################################### # 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 11168 _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 11168 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11168 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 . . 11168 1 2 $NMRPipe . . 11168 1 3 $NMRVIEW . . 11168 1 4 $Kujira . . 11168 1 5 $CYANA . . 11168 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 HB H 1 4.231 0.030 . 1 . . . . 8 THR HB . 11168 1 2 . 1 1 8 8 THR HG21 H 1 1.147 0.030 . 1 . . . . 8 THR HG2 . 11168 1 3 . 1 1 8 8 THR HG22 H 1 1.147 0.030 . 1 . . . . 8 THR HG2 . 11168 1 4 . 1 1 8 8 THR HG23 H 1 1.147 0.030 . 1 . . . . 8 THR HG2 . 11168 1 5 . 1 1 8 8 THR CB C 13 69.797 0.300 . 1 . . . . 8 THR CB . 11168 1 6 . 1 1 8 8 THR CG2 C 13 21.373 0.300 . 1 . . . . 8 THR CG2 . 11168 1 7 . 1 1 10 10 LYS HA H 1 4.242 0.030 . 1 . . . . 10 LYS HA . 11168 1 8 . 1 1 10 10 LYS HB2 H 1 1.728 0.030 . 2 . . . . 10 LYS HB2 . 11168 1 9 . 1 1 10 10 LYS HB3 H 1 1.649 0.030 . 2 . . . . 10 LYS HB3 . 11168 1 10 . 1 1 10 10 LYS HD2 H 1 1.611 0.030 . 1 . . . . 10 LYS HD2 . 11168 1 11 . 1 1 10 10 LYS HD3 H 1 1.611 0.030 . 1 . . . . 10 LYS HD3 . 11168 1 12 . 1 1 10 10 LYS HE2 H 1 2.943 0.030 . 1 . . . . 10 LYS HE2 . 11168 1 13 . 1 1 10 10 LYS HE3 H 1 2.943 0.030 . 1 . . . . 10 LYS HE3 . 11168 1 14 . 1 1 10 10 LYS HG2 H 1 1.374 0.030 . 2 . . . . 10 LYS HG2 . 11168 1 15 . 1 1 10 10 LYS HG3 H 1 1.304 0.030 . 2 . . . . 10 LYS HG3 . 11168 1 16 . 1 1 10 10 LYS C C 13 176.337 0.300 . 1 . . . . 10 LYS C . 11168 1 17 . 1 1 10 10 LYS CA C 13 56.076 0.300 . 1 . . . . 10 LYS CA . 11168 1 18 . 1 1 10 10 LYS CB C 13 33.035 0.300 . 1 . . . . 10 LYS CB . 11168 1 19 . 1 1 10 10 LYS CD C 13 29.017 0.300 . 1 . . . . 10 LYS CD . 11168 1 20 . 1 1 10 10 LYS CE C 13 42.171 0.300 . 1 . . . . 10 LYS CE . 11168 1 21 . 1 1 10 10 LYS CG C 13 24.587 0.300 . 1 . . . . 10 LYS CG . 11168 1 22 . 1 1 11 11 LYS H H 1 8.251 0.030 . 1 . . . . 11 LYS H . 11168 1 23 . 1 1 11 11 LYS HA H 1 4.489 0.030 . 1 . . . . 11 LYS HA . 11168 1 24 . 1 1 11 11 LYS HB2 H 1 1.582 0.030 . 1 . . . . 11 LYS HB2 . 11168 1 25 . 1 1 11 11 LYS HB3 H 1 1.582 0.030 . 1 . . . . 11 LYS HB3 . 11168 1 26 . 1 1 11 11 LYS HD2 H 1 1.598 0.030 . 1 . . . . 11 LYS HD2 . 11168 1 27 . 1 1 11 11 LYS HD3 H 1 1.598 0.030 . 1 . . . . 11 LYS HD3 . 11168 1 28 . 1 1 11 11 LYS HE2 H 1 2.878 0.030 . 1 . . . . 11 LYS HE2 . 11168 1 29 . 1 1 11 11 LYS HE3 H 1 2.878 0.030 . 1 . . . . 11 LYS HE3 . 11168 1 30 . 1 1 11 11 LYS HG2 H 1 1.300 0.030 . 2 . . . . 11 LYS HG2 . 11168 1 31 . 1 1 11 11 LYS HG3 H 1 1.236 0.030 . 2 . . . . 11 LYS HG3 . 11168 1 32 . 1 1 11 11 LYS C C 13 174.129 0.300 . 1 . . . . 11 LYS C . 11168 1 33 . 1 1 11 11 LYS CA C 13 53.869 0.300 . 1 . . . . 11 LYS CA . 11168 1 34 . 1 1 11 11 LYS CB C 13 32.666 0.300 . 1 . . . . 11 LYS CB . 11168 1 35 . 1 1 11 11 LYS CE C 13 41.961 0.300 . 1 . . . . 11 LYS CE . 11168 1 36 . 1 1 11 11 LYS CG C 13 24.619 0.300 . 1 . . . . 11 LYS CG . 11168 1 37 . 1 1 11 11 LYS N N 15 123.639 0.300 . 1 . . . . 11 LYS N . 11168 1 38 . 1 1 12 12 PRO HA H 1 4.283 0.030 . 1 . . . . 12 PRO HA . 11168 1 39 . 1 1 12 12 PRO HB2 H 1 1.482 0.030 . 2 . . . . 12 PRO HB2 . 11168 1 40 . 1 1 12 12 PRO HB3 H 1 2.028 0.030 . 2 . . . . 12 PRO HB3 . 11168 1 41 . 1 1 12 12 PRO HD2 H 1 3.522 0.030 . 2 . . . . 12 PRO HD2 . 11168 1 42 . 1 1 12 12 PRO HD3 H 1 3.620 0.030 . 2 . . . . 12 PRO HD3 . 11168 1 43 . 1 1 12 12 PRO HG2 H 1 1.830 0.030 . 2 . . . . 12 PRO HG2 . 11168 1 44 . 1 1 12 12 PRO HG3 H 1 1.699 0.030 . 2 . . . . 12 PRO HG3 . 11168 1 45 . 1 1 12 12 PRO C C 13 176.357 0.300 . 1 . . . . 12 PRO C . 11168 1 46 . 1 1 12 12 PRO CA C 13 62.727 0.300 . 1 . . . . 12 PRO CA . 11168 1 47 . 1 1 12 12 PRO CB C 13 32.351 0.300 . 1 . . . . 12 PRO CB . 11168 1 48 . 1 1 12 12 PRO CD C 13 50.277 0.300 . 1 . . . . 12 PRO CD . 11168 1 49 . 1 1 12 12 PRO CG C 13 26.783 0.300 . 1 . . . . 12 PRO CG . 11168 1 50 . 1 1 13 13 TYR H H 1 8.119 0.030 . 1 . . . . 13 TYR H . 11168 1 51 . 1 1 13 13 TYR HA H 1 4.557 0.030 . 1 . . . . 13 TYR HA . 11168 1 52 . 1 1 13 13 TYR HB2 H 1 2.862 0.030 . 1 . . . . 13 TYR HB2 . 11168 1 53 . 1 1 13 13 TYR HB3 H 1 2.862 0.030 . 1 . . . . 13 TYR HB3 . 11168 1 54 . 1 1 13 13 TYR HD1 H 1 6.919 0.030 . 1 . . . . 13 TYR HD1 . 11168 1 55 . 1 1 13 13 TYR HD2 H 1 6.919 0.030 . 1 . . . . 13 TYR HD2 . 11168 1 56 . 1 1 13 13 TYR HE1 H 1 6.772 0.030 . 1 . . . . 13 TYR HE1 . 11168 1 57 . 1 1 13 13 TYR HE2 H 1 6.772 0.030 . 1 . . . . 13 TYR HE2 . 11168 1 58 . 1 1 13 13 TYR C C 13 174.082 0.300 . 1 . . . . 13 TYR C . 11168 1 59 . 1 1 13 13 TYR CA C 13 57.268 0.300 . 1 . . . . 13 TYR CA . 11168 1 60 . 1 1 13 13 TYR CB C 13 38.081 0.300 . 1 . . . . 13 TYR CB . 11168 1 61 . 1 1 13 13 TYR CD1 C 13 133.052 0.300 . 1 . . . . 13 TYR CD1 . 11168 1 62 . 1 1 13 13 TYR CD2 C 13 133.052 0.300 . 1 . . . . 13 TYR CD2 . 11168 1 63 . 1 1 13 13 TYR CE1 C 13 118.240 0.300 . 1 . . . . 13 TYR CE1 . 11168 1 64 . 1 1 13 13 TYR CE2 C 13 118.240 0.300 . 1 . . . . 13 TYR CE2 . 11168 1 65 . 1 1 13 13 TYR N N 15 119.882 0.300 . 1 . . . . 13 TYR N . 11168 1 66 . 1 1 14 14 LYS H H 1 8.356 0.030 . 1 . . . . 14 LYS H . 11168 1 67 . 1 1 14 14 LYS HA H 1 5.073 0.030 . 1 . . . . 14 LYS HA . 11168 1 68 . 1 1 14 14 LYS HB2 H 1 1.433 0.030 . 2 . . . . 14 LYS HB2 . 11168 1 69 . 1 1 14 14 LYS HB3 H 1 1.672 0.030 . 2 . . . . 14 LYS HB3 . 11168 1 70 . 1 1 14 14 LYS HD2 H 1 1.509 0.030 . 1 . . . . 14 LYS HD2 . 11168 1 71 . 1 1 14 14 LYS HD3 H 1 1.509 0.030 . 1 . . . . 14 LYS HD3 . 11168 1 72 . 1 1 14 14 LYS HE2 H 1 2.858 0.030 . 1 . . . . 14 LYS HE2 . 11168 1 73 . 1 1 14 14 LYS HE3 H 1 2.858 0.030 . 1 . . . . 14 LYS HE3 . 11168 1 74 . 1 1 14 14 LYS HG2 H 1 1.088 0.030 . 2 . . . . 14 LYS HG2 . 11168 1 75 . 1 1 14 14 LYS HG3 H 1 0.994 0.030 . 2 . . . . 14 LYS HG3 . 11168 1 76 . 1 1 14 14 LYS C C 13 175.110 0.300 . 1 . . . . 14 LYS C . 11168 1 77 . 1 1 14 14 LYS CA C 13 54.681 0.300 . 1 . . . . 14 LYS CA . 11168 1 78 . 1 1 14 14 LYS CB C 13 36.188 0.300 . 1 . . . . 14 LYS CB . 11168 1 79 . 1 1 14 14 LYS CD C 13 29.486 0.300 . 1 . . . . 14 LYS CD . 11168 1 80 . 1 1 14 14 LYS CE C 13 41.962 0.300 . 1 . . . . 14 LYS CE . 11168 1 81 . 1 1 14 14 LYS CG C 13 24.388 0.300 . 1 . . . . 14 LYS CG . 11168 1 82 . 1 1 14 14 LYS N N 15 124.805 0.300 . 1 . . . . 14 LYS N . 11168 1 83 . 1 1 15 15 CYS H H 1 9.287 0.030 . 1 . . . . 15 CYS H . 11168 1 84 . 1 1 15 15 CYS HA H 1 4.492 0.030 . 1 . . . . 15 CYS HA . 11168 1 85 . 1 1 15 15 CYS HB2 H 1 3.332 0.030 . 2 . . . . 15 CYS HB2 . 11168 1 86 . 1 1 15 15 CYS HB3 H 1 2.798 0.030 . 2 . . . . 15 CYS HB3 . 11168 1 87 . 1 1 15 15 CYS C C 13 176.818 0.300 . 1 . . . . 15 CYS C . 11168 1 88 . 1 1 15 15 CYS CA C 13 59.460 0.300 . 1 . . . . 15 CYS CA . 11168 1 89 . 1 1 15 15 CYS CB C 13 29.612 0.300 . 1 . . . . 15 CYS CB . 11168 1 90 . 1 1 15 15 CYS N N 15 127.934 0.300 . 1 . . . . 15 CYS N . 11168 1 91 . 1 1 16 16 ASN HA H 1 4.465 0.030 . 1 . . . . 16 ASN HA . 11168 1 92 . 1 1 16 16 ASN HB2 H 1 2.824 0.030 . 1 . . . . 16 ASN HB2 . 11168 1 93 . 1 1 16 16 ASN HB3 H 1 2.824 0.030 . 1 . . . . 16 ASN HB3 . 11168 1 94 . 1 1 16 16 ASN HD21 H 1 7.671 0.030 . 2 . . . . 16 ASN HD21 . 11168 1 95 . 1 1 16 16 ASN HD22 H 1 6.960 0.030 . 2 . . . . 16 ASN HD22 . 11168 1 96 . 1 1 16 16 ASN C C 13 175.404 0.300 . 1 . . . . 16 ASN C . 11168 1 97 . 1 1 16 16 ASN CA C 13 55.576 0.300 . 1 . . . . 16 ASN CA . 11168 1 98 . 1 1 16 16 ASN CB C 13 38.263 0.300 . 1 . . . . 16 ASN CB . 11168 1 99 . 1 1 16 16 ASN ND2 N 15 113.586 0.300 . 1 . . . . 16 ASN ND2 . 11168 1 100 . 1 1 17 17 GLU H H 1 8.684 0.030 . 1 . . . . 17 GLU H . 11168 1 101 . 1 1 17 17 GLU HA H 1 4.151 0.030 . 1 . . . . 17 GLU HA . 11168 1 102 . 1 1 17 17 GLU HB2 H 1 1.258 0.030 . 1 . . . . 17 GLU HB2 . 11168 1 103 . 1 1 17 17 GLU HB3 H 1 1.258 0.030 . 1 . . . . 17 GLU HB3 . 11168 1 104 . 1 1 17 17 GLU HG2 H 1 1.878 0.030 . 2 . . . . 17 GLU HG2 . 11168 1 105 . 1 1 17 17 GLU HG3 H 1 1.830 0.030 . 2 . . . . 17 GLU HG3 . 11168 1 106 . 1 1 17 17 GLU C C 13 177.135 0.300 . 1 . . . . 17 GLU C . 11168 1 107 . 1 1 17 17 GLU CA C 13 58.728 0.300 . 1 . . . . 17 GLU CA . 11168 1 108 . 1 1 17 17 GLU CB C 13 29.303 0.300 . 1 . . . . 17 GLU CB . 11168 1 109 . 1 1 17 17 GLU CG C 13 36.237 0.300 . 1 . . . . 17 GLU CG . 11168 1 110 . 1 1 17 17 GLU N N 15 120.757 0.300 . 1 . . . . 17 GLU N . 11168 1 111 . 1 1 18 18 CYS H H 1 7.896 0.030 . 1 . . . . 18 CYS H . 11168 1 112 . 1 1 18 18 CYS HA H 1 5.116 0.030 . 1 . . . . 18 CYS HA . 11168 1 113 . 1 1 18 18 CYS HB2 H 1 2.830 0.030 . 2 . . . . 18 CYS HB2 . 11168 1 114 . 1 1 18 18 CYS HB3 H 1 3.389 0.030 . 2 . . . . 18 CYS HB3 . 11168 1 115 . 1 1 18 18 CYS C C 13 176.224 0.300 . 1 . . . . 18 CYS C . 11168 1 116 . 1 1 18 18 CYS CA C 13 58.245 0.300 . 1 . . . . 18 CYS CA . 11168 1 117 . 1 1 18 18 CYS CB C 13 32.333 0.300 . 1 . . . . 18 CYS CB . 11168 1 118 . 1 1 18 18 CYS N N 15 114.676 0.300 . 1 . . . . 18 CYS N . 11168 1 119 . 1 1 19 19 GLY H H 1 8.136 0.030 . 1 . . . . 19 GLY H . 11168 1 120 . 1 1 19 19 GLY HA2 H 1 3.679 0.030 . 2 . . . . 19 GLY HA2 . 11168 1 121 . 1 1 19 19 GLY HA3 H 1 4.188 0.030 . 2 . . . . 19 GLY HA3 . 11168 1 122 . 1 1 19 19 GLY C C 13 173.509 0.300 . 1 . . . . 19 GLY C . 11168 1 123 . 1 1 19 19 GLY CA C 13 46.185 0.300 . 1 . . . . 19 GLY CA . 11168 1 124 . 1 1 19 19 GLY N N 15 113.560 0.300 . 1 . . . . 19 GLY N . 11168 1 125 . 1 1 20 20 LYS H H 1 7.878 0.030 . 1 . . . . 20 LYS H . 11168 1 126 . 1 1 20 20 LYS HA H 1 3.927 0.030 . 1 . . . . 20 LYS HA . 11168 1 127 . 1 1 20 20 LYS HB2 H 1 1.135 0.030 . 2 . . . . 20 LYS HB2 . 11168 1 128 . 1 1 20 20 LYS HB3 H 1 1.366 0.030 . 2 . . . . 20 LYS HB3 . 11168 1 129 . 1 1 20 20 LYS HD2 H 1 1.455 0.030 . 2 . . . . 20 LYS HD2 . 11168 1 130 . 1 1 20 20 LYS HD3 H 1 1.377 0.030 . 2 . . . . 20 LYS HD3 . 11168 1 131 . 1 1 20 20 LYS HE2 H 1 2.921 0.030 . 2 . . . . 20 LYS HE2 . 11168 1 132 . 1 1 20 20 LYS HE3 H 1 2.841 0.030 . 2 . . . . 20 LYS HE3 . 11168 1 133 . 1 1 20 20 LYS HG2 H 1 0.957 0.030 . 2 . . . . 20 LYS HG2 . 11168 1 134 . 1 1 20 20 LYS HG3 H 1 1.373 0.030 . 2 . . . . 20 LYS HG3 . 11168 1 135 . 1 1 20 20 LYS C C 13 174.273 0.300 . 1 . . . . 20 LYS C . 11168 1 136 . 1 1 20 20 LYS CA C 13 58.269 0.300 . 1 . . . . 20 LYS CA . 11168 1 137 . 1 1 20 20 LYS CB C 13 33.778 0.300 . 1 . . . . 20 LYS CB . 11168 1 138 . 1 1 20 20 LYS CD C 13 29.336 0.300 . 1 . . . . 20 LYS CD . 11168 1 139 . 1 1 20 20 LYS CE C 13 42.182 0.300 . 1 . . . . 20 LYS CE . 11168 1 140 . 1 1 20 20 LYS CG C 13 26.323 0.300 . 1 . . . . 20 LYS CG . 11168 1 141 . 1 1 20 20 LYS N N 15 122.684 0.300 . 1 . . . . 20 LYS N . 11168 1 142 . 1 1 21 21 VAL H H 1 7.615 0.030 . 1 . . . . 21 VAL H . 11168 1 143 . 1 1 21 21 VAL HA H 1 4.734 0.030 . 1 . . . . 21 VAL HA . 11168 1 144 . 1 1 21 21 VAL HB H 1 1.793 0.030 . 1 . . . . 21 VAL HB . 11168 1 145 . 1 1 21 21 VAL HG11 H 1 0.780 0.030 . 1 . . . . 21 VAL HG1 . 11168 1 146 . 1 1 21 21 VAL HG12 H 1 0.780 0.030 . 1 . . . . 21 VAL HG1 . 11168 1 147 . 1 1 21 21 VAL HG13 H 1 0.780 0.030 . 1 . . . . 21 VAL HG1 . 11168 1 148 . 1 1 21 21 VAL HG21 H 1 0.773 0.030 . 1 . . . . 21 VAL HG2 . 11168 1 149 . 1 1 21 21 VAL HG22 H 1 0.773 0.030 . 1 . . . . 21 VAL HG2 . 11168 1 150 . 1 1 21 21 VAL HG23 H 1 0.773 0.030 . 1 . . . . 21 VAL HG2 . 11168 1 151 . 1 1 21 21 VAL C C 13 175.225 0.300 . 1 . . . . 21 VAL C . 11168 1 152 . 1 1 21 21 VAL CA C 13 60.536 0.300 . 1 . . . . 21 VAL CA . 11168 1 153 . 1 1 21 21 VAL CB C 13 33.927 0.300 . 1 . . . . 21 VAL CB . 11168 1 154 . 1 1 21 21 VAL CG1 C 13 21.920 0.300 . 2 . . . . 21 VAL CG1 . 11168 1 155 . 1 1 21 21 VAL CG2 C 13 20.406 0.300 . 2 . . . . 21 VAL CG2 . 11168 1 156 . 1 1 21 21 VAL N N 15 117.649 0.300 . 1 . . . . 21 VAL N . 11168 1 157 . 1 1 22 22 PHE H H 1 8.723 0.030 . 1 . . . . 22 PHE H . 11168 1 158 . 1 1 22 22 PHE HA H 1 4.860 0.030 . 1 . . . . 22 PHE HA . 11168 1 159 . 1 1 22 22 PHE HB2 H 1 2.689 0.030 . 2 . . . . 22 PHE HB2 . 11168 1 160 . 1 1 22 22 PHE HB3 H 1 3.457 0.030 . 2 . . . . 22 PHE HB3 . 11168 1 161 . 1 1 22 22 PHE HD1 H 1 7.226 0.030 . 1 . . . . 22 PHE HD1 . 11168 1 162 . 1 1 22 22 PHE HD2 H 1 7.226 0.030 . 1 . . . . 22 PHE HD2 . 11168 1 163 . 1 1 22 22 PHE HE1 H 1 6.797 0.030 . 1 . . . . 22 PHE HE1 . 11168 1 164 . 1 1 22 22 PHE HE2 H 1 6.797 0.030 . 1 . . . . 22 PHE HE2 . 11168 1 165 . 1 1 22 22 PHE HZ H 1 6.069 0.030 . 1 . . . . 22 PHE HZ . 11168 1 166 . 1 1 22 22 PHE C C 13 175.674 0.300 . 1 . . . . 22 PHE C . 11168 1 167 . 1 1 22 22 PHE CA C 13 56.893 0.300 . 1 . . . . 22 PHE CA . 11168 1 168 . 1 1 22 22 PHE CB C 13 43.442 0.300 . 1 . . . . 22 PHE CB . 11168 1 169 . 1 1 22 22 PHE CD1 C 13 132.404 0.300 . 1 . . . . 22 PHE CD1 . 11168 1 170 . 1 1 22 22 PHE CD2 C 13 132.404 0.300 . 1 . . . . 22 PHE CD2 . 11168 1 171 . 1 1 22 22 PHE CE1 C 13 130.649 0.300 . 1 . . . . 22 PHE CE1 . 11168 1 172 . 1 1 22 22 PHE CE2 C 13 130.649 0.300 . 1 . . . . 22 PHE CE2 . 11168 1 173 . 1 1 22 22 PHE CZ C 13 128.562 0.300 . 1 . . . . 22 PHE CZ . 11168 1 174 . 1 1 22 22 PHE N N 15 121.621 0.300 . 1 . . . . 22 PHE N . 11168 1 175 . 1 1 23 23 THR H H 1 9.513 0.030 . 1 . . . . 23 THR H . 11168 1 176 . 1 1 23 23 THR HA H 1 4.488 0.030 . 1 . . . . 23 THR HA . 11168 1 177 . 1 1 23 23 THR HB H 1 4.429 0.030 . 1 . . . . 23 THR HB . 11168 1 178 . 1 1 23 23 THR HG21 H 1 1.297 0.030 . 1 . . . . 23 THR HG2 . 11168 1 179 . 1 1 23 23 THR HG22 H 1 1.297 0.030 . 1 . . . . 23 THR HG2 . 11168 1 180 . 1 1 23 23 THR HG23 H 1 1.297 0.030 . 1 . . . . 23 THR HG2 . 11168 1 181 . 1 1 23 23 THR C C 13 174.930 0.300 . 1 . . . . 23 THR C . 11168 1 182 . 1 1 23 23 THR CA C 13 63.286 0.300 . 1 . . . . 23 THR CA . 11168 1 183 . 1 1 23 23 THR CB C 13 69.680 0.300 . 1 . . . . 23 THR CB . 11168 1 184 . 1 1 23 23 THR CG2 C 13 22.345 0.300 . 1 . . . . 23 THR CG2 . 11168 1 185 . 1 1 23 23 THR N N 15 111.594 0.300 . 1 . . . . 23 THR N . 11168 1 186 . 1 1 24 24 GLN H H 1 7.077 0.030 . 1 . . . . 24 GLN H . 11168 1 187 . 1 1 24 24 GLN HA H 1 4.488 0.030 . 1 . . . . 24 GLN HA . 11168 1 188 . 1 1 24 24 GLN HB2 H 1 0.923 0.030 . 2 . . . . 24 GLN HB2 . 11168 1 189 . 1 1 24 24 GLN HB3 H 1 1.890 0.030 . 2 . . . . 24 GLN HB3 . 11168 1 190 . 1 1 24 24 GLN HE21 H 1 6.796 0.030 . 2 . . . . 24 GLN HE21 . 11168 1 191 . 1 1 24 24 GLN HE22 H 1 7.280 0.030 . 2 . . . . 24 GLN HE22 . 11168 1 192 . 1 1 24 24 GLN HG2 H 1 2.070 0.030 . 2 . . . . 24 GLN HG2 . 11168 1 193 . 1 1 24 24 GLN HG3 H 1 1.992 0.030 . 2 . . . . 24 GLN HG3 . 11168 1 194 . 1 1 24 24 GLN C C 13 175.787 0.300 . 1 . . . . 24 GLN C . 11168 1 195 . 1 1 24 24 GLN CA C 13 53.922 0.300 . 1 . . . . 24 GLN CA . 11168 1 196 . 1 1 24 24 GLN CB C 13 31.785 0.300 . 1 . . . . 24 GLN CB . 11168 1 197 . 1 1 24 24 GLN CG C 13 33.175 0.300 . 1 . . . . 24 GLN CG . 11168 1 198 . 1 1 24 24 GLN N N 15 115.515 0.300 . 1 . . . . 24 GLN N . 11168 1 199 . 1 1 24 24 GLN NE2 N 15 111.861 0.300 . 1 . . . . 24 GLN NE2 . 11168 1 200 . 1 1 25 25 ASN HA H 1 3.546 0.030 . 1 . . . . 25 ASN HA . 11168 1 201 . 1 1 25 25 ASN HB2 H 1 2.390 0.030 . 2 . . . . 25 ASN HB2 . 11168 1 202 . 1 1 25 25 ASN HB3 H 1 2.153 0.030 . 2 . . . . 25 ASN HB3 . 11168 1 203 . 1 1 25 25 ASN HD21 H 1 7.345 0.030 . 2 . . . . 25 ASN HD21 . 11168 1 204 . 1 1 25 25 ASN HD22 H 1 6.748 0.030 . 2 . . . . 25 ASN HD22 . 11168 1 205 . 1 1 25 25 ASN CA C 13 56.172 0.300 . 1 . . . . 25 ASN CA . 11168 1 206 . 1 1 25 25 ASN CB C 13 38.273 0.300 . 1 . . . . 25 ASN CB . 11168 1 207 . 1 1 25 25 ASN ND2 N 15 112.747 0.300 . 1 . . . . 25 ASN ND2 . 11168 1 208 . 1 1 26 26 SER HA H 1 3.981 0.030 . 1 . . . . 26 SER HA . 11168 1 209 . 1 1 26 26 SER HB2 H 1 3.792 0.030 . 1 . . . . 26 SER HB2 . 11168 1 210 . 1 1 26 26 SER HB3 H 1 3.792 0.030 . 1 . . . . 26 SER HB3 . 11168 1 211 . 1 1 26 26 SER C C 13 177.082 0.300 . 1 . . . . 26 SER C . 11168 1 212 . 1 1 26 26 SER CA C 13 60.839 0.300 . 1 . . . . 26 SER CA . 11168 1 213 . 1 1 26 26 SER CB C 13 61.669 0.300 . 1 . . . . 26 SER CB . 11168 1 214 . 1 1 27 27 HIS H H 1 6.711 0.030 . 1 . . . . 27 HIS H . 11168 1 215 . 1 1 27 27 HIS HA H 1 4.358 0.030 . 1 . . . . 27 HIS HA . 11168 1 216 . 1 1 27 27 HIS HB2 H 1 3.247 0.030 . 2 . . . . 27 HIS HB2 . 11168 1 217 . 1 1 27 27 HIS HB3 H 1 3.208 0.030 . 2 . . . . 27 HIS HB3 . 11168 1 218 . 1 1 27 27 HIS HD2 H 1 6.887 0.030 . 1 . . . . 27 HIS HD2 . 11168 1 219 . 1 1 27 27 HIS HE1 H 1 7.698 0.030 . 1 . . . . 27 HIS HE1 . 11168 1 220 . 1 1 27 27 HIS C C 13 178.133 0.300 . 1 . . . . 27 HIS C . 11168 1 221 . 1 1 27 27 HIS CA C 13 57.001 0.300 . 1 . . . . 27 HIS CA . 11168 1 222 . 1 1 27 27 HIS CB C 13 31.749 0.300 . 1 . . . . 27 HIS CB . 11168 1 223 . 1 1 27 27 HIS CD2 C 13 116.641 0.300 . 1 . . . . 27 HIS CD2 . 11168 1 224 . 1 1 27 27 HIS CE1 C 13 139.116 0.300 . 1 . . . . 27 HIS CE1 . 11168 1 225 . 1 1 27 27 HIS N N 15 121.571 0.300 . 1 . . . . 27 HIS N . 11168 1 226 . 1 1 28 28 LEU H H 1 6.852 0.030 . 1 . . . . 28 LEU H . 11168 1 227 . 1 1 28 28 LEU HA H 1 3.092 0.030 . 1 . . . . 28 LEU HA . 11168 1 228 . 1 1 28 28 LEU HB2 H 1 1.132 0.030 . 2 . . . . 28 LEU HB2 . 11168 1 229 . 1 1 28 28 LEU HB3 H 1 1.950 0.030 . 2 . . . . 28 LEU HB3 . 11168 1 230 . 1 1 28 28 LEU HD11 H 1 0.937 0.030 . 1 . . . . 28 LEU HD1 . 11168 1 231 . 1 1 28 28 LEU HD12 H 1 0.937 0.030 . 1 . . . . 28 LEU HD1 . 11168 1 232 . 1 1 28 28 LEU HD13 H 1 0.937 0.030 . 1 . . . . 28 LEU HD1 . 11168 1 233 . 1 1 28 28 LEU HD21 H 1 0.989 0.030 . 1 . . . . 28 LEU HD2 . 11168 1 234 . 1 1 28 28 LEU HD22 H 1 0.989 0.030 . 1 . . . . 28 LEU HD2 . 11168 1 235 . 1 1 28 28 LEU HD23 H 1 0.989 0.030 . 1 . . . . 28 LEU HD2 . 11168 1 236 . 1 1 28 28 LEU HG H 1 1.462 0.030 . 1 . . . . 28 LEU HG . 11168 1 237 . 1 1 28 28 LEU C C 13 177.326 0.300 . 1 . . . . 28 LEU C . 11168 1 238 . 1 1 28 28 LEU CA C 13 57.540 0.300 . 1 . . . . 28 LEU CA . 11168 1 239 . 1 1 28 28 LEU CB C 13 40.398 0.300 . 1 . . . . 28 LEU CB . 11168 1 240 . 1 1 28 28 LEU CD1 C 13 22.479 0.300 . 2 . . . . 28 LEU CD1 . 11168 1 241 . 1 1 28 28 LEU CD2 C 13 26.648 0.300 . 2 . . . . 28 LEU CD2 . 11168 1 242 . 1 1 28 28 LEU CG C 13 27.487 0.300 . 1 . . . . 28 LEU CG . 11168 1 243 . 1 1 28 28 LEU N N 15 122.184 0.300 . 1 . . . . 28 LEU N . 11168 1 244 . 1 1 29 29 ALA H H 1 8.266 0.030 . 1 . . . . 29 ALA H . 11168 1 245 . 1 1 29 29 ALA HA H 1 3.876 0.030 . 1 . . . . 29 ALA HA . 11168 1 246 . 1 1 29 29 ALA HB1 H 1 1.320 0.030 . 1 . . . . 29 ALA HB . 11168 1 247 . 1 1 29 29 ALA HB2 H 1 1.320 0.030 . 1 . . . . 29 ALA HB . 11168 1 248 . 1 1 29 29 ALA HB3 H 1 1.320 0.030 . 1 . . . . 29 ALA HB . 11168 1 249 . 1 1 29 29 ALA C C 13 180.457 0.300 . 1 . . . . 29 ALA C . 11168 1 250 . 1 1 29 29 ALA CA C 13 55.308 0.300 . 1 . . . . 29 ALA CA . 11168 1 251 . 1 1 29 29 ALA CB C 13 17.696 0.300 . 1 . . . . 29 ALA CB . 11168 1 252 . 1 1 29 29 ALA N N 15 120.954 0.300 . 1 . . . . 29 ALA N . 11168 1 253 . 1 1 30 30 ARG H H 1 7.412 0.030 . 1 . . . . 30 ARG H . 11168 1 254 . 1 1 30 30 ARG HA H 1 3.993 0.030 . 1 . . . . 30 ARG HA . 11168 1 255 . 1 1 30 30 ARG HB2 H 1 1.805 0.030 . 1 . . . . 30 ARG HB2 . 11168 1 256 . 1 1 30 30 ARG HB3 H 1 1.805 0.030 . 1 . . . . 30 ARG HB3 . 11168 1 257 . 1 1 30 30 ARG HD2 H 1 3.134 0.030 . 1 . . . . 30 ARG HD2 . 11168 1 258 . 1 1 30 30 ARG HD3 H 1 3.134 0.030 . 1 . . . . 30 ARG HD3 . 11168 1 259 . 1 1 30 30 ARG HG2 H 1 1.680 0.030 . 2 . . . . 30 ARG HG2 . 11168 1 260 . 1 1 30 30 ARG HG3 H 1 1.592 0.030 . 2 . . . . 30 ARG HG3 . 11168 1 261 . 1 1 30 30 ARG C C 13 178.375 0.300 . 1 . . . . 30 ARG C . 11168 1 262 . 1 1 30 30 ARG CA C 13 58.457 0.300 . 1 . . . . 30 ARG CA . 11168 1 263 . 1 1 30 30 ARG CB C 13 30.226 0.300 . 1 . . . . 30 ARG CB . 11168 1 264 . 1 1 30 30 ARG CD C 13 43.324 0.300 . 1 . . . . 30 ARG CD . 11168 1 265 . 1 1 30 30 ARG CG C 13 27.150 0.300 . 1 . . . . 30 ARG CG . 11168 1 266 . 1 1 30 30 ARG N N 15 116.417 0.300 . 1 . . . . 30 ARG N . 11168 1 267 . 1 1 31 31 HIS H H 1 7.549 0.030 . 1 . . . . 31 HIS H . 11168 1 268 . 1 1 31 31 HIS HA H 1 4.169 0.030 . 1 . . . . 31 HIS HA . 11168 1 269 . 1 1 31 31 HIS HB2 H 1 3.115 0.030 . 2 . . . . 31 HIS HB2 . 11168 1 270 . 1 1 31 31 HIS HB3 H 1 2.845 0.030 . 2 . . . . 31 HIS HB3 . 11168 1 271 . 1 1 31 31 HIS HD2 H 1 6.915 0.030 . 1 . . . . 31 HIS HD2 . 11168 1 272 . 1 1 31 31 HIS HE1 H 1 8.024 0.030 . 1 . . . . 31 HIS HE1 . 11168 1 273 . 1 1 31 31 HIS C C 13 175.805 0.300 . 1 . . . . 31 HIS C . 11168 1 274 . 1 1 31 31 HIS CA C 13 58.777 0.300 . 1 . . . . 31 HIS CA . 11168 1 275 . 1 1 31 31 HIS CB C 13 28.687 0.300 . 1 . . . . 31 HIS CB . 11168 1 276 . 1 1 31 31 HIS CD2 C 13 127.341 0.300 . 1 . . . . 31 HIS CD2 . 11168 1 277 . 1 1 31 31 HIS CE1 C 13 139.585 0.300 . 1 . . . . 31 HIS CE1 . 11168 1 278 . 1 1 31 31 HIS N N 15 119.647 0.300 . 1 . . . . 31 HIS N . 11168 1 279 . 1 1 32 32 ARG H H 1 7.994 0.030 . 1 . . . . 32 ARG H . 11168 1 280 . 1 1 32 32 ARG HA H 1 3.707 0.030 . 1 . . . . 32 ARG HA . 11168 1 281 . 1 1 32 32 ARG HB2 H 1 1.930 0.030 . 2 . . . . 32 ARG HB2 . 11168 1 282 . 1 1 32 32 ARG HB3 H 1 1.889 0.030 . 2 . . . . 32 ARG HB3 . 11168 1 283 . 1 1 32 32 ARG HD2 H 1 3.297 0.030 . 2 . . . . 32 ARG HD2 . 11168 1 284 . 1 1 32 32 ARG HD3 H 1 3.260 0.030 . 2 . . . . 32 ARG HD3 . 11168 1 285 . 1 1 32 32 ARG HG2 H 1 1.968 0.030 . 1 . . . . 32 ARG HG2 . 11168 1 286 . 1 1 32 32 ARG HG3 H 1 1.968 0.030 . 1 . . . . 32 ARG HG3 . 11168 1 287 . 1 1 32 32 ARG C C 13 177.973 0.300 . 1 . . . . 32 ARG C . 11168 1 288 . 1 1 32 32 ARG CA C 13 59.950 0.300 . 1 . . . . 32 ARG CA . 11168 1 289 . 1 1 32 32 ARG CB C 13 29.977 0.300 . 1 . . . . 32 ARG CB . 11168 1 290 . 1 1 32 32 ARG CD C 13 43.580 0.300 . 1 . . . . 32 ARG CD . 11168 1 291 . 1 1 32 32 ARG CG C 13 28.186 0.300 . 1 . . . . 32 ARG CG . 11168 1 292 . 1 1 32 32 ARG N N 15 115.124 0.300 . 1 . . . . 32 ARG N . 11168 1 293 . 1 1 33 33 GLY H H 1 7.558 0.030 . 1 . . . . 33 GLY H . 11168 1 294 . 1 1 33 33 GLY HA2 H 1 3.946 0.030 . 2 . . . . 33 GLY HA2 . 11168 1 295 . 1 1 33 33 GLY HA3 H 1 3.823 0.030 . 2 . . . . 33 GLY HA3 . 11168 1 296 . 1 1 33 33 GLY C C 13 175.828 0.300 . 1 . . . . 33 GLY C . 11168 1 297 . 1 1 33 33 GLY CA C 13 46.472 0.300 . 1 . . . . 33 GLY CA . 11168 1 298 . 1 1 33 33 GLY N N 15 105.584 0.300 . 1 . . . . 33 GLY N . 11168 1 299 . 1 1 34 34 ILE H H 1 7.779 0.030 . 1 . . . . 34 ILE H . 11168 1 300 . 1 1 34 34 ILE HA H 1 3.981 0.030 . 1 . . . . 34 ILE HA . 11168 1 301 . 1 1 34 34 ILE HB H 1 1.595 0.030 . 1 . . . . 34 ILE HB . 11168 1 302 . 1 1 34 34 ILE HD11 H 1 0.645 0.030 . 1 . . . . 34 ILE HD1 . 11168 1 303 . 1 1 34 34 ILE HD12 H 1 0.645 0.030 . 1 . . . . 34 ILE HD1 . 11168 1 304 . 1 1 34 34 ILE HD13 H 1 0.645 0.030 . 1 . . . . 34 ILE HD1 . 11168 1 305 . 1 1 34 34 ILE HG12 H 1 0.883 0.030 . 2 . . . . 34 ILE HG12 . 11168 1 306 . 1 1 34 34 ILE HG13 H 1 0.701 0.030 . 2 . . . . 34 ILE HG13 . 11168 1 307 . 1 1 34 34 ILE HG21 H 1 0.447 0.030 . 1 . . . . 34 ILE HG2 . 11168 1 308 . 1 1 34 34 ILE HG22 H 1 0.447 0.030 . 1 . . . . 34 ILE HG2 . 11168 1 309 . 1 1 34 34 ILE HG23 H 1 0.447 0.030 . 1 . . . . 34 ILE HG2 . 11168 1 310 . 1 1 34 34 ILE C C 13 177.386 0.300 . 1 . . . . 34 ILE C . 11168 1 311 . 1 1 34 34 ILE CA C 13 62.674 0.300 . 1 . . . . 34 ILE CA . 11168 1 312 . 1 1 34 34 ILE CB C 13 37.597 0.300 . 1 . . . . 34 ILE CB . 11168 1 313 . 1 1 34 34 ILE CD1 C 13 14.256 0.300 . 1 . . . . 34 ILE CD1 . 11168 1 314 . 1 1 34 34 ILE CG1 C 13 26.791 0.300 . 1 . . . . 34 ILE CG1 . 11168 1 315 . 1 1 34 34 ILE CG2 C 13 16.481 0.300 . 1 . . . . 34 ILE CG2 . 11168 1 316 . 1 1 34 34 ILE N N 15 118.486 0.300 . 1 . . . . 34 ILE N . 11168 1 317 . 1 1 35 35 HIS H H 1 7.295 0.030 . 1 . . . . 35 HIS H . 11168 1 318 . 1 1 35 35 HIS HA H 1 4.827 0.030 . 1 . . . . 35 HIS HA . 11168 1 319 . 1 1 35 35 HIS HB2 H 1 3.302 0.030 . 2 . . . . 35 HIS HB2 . 11168 1 320 . 1 1 35 35 HIS HB3 H 1 3.140 0.030 . 2 . . . . 35 HIS HB3 . 11168 1 321 . 1 1 35 35 HIS HD2 H 1 6.704 0.030 . 1 . . . . 35 HIS HD2 . 11168 1 322 . 1 1 35 35 HIS HE1 H 1 8.012 0.030 . 1 . . . . 35 HIS HE1 . 11168 1 323 . 1 1 35 35 HIS C C 13 175.734 0.300 . 1 . . . . 35 HIS C . 11168 1 324 . 1 1 35 35 HIS CA C 13 55.211 0.300 . 1 . . . . 35 HIS CA . 11168 1 325 . 1 1 35 35 HIS CB C 13 28.608 0.300 . 1 . . . . 35 HIS CB . 11168 1 326 . 1 1 35 35 HIS CD2 C 13 127.768 0.300 . 1 . . . . 35 HIS CD2 . 11168 1 327 . 1 1 35 35 HIS CE1 C 13 139.994 0.300 . 1 . . . . 35 HIS CE1 . 11168 1 328 . 1 1 35 35 HIS N N 15 117.812 0.300 . 1 . . . . 35 HIS N . 11168 1 329 . 1 1 36 36 THR H H 1 7.770 0.030 . 1 . . . . 36 THR H . 11168 1 330 . 1 1 36 36 THR HA H 1 4.304 0.030 . 1 . . . . 36 THR HA . 11168 1 331 . 1 1 36 36 THR HB H 1 4.284 0.030 . 1 . . . . 36 THR HB . 11168 1 332 . 1 1 36 36 THR HG21 H 1 1.174 0.030 . 1 . . . . 36 THR HG2 . 11168 1 333 . 1 1 36 36 THR HG22 H 1 1.174 0.030 . 1 . . . . 36 THR HG2 . 11168 1 334 . 1 1 36 36 THR HG23 H 1 1.174 0.030 . 1 . . . . 36 THR HG2 . 11168 1 335 . 1 1 36 36 THR C C 13 175.372 0.300 . 1 . . . . 36 THR C . 11168 1 336 . 1 1 36 36 THR CA C 13 62.391 0.300 . 1 . . . . 36 THR CA . 11168 1 337 . 1 1 36 36 THR CB C 13 69.702 0.300 . 1 . . . . 36 THR CB . 11168 1 338 . 1 1 36 36 THR CG2 C 13 21.530 0.300 . 1 . . . . 36 THR CG2 . 11168 1 339 . 1 1 36 36 THR N N 15 111.980 0.300 . 1 . . . . 36 THR N . 11168 1 340 . 1 1 37 37 GLY H H 1 8.232 0.030 . 1 . . . . 37 GLY H . 11168 1 341 . 1 1 37 37 GLY HA2 H 1 3.973 0.030 . 2 . . . . 37 GLY HA2 . 11168 1 342 . 1 1 37 37 GLY HA3 H 1 3.884 0.030 . 2 . . . . 37 GLY HA3 . 11168 1 343 . 1 1 37 37 GLY C C 13 174.083 0.300 . 1 . . . . 37 GLY C . 11168 1 344 . 1 1 37 37 GLY CA C 13 45.271 0.300 . 1 . . . . 37 GLY CA . 11168 1 345 . 1 1 37 37 GLY N N 15 110.916 0.300 . 1 . . . . 37 GLY N . 11168 1 346 . 1 1 38 38 GLU H H 1 8.054 0.030 . 1 . . . . 38 GLU H . 11168 1 347 . 1 1 38 38 GLU HA H 1 4.191 0.030 . 1 . . . . 38 GLU HA . 11168 1 348 . 1 1 38 38 GLU HB2 H 1 1.932 0.030 . 2 . . . . 38 GLU HB2 . 11168 1 349 . 1 1 38 38 GLU HB3 H 1 1.844 0.030 . 2 . . . . 38 GLU HB3 . 11168 1 350 . 1 1 38 38 GLU HG2 H 1 2.207 0.030 . 2 . . . . 38 GLU HG2 . 11168 1 351 . 1 1 38 38 GLU HG3 H 1 2.153 0.030 . 2 . . . . 38 GLU HG3 . 11168 1 352 . 1 1 38 38 GLU C C 13 176.239 0.300 . 1 . . . . 38 GLU C . 11168 1 353 . 1 1 38 38 GLU CA C 13 56.379 0.300 . 1 . . . . 38 GLU CA . 11168 1 354 . 1 1 38 38 GLU CB C 13 30.434 0.300 . 1 . . . . 38 GLU CB . 11168 1 355 . 1 1 38 38 GLU CG C 13 36.176 0.300 . 1 . . . . 38 GLU CG . 11168 1 356 . 1 1 38 38 GLU N N 15 120.579 0.300 . 1 . . . . 38 GLU N . 11168 1 357 . 1 1 39 39 LYS H H 1 8.388 0.030 . 1 . . . . 39 LYS H . 11168 1 358 . 1 1 39 39 LYS HA H 1 4.547 0.030 . 1 . . . . 39 LYS HA . 11168 1 359 . 1 1 39 39 LYS HB2 H 1 1.665 0.030 . 2 . . . . 39 LYS HB2 . 11168 1 360 . 1 1 39 39 LYS HB3 H 1 1.753 0.030 . 2 . . . . 39 LYS HB3 . 11168 1 361 . 1 1 39 39 LYS HD2 H 1 1.621 0.030 . 1 . . . . 39 LYS HD2 . 11168 1 362 . 1 1 39 39 LYS HD3 H 1 1.621 0.030 . 1 . . . . 39 LYS HD3 . 11168 1 363 . 1 1 39 39 LYS HE2 H 1 2.943 0.030 . 1 . . . . 39 LYS HE2 . 11168 1 364 . 1 1 39 39 LYS HE3 H 1 2.943 0.030 . 1 . . . . 39 LYS HE3 . 11168 1 365 . 1 1 39 39 LYS HG2 H 1 1.405 0.030 . 1 . . . . 39 LYS HG2 . 11168 1 366 . 1 1 39 39 LYS HG3 H 1 1.405 0.030 . 1 . . . . 39 LYS HG3 . 11168 1 367 . 1 1 39 39 LYS C C 13 174.466 0.300 . 1 . . . . 39 LYS C . 11168 1 368 . 1 1 39 39 LYS CA C 13 54.062 0.300 . 1 . . . . 39 LYS CA . 11168 1 369 . 1 1 39 39 LYS CB C 13 32.416 0.300 . 1 . . . . 39 LYS CB . 11168 1 370 . 1 1 39 39 LYS CD C 13 29.213 0.300 . 1 . . . . 39 LYS CD . 11168 1 371 . 1 1 39 39 LYS CE C 13 42.191 0.300 . 1 . . . . 39 LYS CE . 11168 1 372 . 1 1 39 39 LYS CG C 13 24.423 0.300 . 1 . . . . 39 LYS CG . 11168 1 373 . 1 1 39 39 LYS N N 15 123.877 0.300 . 1 . . . . 39 LYS N . 11168 1 374 . 1 1 40 40 PRO HA H 1 4.412 0.030 . 1 . . . . 40 PRO HA . 11168 1 375 . 1 1 40 40 PRO HB2 H 1 1.881 0.030 . 2 . . . . 40 PRO HB2 . 11168 1 376 . 1 1 40 40 PRO HB3 H 1 2.244 0.030 . 2 . . . . 40 PRO HB3 . 11168 1 377 . 1 1 40 40 PRO HD2 H 1 3.768 0.030 . 2 . . . . 40 PRO HD2 . 11168 1 378 . 1 1 40 40 PRO HD3 H 1 3.585 0.030 . 2 . . . . 40 PRO HD3 . 11168 1 379 . 1 1 40 40 PRO HG2 H 1 1.954 0.030 . 1 . . . . 40 PRO HG2 . 11168 1 380 . 1 1 40 40 PRO HG3 H 1 1.954 0.030 . 1 . . . . 40 PRO HG3 . 11168 1 381 . 1 1 40 40 PRO CA C 13 63.167 0.300 . 1 . . . . 40 PRO CA . 11168 1 382 . 1 1 40 40 PRO CB C 13 32.157 0.300 . 1 . . . . 40 PRO CB . 11168 1 383 . 1 1 40 40 PRO CD C 13 50.641 0.300 . 1 . . . . 40 PRO CD . 11168 1 384 . 1 1 40 40 PRO CG C 13 27.180 0.300 . 1 . . . . 40 PRO CG . 11168 1 385 . 1 1 42 42 GLY HA2 H 1 4.097 0.030 . 2 . . . . 42 GLY HA2 . 11168 1 386 . 1 1 42 42 GLY HA3 H 1 4.051 0.030 . 2 . . . . 42 GLY HA3 . 11168 1 387 . 1 1 42 42 GLY CA C 13 44.661 0.300 . 1 . . . . 42 GLY CA . 11168 1 388 . 1 1 43 43 PRO HA H 1 4.416 0.030 . 1 . . . . 43 PRO HA . 11168 1 389 . 1 1 43 43 PRO HB2 H 1 2.242 0.030 . 2 . . . . 43 PRO HB2 . 11168 1 390 . 1 1 43 43 PRO HB3 H 1 1.882 0.030 . 2 . . . . 43 PRO HB3 . 11168 1 391 . 1 1 43 43 PRO HD2 H 1 3.566 0.030 . 1 . . . . 43 PRO HD2 . 11168 1 392 . 1 1 43 43 PRO HD3 H 1 3.566 0.030 . 1 . . . . 43 PRO HD3 . 11168 1 393 . 1 1 43 43 PRO HG2 H 1 1.985 0.030 . 2 . . . . 43 PRO HG2 . 11168 1 394 . 1 1 43 43 PRO HG3 H 1 1.930 0.030 . 2 . . . . 43 PRO HG3 . 11168 1 395 . 1 1 43 43 PRO CA C 13 63.092 0.300 . 1 . . . . 43 PRO CA . 11168 1 396 . 1 1 43 43 PRO CB C 13 32.148 0.300 . 1 . . . . 43 PRO CB . 11168 1 397 . 1 1 43 43 PRO CD C 13 49.738 0.300 . 1 . . . . 43 PRO CD . 11168 1 398 . 1 1 43 43 PRO CG C 13 27.389 0.300 . 1 . . . . 43 PRO CG . 11168 1 stop_ save_