################################### # 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 10305 _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 10305 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10305 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 HA2 H 1 3.976 0.030 . 1 . . . . 7 GLY HA2 . 10305 1 2 . 1 1 7 7 GLY HA3 H 1 3.976 0.030 . 1 . . . . 7 GLY HA3 . 10305 1 3 . 1 1 7 7 GLY C C 13 174.465 0.300 . 1 . . . . 7 GLY C . 10305 1 4 . 1 1 7 7 GLY CA C 13 45.343 0.300 . 1 . . . . 7 GLY CA . 10305 1 5 . 1 1 8 8 THR H H 1 8.100 0.030 . 1 . . . . 8 THR H . 10305 1 6 . 1 1 8 8 THR HA H 1 4.306 0.030 . 1 . . . . 8 THR HA . 10305 1 7 . 1 1 8 8 THR HB H 1 4.220 0.030 . 1 . . . . 8 THR HB . 10305 1 8 . 1 1 8 8 THR HG21 H 1 1.139 0.030 . 1 . . . . 8 THR HG2 . 10305 1 9 . 1 1 8 8 THR HG22 H 1 1.139 0.030 . 1 . . . . 8 THR HG2 . 10305 1 10 . 1 1 8 8 THR HG23 H 1 1.139 0.030 . 1 . . . . 8 THR HG2 . 10305 1 11 . 1 1 8 8 THR C C 13 175.198 0.300 . 1 . . . . 8 THR C . 10305 1 12 . 1 1 8 8 THR CA C 13 61.877 0.300 . 1 . . . . 8 THR CA . 10305 1 13 . 1 1 8 8 THR CB C 13 69.758 0.300 . 1 . . . . 8 THR CB . 10305 1 14 . 1 1 8 8 THR CG2 C 13 21.433 0.300 . 1 . . . . 8 THR CG2 . 10305 1 15 . 1 1 8 8 THR N N 15 112.918 0.300 . 1 . . . . 8 THR N . 10305 1 16 . 1 1 9 9 GLY H H 1 8.416 0.030 . 1 . . . . 9 GLY H . 10305 1 17 . 1 1 9 9 GLY HA2 H 1 3.900 0.030 . 1 . . . . 9 GLY HA2 . 10305 1 18 . 1 1 9 9 GLY HA3 H 1 3.900 0.030 . 1 . . . . 9 GLY HA3 . 10305 1 19 . 1 1 9 9 GLY C C 13 173.879 0.300 . 1 . . . . 9 GLY C . 10305 1 20 . 1 1 9 9 GLY CA C 13 45.166 0.300 . 1 . . . . 9 GLY CA . 10305 1 21 . 1 1 9 9 GLY N N 15 111.257 0.300 . 1 . . . . 9 GLY N . 10305 1 22 . 1 1 10 10 VAL H H 1 7.903 0.030 . 1 . . . . 10 VAL H . 10305 1 23 . 1 1 10 10 VAL HA H 1 3.969 0.030 . 1 . . . . 10 VAL HA . 10305 1 24 . 1 1 10 10 VAL HB H 1 1.944 0.030 . 1 . . . . 10 VAL HB . 10305 1 25 . 1 1 10 10 VAL HG11 H 1 0.835 0.030 . 1 . . . . 10 VAL HG1 . 10305 1 26 . 1 1 10 10 VAL HG12 H 1 0.835 0.030 . 1 . . . . 10 VAL HG1 . 10305 1 27 . 1 1 10 10 VAL HG13 H 1 0.835 0.030 . 1 . . . . 10 VAL HG1 . 10305 1 28 . 1 1 10 10 VAL HG21 H 1 0.817 0.030 . 1 . . . . 10 VAL HG2 . 10305 1 29 . 1 1 10 10 VAL HG22 H 1 0.817 0.030 . 1 . . . . 10 VAL HG2 . 10305 1 30 . 1 1 10 10 VAL HG23 H 1 0.817 0.030 . 1 . . . . 10 VAL HG2 . 10305 1 31 . 1 1 10 10 VAL C C 13 176.060 0.300 . 1 . . . . 10 VAL C . 10305 1 32 . 1 1 10 10 VAL CA C 13 62.406 0.300 . 1 . . . . 10 VAL CA . 10305 1 33 . 1 1 10 10 VAL CB C 13 32.512 0.300 . 1 . . . . 10 VAL CB . 10305 1 34 . 1 1 10 10 VAL CG1 C 13 20.441 0.300 . 2 . . . . 10 VAL CG1 . 10305 1 35 . 1 1 10 10 VAL CG2 C 13 21.042 0.300 . 2 . . . . 10 VAL CG2 . 10305 1 36 . 1 1 10 10 VAL N N 15 119.354 0.300 . 1 . . . . 10 VAL N . 10305 1 37 . 1 1 11 11 LYS H H 1 8.337 0.030 . 1 . . . . 11 LYS H . 10305 1 38 . 1 1 11 11 LYS HA H 1 4.457 0.030 . 1 . . . . 11 LYS HA . 10305 1 39 . 1 1 11 11 LYS HB2 H 1 1.426 0.030 . 2 . . . . 11 LYS HB2 . 10305 1 40 . 1 1 11 11 LYS HB3 H 1 1.526 0.030 . 2 . . . . 11 LYS HB3 . 10305 1 41 . 1 1 11 11 LYS HD2 H 1 1.443 0.030 . 1 . . . . 11 LYS HD2 . 10305 1 42 . 1 1 11 11 LYS HD3 H 1 1.443 0.030 . 1 . . . . 11 LYS HD3 . 10305 1 43 . 1 1 11 11 LYS HE2 H 1 2.861 0.030 . 2 . . . . 11 LYS HE2 . 10305 1 44 . 1 1 11 11 LYS HG2 H 1 1.287 0.030 . 2 . . . . 11 LYS HG2 . 10305 1 45 . 1 1 11 11 LYS HG3 H 1 1.172 0.030 . 2 . . . . 11 LYS HG3 . 10305 1 46 . 1 1 11 11 LYS C C 13 174.062 0.300 . 1 . . . . 11 LYS C . 10305 1 47 . 1 1 11 11 LYS CA C 13 53.799 0.300 . 1 . . . . 11 LYS CA . 10305 1 48 . 1 1 11 11 LYS CB C 13 33.017 0.300 . 1 . . . . 11 LYS CB . 10305 1 49 . 1 1 11 11 LYS CD C 13 29.420 0.300 . 1 . . . . 11 LYS CD . 10305 1 50 . 1 1 11 11 LYS CE C 13 42.236 0.300 . 1 . . . . 11 LYS CE . 10305 1 51 . 1 1 11 11 LYS CG C 13 24.849 0.300 . 1 . . . . 11 LYS CG . 10305 1 52 . 1 1 11 11 LYS N N 15 126.011 0.300 . 1 . . . . 11 LYS N . 10305 1 53 . 1 1 12 12 PRO HA H 1 4.215 0.030 . 1 . . . . 12 PRO HA . 10305 1 54 . 1 1 12 12 PRO HB2 H 1 1.960 0.030 . 2 . . . . 12 PRO HB2 . 10305 1 55 . 1 1 12 12 PRO HB3 H 1 1.176 0.030 . 2 . . . . 12 PRO HB3 . 10305 1 56 . 1 1 12 12 PRO HD2 H 1 3.664 0.030 . 2 . . . . 12 PRO HD2 . 10305 1 57 . 1 1 12 12 PRO HD3 H 1 3.587 0.030 . 2 . . . . 12 PRO HD3 . 10305 1 58 . 1 1 12 12 PRO HG2 H 1 1.529 0.030 . 2 . . . . 12 PRO HG2 . 10305 1 59 . 1 1 12 12 PRO HG3 H 1 1.745 0.030 . 2 . . . . 12 PRO HG3 . 10305 1 60 . 1 1 12 12 PRO C C 13 176.320 0.300 . 1 . . . . 12 PRO C . 10305 1 61 . 1 1 12 12 PRO CA C 13 63.306 0.300 . 1 . . . . 12 PRO CA . 10305 1 62 . 1 1 12 12 PRO CB C 13 32.254 0.300 . 1 . . . . 12 PRO CB . 10305 1 63 . 1 1 12 12 PRO CD C 13 50.466 0.300 . 1 . . . . 12 PRO CD . 10305 1 64 . 1 1 12 12 PRO CG C 13 26.653 0.300 . 1 . . . . 12 PRO CG . 10305 1 65 . 1 1 13 13 TYR H H 1 7.851 0.030 . 1 . . . . 13 TYR H . 10305 1 66 . 1 1 13 13 TYR HA H 1 4.739 0.030 . 1 . . . . 13 TYR HA . 10305 1 67 . 1 1 13 13 TYR HB2 H 1 3.073 0.030 . 2 . . . . 13 TYR HB2 . 10305 1 68 . 1 1 13 13 TYR HB3 H 1 2.852 0.030 . 2 . . . . 13 TYR HB3 . 10305 1 69 . 1 1 13 13 TYR HD1 H 1 7.073 0.030 . 1 . . . . 13 TYR HD1 . 10305 1 70 . 1 1 13 13 TYR HD2 H 1 7.073 0.030 . 1 . . . . 13 TYR HD2 . 10305 1 71 . 1 1 13 13 TYR HE1 H 1 6.874 0.030 . 1 . . . . 13 TYR HE1 . 10305 1 72 . 1 1 13 13 TYR HE2 H 1 6.874 0.030 . 1 . . . . 13 TYR HE2 . 10305 1 73 . 1 1 13 13 TYR C C 13 174.557 0.300 . 1 . . . . 13 TYR C . 10305 1 74 . 1 1 13 13 TYR CA C 13 57.117 0.300 . 1 . . . . 13 TYR CA . 10305 1 75 . 1 1 13 13 TYR CB C 13 38.770 0.300 . 1 . . . . 13 TYR CB . 10305 1 76 . 1 1 13 13 TYR CD1 C 13 133.278 0.300 . 1 . . . . 13 TYR CD1 . 10305 1 77 . 1 1 13 13 TYR CD2 C 13 133.278 0.300 . 1 . . . . 13 TYR CD2 . 10305 1 78 . 1 1 13 13 TYR CE1 C 13 118.635 0.300 . 1 . . . . 13 TYR CE1 . 10305 1 79 . 1 1 13 13 TYR CE2 C 13 118.635 0.300 . 1 . . . . 13 TYR CE2 . 10305 1 80 . 1 1 13 13 TYR N N 15 117.800 0.300 . 1 . . . . 13 TYR N . 10305 1 81 . 1 1 14 14 MET H H 1 8.685 0.030 . 1 . . . . 14 MET H . 10305 1 82 . 1 1 14 14 MET HA H 1 5.047 0.030 . 1 . . . . 14 MET HA . 10305 1 83 . 1 1 14 14 MET HB2 H 1 1.853 0.030 . 1 . . . . 14 MET HB2 . 10305 1 84 . 1 1 14 14 MET HB3 H 1 1.853 0.030 . 1 . . . . 14 MET HB3 . 10305 1 85 . 1 1 14 14 MET HE1 H 1 1.949 0.030 . 1 . . . . 14 MET HE . 10305 1 86 . 1 1 14 14 MET HE2 H 1 1.949 0.030 . 1 . . . . 14 MET HE . 10305 1 87 . 1 1 14 14 MET HE3 H 1 1.949 0.030 . 1 . . . . 14 MET HE . 10305 1 88 . 1 1 14 14 MET HG2 H 1 2.240 0.030 . 1 . . . . 14 MET HG2 . 10305 1 89 . 1 1 14 14 MET HG3 H 1 2.240 0.030 . 1 . . . . 14 MET HG3 . 10305 1 90 . 1 1 14 14 MET C C 13 174.754 0.300 . 1 . . . . 14 MET C . 10305 1 91 . 1 1 14 14 MET CA C 13 54.198 0.300 . 1 . . . . 14 MET CA . 10305 1 92 . 1 1 14 14 MET CB C 13 35.048 0.300 . 1 . . . . 14 MET CB . 10305 1 93 . 1 1 14 14 MET CE C 13 16.594 0.300 . 1 . . . . 14 MET CE . 10305 1 94 . 1 1 14 14 MET CG C 13 31.408 0.300 . 1 . . . . 14 MET CG . 10305 1 95 . 1 1 14 14 MET N N 15 123.566 0.300 . 1 . . . . 14 MET N . 10305 1 96 . 1 1 15 15 CYS H H 1 9.178 0.030 . 1 . . . . 15 CYS H . 10305 1 97 . 1 1 15 15 CYS HA H 1 4.514 0.030 . 1 . . . . 15 CYS HA . 10305 1 98 . 1 1 15 15 CYS HB2 H 1 3.369 0.030 . 2 . . . . 15 CYS HB2 . 10305 1 99 . 1 1 15 15 CYS HB3 H 1 2.800 0.030 . 2 . . . . 15 CYS HB3 . 10305 1 100 . 1 1 15 15 CYS C C 13 176.846 0.300 . 1 . . . . 15 CYS C . 10305 1 101 . 1 1 15 15 CYS CA C 13 59.270 0.300 . 1 . . . . 15 CYS CA . 10305 1 102 . 1 1 15 15 CYS CB C 13 29.401 0.300 . 1 . . . . 15 CYS CB . 10305 1 103 . 1 1 15 15 CYS N N 15 126.280 0.300 . 1 . . . . 15 CYS N . 10305 1 104 . 1 1 16 16 ASN H H 1 9.344 0.030 . 1 . . . . 16 ASN H . 10305 1 105 . 1 1 16 16 ASN HA H 1 4.475 0.030 . 1 . . . . 16 ASN HA . 10305 1 106 . 1 1 16 16 ASN HB2 H 1 2.828 0.030 . 1 . . . . 16 ASN HB2 . 10305 1 107 . 1 1 16 16 ASN HB3 H 1 2.828 0.030 . 1 . . . . 16 ASN HB3 . 10305 1 108 . 1 1 16 16 ASN HD21 H 1 7.654 0.030 . 2 . . . . 16 ASN HD21 . 10305 1 109 . 1 1 16 16 ASN HD22 H 1 6.936 0.030 . 2 . . . . 16 ASN HD22 . 10305 1 110 . 1 1 16 16 ASN C C 13 175.457 0.300 . 1 . . . . 16 ASN C . 10305 1 111 . 1 1 16 16 ASN CA C 13 55.561 0.300 . 1 . . . . 16 ASN CA . 10305 1 112 . 1 1 16 16 ASN CB C 13 38.300 0.300 . 1 . . . . 16 ASN CB . 10305 1 113 . 1 1 16 16 ASN N N 15 130.073 0.300 . 1 . . . . 16 ASN N . 10305 1 114 . 1 1 16 16 ASN ND2 N 15 113.177 0.300 . 1 . . . . 16 ASN ND2 . 10305 1 115 . 1 1 17 17 GLU H H 1 8.544 0.030 . 1 . . . . 17 GLU H . 10305 1 116 . 1 1 17 17 GLU HA H 1 4.153 0.030 . 1 . . . . 17 GLU HA . 10305 1 117 . 1 1 17 17 GLU HB2 H 1 1.241 0.030 . 1 . . . . 17 GLU HB2 . 10305 1 118 . 1 1 17 17 GLU HB3 H 1 1.241 0.030 . 1 . . . . 17 GLU HB3 . 10305 1 119 . 1 1 17 17 GLU HG2 H 1 1.832 0.030 . 2 . . . . 17 GLU HG2 . 10305 1 120 . 1 1 17 17 GLU HG3 H 1 1.749 0.030 . 2 . . . . 17 GLU HG3 . 10305 1 121 . 1 1 17 17 GLU C C 13 177.127 0.300 . 1 . . . . 17 GLU C . 10305 1 122 . 1 1 17 17 GLU CA C 13 58.295 0.300 . 1 . . . . 17 GLU CA . 10305 1 123 . 1 1 17 17 GLU CB C 13 29.277 0.300 . 1 . . . . 17 GLU CB . 10305 1 124 . 1 1 17 17 GLU CG C 13 35.651 0.300 . 1 . . . . 17 GLU CG . 10305 1 125 . 1 1 17 17 GLU N N 15 120.324 0.300 . 1 . . . . 17 GLU N . 10305 1 126 . 1 1 18 18 CYS H H 1 7.767 0.030 . 1 . . . . 18 CYS H . 10305 1 127 . 1 1 18 18 CYS HA H 1 5.105 0.030 . 1 . . . . 18 CYS HA . 10305 1 128 . 1 1 18 18 CYS HB2 H 1 3.373 0.030 . 2 . . . . 18 CYS HB2 . 10305 1 129 . 1 1 18 18 CYS HB3 H 1 2.802 0.030 . 2 . . . . 18 CYS HB3 . 10305 1 130 . 1 1 18 18 CYS C C 13 176.226 0.300 . 1 . . . . 18 CYS C . 10305 1 131 . 1 1 18 18 CYS CA C 13 58.248 0.300 . 1 . . . . 18 CYS CA . 10305 1 132 . 1 1 18 18 CYS CB C 13 32.416 0.300 . 1 . . . . 18 CYS CB . 10305 1 133 . 1 1 18 18 CYS N N 15 114.212 0.300 . 1 . . . . 18 CYS N . 10305 1 134 . 1 1 19 19 GLY H H 1 8.198 0.030 . 1 . . . . 19 GLY H . 10305 1 135 . 1 1 19 19 GLY HA2 H 1 4.140 0.030 . 2 . . . . 19 GLY HA2 . 10305 1 136 . 1 1 19 19 GLY HA3 H 1 3.801 0.030 . 2 . . . . 19 GLY HA3 . 10305 1 137 . 1 1 19 19 GLY C C 13 173.548 0.300 . 1 . . . . 19 GLY C . 10305 1 138 . 1 1 19 19 GLY CA C 13 46.219 0.300 . 1 . . . . 19 GLY CA . 10305 1 139 . 1 1 19 19 GLY N N 15 113.692 0.300 . 1 . . . . 19 GLY N . 10305 1 140 . 1 1 20 20 LYS H H 1 7.821 0.030 . 1 . . . . 20 LYS H . 10305 1 141 . 1 1 20 20 LYS HA H 1 3.897 0.030 . 1 . . . . 20 LYS HA . 10305 1 142 . 1 1 20 20 LYS HB2 H 1 1.363 0.030 . 2 . . . . 20 LYS HB2 . 10305 1 143 . 1 1 20 20 LYS HB3 H 1 1.135 0.030 . 2 . . . . 20 LYS HB3 . 10305 1 144 . 1 1 20 20 LYS HD2 H 1 1.426 0.030 . 2 . . . . 20 LYS HD2 . 10305 1 145 . 1 1 20 20 LYS HD3 H 1 1.347 0.030 . 2 . . . . 20 LYS HD3 . 10305 1 146 . 1 1 20 20 LYS HE2 H 1 2.900 0.030 . 2 . . . . 20 LYS HE2 . 10305 1 147 . 1 1 20 20 LYS HE3 H 1 2.833 0.030 . 2 . . . . 20 LYS HE3 . 10305 1 148 . 1 1 20 20 LYS HG2 H 1 0.971 0.030 . 2 . . . . 20 LYS HG2 . 10305 1 149 . 1 1 20 20 LYS HG3 H 1 1.322 0.030 . 2 . . . . 20 LYS HG3 . 10305 1 150 . 1 1 20 20 LYS C C 13 173.480 0.300 . 1 . . . . 20 LYS C . 10305 1 151 . 1 1 20 20 LYS CA C 13 57.953 0.300 . 1 . . . . 20 LYS CA . 10305 1 152 . 1 1 20 20 LYS CB C 13 33.759 0.300 . 1 . . . . 20 LYS CB . 10305 1 153 . 1 1 20 20 LYS CD C 13 29.213 0.300 . 1 . . . . 20 LYS CD . 10305 1 154 . 1 1 20 20 LYS CE C 13 42.107 0.300 . 1 . . . . 20 LYS CE . 10305 1 155 . 1 1 20 20 LYS CG C 13 26.132 0.300 . 1 . . . . 20 LYS CG . 10305 1 156 . 1 1 20 20 LYS N N 15 122.506 0.300 . 1 . . . . 20 LYS N . 10305 1 157 . 1 1 21 21 ALA H H 1 7.727 0.030 . 1 . . . . 21 ALA H . 10305 1 158 . 1 1 21 21 ALA HA H 1 5.106 0.030 . 1 . . . . 21 ALA HA . 10305 1 159 . 1 1 21 21 ALA HB1 H 1 1.145 0.030 . 1 . . . . 21 ALA HB . 10305 1 160 . 1 1 21 21 ALA HB2 H 1 1.145 0.030 . 1 . . . . 21 ALA HB . 10305 1 161 . 1 1 21 21 ALA HB3 H 1 1.145 0.030 . 1 . . . . 21 ALA HB . 10305 1 162 . 1 1 21 21 ALA C C 13 176.410 0.300 . 1 . . . . 21 ALA C . 10305 1 163 . 1 1 21 21 ALA CA C 13 50.316 0.300 . 1 . . . . 21 ALA CA . 10305 1 164 . 1 1 21 21 ALA CB C 13 22.410 0.300 . 1 . . . . 21 ALA CB . 10305 1 165 . 1 1 21 21 ALA N N 15 124.115 0.300 . 1 . . . . 21 ALA N . 10305 1 166 . 1 1 22 22 PHE H H 1 8.771 0.030 . 1 . . . . 22 PHE H . 10305 1 167 . 1 1 22 22 PHE HA H 1 4.717 0.030 . 1 . . . . 22 PHE HA . 10305 1 168 . 1 1 22 22 PHE HB2 H 1 2.613 0.030 . 2 . . . . 22 PHE HB2 . 10305 1 169 . 1 1 22 22 PHE HB3 H 1 3.285 0.030 . 2 . . . . 22 PHE HB3 . 10305 1 170 . 1 1 22 22 PHE HD1 H 1 7.140 0.030 . 1 . . . . 22 PHE HD1 . 10305 1 171 . 1 1 22 22 PHE HD2 H 1 7.140 0.030 . 1 . . . . 22 PHE HD2 . 10305 1 172 . 1 1 22 22 PHE HE1 H 1 6.783 0.030 . 1 . . . . 22 PHE HE1 . 10305 1 173 . 1 1 22 22 PHE HE2 H 1 6.783 0.030 . 1 . . . . 22 PHE HE2 . 10305 1 174 . 1 1 22 22 PHE HZ H 1 6.143 0.030 . 1 . . . . 22 PHE HZ . 10305 1 175 . 1 1 22 22 PHE C C 13 175.423 0.300 . 1 . . . . 22 PHE C . 10305 1 176 . 1 1 22 22 PHE CA C 13 57.244 0.300 . 1 . . . . 22 PHE CA . 10305 1 177 . 1 1 22 22 PHE CB C 13 43.702 0.300 . 1 . . . . 22 PHE CB . 10305 1 178 . 1 1 22 22 PHE CD1 C 13 132.390 0.300 . 1 . . . . 22 PHE CD1 . 10305 1 179 . 1 1 22 22 PHE CD2 C 13 132.390 0.300 . 1 . . . . 22 PHE CD2 . 10305 1 180 . 1 1 22 22 PHE CE1 C 13 130.618 0.300 . 1 . . . . 22 PHE CE1 . 10305 1 181 . 1 1 22 22 PHE CE2 C 13 130.618 0.300 . 1 . . . . 22 PHE CE2 . 10305 1 182 . 1 1 22 22 PHE CZ C 13 128.607 0.300 . 1 . . . . 22 PHE CZ . 10305 1 183 . 1 1 22 22 PHE N N 15 116.817 0.300 . 1 . . . . 22 PHE N . 10305 1 184 . 1 1 23 23 SER HA H 1 4.618 0.030 . 1 . . . . 23 SER HA . 10305 1 185 . 1 1 23 23 SER HB2 H 1 4.041 0.030 . 2 . . . . 23 SER HB2 . 10305 1 186 . 1 1 23 23 SER HB3 H 1 4.012 0.030 . 2 . . . . 23 SER HB3 . 10305 1 187 . 1 1 23 23 SER C C 13 173.792 0.300 . 1 . . . . 23 SER C . 10305 1 188 . 1 1 23 23 SER CA C 13 60.506 0.300 . 1 . . . . 23 SER CA . 10305 1 189 . 1 1 23 23 SER CB C 13 64.106 0.300 . 1 . . . . 23 SER CB . 10305 1 190 . 1 1 24 24 VAL H H 1 7.424 0.030 . 1 . . . . 24 VAL H . 10305 1 191 . 1 1 24 24 VAL HA H 1 4.596 0.030 . 1 . . . . 24 VAL HA . 10305 1 192 . 1 1 24 24 VAL HB H 1 2.145 0.030 . 1 . . . . 24 VAL HB . 10305 1 193 . 1 1 24 24 VAL HG11 H 1 1.033 0.030 . 1 . . . . 24 VAL HG1 . 10305 1 194 . 1 1 24 24 VAL HG12 H 1 1.033 0.030 . 1 . . . . 24 VAL HG1 . 10305 1 195 . 1 1 24 24 VAL HG13 H 1 1.033 0.030 . 1 . . . . 24 VAL HG1 . 10305 1 196 . 1 1 24 24 VAL HG21 H 1 0.954 0.030 . 1 . . . . 24 VAL HG2 . 10305 1 197 . 1 1 24 24 VAL HG22 H 1 0.954 0.030 . 1 . . . . 24 VAL HG2 . 10305 1 198 . 1 1 24 24 VAL HG23 H 1 0.954 0.030 . 1 . . . . 24 VAL HG2 . 10305 1 199 . 1 1 24 24 VAL C C 13 176.231 0.300 . 1 . . . . 24 VAL C . 10305 1 200 . 1 1 24 24 VAL CA C 13 60.495 0.300 . 1 . . . . 24 VAL CA . 10305 1 201 . 1 1 24 24 VAL CB C 13 34.900 0.300 . 1 . . . . 24 VAL CB . 10305 1 202 . 1 1 24 24 VAL CG1 C 13 21.952 0.300 . 2 . . . . 24 VAL CG1 . 10305 1 203 . 1 1 24 24 VAL CG2 C 13 20.472 0.300 . 2 . . . . 24 VAL CG2 . 10305 1 204 . 1 1 24 24 VAL N N 15 117.067 0.300 . 1 . . . . 24 VAL N . 10305 1 205 . 1 1 25 25 TYR H H 1 8.818 0.030 . 1 . . . . 25 TYR H . 10305 1 206 . 1 1 25 25 TYR HA H 1 3.167 0.030 . 1 . . . . 25 TYR HA . 10305 1 207 . 1 1 25 25 TYR HB2 H 1 2.601 0.030 . 2 . . . . 25 TYR HB2 . 10305 1 208 . 1 1 25 25 TYR HB3 H 1 2.243 0.030 . 2 . . . . 25 TYR HB3 . 10305 1 209 . 1 1 25 25 TYR HD1 H 1 6.647 0.030 . 1 . . . . 25 TYR HD1 . 10305 1 210 . 1 1 25 25 TYR HD2 H 1 6.647 0.030 . 1 . . . . 25 TYR HD2 . 10305 1 211 . 1 1 25 25 TYR HE1 H 1 6.667 0.030 . 1 . . . . 25 TYR HE1 . 10305 1 212 . 1 1 25 25 TYR HE2 H 1 6.667 0.030 . 1 . . . . 25 TYR HE2 . 10305 1 213 . 1 1 25 25 TYR C C 13 177.383 0.300 . 1 . . . . 25 TYR C . 10305 1 214 . 1 1 25 25 TYR CA C 13 62.032 0.300 . 1 . . . . 25 TYR CA . 10305 1 215 . 1 1 25 25 TYR CB C 13 37.578 0.300 . 1 . . . . 25 TYR CB . 10305 1 216 . 1 1 25 25 TYR CD1 C 13 132.657 0.300 . 1 . . . . 25 TYR CD1 . 10305 1 217 . 1 1 25 25 TYR CD2 C 13 132.657 0.300 . 1 . . . . 25 TYR CD2 . 10305 1 218 . 1 1 25 25 TYR CE1 C 13 118.194 0.300 . 1 . . . . 25 TYR CE1 . 10305 1 219 . 1 1 25 25 TYR CE2 C 13 118.194 0.300 . 1 . . . . 25 TYR CE2 . 10305 1 220 . 1 1 25 25 TYR N N 15 129.886 0.300 . 1 . . . . 25 TYR N . 10305 1 221 . 1 1 26 26 SER H H 1 8.463 0.030 . 1 . . . . 26 SER H . 10305 1 222 . 1 1 26 26 SER HA H 1 4.033 0.030 . 1 . . . . 26 SER HA . 10305 1 223 . 1 1 26 26 SER HB2 H 1 3.827 0.030 . 2 . . . . 26 SER HB2 . 10305 1 224 . 1 1 26 26 SER HB3 H 1 3.788 0.030 . 2 . . . . 26 SER HB3 . 10305 1 225 . 1 1 26 26 SER C C 13 176.962 0.300 . 1 . . . . 26 SER C . 10305 1 226 . 1 1 26 26 SER CA C 13 60.410 0.300 . 1 . . . . 26 SER CA . 10305 1 227 . 1 1 26 26 SER CB C 13 61.747 0.300 . 1 . . . . 26 SER CB . 10305 1 228 . 1 1 26 26 SER N N 15 112.255 0.300 . 1 . . . . 26 SER N . 10305 1 229 . 1 1 27 27 SER H H 1 7.130 0.030 . 1 . . . . 27 SER H . 10305 1 230 . 1 1 27 27 SER HA H 1 4.144 0.030 . 1 . . . . 27 SER HA . 10305 1 231 . 1 1 27 27 SER HB2 H 1 3.862 0.030 . 2 . . . . 27 SER HB2 . 10305 1 232 . 1 1 27 27 SER HB3 H 1 4.033 0.030 . 2 . . . . 27 SER HB3 . 10305 1 233 . 1 1 27 27 SER C C 13 175.829 0.300 . 1 . . . . 27 SER C . 10305 1 234 . 1 1 27 27 SER CA C 13 61.124 0.300 . 1 . . . . 27 SER CA . 10305 1 235 . 1 1 27 27 SER CB C 13 62.412 0.300 . 1 . . . . 27 SER CB . 10305 1 236 . 1 1 27 27 SER N N 15 117.914 0.300 . 1 . . . . 27 SER N . 10305 1 237 . 1 1 28 28 LEU H H 1 6.907 0.030 . 1 . . . . 28 LEU H . 10305 1 238 . 1 1 28 28 LEU HA H 1 3.053 0.030 . 1 . . . . 28 LEU HA . 10305 1 239 . 1 1 28 28 LEU HB2 H 1 1.863 0.030 . 2 . . . . 28 LEU HB2 . 10305 1 240 . 1 1 28 28 LEU HB3 H 1 0.967 0.030 . 2 . . . . 28 LEU HB3 . 10305 1 241 . 1 1 28 28 LEU HD11 H 1 0.873 0.030 . 1 . . . . 28 LEU HD1 . 10305 1 242 . 1 1 28 28 LEU HD12 H 1 0.873 0.030 . 1 . . . . 28 LEU HD1 . 10305 1 243 . 1 1 28 28 LEU HD13 H 1 0.873 0.030 . 1 . . . . 28 LEU HD1 . 10305 1 244 . 1 1 28 28 LEU HD21 H 1 0.877 0.030 . 1 . . . . 28 LEU HD2 . 10305 1 245 . 1 1 28 28 LEU HD22 H 1 0.877 0.030 . 1 . . . . 28 LEU HD2 . 10305 1 246 . 1 1 28 28 LEU HD23 H 1 0.877 0.030 . 1 . . . . 28 LEU HD2 . 10305 1 247 . 1 1 28 28 LEU HG H 1 1.202 0.030 . 1 . . . . 28 LEU HG . 10305 1 248 . 1 1 28 28 LEU C C 13 177.895 0.300 . 1 . . . . 28 LEU C . 10305 1 249 . 1 1 28 28 LEU CA C 13 57.828 0.300 . 1 . . . . 28 LEU CA . 10305 1 250 . 1 1 28 28 LEU CB C 13 39.673 0.300 . 1 . . . . 28 LEU CB . 10305 1 251 . 1 1 28 28 LEU CD1 C 13 26.318 0.300 . 2 . . . . 28 LEU CD1 . 10305 1 252 . 1 1 28 28 LEU CD2 C 13 23.026 0.300 . 2 . . . . 28 LEU CD2 . 10305 1 253 . 1 1 28 28 LEU CG C 13 27.444 0.300 . 1 . . . . 28 LEU CG . 10305 1 254 . 1 1 28 28 LEU N N 15 124.365 0.300 . 1 . . . . 28 LEU N . 10305 1 255 . 1 1 29 29 THR H H 1 7.829 0.030 . 1 . . . . 29 THR H . 10305 1 256 . 1 1 29 29 THR HA H 1 3.794 0.030 . 1 . . . . 29 THR HA . 10305 1 257 . 1 1 29 29 THR HB H 1 3.967 0.030 . 1 . . . . 29 THR HB . 10305 1 258 . 1 1 29 29 THR HG21 H 1 0.745 0.030 . 1 . . . . 29 THR HG2 . 10305 1 259 . 1 1 29 29 THR HG22 H 1 0.745 0.030 . 1 . . . . 29 THR HG2 . 10305 1 260 . 1 1 29 29 THR HG23 H 1 0.745 0.030 . 1 . . . . 29 THR HG2 . 10305 1 261 . 1 1 29 29 THR C C 13 177.984 0.300 . 1 . . . . 29 THR C . 10305 1 262 . 1 1 29 29 THR CA C 13 65.770 0.300 . 1 . . . . 29 THR CA . 10305 1 263 . 1 1 29 29 THR CB C 13 67.758 0.300 . 1 . . . . 29 THR CB . 10305 1 264 . 1 1 29 29 THR CG2 C 13 21.900 0.300 . 1 . . . . 29 THR CG2 . 10305 1 265 . 1 1 29 29 THR N N 15 112.539 0.300 . 1 . . . . 29 THR N . 10305 1 266 . 1 1 30 30 THR H H 1 7.643 0.030 . 1 . . . . 30 THR H . 10305 1 267 . 1 1 30 30 THR HA H 1 3.869 0.030 . 1 . . . . 30 THR HA . 10305 1 268 . 1 1 30 30 THR HB H 1 3.985 0.030 . 1 . . . . 30 THR HB . 10305 1 269 . 1 1 30 30 THR HG21 H 1 1.141 0.030 . 1 . . . . 30 THR HG2 . 10305 1 270 . 1 1 30 30 THR HG22 H 1 1.141 0.030 . 1 . . . . 30 THR HG2 . 10305 1 271 . 1 1 30 30 THR HG23 H 1 1.141 0.030 . 1 . . . . 30 THR HG2 . 10305 1 272 . 1 1 30 30 THR C C 13 175.944 0.300 . 1 . . . . 30 THR C . 10305 1 273 . 1 1 30 30 THR CA C 13 66.042 0.300 . 1 . . . . 30 THR CA . 10305 1 274 . 1 1 30 30 THR CB C 13 68.742 0.300 . 1 . . . . 30 THR CB . 10305 1 275 . 1 1 30 30 THR CG2 C 13 21.786 0.300 . 1 . . . . 30 THR CG2 . 10305 1 276 . 1 1 30 30 THR N N 15 117.552 0.300 . 1 . . . . 30 THR N . 10305 1 277 . 1 1 31 31 HIS H H 1 7.265 0.030 . 1 . . . . 31 HIS H . 10305 1 278 . 1 1 31 31 HIS HA H 1 4.166 0.030 . 1 . . . . 31 HIS HA . 10305 1 279 . 1 1 31 31 HIS HB2 H 1 3.145 0.030 . 2 . . . . 31 HIS HB2 . 10305 1 280 . 1 1 31 31 HIS HB3 H 1 2.889 0.030 . 2 . . . . 31 HIS HB3 . 10305 1 281 . 1 1 31 31 HIS HD2 H 1 6.848 0.030 . 1 . . . . 31 HIS HD2 . 10305 1 282 . 1 1 31 31 HIS HE1 H 1 7.992 0.030 . 1 . . . . 31 HIS HE1 . 10305 1 283 . 1 1 31 31 HIS C C 13 176.140 0.300 . 1 . . . . 31 HIS C . 10305 1 284 . 1 1 31 31 HIS CA C 13 59.026 0.300 . 1 . . . . 31 HIS CA . 10305 1 285 . 1 1 31 31 HIS CB C 13 28.499 0.300 . 1 . . . . 31 HIS CB . 10305 1 286 . 1 1 31 31 HIS CD2 C 13 127.047 0.300 . 1 . . . . 31 HIS CD2 . 10305 1 287 . 1 1 31 31 HIS CE1 C 13 139.735 0.300 . 1 . . . . 31 HIS CE1 . 10305 1 288 . 1 1 31 31 HIS N N 15 121.232 0.300 . 1 . . . . 31 HIS N . 10305 1 289 . 1 1 32 32 GLN H H 1 8.069 0.030 . 1 . . . . 32 GLN H . 10305 1 290 . 1 1 32 32 GLN HA H 1 3.542 0.030 . 1 . . . . 32 GLN HA . 10305 1 291 . 1 1 32 32 GLN HB2 H 1 2.196 0.030 . 2 . . . . 32 GLN HB2 . 10305 1 292 . 1 1 32 32 GLN HB3 H 1 2.128 0.030 . 2 . . . . 32 GLN HB3 . 10305 1 293 . 1 1 32 32 GLN HE21 H 1 6.924 0.030 . 2 . . . . 32 GLN HE21 . 10305 1 294 . 1 1 32 32 GLN HE22 H 1 7.561 0.030 . 2 . . . . 32 GLN HE22 . 10305 1 295 . 1 1 32 32 GLN HG2 H 1 2.728 0.030 . 1 . . . . 32 GLN HG2 . 10305 1 296 . 1 1 32 32 GLN HG3 H 1 2.728 0.030 . 1 . . . . 32 GLN HG3 . 10305 1 297 . 1 1 32 32 GLN C C 13 177.054 0.300 . 1 . . . . 32 GLN C . 10305 1 298 . 1 1 32 32 GLN CA C 13 59.440 0.300 . 1 . . . . 32 GLN CA . 10305 1 299 . 1 1 32 32 GLN CB C 13 28.364 0.300 . 1 . . . . 32 GLN CB . 10305 1 300 . 1 1 32 32 GLN CG C 13 35.322 0.300 . 1 . . . . 32 GLN CG . 10305 1 301 . 1 1 32 32 GLN N N 15 114.055 0.300 . 1 . . . . 32 GLN N . 10305 1 302 . 1 1 32 32 GLN NE2 N 15 112.130 0.300 . 1 . . . . 32 GLN NE2 . 10305 1 303 . 1 1 33 33 VAL H H 1 6.868 0.030 . 1 . . . . 33 VAL H . 10305 1 304 . 1 1 33 33 VAL HA H 1 3.815 0.030 . 1 . . . . 33 VAL HA . 10305 1 305 . 1 1 33 33 VAL HB H 1 2.035 0.030 . 1 . . . . 33 VAL HB . 10305 1 306 . 1 1 33 33 VAL HG11 H 1 0.874 0.030 . 1 . . . . 33 VAL HG1 . 10305 1 307 . 1 1 33 33 VAL HG12 H 1 0.874 0.030 . 1 . . . . 33 VAL HG1 . 10305 1 308 . 1 1 33 33 VAL HG13 H 1 0.874 0.030 . 1 . . . . 33 VAL HG1 . 10305 1 309 . 1 1 33 33 VAL HG21 H 1 0.957 0.030 . 1 . . . . 33 VAL HG2 . 10305 1 310 . 1 1 33 33 VAL HG22 H 1 0.957 0.030 . 1 . . . . 33 VAL HG2 . 10305 1 311 . 1 1 33 33 VAL HG23 H 1 0.957 0.030 . 1 . . . . 33 VAL HG2 . 10305 1 312 . 1 1 33 33 VAL C C 13 178.197 0.300 . 1 . . . . 33 VAL C . 10305 1 313 . 1 1 33 33 VAL CA C 13 64.448 0.300 . 1 . . . . 33 VAL CA . 10305 1 314 . 1 1 33 33 VAL CB C 13 31.624 0.300 . 1 . . . . 33 VAL CB . 10305 1 315 . 1 1 33 33 VAL CG1 C 13 20.986 0.300 . 2 . . . . 33 VAL CG1 . 10305 1 316 . 1 1 33 33 VAL CG2 C 13 21.186 0.300 . 2 . . . . 33 VAL CG2 . 10305 1 317 . 1 1 33 33 VAL N N 15 117.028 0.300 . 1 . . . . 33 VAL N . 10305 1 318 . 1 1 34 34 ILE H H 1 7.605 0.030 . 1 . . . . 34 ILE H . 10305 1 319 . 1 1 34 34 ILE HA H 1 3.886 0.030 . 1 . . . . 34 ILE HA . 10305 1 320 . 1 1 34 34 ILE HB H 1 1.600 0.030 . 1 . . . . 34 ILE HB . 10305 1 321 . 1 1 34 34 ILE HD11 H 1 0.637 0.030 . 1 . . . . 34 ILE HD1 . 10305 1 322 . 1 1 34 34 ILE HD12 H 1 0.637 0.030 . 1 . . . . 34 ILE HD1 . 10305 1 323 . 1 1 34 34 ILE HD13 H 1 0.637 0.030 . 1 . . . . 34 ILE HD1 . 10305 1 324 . 1 1 34 34 ILE HG12 H 1 0.838 0.030 . 2 . . . . 34 ILE HG12 . 10305 1 325 . 1 1 34 34 ILE HG13 H 1 0.638 0.030 . 2 . . . . 34 ILE HG13 . 10305 1 326 . 1 1 34 34 ILE HG21 H 1 0.478 0.030 . 1 . . . . 34 ILE HG2 . 10305 1 327 . 1 1 34 34 ILE HG22 H 1 0.478 0.030 . 1 . . . . 34 ILE HG2 . 10305 1 328 . 1 1 34 34 ILE HG23 H 1 0.478 0.030 . 1 . . . . 34 ILE HG2 . 10305 1 329 . 1 1 34 34 ILE C C 13 177.091 0.300 . 1 . . . . 34 ILE C . 10305 1 330 . 1 1 34 34 ILE CA C 13 63.199 0.300 . 1 . . . . 34 ILE CA . 10305 1 331 . 1 1 34 34 ILE CB C 13 37.588 0.300 . 1 . . . . 34 ILE CB . 10305 1 332 . 1 1 34 34 ILE CD1 C 13 14.364 0.300 . 1 . . . . 34 ILE CD1 . 10305 1 333 . 1 1 34 34 ILE CG1 C 13 26.561 0.300 . 1 . . . . 34 ILE CG1 . 10305 1 334 . 1 1 34 34 ILE CG2 C 13 16.348 0.300 . 1 . . . . 34 ILE CG2 . 10305 1 335 . 1 1 34 34 ILE N N 15 117.681 0.300 . 1 . . . . 34 ILE N . 10305 1 336 . 1 1 35 35 HIS H H 1 7.200 0.030 . 1 . . . . 35 HIS H . 10305 1 337 . 1 1 35 35 HIS HA H 1 4.839 0.030 . 1 . . . . 35 HIS HA . 10305 1 338 . 1 1 35 35 HIS HB2 H 1 3.311 0.030 . 2 . . . . 35 HIS HB2 . 10305 1 339 . 1 1 35 35 HIS HB3 H 1 3.145 0.030 . 2 . . . . 35 HIS HB3 . 10305 1 340 . 1 1 35 35 HIS HD2 H 1 6.702 0.030 . 1 . . . . 35 HIS HD2 . 10305 1 341 . 1 1 35 35 HIS HE1 H 1 8.009 0.030 . 1 . . . . 35 HIS HE1 . 10305 1 342 . 1 1 35 35 HIS C C 13 175.772 0.300 . 1 . . . . 35 HIS C . 10305 1 343 . 1 1 35 35 HIS CA C 13 55.092 0.300 . 1 . . . . 35 HIS CA . 10305 1 344 . 1 1 35 35 HIS CB C 13 28.491 0.300 . 1 . . . . 35 HIS CB . 10305 1 345 . 1 1 35 35 HIS CD2 C 13 127.692 0.300 . 1 . . . . 35 HIS CD2 . 10305 1 346 . 1 1 35 35 HIS CE1 C 13 140.030 0.300 . 1 . . . . 35 HIS CE1 . 10305 1 347 . 1 1 35 35 HIS N N 15 117.259 0.300 . 1 . . . . 35 HIS N . 10305 1 348 . 1 1 36 36 THR H H 1 7.769 0.030 . 1 . . . . 36 THR H . 10305 1 349 . 1 1 36 36 THR HA H 1 4.289 0.030 . 1 . . . . 36 THR HA . 10305 1 350 . 1 1 36 36 THR HB H 1 4.271 0.030 . 1 . . . . 36 THR HB . 10305 1 351 . 1 1 36 36 THR HG21 H 1 1.195 0.030 . 1 . . . . 36 THR HG2 . 10305 1 352 . 1 1 36 36 THR HG22 H 1 1.195 0.030 . 1 . . . . 36 THR HG2 . 10305 1 353 . 1 1 36 36 THR HG23 H 1 1.195 0.030 . 1 . . . . 36 THR HG2 . 10305 1 354 . 1 1 36 36 THR C C 13 175.498 0.300 . 1 . . . . 36 THR C . 10305 1 355 . 1 1 36 36 THR CA C 13 62.715 0.300 . 1 . . . . 36 THR CA . 10305 1 356 . 1 1 36 36 THR CB C 13 69.937 0.300 . 1 . . . . 36 THR CB . 10305 1 357 . 1 1 36 36 THR CG2 C 13 21.518 0.300 . 1 . . . . 36 THR CG2 . 10305 1 358 . 1 1 36 36 THR N N 15 112.044 0.300 . 1 . . . . 36 THR N . 10305 1 359 . 1 1 37 37 GLY H H 1 8.275 0.030 . 1 . . . . 37 GLY H . 10305 1 360 . 1 1 37 37 GLY HA2 H 1 3.933 0.030 . 1 . . . . 37 GLY HA2 . 10305 1 361 . 1 1 37 37 GLY HA3 H 1 3.933 0.030 . 1 . . . . 37 GLY HA3 . 10305 1 362 . 1 1 37 37 GLY C C 13 173.930 0.300 . 1 . . . . 37 GLY C . 10305 1 363 . 1 1 37 37 GLY CA C 13 45.222 0.300 . 1 . . . . 37 GLY CA . 10305 1 364 . 1 1 37 37 GLY N N 15 110.785 0.300 . 1 . . . . 37 GLY N . 10305 1 365 . 1 1 38 38 GLU H H 1 8.064 0.030 . 1 . . . . 38 GLU H . 10305 1 366 . 1 1 38 38 GLU HA H 1 4.200 0.030 . 1 . . . . 38 GLU HA . 10305 1 367 . 1 1 38 38 GLU HB2 H 1 1.941 0.030 . 2 . . . . 38 GLU HB2 . 10305 1 368 . 1 1 38 38 GLU HB3 H 1 1.857 0.030 . 2 . . . . 38 GLU HB3 . 10305 1 369 . 1 1 38 38 GLU HG2 H 1 2.216 0.030 . 2 . . . . 38 GLU HG2 . 10305 1 370 . 1 1 38 38 GLU HG3 H 1 2.153 0.030 . 2 . . . . 38 GLU HG3 . 10305 1 371 . 1 1 38 38 GLU C C 13 176.191 0.300 . 1 . . . . 38 GLU C . 10305 1 372 . 1 1 38 38 GLU CA C 13 56.298 0.300 . 1 . . . . 38 GLU CA . 10305 1 373 . 1 1 38 38 GLU CB C 13 30.499 0.300 . 1 . . . . 38 GLU CB . 10305 1 374 . 1 1 38 38 GLU CG C 13 36.182 0.300 . 1 . . . . 38 GLU CG . 10305 1 375 . 1 1 38 38 GLU N N 15 120.378 0.300 . 1 . . . . 38 GLU N . 10305 1 376 . 1 1 39 39 LYS H H 1 8.382 0.030 . 1 . . . . 39 LYS H . 10305 1 377 . 1 1 39 39 LYS HA H 1 4.552 0.030 . 1 . . . . 39 LYS HA . 10305 1 378 . 1 1 39 39 LYS HB2 H 1 1.672 0.030 . 2 . . . . 39 LYS HB2 . 10305 1 379 . 1 1 39 39 LYS HB3 H 1 1.759 0.030 . 2 . . . . 39 LYS HB3 . 10305 1 380 . 1 1 39 39 LYS HD2 H 1 1.627 0.030 . 1 . . . . 39 LYS HD2 . 10305 1 381 . 1 1 39 39 LYS HD3 H 1 1.627 0.030 . 1 . . . . 39 LYS HD3 . 10305 1 382 . 1 1 39 39 LYS HE2 H 1 2.941 0.030 . 1 . . . . 39 LYS HE2 . 10305 1 383 . 1 1 39 39 LYS HE3 H 1 2.941 0.030 . 1 . . . . 39 LYS HE3 . 10305 1 384 . 1 1 39 39 LYS HG2 H 1 1.409 0.030 . 1 . . . . 39 LYS HG2 . 10305 1 385 . 1 1 39 39 LYS HG3 H 1 1.409 0.030 . 1 . . . . 39 LYS HG3 . 10305 1 386 . 1 1 39 39 LYS C C 13 174.477 0.300 . 1 . . . . 39 LYS C . 10305 1 387 . 1 1 39 39 LYS CA C 13 54.038 0.300 . 1 . . . . 39 LYS CA . 10305 1 388 . 1 1 39 39 LYS CB C 13 32.401 0.300 . 1 . . . . 39 LYS CB . 10305 1 389 . 1 1 39 39 LYS CD C 13 29.078 0.300 . 1 . . . . 39 LYS CD . 10305 1 390 . 1 1 39 39 LYS CE C 13 42.130 0.300 . 1 . . . . 39 LYS CE . 10305 1 391 . 1 1 39 39 LYS CG C 13 24.426 0.300 . 1 . . . . 39 LYS CG . 10305 1 392 . 1 1 39 39 LYS N N 15 123.819 0.300 . 1 . . . . 39 LYS N . 10305 1 393 . 1 1 40 40 PRO HA H 1 4.417 0.030 . 1 . . . . 40 PRO HA . 10305 1 394 . 1 1 40 40 PRO HB2 H 1 2.258 0.030 . 2 . . . . 40 PRO HB2 . 10305 1 395 . 1 1 40 40 PRO HB3 H 1 1.881 0.030 . 2 . . . . 40 PRO HB3 . 10305 1 396 . 1 1 40 40 PRO HD2 H 1 3.588 0.030 . 2 . . . . 40 PRO HD2 . 10305 1 397 . 1 1 40 40 PRO HD3 H 1 3.770 0.030 . 2 . . . . 40 PRO HD3 . 10305 1 398 . 1 1 40 40 PRO HG2 H 1 1.963 0.030 . 1 . . . . 40 PRO HG2 . 10305 1 399 . 1 1 40 40 PRO HG3 H 1 1.963 0.030 . 1 . . . . 40 PRO HG3 . 10305 1 400 . 1 1 40 40 PRO C C 13 177.023 0.300 . 1 . . . . 40 PRO C . 10305 1 401 . 1 1 40 40 PRO CA C 13 63.158 0.300 . 1 . . . . 40 PRO CA . 10305 1 402 . 1 1 40 40 PRO CB C 13 32.125 0.300 . 1 . . . . 40 PRO CB . 10305 1 403 . 1 1 40 40 PRO CD C 13 50.637 0.300 . 1 . . . . 40 PRO CD . 10305 1 404 . 1 1 40 40 PRO CG C 13 27.317 0.300 . 1 . . . . 40 PRO CG . 10305 1 405 . 1 1 41 41 SER H H 1 8.480 0.030 . 1 . . . . 41 SER H . 10305 1 406 . 1 1 41 41 SER HA H 1 4.435 0.030 . 1 . . . . 41 SER HA . 10305 1 407 . 1 1 41 41 SER HB2 H 1 3.837 0.030 . 1 . . . . 41 SER HB2 . 10305 1 408 . 1 1 41 41 SER HB3 H 1 3.837 0.030 . 1 . . . . 41 SER HB3 . 10305 1 409 . 1 1 41 41 SER C C 13 174.656 0.300 . 1 . . . . 41 SER C . 10305 1 410 . 1 1 41 41 SER CA C 13 58.280 0.300 . 1 . . . . 41 SER CA . 10305 1 411 . 1 1 41 41 SER CB C 13 63.924 0.300 . 1 . . . . 41 SER CB . 10305 1 412 . 1 1 41 41 SER N N 15 116.637 0.300 . 1 . . . . 41 SER N . 10305 1 413 . 1 1 42 42 GLY HA2 H 1 4.042 0.030 . 2 . . . . 42 GLY HA2 . 10305 1 414 . 1 1 42 42 GLY HA3 H 1 4.110 0.030 . 2 . . . . 42 GLY HA3 . 10305 1 415 . 1 1 42 42 GLY CA C 13 44.613 0.300 . 1 . . . . 42 GLY CA . 10305 1 416 . 1 1 43 43 PRO HA H 1 4.417 0.030 . 1 . . . . 43 PRO HA . 10305 1 417 . 1 1 43 43 PRO HB2 H 1 2.257 0.030 . 2 . . . . 43 PRO HB2 . 10305 1 418 . 1 1 43 43 PRO HB3 H 1 1.918 0.030 . 2 . . . . 43 PRO HB3 . 10305 1 419 . 1 1 43 43 PRO HD2 H 1 3.572 0.030 . 1 . . . . 43 PRO HD2 . 10305 1 420 . 1 1 43 43 PRO HD3 H 1 3.572 0.030 . 1 . . . . 43 PRO HD3 . 10305 1 421 . 1 1 43 43 PRO HG2 H 1 1.962 0.030 . 1 . . . . 43 PRO HG2 . 10305 1 422 . 1 1 43 43 PRO HG3 H 1 1.962 0.030 . 1 . . . . 43 PRO HG3 . 10305 1 423 . 1 1 43 43 PRO CA C 13 63.157 0.300 . 1 . . . . 43 PRO CA . 10305 1 424 . 1 1 43 43 PRO CB C 13 32.173 0.300 . 1 . . . . 43 PRO CB . 10305 1 425 . 1 1 43 43 PRO CD C 13 49.732 0.300 . 1 . . . . 43 PRO CD . 10305 1 426 . 1 1 43 43 PRO CG C 13 27.110 0.300 . 1 . . . . 43 PRO CG . 10305 1 427 . 1 1 45 45 SER HA H 1 4.449 0.030 . 1 . . . . 45 SER HA . 10305 1 428 . 1 1 45 45 SER HB2 H 1 3.832 0.030 . 1 . . . . 45 SER HB2 . 10305 1 429 . 1 1 45 45 SER HB3 H 1 3.832 0.030 . 1 . . . . 45 SER HB3 . 10305 1 430 . 1 1 45 45 SER C C 13 173.895 0.300 . 1 . . . . 45 SER C . 10305 1 431 . 1 1 45 45 SER CA C 13 58.424 0.300 . 1 . . . . 45 SER CA . 10305 1 432 . 1 1 45 45 SER CB C 13 63.988 0.300 . 1 . . . . 45 SER CB . 10305 1 433 . 1 1 46 46 GLY H H 1 8.021 0.030 . 1 . . . . 46 GLY H . 10305 1 434 . 1 1 46 46 GLY HA2 H 1 3.695 0.030 . 2 . . . . 46 GLY HA2 . 10305 1 435 . 1 1 46 46 GLY HA3 H 1 3.744 0.030 . 2 . . . . 46 GLY HA3 . 10305 1 436 . 1 1 46 46 GLY C C 13 178.970 0.300 . 1 . . . . 46 GLY C . 10305 1 437 . 1 1 46 46 GLY CA C 13 46.148 0.300 . 1 . . . . 46 GLY CA . 10305 1 438 . 1 1 46 46 GLY N N 15 116.848 0.300 . 1 . . . . 46 GLY N . 10305 1 stop_ save_