################################### # 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 11386 _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 15N-separated NOESY' 1 $sample_1 isotropic 11386 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11386 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 . . 11386 1 2 $NMRPipe . . 11386 1 3 $NMRView . . 11386 1 4 $Kujira . . 11386 1 5 $CYANA . . 11386 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 4.397 0.030 . 1 . . . . 8 THR HA . 11386 1 2 . 1 1 8 8 THR HB H 1 4.323 0.030 . 1 . . . . 8 THR HB . 11386 1 3 . 1 1 8 8 THR HG21 H 1 1.222 0.030 . 1 . . . . 8 THR HG2 . 11386 1 4 . 1 1 8 8 THR HG22 H 1 1.222 0.030 . 1 . . . . 8 THR HG2 . 11386 1 5 . 1 1 8 8 THR HG23 H 1 1.222 0.030 . 1 . . . . 8 THR HG2 . 11386 1 6 . 1 1 8 8 THR CA C 13 61.942 0.300 . 1 . . . . 8 THR CA . 11386 1 7 . 1 1 8 8 THR CB C 13 69.878 0.300 . 1 . . . . 8 THR CB . 11386 1 8 . 1 1 8 8 THR CG2 C 13 21.545 0.300 . 1 . . . . 8 THR CG2 . 11386 1 9 . 1 1 9 9 GLY HA2 H 1 4.035 0.030 . 1 . . . . 9 GLY HA2 . 11386 1 10 . 1 1 9 9 GLY HA3 H 1 4.035 0.030 . 1 . . . . 9 GLY HA3 . 11386 1 11 . 1 1 9 9 GLY C C 13 173.929 0.300 . 1 . . . . 9 GLY C . 11386 1 12 . 1 1 9 9 GLY CA C 13 45.362 0.300 . 1 . . . . 9 GLY CA . 11386 1 13 . 1 1 10 10 GLU H H 1 8.125 0.030 . 1 . . . . 10 GLU H . 11386 1 14 . 1 1 10 10 GLU HA H 1 4.301 0.030 . 1 . . . . 10 GLU HA . 11386 1 15 . 1 1 10 10 GLU HB2 H 1 2.032 0.030 . 2 . . . . 10 GLU HB2 . 11386 1 16 . 1 1 10 10 GLU HB3 H 1 1.961 0.030 . 2 . . . . 10 GLU HB3 . 11386 1 17 . 1 1 10 10 GLU HG2 H 1 2.259 0.030 . 2 . . . . 10 GLU HG2 . 11386 1 18 . 1 1 10 10 GLU HG3 H 1 2.317 0.030 . 2 . . . . 10 GLU HG3 . 11386 1 19 . 1 1 10 10 GLU C C 13 176.226 0.300 . 1 . . . . 10 GLU C . 11386 1 20 . 1 1 10 10 GLU CA C 13 56.469 0.300 . 1 . . . . 10 GLU CA . 11386 1 21 . 1 1 10 10 GLU CB C 13 30.541 0.300 . 1 . . . . 10 GLU CB . 11386 1 22 . 1 1 10 10 GLU CG C 13 36.237 0.300 . 1 . . . . 10 GLU CG . 11386 1 23 . 1 1 10 10 GLU N N 15 120.419 0.300 . 1 . . . . 10 GLU N . 11386 1 24 . 1 1 11 11 LYS H H 1 8.424 0.030 . 1 . . . . 11 LYS H . 11386 1 25 . 1 1 11 11 LYS HA H 1 4.652 0.030 . 1 . . . . 11 LYS HA . 11386 1 26 . 1 1 11 11 LYS HB2 H 1 1.851 0.030 . 2 . . . . 11 LYS HB2 . 11386 1 27 . 1 1 11 11 LYS HB3 H 1 1.762 0.030 . 2 . . . . 11 LYS HB3 . 11386 1 28 . 1 1 11 11 LYS HD2 H 1 1.721 0.030 . 1 . . . . 11 LYS HD2 . 11386 1 29 . 1 1 11 11 LYS HD3 H 1 1.721 0.030 . 1 . . . . 11 LYS HD3 . 11386 1 30 . 1 1 11 11 LYS HE2 H 1 3.037 0.030 . 1 . . . . 11 LYS HE2 . 11386 1 31 . 1 1 11 11 LYS HE3 H 1 3.037 0.030 . 1 . . . . 11 LYS HE3 . 11386 1 32 . 1 1 11 11 LYS HG2 H 1 1.500 0.030 . 1 . . . . 11 LYS HG2 . 11386 1 33 . 1 1 11 11 LYS HG3 H 1 1.500 0.030 . 1 . . . . 11 LYS HG3 . 11386 1 34 . 1 1 11 11 LYS C C 13 174.504 0.300 . 1 . . . . 11 LYS C . 11386 1 35 . 1 1 11 11 LYS CA C 13 54.168 0.300 . 1 . . . . 11 LYS CA . 11386 1 36 . 1 1 11 11 LYS CB C 13 32.535 0.300 . 1 . . . . 11 LYS CB . 11386 1 37 . 1 1 11 11 LYS CD C 13 29.158 0.300 . 1 . . . . 11 LYS CD . 11386 1 38 . 1 1 11 11 LYS CE C 13 42.268 0.300 . 1 . . . . 11 LYS CE . 11386 1 39 . 1 1 11 11 LYS CG C 13 24.516 0.300 . 1 . . . . 11 LYS CG . 11386 1 40 . 1 1 11 11 LYS N N 15 123.700 0.300 . 1 . . . . 11 LYS N . 11386 1 41 . 1 1 12 12 PRO HA H 1 4.329 0.030 . 1 . . . . 12 PRO HA . 11386 1 42 . 1 1 12 12 PRO HB2 H 1 2.061 0.030 . 2 . . . . 12 PRO HB2 . 11386 1 43 . 1 1 12 12 PRO HB3 H 1 1.331 0.030 . 2 . . . . 12 PRO HB3 . 11386 1 44 . 1 1 12 12 PRO HD2 H 1 3.735 0.030 . 2 . . . . 12 PRO HD2 . 11386 1 45 . 1 1 12 12 PRO HD3 H 1 3.694 0.030 . 2 . . . . 12 PRO HD3 . 11386 1 46 . 1 1 12 12 PRO HG2 H 1 1.860 0.030 . 2 . . . . 12 PRO HG2 . 11386 1 47 . 1 1 12 12 PRO HG3 H 1 1.658 0.030 . 2 . . . . 12 PRO HG3 . 11386 1 48 . 1 1 12 12 PRO C C 13 176.587 0.300 . 1 . . . . 12 PRO C . 11386 1 49 . 1 1 12 12 PRO CA C 13 63.595 0.300 . 1 . . . . 12 PRO CA . 11386 1 50 . 1 1 12 12 PRO CB C 13 32.383 0.300 . 1 . . . . 12 PRO CB . 11386 1 51 . 1 1 12 12 PRO CD C 13 50.391 0.300 . 1 . . . . 12 PRO CD . 11386 1 52 . 1 1 12 12 PRO CG C 13 26.636 0.300 . 1 . . . . 12 PRO CG . 11386 1 53 . 1 1 13 13 TYR H H 1 7.872 0.030 . 1 . . . . 13 TYR H . 11386 1 54 . 1 1 13 13 TYR HA H 1 4.686 0.030 . 1 . . . . 13 TYR HA . 11386 1 55 . 1 1 13 13 TYR HB2 H 1 2.997 0.030 . 2 . . . . 13 TYR HB2 . 11386 1 56 . 1 1 13 13 TYR HB3 H 1 2.856 0.030 . 2 . . . . 13 TYR HB3 . 11386 1 57 . 1 1 13 13 TYR HD1 H 1 7.094 0.030 . 1 . . . . 13 TYR HD1 . 11386 1 58 . 1 1 13 13 TYR HD2 H 1 7.094 0.030 . 1 . . . . 13 TYR HD2 . 11386 1 59 . 1 1 13 13 TYR HE1 H 1 6.963 0.030 . 1 . . . . 13 TYR HE1 . 11386 1 60 . 1 1 13 13 TYR HE2 H 1 6.963 0.030 . 1 . . . . 13 TYR HE2 . 11386 1 61 . 1 1 13 13 TYR C C 13 174.464 0.300 . 1 . . . . 13 TYR C . 11386 1 62 . 1 1 13 13 TYR CA C 13 57.644 0.300 . 1 . . . . 13 TYR CA . 11386 1 63 . 1 1 13 13 TYR CB C 13 38.687 0.300 . 1 . . . . 13 TYR CB . 11386 1 64 . 1 1 13 13 TYR CD1 C 13 133.242 0.300 . 1 . . . . 13 TYR CD1 . 11386 1 65 . 1 1 13 13 TYR CD2 C 13 133.242 0.300 . 1 . . . . 13 TYR CD2 . 11386 1 66 . 1 1 13 13 TYR CE1 C 13 118.585 0.300 . 1 . . . . 13 TYR CE1 . 11386 1 67 . 1 1 13 13 TYR CE2 C 13 118.585 0.300 . 1 . . . . 13 TYR CE2 . 11386 1 68 . 1 1 13 13 TYR N N 15 118.378 0.300 . 1 . . . . 13 TYR N . 11386 1 69 . 1 1 14 14 LYS H H 1 8.621 0.030 . 1 . . . . 14 LYS H . 11386 1 70 . 1 1 14 14 LYS HA H 1 5.000 0.030 . 1 . . . . 14 LYS HA . 11386 1 71 . 1 1 14 14 LYS HB2 H 1 1.699 0.030 . 2 . . . . 14 LYS HB2 . 11386 1 72 . 1 1 14 14 LYS HB3 H 1 1.653 0.030 . 2 . . . . 14 LYS HB3 . 11386 1 73 . 1 1 14 14 LYS HD2 H 1 1.632 0.030 . 1 . . . . 14 LYS HD2 . 11386 1 74 . 1 1 14 14 LYS HD3 H 1 1.632 0.030 . 1 . . . . 14 LYS HD3 . 11386 1 75 . 1 1 14 14 LYS HE2 H 1 2.964 0.030 . 1 . . . . 14 LYS HE2 . 11386 1 76 . 1 1 14 14 LYS HE3 H 1 2.964 0.030 . 1 . . . . 14 LYS HE3 . 11386 1 77 . 1 1 14 14 LYS HG2 H 1 1.222 0.030 . 1 . . . . 14 LYS HG2 . 11386 1 78 . 1 1 14 14 LYS HG3 H 1 1.222 0.030 . 1 . . . . 14 LYS HG3 . 11386 1 79 . 1 1 14 14 LYS C C 13 175.028 0.300 . 1 . . . . 14 LYS C . 11386 1 80 . 1 1 14 14 LYS CA C 13 55.225 0.300 . 1 . . . . 14 LYS CA . 11386 1 81 . 1 1 14 14 LYS CB C 13 35.403 0.300 . 1 . . . . 14 LYS CB . 11386 1 82 . 1 1 14 14 LYS CD C 13 29.402 0.300 . 1 . . . . 14 LYS CD . 11386 1 83 . 1 1 14 14 LYS CE C 13 42.124 0.300 . 1 . . . . 14 LYS CE . 11386 1 84 . 1 1 14 14 LYS CG C 13 24.864 0.300 . 1 . . . . 14 LYS CG . 11386 1 85 . 1 1 14 14 LYS N N 15 124.825 0.300 . 1 . . . . 14 LYS N . 11386 1 86 . 1 1 15 15 CYS H H 1 9.249 0.030 . 1 . . . . 15 CYS H . 11386 1 87 . 1 1 15 15 CYS HA H 1 4.571 0.030 . 1 . . . . 15 CYS HA . 11386 1 88 . 1 1 15 15 CYS HB2 H 1 3.453 0.030 . 2 . . . . 15 CYS HB2 . 11386 1 89 . 1 1 15 15 CYS HB3 H 1 2.897 0.030 . 2 . . . . 15 CYS HB3 . 11386 1 90 . 1 1 15 15 CYS C C 13 177.053 0.300 . 1 . . . . 15 CYS C . 11386 1 91 . 1 1 15 15 CYS CA C 13 59.394 0.300 . 1 . . . . 15 CYS CA . 11386 1 92 . 1 1 15 15 CYS CB C 13 29.644 0.300 . 1 . . . . 15 CYS CB . 11386 1 93 . 1 1 15 15 CYS N N 15 126.489 0.300 . 1 . . . . 15 CYS N . 11386 1 94 . 1 1 16 16 ASN H H 1 9.426 0.030 . 1 . . . . 16 ASN H . 11386 1 95 . 1 1 16 16 ASN HA H 1 4.564 0.030 . 1 . . . . 16 ASN HA . 11386 1 96 . 1 1 16 16 ASN HB2 H 1 2.928 0.030 . 1 . . . . 16 ASN HB2 . 11386 1 97 . 1 1 16 16 ASN HB3 H 1 2.928 0.030 . 1 . . . . 16 ASN HB3 . 11386 1 98 . 1 1 16 16 ASN C C 13 175.479 0.300 . 1 . . . . 16 ASN C . 11386 1 99 . 1 1 16 16 ASN CA C 13 55.671 0.300 . 1 . . . . 16 ASN CA . 11386 1 100 . 1 1 16 16 ASN CB C 13 38.537 0.300 . 1 . . . . 16 ASN CB . 11386 1 101 . 1 1 16 16 ASN N N 15 130.224 0.300 . 1 . . . . 16 ASN N . 11386 1 102 . 1 1 17 17 GLU H H 1 8.684 0.030 . 1 . . . . 17 GLU H . 11386 1 103 . 1 1 17 17 GLU HA H 1 4.257 0.030 . 1 . . . . 17 GLU HA . 11386 1 104 . 1 1 17 17 GLU HB2 H 1 1.340 0.030 . 1 . . . . 17 GLU HB2 . 11386 1 105 . 1 1 17 17 GLU HB3 H 1 1.340 0.030 . 1 . . . . 17 GLU HB3 . 11386 1 106 . 1 1 17 17 GLU HG2 H 1 1.930 0.030 . 2 . . . . 17 GLU HG2 . 11386 1 107 . 1 1 17 17 GLU HG3 H 1 1.859 0.030 . 2 . . . . 17 GLU HG3 . 11386 1 108 . 1 1 17 17 GLU C C 13 177.136 0.300 . 1 . . . . 17 GLU C . 11386 1 109 . 1 1 17 17 GLU CA C 13 58.437 0.300 . 1 . . . . 17 GLU CA . 11386 1 110 . 1 1 17 17 GLU CB C 13 29.437 0.300 . 1 . . . . 17 GLU CB . 11386 1 111 . 1 1 17 17 GLU CG C 13 35.785 0.300 . 1 . . . . 17 GLU CG . 11386 1 112 . 1 1 17 17 GLU N N 15 120.548 0.300 . 1 . . . . 17 GLU N . 11386 1 113 . 1 1 18 18 CYS H H 1 7.901 0.030 . 1 . . . . 18 CYS H . 11386 1 114 . 1 1 18 18 CYS HA H 1 5.199 0.030 . 1 . . . . 18 CYS HA . 11386 1 115 . 1 1 18 18 CYS HB2 H 1 3.483 0.030 . 2 . . . . 18 CYS HB2 . 11386 1 116 . 1 1 18 18 CYS HB3 H 1 2.914 0.030 . 2 . . . . 18 CYS HB3 . 11386 1 117 . 1 1 18 18 CYS C C 13 176.245 0.300 . 1 . . . . 18 CYS C . 11386 1 118 . 1 1 18 18 CYS CA C 13 58.345 0.300 . 1 . . . . 18 CYS CA . 11386 1 119 . 1 1 18 18 CYS CB C 13 32.504 0.300 . 1 . . . . 18 CYS CB . 11386 1 120 . 1 1 18 18 CYS N N 15 114.464 0.300 . 1 . . . . 18 CYS N . 11386 1 121 . 1 1 19 19 GLY H H 1 8.196 0.030 . 1 . . . . 19 GLY H . 11386 1 122 . 1 1 19 19 GLY HA2 H 1 4.279 0.030 . 2 . . . . 19 GLY HA2 . 11386 1 123 . 1 1 19 19 GLY HA3 H 1 3.822 0.030 . 2 . . . . 19 GLY HA3 . 11386 1 124 . 1 1 19 19 GLY C C 13 173.712 0.300 . 1 . . . . 19 GLY C . 11386 1 125 . 1 1 19 19 GLY CA C 13 46.278 0.300 . 1 . . . . 19 GLY CA . 11386 1 126 . 1 1 19 19 GLY N N 15 113.418 0.300 . 1 . . . . 19 GLY N . 11386 1 127 . 1 1 20 20 LYS H H 1 8.000 0.030 . 1 . . . . 20 LYS H . 11386 1 128 . 1 1 20 20 LYS HA H 1 3.968 0.030 . 1 . . . . 20 LYS HA . 11386 1 129 . 1 1 20 20 LYS HB2 H 1 1.461 0.030 . 2 . . . . 20 LYS HB2 . 11386 1 130 . 1 1 20 20 LYS HB3 H 1 1.232 0.030 . 2 . . . . 20 LYS HB3 . 11386 1 131 . 1 1 20 20 LYS HD2 H 1 1.547 0.030 . 2 . . . . 20 LYS HD2 . 11386 1 132 . 1 1 20 20 LYS HD3 H 1 1.478 0.030 . 2 . . . . 20 LYS HD3 . 11386 1 133 . 1 1 20 20 LYS HE2 H 1 2.972 0.030 . 1 . . . . 20 LYS HE2 . 11386 1 134 . 1 1 20 20 LYS HE3 H 1 2.972 0.030 . 1 . . . . 20 LYS HE3 . 11386 1 135 . 1 1 20 20 LYS HG2 H 1 1.096 0.030 . 2 . . . . 20 LYS HG2 . 11386 1 136 . 1 1 20 20 LYS HG3 H 1 1.443 0.030 . 2 . . . . 20 LYS HG3 . 11386 1 137 . 1 1 20 20 LYS C C 13 173.474 0.300 . 1 . . . . 20 LYS C . 11386 1 138 . 1 1 20 20 LYS CA C 13 58.291 0.300 . 1 . . . . 20 LYS CA . 11386 1 139 . 1 1 20 20 LYS CB C 13 33.754 0.300 . 1 . . . . 20 LYS CB . 11386 1 140 . 1 1 20 20 LYS CD C 13 29.421 0.300 . 1 . . . . 20 LYS CD . 11386 1 141 . 1 1 20 20 LYS CE C 13 42.124 0.300 . 1 . . . . 20 LYS CE . 11386 1 142 . 1 1 20 20 LYS CG C 13 26.271 0.300 . 1 . . . . 20 LYS CG . 11386 1 143 . 1 1 20 20 LYS N N 15 123.114 0.300 . 1 . . . . 20 LYS N . 11386 1 144 . 1 1 21 21 ALA H H 1 7.794 0.030 . 1 . . . . 21 ALA H . 11386 1 145 . 1 1 21 21 ALA HA H 1 5.167 0.030 . 1 . . . . 21 ALA HA . 11386 1 146 . 1 1 21 21 ALA HB1 H 1 1.251 0.030 . 1 . . . . 21 ALA HB . 11386 1 147 . 1 1 21 21 ALA HB2 H 1 1.251 0.030 . 1 . . . . 21 ALA HB . 11386 1 148 . 1 1 21 21 ALA HB3 H 1 1.251 0.030 . 1 . . . . 21 ALA HB . 11386 1 149 . 1 1 21 21 ALA C C 13 176.207 0.300 . 1 . . . . 21 ALA C . 11386 1 150 . 1 1 21 21 ALA CA C 13 50.362 0.300 . 1 . . . . 21 ALA CA . 11386 1 151 . 1 1 21 21 ALA CB C 13 22.353 0.300 . 1 . . . . 21 ALA CB . 11386 1 152 . 1 1 21 21 ALA N N 15 123.841 0.300 . 1 . . . . 21 ALA N . 11386 1 153 . 1 1 22 22 PHE H H 1 8.806 0.030 . 1 . . . . 22 PHE H . 11386 1 154 . 1 1 22 22 PHE HA H 1 4.755 0.030 . 1 . . . . 22 PHE HA . 11386 1 155 . 1 1 22 22 PHE HB2 H 1 3.447 0.030 . 2 . . . . 22 PHE HB2 . 11386 1 156 . 1 1 22 22 PHE HB3 H 1 2.697 0.030 . 2 . . . . 22 PHE HB3 . 11386 1 157 . 1 1 22 22 PHE HD1 H 1 7.288 0.030 . 1 . . . . 22 PHE HD1 . 11386 1 158 . 1 1 22 22 PHE HD2 H 1 7.288 0.030 . 1 . . . . 22 PHE HD2 . 11386 1 159 . 1 1 22 22 PHE HE1 H 1 6.880 0.030 . 1 . . . . 22 PHE HE1 . 11386 1 160 . 1 1 22 22 PHE HE2 H 1 6.880 0.030 . 1 . . . . 22 PHE HE2 . 11386 1 161 . 1 1 22 22 PHE HZ H 1 6.221 0.030 . 1 . . . . 22 PHE HZ . 11386 1 162 . 1 1 22 22 PHE C C 13 175.226 0.300 . 1 . . . . 22 PHE C . 11386 1 163 . 1 1 22 22 PHE CA C 13 58.498 0.300 . 1 . . . . 22 PHE CA . 11386 1 164 . 1 1 22 22 PHE CB C 13 43.869 0.300 . 1 . . . . 22 PHE CB . 11386 1 165 . 1 1 22 22 PHE CD1 C 13 132.339 0.300 . 1 . . . . 22 PHE CD1 . 11386 1 166 . 1 1 22 22 PHE CD2 C 13 132.339 0.300 . 1 . . . . 22 PHE CD2 . 11386 1 167 . 1 1 22 22 PHE CE1 C 13 130.786 0.300 . 1 . . . . 22 PHE CE1 . 11386 1 168 . 1 1 22 22 PHE CE2 C 13 130.786 0.300 . 1 . . . . 22 PHE CE2 . 11386 1 169 . 1 1 22 22 PHE CZ C 13 128.738 0.300 . 1 . . . . 22 PHE CZ . 11386 1 170 . 1 1 22 22 PHE N N 15 116.600 0.300 . 1 . . . . 22 PHE N . 11386 1 171 . 1 1 23 23 ARG H H 1 9.245 0.030 . 1 . . . . 23 ARG H . 11386 1 172 . 1 1 23 23 ARG HA H 1 4.560 0.030 . 1 . . . . 23 ARG HA . 11386 1 173 . 1 1 23 23 ARG HB2 H 1 2.089 0.030 . 2 . . . . 23 ARG HB2 . 11386 1 174 . 1 1 23 23 ARG HB3 H 1 2.025 0.030 . 2 . . . . 23 ARG HB3 . 11386 1 175 . 1 1 23 23 ARG HD2 H 1 3.351 0.030 . 1 . . . . 23 ARG HD2 . 11386 1 176 . 1 1 23 23 ARG HD3 H 1 3.351 0.030 . 1 . . . . 23 ARG HD3 . 11386 1 177 . 1 1 23 23 ARG HG2 H 1 1.865 0.030 . 1 . . . . 23 ARG HG2 . 11386 1 178 . 1 1 23 23 ARG HG3 H 1 1.865 0.030 . 1 . . . . 23 ARG HG3 . 11386 1 179 . 1 1 23 23 ARG C C 13 175.328 0.300 . 1 . . . . 23 ARG C . 11386 1 180 . 1 1 23 23 ARG CA C 13 58.114 0.300 . 1 . . . . 23 ARG CA . 11386 1 181 . 1 1 23 23 ARG CB C 13 31.205 0.300 . 1 . . . . 23 ARG CB . 11386 1 182 . 1 1 23 23 ARG CD C 13 43.453 0.300 . 1 . . . . 23 ARG CD . 11386 1 183 . 1 1 23 23 ARG CG C 13 27.980 0.300 . 1 . . . . 23 ARG CG . 11386 1 184 . 1 1 23 23 ARG N N 15 120.733 0.300 . 1 . . . . 23 ARG N . 11386 1 185 . 1 1 24 24 ALA H H 1 7.709 0.030 . 1 . . . . 24 ALA H . 11386 1 186 . 1 1 24 24 ALA HA H 1 4.874 0.030 . 1 . . . . 24 ALA HA . 11386 1 187 . 1 1 24 24 ALA HB1 H 1 1.489 0.030 . 1 . . . . 24 ALA HB . 11386 1 188 . 1 1 24 24 ALA HB2 H 1 1.489 0.030 . 1 . . . . 24 ALA HB . 11386 1 189 . 1 1 24 24 ALA HB3 H 1 1.489 0.030 . 1 . . . . 24 ALA HB . 11386 1 190 . 1 1 24 24 ALA C C 13 177.051 0.300 . 1 . . . . 24 ALA C . 11386 1 191 . 1 1 24 24 ALA CA C 13 50.519 0.300 . 1 . . . . 24 ALA CA . 11386 1 192 . 1 1 24 24 ALA CB C 13 21.552 0.300 . 1 . . . . 24 ALA CB . 11386 1 193 . 1 1 24 24 ALA N N 15 118.603 0.300 . 1 . . . . 24 ALA N . 11386 1 194 . 1 1 25 25 HIS H H 1 8.580 0.030 . 1 . . . . 25 HIS H . 11386 1 195 . 1 1 25 25 HIS HA H 1 3.275 0.030 . 1 . . . . 25 HIS HA . 11386 1 196 . 1 1 25 25 HIS HB2 H 1 2.472 0.030 . 2 . . . . 25 HIS HB2 . 11386 1 197 . 1 1 25 25 HIS HB3 H 1 2.758 0.030 . 2 . . . . 25 HIS HB3 . 11386 1 198 . 1 1 25 25 HIS HD2 H 1 6.884 0.030 . 1 . . . . 25 HIS HD2 . 11386 1 199 . 1 1 25 25 HIS HE1 H 1 7.722 0.030 . 1 . . . . 25 HIS HE1 . 11386 1 200 . 1 1 25 25 HIS C C 13 177.720 0.300 . 1 . . . . 25 HIS C . 11386 1 201 . 1 1 25 25 HIS CA C 13 60.354 0.300 . 1 . . . . 25 HIS CA . 11386 1 202 . 1 1 25 25 HIS CB C 13 30.265 0.300 . 1 . . . . 25 HIS CB . 11386 1 203 . 1 1 25 25 HIS CD2 C 13 118.874 0.300 . 1 . . . . 25 HIS CD2 . 11386 1 204 . 1 1 25 25 HIS CE1 C 13 138.327 0.300 . 1 . . . . 25 HIS CE1 . 11386 1 205 . 1 1 25 25 HIS N N 15 125.543 0.300 . 1 . . . . 25 HIS N . 11386 1 206 . 1 1 26 26 SER HA H 1 4.086 0.030 . 1 . . . . 26 SER HA . 11386 1 207 . 1 1 26 26 SER HB2 H 1 3.857 0.030 . 1 . . . . 26 SER HB2 . 11386 1 208 . 1 1 26 26 SER HB3 H 1 3.857 0.030 . 1 . . . . 26 SER HB3 . 11386 1 209 . 1 1 26 26 SER C C 13 176.615 0.300 . 1 . . . . 26 SER C . 11386 1 210 . 1 1 26 26 SER CA C 13 60.743 0.300 . 1 . . . . 26 SER CA . 11386 1 211 . 1 1 26 26 SER CB C 13 61.723 0.300 . 1 . . . . 26 SER CB . 11386 1 212 . 1 1 27 27 ASN H H 1 6.993 0.030 . 1 . . . . 27 ASN H . 11386 1 213 . 1 1 27 27 ASN HA H 1 4.487 0.030 . 1 . . . . 27 ASN HA . 11386 1 214 . 1 1 27 27 ASN HB2 H 1 2.938 0.030 . 1 . . . . 27 ASN HB2 . 11386 1 215 . 1 1 27 27 ASN HB3 H 1 2.938 0.030 . 1 . . . . 27 ASN HB3 . 11386 1 216 . 1 1 27 27 ASN C C 13 177.077 0.300 . 1 . . . . 27 ASN C . 11386 1 217 . 1 1 27 27 ASN CA C 13 55.431 0.300 . 1 . . . . 27 ASN CA . 11386 1 218 . 1 1 27 27 ASN CB C 13 38.927 0.300 . 1 . . . . 27 ASN CB . 11386 1 219 . 1 1 27 27 ASN N N 15 118.761 0.300 . 1 . . . . 27 ASN N . 11386 1 220 . 1 1 28 28 LEU H H 1 7.073 0.030 . 1 . . . . 28 LEU H . 11386 1 221 . 1 1 28 28 LEU HA H 1 3.219 0.030 . 1 . . . . 28 LEU HA . 11386 1 222 . 1 1 28 28 LEU HB2 H 1 1.977 0.030 . 2 . . . . 28 LEU HB2 . 11386 1 223 . 1 1 28 28 LEU HB3 H 1 1.192 0.030 . 2 . . . . 28 LEU HB3 . 11386 1 224 . 1 1 28 28 LEU HD11 H 1 0.989 0.030 . 1 . . . . 28 LEU HD1 . 11386 1 225 . 1 1 28 28 LEU HD12 H 1 0.989 0.030 . 1 . . . . 28 LEU HD1 . 11386 1 226 . 1 1 28 28 LEU HD13 H 1 0.989 0.030 . 1 . . . . 28 LEU HD1 . 11386 1 227 . 1 1 28 28 LEU HD21 H 1 1.005 0.030 . 1 . . . . 28 LEU HD2 . 11386 1 228 . 1 1 28 28 LEU HD22 H 1 1.005 0.030 . 1 . . . . 28 LEU HD2 . 11386 1 229 . 1 1 28 28 LEU HD23 H 1 1.005 0.030 . 1 . . . . 28 LEU HD2 . 11386 1 230 . 1 1 28 28 LEU HG H 1 1.430 0.030 . 1 . . . . 28 LEU HG . 11386 1 231 . 1 1 28 28 LEU C C 13 177.766 0.300 . 1 . . . . 28 LEU C . 11386 1 232 . 1 1 28 28 LEU CA C 13 58.019 0.300 . 1 . . . . 28 LEU CA . 11386 1 233 . 1 1 28 28 LEU CB C 13 40.328 0.300 . 1 . . . . 28 LEU CB . 11386 1 234 . 1 1 28 28 LEU CD1 C 13 26.410 0.300 . 2 . . . . 28 LEU CD1 . 11386 1 235 . 1 1 28 28 LEU CD2 C 13 23.086 0.300 . 2 . . . . 28 LEU CD2 . 11386 1 236 . 1 1 28 28 LEU CG C 13 27.508 0.300 . 1 . . . . 28 LEU CG . 11386 1 237 . 1 1 28 28 LEU N N 15 122.177 0.300 . 1 . . . . 28 LEU N . 11386 1 238 . 1 1 29 29 THR H H 1 8.210 0.030 . 1 . . . . 29 THR H . 11386 1 239 . 1 1 29 29 THR HA H 1 3.932 0.030 . 1 . . . . 29 THR HA . 11386 1 240 . 1 1 29 29 THR HB H 1 4.136 0.030 . 1 . . . . 29 THR HB . 11386 1 241 . 1 1 29 29 THR HG21 H 1 1.056 0.030 . 1 . . . . 29 THR HG2 . 11386 1 242 . 1 1 29 29 THR HG22 H 1 1.056 0.030 . 1 . . . . 29 THR HG2 . 11386 1 243 . 1 1 29 29 THR HG23 H 1 1.056 0.030 . 1 . . . . 29 THR HG2 . 11386 1 244 . 1 1 29 29 THR C C 13 177.651 0.300 . 1 . . . . 29 THR C . 11386 1 245 . 1 1 29 29 THR CA C 13 66.312 0.300 . 1 . . . . 29 THR CA . 11386 1 246 . 1 1 29 29 THR CB C 13 68.228 0.300 . 1 . . . . 29 THR CB . 11386 1 247 . 1 1 29 29 THR CG2 C 13 21.790 0.300 . 1 . . . . 29 THR CG2 . 11386 1 248 . 1 1 29 29 THR N N 15 114.274 0.300 . 1 . . . . 29 THR N . 11386 1 249 . 1 1 30 30 THR H H 1 7.749 0.030 . 1 . . . . 30 THR H . 11386 1 250 . 1 1 30 30 THR HA H 1 3.983 0.030 . 1 . . . . 30 THR HA . 11386 1 251 . 1 1 30 30 THR HB H 1 4.113 0.030 . 1 . . . . 30 THR HB . 11386 1 252 . 1 1 30 30 THR HG21 H 1 1.254 0.030 . 1 . . . . 30 THR HG2 . 11386 1 253 . 1 1 30 30 THR HG22 H 1 1.254 0.030 . 1 . . . . 30 THR HG2 . 11386 1 254 . 1 1 30 30 THR HG23 H 1 1.254 0.030 . 1 . . . . 30 THR HG2 . 11386 1 255 . 1 1 30 30 THR C C 13 176.165 0.300 . 1 . . . . 30 THR C . 11386 1 256 . 1 1 30 30 THR CA C 13 65.991 0.300 . 1 . . . . 30 THR CA . 11386 1 257 . 1 1 30 30 THR CB C 13 68.812 0.300 . 1 . . . . 30 THR CB . 11386 1 258 . 1 1 30 30 THR CG2 C 13 22.041 0.300 . 1 . . . . 30 THR CG2 . 11386 1 259 . 1 1 30 30 THR N N 15 116.811 0.300 . 1 . . . . 30 THR N . 11386 1 260 . 1 1 31 31 HIS H H 1 7.393 0.030 . 1 . . . . 31 HIS H . 11386 1 261 . 1 1 31 31 HIS HA H 1 4.270 0.030 . 1 . . . . 31 HIS HA . 11386 1 262 . 1 1 31 31 HIS HB2 H 1 3.228 0.030 . 2 . . . . 31 HIS HB2 . 11386 1 263 . 1 1 31 31 HIS HB3 H 1 2.949 0.030 . 2 . . . . 31 HIS HB3 . 11386 1 264 . 1 1 31 31 HIS HD2 H 1 6.951 0.030 . 1 . . . . 31 HIS HD2 . 11386 1 265 . 1 1 31 31 HIS HE1 H 1 8.088 0.030 . 1 . . . . 31 HIS HE1 . 11386 1 266 . 1 1 31 31 HIS C C 13 176.190 0.300 . 1 . . . . 31 HIS C . 11386 1 267 . 1 1 31 31 HIS CA C 13 59.069 0.300 . 1 . . . . 31 HIS CA . 11386 1 268 . 1 1 31 31 HIS CB C 13 28.612 0.300 . 1 . . . . 31 HIS CB . 11386 1 269 . 1 1 31 31 HIS CD2 C 13 127.180 0.300 . 1 . . . . 31 HIS CD2 . 11386 1 270 . 1 1 31 31 HIS CE1 C 13 139.838 0.300 . 1 . . . . 31 HIS CE1 . 11386 1 271 . 1 1 31 31 HIS N N 15 121.005 0.300 . 1 . . . . 31 HIS N . 11386 1 272 . 1 1 32 32 GLN H H 1 8.148 0.030 . 1 . . . . 32 GLN H . 11386 1 273 . 1 1 32 32 GLN HA H 1 3.648 0.030 . 1 . . . . 32 GLN HA . 11386 1 274 . 1 1 32 32 GLN HB2 H 1 2.259 0.030 . 2 . . . . 32 GLN HB2 . 11386 1 275 . 1 1 32 32 GLN HB3 H 1 2.327 0.030 . 2 . . . . 32 GLN HB3 . 11386 1 276 . 1 1 32 32 GLN HE21 H 1 7.648 0.030 . 2 . . . . 32 GLN HE21 . 11386 1 277 . 1 1 32 32 GLN HE22 H 1 7.030 0.030 . 2 . . . . 32 GLN HE22 . 11386 1 278 . 1 1 32 32 GLN HG2 H 1 2.848 0.030 . 1 . . . . 32 GLN HG2 . 11386 1 279 . 1 1 32 32 GLN HG3 H 1 2.848 0.030 . 1 . . . . 32 GLN HG3 . 11386 1 280 . 1 1 32 32 GLN C C 13 177.121 0.300 . 1 . . . . 32 GLN C . 11386 1 281 . 1 1 32 32 GLN CA C 13 59.537 0.300 . 1 . . . . 32 GLN CA . 11386 1 282 . 1 1 32 32 GLN CB C 13 28.545 0.300 . 1 . . . . 32 GLN CB . 11386 1 283 . 1 1 32 32 GLN CG C 13 35.463 0.300 . 1 . . . . 32 GLN CG . 11386 1 284 . 1 1 32 32 GLN N N 15 114.116 0.300 . 1 . . . . 32 GLN N . 11386 1 285 . 1 1 32 32 GLN NE2 N 15 112.283 0.300 . 1 . . . . 32 GLN NE2 . 11386 1 286 . 1 1 33 33 VAL H H 1 6.974 0.030 . 1 . . . . 33 VAL H . 11386 1 287 . 1 1 33 33 VAL HA H 1 3.929 0.030 . 1 . . . . 33 VAL HA . 11386 1 288 . 1 1 33 33 VAL HB H 1 2.140 0.030 . 1 . . . . 33 VAL HB . 11386 1 289 . 1 1 33 33 VAL HG11 H 1 1.056 0.030 . 1 . . . . 33 VAL HG1 . 11386 1 290 . 1 1 33 33 VAL HG12 H 1 1.056 0.030 . 1 . . . . 33 VAL HG1 . 11386 1 291 . 1 1 33 33 VAL HG13 H 1 1.056 0.030 . 1 . . . . 33 VAL HG1 . 11386 1 292 . 1 1 33 33 VAL HG21 H 1 0.978 0.030 . 1 . . . . 33 VAL HG2 . 11386 1 293 . 1 1 33 33 VAL HG22 H 1 0.978 0.030 . 1 . . . . 33 VAL HG2 . 11386 1 294 . 1 1 33 33 VAL HG23 H 1 0.978 0.030 . 1 . . . . 33 VAL HG2 . 11386 1 295 . 1 1 33 33 VAL C C 13 178.267 0.300 . 1 . . . . 33 VAL C . 11386 1 296 . 1 1 33 33 VAL CA C 13 64.505 0.300 . 1 . . . . 33 VAL CA . 11386 1 297 . 1 1 33 33 VAL CB C 13 31.737 0.300 . 1 . . . . 33 VAL CB . 11386 1 298 . 1 1 33 33 VAL CG1 C 13 21.271 0.300 . 2 . . . . 33 VAL CG1 . 11386 1 299 . 1 1 33 33 VAL CG2 C 13 21.083 0.300 . 2 . . . . 33 VAL CG2 . 11386 1 300 . 1 1 33 33 VAL N N 15 117.088 0.300 . 1 . . . . 33 VAL N . 11386 1 301 . 1 1 34 34 ILE H H 1 7.675 0.030 . 1 . . . . 34 ILE H . 11386 1 302 . 1 1 34 34 ILE HA H 1 3.995 0.030 . 1 . . . . 34 ILE HA . 11386 1 303 . 1 1 34 34 ILE HB H 1 1.704 0.030 . 1 . . . . 34 ILE HB . 11386 1 304 . 1 1 34 34 ILE HD11 H 1 0.737 0.030 . 1 . . . . 34 ILE HD1 . 11386 1 305 . 1 1 34 34 ILE HD12 H 1 0.737 0.030 . 1 . . . . 34 ILE HD1 . 11386 1 306 . 1 1 34 34 ILE HD13 H 1 0.737 0.030 . 1 . . . . 34 ILE HD1 . 11386 1 307 . 1 1 34 34 ILE HG12 H 1 0.949 0.030 . 2 . . . . 34 ILE HG12 . 11386 1 308 . 1 1 34 34 ILE HG13 H 1 0.742 0.030 . 2 . . . . 34 ILE HG13 . 11386 1 309 . 1 1 34 34 ILE HG21 H 1 0.578 0.030 . 1 . . . . 34 ILE HG2 . 11386 1 310 . 1 1 34 34 ILE HG22 H 1 0.578 0.030 . 1 . . . . 34 ILE HG2 . 11386 1 311 . 1 1 34 34 ILE HG23 H 1 0.578 0.030 . 1 . . . . 34 ILE HG2 . 11386 1 312 . 1 1 34 34 ILE C C 13 177.156 0.300 . 1 . . . . 34 ILE C . 11386 1 313 . 1 1 34 34 ILE CA C 13 63.237 0.300 . 1 . . . . 34 ILE CA . 11386 1 314 . 1 1 34 34 ILE CB C 13 37.697 0.300 . 1 . . . . 34 ILE CB . 11386 1 315 . 1 1 34 34 ILE CD1 C 13 14.467 0.300 . 1 . . . . 34 ILE CD1 . 11386 1 316 . 1 1 34 34 ILE CG1 C 13 26.744 0.300 . 1 . . . . 34 ILE CG1 . 11386 1 317 . 1 1 34 34 ILE CG2 C 13 16.567 0.300 . 1 . . . . 34 ILE CG2 . 11386 1 318 . 1 1 34 34 ILE N N 15 117.606 0.300 . 1 . . . . 34 ILE N . 11386 1 319 . 1 1 35 35 HIS H H 1 7.313 0.030 . 1 . . . . 35 HIS H . 11386 1 320 . 1 1 35 35 HIS HA H 1 4.922 0.030 . 1 . . . . 35 HIS HA . 11386 1 321 . 1 1 35 35 HIS HB2 H 1 3.413 0.030 . 2 . . . . 35 HIS HB2 . 11386 1 322 . 1 1 35 35 HIS HB3 H 1 3.247 0.030 . 2 . . . . 35 HIS HB3 . 11386 1 323 . 1 1 35 35 HIS HD2 H 1 6.802 0.030 . 1 . . . . 35 HIS HD2 . 11386 1 324 . 1 1 35 35 HIS HE1 H 1 8.098 0.030 . 1 . . . . 35 HIS HE1 . 11386 1 325 . 1 1 35 35 HIS C C 13 175.804 0.300 . 1 . . . . 35 HIS C . 11386 1 326 . 1 1 35 35 HIS CA C 13 55.159 0.300 . 1 . . . . 35 HIS CA . 11386 1 327 . 1 1 35 35 HIS CB C 13 28.659 0.300 . 1 . . . . 35 HIS CB . 11386 1 328 . 1 1 35 35 HIS CD2 C 13 127.779 0.300 . 1 . . . . 35 HIS CD2 . 11386 1 329 . 1 1 35 35 HIS CE1 C 13 140.110 0.300 . 1 . . . . 35 HIS CE1 . 11386 1 330 . 1 1 35 35 HIS N N 15 117.350 0.300 . 1 . . . . 35 HIS N . 11386 1 331 . 1 1 36 36 THR H H 1 7.845 0.030 . 1 . . . . 36 THR H . 11386 1 332 . 1 1 36 36 THR HA H 1 4.393 0.030 . 1 . . . . 36 THR HA . 11386 1 333 . 1 1 36 36 THR HB H 1 4.370 0.030 . 1 . . . . 36 THR HB . 11386 1 334 . 1 1 36 36 THR HG21 H 1 1.295 0.030 . 1 . . . . 36 THR HG2 . 11386 1 335 . 1 1 36 36 THR HG22 H 1 1.295 0.030 . 1 . . . . 36 THR HG2 . 11386 1 336 . 1 1 36 36 THR HG23 H 1 1.295 0.030 . 1 . . . . 36 THR HG2 . 11386 1 337 . 1 1 36 36 THR C C 13 175.502 0.300 . 1 . . . . 36 THR C . 11386 1 338 . 1 1 36 36 THR CA C 13 62.857 0.300 . 1 . . . . 36 THR CA . 11386 1 339 . 1 1 36 36 THR CB C 13 70.110 0.300 . 1 . . . . 36 THR CB . 11386 1 340 . 1 1 36 36 THR CG2 C 13 21.618 0.300 . 1 . . . . 36 THR CG2 . 11386 1 341 . 1 1 36 36 THR N N 15 112.071 0.300 . 1 . . . . 36 THR N . 11386 1 342 . 1 1 37 37 GLY H H 1 8.340 0.030 . 1 . . . . 37 GLY H . 11386 1 343 . 1 1 37 37 GLY HA2 H 1 3.973 0.030 . 1 . . . . 37 GLY HA2 . 11386 1 344 . 1 1 37 37 GLY HA3 H 1 3.973 0.030 . 1 . . . . 37 GLY HA3 . 11386 1 345 . 1 1 37 37 GLY C C 13 174.031 0.300 . 1 . . . . 37 GLY C . 11386 1 346 . 1 1 37 37 GLY CA C 13 45.274 0.300 . 1 . . . . 37 GLY CA . 11386 1 347 . 1 1 37 37 GLY N N 15 110.710 0.300 . 1 . . . . 37 GLY N . 11386 1 348 . 1 1 38 38 GLU H H 1 8.250 0.030 . 1 . . . . 38 GLU H . 11386 1 349 . 1 1 38 38 GLU HA H 1 4.221 0.030 . 1 . . . . 38 GLU HA . 11386 1 350 . 1 1 38 38 GLU HB2 H 1 2.030 0.030 . 2 . . . . 38 GLU HB2 . 11386 1 351 . 1 1 38 38 GLU HB3 H 1 1.959 0.030 . 2 . . . . 38 GLU HB3 . 11386 1 352 . 1 1 38 38 GLU HG2 H 1 2.249 0.030 . 2 . . . . 38 GLU HG2 . 11386 1 353 . 1 1 38 38 GLU HG3 H 1 2.303 0.030 . 2 . . . . 38 GLU HG3 . 11386 1 354 . 1 1 38 38 GLU C C 13 176.363 0.300 . 1 . . . . 38 GLU C . 11386 1 355 . 1 1 38 38 GLU CA C 13 57.031 0.300 . 1 . . . . 38 GLU CA . 11386 1 356 . 1 1 38 38 GLU CB C 13 30.580 0.300 . 1 . . . . 38 GLU CB . 11386 1 357 . 1 1 38 38 GLU CG C 13 36.273 0.300 . 1 . . . . 38 GLU CG . 11386 1 358 . 1 1 38 38 GLU N N 15 120.257 0.300 . 1 . . . . 38 GLU N . 11386 1 359 . 1 1 39 39 LYS H H 1 8.284 0.030 . 1 . . . . 39 LYS H . 11386 1 360 . 1 1 39 39 LYS HA H 1 4.570 0.030 . 1 . . . . 39 LYS HA . 11386 1 361 . 1 1 39 39 LYS HB2 H 1 1.611 0.030 . 2 . . . . 39 LYS HB2 . 11386 1 362 . 1 1 39 39 LYS HB3 H 1 1.444 0.030 . 2 . . . . 39 LYS HB3 . 11386 1 363 . 1 1 39 39 LYS HD2 H 1 1.532 0.030 . 1 . . . . 39 LYS HD2 . 11386 1 364 . 1 1 39 39 LYS HD3 H 1 1.532 0.030 . 1 . . . . 39 LYS HD3 . 11386 1 365 . 1 1 39 39 LYS HE2 H 1 2.928 0.030 . 1 . . . . 39 LYS HE2 . 11386 1 366 . 1 1 39 39 LYS HE3 H 1 2.928 0.030 . 1 . . . . 39 LYS HE3 . 11386 1 367 . 1 1 39 39 LYS HG2 H 1 1.363 0.030 . 2 . . . . 39 LYS HG2 . 11386 1 368 . 1 1 39 39 LYS HG3 H 1 1.136 0.030 . 2 . . . . 39 LYS HG3 . 11386 1 369 . 1 1 39 39 LYS C C 13 174.010 0.300 . 1 . . . . 39 LYS C . 11386 1 370 . 1 1 39 39 LYS CA C 13 53.863 0.300 . 1 . . . . 39 LYS CA . 11386 1 371 . 1 1 39 39 LYS CB C 13 33.229 0.300 . 1 . . . . 39 LYS CB . 11386 1 372 . 1 1 39 39 LYS CD C 13 29.583 0.300 . 1 . . . . 39 LYS CD . 11386 1 373 . 1 1 39 39 LYS CE C 13 42.307 0.300 . 1 . . . . 39 LYS CE . 11386 1 374 . 1 1 39 39 LYS CG C 13 25.178 0.300 . 1 . . . . 39 LYS CG . 11386 1 375 . 1 1 39 39 LYS N N 15 121.060 0.300 . 1 . . . . 39 LYS N . 11386 1 376 . 1 1 40 40 PRO HD2 H 1 3.712 0.030 . 1 . . . . 40 PRO HD2 . 11386 1 377 . 1 1 40 40 PRO HD3 H 1 3.712 0.030 . 1 . . . . 40 PRO HD3 . 11386 1 378 . 1 1 40 40 PRO CD C 13 50.452 0.300 . 1 . . . . 40 PRO CD . 11386 1 stop_ save_