################################### # 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 11167 _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 11167 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11167 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 . . 11167 1 2 $NMRPipe . . 11167 1 3 $NMRVIEW . . 11167 1 4 $Kujira . . 11167 1 5 $CYANA . . 11167 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 4.342 0.030 . 1 . . . . 8 THR HA . 11167 1 2 . 1 1 8 8 THR HB H 1 3.880 0.030 . 1 . . . . 8 THR HB . 11167 1 3 . 1 1 8 8 THR HG21 H 1 1.172 0.030 . 1 . . . . 8 THR HG2 . 11167 1 4 . 1 1 8 8 THR HG22 H 1 1.172 0.030 . 1 . . . . 8 THR HG2 . 11167 1 5 . 1 1 8 8 THR HG23 H 1 1.172 0.030 . 1 . . . . 8 THR HG2 . 11167 1 6 . 1 1 8 8 THR C C 13 175.247 0.300 . 1 . . . . 8 THR C . 11167 1 7 . 1 1 8 8 THR CA C 13 61.809 0.300 . 1 . . . . 8 THR CA . 11167 1 8 . 1 1 8 8 THR CB C 13 63.885 0.300 . 1 . . . . 8 THR CB . 11167 1 9 . 1 1 8 8 THR CG2 C 13 21.543 0.300 . 1 . . . . 8 THR CG2 . 11167 1 10 . 1 1 9 9 GLY H H 1 8.445 0.030 . 1 . . . . 9 GLY H . 11167 1 11 . 1 1 9 9 GLY HA2 H 1 3.945 0.030 . 1 . . . . 9 GLY HA2 . 11167 1 12 . 1 1 9 9 GLY HA3 H 1 3.945 0.030 . 1 . . . . 9 GLY HA3 . 11167 1 13 . 1 1 9 9 GLY C C 13 174.035 0.300 . 1 . . . . 9 GLY C . 11167 1 14 . 1 1 9 9 GLY CA C 13 45.282 0.300 . 1 . . . . 9 GLY CA . 11167 1 15 . 1 1 9 9 GLY N N 15 111.070 0.300 . 1 . . . . 9 GLY N . 11167 1 16 . 1 1 10 10 GLU H H 1 8.217 0.030 . 1 . . . . 10 GLU H . 11167 1 17 . 1 1 10 10 GLU HA H 1 4.225 0.030 . 1 . . . . 10 GLU HA . 11167 1 18 . 1 1 10 10 GLU HB2 H 1 1.980 0.030 . 2 . . . . 10 GLU HB2 . 11167 1 19 . 1 1 10 10 GLU HB3 H 1 1.867 0.030 . 2 . . . . 10 GLU HB3 . 11167 1 20 . 1 1 10 10 GLU HG2 H 1 2.246 0.030 . 2 . . . . 10 GLU HG2 . 11167 1 21 . 1 1 10 10 GLU HG3 H 1 2.201 0.030 . 2 . . . . 10 GLU HG3 . 11167 1 22 . 1 1 10 10 GLU C C 13 176.249 0.300 . 1 . . . . 10 GLU C . 11167 1 23 . 1 1 10 10 GLU CA C 13 56.555 0.300 . 1 . . . . 10 GLU CA . 11167 1 24 . 1 1 10 10 GLU CB C 13 30.427 0.300 . 1 . . . . 10 GLU CB . 11167 1 25 . 1 1 10 10 GLU CG C 13 36.269 0.300 . 1 . . . . 10 GLU CG . 11167 1 26 . 1 1 10 10 GLU N N 15 120.530 0.300 . 1 . . . . 10 GLU N . 11167 1 27 . 1 1 11 11 LYS H H 1 8.293 0.030 . 1 . . . . 11 LYS H . 11167 1 28 . 1 1 11 11 LYS HA H 1 4.512 0.030 . 1 . . . . 11 LYS HA . 11167 1 29 . 1 1 11 11 LYS HB2 H 1 1.601 0.030 . 1 . . . . 11 LYS HB2 . 11167 1 30 . 1 1 11 11 LYS HB3 H 1 1.601 0.030 . 1 . . . . 11 LYS HB3 . 11167 1 31 . 1 1 11 11 LYS HD2 H 1 1.553 0.030 . 1 . . . . 11 LYS HD2 . 11167 1 32 . 1 1 11 11 LYS HD3 H 1 1.553 0.030 . 1 . . . . 11 LYS HD3 . 11167 1 33 . 1 1 11 11 LYS HE2 H 1 2.897 0.030 . 1 . . . . 11 LYS HE2 . 11167 1 34 . 1 1 11 11 LYS HE3 H 1 2.897 0.030 . 1 . . . . 11 LYS HE3 . 11167 1 35 . 1 1 11 11 LYS HG2 H 1 1.311 0.030 . 2 . . . . 11 LYS HG2 . 11167 1 36 . 1 1 11 11 LYS HG3 H 1 1.260 0.030 . 2 . . . . 11 LYS HG3 . 11167 1 37 . 1 1 11 11 LYS C C 13 173.978 0.300 . 1 . . . . 11 LYS C . 11167 1 38 . 1 1 11 11 LYS CA C 13 53.847 0.300 . 1 . . . . 11 LYS CA . 11167 1 39 . 1 1 11 11 LYS CB C 13 32.641 0.300 . 1 . . . . 11 LYS CB . 11167 1 40 . 1 1 11 11 LYS CD C 13 29.227 0.300 . 1 . . . . 11 LYS CD . 11167 1 41 . 1 1 11 11 LYS CE C 13 42.320 0.300 . 1 . . . . 11 LYS CE . 11167 1 42 . 1 1 11 11 LYS CG C 13 24.614 0.300 . 1 . . . . 11 LYS CG . 11167 1 43 . 1 1 11 11 LYS N N 15 122.964 0.300 . 1 . . . . 11 LYS N . 11167 1 44 . 1 1 12 12 PRO HA H 1 4.314 0.030 . 1 . . . . 12 PRO HA . 11167 1 45 . 1 1 12 12 PRO HB2 H 1 1.466 0.030 . 2 . . . . 12 PRO HB2 . 11167 1 46 . 1 1 12 12 PRO HB3 H 1 2.046 0.030 . 2 . . . . 12 PRO HB3 . 11167 1 47 . 1 1 12 12 PRO HD2 H 1 3.627 0.030 . 2 . . . . 12 PRO HD2 . 11167 1 48 . 1 1 12 12 PRO HD3 H 1 3.537 0.030 . 2 . . . . 12 PRO HD3 . 11167 1 49 . 1 1 12 12 PRO HG2 H 1 1.714 0.030 . 2 . . . . 12 PRO HG2 . 11167 1 50 . 1 1 12 12 PRO HG3 H 1 1.851 0.030 . 2 . . . . 12 PRO HG3 . 11167 1 51 . 1 1 12 12 PRO C C 13 176.442 0.300 . 1 . . . . 12 PRO C . 11167 1 52 . 1 1 12 12 PRO CA C 13 62.958 0.300 . 1 . . . . 12 PRO CA . 11167 1 53 . 1 1 12 12 PRO CB C 13 32.278 0.300 . 1 . . . . 12 PRO CB . 11167 1 54 . 1 1 12 12 PRO CD C 13 50.247 0.300 . 1 . . . . 12 PRO CD . 11167 1 55 . 1 1 12 12 PRO CG C 13 26.800 0.300 . 1 . . . . 12 PRO CG . 11167 1 56 . 1 1 13 13 TYR H H 1 8.112 0.030 . 1 . . . . 13 TYR H . 11167 1 57 . 1 1 13 13 TYR HA H 1 4.567 0.030 . 1 . . . . 13 TYR HA . 11167 1 58 . 1 1 13 13 TYR HB2 H 1 2.891 0.030 . 2 . . . . 13 TYR HB2 . 11167 1 59 . 1 1 13 13 TYR HB3 H 1 2.829 0.030 . 2 . . . . 13 TYR HB3 . 11167 1 60 . 1 1 13 13 TYR HD1 H 1 6.932 0.030 . 1 . . . . 13 TYR HD1 . 11167 1 61 . 1 1 13 13 TYR HD2 H 1 6.932 0.030 . 1 . . . . 13 TYR HD2 . 11167 1 62 . 1 1 13 13 TYR HE1 H 1 6.794 0.030 . 1 . . . . 13 TYR HE1 . 11167 1 63 . 1 1 13 13 TYR HE2 H 1 6.794 0.030 . 1 . . . . 13 TYR HE2 . 11167 1 64 . 1 1 13 13 TYR C C 13 174.068 0.300 . 1 . . . . 13 TYR C . 11167 1 65 . 1 1 13 13 TYR CA C 13 57.325 0.300 . 1 . . . . 13 TYR CA . 11167 1 66 . 1 1 13 13 TYR CB C 13 38.254 0.300 . 1 . . . . 13 TYR CB . 11167 1 67 . 1 1 13 13 TYR CD1 C 13 133.047 0.300 . 1 . . . . 13 TYR CD1 . 11167 1 68 . 1 1 13 13 TYR CD2 C 13 133.047 0.300 . 1 . . . . 13 TYR CD2 . 11167 1 69 . 1 1 13 13 TYR CE1 C 13 118.245 0.300 . 1 . . . . 13 TYR CE1 . 11167 1 70 . 1 1 13 13 TYR CE2 C 13 118.245 0.300 . 1 . . . . 13 TYR CE2 . 11167 1 71 . 1 1 13 13 TYR N N 15 119.819 0.300 . 1 . . . . 13 TYR N . 11167 1 72 . 1 1 14 14 LYS H H 1 8.374 0.030 . 1 . . . . 14 LYS H . 11167 1 73 . 1 1 14 14 LYS HA H 1 5.028 0.030 . 1 . . . . 14 LYS HA . 11167 1 74 . 1 1 14 14 LYS HB2 H 1 1.475 0.030 . 2 . . . . 14 LYS HB2 . 11167 1 75 . 1 1 14 14 LYS HB3 H 1 1.704 0.030 . 2 . . . . 14 LYS HB3 . 11167 1 76 . 1 1 14 14 LYS HD2 H 1 1.544 0.030 . 1 . . . . 14 LYS HD2 . 11167 1 77 . 1 1 14 14 LYS HD3 H 1 1.544 0.030 . 1 . . . . 14 LYS HD3 . 11167 1 78 . 1 1 14 14 LYS HE2 H 1 2.889 0.030 . 1 . . . . 14 LYS HE2 . 11167 1 79 . 1 1 14 14 LYS HE3 H 1 2.889 0.030 . 1 . . . . 14 LYS HE3 . 11167 1 80 . 1 1 14 14 LYS HG2 H 1 1.030 0.030 . 2 . . . . 14 LYS HG2 . 11167 1 81 . 1 1 14 14 LYS HG3 H 1 1.117 0.030 . 2 . . . . 14 LYS HG3 . 11167 1 82 . 1 1 14 14 LYS C C 13 175.001 0.300 . 1 . . . . 14 LYS C . 11167 1 83 . 1 1 14 14 LYS CA C 13 54.791 0.300 . 1 . . . . 14 LYS CA . 11167 1 84 . 1 1 14 14 LYS CB C 13 35.927 0.300 . 1 . . . . 14 LYS CB . 11167 1 85 . 1 1 14 14 LYS CD C 13 29.645 0.300 . 1 . . . . 14 LYS CD . 11167 1 86 . 1 1 14 14 LYS CE C 13 41.934 0.300 . 1 . . . . 14 LYS CE . 11167 1 87 . 1 1 14 14 LYS CG C 13 24.411 0.300 . 1 . . . . 14 LYS CG . 11167 1 88 . 1 1 14 14 LYS N N 15 124.824 0.300 . 1 . . . . 14 LYS N . 11167 1 89 . 1 1 15 15 CYS H H 1 9.323 0.030 . 1 . . . . 15 CYS H . 11167 1 90 . 1 1 15 15 CYS HA H 1 4.540 0.030 . 1 . . . . 15 CYS HA . 11167 1 91 . 1 1 15 15 CYS HB2 H 1 2.836 0.030 . 2 . . . . 15 CYS HB2 . 11167 1 92 . 1 1 15 15 CYS HB3 H 1 3.380 0.030 . 2 . . . . 15 CYS HB3 . 11167 1 93 . 1 1 15 15 CYS C C 13 176.876 0.300 . 1 . . . . 15 CYS C . 11167 1 94 . 1 1 15 15 CYS CA C 13 59.340 0.300 . 1 . . . . 15 CYS CA . 11167 1 95 . 1 1 15 15 CYS CB C 13 29.441 0.300 . 1 . . . . 15 CYS CB . 11167 1 96 . 1 1 15 15 CYS N N 15 127.759 0.300 . 1 . . . . 15 CYS N . 11167 1 97 . 1 1 16 16 ASN H H 1 9.404 0.030 . 1 . . . . 16 ASN H . 11167 1 98 . 1 1 16 16 ASN HA H 1 4.496 0.030 . 1 . . . . 16 ASN HA . 11167 1 99 . 1 1 16 16 ASN HB2 H 1 2.856 0.030 . 1 . . . . 16 ASN HB2 . 11167 1 100 . 1 1 16 16 ASN HB3 H 1 2.856 0.030 . 1 . . . . 16 ASN HB3 . 11167 1 101 . 1 1 16 16 ASN HD21 H 1 7.670 0.030 . 2 . . . . 16 ASN HD21 . 11167 1 102 . 1 1 16 16 ASN HD22 H 1 6.956 0.030 . 2 . . . . 16 ASN HD22 . 11167 1 103 . 1 1 16 16 ASN C C 13 175.480 0.300 . 1 . . . . 16 ASN C . 11167 1 104 . 1 1 16 16 ASN CA C 13 55.581 0.300 . 1 . . . . 16 ASN CA . 11167 1 105 . 1 1 16 16 ASN CB C 13 38.359 0.300 . 1 . . . . 16 ASN CB . 11167 1 106 . 1 1 16 16 ASN N N 15 130.358 0.300 . 1 . . . . 16 ASN N . 11167 1 107 . 1 1 16 16 ASN ND2 N 15 113.437 0.300 . 1 . . . . 16 ASN ND2 . 11167 1 108 . 1 1 17 17 GLU H H 1 8.632 0.030 . 1 . . . . 17 GLU H . 11167 1 109 . 1 1 17 17 GLU HA H 1 4.186 0.030 . 1 . . . . 17 GLU HA . 11167 1 110 . 1 1 17 17 GLU HB2 H 1 1.335 0.030 . 2 . . . . 17 GLU HB2 . 11167 1 111 . 1 1 17 17 GLU HB3 H 1 1.297 0.030 . 2 . . . . 17 GLU HB3 . 11167 1 112 . 1 1 17 17 GLU HG2 H 1 1.850 0.030 . 2 . . . . 17 GLU HG2 . 11167 1 113 . 1 1 17 17 GLU HG3 H 1 1.741 0.030 . 2 . . . . 17 GLU HG3 . 11167 1 114 . 1 1 17 17 GLU C C 13 177.098 0.300 . 1 . . . . 17 GLU C . 11167 1 115 . 1 1 17 17 GLU CA C 13 58.380 0.300 . 1 . . . . 17 GLU CA . 11167 1 116 . 1 1 17 17 GLU CB C 13 29.413 0.300 . 1 . . . . 17 GLU CB . 11167 1 117 . 1 1 17 17 GLU CG C 13 35.623 0.300 . 1 . . . . 17 GLU CG . 11167 1 118 . 1 1 17 17 GLU N N 15 120.730 0.300 . 1 . . . . 17 GLU N . 11167 1 119 . 1 1 18 18 CYS H H 1 7.900 0.030 . 1 . . . . 18 CYS H . 11167 1 120 . 1 1 18 18 CYS HA H 1 5.153 0.030 . 1 . . . . 18 CYS HA . 11167 1 121 . 1 1 18 18 CYS HB2 H 1 2.851 0.030 . 2 . . . . 18 CYS HB2 . 11167 1 122 . 1 1 18 18 CYS HB3 H 1 3.416 0.030 . 2 . . . . 18 CYS HB3 . 11167 1 123 . 1 1 18 18 CYS C C 13 176.249 0.300 . 1 . . . . 18 CYS C . 11167 1 124 . 1 1 18 18 CYS CA C 13 58.287 0.300 . 1 . . . . 18 CYS CA . 11167 1 125 . 1 1 18 18 CYS CB C 13 32.369 0.300 . 1 . . . . 18 CYS CB . 11167 1 126 . 1 1 18 18 CYS N N 15 114.516 0.300 . 1 . . . . 18 CYS N . 11167 1 127 . 1 1 19 19 GLY H H 1 8.195 0.030 . 1 . . . . 19 GLY H . 11167 1 128 . 1 1 19 19 GLY HA2 H 1 3.711 0.030 . 2 . . . . 19 GLY HA2 . 11167 1 129 . 1 1 19 19 GLY HA3 H 1 4.221 0.030 . 2 . . . . 19 GLY HA3 . 11167 1 130 . 1 1 19 19 GLY C C 13 173.588 0.300 . 1 . . . . 19 GLY C . 11167 1 131 . 1 1 19 19 GLY CA C 13 46.163 0.300 . 1 . . . . 19 GLY CA . 11167 1 132 . 1 1 19 19 GLY N N 15 113.562 0.300 . 1 . . . . 19 GLY N . 11167 1 133 . 1 1 20 20 LYS H H 1 7.843 0.030 . 1 . . . . 20 LYS H . 11167 1 134 . 1 1 20 20 LYS HA H 1 3.965 0.030 . 1 . . . . 20 LYS HA . 11167 1 135 . 1 1 20 20 LYS HB2 H 1 1.339 0.030 . 2 . . . . 20 LYS HB2 . 11167 1 136 . 1 1 20 20 LYS HB3 H 1 1.193 0.030 . 2 . . . . 20 LYS HB3 . 11167 1 137 . 1 1 20 20 LYS HD2 H 1 1.471 0.030 . 2 . . . . 20 LYS HD2 . 11167 1 138 . 1 1 20 20 LYS HD3 H 1 1.428 0.030 . 2 . . . . 20 LYS HD3 . 11167 1 139 . 1 1 20 20 LYS HE2 H 1 2.960 0.030 . 2 . . . . 20 LYS HE2 . 11167 1 140 . 1 1 20 20 LYS HE3 H 1 2.910 0.030 . 2 . . . . 20 LYS HE3 . 11167 1 141 . 1 1 20 20 LYS HG2 H 1 1.442 0.030 . 2 . . . . 20 LYS HG2 . 11167 1 142 . 1 1 20 20 LYS HG3 H 1 1.066 0.030 . 2 . . . . 20 LYS HG3 . 11167 1 143 . 1 1 20 20 LYS C C 13 174.278 0.300 . 1 . . . . 20 LYS C . 11167 1 144 . 1 1 20 20 LYS CA C 13 58.269 0.300 . 1 . . . . 20 LYS CA . 11167 1 145 . 1 1 20 20 LYS CB C 13 33.824 0.300 . 1 . . . . 20 LYS CB . 11167 1 146 . 1 1 20 20 LYS CD C 13 29.251 0.300 . 1 . . . . 20 LYS CD . 11167 1 147 . 1 1 20 20 LYS CE C 13 42.136 0.300 . 1 . . . . 20 LYS CE . 11167 1 148 . 1 1 20 20 LYS CG C 13 26.454 0.300 . 1 . . . . 20 LYS CG . 11167 1 149 . 1 1 20 20 LYS N N 15 122.520 0.300 . 1 . . . . 20 LYS N . 11167 1 150 . 1 1 21 21 VAL H H 1 7.595 0.030 . 1 . . . . 21 VAL H . 11167 1 151 . 1 1 21 21 VAL HA H 1 4.765 0.030 . 1 . . . . 21 VAL HA . 11167 1 152 . 1 1 21 21 VAL HB H 1 1.828 0.030 . 1 . . . . 21 VAL HB . 11167 1 153 . 1 1 21 21 VAL HG11 H 1 0.806 0.030 . 1 . . . . 21 VAL HG1 . 11167 1 154 . 1 1 21 21 VAL HG12 H 1 0.806 0.030 . 1 . . . . 21 VAL HG1 . 11167 1 155 . 1 1 21 21 VAL HG13 H 1 0.806 0.030 . 1 . . . . 21 VAL HG1 . 11167 1 156 . 1 1 21 21 VAL HG21 H 1 0.797 0.030 . 1 . . . . 21 VAL HG2 . 11167 1 157 . 1 1 21 21 VAL HG22 H 1 0.797 0.030 . 1 . . . . 21 VAL HG2 . 11167 1 158 . 1 1 21 21 VAL HG23 H 1 0.797 0.030 . 1 . . . . 21 VAL HG2 . 11167 1 159 . 1 1 21 21 VAL C C 13 175.170 0.300 . 1 . . . . 21 VAL C . 11167 1 160 . 1 1 21 21 VAL CA C 13 60.529 0.300 . 1 . . . . 21 VAL CA . 11167 1 161 . 1 1 21 21 VAL CB C 13 34.005 0.300 . 1 . . . . 21 VAL CB . 11167 1 162 . 1 1 21 21 VAL CG1 C 13 21.912 0.300 . 2 . . . . 21 VAL CG1 . 11167 1 163 . 1 1 21 21 VAL CG2 C 13 20.358 0.300 . 2 . . . . 21 VAL CG2 . 11167 1 164 . 1 1 21 21 VAL N N 15 117.148 0.300 . 1 . . . . 21 VAL N . 11167 1 165 . 1 1 22 22 PHE H H 1 8.727 0.030 . 1 . . . . 22 PHE H . 11167 1 166 . 1 1 22 22 PHE HA H 1 4.886 0.030 . 1 . . . . 22 PHE HA . 11167 1 167 . 1 1 22 22 PHE HB2 H 1 2.737 0.030 . 2 . . . . 22 PHE HB2 . 11167 1 168 . 1 1 22 22 PHE HB3 H 1 3.512 0.030 . 2 . . . . 22 PHE HB3 . 11167 1 169 . 1 1 22 22 PHE HD1 H 1 7.277 0.030 . 1 . . . . 22 PHE HD1 . 11167 1 170 . 1 1 22 22 PHE HD2 H 1 7.277 0.030 . 1 . . . . 22 PHE HD2 . 11167 1 171 . 1 1 22 22 PHE HE1 H 1 6.831 0.030 . 1 . . . . 22 PHE HE1 . 11167 1 172 . 1 1 22 22 PHE HE2 H 1 6.831 0.030 . 1 . . . . 22 PHE HE2 . 11167 1 173 . 1 1 22 22 PHE HZ H 1 6.162 0.030 . 1 . . . . 22 PHE HZ . 11167 1 174 . 1 1 22 22 PHE C C 13 175.644 0.300 . 1 . . . . 22 PHE C . 11167 1 175 . 1 1 22 22 PHE CA C 13 56.863 0.300 . 1 . . . . 22 PHE CA . 11167 1 176 . 1 1 22 22 PHE CB C 13 43.617 0.300 . 1 . . . . 22 PHE CB . 11167 1 177 . 1 1 22 22 PHE CD1 C 13 132.424 0.300 . 1 . . . . 22 PHE CD1 . 11167 1 178 . 1 1 22 22 PHE CD2 C 13 132.424 0.300 . 1 . . . . 22 PHE CD2 . 11167 1 179 . 1 1 22 22 PHE CE1 C 13 130.656 0.300 . 1 . . . . 22 PHE CE1 . 11167 1 180 . 1 1 22 22 PHE CE2 C 13 130.656 0.300 . 1 . . . . 22 PHE CE2 . 11167 1 181 . 1 1 22 22 PHE CZ C 13 128.832 0.300 . 1 . . . . 22 PHE CZ . 11167 1 182 . 1 1 22 22 PHE N N 15 121.448 0.300 . 1 . . . . 22 PHE N . 11167 1 183 . 1 1 23 23 THR H H 1 9.546 0.030 . 1 . . . . 23 THR H . 11167 1 184 . 1 1 23 23 THR HA H 1 4.563 0.030 . 1 . . . . 23 THR HA . 11167 1 185 . 1 1 23 23 THR HB H 1 4.481 0.030 . 1 . . . . 23 THR HB . 11167 1 186 . 1 1 23 23 THR HG21 H 1 1.325 0.030 . 1 . . . . 23 THR HG2 . 11167 1 187 . 1 1 23 23 THR HG22 H 1 1.325 0.030 . 1 . . . . 23 THR HG2 . 11167 1 188 . 1 1 23 23 THR HG23 H 1 1.325 0.030 . 1 . . . . 23 THR HG2 . 11167 1 189 . 1 1 23 23 THR C C 13 174.845 0.300 . 1 . . . . 23 THR C . 11167 1 190 . 1 1 23 23 THR CA C 13 63.192 0.300 . 1 . . . . 23 THR CA . 11167 1 191 . 1 1 23 23 THR CB C 13 69.724 0.300 . 1 . . . . 23 THR CB . 11167 1 192 . 1 1 23 23 THR CG2 C 13 22.336 0.300 . 1 . . . . 23 THR CG2 . 11167 1 193 . 1 1 23 23 THR N N 15 111.123 0.300 . 1 . . . . 23 THR N . 11167 1 194 . 1 1 24 24 GLN H H 1 7.063 0.030 . 1 . . . . 24 GLN H . 11167 1 195 . 1 1 24 24 GLN HA H 1 4.490 0.030 . 1 . . . . 24 GLN HA . 11167 1 196 . 1 1 24 24 GLN HB2 H 1 1.907 0.030 . 2 . . . . 24 GLN HB2 . 11167 1 197 . 1 1 24 24 GLN HB3 H 1 0.937 0.030 . 2 . . . . 24 GLN HB3 . 11167 1 198 . 1 1 24 24 GLN HE21 H 1 7.299 0.030 . 2 . . . . 24 GLN HE21 . 11167 1 199 . 1 1 24 24 GLN HE22 H 1 6.802 0.030 . 2 . . . . 24 GLN HE22 . 11167 1 200 . 1 1 24 24 GLN HG2 H 1 2.111 0.030 . 2 . . . . 24 GLN HG2 . 11167 1 201 . 1 1 24 24 GLN HG3 H 1 2.015 0.030 . 2 . . . . 24 GLN HG3 . 11167 1 202 . 1 1 24 24 GLN C C 13 175.749 0.300 . 1 . . . . 24 GLN C . 11167 1 203 . 1 1 24 24 GLN CA C 13 53.951 0.300 . 1 . . . . 24 GLN CA . 11167 1 204 . 1 1 24 24 GLN CB C 13 32.005 0.300 . 1 . . . . 24 GLN CB . 11167 1 205 . 1 1 24 24 GLN CG C 13 33.197 0.300 . 1 . . . . 24 GLN CG . 11167 1 206 . 1 1 24 24 GLN N N 15 115.353 0.300 . 1 . . . . 24 GLN N . 11167 1 207 . 1 1 24 24 GLN NE2 N 15 111.865 0.300 . 1 . . . . 24 GLN NE2 . 11167 1 208 . 1 1 25 25 ASN HA H 1 3.547 0.030 . 1 . . . . 25 ASN HA . 11167 1 209 . 1 1 25 25 ASN HB2 H 1 2.416 0.030 . 2 . . . . 25 ASN HB2 . 11167 1 210 . 1 1 25 25 ASN HB3 H 1 2.225 0.030 . 2 . . . . 25 ASN HB3 . 11167 1 211 . 1 1 25 25 ASN HD21 H 1 7.332 0.030 . 2 . . . . 25 ASN HD21 . 11167 1 212 . 1 1 25 25 ASN HD22 H 1 6.780 0.030 . 2 . . . . 25 ASN HD22 . 11167 1 213 . 1 1 25 25 ASN CA C 13 56.199 0.300 . 1 . . . . 25 ASN CA . 11167 1 214 . 1 1 25 25 ASN CB C 13 38.257 0.300 . 1 . . . . 25 ASN CB . 11167 1 215 . 1 1 25 25 ASN ND2 N 15 112.508 0.300 . 1 . . . . 25 ASN ND2 . 11167 1 216 . 1 1 26 26 SER HA H 1 3.989 0.030 . 1 . . . . 26 SER HA . 11167 1 217 . 1 1 26 26 SER HB2 H 1 3.792 0.030 . 1 . . . . 26 SER HB2 . 11167 1 218 . 1 1 26 26 SER HB3 H 1 3.792 0.030 . 1 . . . . 26 SER HB3 . 11167 1 219 . 1 1 26 26 SER C C 13 176.796 0.300 . 1 . . . . 26 SER C . 11167 1 220 . 1 1 26 26 SER CA C 13 60.873 0.300 . 1 . . . . 26 SER CA . 11167 1 221 . 1 1 26 26 SER CB C 13 61.570 0.300 . 1 . . . . 26 SER CB . 11167 1 222 . 1 1 27 27 HIS H H 1 6.634 0.030 . 1 . . . . 27 HIS H . 11167 1 223 . 1 1 27 27 HIS HA H 1 4.472 0.030 . 1 . . . . 27 HIS HA . 11167 1 224 . 1 1 27 27 HIS HB2 H 1 3.252 0.030 . 1 . . . . 27 HIS HB2 . 11167 1 225 . 1 1 27 27 HIS HB3 H 1 3.252 0.030 . 1 . . . . 27 HIS HB3 . 11167 1 226 . 1 1 27 27 HIS HD2 H 1 6.912 0.030 . 1 . . . . 27 HIS HD2 . 11167 1 227 . 1 1 27 27 HIS HE1 H 1 7.716 0.030 . 1 . . . . 27 HIS HE1 . 11167 1 228 . 1 1 27 27 HIS C C 13 178.518 0.300 . 1 . . . . 27 HIS C . 11167 1 229 . 1 1 27 27 HIS CA C 13 56.910 0.300 . 1 . . . . 27 HIS CA . 11167 1 230 . 1 1 27 27 HIS CB C 13 31.688 0.300 . 1 . . . . 27 HIS CB . 11167 1 231 . 1 1 27 27 HIS CD2 C 13 116.771 0.300 . 1 . . . . 27 HIS CD2 . 11167 1 232 . 1 1 27 27 HIS CE1 C 13 139.239 0.300 . 1 . . . . 27 HIS CE1 . 11167 1 233 . 1 1 27 27 HIS N N 15 121.078 0.300 . 1 . . . . 27 HIS N . 11167 1 234 . 1 1 28 28 LEU H H 1 6.980 0.030 . 1 . . . . 28 LEU H . 11167 1 235 . 1 1 28 28 LEU HA H 1 3.167 0.030 . 1 . . . . 28 LEU HA . 11167 1 236 . 1 1 28 28 LEU HB2 H 1 1.200 0.030 . 2 . . . . 28 LEU HB2 . 11167 1 237 . 1 1 28 28 LEU HB3 H 1 1.992 0.030 . 2 . . . . 28 LEU HB3 . 11167 1 238 . 1 1 28 28 LEU HD11 H 1 0.976 0.030 . 1 . . . . 28 LEU HD1 . 11167 1 239 . 1 1 28 28 LEU HD12 H 1 0.976 0.030 . 1 . . . . 28 LEU HD1 . 11167 1 240 . 1 1 28 28 LEU HD13 H 1 0.976 0.030 . 1 . . . . 28 LEU HD1 . 11167 1 241 . 1 1 28 28 LEU HD21 H 1 1.014 0.030 . 1 . . . . 28 LEU HD2 . 11167 1 242 . 1 1 28 28 LEU HD22 H 1 1.014 0.030 . 1 . . . . 28 LEU HD2 . 11167 1 243 . 1 1 28 28 LEU HD23 H 1 1.014 0.030 . 1 . . . . 28 LEU HD2 . 11167 1 244 . 1 1 28 28 LEU HG H 1 1.484 0.030 . 1 . . . . 28 LEU HG . 11167 1 245 . 1 1 28 28 LEU C C 13 177.342 0.300 . 1 . . . . 28 LEU C . 11167 1 246 . 1 1 28 28 LEU CA C 13 57.802 0.300 . 1 . . . . 28 LEU CA . 11167 1 247 . 1 1 28 28 LEU CB C 13 40.359 0.300 . 1 . . . . 28 LEU CB . 11167 1 248 . 1 1 28 28 LEU CD1 C 13 22.913 0.300 . 2 . . . . 28 LEU CD1 . 11167 1 249 . 1 1 28 28 LEU CD2 C 13 26.402 0.300 . 2 . . . . 28 LEU CD2 . 11167 1 250 . 1 1 28 28 LEU CG C 13 27.437 0.300 . 1 . . . . 28 LEU CG . 11167 1 251 . 1 1 28 28 LEU N N 15 122.030 0.300 . 1 . . . . 28 LEU N . 11167 1 252 . 1 1 29 29 ALA H H 1 8.285 0.030 . 1 . . . . 29 ALA H . 11167 1 253 . 1 1 29 29 ALA HA H 1 4.109 0.030 . 1 . . . . 29 ALA HA . 11167 1 254 . 1 1 29 29 ALA HB1 H 1 1.335 0.030 . 1 . . . . 29 ALA HB . 11167 1 255 . 1 1 29 29 ALA HB2 H 1 1.335 0.030 . 1 . . . . 29 ALA HB . 11167 1 256 . 1 1 29 29 ALA HB3 H 1 1.335 0.030 . 1 . . . . 29 ALA HB . 11167 1 257 . 1 1 29 29 ALA C C 13 180.716 0.300 . 1 . . . . 29 ALA C . 11167 1 258 . 1 1 29 29 ALA CA C 13 55.115 0.300 . 1 . . . . 29 ALA CA . 11167 1 259 . 1 1 29 29 ALA CB C 13 17.580 0.300 . 1 . . . . 29 ALA CB . 11167 1 260 . 1 1 29 29 ALA N N 15 121.768 0.300 . 1 . . . . 29 ALA N . 11167 1 261 . 1 1 30 30 ASN H H 1 7.754 0.030 . 1 . . . . 30 ASN H . 11167 1 262 . 1 1 30 30 ASN HA H 1 4.337 0.030 . 1 . . . . 30 ASN HA . 11167 1 263 . 1 1 30 30 ASN HB2 H 1 2.741 0.030 . 1 . . . . 30 ASN HB2 . 11167 1 264 . 1 1 30 30 ASN HB3 H 1 2.741 0.030 . 1 . . . . 30 ASN HB3 . 11167 1 265 . 1 1 30 30 ASN HD21 H 1 6.933 0.030 . 2 . . . . 30 ASN HD21 . 11167 1 266 . 1 1 30 30 ASN HD22 H 1 7.690 0.030 . 2 . . . . 30 ASN HD22 . 11167 1 267 . 1 1 30 30 ASN C C 13 177.677 0.300 . 1 . . . . 30 ASN C . 11167 1 268 . 1 1 30 30 ASN CA C 13 55.880 0.300 . 1 . . . . 30 ASN CA . 11167 1 269 . 1 1 30 30 ASN CB C 13 38.459 0.300 . 1 . . . . 30 ASN CB . 11167 1 270 . 1 1 30 30 ASN N N 15 115.224 0.300 . 1 . . . . 30 ASN N . 11167 1 271 . 1 1 30 30 ASN ND2 N 15 113.098 0.300 . 1 . . . . 30 ASN ND2 . 11167 1 272 . 1 1 31 31 HIS H H 1 7.622 0.030 . 1 . . . . 31 HIS H . 11167 1 273 . 1 1 31 31 HIS HA H 1 4.186 0.030 . 1 . . . . 31 HIS HA . 11167 1 274 . 1 1 31 31 HIS HB2 H 1 2.876 0.030 . 2 . . . . 31 HIS HB2 . 11167 1 275 . 1 1 31 31 HIS HB3 H 1 3.117 0.030 . 2 . . . . 31 HIS HB3 . 11167 1 276 . 1 1 31 31 HIS HD2 H 1 6.916 0.030 . 1 . . . . 31 HIS HD2 . 11167 1 277 . 1 1 31 31 HIS HE1 H 1 8.031 0.030 . 1 . . . . 31 HIS HE1 . 11167 1 278 . 1 1 31 31 HIS C C 13 176.046 0.300 . 1 . . . . 31 HIS C . 11167 1 279 . 1 1 31 31 HIS CA C 13 59.000 0.300 . 1 . . . . 31 HIS CA . 11167 1 280 . 1 1 31 31 HIS CB C 13 28.512 0.300 . 1 . . . . 31 HIS CB . 11167 1 281 . 1 1 31 31 HIS CD2 C 13 127.209 0.300 . 1 . . . . 31 HIS CD2 . 11167 1 282 . 1 1 31 31 HIS CE1 C 13 139.690 0.300 . 1 . . . . 31 HIS CE1 . 11167 1 283 . 1 1 31 31 HIS N N 15 119.766 0.300 . 1 . . . . 31 HIS N . 11167 1 284 . 1 1 32 32 GLN H H 1 8.340 0.030 . 1 . . . . 32 GLN H . 11167 1 285 . 1 1 32 32 GLN HA H 1 3.651 0.030 . 1 . . . . 32 GLN HA . 11167 1 286 . 1 1 32 32 GLN HB2 H 1 2.256 0.030 . 2 . . . . 32 GLN HB2 . 11167 1 287 . 1 1 32 32 GLN HB3 H 1 2.195 0.030 . 2 . . . . 32 GLN HB3 . 11167 1 288 . 1 1 32 32 GLN HE21 H 1 7.560 0.030 . 2 . . . . 32 GLN HE21 . 11167 1 289 . 1 1 32 32 GLN HE22 H 1 7.046 0.030 . 2 . . . . 32 GLN HE22 . 11167 1 290 . 1 1 32 32 GLN HG2 H 1 2.776 0.030 . 1 . . . . 32 GLN HG2 . 11167 1 291 . 1 1 32 32 GLN HG3 H 1 2.776 0.030 . 1 . . . . 32 GLN HG3 . 11167 1 292 . 1 1 32 32 GLN C C 13 177.214 0.300 . 1 . . . . 32 GLN C . 11167 1 293 . 1 1 32 32 GLN CA C 13 59.292 0.300 . 1 . . . . 32 GLN CA . 11167 1 294 . 1 1 32 32 GLN CB C 13 28.240 0.300 . 1 . . . . 32 GLN CB . 11167 1 295 . 1 1 32 32 GLN CG C 13 35.303 0.300 . 1 . . . . 32 GLN CG . 11167 1 296 . 1 1 32 32 GLN N N 15 115.330 0.300 . 1 . . . . 32 GLN N . 11167 1 297 . 1 1 32 32 GLN NE2 N 15 112.738 0.300 . 1 . . . . 32 GLN NE2 . 11167 1 298 . 1 1 33 33 ARG H H 1 7.044 0.030 . 1 . . . . 33 ARG H . 11167 1 299 . 1 1 33 33 ARG HA H 1 4.082 0.030 . 1 . . . . 33 ARG HA . 11167 1 300 . 1 1 33 33 ARG HB2 H 1 1.840 0.030 . 2 . . . . 33 ARG HB2 . 11167 1 301 . 1 1 33 33 ARG HB3 H 1 1.764 0.030 . 2 . . . . 33 ARG HB3 . 11167 1 302 . 1 1 33 33 ARG HD2 H 1 3.200 0.030 . 1 . . . . 33 ARG HD2 . 11167 1 303 . 1 1 33 33 ARG HD3 H 1 3.200 0.030 . 1 . . . . 33 ARG HD3 . 11167 1 304 . 1 1 33 33 ARG HG2 H 1 1.640 0.030 . 2 . . . . 33 ARG HG2 . 11167 1 305 . 1 1 33 33 ARG HG3 H 1 1.787 0.030 . 2 . . . . 33 ARG HG3 . 11167 1 306 . 1 1 33 33 ARG C C 13 178.327 0.300 . 1 . . . . 33 ARG C . 11167 1 307 . 1 1 33 33 ARG CA C 13 58.424 0.300 . 1 . . . . 33 ARG CA . 11167 1 308 . 1 1 33 33 ARG CB C 13 29.986 0.300 . 1 . . . . 33 ARG CB . 11167 1 309 . 1 1 33 33 ARG CD C 13 43.440 0.300 . 1 . . . . 33 ARG CD . 11167 1 310 . 1 1 33 33 ARG CG C 13 27.447 0.300 . 1 . . . . 33 ARG CG . 11167 1 311 . 1 1 33 33 ARG N N 15 117.134 0.300 . 1 . . . . 33 ARG N . 11167 1 312 . 1 1 34 34 ILE H H 1 7.742 0.030 . 1 . . . . 34 ILE H . 11167 1 313 . 1 1 34 34 ILE HA H 1 3.967 0.030 . 1 . . . . 34 ILE HA . 11167 1 314 . 1 1 34 34 ILE HB H 1 1.667 0.030 . 1 . . . . 34 ILE HB . 11167 1 315 . 1 1 34 34 ILE HD11 H 1 0.665 0.030 . 1 . . . . 34 ILE HD1 . 11167 1 316 . 1 1 34 34 ILE HD12 H 1 0.665 0.030 . 1 . . . . 34 ILE HD1 . 11167 1 317 . 1 1 34 34 ILE HD13 H 1 0.665 0.030 . 1 . . . . 34 ILE HD1 . 11167 1 318 . 1 1 34 34 ILE HG12 H 1 0.908 0.030 . 2 . . . . 34 ILE HG12 . 11167 1 319 . 1 1 34 34 ILE HG13 H 1 0.675 0.030 . 2 . . . . 34 ILE HG13 . 11167 1 320 . 1 1 34 34 ILE HG21 H 1 0.536 0.030 . 1 . . . . 34 ILE HG2 . 11167 1 321 . 1 1 34 34 ILE HG22 H 1 0.536 0.030 . 1 . . . . 34 ILE HG2 . 11167 1 322 . 1 1 34 34 ILE HG23 H 1 0.536 0.030 . 1 . . . . 34 ILE HG2 . 11167 1 323 . 1 1 34 34 ILE C C 13 177.139 0.300 . 1 . . . . 34 ILE C . 11167 1 324 . 1 1 34 34 ILE CA C 13 62.781 0.300 . 1 . . . . 34 ILE CA . 11167 1 325 . 1 1 34 34 ILE CB C 13 37.737 0.300 . 1 . . . . 34 ILE CB . 11167 1 326 . 1 1 34 34 ILE CD1 C 13 14.329 0.300 . 1 . . . . 34 ILE CD1 . 11167 1 327 . 1 1 34 34 ILE CG1 C 13 26.604 0.300 . 1 . . . . 34 ILE CG1 . 11167 1 328 . 1 1 34 34 ILE CG2 C 13 16.519 0.300 . 1 . . . . 34 ILE CG2 . 11167 1 329 . 1 1 34 34 ILE N N 15 115.829 0.300 . 1 . . . . 34 ILE N . 11167 1 330 . 1 1 35 35 HIS H H 1 7.247 0.030 . 1 . . . . 35 HIS H . 11167 1 331 . 1 1 35 35 HIS HA H 1 4.868 0.030 . 1 . . . . 35 HIS HA . 11167 1 332 . 1 1 35 35 HIS HB2 H 1 3.303 0.030 . 2 . . . . 35 HIS HB2 . 11167 1 333 . 1 1 35 35 HIS HB3 H 1 3.210 0.030 . 2 . . . . 35 HIS HB3 . 11167 1 334 . 1 1 35 35 HIS HD2 H 1 6.737 0.030 . 1 . . . . 35 HIS HD2 . 11167 1 335 . 1 1 35 35 HIS HE1 H 1 8.036 0.030 . 1 . . . . 35 HIS HE1 . 11167 1 336 . 1 1 35 35 HIS C C 13 175.481 0.300 . 1 . . . . 35 HIS C . 11167 1 337 . 1 1 35 35 HIS CA C 13 54.896 0.300 . 1 . . . . 35 HIS CA . 11167 1 338 . 1 1 35 35 HIS CB C 13 28.514 0.300 . 1 . . . . 35 HIS CB . 11167 1 339 . 1 1 35 35 HIS CD2 C 13 127.662 0.300 . 1 . . . . 35 HIS CD2 . 11167 1 340 . 1 1 35 35 HIS CE1 C 13 139.935 0.300 . 1 . . . . 35 HIS CE1 . 11167 1 341 . 1 1 35 35 HIS N N 15 118.234 0.300 . 1 . . . . 35 HIS N . 11167 1 342 . 1 1 36 36 THR H H 1 7.800 0.030 . 1 . . . . 36 THR H . 11167 1 343 . 1 1 36 36 THR HA H 1 4.322 0.030 . 1 . . . . 36 THR HA . 11167 1 344 . 1 1 36 36 THR HB H 1 4.278 0.030 . 1 . . . . 36 THR HB . 11167 1 345 . 1 1 36 36 THR HG21 H 1 1.214 0.030 . 1 . . . . 36 THR HG2 . 11167 1 346 . 1 1 36 36 THR HG22 H 1 1.214 0.030 . 1 . . . . 36 THR HG2 . 11167 1 347 . 1 1 36 36 THR HG23 H 1 1.214 0.030 . 1 . . . . 36 THR HG2 . 11167 1 348 . 1 1 36 36 THR C C 13 175.303 0.300 . 1 . . . . 36 THR C . 11167 1 349 . 1 1 36 36 THR CA C 13 62.360 0.300 . 1 . . . . 36 THR CA . 11167 1 350 . 1 1 36 36 THR CB C 13 69.805 0.300 . 1 . . . . 36 THR CB . 11167 1 351 . 1 1 36 36 THR CG2 C 13 21.529 0.300 . 1 . . . . 36 THR CG2 . 11167 1 352 . 1 1 36 36 THR N N 15 112.276 0.300 . 1 . . . . 36 THR N . 11167 1 353 . 1 1 37 37 GLY H H 1 8.319 0.030 . 1 . . . . 37 GLY H . 11167 1 354 . 1 1 37 37 GLY HA2 H 1 3.956 0.030 . 1 . . . . 37 GLY HA2 . 11167 1 355 . 1 1 37 37 GLY HA3 H 1 3.956 0.030 . 1 . . . . 37 GLY HA3 . 11167 1 356 . 1 1 37 37 GLY C C 13 173.912 0.300 . 1 . . . . 37 GLY C . 11167 1 357 . 1 1 37 37 GLY CA C 13 45.401 0.300 . 1 . . . . 37 GLY CA . 11167 1 358 . 1 1 37 37 GLY N N 15 111.052 0.300 . 1 . . . . 37 GLY N . 11167 1 359 . 1 1 38 38 VAL H H 1 7.884 0.030 . 1 . . . . 38 VAL H . 11167 1 360 . 1 1 38 38 VAL HA H 1 4.055 0.030 . 1 . . . . 38 VAL HA . 11167 1 361 . 1 1 38 38 VAL HB H 1 1.987 0.030 . 1 . . . . 38 VAL HB . 11167 1 362 . 1 1 38 38 VAL HG11 H 1 0.874 0.030 . 1 . . . . 38 VAL HG1 . 11167 1 363 . 1 1 38 38 VAL HG12 H 1 0.874 0.030 . 1 . . . . 38 VAL HG1 . 11167 1 364 . 1 1 38 38 VAL HG13 H 1 0.874 0.030 . 1 . . . . 38 VAL HG1 . 11167 1 365 . 1 1 38 38 VAL HG21 H 1 0.876 0.030 . 1 . . . . 38 VAL HG2 . 11167 1 366 . 1 1 38 38 VAL HG22 H 1 0.876 0.030 . 1 . . . . 38 VAL HG2 . 11167 1 367 . 1 1 38 38 VAL HG23 H 1 0.876 0.030 . 1 . . . . 38 VAL HG2 . 11167 1 368 . 1 1 38 38 VAL C C 13 175.980 0.300 . 1 . . . . 38 VAL C . 11167 1 369 . 1 1 38 38 VAL CA C 13 62.140 0.300 . 1 . . . . 38 VAL CA . 11167 1 370 . 1 1 38 38 VAL CB C 13 32.775 0.300 . 1 . . . . 38 VAL CB . 11167 1 371 . 1 1 38 38 VAL CG1 C 13 21.062 0.300 . 2 . . . . 38 VAL CG1 . 11167 1 372 . 1 1 38 38 VAL CG2 C 13 20.600 0.300 . 2 . . . . 38 VAL CG2 . 11167 1 373 . 1 1 38 38 VAL N N 15 119.637 0.300 . 1 . . . . 38 VAL N . 11167 1 374 . 1 1 39 39 LYS H H 1 8.455 0.030 . 1 . . . . 39 LYS H . 11167 1 375 . 1 1 39 39 LYS HA H 1 4.584 0.030 . 1 . . . . 39 LYS HA . 11167 1 376 . 1 1 39 39 LYS HB2 H 1 1.703 0.030 . 2 . . . . 39 LYS HB2 . 11167 1 377 . 1 1 39 39 LYS HB3 H 1 1.788 0.030 . 2 . . . . 39 LYS HB3 . 11167 1 378 . 1 1 39 39 LYS HD2 H 1 1.662 0.030 . 1 . . . . 39 LYS HD2 . 11167 1 379 . 1 1 39 39 LYS HD3 H 1 1.662 0.030 . 1 . . . . 39 LYS HD3 . 11167 1 380 . 1 1 39 39 LYS HE2 H 1 2.973 0.030 . 1 . . . . 39 LYS HE2 . 11167 1 381 . 1 1 39 39 LYS HE3 H 1 2.973 0.030 . 1 . . . . 39 LYS HE3 . 11167 1 382 . 1 1 39 39 LYS HG2 H 1 1.449 0.030 . 1 . . . . 39 LYS HG2 . 11167 1 383 . 1 1 39 39 LYS HG3 H 1 1.449 0.030 . 1 . . . . 39 LYS HG3 . 11167 1 384 . 1 1 39 39 LYS C C 13 174.468 0.300 . 1 . . . . 39 LYS C . 11167 1 385 . 1 1 39 39 LYS CA C 13 54.142 0.300 . 1 . . . . 39 LYS CA . 11167 1 386 . 1 1 39 39 LYS CB C 13 32.494 0.300 . 1 . . . . 39 LYS CB . 11167 1 387 . 1 1 39 39 LYS CD C 13 29.125 0.300 . 1 . . . . 39 LYS CD . 11167 1 388 . 1 1 39 39 LYS CE C 13 42.124 0.300 . 1 . . . . 39 LYS CE . 11167 1 389 . 1 1 39 39 LYS CG C 13 24.511 0.300 . 1 . . . . 39 LYS CG . 11167 1 390 . 1 1 39 39 LYS N N 15 127.277 0.300 . 1 . . . . 39 LYS N . 11167 1 391 . 1 1 40 40 PRO HA H 1 4.423 0.030 . 1 . . . . 40 PRO HA . 11167 1 392 . 1 1 40 40 PRO HB2 H 1 2.281 0.030 . 2 . . . . 40 PRO HB2 . 11167 1 393 . 1 1 40 40 PRO HB3 H 1 1.915 0.030 . 2 . . . . 40 PRO HB3 . 11167 1 394 . 1 1 40 40 PRO HD2 H 1 3.829 0.030 . 2 . . . . 40 PRO HD2 . 11167 1 395 . 1 1 40 40 PRO HD3 H 1 3.629 0.030 . 2 . . . . 40 PRO HD3 . 11167 1 396 . 1 1 40 40 PRO HG2 H 1 2.007 0.030 . 2 . . . . 40 PRO HG2 . 11167 1 397 . 1 1 40 40 PRO HG3 H 1 1.972 0.030 . 2 . . . . 40 PRO HG3 . 11167 1 398 . 1 1 40 40 PRO CA C 13 63.187 0.300 . 1 . . . . 40 PRO CA . 11167 1 399 . 1 1 40 40 PRO CB C 13 32.170 0.300 . 1 . . . . 40 PRO CB . 11167 1 400 . 1 1 40 40 PRO CD C 13 50.721 0.300 . 1 . . . . 40 PRO CD . 11167 1 401 . 1 1 40 40 PRO CG C 13 27.394 0.300 . 1 . . . . 40 PRO CG . 11167 1 402 . 1 1 42 42 GLY HA2 H 1 4.127 0.030 . 2 . . . . 42 GLY HA2 . 11167 1 403 . 1 1 42 42 GLY HA3 H 1 4.084 0.030 . 2 . . . . 42 GLY HA3 . 11167 1 404 . 1 1 42 42 GLY CA C 13 44.589 0.300 . 1 . . . . 42 GLY CA . 11167 1 405 . 1 1 43 43 PRO HA H 1 4.429 0.030 . 1 . . . . 43 PRO HA . 11167 1 406 . 1 1 43 43 PRO HB2 H 1 2.278 0.030 . 2 . . . . 43 PRO HB2 . 11167 1 407 . 1 1 43 43 PRO HB3 H 1 1.921 0.030 . 2 . . . . 43 PRO HB3 . 11167 1 408 . 1 1 43 43 PRO HD2 H 1 3.599 0.030 . 1 . . . . 43 PRO HD2 . 11167 1 409 . 1 1 43 43 PRO HD3 H 1 3.599 0.030 . 1 . . . . 43 PRO HD3 . 11167 1 410 . 1 1 43 43 PRO HG2 H 1 1.990 0.030 . 1 . . . . 43 PRO HG2 . 11167 1 411 . 1 1 43 43 PRO HG3 H 1 1.990 0.030 . 1 . . . . 43 PRO HG3 . 11167 1 412 . 1 1 43 43 PRO CA C 13 63.149 0.300 . 1 . . . . 43 PRO CA . 11167 1 413 . 1 1 43 43 PRO CB C 13 32.170 0.300 . 1 . . . . 43 PRO CB . 11167 1 414 . 1 1 43 43 PRO CD C 13 49.773 0.300 . 1 . . . . 43 PRO CD . 11167 1 415 . 1 1 43 43 PRO CG C 13 27.166 0.300 . 1 . . . . 43 PRO CG . 11167 1 stop_ save_