################################### # 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16969 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 1H-13C NOESY' . . . 16969 1 2 '3D 1H-15N NOESY' . . . 16969 1 3 HNCO . . . 16969 1 4 HNCACB . . . 16969 1 5 HNCOCACB . . . 16969 1 6 HCC(H)-TOCSY . . . 16969 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 1 1 GLY HA2 H 1 3.782 0.020 . 2 . . . . 95 GLY HA2 . 16969 1 2 . 1 1 1 1 GLY HA3 H 1 3.782 0.020 . 2 . . . . 95 GLY HA3 . 16969 1 3 . 1 1 1 1 GLY CA C 13 46.163 0.200 . 1 . . . . 95 GLY CA . 16969 1 4 . 1 1 2 2 ALA HA H 1 4.369 0.020 . 1 . . . . 96 ALA HA . 16969 1 5 . 1 1 2 2 ALA HB1 H 1 1.421 0.020 . 1 . . . . 96 ALA HB1 . 16969 1 6 . 1 1 2 2 ALA HB2 H 1 1.421 0.020 . 1 . . . . 96 ALA HB2 . 16969 1 7 . 1 1 2 2 ALA HB3 H 1 1.421 0.020 . 1 . . . . 96 ALA HB3 . 16969 1 8 . 1 1 2 2 ALA C C 13 177.713 0.200 . 1 . . . . 96 ALA C . 16969 1 9 . 1 1 2 2 ALA CA C 13 52.638 0.200 . 1 . . . . 96 ALA CA . 16969 1 10 . 1 1 2 2 ALA CB C 13 19.479 0.200 . 1 . . . . 96 ALA CB . 16969 1 11 . 1 1 3 3 MET H H 1 8.482 0.020 . 1 . . . . 97 MET H . 16969 1 12 . 1 1 3 3 MET HA H 1 4.486 0.020 . 1 . . . . 97 MET HA . 16969 1 13 . 1 1 3 3 MET HB2 H 1 2.108 0.020 . 2 . . . . 97 MET HB2 . 16969 1 14 . 1 1 3 3 MET HB3 H 1 2.031 0.020 . 2 . . . . 97 MET HB3 . 16969 1 15 . 1 1 3 3 MET C C 13 175.993 0.200 . 1 . . . . 97 MET C . 16969 1 16 . 1 1 3 3 MET CA C 13 55.410 0.200 . 1 . . . . 97 MET CA . 16969 1 17 . 1 1 3 3 MET CB C 13 32.876 0.200 . 1 . . . . 97 MET CB . 16969 1 18 . 1 1 3 3 MET N N 15 119.329 0.200 . 1 . . . . 97 MET N . 16969 1 19 . 1 1 4 4 GLU H H 1 8.375 0.020 . 1 . . . . 98 GLU H . 16969 1 20 . 1 1 4 4 GLU HA H 1 4.616 0.020 . 1 . . . . 98 GLU HA . 16969 1 21 . 1 1 4 4 GLU HB2 H 1 2.076 0.020 . 2 . . . . 98 GLU HB2 . 16969 1 22 . 1 1 4 4 GLU HB3 H 1 1.926 0.020 . 2 . . . . 98 GLU HB3 . 16969 1 23 . 1 1 4 4 GLU HG2 H 1 2.316 0.020 . 2 . . . . 98 GLU HG2 . 16969 1 24 . 1 1 4 4 GLU HG3 H 1 2.316 0.020 . 2 . . . . 98 GLU HG3 . 16969 1 25 . 1 1 4 4 GLU CA C 13 54.516 0.200 . 1 . . . . 98 GLU CA . 16969 1 26 . 1 1 4 4 GLU CB C 13 29.694 0.200 . 1 . . . . 98 GLU CB . 16969 1 27 . 1 1 4 4 GLU CG C 13 36.013 0.200 . 1 . . . . 98 GLU CG . 16969 1 28 . 1 1 4 4 GLU N N 15 123.371 0.200 . 1 . . . . 98 GLU N . 16969 1 29 . 1 1 5 5 PRO HA H 1 4.426 0.020 . 1 . . . . 99 PRO HA . 16969 1 30 . 1 1 5 5 PRO HB2 H 1 2.322 0.020 . 2 . . . . 99 PRO HB2 . 16969 1 31 . 1 1 5 5 PRO HB3 H 1 1.952 0.020 . 2 . . . . 99 PRO HB3 . 16969 1 32 . 1 1 5 5 PRO HD2 H 1 3.828 0.020 . 2 . . . . 99 PRO HD2 . 16969 1 33 . 1 1 5 5 PRO HD3 H 1 3.739 0.020 . 2 . . . . 99 PRO HD3 . 16969 1 34 . 1 1 5 5 PRO HG2 H 1 2.043 0.020 . 2 . . . . 99 PRO HG2 . 16969 1 35 . 1 1 5 5 PRO HG3 H 1 2.043 0.020 . 2 . . . . 99 PRO HG3 . 16969 1 36 . 1 1 5 5 PRO C C 13 177.278 0.200 . 1 . . . . 99 PRO C . 16969 1 37 . 1 1 5 5 PRO CA C 13 63.483 0.200 . 1 . . . . 99 PRO CA . 16969 1 38 . 1 1 5 5 PRO CB C 13 32.121 0.200 . 1 . . . . 99 PRO CB . 16969 1 39 . 1 1 5 5 PRO CD C 13 50.742 0.200 . 1 . . . . 99 PRO CD . 16969 1 40 . 1 1 5 5 PRO CG C 13 27.420 0.200 . 1 . . . . 99 PRO CG . 16969 1 41 . 1 1 6 6 GLU H H 1 8.683 0.020 . 1 . . . . 100 GLU H . 16969 1 42 . 1 1 6 6 GLU HA H 1 4.226 0.020 . 1 . . . . 100 GLU HA . 16969 1 43 . 1 1 6 6 GLU HB2 H 1 2.078 0.020 . 2 . . . . 100 GLU HB2 . 16969 1 44 . 1 1 6 6 GLU HB3 H 1 2.006 0.020 . 2 . . . . 100 GLU HB3 . 16969 1 45 . 1 1 6 6 GLU HG2 H 1 2.319 0.020 . 2 . . . . 100 GLU HG2 . 16969 1 46 . 1 1 6 6 GLU HG3 H 1 2.287 0.020 . 2 . . . . 100 GLU HG3 . 16969 1 47 . 1 1 6 6 GLU C C 13 176.558 0.200 . 1 . . . . 100 GLU C . 16969 1 48 . 1 1 6 6 GLU CA C 13 57.407 0.200 . 1 . . . . 100 GLU CA . 16969 1 49 . 1 1 6 6 GLU CB C 13 30.077 0.200 . 1 . . . . 100 GLU CB . 16969 1 50 . 1 1 6 6 GLU CG C 13 36.488 0.200 . 1 . . . . 100 GLU CG . 16969 1 51 . 1 1 6 6 GLU N N 15 120.977 0.200 . 1 . . . . 100 GLU N . 16969 1 52 . 1 1 7 7 ASN H H 1 8.418 0.020 . 1 . . . . 101 ASN H . 16969 1 53 . 1 1 7 7 ASN HA H 1 4.675 0.020 . 1 . . . . 101 ASN HA . 16969 1 54 . 1 1 7 7 ASN HB2 H 1 2.879 0.020 . 2 . . . . 101 ASN HB2 . 16969 1 55 . 1 1 7 7 ASN HB3 H 1 2.879 0.020 . 2 . . . . 101 ASN HB3 . 16969 1 56 . 1 1 7 7 ASN HD21 H 1 7.746 0.020 . 2 . . . . 101 ASN HD21 . 16969 1 57 . 1 1 7 7 ASN HD22 H 1 6.922 0.020 . 2 . . . . 101 ASN HD22 . 16969 1 58 . 1 1 7 7 ASN C C 13 175.936 0.200 . 1 . . . . 101 ASN C . 16969 1 59 . 1 1 7 7 ASN CA C 13 53.835 0.200 . 1 . . . . 101 ASN CA . 16969 1 60 . 1 1 7 7 ASN CB C 13 38.760 0.200 . 1 . . . . 101 ASN CB . 16969 1 61 . 1 1 7 7 ASN N N 15 119.320 0.200 . 1 . . . . 101 ASN N . 16969 1 62 . 1 1 7 7 ASN ND2 N 15 112.452 0.200 . 1 . . . . 101 ASN ND2 . 16969 1 63 . 1 1 8 8 LYS H H 1 8.394 0.020 . 1 . . . . 102 LYS H . 16969 1 64 . 1 1 8 8 LYS HA H 1 4.294 0.020 . 1 . . . . 102 LYS HA . 16969 1 65 . 1 1 8 8 LYS HB2 H 1 1.796 0.020 . 2 . . . . 102 LYS HB2 . 16969 1 66 . 1 1 8 8 LYS HB3 H 1 1.796 0.020 . 2 . . . . 102 LYS HB3 . 16969 1 67 . 1 1 8 8 LYS HD2 H 1 1.705 0.020 . 2 . . . . 102 LYS HD2 . 16969 1 68 . 1 1 8 8 LYS HD3 H 1 1.680 0.020 . 2 . . . . 102 LYS HD3 . 16969 1 69 . 1 1 8 8 LYS HE2 H 1 2.979 0.020 . 2 . . . . 102 LYS HE2 . 16969 1 70 . 1 1 8 8 LYS HE3 H 1 2.979 0.020 . 2 . . . . 102 LYS HE3 . 16969 1 71 . 1 1 8 8 LYS HG2 H 1 1.353 0.020 . 2 . . . . 102 LYS HG2 . 16969 1 72 . 1 1 8 8 LYS HG3 H 1 1.353 0.020 . 2 . . . . 102 LYS HG3 . 16969 1 73 . 1 1 8 8 LYS C C 13 176.089 0.200 . 1 . . . . 102 LYS C . 16969 1 74 . 1 1 8 8 LYS CA C 13 56.894 0.200 . 1 . . . . 102 LYS CA . 16969 1 75 . 1 1 8 8 LYS CB C 13 32.673 0.200 . 1 . . . . 102 LYS CB . 16969 1 76 . 1 1 8 8 LYS CD C 13 29.215 0.200 . 1 . . . . 102 LYS CD . 16969 1 77 . 1 1 8 8 LYS CE C 13 42.261 0.200 . 1 . . . . 102 LYS CE . 16969 1 78 . 1 1 8 8 LYS CG C 13 24.777 0.200 . 1 . . . . 102 LYS CG . 16969 1 79 . 1 1 8 8 LYS N N 15 121.730 0.200 . 1 . . . . 102 LYS N . 16969 1 80 . 1 1 9 9 TYR H H 1 8.036 0.020 . 1 . . . . 103 TYR H . 16969 1 81 . 1 1 9 9 TYR HA H 1 4.454 0.020 . 1 . . . . 103 TYR HA . 16969 1 82 . 1 1 9 9 TYR HB2 H 1 3.147 0.020 . 2 . . . . 103 TYR HB2 . 16969 1 83 . 1 1 9 9 TYR HB3 H 1 2.941 0.020 . 2 . . . . 103 TYR HB3 . 16969 1 84 . 1 1 9 9 TYR HD1 H 1 6.992 0.020 . 3 . . . . 103 TYR HD1 . 16969 1 85 . 1 1 9 9 TYR HD2 H 1 6.992 0.020 . 3 . . . . 103 TYR HD2 . 16969 1 86 . 1 1 9 9 TYR HE1 H 1 6.675 0.020 . 3 . . . . 103 TYR HE1 . 16969 1 87 . 1 1 9 9 TYR HE2 H 1 6.675 0.020 . 3 . . . . 103 TYR HE2 . 16969 1 88 . 1 1 9 9 TYR C C 13 176.574 0.200 . 1 . . . . 103 TYR C . 16969 1 89 . 1 1 9 9 TYR CA C 13 59.685 0.200 . 1 . . . . 103 TYR CA . 16969 1 90 . 1 1 9 9 TYR CB C 13 38.623 0.200 . 1 . . . . 103 TYR CB . 16969 1 91 . 1 1 9 9 TYR CD1 C 13 132.569 0.200 . 3 . . . . 103 TYR CD1 . 16969 1 92 . 1 1 9 9 TYR CD2 C 13 132.569 0.200 . 3 . . . . 103 TYR CD2 . 16969 1 93 . 1 1 9 9 TYR CE1 C 13 118.154 0.200 . 3 . . . . 103 TYR CE1 . 16969 1 94 . 1 1 9 9 TYR CE2 C 13 118.154 0.200 . 3 . . . . 103 TYR CE2 . 16969 1 95 . 1 1 9 9 TYR N N 15 119.643 0.200 . 1 . . . . 103 TYR N . 16969 1 96 . 1 1 10 10 LEU H H 1 8.423 0.020 . 1 . . . . 104 LEU H . 16969 1 97 . 1 1 10 10 LEU HA H 1 4.130 0.020 . 1 . . . . 104 LEU HA . 16969 1 98 . 1 1 10 10 LEU HB2 H 1 2.042 0.020 . 2 . . . . 104 LEU HB2 . 16969 1 99 . 1 1 10 10 LEU HB3 H 1 1.606 0.020 . 2 . . . . 104 LEU HB3 . 16969 1 100 . 1 1 10 10 LEU HD11 H 1 1.009 0.020 . 2 . . . . 104 LEU HD11 . 16969 1 101 . 1 1 10 10 LEU HD12 H 1 1.009 0.020 . 2 . . . . 104 LEU HD12 . 16969 1 102 . 1 1 10 10 LEU HD13 H 1 1.009 0.020 . 2 . . . . 104 LEU HD13 . 16969 1 103 . 1 1 10 10 LEU HD21 H 1 1.000 0.020 . 2 . . . . 104 LEU HD21 . 16969 1 104 . 1 1 10 10 LEU HD22 H 1 1.000 0.020 . 2 . . . . 104 LEU HD22 . 16969 1 105 . 1 1 10 10 LEU HD23 H 1 1.000 0.020 . 2 . . . . 104 LEU HD23 . 16969 1 106 . 1 1 10 10 LEU HG H 1 1.646 0.020 . 1 . . . . 104 LEU HG . 16969 1 107 . 1 1 10 10 LEU CA C 13 59.947 0.200 . 1 . . . . 104 LEU CA . 16969 1 108 . 1 1 10 10 LEU CB C 13 38.954 0.200 . 1 . . . . 104 LEU CB . 16969 1 109 . 1 1 10 10 LEU CD1 C 13 24.729 0.200 . 2 . . . . 104 LEU CD1 . 16969 1 110 . 1 1 10 10 LEU CD2 C 13 25.870 0.200 . 2 . . . . 104 LEU CD2 . 16969 1 111 . 1 1 10 10 LEU CG C 13 27.490 0.200 . 1 . . . . 104 LEU CG . 16969 1 112 . 1 1 10 10 LEU N N 15 117.984 0.200 . 1 . . . . 104 LEU N . 16969 1 113 . 1 1 11 11 PRO HA H 1 4.292 0.020 . 1 . . . . 105 PRO HA . 16969 1 114 . 1 1 11 11 PRO HB2 H 1 2.308 0.020 . 2 . . . . 105 PRO HB2 . 16969 1 115 . 1 1 11 11 PRO HB3 H 1 1.953 0.020 . 2 . . . . 105 PRO HB3 . 16969 1 116 . 1 1 11 11 PRO HD2 H 1 3.632 0.020 . 2 . . . . 105 PRO HD2 . 16969 1 117 . 1 1 11 11 PRO HD3 H 1 3.632 0.020 . 2 . . . . 105 PRO HD3 . 16969 1 118 . 1 1 11 11 PRO HG2 H 1 2.218 0.020 . 2 . . . . 105 PRO HG2 . 16969 1 119 . 1 1 11 11 PRO HG3 H 1 2.030 0.020 . 2 . . . . 105 PRO HG3 . 16969 1 120 . 1 1 11 11 PRO C C 13 180.306 0.200 . 1 . . . . 105 PRO C . 16969 1 121 . 1 1 11 11 PRO CA C 13 66.262 0.200 . 1 . . . . 105 PRO CA . 16969 1 122 . 1 1 11 11 PRO CB C 13 30.555 0.200 . 1 . . . . 105 PRO CB . 16969 1 123 . 1 1 11 11 PRO CD C 13 49.507 0.200 . 1 . . . . 105 PRO CD . 16969 1 124 . 1 1 11 11 PRO CG C 13 28.201 0.200 . 1 . . . . 105 PRO CG . 16969 1 125 . 1 1 12 12 GLU H H 1 7.729 0.020 . 1 . . . . 106 GLU H . 16969 1 126 . 1 1 12 12 GLU HA H 1 4.231 0.020 . 1 . . . . 106 GLU HA . 16969 1 127 . 1 1 12 12 GLU HB2 H 1 2.434 0.020 . 2 . . . . 106 GLU HB2 . 16969 1 128 . 1 1 12 12 GLU HB3 H 1 2.255 0.020 . 2 . . . . 106 GLU HB3 . 16969 1 129 . 1 1 12 12 GLU HG2 H 1 2.820 0.020 . 2 . . . . 106 GLU HG2 . 16969 1 130 . 1 1 12 12 GLU HG3 H 1 2.453 0.020 . 2 . . . . 106 GLU HG3 . 16969 1 131 . 1 1 12 12 GLU C C 13 180.080 0.200 . 1 . . . . 106 GLU C . 16969 1 132 . 1 1 12 12 GLU CA C 13 59.609 0.200 . 1 . . . . 106 GLU CA . 16969 1 133 . 1 1 12 12 GLU CB C 13 29.912 0.200 . 1 . . . . 106 GLU CB . 16969 1 134 . 1 1 12 12 GLU CG C 13 36.704 0.200 . 1 . . . . 106 GLU CG . 16969 1 135 . 1 1 12 12 GLU N N 15 117.704 0.200 . 1 . . . . 106 GLU N . 16969 1 136 . 1 1 13 13 LEU H H 1 8.299 0.020 . 1 . . . . 107 LEU H . 16969 1 137 . 1 1 13 13 LEU HA H 1 3.771 0.020 . 1 . . . . 107 LEU HA . 16969 1 138 . 1 1 13 13 LEU HB2 H 1 1.982 0.020 . 2 . . . . 107 LEU HB2 . 16969 1 139 . 1 1 13 13 LEU HB3 H 1 1.129 0.020 . 2 . . . . 107 LEU HB3 . 16969 1 140 . 1 1 13 13 LEU HD11 H 1 0.306 0.020 . 2 . . . . 107 LEU HD11 . 16969 1 141 . 1 1 13 13 LEU HD12 H 1 0.306 0.020 . 2 . . . . 107 LEU HD12 . 16969 1 142 . 1 1 13 13 LEU HD13 H 1 0.306 0.020 . 2 . . . . 107 LEU HD13 . 16969 1 143 . 1 1 13 13 LEU HD21 H 1 0.514 0.020 . 2 . . . . 107 LEU HD21 . 16969 1 144 . 1 1 13 13 LEU HD22 H 1 0.514 0.020 . 2 . . . . 107 LEU HD22 . 16969 1 145 . 1 1 13 13 LEU HD23 H 1 0.514 0.020 . 2 . . . . 107 LEU HD23 . 16969 1 146 . 1 1 13 13 LEU HG H 1 1.117 0.020 . 1 . . . . 107 LEU HG . 16969 1 147 . 1 1 13 13 LEU C C 13 179.384 0.200 . 1 . . . . 107 LEU C . 16969 1 148 . 1 1 13 13 LEU CA C 13 58.406 0.200 . 1 . . . . 107 LEU CA . 16969 1 149 . 1 1 13 13 LEU CB C 13 43.115 0.200 . 1 . . . . 107 LEU CB . 16969 1 150 . 1 1 13 13 LEU CD1 C 13 26.423 0.200 . 2 . . . . 107 LEU CD1 . 16969 1 151 . 1 1 13 13 LEU CD2 C 13 23.524 0.200 . 2 . . . . 107 LEU CD2 . 16969 1 152 . 1 1 13 13 LEU CG C 13 26.922 0.200 . 1 . . . . 107 LEU CG . 16969 1 153 . 1 1 13 13 LEU N N 15 121.020 0.200 . 1 . . . . 107 LEU N . 16969 1 154 . 1 1 14 14 MET H H 1 8.345 0.020 . 1 . . . . 108 MET H . 16969 1 155 . 1 1 14 14 MET HA H 1 3.911 0.020 . 1 . . . . 108 MET HA . 16969 1 156 . 1 1 14 14 MET HB2 H 1 2.689 0.020 . 2 . . . . 108 MET HB2 . 16969 1 157 . 1 1 14 14 MET HB3 H 1 2.498 0.020 . 2 . . . . 108 MET HB3 . 16969 1 158 . 1 1 14 14 MET HE1 H 1 2.124 0.020 . 1 . . . . 108 MET HE1 . 16969 1 159 . 1 1 14 14 MET HE2 H 1 2.124 0.020 . 1 . . . . 108 MET HE2 . 16969 1 160 . 1 1 14 14 MET HE3 H 1 2.124 0.020 . 1 . . . . 108 MET HE3 . 16969 1 161 . 1 1 14 14 MET HG2 H 1 2.219 0.020 . 2 . . . . 108 MET HG2 . 16969 1 162 . 1 1 14 14 MET HG3 H 1 2.219 0.020 . 2 . . . . 108 MET HG3 . 16969 1 163 . 1 1 14 14 MET C C 13 177.970 0.200 . 1 . . . . 108 MET C . 16969 1 164 . 1 1 14 14 MET CA C 13 58.994 0.200 . 1 . . . . 108 MET CA . 16969 1 165 . 1 1 14 14 MET CB C 13 32.587 0.200 . 1 . . . . 108 MET CB . 16969 1 166 . 1 1 14 14 MET CE C 13 17.281 0.200 . 1 . . . . 108 MET CE . 16969 1 167 . 1 1 14 14 MET CG C 13 32.379 0.200 . 1 . . . . 108 MET CG . 16969 1 168 . 1 1 14 14 MET N N 15 116.546 0.200 . 1 . . . . 108 MET N . 16969 1 169 . 1 1 15 15 ALA H H 1 7.957 0.020 . 1 . . . . 109 ALA H . 16969 1 170 . 1 1 15 15 ALA HA H 1 4.267 0.020 . 1 . . . . 109 ALA HA . 16969 1 171 . 1 1 15 15 ALA HB1 H 1 1.559 0.020 . 1 . . . . 109 ALA HB1 . 16969 1 172 . 1 1 15 15 ALA HB2 H 1 1.559 0.020 . 1 . . . . 109 ALA HB2 . 16969 1 173 . 1 1 15 15 ALA HB3 H 1 1.559 0.020 . 1 . . . . 109 ALA HB3 . 16969 1 174 . 1 1 15 15 ALA C C 13 181.510 0.200 . 1 . . . . 109 ALA C . 16969 1 175 . 1 1 15 15 ALA CA C 13 54.937 0.200 . 1 . . . . 109 ALA CA . 16969 1 176 . 1 1 15 15 ALA CB C 13 18.031 0.200 . 1 . . . . 109 ALA CB . 16969 1 177 . 1 1 15 15 ALA N N 15 121.008 0.200 . 1 . . . . 109 ALA N . 16969 1 178 . 1 1 16 16 GLU H H 1 7.943 0.020 . 1 . . . . 110 GLU H . 16969 1 179 . 1 1 16 16 GLU HA H 1 4.094 0.020 . 1 . . . . 110 GLU HA . 16969 1 180 . 1 1 16 16 GLU HB2 H 1 2.506 0.020 . 2 . . . . 110 GLU HB2 . 16969 1 181 . 1 1 16 16 GLU HB3 H 1 2.257 0.020 . 2 . . . . 110 GLU HB3 . 16969 1 182 . 1 1 16 16 GLU HG2 H 1 2.862 0.020 . 2 . . . . 110 GLU HG2 . 16969 1 183 . 1 1 16 16 GLU HG3 H 1 2.236 0.020 . 2 . . . . 110 GLU HG3 . 16969 1 184 . 1 1 16 16 GLU C C 13 178.249 0.200 . 1 . . . . 110 GLU C . 16969 1 185 . 1 1 16 16 GLU CA C 13 61.467 0.200 . 1 . . . . 110 GLU CA . 16969 1 186 . 1 1 16 16 GLU CB C 13 30.300 0.200 . 1 . . . . 110 GLU CB . 16969 1 187 . 1 1 16 16 GLU CG C 13 37.806 0.200 . 1 . . . . 110 GLU CG . 16969 1 188 . 1 1 16 16 GLU N N 15 119.832 0.200 . 1 . . . . 110 GLU N . 16969 1 189 . 1 1 17 17 LYS H H 1 8.352 0.020 . 1 . . . . 111 LYS H . 16969 1 190 . 1 1 17 17 LYS HA H 1 3.815 0.020 . 1 . . . . 111 LYS HA . 16969 1 191 . 1 1 17 17 LYS HB2 H 1 2.027 0.020 . 2 . . . . 111 LYS HB2 . 16969 1 192 . 1 1 17 17 LYS HB3 H 1 1.701 0.020 . 2 . . . . 111 LYS HB3 . 16969 1 193 . 1 1 17 17 LYS HD2 H 1 1.636 0.020 . 2 . . . . 111 LYS HD2 . 16969 1 194 . 1 1 17 17 LYS HD3 H 1 1.589 0.020 . 2 . . . . 111 LYS HD3 . 16969 1 195 . 1 1 17 17 LYS HE2 H 1 3.004 0.020 . 2 . . . . 111 LYS HE2 . 16969 1 196 . 1 1 17 17 LYS HE3 H 1 3.004 0.020 . 2 . . . . 111 LYS HE3 . 16969 1 197 . 1 1 17 17 LYS HG2 H 1 1.542 0.020 . 2 . . . . 111 LYS HG2 . 16969 1 198 . 1 1 17 17 LYS HG3 H 1 1.510 0.020 . 2 . . . . 111 LYS HG3 . 16969 1 199 . 1 1 17 17 LYS C C 13 177.888 0.200 . 1 . . . . 111 LYS C . 16969 1 200 . 1 1 17 17 LYS CA C 13 60.352 0.200 . 1 . . . . 111 LYS CA . 16969 1 201 . 1 1 17 17 LYS CB C 13 32.000 0.200 . 1 . . . . 111 LYS CB . 16969 1 202 . 1 1 17 17 LYS CD C 13 29.704 0.200 . 1 . . . . 111 LYS CD . 16969 1 203 . 1 1 17 17 LYS CE C 13 42.255 0.200 . 1 . . . . 111 LYS CE . 16969 1 204 . 1 1 17 17 LYS CG C 13 25.118 0.200 . 1 . . . . 111 LYS CG . 16969 1 205 . 1 1 17 17 LYS N N 15 119.590 0.200 . 1 . . . . 111 LYS N . 16969 1 206 . 1 1 18 18 ASP H H 1 8.045 0.020 . 1 . . . . 112 ASP H . 16969 1 207 . 1 1 18 18 ASP HA H 1 4.534 0.020 . 1 . . . . 112 ASP HA . 16969 1 208 . 1 1 18 18 ASP HB2 H 1 2.748 0.020 . 2 . . . . 112 ASP HB2 . 16969 1 209 . 1 1 18 18 ASP HB3 H 1 2.748 0.020 . 2 . . . . 112 ASP HB3 . 16969 1 210 . 1 1 18 18 ASP C C 13 177.272 0.200 . 1 . . . . 112 ASP C . 16969 1 211 . 1 1 18 18 ASP CA C 13 56.459 0.200 . 1 . . . . 112 ASP CA . 16969 1 212 . 1 1 18 18 ASP CB C 13 41.260 0.200 . 1 . . . . 112 ASP CB . 16969 1 213 . 1 1 18 18 ASP N N 15 115.216 0.200 . 1 . . . . 112 ASP N . 16969 1 214 . 1 1 19 19 SER H H 1 7.662 0.020 . 1 . . . . 113 SER H . 16969 1 215 . 1 1 19 19 SER HA H 1 4.724 0.020 . 1 . . . . 113 SER HA . 16969 1 216 . 1 1 19 19 SER HB2 H 1 4.101 0.020 . 2 . . . . 113 SER HB2 . 16969 1 217 . 1 1 19 19 SER HB3 H 1 4.083 0.020 . 2 . . . . 113 SER HB3 . 16969 1 218 . 1 1 19 19 SER C C 13 174.112 0.200 . 1 . . . . 113 SER C . 16969 1 219 . 1 1 19 19 SER CA C 13 58.970 0.200 . 1 . . . . 113 SER CA . 16969 1 220 . 1 1 19 19 SER CB C 13 65.237 0.200 . 1 . . . . 113 SER CB . 16969 1 221 . 1 1 19 19 SER N N 15 112.174 0.200 . 1 . . . . 113 SER N . 16969 1 222 . 1 1 20 20 LEU H H 1 7.845 0.020 . 1 . . . . 114 LEU H . 16969 1 223 . 1 1 20 20 LEU HA H 1 3.797 0.020 . 1 . . . . 114 LEU HA . 16969 1 224 . 1 1 20 20 LEU HB2 H 1 1.591 0.020 . 2 . . . . 114 LEU HB2 . 16969 1 225 . 1 1 20 20 LEU HB3 H 1 1.421 0.020 . 2 . . . . 114 LEU HB3 . 16969 1 226 . 1 1 20 20 LEU HD11 H 1 -0.032 0.020 . 2 . . . . 114 LEU HD11 . 16969 1 227 . 1 1 20 20 LEU HD12 H 1 -0.032 0.020 . 2 . . . . 114 LEU HD12 . 16969 1 228 . 1 1 20 20 LEU HD13 H 1 -0.032 0.020 . 2 . . . . 114 LEU HD13 . 16969 1 229 . 1 1 20 20 LEU HD21 H 1 0.595 0.020 . 2 . . . . 114 LEU HD21 . 16969 1 230 . 1 1 20 20 LEU HD22 H 1 0.595 0.020 . 2 . . . . 114 LEU HD22 . 16969 1 231 . 1 1 20 20 LEU HD23 H 1 0.595 0.020 . 2 . . . . 114 LEU HD23 . 16969 1 232 . 1 1 20 20 LEU HG H 1 1.716 0.020 . 1 . . . . 114 LEU HG . 16969 1 233 . 1 1 20 20 LEU C C 13 175.759 0.200 . 1 . . . . 114 LEU C . 16969 1 234 . 1 1 20 20 LEU CA C 13 55.308 0.200 . 1 . . . . 114 LEU CA . 16969 1 235 . 1 1 20 20 LEU CB C 13 42.608 0.200 . 1 . . . . 114 LEU CB . 16969 1 236 . 1 1 20 20 LEU CD1 C 13 23.794 0.200 . 2 . . . . 114 LEU CD1 . 16969 1 237 . 1 1 20 20 LEU CD2 C 13 26.472 0.200 . 2 . . . . 114 LEU CD2 . 16969 1 238 . 1 1 20 20 LEU CG C 13 25.206 0.200 . 1 . . . . 114 LEU CG . 16969 1 239 . 1 1 20 20 LEU N N 15 126.638 0.200 . 1 . . . . 114 LEU N . 16969 1 240 . 1 1 21 21 ASP H H 1 8.171 0.020 . 1 . . . . 115 ASP H . 16969 1 241 . 1 1 21 21 ASP HA H 1 4.786 0.020 . 1 . . . . 115 ASP HA . 16969 1 242 . 1 1 21 21 ASP HB2 H 1 2.923 0.020 . 2 . . . . 115 ASP HB2 . 16969 1 243 . 1 1 21 21 ASP HB3 H 1 2.885 0.020 . 2 . . . . 115 ASP HB3 . 16969 1 244 . 1 1 21 21 ASP CA C 13 52.968 0.200 . 1 . . . . 115 ASP CA . 16969 1 245 . 1 1 21 21 ASP CB C 13 42.594 0.200 . 1 . . . . 115 ASP CB . 16969 1 246 . 1 1 21 21 ASP N N 15 127.499 0.200 . 1 . . . . 115 ASP N . 16969 1 247 . 1 1 22 22 PRO HA H 1 4.213 0.020 . 1 . . . . 116 PRO HA . 16969 1 248 . 1 1 22 22 PRO HB2 H 1 2.320 0.020 . 2 . . . . 116 PRO HB2 . 16969 1 249 . 1 1 22 22 PRO HB3 H 1 1.996 0.020 . 2 . . . . 116 PRO HB3 . 16969 1 250 . 1 1 22 22 PRO HD2 H 1 3.976 0.020 . 2 . . . . 116 PRO HD2 . 16969 1 251 . 1 1 22 22 PRO HD3 H 1 3.782 0.020 . 2 . . . . 116 PRO HD3 . 16969 1 252 . 1 1 22 22 PRO HG2 H 1 2.020 0.020 . 2 . . . . 116 PRO HG2 . 16969 1 253 . 1 1 22 22 PRO HG3 H 1 2.020 0.020 . 2 . . . . 116 PRO HG3 . 16969 1 254 . 1 1 22 22 PRO C C 13 176.999 0.200 . 1 . . . . 116 PRO C . 16969 1 255 . 1 1 22 22 PRO CA C 13 64.116 0.200 . 1 . . . . 116 PRO CA . 16969 1 256 . 1 1 22 22 PRO CB C 13 31.874 0.200 . 1 . . . . 116 PRO CB . 16969 1 257 . 1 1 22 22 PRO CD C 13 51.398 0.200 . 1 . . . . 116 PRO CD . 16969 1 258 . 1 1 22 22 PRO CG C 13 27.388 0.200 . 1 . . . . 116 PRO CG . 16969 1 259 . 1 1 23 23 SER H H 1 8.789 0.020 . 1 . . . . 117 SER H . 16969 1 260 . 1 1 23 23 SER HA H 1 4.117 0.020 . 1 . . . . 117 SER HA . 16969 1 261 . 1 1 23 23 SER HB2 H 1 3.753 0.020 . 2 . . . . 117 SER HB2 . 16969 1 262 . 1 1 23 23 SER HB3 H 1 3.689 0.020 . 2 . . . . 117 SER HB3 . 16969 1 263 . 1 1 23 23 SER C C 13 176.211 0.200 . 1 . . . . 117 SER C . 16969 1 264 . 1 1 23 23 SER CA C 13 60.804 0.200 . 1 . . . . 117 SER CA . 16969 1 265 . 1 1 23 23 SER CB C 13 62.765 0.200 . 1 . . . . 117 SER CB . 16969 1 266 . 1 1 23 23 SER N N 15 114.803 0.200 . 1 . . . . 117 SER N . 16969 1 267 . 1 1 24 24 PHE H H 1 8.027 0.020 . 1 . . . . 118 PHE H . 16969 1 268 . 1 1 24 24 PHE HA H 1 4.357 0.020 . 1 . . . . 118 PHE HA . 16969 1 269 . 1 1 24 24 PHE HB2 H 1 3.211 0.020 . 2 . . . . 118 PHE HB2 . 16969 1 270 . 1 1 24 24 PHE HB3 H 1 2.992 0.020 . 2 . . . . 118 PHE HB3 . 16969 1 271 . 1 1 24 24 PHE HD1 H 1 7.413 0.020 . 3 . . . . 118 PHE HD1 . 16969 1 272 . 1 1 24 24 PHE HD2 H 1 7.413 0.020 . 3 . . . . 118 PHE HD2 . 16969 1 273 . 1 1 24 24 PHE HE1 H 1 7.508 0.020 . 3 . . . . 118 PHE HE1 . 16969 1 274 . 1 1 24 24 PHE HE2 H 1 7.508 0.020 . 3 . . . . 118 PHE HE2 . 16969 1 275 . 1 1 24 24 PHE HZ H 1 7.144 0.020 . 1 . . . . 118 PHE HZ . 16969 1 276 . 1 1 24 24 PHE C C 13 174.877 0.200 . 1 . . . . 118 PHE C . 16969 1 277 . 1 1 24 24 PHE CA C 13 57.879 0.200 . 1 . . . . 118 PHE CA . 16969 1 278 . 1 1 24 24 PHE CB C 13 36.468 0.200 . 1 . . . . 118 PHE CB . 16969 1 279 . 1 1 24 24 PHE CD1 C 13 131.495 0.200 . 3 . . . . 118 PHE CD1 . 16969 1 280 . 1 1 24 24 PHE CD2 C 13 131.495 0.200 . 3 . . . . 118 PHE CD2 . 16969 1 281 . 1 1 24 24 PHE CE1 C 13 132.046 0.200 . 3 . . . . 118 PHE CE1 . 16969 1 282 . 1 1 24 24 PHE CE2 C 13 132.046 0.200 . 3 . . . . 118 PHE CE2 . 16969 1 283 . 1 1 24 24 PHE CZ C 13 129.562 0.200 . 1 . . . . 118 PHE CZ . 16969 1 284 . 1 1 24 24 PHE N N 15 125.036 0.200 . 1 . . . . 118 PHE N . 16969 1 285 . 1 1 25 25 THR H H 1 7.387 0.020 . 1 . . . . 119 THR H . 16969 1 286 . 1 1 25 25 THR HA H 1 3.715 0.020 . 1 . . . . 119 THR HA . 16969 1 287 . 1 1 25 25 THR HB H 1 3.711 0.020 . 1 . . . . 119 THR HB . 16969 1 288 . 1 1 25 25 THR HG21 H 1 1.039 0.020 . 1 . . . . 119 THR HG21 . 16969 1 289 . 1 1 25 25 THR HG22 H 1 1.039 0.020 . 1 . . . . 119 THR HG22 . 16969 1 290 . 1 1 25 25 THR HG23 H 1 1.039 0.020 . 1 . . . . 119 THR HG23 . 16969 1 291 . 1 1 25 25 THR CA C 13 65.556 0.200 . 1 . . . . 119 THR CA . 16969 1 292 . 1 1 25 25 THR CB C 13 69.260 0.200 . 1 . . . . 119 THR CB . 16969 1 293 . 1 1 25 25 THR CG2 C 13 21.481 0.200 . 1 . . . . 119 THR CG2 . 16969 1 294 . 1 1 25 25 THR N N 15 115.969 0.200 . 1 . . . . 119 THR N . 16969 1 295 . 1 1 26 26 HIS H H 1 11.989 0.020 . 1 . . . . 120 HIS H . 16969 1 296 . 1 1 26 26 HIS HA H 1 4.626 0.020 . 1 . . . . 120 HIS HA . 16969 1 297 . 1 1 26 26 HIS HB2 H 1 3.241 0.020 . 2 . . . . 120 HIS HB2 . 16969 1 298 . 1 1 26 26 HIS HB3 H 1 2.879 0.020 . 2 . . . . 120 HIS HB3 . 16969 1 299 . 1 1 26 26 HIS HD2 H 1 7.095 0.020 . 1 . . . . 120 HIS HD2 . 16969 1 300 . 1 1 26 26 HIS HE1 H 1 8.167 0.020 . 1 . . . . 120 HIS HE1 . 16969 1 301 . 1 1 26 26 HIS CA C 13 59.594 0.200 . 1 . . . . 120 HIS CA . 16969 1 302 . 1 1 26 26 HIS CB C 13 28.639 0.200 . 1 . . . . 120 HIS CB . 16969 1 303 . 1 1 26 26 HIS CD2 C 13 120.424 0.200 . 1 . . . . 120 HIS CD2 . 16969 1 304 . 1 1 26 26 HIS CE1 C 13 137.613 0.200 . 1 . . . . 120 HIS CE1 . 16969 1 305 . 1 1 26 26 HIS N N 15 127.353 0.200 . 1 . . . . 120 HIS N . 16969 1 306 . 1 1 27 27 ALA H H 1 11.106 0.020 . 1 . . . . 121 ALA H . 16969 1 307 . 1 1 27 27 ALA HA H 1 3.938 0.020 . 1 . . . . 121 ALA HA . 16969 1 308 . 1 1 27 27 ALA HB1 H 1 1.547 0.020 . 1 . . . . 121 ALA HB1 . 16969 1 309 . 1 1 27 27 ALA HB2 H 1 1.547 0.020 . 1 . . . . 121 ALA HB2 . 16969 1 310 . 1 1 27 27 ALA HB3 H 1 1.547 0.020 . 1 . . . . 121 ALA HB3 . 16969 1 311 . 1 1 27 27 ALA C C 13 179.473 0.200 . 1 . . . . 121 ALA C . 16969 1 312 . 1 1 27 27 ALA CA C 13 56.044 0.200 . 1 . . . . 121 ALA CA . 16969 1 313 . 1 1 27 27 ALA CB C 13 17.998 0.200 . 1 . . . . 121 ALA CB . 16969 1 314 . 1 1 27 27 ALA N N 15 127.238 0.200 . 1 . . . . 121 ALA N . 16969 1 315 . 1 1 28 28 MET H H 1 8.543 0.020 . 1 . . . . 122 MET H . 16969 1 316 . 1 1 28 28 MET HA H 1 4.223 0.020 . 1 . . . . 122 MET HA . 16969 1 317 . 1 1 28 28 MET HB2 H 1 2.189 0.020 . 2 . . . . 122 MET HB2 . 16969 1 318 . 1 1 28 28 MET HB3 H 1 2.189 0.020 . 2 . . . . 122 MET HB3 . 16969 1 319 . 1 1 28 28 MET HE1 H 1 2.131 0.020 . 1 . . . . 122 MET HE1 . 16969 1 320 . 1 1 28 28 MET HE2 H 1 2.131 0.020 . 1 . . . . 122 MET HE2 . 16969 1 321 . 1 1 28 28 MET HE3 H 1 2.131 0.020 . 1 . . . . 122 MET HE3 . 16969 1 322 . 1 1 28 28 MET HG2 H 1 2.710 0.020 . 2 . . . . 122 MET HG2 . 16969 1 323 . 1 1 28 28 MET HG3 H 1 2.453 0.020 . 2 . . . . 122 MET HG3 . 16969 1 324 . 1 1 28 28 MET C C 13 179.646 0.200 . 1 . . . . 122 MET C . 16969 1 325 . 1 1 28 28 MET CA C 13 58.191 0.200 . 1 . . . . 122 MET CA . 16969 1 326 . 1 1 28 28 MET CB C 13 31.287 0.200 . 1 . . . . 122 MET CB . 16969 1 327 . 1 1 28 28 MET CE C 13 17.708 0.200 . 1 . . . . 122 MET CE . 16969 1 328 . 1 1 28 28 MET CG C 13 32.345 0.200 . 1 . . . . 122 MET CG . 16969 1 329 . 1 1 28 28 MET N N 15 114.784 0.200 . 1 . . . . 122 MET N . 16969 1 330 . 1 1 29 29 GLN H H 1 7.988 0.020 . 1 . . . . 123 GLN H . 16969 1 331 . 1 1 29 29 GLN HA H 1 4.103 0.020 . 1 . . . . 123 GLN HA . 16969 1 332 . 1 1 29 29 GLN HB2 H 1 2.393 0.020 . 2 . . . . 123 GLN HB2 . 16969 1 333 . 1 1 29 29 GLN HB3 H 1 2.393 0.020 . 2 . . . . 123 GLN HB3 . 16969 1 334 . 1 1 29 29 GLN HE21 H 1 7.414 0.020 . 2 . . . . 123 GLN HE21 . 16969 1 335 . 1 1 29 29 GLN HE22 H 1 6.876 0.020 . 2 . . . . 123 GLN HE22 . 16969 1 336 . 1 1 29 29 GLN HG2 H 1 2.622 0.020 . 2 . . . . 123 GLN HG2 . 16969 1 337 . 1 1 29 29 GLN HG3 H 1 2.478 0.020 . 2 . . . . 123 GLN HG3 . 16969 1 338 . 1 1 29 29 GLN C C 13 179.006 0.200 . 1 . . . . 123 GLN C . 16969 1 339 . 1 1 29 29 GLN CA C 13 59.403 0.200 . 1 . . . . 123 GLN CA . 16969 1 340 . 1 1 29 29 GLN CB C 13 28.220 0.200 . 1 . . . . 123 GLN CB . 16969 1 341 . 1 1 29 29 GLN CG C 13 34.003 0.200 . 1 . . . . 123 GLN CG . 16969 1 342 . 1 1 29 29 GLN N N 15 122.719 0.200 . 1 . . . . 123 GLN N . 16969 1 343 . 1 1 29 29 GLN NE2 N 15 111.967 0.200 . 1 . . . . 123 GLN NE2 . 16969 1 344 . 1 1 30 30 LEU H H 1 8.920 0.020 . 1 . . . . 124 LEU H . 16969 1 345 . 1 1 30 30 LEU HA H 1 4.161 0.020 . 1 . . . . 124 LEU HA . 16969 1 346 . 1 1 30 30 LEU HB2 H 1 1.993 0.020 . 2 . . . . 124 LEU HB2 . 16969 1 347 . 1 1 30 30 LEU HB3 H 1 1.434 0.020 . 2 . . . . 124 LEU HB3 . 16969 1 348 . 1 1 30 30 LEU HD11 H 1 0.781 0.020 . 2 . . . . 124 LEU HD11 . 16969 1 349 . 1 1 30 30 LEU HD12 H 1 0.781 0.020 . 2 . . . . 124 LEU HD12 . 16969 1 350 . 1 1 30 30 LEU HD13 H 1 0.781 0.020 . 2 . . . . 124 LEU HD13 . 16969 1 351 . 1 1 30 30 LEU HD21 H 1 0.901 0.020 . 2 . . . . 124 LEU HD21 . 16969 1 352 . 1 1 30 30 LEU HD22 H 1 0.901 0.020 . 2 . . . . 124 LEU HD22 . 16969 1 353 . 1 1 30 30 LEU HD23 H 1 0.901 0.020 . 2 . . . . 124 LEU HD23 . 16969 1 354 . 1 1 30 30 LEU HG H 1 2.067 0.020 . 1 . . . . 124 LEU HG . 16969 1 355 . 1 1 30 30 LEU C C 13 180.611 0.200 . 1 . . . . 124 LEU C . 16969 1 356 . 1 1 30 30 LEU CA C 13 58.054 0.200 . 1 . . . . 124 LEU CA . 16969 1 357 . 1 1 30 30 LEU CB C 13 41.698 0.200 . 1 . . . . 124 LEU CB . 16969 1 358 . 1 1 30 30 LEU CD1 C 13 25.969 0.200 . 2 . . . . 124 LEU CD1 . 16969 1 359 . 1 1 30 30 LEU CD2 C 13 22.343 0.200 . 2 . . . . 124 LEU CD2 . 16969 1 360 . 1 1 30 30 LEU CG C 13 26.872 0.200 . 1 . . . . 124 LEU CG . 16969 1 361 . 1 1 30 30 LEU N N 15 121.312 0.200 . 1 . . . . 124 LEU N . 16969 1 362 . 1 1 31 31 LEU H H 1 8.723 0.020 . 1 . . . . 125 LEU H . 16969 1 363 . 1 1 31 31 LEU HA H 1 3.892 0.020 . 1 . . . . 125 LEU HA . 16969 1 364 . 1 1 31 31 LEU HB2 H 1 1.291 0.020 . 2 . . . . 125 LEU HB2 . 16969 1 365 . 1 1 31 31 LEU HB3 H 1 2.085 0.020 . 2 . . . . 125 LEU HB3 . 16969 1 366 . 1 1 31 31 LEU HD11 H 1 0.932 0.020 . 2 . . . . 125 LEU HD11 . 16969 1 367 . 1 1 31 31 LEU HD12 H 1 0.932 0.020 . 2 . . . . 125 LEU HD12 . 16969 1 368 . 1 1 31 31 LEU HD13 H 1 0.932 0.020 . 2 . . . . 125 LEU HD13 . 16969 1 369 . 1 1 31 31 LEU HD21 H 1 0.943 0.020 . 2 . . . . 125 LEU HD21 . 16969 1 370 . 1 1 31 31 LEU HD22 H 1 0.943 0.020 . 2 . . . . 125 LEU HD22 . 16969 1 371 . 1 1 31 31 LEU HD23 H 1 0.943 0.020 . 2 . . . . 125 LEU HD23 . 16969 1 372 . 1 1 31 31 LEU HG H 1 1.751 0.020 . 1 . . . . 125 LEU HG . 16969 1 373 . 1 1 31 31 LEU C C 13 178.513 0.200 . 1 . . . . 125 LEU C . 16969 1 374 . 1 1 31 31 LEU CA C 13 58.447 0.200 . 1 . . . . 125 LEU CA . 16969 1 375 . 1 1 31 31 LEU CB C 13 43.793 0.200 . 1 . . . . 125 LEU CB . 16969 1 376 . 1 1 31 31 LEU CD1 C 13 26.501 0.200 . 2 . . . . 125 LEU CD1 . 16969 1 377 . 1 1 31 31 LEU CD2 C 13 24.170 0.200 . 2 . . . . 125 LEU CD2 . 16969 1 378 . 1 1 31 31 LEU CG C 13 27.421 0.200 . 1 . . . . 125 LEU CG . 16969 1 379 . 1 1 31 31 LEU N N 15 120.840 0.200 . 1 . . . . 125 LEU N . 16969 1 380 . 1 1 32 32 THR H H 1 8.208 0.020 . 1 . . . . 126 THR H . 16969 1 381 . 1 1 32 32 THR HA H 1 3.728 0.020 . 1 . . . . 126 THR HA . 16969 1 382 . 1 1 32 32 THR HB H 1 4.361 0.020 . 1 . . . . 126 THR HB . 16969 1 383 . 1 1 32 32 THR HG21 H 1 1.252 0.020 . 1 . . . . 126 THR HG21 . 16969 1 384 . 1 1 32 32 THR HG22 H 1 1.252 0.020 . 1 . . . . 126 THR HG22 . 16969 1 385 . 1 1 32 32 THR HG23 H 1 1.252 0.020 . 1 . . . . 126 THR HG23 . 16969 1 386 . 1 1 32 32 THR C C 13 176.015 0.200 . 1 . . . . 126 THR C . 16969 1 387 . 1 1 32 32 THR CA C 13 67.438 0.200 . 1 . . . . 126 THR CA . 16969 1 388 . 1 1 32 32 THR CB C 13 68.939 0.200 . 1 . . . . 126 THR CB . 16969 1 389 . 1 1 32 32 THR CG2 C 13 21.144 0.200 . 1 . . . . 126 THR CG2 . 16969 1 390 . 1 1 32 32 THR N N 15 114.737 0.200 . 1 . . . . 126 THR N . 16969 1 391 . 1 1 33 33 ALA H H 1 8.255 0.020 . 1 . . . . 127 ALA H . 16969 1 392 . 1 1 33 33 ALA HA H 1 4.218 0.020 . 1 . . . . 127 ALA HA . 16969 1 393 . 1 1 33 33 ALA HB1 H 1 1.567 0.020 . 1 . . . . 127 ALA HB1 . 16969 1 394 . 1 1 33 33 ALA HB2 H 1 1.567 0.020 . 1 . . . . 127 ALA HB2 . 16969 1 395 . 1 1 33 33 ALA HB3 H 1 1.567 0.020 . 1 . . . . 127 ALA HB3 . 16969 1 396 . 1 1 33 33 ALA C C 13 180.201 0.200 . 1 . . . . 127 ALA C . 16969 1 397 . 1 1 33 33 ALA CA C 13 54.996 0.200 . 1 . . . . 127 ALA CA . 16969 1 398 . 1 1 33 33 ALA CB C 13 18.214 0.200 . 1 . . . . 127 ALA CB . 16969 1 399 . 1 1 33 33 ALA N N 15 123.227 0.200 . 1 . . . . 127 ALA N . 16969 1 400 . 1 1 34 34 GLU H H 1 7.891 0.020 . 1 . . . . 128 GLU H . 16969 1 401 . 1 1 34 34 GLU HA H 1 4.316 0.020 . 1 . . . . 128 GLU HA . 16969 1 402 . 1 1 34 34 GLU HB2 H 1 2.173 0.020 . 2 . . . . 128 GLU HB2 . 16969 1 403 . 1 1 34 34 GLU HB3 H 1 2.046 0.020 . 2 . . . . 128 GLU HB3 . 16969 1 404 . 1 1 34 34 GLU HG2 H 1 2.444 0.020 . 2 . . . . 128 GLU HG2 . 16969 1 405 . 1 1 34 34 GLU HG3 H 1 2.308 0.020 . 2 . . . . 128 GLU HG3 . 16969 1 406 . 1 1 34 34 GLU C C 13 178.255 0.200 . 1 . . . . 128 GLU C . 16969 1 407 . 1 1 34 34 GLU CA C 13 58.923 0.200 . 1 . . . . 128 GLU CA . 16969 1 408 . 1 1 34 34 GLU CB C 13 29.434 0.200 . 1 . . . . 128 GLU CB . 16969 1 409 . 1 1 34 34 GLU CG C 13 34.776 0.200 . 1 . . . . 128 GLU CG . 16969 1 410 . 1 1 34 34 GLU N N 15 121.279 0.200 . 1 . . . . 128 GLU N . 16969 1 411 . 1 1 35 35 ILE H H 1 8.279 0.020 . 1 . . . . 128 ILE H . 16969 1 412 . 1 1 35 35 ILE HA H 1 3.344 0.020 . 1 . . . . 128 ILE HA . 16969 1 413 . 1 1 35 35 ILE HB H 1 1.901 0.020 . 1 . . . . 128 ILE HB . 16969 1 414 . 1 1 35 35 ILE HD11 H 1 0.734 0.020 . 1 . . . . 128 ILE HD11 . 16969 1 415 . 1 1 35 35 ILE HD12 H 1 0.734 0.020 . 1 . . . . 128 ILE HD12 . 16969 1 416 . 1 1 35 35 ILE HD13 H 1 0.734 0.020 . 1 . . . . 128 ILE HD13 . 16969 1 417 . 1 1 35 35 ILE HG12 H 1 1.813 0.020 . 2 . . . . 128 ILE HG12 . 16969 1 418 . 1 1 35 35 ILE HG13 H 1 0.680 0.020 . 2 . . . . 128 ILE HG13 . 16969 1 419 . 1 1 35 35 ILE HG21 H 1 0.837 0.020 . 1 . . . . 128 ILE HG21 . 16969 1 420 . 1 1 35 35 ILE HG22 H 1 0.837 0.020 . 1 . . . . 128 ILE HG22 . 16969 1 421 . 1 1 35 35 ILE HG23 H 1 0.837 0.020 . 1 . . . . 128 ILE HG23 . 16969 1 422 . 1 1 35 35 ILE C C 13 177.815 0.200 . 1 . . . . 128 ILE C . 16969 1 423 . 1 1 35 35 ILE CA C 13 66.109 0.200 . 1 . . . . 128 ILE CA . 16969 1 424 . 1 1 35 35 ILE CB C 13 38.773 0.200 . 1 . . . . 128 ILE CB . 16969 1 425 . 1 1 35 35 ILE CD1 C 13 14.448 0.200 . 1 . . . . 128 ILE CD1 . 16969 1 426 . 1 1 35 35 ILE CG1 C 13 31.987 0.200 . 1 . . . . 128 ILE CG1 . 16969 1 427 . 1 1 35 35 ILE CG2 C 13 16.910 0.200 . 1 . . . . 128 ILE CG2 . 16969 1 428 . 1 1 35 35 ILE N N 15 119.710 0.200 . 1 . . . . 128 ILE N . 16969 1 429 . 1 1 36 36 GLU H H 1 8.105 0.020 . 1 . . . . 129 GLU H . 16969 1 430 . 1 1 36 36 GLU HA H 1 4.043 0.020 . 1 . . . . 129 GLU HA . 16969 1 431 . 1 1 36 36 GLU HB2 H 1 2.121 0.020 . 2 . . . . 129 GLU HB2 . 16969 1 432 . 1 1 36 36 GLU HB3 H 1 2.044 0.020 . 2 . . . . 129 GLU HB3 . 16969 1 433 . 1 1 36 36 GLU HG2 H 1 2.478 0.020 . 2 . . . . 129 GLU HG2 . 16969 1 434 . 1 1 36 36 GLU HG3 H 1 2.242 0.020 . 2 . . . . 129 GLU HG3 . 16969 1 435 . 1 1 36 36 GLU C C 13 178.799 0.200 . 1 . . . . 129 GLU C . 16969 1 436 . 1 1 36 36 GLU CA C 13 59.593 0.200 . 1 . . . . 129 GLU CA . 16969 1 437 . 1 1 36 36 GLU CB C 13 29.442 0.200 . 1 . . . . 129 GLU CB . 16969 1 438 . 1 1 36 36 GLU CG C 13 36.784 0.200 . 1 . . . . 129 GLU CG . 16969 1 439 . 1 1 36 36 GLU N N 15 117.950 0.200 . 1 . . . . 129 GLU N . 16969 1 440 . 1 1 37 37 LYS H H 1 7.908 0.020 . 1 . . . . 130 LYS H . 16969 1 441 . 1 1 37 37 LYS HA H 1 4.000 0.020 . 1 . . . . 130 LYS HA . 16969 1 442 . 1 1 37 37 LYS HB2 H 1 2.039 0.020 . 2 . . . . 130 LYS HB2 . 16969 1 443 . 1 1 37 37 LYS HB3 H 1 2.039 0.020 . 2 . . . . 130 LYS HB3 . 16969 1 444 . 1 1 37 37 LYS HD2 H 1 1.739 0.020 . 2 . . . . 130 LYS HD2 . 16969 1 445 . 1 1 37 37 LYS HD3 H 1 1.739 0.020 . 2 . . . . 130 LYS HD3 . 16969 1 446 . 1 1 37 37 LYS HE2 H 1 2.973 0.020 . 2 . . . . 130 LYS HE2 . 16969 1 447 . 1 1 37 37 LYS HE3 H 1 2.973 0.020 . 2 . . . . 130 LYS HE3 . 16969 1 448 . 1 1 37 37 LYS HG2 H 1 1.377 0.020 . 2 . . . . 130 LYS HG2 . 16969 1 449 . 1 1 37 37 LYS HG3 H 1 1.377 0.020 . 2 . . . . 130 LYS HG3 . 16969 1 450 . 1 1 37 37 LYS C C 13 179.475 0.200 . 1 . . . . 130 LYS C . 16969 1 451 . 1 1 37 37 LYS CA C 13 59.646 0.200 . 1 . . . . 130 LYS CA . 16969 1 452 . 1 1 37 37 LYS CB C 13 32.466 0.200 . 1 . . . . 130 LYS CB . 16969 1 453 . 1 1 37 37 LYS CD C 13 29.676 0.200 . 1 . . . . 130 LYS CD . 16969 1 454 . 1 1 37 37 LYS CG C 13 24.798 0.200 . 1 . . . . 130 LYS CG . 16969 1 455 . 1 1 37 37 LYS N N 15 119.434 0.200 . 1 . . . . 130 LYS N . 16969 1 456 . 1 1 38 38 ILE H H 1 8.004 0.020 . 1 . . . . 131 ILE H . 16969 1 457 . 1 1 38 38 ILE HA H 1 3.904 0.020 . 1 . . . . 131 ILE HA . 16969 1 458 . 1 1 38 38 ILE HB H 1 2.024 0.020 . 1 . . . . 131 ILE HB . 16969 1 459 . 1 1 38 38 ILE HD11 H 1 0.877 0.020 . 1 . . . . 131 ILE HD11 . 16969 1 460 . 1 1 38 38 ILE HD12 H 1 0.877 0.020 . 1 . . . . 131 ILE HD12 . 16969 1 461 . 1 1 38 38 ILE HD13 H 1 0.877 0.020 . 1 . . . . 131 ILE HD13 . 16969 1 462 . 1 1 38 38 ILE HG12 H 1 1.430 0.020 . 2 . . . . 131 ILE HG12 . 16969 1 463 . 1 1 38 38 ILE HG13 H 1 1.678 0.020 . 2 . . . . 131 ILE HG13 . 16969 1 464 . 1 1 38 38 ILE HG21 H 1 1.018 0.020 . 1 . . . . 131 ILE HG21 . 16969 1 465 . 1 1 38 38 ILE HG22 H 1 1.018 0.020 . 1 . . . . 131 ILE HG22 . 16969 1 466 . 1 1 38 38 ILE HG23 H 1 1.018 0.020 . 1 . . . . 131 ILE HG23 . 16969 1 467 . 1 1 38 38 ILE C C 13 178.587 0.200 . 1 . . . . 131 ILE C . 16969 1 468 . 1 1 38 38 ILE CA C 13 63.709 0.200 . 1 . . . . 131 ILE CA . 16969 1 469 . 1 1 38 38 ILE CB C 13 37.692 0.200 . 1 . . . . 131 ILE CB . 16969 1 470 . 1 1 38 38 ILE CD1 C 13 13.390 0.200 . 1 . . . . 131 ILE CD1 . 16969 1 471 . 1 1 38 38 ILE CG1 C 13 28.302 0.200 . 1 . . . . 131 ILE CG1 . 16969 1 472 . 1 1 38 38 ILE CG2 C 13 18.599 0.200 . 1 . . . . 131 ILE CG2 . 16969 1 473 . 1 1 38 38 ILE N N 15 119.245 0.200 . 1 . . . . 131 ILE N . 16969 1 474 . 1 1 39 39 GLN H H 1 8.494 0.020 . 1 . . . . 132 GLN H . 16969 1 475 . 1 1 39 39 GLN HA H 1 4.128 0.020 . 1 . . . . 132 GLN HA . 16969 1 476 . 1 1 39 39 GLN HB2 H 1 2.208 0.020 . 2 . . . . 132 GLN HB2 . 16969 1 477 . 1 1 39 39 GLN HB3 H 1 2.057 0.020 . 2 . . . . 132 GLN HB3 . 16969 1 478 . 1 1 39 39 GLN HE21 H 1 6.742 0.020 . 2 . . . . 132 GLN HE21 . 16969 1 479 . 1 1 39 39 GLN HE22 H 1 7.185 0.020 . 2 . . . . 132 GLN HE22 . 16969 1 480 . 1 1 39 39 GLN HG2 H 1 2.341 0.020 . 2 . . . . 132 GLN HG2 . 16969 1 481 . 1 1 39 39 GLN HG3 H 1 2.612 0.020 . 2 . . . . 132 GLN HG3 . 16969 1 482 . 1 1 39 39 GLN C C 13 177.139 0.200 . 1 . . . . 132 GLN C . 16969 1 483 . 1 1 39 39 GLN CA C 13 58.587 0.200 . 1 . . . . 132 GLN CA . 16969 1 484 . 1 1 39 39 GLN CB C 13 29.256 0.200 . 1 . . . . 132 GLN CB . 16969 1 485 . 1 1 39 39 GLN CG C 13 34.807 0.200 . 1 . . . . 132 GLN CG . 16969 1 486 . 1 1 39 39 GLN N N 15 119.071 0.200 . 1 . . . . 132 GLN N . 16969 1 487 . 1 1 39 39 GLN NE2 N 15 110.597 0.200 . 1 . . . . 132 GLN NE2 . 16969 1 488 . 1 1 40 40 LYS H H 1 8.044 0.020 . 1 . . . . 133 LYS H . 16969 1 489 . 1 1 40 40 LYS HA H 1 4.258 0.020 . 1 . . . . 133 LYS HA . 16969 1 490 . 1 1 40 40 LYS HB2 H 1 1.936 0.020 . 2 . . . . 133 LYS HB2 . 16969 1 491 . 1 1 40 40 LYS HB3 H 1 1.936 0.020 . 2 . . . . 133 LYS HB3 . 16969 1 492 . 1 1 40 40 LYS HD2 H 1 1.691 0.020 . 2 . . . . 133 LYS HD2 . 16969 1 493 . 1 1 40 40 LYS HD3 H 1 1.691 0.020 . 2 . . . . 133 LYS HD3 . 16969 1 494 . 1 1 40 40 LYS HE2 H 1 2.996 0.020 . 2 . . . . 133 LYS HE2 . 16969 1 495 . 1 1 40 40 LYS HE3 H 1 2.996 0.020 . 2 . . . . 133 LYS HE3 . 16969 1 496 . 1 1 40 40 LYS HG2 H 1 1.612 0.020 . 2 . . . . 133 LYS HG2 . 16969 1 497 . 1 1 40 40 LYS HG3 H 1 1.514 0.020 . 2 . . . . 133 LYS HG3 . 16969 1 498 . 1 1 40 40 LYS C C 13 176.814 0.200 . 1 . . . . 133 LYS C . 16969 1 499 . 1 1 40 40 LYS CA C 13 57.602 0.200 . 1 . . . . 133 LYS CA . 16969 1 500 . 1 1 40 40 LYS CB C 13 32.763 0.200 . 1 . . . . 133 LYS CB . 16969 1 501 . 1 1 40 40 LYS CD C 13 29.202 0.200 . 1 . . . . 133 LYS CD . 16969 1 502 . 1 1 40 40 LYS CG C 13 25.194 0.200 . 1 . . . . 133 LYS CG . 16969 1 503 . 1 1 40 40 LYS N N 15 118.397 0.200 . 1 . . . . 133 LYS N . 16969 1 504 . 1 1 41 41 GLY H H 1 7.860 0.020 . 1 . . . . 134 GLY H . 16969 1 505 . 1 1 41 41 GLY HA2 H 1 4.016 0.020 . 2 . . . . 134 GLY HA2 . 16969 1 506 . 1 1 41 41 GLY HA3 H 1 4.016 0.020 . 2 . . . . 134 GLY HA3 . 16969 1 507 . 1 1 41 41 GLY CA C 13 45.916 0.200 . 1 . . . . 134 GLY CA . 16969 1 508 . 1 1 41 41 GLY N N 15 107.513 0.200 . 1 . . . . 134 GLY N . 16969 1 stop_ save_