################################### # 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 10173 _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 10173 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10173 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY CA C 13 45.404 0.300 . 1 . . . . 7 GLY CA . 10173 1 2 . 1 1 7 7 GLY HA3 H 1 4.019 0.030 . 1 . . . . 7 GLY HA3 . 10173 1 3 . 1 1 7 7 GLY C C 13 174.534 0.300 . 1 . . . . 7 GLY C . 10173 1 4 . 1 1 7 7 GLY HA2 H 1 4.019 0.030 . 1 . . . . 7 GLY HA2 . 10173 1 5 . 1 1 8 8 THR N N 15 112.887 0.300 . 1 . . . . 8 THR N . 10173 1 6 . 1 1 8 8 THR H H 1 8.161 0.030 . 1 . . . . 8 THR H . 10173 1 7 . 1 1 8 8 THR CA C 13 61.885 0.300 . 1 . . . . 8 THR CA . 10173 1 8 . 1 1 8 8 THR HA H 1 4.366 0.030 . 1 . . . . 8 THR HA . 10173 1 9 . 1 1 8 8 THR CB C 13 69.813 0.300 . 1 . . . . 8 THR CB . 10173 1 10 . 1 1 8 8 THR HB H 1 4.293 0.030 . 1 . . . . 8 THR HB . 10173 1 11 . 1 1 8 8 THR CG2 C 13 21.567 0.300 . 1 . . . . 8 THR CG2 . 10173 1 12 . 1 1 8 8 THR HG21 H 1 1.199 0.030 . 1 . . . . 8 THR HG2 . 10173 1 13 . 1 1 8 8 THR HG22 H 1 1.199 0.030 . 1 . . . . 8 THR HG2 . 10173 1 14 . 1 1 8 8 THR HG23 H 1 1.199 0.030 . 1 . . . . 8 THR HG2 . 10173 1 15 . 1 1 8 8 THR C C 13 175.242 0.300 . 1 . . . . 8 THR C . 10173 1 16 . 1 1 9 9 GLY N N 15 110.959 0.300 . 1 . . . . 9 GLY N . 10173 1 17 . 1 1 9 9 GLY H H 1 8.457 0.030 . 1 . . . . 9 GLY H . 10173 1 18 . 1 1 9 9 GLY CA C 13 45.259 0.300 . 1 . . . . 9 GLY CA . 10173 1 19 . 1 1 9 9 GLY HA3 H 1 3.931 0.030 . 1 . . . . 9 GLY HA3 . 10173 1 20 . 1 1 9 9 GLY C C 13 174.041 0.300 . 1 . . . . 9 GLY C . 10173 1 21 . 1 1 9 9 GLY HA2 H 1 3.931 0.030 . 1 . . . . 9 GLY HA2 . 10173 1 22 . 1 1 10 10 GLU N N 15 120.453 0.300 . 1 . . . . 10 GLU N . 10173 1 23 . 1 1 10 10 GLU H H 1 8.222 0.030 . 1 . . . . 10 GLU H . 10173 1 24 . 1 1 10 10 GLU CA C 13 56.686 0.300 . 1 . . . . 10 GLU CA . 10173 1 25 . 1 1 10 10 GLU HA H 1 4.229 0.030 . 1 . . . . 10 GLU HA . 10173 1 26 . 1 1 10 10 GLU CB C 13 30.533 0.300 . 1 . . . . 10 GLU CB . 10173 1 27 . 1 1 10 10 GLU HB3 H 1 1.901 0.030 . 2 . . . . 10 GLU HB3 . 10173 1 28 . 1 1 10 10 GLU CG C 13 36.299 0.300 . 1 . . . . 10 GLU CG . 10173 1 29 . 1 1 10 10 GLU HG3 H 1 2.214 0.030 . 2 . . . . 10 GLU HG3 . 10173 1 30 . 1 1 10 10 GLU C C 13 176.213 0.300 . 1 . . . . 10 GLU C . 10173 1 31 . 1 1 10 10 GLU HB2 H 1 2.002 0.030 . 2 . . . . 10 GLU HB2 . 10173 1 32 . 1 1 10 10 GLU HG2 H 1 2.267 0.030 . 2 . . . . 10 GLU HG2 . 10173 1 33 . 1 1 11 11 LYS N N 15 122.472 0.300 . 1 . . . . 11 LYS N . 10173 1 34 . 1 1 11 11 LYS H H 1 8.251 0.030 . 1 . . . . 11 LYS H . 10173 1 35 . 1 1 11 11 LYS CA C 13 53.888 0.300 . 1 . . . . 11 LYS CA . 10173 1 36 . 1 1 11 11 LYS HA H 1 4.524 0.030 . 1 . . . . 11 LYS HA . 10173 1 37 . 1 1 11 11 LYS CB C 13 32.818 0.300 . 1 . . . . 11 LYS CB . 10173 1 38 . 1 1 11 11 LYS HB3 H 1 1.575 0.030 . 2 . . . . 11 LYS HB3 . 10173 1 39 . 1 1 11 11 LYS CG C 13 24.803 0.300 . 1 . . . . 11 LYS CG . 10173 1 40 . 1 1 11 11 LYS HG3 H 1 1.326 0.030 . 2 . . . . 11 LYS HG3 . 10173 1 41 . 1 1 11 11 LYS CD C 13 29.560 0.300 . 1 . . . . 11 LYS CD . 10173 1 42 . 1 1 11 11 LYS HD3 H 1 1.564 0.030 . 1 . . . . 11 LYS HD3 . 10173 1 43 . 1 1 11 11 LYS CE C 13 42.041 0.300 . 1 . . . . 11 LYS CE . 10173 1 44 . 1 1 11 11 LYS HE3 H 1 2.913 0.030 . 1 . . . . 11 LYS HE3 . 10173 1 45 . 1 1 11 11 LYS C C 13 173.839 0.300 . 1 . . . . 11 LYS C . 10173 1 46 . 1 1 11 11 LYS HB2 H 1 1.599 0.030 . 2 . . . . 11 LYS HB2 . 10173 1 47 . 1 1 11 11 LYS HD2 H 1 1.564 0.030 . 1 . . . . 11 LYS HD2 . 10173 1 48 . 1 1 11 11 LYS HE2 H 1 2.913 0.030 . 1 . . . . 11 LYS HE2 . 10173 1 49 . 1 1 11 11 LYS HG2 H 1 1.195 0.030 . 2 . . . . 11 LYS HG2 . 10173 1 50 . 1 1 12 12 PRO CA C 13 62.929 0.300 . 1 . . . . 12 PRO CA . 10173 1 51 . 1 1 12 12 PRO HA H 1 4.338 0.030 . 1 . . . . 12 PRO HA . 10173 1 52 . 1 1 12 12 PRO CB C 13 32.388 0.300 . 1 . . . . 12 PRO CB . 10173 1 53 . 1 1 12 12 PRO HB3 H 1 2.038 0.030 . 2 . . . . 12 PRO HB3 . 10173 1 54 . 1 1 12 12 PRO CG C 13 26.737 0.300 . 1 . . . . 12 PRO CG . 10173 1 55 . 1 1 12 12 PRO HG3 H 1 1.685 0.030 . 2 . . . . 12 PRO HG3 . 10173 1 56 . 1 1 12 12 PRO CD C 13 50.187 0.300 . 1 . . . . 12 PRO CD . 10173 1 57 . 1 1 12 12 PRO HD3 H 1 3.556 0.030 . 2 . . . . 12 PRO HD3 . 10173 1 58 . 1 1 12 12 PRO C C 13 176.346 0.300 . 1 . . . . 12 PRO C . 10173 1 59 . 1 1 12 12 PRO HB2 H 1 1.488 0.030 . 2 . . . . 12 PRO HB2 . 10173 1 60 . 1 1 12 12 PRO HD2 H 1 3.637 0.030 . 2 . . . . 12 PRO HD2 . 10173 1 61 . 1 1 12 12 PRO HG2 H 1 1.852 0.030 . 2 . . . . 12 PRO HG2 . 10173 1 62 . 1 1 13 13 TYR N N 15 119.836 0.300 . 1 . . . . 13 TYR N . 10173 1 63 . 1 1 13 13 TYR H H 1 8.099 0.030 . 1 . . . . 13 TYR H . 10173 1 64 . 1 1 13 13 TYR CA C 13 57.638 0.300 . 1 . . . . 13 TYR CA . 10173 1 65 . 1 1 13 13 TYR HA H 1 4.565 0.030 . 1 . . . . 13 TYR HA . 10173 1 66 . 1 1 13 13 TYR CB C 13 38.246 0.300 . 1 . . . . 13 TYR CB . 10173 1 67 . 1 1 13 13 TYR HB3 H 1 2.866 0.030 . 2 . . . . 13 TYR HB3 . 10173 1 68 . 1 1 13 13 TYR CD1 C 13 133.205 0.300 . 1 . . . . 13 TYR CD1 . 10173 1 69 . 1 1 13 13 TYR HD1 H 1 6.986 0.030 . 1 . . . . 13 TYR HD1 . 10173 1 70 . 1 1 13 13 TYR CD2 C 13 133.205 0.300 . 1 . . . . 13 TYR CD2 . 10173 1 71 . 1 1 13 13 TYR HD2 H 1 6.986 0.030 . 1 . . . . 13 TYR HD2 . 10173 1 72 . 1 1 13 13 TYR CE1 C 13 118.406 0.300 . 1 . . . . 13 TYR CE1 . 10173 1 73 . 1 1 13 13 TYR HE1 H 1 6.828 0.030 . 1 . . . . 13 TYR HE1 . 10173 1 74 . 1 1 13 13 TYR CE2 C 13 118.406 0.300 . 1 . . . . 13 TYR CE2 . 10173 1 75 . 1 1 13 13 TYR HE2 H 1 6.828 0.030 . 1 . . . . 13 TYR HE2 . 10173 1 76 . 1 1 13 13 TYR C C 13 174.063 0.300 . 1 . . . . 13 TYR C . 10173 1 77 . 1 1 13 13 TYR HB2 H 1 2.930 0.030 . 2 . . . . 13 TYR HB2 . 10173 1 78 . 1 1 14 14 LYS N N 15 125.222 0.300 . 1 . . . . 14 LYS N . 10173 1 79 . 1 1 14 14 LYS H H 1 8.437 0.030 . 1 . . . . 14 LYS H . 10173 1 80 . 1 1 14 14 LYS CA C 13 54.846 0.300 . 1 . . . . 14 LYS CA . 10173 1 81 . 1 1 14 14 LYS HA H 1 5.044 0.030 . 1 . . . . 14 LYS HA . 10173 1 82 . 1 1 14 14 LYS CB C 13 36.065 0.300 . 1 . . . . 14 LYS CB . 10173 1 83 . 1 1 14 14 LYS HB3 H 1 1.489 0.030 . 2 . . . . 14 LYS HB3 . 10173 1 84 . 1 1 14 14 LYS CG C 13 24.400 0.300 . 1 . . . . 14 LYS CG . 10173 1 85 . 1 1 14 14 LYS HG3 H 1 1.057 0.030 . 2 . . . . 14 LYS HG3 . 10173 1 86 . 1 1 14 14 LYS CD C 13 29.591 0.300 . 1 . . . . 14 LYS CD . 10173 1 87 . 1 1 14 14 LYS HD3 H 1 1.565 0.030 . 1 . . . . 14 LYS HD3 . 10173 1 88 . 1 1 14 14 LYS CE C 13 42.008 0.300 . 1 . . . . 14 LYS CE . 10173 1 89 . 1 1 14 14 LYS HE3 H 1 2.914 0.030 . 1 . . . . 14 LYS HE3 . 10173 1 90 . 1 1 14 14 LYS C C 13 174.999 0.300 . 1 . . . . 14 LYS C . 10173 1 91 . 1 1 14 14 LYS HB2 H 1 1.728 0.030 . 2 . . . . 14 LYS HB2 . 10173 1 92 . 1 1 14 14 LYS HD2 H 1 1.565 0.030 . 1 . . . . 14 LYS HD2 . 10173 1 93 . 1 1 14 14 LYS HE2 H 1 2.914 0.030 . 1 . . . . 14 LYS HE2 . 10173 1 94 . 1 1 14 14 LYS HG2 H 1 1.134 0.030 . 2 . . . . 14 LYS HG2 . 10173 1 95 . 1 1 15 15 CYS N N 15 127.756 0.300 . 1 . . . . 15 CYS N . 10173 1 96 . 1 1 15 15 CYS H H 1 9.327 0.030 . 1 . . . . 15 CYS H . 10173 1 97 . 1 1 15 15 CYS CA C 13 59.366 0.300 . 1 . . . . 15 CYS CA . 10173 1 98 . 1 1 15 15 CYS HA H 1 4.576 0.030 . 1 . . . . 15 CYS HA . 10173 1 99 . 1 1 15 15 CYS CB C 13 29.545 0.300 . 1 . . . . 15 CYS CB . 10173 1 100 . 1 1 15 15 CYS HB3 H 1 3.407 0.030 . 2 . . . . 15 CYS HB3 . 10173 1 101 . 1 1 15 15 CYS C C 13 176.864 0.300 . 1 . . . . 15 CYS C . 10173 1 102 . 1 1 15 15 CYS HB2 H 1 2.863 0.030 . 2 . . . . 15 CYS HB2 . 10173 1 103 . 1 1 16 16 ASN N N 15 130.374 0.300 . 1 . . . . 16 ASN N . 10173 1 104 . 1 1 16 16 ASN H H 1 9.432 0.030 . 1 . . . . 16 ASN H . 10173 1 105 . 1 1 16 16 ASN CA C 13 55.639 0.300 . 1 . . . . 16 ASN CA . 10173 1 106 . 1 1 16 16 ASN HA H 1 4.517 0.030 . 1 . . . . 16 ASN HA . 10173 1 107 . 1 1 16 16 ASN CB C 13 38.395 0.300 . 1 . . . . 16 ASN CB . 10173 1 108 . 1 1 16 16 ASN HB3 H 1 2.878 0.030 . 1 . . . . 16 ASN HB3 . 10173 1 109 . 1 1 16 16 ASN ND2 N 15 113.465 0.300 . 1 . . . . 16 ASN ND2 . 10173 1 110 . 1 1 16 16 ASN HD21 H 1 7.693 0.030 . 2 . . . . 16 ASN HD21 . 10173 1 111 . 1 1 16 16 ASN HD22 H 1 6.979 0.030 . 2 . . . . 16 ASN HD22 . 10173 1 112 . 1 1 16 16 ASN C C 13 175.480 0.300 . 1 . . . . 16 ASN C . 10173 1 113 . 1 1 16 16 ASN HB2 H 1 2.878 0.030 . 1 . . . . 16 ASN HB2 . 10173 1 114 . 1 1 17 17 GLU N N 15 120.722 0.300 . 1 . . . . 17 GLU N . 10173 1 115 . 1 1 17 17 GLU H H 1 8.665 0.030 . 1 . . . . 17 GLU H . 10173 1 116 . 1 1 17 17 GLU CA C 13 58.443 0.300 . 1 . . . . 17 GLU CA . 10173 1 117 . 1 1 17 17 GLU HA H 1 4.213 0.030 . 1 . . . . 17 GLU HA . 10173 1 118 . 1 1 17 17 GLU CB C 13 29.431 0.300 . 1 . . . . 17 GLU CB . 10173 1 119 . 1 1 17 17 GLU HB3 H 1 1.342 0.030 . 1 . . . . 17 GLU HB3 . 10173 1 120 . 1 1 17 17 GLU CG C 13 35.742 0.300 . 1 . . . . 17 GLU CG . 10173 1 121 . 1 1 17 17 GLU HG3 H 1 1.891 0.030 . 2 . . . . 17 GLU HG3 . 10173 1 122 . 1 1 17 17 GLU C C 13 177.092 0.300 . 1 . . . . 17 GLU C . 10173 1 123 . 1 1 17 17 GLU HB2 H 1 1.342 0.030 . 1 . . . . 17 GLU HB2 . 10173 1 124 . 1 1 17 17 GLU HG2 H 1 1.789 0.030 . 2 . . . . 17 GLU HG2 . 10173 1 125 . 1 1 18 18 CYS N N 15 114.544 0.300 . 1 . . . . 18 CYS N . 10173 1 126 . 1 1 18 18 CYS H H 1 7.925 0.030 . 1 . . . . 18 CYS H . 10173 1 127 . 1 1 18 18 CYS CA C 13 58.372 0.300 . 1 . . . . 18 CYS CA . 10173 1 128 . 1 1 18 18 CYS HA H 1 5.179 0.030 . 1 . . . . 18 CYS HA . 10173 1 129 . 1 1 18 18 CYS CB C 13 32.404 0.300 . 1 . . . . 18 CYS CB . 10173 1 130 . 1 1 18 18 CYS HB3 H 1 3.444 0.030 . 2 . . . . 18 CYS HB3 . 10173 1 131 . 1 1 18 18 CYS C C 13 176.255 0.300 . 1 . . . . 18 CYS C . 10173 1 132 . 1 1 18 18 CYS HB2 H 1 2.885 0.030 . 2 . . . . 18 CYS HB2 . 10173 1 133 . 1 1 19 19 GLY N N 15 113.579 0.300 . 1 . . . . 19 GLY N . 10173 1 134 . 1 1 19 19 GLY H H 1 8.223 0.030 . 1 . . . . 19 GLY H . 10173 1 135 . 1 1 19 19 GLY CA C 13 46.317 0.300 . 1 . . . . 19 GLY CA . 10173 1 136 . 1 1 19 19 GLY HA3 H 1 4.247 0.030 . 2 . . . . 19 GLY HA3 . 10173 1 137 . 1 1 19 19 GLY C C 13 173.572 0.300 . 1 . . . . 19 GLY C . 10173 1 138 . 1 1 19 19 GLY HA2 H 1 3.732 0.030 . 2 . . . . 19 GLY HA2 . 10173 1 139 . 1 1 20 20 LYS N N 15 122.482 0.300 . 1 . . . . 20 LYS N . 10173 1 140 . 1 1 20 20 LYS H H 1 7.873 0.030 . 1 . . . . 20 LYS H . 10173 1 141 . 1 1 20 20 LYS CA C 13 58.246 0.300 . 1 . . . . 20 LYS CA . 10173 1 142 . 1 1 20 20 LYS HA H 1 4.002 0.030 . 1 . . . . 20 LYS HA . 10173 1 143 . 1 1 20 20 LYS CB C 13 33.912 0.300 . 1 . . . . 20 LYS CB . 10173 1 144 . 1 1 20 20 LYS HB3 H 1 1.226 0.030 . 2 . . . . 20 LYS HB3 . 10173 1 145 . 1 1 20 20 LYS CG C 13 26.537 0.300 . 1 . . . . 20 LYS CG . 10173 1 146 . 1 1 20 20 LYS HG3 H 1 1.493 0.030 . 2 . . . . 20 LYS HG3 . 10173 1 147 . 1 1 20 20 LYS CD C 13 29.329 0.300 . 1 . . . . 20 LYS CD . 10173 1 148 . 1 1 20 20 LYS HD3 H 1 1.470 0.030 . 2 . . . . 20 LYS HD3 . 10173 1 149 . 1 1 20 20 LYS CE C 13 42.267 0.300 . 1 . . . . 20 LYS CE . 10173 1 150 . 1 1 20 20 LYS HE3 H 1 2.995 0.030 . 1 . . . . 20 LYS HE3 . 10173 1 151 . 1 1 20 20 LYS C C 13 174.324 0.300 . 1 . . . . 20 LYS C . 10173 1 152 . 1 1 20 20 LYS HB2 H 1 1.375 0.030 . 2 . . . . 20 LYS HB2 . 10173 1 153 . 1 1 20 20 LYS HD2 H 1 1.509 0.030 . 2 . . . . 20 LYS HD2 . 10173 1 154 . 1 1 20 20 LYS HE2 H 1 2.995 0.030 . 1 . . . . 20 LYS HE2 . 10173 1 155 . 1 1 20 20 LYS HG2 H 1 1.102 0.030 . 2 . . . . 20 LYS HG2 . 10173 1 156 . 1 1 21 21 VAL N N 15 116.394 0.300 . 1 . . . . 21 VAL N . 10173 1 157 . 1 1 21 21 VAL H H 1 7.573 0.030 . 1 . . . . 21 VAL H . 10173 1 158 . 1 1 21 21 VAL CA C 13 60.262 0.300 . 1 . . . . 21 VAL CA . 10173 1 159 . 1 1 21 21 VAL HA H 1 4.816 0.030 . 1 . . . . 21 VAL HA . 10173 1 160 . 1 1 21 21 VAL CB C 13 33.936 0.300 . 1 . . . . 21 VAL CB . 10173 1 161 . 1 1 21 21 VAL HB H 1 1.868 0.030 . 1 . . . . 21 VAL HB . 10173 1 162 . 1 1 21 21 VAL CG1 C 13 21.926 0.300 . 2 . . . . 21 VAL CG1 . 10173 1 163 . 1 1 21 21 VAL HG11 H 1 0.811 0.030 . 1 . . . . 21 VAL HG1 . 10173 1 164 . 1 1 21 21 VAL HG12 H 1 0.811 0.030 . 1 . . . . 21 VAL HG1 . 10173 1 165 . 1 1 21 21 VAL HG13 H 1 0.811 0.030 . 1 . . . . 21 VAL HG1 . 10173 1 166 . 1 1 21 21 VAL CG2 C 13 20.205 0.300 . 2 . . . . 21 VAL CG2 . 10173 1 167 . 1 1 21 21 VAL HG21 H 1 0.799 0.030 . 1 . . . . 21 VAL HG2 . 10173 1 168 . 1 1 21 21 VAL HG22 H 1 0.799 0.030 . 1 . . . . 21 VAL HG2 . 10173 1 169 . 1 1 21 21 VAL HG23 H 1 0.799 0.030 . 1 . . . . 21 VAL HG2 . 10173 1 170 . 1 1 21 21 VAL C C 13 175.317 0.300 . 1 . . . . 21 VAL C . 10173 1 171 . 1 1 22 22 PHE N N 15 120.431 0.300 . 1 . . . . 22 PHE N . 10173 1 172 . 1 1 22 22 PHE H H 1 8.792 0.030 . 1 . . . . 22 PHE H . 10173 1 173 . 1 1 22 22 PHE CA C 13 56.890 0.300 . 1 . . . . 22 PHE CA . 10173 1 174 . 1 1 22 22 PHE HA H 1 4.824 0.030 . 1 . . . . 22 PHE HA . 10173 1 175 . 1 1 22 22 PHE CB C 13 44.119 0.300 . 1 . . . . 22 PHE CB . 10173 1 176 . 1 1 22 22 PHE HB3 H 1 2.765 0.030 . 2 . . . . 22 PHE HB3 . 10173 1 177 . 1 1 22 22 PHE CD1 C 13 132.373 0.300 . 1 . . . . 22 PHE CD1 . 10173 1 178 . 1 1 22 22 PHE HD1 H 1 7.288 0.030 . 1 . . . . 22 PHE HD1 . 10173 1 179 . 1 1 22 22 PHE CD2 C 13 132.373 0.300 . 1 . . . . 22 PHE CD2 . 10173 1 180 . 1 1 22 22 PHE HD2 H 1 7.288 0.030 . 1 . . . . 22 PHE HD2 . 10173 1 181 . 1 1 22 22 PHE CE1 C 13 130.752 0.300 . 1 . . . . 22 PHE CE1 . 10173 1 182 . 1 1 22 22 PHE HE1 H 1 6.878 0.030 . 1 . . . . 22 PHE HE1 . 10173 1 183 . 1 1 22 22 PHE CE2 C 13 130.752 0.300 . 1 . . . . 22 PHE CE2 . 10173 1 184 . 1 1 22 22 PHE HE2 H 1 6.878 0.030 . 1 . . . . 22 PHE HE2 . 10173 1 185 . 1 1 22 22 PHE CZ C 13 128.899 0.300 . 1 . . . . 22 PHE CZ . 10173 1 186 . 1 1 22 22 PHE HZ H 1 6.193 0.030 . 1 . . . . 22 PHE HZ . 10173 1 187 . 1 1 22 22 PHE C C 13 175.683 0.300 . 1 . . . . 22 PHE C . 10173 1 188 . 1 1 22 22 PHE HB2 H 1 3.406 0.030 . 2 . . . . 22 PHE HB2 . 10173 1 189 . 1 1 23 23 ARG N N 15 119.340 0.300 . 1 . . . . 23 ARG N . 10173 1 190 . 1 1 23 23 ARG H H 1 9.329 0.030 . 1 . . . . 23 ARG H . 10173 1 191 . 1 1 23 23 ARG CA C 13 57.346 0.300 . 1 . . . . 23 ARG CA . 10173 1 192 . 1 1 23 23 ARG HA H 1 4.466 0.030 . 1 . . . . 23 ARG HA . 10173 1 193 . 1 1 23 23 ARG CB C 13 31.371 0.300 . 1 . . . . 23 ARG CB . 10173 1 194 . 1 1 23 23 ARG HB3 H 1 1.837 0.030 . 1 . . . . 23 ARG HB3 . 10173 1 195 . 1 1 23 23 ARG CG C 13 27.469 0.300 . 1 . . . . 23 ARG CG . 10173 1 196 . 1 1 23 23 ARG HG3 H 1 1.554 0.030 . 2 . . . . 23 ARG HG3 . 10173 1 197 . 1 1 23 23 ARG CD C 13 43.218 0.300 . 1 . . . . 23 ARG CD . 10173 1 198 . 1 1 23 23 ARG HD3 H 1 3.210 0.030 . 1 . . . . 23 ARG HD3 . 10173 1 199 . 1 1 23 23 ARG C C 13 175.065 0.300 . 1 . . . . 23 ARG C . 10173 1 200 . 1 1 23 23 ARG HB2 H 1 1.837 0.030 . 1 . . . . 23 ARG HB2 . 10173 1 201 . 1 1 23 23 ARG HD2 H 1 3.210 0.030 . 1 . . . . 23 ARG HD2 . 10173 1 202 . 1 1 23 23 ARG HG2 H 1 1.634 0.030 . 2 . . . . 23 ARG HG2 . 10173 1 203 . 1 1 24 24 HIS N N 15 113.216 0.300 . 1 . . . . 24 HIS N . 10173 1 204 . 1 1 24 24 HIS H H 1 7.128 0.030 . 1 . . . . 24 HIS H . 10173 1 205 . 1 1 24 24 HIS CA C 13 55.437 0.300 . 1 . . . . 24 HIS CA . 10173 1 206 . 1 1 24 24 HIS HA H 1 4.657 0.030 . 1 . . . . 24 HIS HA . 10173 1 207 . 1 1 24 24 HIS CB C 13 34.517 0.300 . 1 . . . . 24 HIS CB . 10173 1 208 . 1 1 24 24 HIS HB3 H 1 2.554 0.030 . 2 . . . . 24 HIS HB3 . 10173 1 209 . 1 1 24 24 HIS CD2 C 13 119.601 0.300 . 1 . . . . 24 HIS CD2 . 10173 1 210 . 1 1 24 24 HIS HD2 H 1 6.912 0.030 . 1 . . . . 24 HIS HD2 . 10173 1 211 . 1 1 24 24 HIS CE1 C 13 139.000 0.300 . 1 . . . . 24 HIS CE1 . 10173 1 212 . 1 1 24 24 HIS HE1 H 1 7.723 0.030 . 1 . . . . 24 HIS HE1 . 10173 1 213 . 1 1 24 24 HIS C C 13 175.558 0.300 . 1 . . . . 24 HIS C . 10173 1 214 . 1 1 24 24 HIS HB2 H 1 2.737 0.030 . 2 . . . . 24 HIS HB2 . 10173 1 215 . 1 1 25 25 ASN CA C 13 56.177 0.300 . 1 . . . . 25 ASN CA . 10173 1 216 . 1 1 25 25 ASN HA H 1 3.662 0.030 . 1 . . . . 25 ASN HA . 10173 1 217 . 1 1 25 25 ASN CB C 13 38.311 0.300 . 1 . . . . 25 ASN CB . 10173 1 218 . 1 1 25 25 ASN HB3 H 1 2.165 0.030 . 2 . . . . 25 ASN HB3 . 10173 1 219 . 1 1 25 25 ASN ND2 N 15 112.807 0.300 . 1 . . . . 25 ASN ND2 . 10173 1 220 . 1 1 25 25 ASN HD21 H 1 7.360 0.030 . 2 . . . . 25 ASN HD21 . 10173 1 221 . 1 1 25 25 ASN HD22 H 1 6.803 0.030 . 2 . . . . 25 ASN HD22 . 10173 1 222 . 1 1 25 25 ASN HB2 H 1 2.334 0.030 . 2 . . . . 25 ASN HB2 . 10173 1 223 . 1 1 26 26 SER CA C 13 61.298 0.300 . 1 . . . . 26 SER CA . 10173 1 224 . 1 1 26 26 SER HA H 1 4.085 0.030 . 1 . . . . 26 SER HA . 10173 1 225 . 1 1 26 26 SER CB C 13 61.728 0.300 . 1 . . . . 26 SER CB . 10173 1 226 . 1 1 26 26 SER HB3 H 1 3.755 0.030 . 2 . . . . 26 SER HB3 . 10173 1 227 . 1 1 26 26 SER C C 13 177.140 0.300 . 1 . . . . 26 SER C . 10173 1 228 . 1 1 26 26 SER HB2 H 1 3.882 0.030 . 2 . . . . 26 SER HB2 . 10173 1 229 . 1 1 27 27 TYR N N 15 121.463 0.300 . 1 . . . . 27 TYR N . 10173 1 230 . 1 1 27 27 TYR H H 1 6.951 0.030 . 1 . . . . 27 TYR H . 10173 1 231 . 1 1 27 27 TYR CA C 13 58.633 0.300 . 1 . . . . 27 TYR CA . 10173 1 232 . 1 1 27 27 TYR HA H 1 4.342 0.030 . 1 . . . . 27 TYR HA . 10173 1 233 . 1 1 27 27 TYR CB C 13 37.464 0.300 . 1 . . . . 27 TYR CB . 10173 1 234 . 1 1 27 27 TYR HB3 H 1 3.212 0.030 . 2 . . . . 27 TYR HB3 . 10173 1 235 . 1 1 27 27 TYR CD1 C 13 132.208 0.300 . 1 . . . . 27 TYR CD1 . 10173 1 236 . 1 1 27 27 TYR HD1 H 1 7.282 0.030 . 1 . . . . 27 TYR HD1 . 10173 1 237 . 1 1 27 27 TYR CD2 C 13 132.208 0.300 . 1 . . . . 27 TYR CD2 . 10173 1 238 . 1 1 27 27 TYR HD2 H 1 7.282 0.030 . 1 . . . . 27 TYR HD2 . 10173 1 239 . 1 1 27 27 TYR CE1 C 13 118.727 0.300 . 1 . . . . 27 TYR CE1 . 10173 1 240 . 1 1 27 27 TYR HE1 H 1 6.882 0.030 . 1 . . . . 27 TYR HE1 . 10173 1 241 . 1 1 27 27 TYR CE2 C 13 118.727 0.300 . 1 . . . . 27 TYR CE2 . 10173 1 242 . 1 1 27 27 TYR HE2 H 1 6.882 0.030 . 1 . . . . 27 TYR HE2 . 10173 1 243 . 1 1 27 27 TYR C C 13 178.472 0.300 . 1 . . . . 27 TYR C . 10173 1 244 . 1 1 27 27 TYR HB2 H 1 3.299 0.030 . 2 . . . . 27 TYR HB2 . 10173 1 245 . 1 1 28 28 LEU N N 15 122.153 0.300 . 1 . . . . 28 LEU N . 10173 1 246 . 1 1 28 28 LEU H H 1 7.064 0.030 . 1 . . . . 28 LEU H . 10173 1 247 . 1 1 28 28 LEU CA C 13 58.022 0.300 . 1 . . . . 28 LEU CA . 10173 1 248 . 1 1 28 28 LEU HA H 1 3.260 0.030 . 1 . . . . 28 LEU HA . 10173 1 249 . 1 1 28 28 LEU CB C 13 40.390 0.300 . 1 . . . . 28 LEU CB . 10173 1 250 . 1 1 28 28 LEU HB3 H 1 2.012 0.030 . 2 . . . . 28 LEU HB3 . 10173 1 251 . 1 1 28 28 LEU CG C 13 27.528 0.300 . 1 . . . . 28 LEU CG . 10173 1 252 . 1 1 28 28 LEU HG H 1 1.526 0.030 . 1 . . . . 28 LEU HG . 10173 1 253 . 1 1 28 28 LEU CD1 C 13 22.975 0.300 . 2 . . . . 28 LEU CD1 . 10173 1 254 . 1 1 28 28 LEU HD11 H 1 1.008 0.030 . 1 . . . . 28 LEU HD1 . 10173 1 255 . 1 1 28 28 LEU HD12 H 1 1.008 0.030 . 1 . . . . 28 LEU HD1 . 10173 1 256 . 1 1 28 28 LEU HD13 H 1 1.008 0.030 . 1 . . . . 28 LEU HD1 . 10173 1 257 . 1 1 28 28 LEU CD2 C 13 26.385 0.300 . 2 . . . . 28 LEU CD2 . 10173 1 258 . 1 1 28 28 LEU HD21 H 1 1.032 0.030 . 1 . . . . 28 LEU HD2 . 10173 1 259 . 1 1 28 28 LEU HD22 H 1 1.032 0.030 . 1 . . . . 28 LEU HD2 . 10173 1 260 . 1 1 28 28 LEU HD23 H 1 1.032 0.030 . 1 . . . . 28 LEU HD2 . 10173 1 261 . 1 1 28 28 LEU C C 13 177.619 0.300 . 1 . . . . 28 LEU C . 10173 1 262 . 1 1 28 28 LEU HB2 H 1 1.239 0.030 . 2 . . . . 28 LEU HB2 . 10173 1 263 . 1 1 29 29 SER N N 15 114.652 0.300 . 1 . . . . 29 SER N . 10173 1 264 . 1 1 29 29 SER H H 1 8.415 0.030 . 1 . . . . 29 SER H . 10173 1 265 . 1 1 29 29 SER CA C 13 61.724 0.300 . 1 . . . . 29 SER CA . 10173 1 266 . 1 1 29 29 SER HA H 1 4.222 0.030 . 1 . . . . 29 SER HA . 10173 1 267 . 1 1 29 29 SER CB C 13 62.466 0.300 . 1 . . . . 29 SER CB . 10173 1 268 . 1 1 29 29 SER HB3 H 1 3.857 0.030 . 1 . . . . 29 SER HB3 . 10173 1 269 . 1 1 29 29 SER C C 13 177.182 0.300 . 1 . . . . 29 SER C . 10173 1 270 . 1 1 29 29 SER HB2 H 1 3.857 0.030 . 1 . . . . 29 SER HB2 . 10173 1 271 . 1 1 30 30 ARG N N 15 119.728 0.300 . 1 . . . . 30 ARG N . 10173 1 272 . 1 1 30 30 ARG H H 1 7.390 0.030 . 1 . . . . 30 ARG H . 10173 1 273 . 1 1 30 30 ARG CA C 13 59.144 0.300 . 1 . . . . 30 ARG CA . 10173 1 274 . 1 1 30 30 ARG HA H 1 3.997 0.030 . 1 . . . . 30 ARG HA . 10173 1 275 . 1 1 30 30 ARG CB C 13 30.280 0.300 . 1 . . . . 30 ARG CB . 10173 1 276 . 1 1 30 30 ARG HB3 H 1 1.837 0.030 . 1 . . . . 30 ARG HB3 . 10173 1 277 . 1 1 30 30 ARG CG C 13 27.366 0.300 . 1 . . . . 30 ARG CG . 10173 1 278 . 1 1 30 30 ARG HG3 H 1 1.611 0.030 . 2 . . . . 30 ARG HG3 . 10173 1 279 . 1 1 30 30 ARG CD C 13 43.559 0.300 . 1 . . . . 30 ARG CD . 10173 1 280 . 1 1 30 30 ARG HD3 H 1 3.152 0.030 . 1 . . . . 30 ARG HD3 . 10173 1 281 . 1 1 30 30 ARG C C 13 178.647 0.300 . 1 . . . . 30 ARG C . 10173 1 282 . 1 1 30 30 ARG HB2 H 1 1.837 0.030 . 1 . . . . 30 ARG HB2 . 10173 1 283 . 1 1 30 30 ARG HD2 H 1 3.152 0.030 . 1 . . . . 30 ARG HD2 . 10173 1 284 . 1 1 30 30 ARG HG2 H 1 1.735 0.030 . 2 . . . . 30 ARG HG2 . 10173 1 285 . 1 1 31 31 HIS N N 15 119.367 0.300 . 1 . . . . 31 HIS N . 10173 1 286 . 1 1 31 31 HIS H H 1 7.628 0.030 . 1 . . . . 31 HIS H . 10173 1 287 . 1 1 31 31 HIS CA C 13 59.077 0.300 . 1 . . . . 31 HIS CA . 10173 1 288 . 1 1 31 31 HIS HA H 1 4.224 0.030 . 1 . . . . 31 HIS HA . 10173 1 289 . 1 1 31 31 HIS CB C 13 28.526 0.300 . 1 . . . . 31 HIS CB . 10173 1 290 . 1 1 31 31 HIS HB3 H 1 3.156 0.030 . 2 . . . . 31 HIS HB3 . 10173 1 291 . 1 1 31 31 HIS CD2 C 13 127.221 0.300 . 1 . . . . 31 HIS CD2 . 10173 1 292 . 1 1 31 31 HIS HD2 H 1 6.951 0.030 . 1 . . . . 31 HIS HD2 . 10173 1 293 . 1 1 31 31 HIS CE1 C 13 139.675 0.300 . 1 . . . . 31 HIS CE1 . 10173 1 294 . 1 1 31 31 HIS HE1 H 1 8.064 0.030 . 1 . . . . 31 HIS HE1 . 10173 1 295 . 1 1 31 31 HIS C C 13 176.140 0.300 . 1 . . . . 31 HIS C . 10173 1 296 . 1 1 31 31 HIS HB2 H 1 2.919 0.030 . 2 . . . . 31 HIS HB2 . 10173 1 297 . 1 1 32 32 GLN N N 15 115.298 0.300 . 1 . . . . 32 GLN N . 10173 1 298 . 1 1 32 32 GLN H H 1 8.337 0.030 . 1 . . . . 32 GLN H . 10173 1 299 . 1 1 32 32 GLN CA C 13 59.342 0.300 . 1 . . . . 32 GLN CA . 10173 1 300 . 1 1 32 32 GLN HA H 1 3.709 0.030 . 1 . . . . 32 GLN HA . 10173 1 301 . 1 1 32 32 GLN CB C 13 28.352 0.300 . 1 . . . . 32 GLN CB . 10173 1 302 . 1 1 32 32 GLN HB3 H 1 2.226 0.030 . 2 . . . . 32 GLN HB3 . 10173 1 303 . 1 1 32 32 GLN CG C 13 35.279 0.300 . 1 . . . . 32 GLN CG . 10173 1 304 . 1 1 32 32 GLN HG3 H 1 2.803 0.030 . 1 . . . . 32 GLN HG3 . 10173 1 305 . 1 1 32 32 GLN NE2 N 15 112.569 0.300 . 1 . . . . 32 GLN NE2 . 10173 1 306 . 1 1 32 32 GLN HE21 H 1 7.583 0.030 . 2 . . . . 32 GLN HE21 . 10173 1 307 . 1 1 32 32 GLN HE22 H 1 7.062 0.030 . 2 . . . . 32 GLN HE22 . 10173 1 308 . 1 1 32 32 GLN HB2 H 1 2.307 0.030 . 2 . . . . 32 GLN HB2 . 10173 1 309 . 1 1 32 32 GLN HG2 H 1 2.803 0.030 . 1 . . . . 32 GLN HG2 . 10173 1 310 . 1 1 33 33 ARG N N 15 117.159 0.300 . 1 . . . . 33 ARG N . 10173 1 311 . 1 1 33 33 ARG H H 1 7.099 0.030 . 1 . . . . 33 ARG H . 10173 1 312 . 1 1 33 33 ARG CA C 13 58.300 0.300 . 1 . . . . 33 ARG CA . 10173 1 313 . 1 1 33 33 ARG HA H 1 4.144 0.030 . 1 . . . . 33 ARG HA . 10173 1 314 . 1 1 33 33 ARG CB C 13 30.024 0.300 . 1 . . . . 33 ARG CB . 10173 1 315 . 1 1 33 33 ARG HB3 H 1 1.789 0.030 . 2 . . . . 33 ARG HB3 . 10173 1 316 . 1 1 33 33 ARG CG C 13 27.373 0.300 . 1 . . . . 33 ARG CG . 10173 1 317 . 1 1 33 33 ARG HG3 H 1 1.817 0.030 . 2 . . . . 33 ARG HG3 . 10173 1 318 . 1 1 33 33 ARG CD C 13 43.442 0.300 . 1 . . . . 33 ARG CD . 10173 1 319 . 1 1 33 33 ARG HD3 H 1 3.192 0.030 . 1 . . . . 33 ARG HD3 . 10173 1 320 . 1 1 33 33 ARG C C 13 178.505 0.300 . 1 . . . . 33 ARG C . 10173 1 321 . 1 1 33 33 ARG HB2 H 1 1.885 0.030 . 2 . . . . 33 ARG HB2 . 10173 1 322 . 1 1 33 33 ARG HD2 H 1 3.192 0.030 . 1 . . . . 33 ARG HD2 . 10173 1 323 . 1 1 33 33 ARG HG2 H 1 1.690 0.030 . 2 . . . . 33 ARG HG2 . 10173 1 324 . 1 1 34 34 ILE N N 15 116.468 0.300 . 1 . . . . 34 ILE N . 10173 1 325 . 1 1 34 34 ILE H H 1 7.818 0.030 . 1 . . . . 34 ILE H . 10173 1 326 . 1 1 34 34 ILE CA C 13 63.072 0.300 . 1 . . . . 34 ILE CA . 10173 1 327 . 1 1 34 34 ILE HA H 1 3.975 0.030 . 1 . . . . 34 ILE HA . 10173 1 328 . 1 1 34 34 ILE CB C 13 37.673 0.300 . 1 . . . . 34 ILE CB . 10173 1 329 . 1 1 34 34 ILE HB H 1 1.672 0.030 . 1 . . . . 34 ILE HB . 10173 1 330 . 1 1 34 34 ILE CG1 C 13 26.811 0.300 . 1 . . . . 34 ILE CG1 . 10173 1 331 . 1 1 34 34 ILE HG13 H 1 0.801 0.030 . 2 . . . . 34 ILE HG13 . 10173 1 332 . 1 1 34 34 ILE CG2 C 13 16.538 0.300 . 1 . . . . 34 ILE CG2 . 10173 1 333 . 1 1 34 34 ILE HG21 H 1 0.576 0.030 . 1 . . . . 34 ILE HG2 . 10173 1 334 . 1 1 34 34 ILE HG22 H 1 0.576 0.030 . 1 . . . . 34 ILE HG2 . 10173 1 335 . 1 1 34 34 ILE HG23 H 1 0.576 0.030 . 1 . . . . 34 ILE HG2 . 10173 1 336 . 1 1 34 34 ILE CD1 C 13 14.305 0.300 . 1 . . . . 34 ILE CD1 . 10173 1 337 . 1 1 34 34 ILE HD11 H 1 0.711 0.030 . 1 . . . . 34 ILE HD1 . 10173 1 338 . 1 1 34 34 ILE HD12 H 1 0.711 0.030 . 1 . . . . 34 ILE HD1 . 10173 1 339 . 1 1 34 34 ILE HD13 H 1 0.711 0.030 . 1 . . . . 34 ILE HD1 . 10173 1 340 . 1 1 34 34 ILE C C 13 177.406 0.300 . 1 . . . . 34 ILE C . 10173 1 341 . 1 1 34 34 ILE HG12 H 1 0.949 0.030 . 2 . . . . 34 ILE HG12 . 10173 1 342 . 1 1 35 35 HIS N N 15 117.692 0.300 . 1 . . . . 35 HIS N . 10173 1 343 . 1 1 35 35 HIS H H 1 7.220 0.030 . 1 . . . . 35 HIS H . 10173 1 344 . 1 1 35 35 HIS CA C 13 55.298 0.300 . 1 . . . . 35 HIS CA . 10173 1 345 . 1 1 35 35 HIS HA H 1 4.858 0.030 . 1 . . . . 35 HIS HA . 10173 1 346 . 1 1 35 35 HIS CB C 13 28.597 0.300 . 1 . . . . 35 HIS CB . 10173 1 347 . 1 1 35 35 HIS HB3 H 1 3.240 0.030 . 2 . . . . 35 HIS HB3 . 10173 1 348 . 1 1 35 35 HIS CD2 C 13 127.696 0.300 . 1 . . . . 35 HIS CD2 . 10173 1 349 . 1 1 35 35 HIS HD2 H 1 6.772 0.030 . 1 . . . . 35 HIS HD2 . 10173 1 350 . 1 1 35 35 HIS CE1 C 13 140.015 0.300 . 1 . . . . 35 HIS CE1 . 10173 1 351 . 1 1 35 35 HIS HE1 H 1 8.066 0.030 . 1 . . . . 35 HIS HE1 . 10173 1 352 . 1 1 35 35 HIS C C 13 175.834 0.300 . 1 . . . . 35 HIS C . 10173 1 353 . 1 1 35 35 HIS HB2 H 1 3.354 0.030 . 2 . . . . 35 HIS HB2 . 10173 1 354 . 1 1 36 36 THR N N 15 111.637 0.300 . 1 . . . . 36 THR N . 10173 1 355 . 1 1 36 36 THR H H 1 7.791 0.030 . 1 . . . . 36 THR H . 10173 1 356 . 1 1 36 36 THR CA C 13 62.508 0.300 . 1 . . . . 36 THR CA . 10173 1 357 . 1 1 36 36 THR HA H 1 4.358 0.030 . 1 . . . . 36 THR HA . 10173 1 358 . 1 1 36 36 THR CB C 13 69.805 0.300 . 1 . . . . 36 THR CB . 10173 1 359 . 1 1 36 36 THR HB H 1 4.332 0.030 . 1 . . . . 36 THR HB . 10173 1 360 . 1 1 36 36 THR CG2 C 13 21.632 0.300 . 1 . . . . 36 THR CG2 . 10173 1 361 . 1 1 36 36 THR HG21 H 1 1.242 0.030 . 1 . . . . 36 THR HG2 . 10173 1 362 . 1 1 36 36 THR HG22 H 1 1.242 0.030 . 1 . . . . 36 THR HG2 . 10173 1 363 . 1 1 36 36 THR HG23 H 1 1.242 0.030 . 1 . . . . 36 THR HG2 . 10173 1 364 . 1 1 36 36 THR C C 13 175.472 0.300 . 1 . . . . 36 THR C . 10173 1 365 . 1 1 37 37 GLY N N 15 110.597 0.300 . 1 . . . . 37 GLY N . 10173 1 366 . 1 1 37 37 GLY H H 1 8.215 0.030 . 1 . . . . 37 GLY H . 10173 1 367 . 1 1 37 37 GLY CA C 13 45.345 0.300 . 1 . . . . 37 GLY CA . 10173 1 368 . 1 1 37 37 GLY HA3 H 1 3.941 0.030 . 2 . . . . 37 GLY HA3 . 10173 1 369 . 1 1 37 37 GLY C C 13 174.037 0.300 . 1 . . . . 37 GLY C . 10173 1 370 . 1 1 37 37 GLY HA2 H 1 4.036 0.030 . 2 . . . . 37 GLY HA2 . 10173 1 371 . 1 1 38 38 GLU N N 15 120.595 0.300 . 1 . . . . 38 GLU N . 10173 1 372 . 1 1 38 38 GLU H H 1 8.082 0.030 . 1 . . . . 38 GLU H . 10173 1 373 . 1 1 38 38 GLU CA C 13 56.438 0.300 . 1 . . . . 38 GLU CA . 10173 1 374 . 1 1 38 38 GLU HA H 1 4.244 0.030 . 1 . . . . 38 GLU HA . 10173 1 375 . 1 1 38 38 GLU CB C 13 30.533 0.300 . 1 . . . . 38 GLU CB . 10173 1 376 . 1 1 38 38 GLU HB3 H 1 1.898 0.030 . 2 . . . . 38 GLU HB3 . 10173 1 377 . 1 1 38 38 GLU CG C 13 36.282 0.300 . 1 . . . . 38 GLU CG . 10173 1 378 . 1 1 38 38 GLU HG3 H 1 2.268 0.030 . 2 . . . . 38 GLU HG3 . 10173 1 379 . 1 1 38 38 GLU C C 13 176.198 0.300 . 1 . . . . 38 GLU C . 10173 1 380 . 1 1 38 38 GLU HB2 H 1 1.984 0.030 . 2 . . . . 38 GLU HB2 . 10173 1 381 . 1 1 38 38 GLU HG2 H 1 2.220 0.030 . 2 . . . . 38 GLU HG2 . 10173 1 382 . 1 1 39 39 LYS N N 15 123.862 0.300 . 1 . . . . 39 LYS N . 10173 1 383 . 1 1 39 39 LYS H H 1 8.413 0.030 . 1 . . . . 39 LYS H . 10173 1 384 . 1 1 39 39 LYS CA C 13 54.115 0.300 . 1 . . . . 39 LYS CA . 10173 1 385 . 1 1 39 39 LYS HA H 1 4.602 0.030 . 1 . . . . 39 LYS HA . 10173 1 386 . 1 1 39 39 LYS CB C 13 32.503 0.300 . 1 . . . . 39 LYS CB . 10173 1 387 . 1 1 39 39 LYS HB3 H 1 1.817 0.030 . 2 . . . . 39 LYS HB3 . 10173 1 388 . 1 1 39 39 LYS CG C 13 24.491 0.300 . 1 . . . . 39 LYS CG . 10173 1 389 . 1 1 39 39 LYS HG3 H 1 1.478 0.030 . 1 . . . . 39 LYS HG3 . 10173 1 390 . 1 1 39 39 LYS CD C 13 29.172 0.300 . 1 . . . . 39 LYS CD . 10173 1 391 . 1 1 39 39 LYS HD3 H 1 1.687 0.030 . 1 . . . . 39 LYS HD3 . 10173 1 392 . 1 1 39 39 LYS CE C 13 42.201 0.300 . 1 . . . . 39 LYS CE . 10173 1 393 . 1 1 39 39 LYS HE3 H 1 2.976 0.030 . 1 . . . . 39 LYS HE3 . 10173 1 394 . 1 1 39 39 LYS C C 13 174.491 0.300 . 1 . . . . 39 LYS C . 10173 1 395 . 1 1 39 39 LYS HB2 H 1 1.727 0.030 . 2 . . . . 39 LYS HB2 . 10173 1 396 . 1 1 39 39 LYS HD2 H 1 1.687 0.030 . 1 . . . . 39 LYS HD2 . 10173 1 397 . 1 1 39 39 LYS HE2 H 1 2.976 0.030 . 1 . . . . 39 LYS HE2 . 10173 1 398 . 1 1 39 39 LYS HG2 H 1 1.478 0.030 . 1 . . . . 39 LYS HG2 . 10173 1 399 . 1 1 40 40 PRO CA C 13 63.230 0.300 . 1 . . . . 40 PRO CA . 10173 1 400 . 1 1 40 40 PRO HA H 1 4.457 0.030 . 1 . . . . 40 PRO HA . 10173 1 401 . 1 1 40 40 PRO CB C 13 32.215 0.300 . 1 . . . . 40 PRO CB . 10173 1 402 . 1 1 40 40 PRO HB3 H 1 1.930 0.030 . 2 . . . . 40 PRO HB3 . 10173 1 403 . 1 1 40 40 PRO CG C 13 27.300 0.300 . 1 . . . . 40 PRO CG . 10173 1 404 . 1 1 40 40 PRO HG3 H 1 2.010 0.030 . 1 . . . . 40 PRO HG3 . 10173 1 405 . 1 1 40 40 PRO CD C 13 50.630 0.300 . 1 . . . . 40 PRO CD . 10173 1 406 . 1 1 40 40 PRO HD3 H 1 3.641 0.030 . 2 . . . . 40 PRO HD3 . 10173 1 407 . 1 1 40 40 PRO HB2 H 1 2.302 0.030 . 2 . . . . 40 PRO HB2 . 10173 1 408 . 1 1 40 40 PRO HD2 H 1 3.817 0.030 . 2 . . . . 40 PRO HD2 . 10173 1 409 . 1 1 40 40 PRO HG2 H 1 2.010 0.030 . 1 . . . . 40 PRO HG2 . 10173 1 stop_ save_