 11171 1 126 . 1 1 20 20 LYS HD3 H 1 1.467 0.030 . 2 . . . . 20 LYS HD3 . 11171 1 127 . 1 1 20 20 LYS HE2 H 1 2.933 0.030 . 2 . . . . 20 LYS HE2 . 11171 1 128 . 1 1 20 20 LYS HE3 H 1 2.855 0.030 . 2 . . . . 20 LYS HE3 . 11171 1 129 . 1 1 20 20 LYS HG2 H 1 1.407 0.030 . 2 . . . . 20 LYS HG2 . 11171 1 130 . 1 1 20 20 LYS HG3 H 1 1.081 0.030 . 2 . . . . 20 LYS HG3 . 11171 1 131 . 1 1 20 20 LYS C C 13 173.760 0.300 . 1 . . . . 20 LYS C . 11171 1 132 . 1 1 20 20 LYS CA C 13 58.422 0.300 . 1 . . . . 20 LYS CA . 11171 1 133 . 1 1 20 20 LYS CB C 13 33.590 0.300 . 1 . . . . 20 LYS CB . 11171 1 134 . 1 1 20 20 LYS CD C 13 29.306 0.300 . 1 . . . . 20 LYS CD . 11171 1 135 . 1 1 20 20 LYS CE C 13 42.188 0.300 . 1 . . . . 20 LYS CE . 11171 1 136 . 1 1 20 20 LYS CG C 13 26.237 0.300 . 1 . . . . 20 LYS CG . 11171 1 137 . 1 1 20 20 LYS N N 15 123.467 0.300 . 1 . . . . 20 LYS N . 11171 1 138 . 1 1 21 21 ALA H H 1 7.795 0.030 . 1 . . . . 21 ALA H . 11171 1 139 . 1 1 21 21 ALA HA H 1 5.184 0.030 . 1 . . . . 21 ALA HA . 11171 1 140 . 1 1 21 21 ALA HB1 H 1 1.171 0.030 . 1 . . . . 21 ALA HB . 11171 1 141 . 1 1 21 21 ALA HB2 H 1 1.171 0.030 . 1 . . . . 21 ALA HB . 11171 1 142 . 1 1 21 21 ALA HB3 H 1 1.171 0.030 . 1 . . . . 21 ALA HB . 11171 1 143 . 1 1 21 21 ALA C C 13 176.098 0.300 . 1 . . . . 21 ALA C . 11171 1 144 . 1 1 21 21 ALA CA C 13 50.432 0.300 . 1 . . . . 21 ALA CA . 11171 1 145 . 1 1 21 21 ALA CB C 13 22.514 0.300 . 1 . . . . 21 ALA CB . 11171 1 146 . 1 1 21 21 ALA N N 15 124.254 0.300 . 1 . . . . 21 ALA N . 11171 1 147 . 1 1 22 22 PHE H H 1 8.720 0.030 . 1 . . . . 22 PHE H . 11171 1 148 . 1 1 22 22 PHE HA H 1 4.619 0.030 . 1 . . . . 22 PHE HA . 11171 1 149 . 1 1 22 22 PHE HB2 H 1 2.626 0.030 . 2 . . . . 22 PHE HB2 . 11171 1 150 . 1 1 22 22 PHE HB3 H 1 3.543 0.030 . 2 . . . . 22 PHE HB3 . 11171 1 151 . 1 1 22 22 PHE HD1 H 1 7.230 0.030 . 1 . . . . 22 PHE HD1 . 11171 1 152 . 1 1 22 22 PHE HD2 H 1 7.230 0.030 . 1 . . . . 22 PHE HD2 . 11171 1 153 . 1 1 22 22 PHE HE1 H 1 6.806 0.030 . 1 . . . . 22 PHE HE1 . 11171 1 154 . 1 1 22 22 PHE HE2 H 1 6.806 0.030 . 1 . . . . 22 PHE HE2 . 11171 1 155 . 1 1 22 22 PHE HZ H 1 6.286 0.030 . 1 . . . . 22 PHE HZ . 11171 1 156 . 1 1 22 22 PHE C C 13 175.403 0.300 . 1 . . . . 22 PHE C . 11171 1 157 . 1 1 22 22 PHE CA C 13 57.821 0.300 . 1 . . . . 22 PHE CA . 11171 1 158 . 1 1 22 22 PHE CB C 13 43.282 0.300 . 1 . . . . 22 PHE CB . 11171 1 159 . 1 1 22 22 PHE CD1 C 13 131.922 0.300 . 1 . . . . 22 PHE CD1 . 11171 1 160 . 1 1 22 22 PHE CD2 C 13 131.922 0.300 . 1 . . . . 22 PHE CD2 . 11171 1 161 . 1 1 22 22 PHE CE1 C 13 130.851 0.300 . 1 . . . . 22 PHE CE1 . 11171 1 162 . 1 1 22 22 PHE CE2 C 13 130.851 0.300 . 1 . . . . 22 PHE CE2 . 11171 1 163 . 1 1 22 22 PHE CZ C 13 128.790 0.300 . 1 . . . . 22 PHE CZ . 11171 1 164 . 1 1 22 22 PHE N N 15 117.270 0.300 . 1 . . . . 22 PHE N . 11171 1 165 . 1 1 23 23 THR H H 1 8.822 0.030 . 1 . . . . 23 THR H . 11171 1 166 . 1 1 23 23 THR HA H 1 4.339 0.030 . 1 . . . . 23 THR HA . 11171 1 167 . 1 1 23 23 THR HB H 1 4.329 0.030 . 1 . . . . 23 THR HB . 11171 1 168 . 1 1 23 23 THR HG21 H 1 1.374 0.030 . 1 . . . . 23 THR HG2 . 11171 1 169 . 1 1 23 23 THR HG22 H 1 1.374 0.030 . 1 . . . . 23 THR HG2 . 11171 1 170 . 1 1 23 23 THR HG23 H 1 1.374 0.030 . 1 . . . . 23 THR HG2 . 11171 1 171 . 1 1 23 23 THR C C 13 174.468 0.300 . 1 . . . . 23 THR C . 11171 1 172 . 1 1 23 23 THR CA C 13 64.872 0.300 . 1 . . . . 23 THR CA . 11171 1 173 . 1 1 23 23 THR CB C 13 69.637 0.300 . 1 . . . . 23 THR CB . 11171 1 174 . 1 1 23 23 THR CG2 C 13 22.688 0.300 . 1 . . . . 23 THR CG2 . 11171 1 175 . 1 1 23 23 THR N N 15 115.322 0.300 . 1 . . . . 23 THR N . 11171 1 176 . 1 1 24 24 ARG H H 1 7.982 0.030 . 1 . . . . 24 ARG H . 11171 1 177 . 1 1 24 24 ARG HA H 1 4.853 0.030 . 1 . . . . 24 ARG HA . 11171 1 178 . 1 1 24 24 ARG HB2 H 1 1.784 0.030 . 2 . . . . 24 ARG HB2 . 11171 1 179 . 1 1 24 24 ARG HB3 H 1 1.982 0.030 . 2 . . . . 24 ARG HB3 . 11171 1 180 . 1 1 24 24 ARG HD2 H 1 3.249 0.030 . 2 . . . . 24 ARG HD2 . 11171 1 181 . 1 1 24 24 ARG HD3 H 1 3.190 0.030 . 2 . . . . 24 ARG HD3 . 11171 1 182 . 1 1 24 24 ARG HG2 H 1 1.709 0.030 . 1 . . . . 24 ARG HG2 . 11171 1 183 . 1 1 24 24 ARG HG3 H 1 1.709 0.030 . 1 . . . . 24 ARG HG3 . 11171 1 184 . 1 1 24 24 ARG C C 13 176.383 0.300 . 1 . . . . 24 ARG C . 11171 1 185 . 1 1 24 24 ARG CA C 13 54.108 0.300 . 1 . . . . 24 ARG CA . 11171 1 186 . 1 1 24 24 ARG CB C 13 33.453 0.300 . 1 . . . . 24 ARG CB . 11171 1 187 . 1 1 24 24 ARG CD C 13 43.326 0.300 . 1 . . . . 24 ARG CD . 11171 1 188 . 1 1 24 24 ARG CG C 13 27.190 0.300 . 1 . . . . 24 ARG CG . 11171 1 189 . 1 1 24 24 ARG N N 15 117.405 0.300 . 1 . . . . 24 ARG N . 11171 1 190 . 1 1 25 25 LYS H H 1 8.476 0.030 . 1 . . . . 25 LYS H . 11171 1 191 . 1 1 25 25 LYS HA H 1 2.902 0.030 . 1 . . . . 25 LYS HA . 11171 1 192 . 1 1 25 25 LYS HB2 H 1 1.342 0.030 . 2 . . . . 25 LYS HB2 . 11171 1 193 . 1 1 25 25 LYS HB3 H 1 1.093 0.030 . 2 . . . . 25 LYS HB3 . 11171 1 194 . 1 1 25 25 LYS HD2 H 1 0.824 0.030 . 1 . . . . 25 LYS HD2 . 11171 1 195 . 1 1 25 25 LYS HD3 H 1 0.824 0.030 . 1 . . . . 25 LYS HD3 . 11171 1 196 . 1 1 25 25 LYS HE2 H 1 2.880 0.030 . 1 . . . . 25 LYS HE2 . 11171 1 197 . 1 1 25 25 LYS HE3 H 1 2.880 0.030 . 1 . . . . 25 LYS HE3 . 11171 1 198 . 1 1 25 25 LYS HG2 H 1 1.505 0.030 . 1 . . . . 25 LYS HG2 . 11171 1 199 . 1 1 25 25 LYS HG3 H 1 1.505 0.030 . 1 . . . . 25 LYS HG3 . 11171 1 200 . 1 1 25 25 LYS C C 13 178.231 0.300 . 1 . . . . 25 LYS C . 11171 1 201 . 1 1 25 25 LYS CA C 13 59.641 0.300 . 1 . . . . 25 LYS CA . 11171 1 202 . 1 1 25 25 LYS CB C 13 31.626 0.300 . 1 . . . . 25 LYS CB . 11171 1 203 . 1 1 25 25 LYS CD C 13 24.930 0.300 . 1 . . . . 25 LYS CD . 11171 1 204 . 1 1 25 25 LYS CE C 13 41.902 0.300 . 1 . . . . 25 LYS CE . 11171 1 205 . 1 1 25 25 LYS CG C 13 29.276 0.300 . 1 . . . . 25 LYS CG . 11171 1 206 . 1 1 25 25 LYS N N 15 126.598 0.300 . 1 . . . . 25 LYS N . 11171 1 207 . 1 1 26 26 SER HA H 1 4.012 0.030 . 1 . . . . 26 SER HA . 11171 1 208 . 1 1 26 26 SER HB2 H 1 3.838 0.030 . 2 . . . . 26 SER HB2 . 11171 1 209 . 1 1 26 26 SER HB3 H 1 3.798 0.030 . 2 . . . . 26 SER HB3 . 11171 1 210 . 1 1 26 26 SER C C 13 176.846 0.300 . 1 . . . . 26 SER C . 11171 1 211 . 1 1 26 26 SER CA C 13 60.553 0.300 . 1 . . . . 26 SER CA . 11171 1 212 . 1 1 26 26 SER CB C 13 61.702 0.300 . 1 . . . . 26 SER CB . 11171 1 213 . 1 1 27 27 GLY H H 1 6.950 0.030 . 1 . . . . 27 GLY H . 11171 1 214 . 1 1 27 27 GLY HA2 H 1 3.724 0.030 . 2 . . . . 27 GLY HA2 . 11171 1 215 . 1 1 27 27 GLY HA3 H 1 3.992 0.030 . 2 . . . . 27 GLY HA3 . 11171 1 216 . 1 1 27 27 GLY C C 13 176.057 0.300 . 1 . . . . 27 GLY C . 11171 1 217 . 1 1 27 27 GLY CA C 13 46.562 0.300 . 1 . . . . 27 GLY CA . 11171 1 218 . 1 1 27 27 GLY N N 15 109.129 0.300 . 1 . . . . 27 GLY N . 11171 1 219 . 1 1 28 28 LEU H H 1 6.947 0.030 . 1 . . . . 28 LEU H . 11171 1 220 . 1 1 28 28 LEU HA H 1 3.097 0.030 . 1 . . . . 28 LEU HA . 11171 1 221 . 1 1 28 28 LEU HB2 H 1 1.171 0.030 . 2 . . . . 28 LEU HB2 . 11171 1 222 . 1 1 28 28 LEU HB3 H 1 1.850 0.030 . 2 . . . . 28 LEU HB3 . 11171 1 223 . 1 1 28 28 LEU HD11 H 1 0.970 0.030 . 1 . . . . 28 LEU HD1 . 11171 1 224 . 1 1 28 28 LEU HD12 H 1 0.970 0.030 . 1 . . . . 28 LEU HD1 . 11171 1 225 . 1 1 28 28 LEU HD13 H 1 0.970 0.030 . 1 . . . . 28 LEU HD1 . 11171 1 226 . 1 1 28 28 LEU HD21 H 1 0.941 0.030 . 1 . . . . 28 LEU HD2 . 11171 1 227 . 1 1 28 28 LEU HD22 H 1 0.941 0.030 . 1 . . . . 28 LEU HD2 . 11171 1 228 . 1 1 28 28 LEU HD23 H 1 0.941 0.030 . 1 . . . . 28 LEU HD2 . 11171 1 229 . 1 1 28 28 LEU HG H 1 1.460 0.030 . 1 . . . . 28 LEU HG . 11171 1 230 . 1 1 28 28 LEU C C 13 177.423 0.300 . 1 . . . . 28 LEU C . 11171 1 231 . 1 1 28 28 LEU CA C 13 57.468 0.300 . 1 . . . . 28 LEU CA . 11171 1 232 . 1 1 28 28 LEU CB C 13 40.352 0.300 . 1 . . . . 28 LEU CB . 11171 1 233 . 1 1 28 28 LEU CD1 C 13 22.696 0.300 . 2 . . . . 28 LEU CD1 . 11171 1 234 . 1 1 28 28 LEU CD2 C 13 26.364 0.300 . 2 . . . . 28 LEU CD2 . 11171 1 235 . 1 1 28 28 LEU CG C 13 27.460 0.300 . 1 . . . . 28 LEU CG . 11171 1 236 . 1 1 28 28 LEU N N 15 123.401 0.300 . 1 . . . . 28 LEU N . 11171 1 237 . 1 1 29 29 HIS H H 1 8.249 0.030 . 1 . . . . 29 HIS H . 11171 1 238 . 1 1 29 29 HIS HA H 1 4.358 0.030 . 1 . . . . 29 HIS HA . 11171 1 239 . 1 1 29 29 HIS HB2 H 1 3.066 0.030 . 1 . . . . 29 HIS HB2 . 11171 1 240 . 1 1 29 29 HIS HB3 H 1 3.066 0.030 . 1 . . . . 29 HIS HB3 . 11171 1 241 . 1 1 29 29 HIS HD2 H 1 6.822 0.030 . 1 . . . . 29 HIS HD2 . 11171 1 242 . 1 1 29 29 HIS C C 13 178.461 0.300 . 1 . . . . 29 HIS C . 11171 1 243 . 1 1 29 29 HIS CA C 13 59.182 0.300 . 1 . . . . 29 HIS CA . 11171 1 244 . 1 1 29 29 HIS CB C 13 30.198 0.300 . 1 . . . . 29 HIS CB . 11171 1 245 . 1 1 29 29 HIS CD2 C 13 119.513 0.300 . 1 . . . . 29 HIS CD2 . 11171 1 246 . 1 1 29 29 HIS N N 15 118.865 0.300 . 1 . . . . 29 HIS N . 11171 1 247 . 1 1 30 30 ILE H H 1 7.710 0.030 . 1 . . . . 30 ILE H . 11171 1 248 . 1 1 30 30 ILE HA H 1 3.664 0.030 . 1 . . . . 30 ILE HA . 11171 1 249 . 1 1 30 30 ILE HB H 1 1.754 0.030 . 1 . . . . 30 ILE HB . 11171 1 250 . 1 1 30 30 ILE HD11 H 1 0.798 0.030 . 1 . . . . 30 ILE HD1 . 11171 1 251 . 1 1 30 30 ILE HD12 H 1 0.798 0.030 . 1 . . . . 30 ILE HD1 . 11171 1 252 . 1 1 30 30 ILE HD13 H 1 0.798 0.030 . 1 . . . . 30 ILE HD1 . 11171 1 253 . 1 1 30 30 ILE HG12 H 1 1.652 0.030 . 2 . . . . 30 ILE HG12 . 11171 1 254 . 1 1 30 30 ILE HG13 H 1 1.217 0.030 . 2 . . . . 30 ILE HG13 . 11171 1 255 . 1 1 30 30 ILE HG21 H 1 0.862 0.030 . 1 . . . . 30 ILE HG2 . 11171 1 256 . 1 1 30 30 ILE HG22 H 1 0.862 0.030 . 1 . . . . 30 ILE HG2 . 11171 1 257 . 1 1 30 30 ILE HG23 H 1 0.862 0.030 . 1 . . . . 30 ILE HG2 . 11171 1 258 . 1 1 30 30 ILE C C 13 179.241 0.300 . 1 . . . . 30 ILE C . 11171 1 259 . 1 1 30 30 ILE CA C 13 64.084 0.300 . 1 . . . . 30 ILE CA . 11171 1 260 . 1 1 30 30 ILE CB C 13 37.990 0.300 . 1 . . . . 30 ILE CB . 11171 1 261 . 1 1 30 30 ILE CD1 C 13 12.447 0.300 . 1 . . . . 30 ILE CD1 . 11171 1 262 . 1 1 30 30 ILE CG1 C 13 29.093 0.300 . 1 . . . . 30 ILE CG1 . 11171 1 263 . 1 1 30 30 ILE CG2 C 13 17.122 0.300 . 1 . . . . 30 ILE CG2 . 11171 1 264 . 1 1 30 30 ILE N N 15 118.634 0.300 . 1 . . . . 30 ILE N . 11171 1 265 . 1 1 31 31 HIS H H 1 7.479 0.030 . 1 . . . . 31 HIS H . 11171 1 266 . 1 1 31 31 HIS HA H 1 4.179 0.030 . 1 . . . . 31 HIS HA . 11171 1 267 . 1 1 31 31 HIS HB2 H 1 2.979 0.030 . 2 . . . . 31 HIS HB2 . 11171 1 268 . 1 1 31 31 HIS HB3 H 1 2.874 0.030 . 2 . . . . 31 HIS HB3 . 11171 1 269 . 1 1 31 31 HIS HD2 H 1 6.910 0.030 . 1 . . . . 31 HIS HD2 . 11171 1 270 . 1 1 31 31 HIS HE1 H 1 7.954 0.030 . 1 . . . . 31 HIS HE1 . 11171 1 271 . 1 1 31 31 HIS C C 13 178.127 0.300 . 1 . . . . 31 HIS C . 11171 1 272 . 1 1 31 31 HIS CA C 13 59.399 0.300 . 1 . . . . 31 HIS CA . 11171 1 273 . 1 1 31 31 HIS CB C 13 28.764 0.300 . 1 . . . . 31 HIS CB . 11171 1 274 . 1 1 31 31 HIS CD2 C 13 127.283 0.300 . 1 . . . . 31 HIS CD2 . 11171 1 275 . 1 1 31 31 HIS CE1 C 13 139.730 0.300 . 1 . . . . 31 HIS CE1 . 11171 1 276 . 1 1 31 31 HIS N N 15 120.249 0.300 . 1 . . . . 31 HIS N . 11171 1 277 . 1 1 32 32 GLN H H 1 8.896 0.030 . 1 . . . . 32 GLN H . 11171 1 278 . 1 1 32 32 GLN HA H 1 3.699 0.030 . 1 . . . . 32 GLN HA . 11171 1 279 . 1 1 32 32 GLN HB2 H 1 2.118 0.030 . 2 . . . . 32 GLN HB2 . 11171 1 280 . 1 1 32 32 GLN HB3 H 1 2.314 0.030 . 2 . . . . 32 GLN HB3 . 11171 1 281 . 1 1 32 32 GLN HE21 H 1 7.654 0.030 . 2 . . . . 32 GLN HE21 . 11171 1 282 . 1 1 32 32 GLN HE22 H 1 6.978 0.030 . 2 . . . . 32 GLN HE22 . 11171 1 283 . 1 1 32 32 GLN HG2 H 1 2.754 0.030 . 1 . . . . 32 GLN HG2 . 11171 1 284 . 1 1 32 32 GLN HG3 H 1 2.754 0.030 . 1 . . . . 32 GLN HG3 . 11171 1 285 . 1 1 32 32 GLN C C 13 177.992 0.300 . 1 . . . . 32 GLN C . 11171 1 286 . 1 1 32 32 GLN CA C 13 59.665 0.300 . 1 . . . . 32 GLN CA . 11171 1 287 . 1 1 32 32 GLN CB C 13 28.086 0.300 . 1 . . . . 32 GLN CB . 11171 1 288 . 1 1 32 32 GLN CG C 13 35.442 0.300 . 1 . . . . 32 GLN CG . 11171 1 289 . 1 1 32 32 GLN N N 15 119.754 0.300 . 1 . . . . 32 GLN N . 11171 1 290 . 1 1 32 32 GLN NE2 N 15 112.596 0.300 . 1 . . . . 32 GLN NE2 . 11171 1 291 . 1 1 33 33 GLN H H 1 7.292 0.030 . 1 . . . . 33 GLN H . 11171 1 292 . 1 1 33 33 GLN HA H 1 4.037 0.030 . 1 . . . . 33 GLN HA . 11171 1 293 . 1 1 33 33 GLN HB2 H 1 2.085 0.030 . 2 . . . . 33 GLN HB2 . 11171 1 294 . 1 1 33 33 GLN HB3 H 1 2.041 0.030 . 2 . . . . 33 GLN HB3 . 11171 1 295 . 1 1 33 33 GLN HE21 H 1 7.173 0.030 . 2 . . . . 33 GLN HE21 . 11171 1 296 . 1 1 33 33 GLN HE22 H 1 6.785 0.030 . 2 . . . . 33 GLN HE22 . 11171 1 297 . 1 1 33 33 GLN HG2 H 1 2.451 0.030 . 2 . . . . 33 GLN HG2 . 11171 1 298 . 1 1 33 33 GLN HG3 H 1 2.343 0.030 . 2 . . . . 33 GLN HG3 . 11171 1 299 . 1 1 33 33 GLN C C 13 177.571 0.300 . 1 . . . . 33 GLN C . 11171 1 300 . 1 1 33 33 GLN CA C 13 57.690 0.300 . 1 . . . . 33 GLN CA . 11171 1 301 . 1 1 33 33 GLN CB C 13 27.955 0.300 . 1 . . . . 33 GLN CB . 11171 1 302 . 1 1 33 33 GLN CG C 13 33.702 0.300 . 1 . . . . 33 GLN CG . 11171 1 303 . 1 1 33 33 GLN N N 15 117.356 0.300 . 1 . . . . 33 GLN N . 11171 1 304 . 1 1 33 33 GLN NE2 N 15 111.675 0.300 . 1 . . . . 33 GLN NE2 . 11171 1 305 . 1 1 34 34 SER H H 1 7.774 0.030 . 1 . . . . 34 SER H . 11171 1 306 . 1 1 34 34 SER HA H 1 4.186 0.030 . 1 . . . . 34 SER HA . 11171 1 307 . 1 1 34 34 SER HB2 H 1 3.757 0.030 . 2 . . . . 34 SER HB2 . 11171 1 308 . 1 1 34 34 SER HB3 H 1 3.670 0.030 . 2 . . . . 34 SER HB3 . 11171 1 309 . 1 1 34 34 SER C C 13 174.910 0.300 . 1 . . . . 34 SER C . 11171 1 310 . 1 1 34 34 SER CA C 13 60.285 0.300 . 1 . . . . 34 SER CA . 11171 1 311 . 1 1 34 34 SER CB C 13 63.261 0.300 . 1 . . . . 34 SER CB . 11171 1 312 . 1 1 34 34 SER N N 15 113.787 0.300 . 1 . . . . 34 SER N . 11171 1 313 . 1 1 35 35 HIS H H 1 7.227 0.030 . 1 . . . . 35 HIS H . 11171 1 314 . 1 1 35 35 HIS HA H 1 4.847 0.030 . 1 . . . . 35 HIS HA . 11171 1 315 . 1 1 35 35 HIS HB2 H 1 3.193 0.030 . 2 . . . . 35 HIS HB2 . 11171 1 316 . 1 1 35 35 HIS HB3 H 1 3.134 0.030 . 2 . . . . 35 HIS HB3 . 11171 1 317 . 1 1 35 35 HIS HD2 H 1 6.715 0.030 . 1 . . . . 35 HIS HD2 . 11171 1 318 . 1 1 35 35 HIS HE1 H 1 7.950 0.030 . 1 . . . . 35 HIS HE1 . 11171 1 319 . 1 1 35 35 HIS C C 13 175.558 0.300 . 1 . . . . 35 HIS C . 11171 1 320 . 1 1 35 35 HIS CA C 13 55.599 0.300 . 1 . . . . 35 HIS CA . 11171 1 321 . 1 1 35 35 HIS CB C 13 28.766 0.300 . 1 . . . . 35 HIS CB . 11171 1 322 . 1 1 35 35 HIS CD2 C 13 127.363 0.300 . 1 . . . . 35 HIS CD2 . 11171 1 323 . 1 1 35 35 HIS CE1 C 13 139.730 0.300 . 1 . . . . 35 HIS CE1 . 11171 1 324 . 1 1 35 35 HIS N N 15 119.371 0.300 . 1 . . . . 35 HIS N . 11171 1 325 . 1 1 36 36 THR H H 1 7.762 0.030 . 1 . . . . 36 THR H . 11171 1 326 . 1 1 36 36 THR HA H 1 4.281 0.030 . 1 . . . . 36 THR HA . 11171 1 327 . 1 1 36 36 THR HB H 1 4.258 0.030 . 1 . . . . 36 THR HB . 11171 1 328 . 1 1 36 36 THR HG21 H 1 1.191 0.030 . 1 . . . . 36 THR HG2 . 11171 1 329 . 1 1 36 36 THR HG22 H 1 1.191 0.030 . 1 . . . . 36 THR HG2 . 11171 1 330 . 1 1 36 36 THR HG23 H 1 1.191 0.030 . 1 . . . . 36 THR HG2 . 11171 1 331 . 1 1 36 36 THR C C 13 175.317 0.300 . 1 . . . . 36 THR C . 11171 1 332 . 1 1 36 36 THR CA C 13 62.639 0.300 . 1 . . . . 36 THR CA . 11171 1 333 . 1 1 36 36 THR CB C 13 69.709 0.300 . 1 . . . . 36 THR CB . 11171 1 334 . 1 1 36 36 THR CG2 C 13 21.515 0.300 . 1 . . . . 36 THR CG2 . 11171 1 335 . 1 1 36 36 THR N N 15 112.989 0.300 . 1 . . . . 36 THR N . 11171 1 336 . 1 1 37 37 GLY H H 1 8.373 0.030 . 1 . . . . 37 GLY H . 11171 1 337 . 1 1 37 37 GLY HA2 H 1 3.963 0.030 . 1 . . . . 37 GLY HA2 . 11171 1 338 . 1 1 37 37 GLY HA3 H 1 3.963 0.030 . 1 . . . . 37 GLY HA3 . 11171 1 339 . 1 1 37 37 GLY C C 13 174.207 0.300 . 1 . . . . 37 GLY C . 11171 1 340 . 1 1 37 37 GLY CA C 13 45.355 0.300 . 1 . . . . 37 GLY CA . 11171 1 341 . 1 1 37 37 GLY N N 15 110.889 0.300 . 1 . . . . 37 GLY N . 11171 1 342 . 1 1 38 38 GLU H H 1 8.134 0.030 . 1 . . . . 38 GLU H . 11171 1 343 . 1 1 38 38 GLU HA H 1 4.205 0.030 . 1 . . . . 38 GLU HA . 11171 1 344 . 1 1 38 38 GLU HB2 H 1 1.961 0.030 . 2 . . . . 38 GLU HB2 . 11171 1 345 . 1 1 38 38 GLU HB3 H 1 1.888 0.030 . 2 . . . . 38 GLU HB3 . 11171 1 346 . 1 1 38 38 GLU HG2 H 1 2.210 0.030 . 1 . . . . 38 GLU HG2 . 11171 1 347 . 1 1 38 38 GLU HG3 H 1 2.210 0.030 . 1 . . . . 38 GLU HG3 . 11171 1 348 . 1 1 38 38 GLU C C 13 176.344 0.300 . 1 . . . . 38 GLU C . 11171 1 349 . 1 1 38 38 GLU CA C 13 56.552 0.300 . 1 . . . . 38 GLU CA . 11171 1 350 . 1 1 38 38 GLU CB C 13 30.363 0.300 . 1 . . . . 38 GLU CB . 11171 1 351 . 1 1 38 38 GLU CG C 13 36.211 0.300 . 1 . . . . 38 GLU CG . 11171 1 352 . 1 1 38 38 GLU N N 15 120.595 0.300 . 1 . . . . 38 GLU N . 11171 1 353 . 1 1 39 39 ARG H H 1 8.308 0.030 . 1 . . . . 39 ARG H . 11171 1 354 . 1 1 39 39 ARG HA H 1 4.274 0.030 . 1 . . . . 39 ARG HA . 11171 1 355 . 1 1 39 39 ARG HB2 H 1 1.755 0.030 . 2 . . . . 39 ARG HB2 . 11171 1 356 . 1 1 39 39 ARG HB3 H 1 1.683 0.030 . 2 . . . . 39 ARG HB3 . 11171 1 357 . 1 1 39 39 ARG HD2 H 1 3.131 0.030 . 1 . . . . 39 ARG HD2 . 11171 1 358 . 1 1 39 39 ARG HD3 H 1 3.131 0.030 . 1 . . . . 39 ARG HD3 . 11171 1 359 . 1 1 39 39 ARG HG2 H 1 1.536 0.030 . 1 . . . . 39 ARG HG2 . 11171 1 360 . 1 1 39 39 ARG HG3 H 1 1.536 0.030 . 1 . . . . 39 ARG HG3 . 11171 1 361 . 1 1 39 39 ARG C C 13 174.070 0.300 . 1 . . . . 39 ARG C . 11171 1 362 . 1 1 39 39 ARG CA C 13 55.943 0.300 . 1 . . . . 39 ARG CA . 11171 1 363 . 1 1 39 39 ARG CB C 13 30.667 0.300 . 1 . . . . 39 ARG CB . 11171 1 364 . 1 1 39 39 ARG CD C 13 43.277 0.300 . 1 . . . . 39 ARG CD . 11171 1 365 . 1 1 39 39 ARG CG C 13 26.895 0.300 . 1 . . . . 39 ARG CG . 11171 1 366 . 1 1 39 39 ARG N N 15 121.749 0.300 . 1 . . . . 39 ARG N . 11171 1 367 . 1 1 40 40 HIS HD2 H 1 7.064 0.030 . 1 . . . . 40 HIS HD2 . 11171 1 368 . 1 1 40 40 HIS CD2 C 13 120.029 0.300 . 1 . . . . 40 HIS CD2 . 11171 1 369 . 1 1 42 42 GLY HA2 H 1 4.101 0.030 . 1 . . . . 42 GLY HA2 . 11171 1 370 . 1 1 42 42 GLY HA3 H 1 4.101 0.030 . 1 . . . . 42 GLY HA3 . 11171 1 371 . 1 1 42 42 GLY CA C 13 44.589 0.300 . 1 . . . . 42 GLY CA . 11171 1 372 . 1 1 43 43 PRO HA H 1 4.456 0.030 . 1 . . . . 43 PRO HA . 11171 1 373 . 1 1 43 43 PRO HB2 H 1 1.952 0.030 . 2 . . . . 43 PRO HB2 . 11171 1 374 . 1 1 43 43 PRO HB3 H 1 2.271 0.030 . 2 . . . . 43 PRO HB3 . 11171 1 375 . 1 1 43 43 PRO HD2 H 1 3.608 0.030 . 1 . . . . 43 PRO HD2 . 11171 1 376 . 1 1 43 43 PRO HD3 H 1 3.608 0.030 . 1 . . . . 43 PRO HD3 . 11171 1 377 . 1 1 43 43 PRO HG2 H 1 1.990 0.030 . 1 . . . . 43 PRO HG2 . 11171 1 378 . 1 1 43 43 PRO HG3 H 1 1.990 0.030 . 1 . . . . 43 PRO HG3 . 11171 1 379 . 1 1 43 43 PRO C C 13 177.402 0.300 . 1 . . . . 43 PRO C . 11171 1 380 . 1 1 43 43 PRO CA C 13 63.265 0.300 . 1 . . . . 43 PRO CA . 11171 1 381 . 1 1 43 43 PRO CB C 13 32.162 0.300 . 1 . . . . 43 PRO CB . 11171 1 382 . 1 1 43 43 PRO CD C 13 49.763 0.300 . 1 . . . . 43 PRO CD . 11171 1 383 . 1 1 43 43 PRO CG C 13 27.150 0.300 . 1 . . . . 43 PRO CG . 11171 1 384 . 1 1 44 44 SER H H 1 8.532 0.030 . 1 . . . . 44 SER H . 11171 1 385 . 1 1 44 44 SER C C 13 174.648 0.300 . 1 . . . . 44 SER C . 11171 1 386 . 1 1 44 44 SER N N 15 116.488 0.300 . 1 . . . . 44 SER N . 11171 1 stop_ save_