################################### # 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 17236 _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 '2D 1H-15N HSQC' . . . 17236 1 2 '2D 1H-13C HSQC' . . . 17236 1 3 '3D CBCA(CO)NH' . . . 17236 1 4 '3D HNCO' . . . 17236 1 5 '3D HNCA' . . . 17236 1 6 '3D HBHA(CO)NH' . . . 17236 1 7 '3D HCCH-TOCSY' . . . 17236 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 3 $XEASY . . 17236 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 6 6 GLY H H 1 8.68 0.02 . 1 . . . . 7 GLY H . 17236 1 2 . 1 1 6 6 GLY C C 13 172.5 0.3 . 1 . . . . 7 GLY C . 17236 1 3 . 1 1 6 6 GLY CA C 13 44.3 0.3 . 1 . . . . 7 GLY CA . 17236 1 4 . 1 1 6 6 GLY N N 15 111.5 0.3 . 1 . . . . 7 GLY N . 17236 1 5 . 1 1 7 7 GLU H H 1 8.10 0.02 . 1 . . . . 8 GLU H . 17236 1 6 . 1 1 7 7 GLU C C 13 171.1 0.3 . 1 . . . . 8 GLU C . 17236 1 7 . 1 1 7 7 GLU CA C 13 56.3 0.3 . 1 . . . . 8 GLU CA . 17236 1 8 . 1 1 7 7 GLU CB C 13 26.5 0.3 . 1 . . . . 8 GLU CB . 17236 1 9 . 1 1 7 7 GLU N N 15 121.4 0.3 . 1 . . . . 8 GLU N . 17236 1 10 . 1 1 8 8 GLN H H 1 7.29 0.02 . 1 . . . . 9 GLN H . 17236 1 11 . 1 1 8 8 GLN C C 13 174.8 0.3 . 1 . . . . 9 GLN C . 17236 1 12 . 1 1 8 8 GLN CA C 13 56.1 0.3 . 1 . . . . 9 GLN CA . 17236 1 13 . 1 1 8 8 GLN CB C 13 25.0 0.3 . 1 . . . . 9 GLN CB . 17236 1 14 . 1 1 8 8 GLN N N 15 118.4 0.3 . 1 . . . . 9 GLN N . 17236 1 15 . 1 1 9 9 ILE H H 1 7.88 0.02 . 1 . . . . 10 ILE H . 17236 1 16 . 1 1 9 9 ILE HA H 1 3.05 0.02 . 1 . . . . 10 ILE HA . 17236 1 17 . 1 1 9 9 ILE HB H 1 1.12 0.02 . 1 . . . . 10 ILE HB . 17236 1 18 . 1 1 9 9 ILE HG12 H 1 1.46 0.02 . 2 . . . . 10 ILE HG12 . 17236 1 19 . 1 1 9 9 ILE HG13 H 1 0.53 0.02 . 2 . . . . 10 ILE HG13 . 17236 1 20 . 1 1 9 9 ILE C C 13 176.9 0.3 . 1 . . . . 10 ILE C . 17236 1 21 . 1 1 9 9 ILE CA C 13 62.5 0.3 . 1 . . . . 10 ILE CA . 17236 1 22 . 1 1 9 9 ILE CB C 13 35.0 0.3 . 1 . . . . 10 ILE CB . 17236 1 23 . 1 1 9 9 ILE CD1 C 13 11.0 0.3 . 1 . . . . 10 ILE CD1 . 17236 1 24 . 1 1 9 9 ILE CG1 C 13 25.1 0.3 . 1 . . . . 10 ILE CG1 . 17236 1 25 . 1 1 9 9 ILE CG2 C 13 14.1 0.3 . 1 . . . . 10 ILE CG2 . 17236 1 26 . 1 1 9 9 ILE N N 15 121.1 0.3 . 1 . . . . 10 ILE N . 17236 1 27 . 1 1 10 10 PHE H H 1 8.18 0.02 . 1 . . . . 11 PHE H . 17236 1 28 . 1 1 10 10 PHE HA H 1 2.83 0.02 . 1 . . . . 11 PHE HA . 17236 1 29 . 1 1 10 10 PHE HB2 H 1 2.52 0.02 . 2 . . . . 11 PHE HB2 . 17236 1 30 . 1 1 10 10 PHE HB3 H 1 2.11 0.02 . 2 . . . . 11 PHE HB3 . 17236 1 31 . 1 1 10 10 PHE C C 13 174.1 0.3 . 1 . . . . 11 PHE C . 17236 1 32 . 1 1 10 10 PHE CA C 13 59.6 0.3 . 1 . . . . 11 PHE CA . 17236 1 33 . 1 1 10 10 PHE CB C 13 36.6 0.3 . 1 . . . . 11 PHE CB . 17236 1 34 . 1 1 10 10 PHE N N 15 120.2 0.3 . 1 . . . . 11 PHE N . 17236 1 35 . 1 1 11 11 ARG H H 1 8.58 0.02 . 1 . . . . 12 ARG H . 17236 1 36 . 1 1 11 11 ARG C C 13 175.8 0.3 . 1 . . . . 12 ARG C . 17236 1 37 . 1 1 11 11 ARG CA C 13 57.2 0.3 . 1 . . . . 12 ARG CA . 17236 1 38 . 1 1 11 11 ARG CB C 13 27.3 0.3 . 1 . . . . 12 ARG CB . 17236 1 39 . 1 1 11 11 ARG N N 15 119.1 0.3 . 1 . . . . 12 ARG N . 17236 1 40 . 1 1 12 12 THR H H 1 7.55 0.02 . 1 . . . . 13 THR H . 17236 1 41 . 1 1 12 12 THR CA C 13 61.7 0.3 . 1 . . . . 13 THR CA . 17236 1 42 . 1 1 12 12 THR CB C 13 67.2 0.3 . 1 . . . . 13 THR CB . 17236 1 43 . 1 1 12 12 THR N N 15 109.1 0.3 . 1 . . . . 13 THR N . 17236 1 44 . 1 1 13 13 ARG H H 1 8.07 0.02 . 1 . . . . 14 ARG H . 17236 1 45 . 1 1 13 13 ARG C C 13 173.7 0.3 . 1 . . . . 14 ARG C . 17236 1 46 . 1 1 13 13 ARG CA C 13 53.7 0.3 . 1 . . . . 14 ARG CA . 17236 1 47 . 1 1 13 13 ARG CB C 13 28.7 0.3 . 1 . . . . 14 ARG CB . 17236 1 48 . 1 1 13 13 ARG N N 15 116.2 0.3 . 1 . . . . 14 ARG N . 17236 1 49 . 1 1 14 14 CYS H H 1 7.25 0.02 . 1 . . . . 15 CYS H . 17236 1 50 . 1 1 14 14 CYS C C 13 173.9 0.3 . 1 . . . . 15 CYS C . 17236 1 51 . 1 1 14 14 CYS CA C 13 50.9 0.3 . 1 . . . . 15 CYS CA . 17236 1 52 . 1 1 14 14 CYS CB C 13 33.1 0.3 . 1 . . . . 15 CYS CB . 17236 1 53 . 1 1 14 14 CYS N N 15 115.1 0.3 . 1 . . . . 15 CYS N . 17236 1 54 . 1 1 15 15 SER H H 1 7.59 0.02 . 1 . . . . 16 SER H . 17236 1 55 . 1 1 15 15 SER C C 13 175.1 0.3 . 1 . . . . 16 SER C . 17236 1 56 . 1 1 15 15 SER CA C 13 59.2 0.3 . 1 . . . . 16 SER CA . 17236 1 57 . 1 1 15 15 SER CB C 13 61.1 0.3 . 1 . . . . 16 SER CB . 17236 1 58 . 1 1 15 15 SER N N 15 115.6 0.3 . 1 . . . . 16 SER N . 17236 1 59 . 1 1 16 16 SER H H 1 8.76 0.02 . 1 . . . . 17 SER H . 17236 1 60 . 1 1 16 16 SER C C 13 173.1 0.3 . 1 . . . . 17 SER C . 17236 1 61 . 1 1 16 16 SER CA C 13 58.7 0.3 . 1 . . . . 17 SER CA . 17236 1 62 . 1 1 16 16 SER CB C 13 60.2 0.3 . 1 . . . . 17 SER CB . 17236 1 63 . 1 1 16 16 SER N N 15 116.7 0.3 . 1 . . . . 17 SER N . 17236 1 64 . 1 1 17 17 CYS H H 1 9.44 0.02 . 1 . . . . 18 CYS H . 17236 1 65 . 1 1 17 17 CYS HA H 1 7.11 0.02 . 1 . . . . 18 CYS HA . 17236 1 66 . 1 1 17 17 CYS C C 13 174.4 0.3 . 1 . . . . 18 CYS C . 17236 1 67 . 1 1 17 17 CYS CA C 13 55.9 0.3 . 1 . . . . 18 CYS CA . 17236 1 68 . 1 1 17 17 CYS CB C 13 38.5 0.3 . 1 . . . . 18 CYS CB . 17236 1 69 . 1 1 17 17 CYS N N 15 116.9 0.3 . 1 . . . . 18 CYS N . 17236 1 70 . 1 1 18 18 HIS H H 1 11.07 0.02 . 1 . . . . 19 HIS H . 17236 1 71 . 1 1 18 18 HIS C C 13 174.1 0.3 . 1 . . . . 19 HIS C . 17236 1 72 . 1 1 18 18 HIS CA C 13 78.4 0.3 . 1 . . . . 19 HIS CA . 17236 1 73 . 1 1 18 18 HIS CB C 13 20.9 0.3 . 1 . . . . 19 HIS CB . 17236 1 74 . 1 1 18 18 HIS N N 15 117.6 0.3 . 1 . . . . 19 HIS N . 17236 1 75 . 1 1 19 19 THR H H 1 10.03 0.02 . 1 . . . . 20 THR H . 17236 1 76 . 1 1 19 19 THR C C 13 174.8 0.3 . 1 . . . . 20 THR C . 17236 1 77 . 1 1 19 19 THR CA C 13 58.7 0.3 . 1 . . . . 20 THR CA . 17236 1 78 . 1 1 19 19 THR CB C 13 69.5 0.3 . 1 . . . . 20 THR CB . 17236 1 79 . 1 1 19 19 THR N N 15 114.8 0.3 . 1 . . . . 20 THR N . 17236 1 80 . 1 1 20 20 VAL H H 1 9.17 0.02 . 1 . . . . 21 VAL H . 17236 1 81 . 1 1 20 20 VAL C C 13 172.5 0.3 . 1 . . . . 21 VAL C . 17236 1 82 . 1 1 20 20 VAL CA C 13 59.4 0.3 . 1 . . . . 21 VAL CA . 17236 1 83 . 1 1 20 20 VAL CB C 13 29.3 0.3 . 1 . . . . 21 VAL CB . 17236 1 84 . 1 1 20 20 VAL N N 15 120.9 0.3 . 1 . . . . 21 VAL N . 17236 1 85 . 1 1 21 21 GLY H H 1 10.68 0.02 . 1 . . . . 22 GLY H . 17236 1 86 . 1 1 21 21 GLY C C 13 172.3 0.3 . 1 . . . . 22 GLY C . 17236 1 87 . 1 1 21 21 GLY CA C 13 43.1 0.3 . 1 . . . . 22 GLY CA . 17236 1 88 . 1 1 21 21 GLY N N 15 116.6 0.3 . 1 . . . . 22 GLY N . 17236 1 89 . 1 1 22 22 ASN H H 1 9.11 0.02 . 1 . . . . 23 ASN H . 17236 1 90 . 1 1 22 22 ASN C C 13 171.4 0.3 . 1 . . . . 23 ASN C . 17236 1 91 . 1 1 22 22 ASN CA C 13 50.9 0.3 . 1 . . . . 23 ASN CA . 17236 1 92 . 1 1 22 22 ASN CB C 13 35.4 0.3 . 1 . . . . 23 ASN CB . 17236 1 93 . 1 1 22 22 ASN N N 15 119.3 0.3 . 1 . . . . 23 ASN N . 17236 1 94 . 1 1 23 23 THR H H 1 8.27 0.02 . 1 . . . . 24 THR H . 17236 1 95 . 1 1 23 23 THR C C 13 176.7 0.3 . 1 . . . . 24 THR C . 17236 1 96 . 1 1 23 23 THR CA C 13 59.1 0.3 . 1 . . . . 24 THR CA . 17236 1 97 . 1 1 23 23 THR CB C 13 67.2 0.3 . 1 . . . . 24 THR CB . 17236 1 98 . 1 1 23 23 THR N N 15 113.8 0.3 . 1 . . . . 24 THR N . 17236 1 99 . 1 1 24 24 GLU H H 1 8.41 0.02 . 1 . . . . 25 GLU H . 17236 1 100 . 1 1 24 24 GLU C C 13 172.0 0.3 . 1 . . . . 25 GLU C . 17236 1 101 . 1 1 24 24 GLU CA C 13 51.3 0.3 . 1 . . . . 25 GLU CA . 17236 1 102 . 1 1 24 24 GLU CB C 13 27.2 0.3 . 1 . . . . 25 GLU CB . 17236 1 103 . 1 1 24 24 GLU N N 15 124.1 0.3 . 1 . . . . 25 GLU N . 17236 1 104 . 1 1 26 26 GLY H H 1 8.65 0.02 . 1 . . . . 27 GLY H . 17236 1 105 . 1 1 26 26 GLY CA C 13 42.7 0.3 . 1 . . . . 27 GLY CA . 17236 1 106 . 1 1 26 26 GLY N N 15 109.3 0.3 . 1 . . . . 27 GLY N . 17236 1 107 . 1 1 27 27 GLN H H 1 8.00 0.02 . 1 . . . . 28 GLN H . 17236 1 108 . 1 1 27 27 GLN C C 13 171.3 0.3 . 1 . . . . 28 GLN C . 17236 1 109 . 1 1 27 27 GLN CA C 13 50.6 0.3 . 1 . . . . 28 GLN CA . 17236 1 110 . 1 1 27 27 GLN CB C 13 26.2 0.3 . 1 . . . . 28 GLN CB . 17236 1 111 . 1 1 27 27 GLN N N 15 120.2 0.3 . 1 . . . . 28 GLN N . 17236 1 112 . 1 1 29 29 GLY H H 1 8.68 0.02 . 1 . . . . 30 GLY H . 17236 1 113 . 1 1 29 29 GLY C C 13 175.0 0.3 . 1 . . . . 30 GLY C . 17236 1 114 . 1 1 29 29 GLY CA C 13 42.3 0.3 . 1 . . . . 30 GLY CA . 17236 1 115 . 1 1 29 29 GLY N N 15 109.3 0.3 . 1 . . . . 30 GLY N . 17236 1 116 . 1 1 30 30 ILE H H 1 9.09 0.02 . 1 . . . . 31 ILE H . 17236 1 117 . 1 1 30 30 ILE HA H 1 3.70 0.02 . 1 . . . . 31 ILE HA . 17236 1 118 . 1 1 30 30 ILE HB H 1 2.08 0.02 . 1 . . . . 31 ILE HB . 17236 1 119 . 1 1 30 30 ILE C C 13 171.4 0.3 . 1 . . . . 31 ILE C . 17236 1 120 . 1 1 30 30 ILE CA C 13 61.2 0.3 . 1 . . . . 31 ILE CA . 17236 1 121 . 1 1 30 30 ILE CB C 13 36.1 0.3 . 1 . . . . 31 ILE CB . 17236 1 122 . 1 1 30 30 ILE CD1 C 13 10.4 0.3 . 1 . . . . 31 ILE CD1 . 17236 1 123 . 1 1 30 30 ILE CG1 C 13 25.4 0.3 . 1 . . . . 31 ILE CG1 . 17236 1 124 . 1 1 30 30 ILE CG2 C 13 14.8 0.3 . 1 . . . . 31 ILE CG2 . 17236 1 125 . 1 1 30 30 ILE N N 15 120.5 0.3 . 1 . . . . 31 ILE N . 17236 1 126 . 1 1 31 31 GLY H H 1 8.84 0.02 . 1 . . . . 32 GLY H . 17236 1 127 . 1 1 31 31 GLY C C 13 172.9 0.3 . 1 . . . . 32 GLY C . 17236 1 128 . 1 1 31 31 GLY CA C 13 39.3 0.3 . 1 . . . . 32 GLY CA . 17236 1 129 . 1 1 31 31 GLY N N 15 103.6 0.3 . 1 . . . . 32 GLY N . 17236 1 130 . 1 1 33 33 ASP H H 1 9.44 0.02 . 1 . . . . 34 ASP H . 17236 1 131 . 1 1 33 33 ASP HA H 1 6.17 0.02 . 1 . . . . 34 ASP HA . 17236 1 132 . 1 1 33 33 ASP HB2 H 1 2.92 0.02 . 2 . . . . 34 ASP HB2 . 17236 1 133 . 1 1 33 33 ASP HB3 H 1 3.05 0.02 . 2 . . . . 34 ASP HB3 . 17236 1 134 . 1 1 33 33 ASP C C 13 175.4 0.3 . 1 . . . . 34 ASP C . 17236 1 135 . 1 1 33 33 ASP CA C 13 53.1 0.3 . 1 . . . . 34 ASP CA . 17236 1 136 . 1 1 33 33 ASP CB C 13 40.8 0.3 . 1 . . . . 34 ASP CB . 17236 1 137 . 1 1 33 33 ASP N N 15 124.7 0.3 . 1 . . . . 34 ASP N . 17236 1 138 . 1 1 34 34 LEU H H 1 9.46 0.02 . 1 . . . . 35 LEU H . 17236 1 139 . 1 1 34 34 LEU C C 13 175.5 0.3 . 1 . . . . 35 LEU C . 17236 1 140 . 1 1 34 34 LEU CA C 13 51.2 0.3 . 1 . . . . 35 LEU CA . 17236 1 141 . 1 1 34 34 LEU CB C 13 40.1 0.3 . 1 . . . . 35 LEU CB . 17236 1 142 . 1 1 34 34 LEU N N 15 122.3 0.3 . 1 . . . . 35 LEU N . 17236 1 143 . 1 1 35 35 LEU H H 1 8.49 0.02 . 1 . . . . 36 LEU H . 17236 1 144 . 1 1 35 35 LEU C C 13 174.2 0.3 . 1 . . . . 36 LEU C . 17236 1 145 . 1 1 35 35 LEU CA C 13 54.9 0.3 . 1 . . . . 36 LEU CA . 17236 1 146 . 1 1 35 35 LEU CB C 13 38.5 0.3 . 1 . . . . 36 LEU CB . 17236 1 147 . 1 1 35 35 LEU N N 15 123.2 0.3 . 1 . . . . 36 LEU N . 17236 1 148 . 1 1 36 36 GLY H H 1 7.93 0.02 . 1 . . . . 37 GLY H . 17236 1 149 . 1 1 36 36 GLY C C 13 175.8 0.3 . 1 . . . . 37 GLY C . 17236 1 150 . 1 1 36 36 GLY CA C 13 43.2 0.3 . 1 . . . . 37 GLY CA . 17236 1 151 . 1 1 36 36 GLY N N 15 114.3 0.3 . 1 . . . . 37 GLY N . 17236 1 152 . 1 1 37 37 VAL H H 1 7.59 0.02 . 1 . . . . 38 VAL H . 17236 1 153 . 1 1 37 37 VAL C C 13 173.8 0.3 . 1 . . . . 38 VAL C . 17236 1 154 . 1 1 37 37 VAL CA C 13 62.8 0.3 . 1 . . . . 38 VAL CA . 17236 1 155 . 1 1 37 37 VAL CB C 13 28.0 0.3 . 1 . . . . 38 VAL CB . 17236 1 156 . 1 1 37 37 VAL N N 15 122.4 0.3 . 1 . . . . 38 VAL N . 17236 1 157 . 1 1 38 38 THR H H 1 7.45 0.02 . 1 . . . . 39 THR H . 17236 1 158 . 1 1 38 38 THR HA H 1 3.73 0.02 . 1 . . . . 39 THR HA . 17236 1 159 . 1 1 38 38 THR HB H 1 4.17 0.02 . 1 . . . . 39 THR HB . 17236 1 160 . 1 1 38 38 THR C C 13 173.1 0.3 . 1 . . . . 39 THR C . 17236 1 161 . 1 1 38 38 THR CA C 13 61.0 0.3 . 1 . . . . 39 THR CA . 17236 1 162 . 1 1 38 38 THR CB C 13 64.0 0.3 . 1 . . . . 39 THR CB . 17236 1 163 . 1 1 38 38 THR CG2 C 13 20.5 0.3 . 1 . . . . 39 THR CG2 . 17236 1 164 . 1 1 38 38 THR N N 15 108.0 0.3 . 1 . . . . 39 THR N . 17236 1 165 . 1 1 39 39 ARG H H 1 7.16 0.02 . 1 . . . . 40 ARG H . 17236 1 166 . 1 1 39 39 ARG C C 13 172.9 0.3 . 1 . . . . 40 ARG C . 17236 1 167 . 1 1 39 39 ARG CA C 13 53.3 0.3 . 1 . . . . 40 ARG CA . 17236 1 168 . 1 1 39 39 ARG CB C 13 27.2 0.3 . 1 . . . . 40 ARG CB . 17236 1 169 . 1 1 39 39 ARG N N 15 118.6 0.3 . 1 . . . . 40 ARG N . 17236 1 170 . 1 1 40 40 GLN H H 1 7.18 0.02 . 1 . . . . 41 GLN H . 17236 1 171 . 1 1 40 40 GLN C C 13 174.2 0.3 . 1 . . . . 41 GLN C . 17236 1 172 . 1 1 40 40 GLN CA C 13 53.6 0.3 . 1 . . . . 41 GLN CA . 17236 1 173 . 1 1 40 40 GLN CB C 13 27.7 0.3 . 1 . . . . 41 GLN CB . 17236 1 174 . 1 1 40 40 GLN N N 15 116.1 0.3 . 1 . . . . 41 GLN N . 17236 1 175 . 1 1 41 41 ARG H H 1 7.06 0.02 . 1 . . . . 42 ARG H . 17236 1 176 . 1 1 41 41 ARG C C 13 173.0 0.3 . 1 . . . . 42 ARG C . 17236 1 177 . 1 1 41 41 ARG CA C 13 49.1 0.3 . 1 . . . . 42 ARG CA . 17236 1 178 . 1 1 41 41 ARG CB C 13 28.9 0.3 . 1 . . . . 42 ARG CB . 17236 1 179 . 1 1 41 41 ARG N N 15 114.5 0.3 . 1 . . . . 42 ARG N . 17236 1 180 . 1 1 42 42 ASP H H 1 8.47 0.02 . 1 . . . . 43 ASP H . 17236 1 181 . 1 1 42 42 ASP C C 13 173.0 0.3 . 1 . . . . 43 ASP C . 17236 1 182 . 1 1 42 42 ASP CA C 13 51.8 0.3 . 1 . . . . 43 ASP CA . 17236 1 183 . 1 1 42 42 ASP CB C 13 39.9 0.3 . 1 . . . . 43 ASP CB . 17236 1 184 . 1 1 42 42 ASP N N 15 123.0 0.3 . 1 . . . . 43 ASP N . 17236 1 185 . 1 1 43 43 ALA H H 1 8.86 0.02 . 1 . . . . 44 ALA H . 17236 1 186 . 1 1 43 43 ALA C C 13 174.2 0.3 . 1 . . . . 44 ALA C . 17236 1 187 . 1 1 43 43 ALA CA C 13 53.3 0.3 . 1 . . . . 44 ALA CA . 17236 1 188 . 1 1 43 43 ALA CB C 13 15.8 0.3 . 1 . . . . 44 ALA CB . 17236 1 189 . 1 1 43 43 ALA N N 15 128.9 0.3 . 1 . . . . 44 ALA N . 17236 1 190 . 1 1 44 44 ASN H H 1 8.28 0.02 . 1 . . . . 45 ASN H . 17236 1 191 . 1 1 44 44 ASN C C 13 173.0 0.3 . 1 . . . . 45 ASN C . 17236 1 192 . 1 1 44 44 ASN CA C 13 53.2 0.3 . 1 . . . . 45 ASN CA . 17236 1 193 . 1 1 44 44 ASN N N 15 113.8 0.3 . 1 . . . . 45 ASN N . 17236 1 194 . 1 1 45 45 TRP H H 1 8.11 0.02 . 1 . . . . 46 TRP H . 17236 1 195 . 1 1 45 45 TRP C C 13 175.6 0.3 . 1 . . . . 46 TRP C . 17236 1 196 . 1 1 45 45 TRP CA C 13 60.1 0.3 . 1 . . . . 46 TRP CA . 17236 1 197 . 1 1 45 45 TRP CB C 13 27.2 0.3 . 1 . . . . 46 TRP CB . 17236 1 198 . 1 1 45 45 TRP N N 15 124.0 0.3 . 1 . . . . 46 TRP N . 17236 1 199 . 1 1 46 46 LEU H H 1 8.41 0.02 . 1 . . . . 47 LEU H . 17236 1 200 . 1 1 46 46 LEU C C 13 174.0 0.3 . 1 . . . . 47 LEU C . 17236 1 201 . 1 1 46 46 LEU CA C 13 55.8 0.3 . 1 . . . . 47 LEU CA . 17236 1 202 . 1 1 46 46 LEU CB C 13 39.7 0.3 . 1 . . . . 47 LEU CB . 17236 1 203 . 1 1 46 46 LEU N N 15 117.2 0.3 . 1 . . . . 47 LEU N . 17236 1 204 . 1 1 47 47 VAL H H 1 7.78 0.02 . 1 . . . . 48 VAL H . 17236 1 205 . 1 1 47 47 VAL C C 13 175.1 0.3 . 1 . . . . 48 VAL C . 17236 1 206 . 1 1 47 47 VAL CA C 13 64.0 0.3 . 1 . . . . 48 VAL CA . 17236 1 207 . 1 1 47 47 VAL CB C 13 29.1 0.3 . 1 . . . . 48 VAL CB . 17236 1 208 . 1 1 47 47 VAL N N 15 115.8 0.3 . 1 . . . . 48 VAL N . 17236 1 209 . 1 1 48 48 ARG H H 1 7.27 0.02 . 1 . . . . 49 ARG H . 17236 1 210 . 1 1 48 48 ARG C C 13 174.2 0.3 . 1 . . . . 49 ARG C . 17236 1 211 . 1 1 48 48 ARG CA C 13 57.9 0.3 . 1 . . . . 49 ARG CA . 17236 1 212 . 1 1 48 48 ARG CB C 13 27.1 0.3 . 1 . . . . 49 ARG CB . 17236 1 213 . 1 1 48 48 ARG N N 15 118.8 0.3 . 1 . . . . 49 ARG N . 17236 1 214 . 1 1 49 49 TRP H H 1 9.13 0.02 . 1 . . . . 50 TRP H . 17236 1 215 . 1 1 49 49 TRP HA H 1 5.41 0.02 . 1 . . . . 50 TRP HA . 17236 1 216 . 1 1 49 49 TRP HB2 H 1 3.35 0.02 . 2 . . . . 50 TRP HB2 . 17236 1 217 . 1 1 49 49 TRP HB3 H 1 2.56 0.02 . 2 . . . . 50 TRP HB3 . 17236 1 218 . 1 1 49 49 TRP C C 13 174.8 0.3 . 1 . . . . 50 TRP C . 17236 1 219 . 1 1 49 49 TRP CA C 13 58.5 0.3 . 1 . . . . 50 TRP CA . 17236 1 220 . 1 1 49 49 TRP CB C 13 27.0 0.3 . 1 . . . . 50 TRP CB . 17236 1 221 . 1 1 49 49 TRP N N 15 120.6 0.3 . 1 . . . . 50 TRP N . 17236 1 222 . 1 1 50 50 LEU H H 1 8.07 0.02 . 1 . . . . 51 LEU H . 17236 1 223 . 1 1 50 50 LEU C C 13 174.1 0.3 . 1 . . . . 51 LEU C . 17236 1 224 . 1 1 50 50 LEU CA C 13 54.9 0.3 . 1 . . . . 51 LEU CA . 17236 1 225 . 1 1 50 50 LEU CB C 13 39.0 0.3 . 1 . . . . 51 LEU CB . 17236 1 226 . 1 1 50 50 LEU N N 15 111.2 0.3 . 1 . . . . 51 LEU N . 17236 1 227 . 1 1 51 51 LYS H H 1 8.17 0.02 . 1 . . . . 52 LYS H . 17236 1 228 . 1 1 51 51 LYS C C 13 177.2 0.3 . 1 . . . . 52 LYS C . 17236 1 229 . 1 1 51 51 LYS CA C 13 57.7 0.3 . 1 . . . . 52 LYS CA . 17236 1 230 . 1 1 51 51 LYS CB C 13 31.7 0.3 . 1 . . . . 52 LYS CB . 17236 1 231 . 1 1 51 51 LYS N N 15 118.2 0.3 . 1 . . . . 52 LYS N . 17236 1 232 . 1 1 52 52 VAL H H 1 9.50 0.02 . 1 . . . . 53 VAL H . 17236 1 233 . 1 1 52 52 VAL C C 13 176.0 0.3 . 1 . . . . 53 VAL C . 17236 1 234 . 1 1 52 52 VAL CA C 13 55.7 0.3 . 1 . . . . 53 VAL CA . 17236 1 235 . 1 1 52 52 VAL CB C 13 30.7 0.3 . 1 . . . . 53 VAL CB . 17236 1 236 . 1 1 52 52 VAL N N 15 110.8 0.3 . 1 . . . . 53 VAL N . 17236 1 237 . 1 1 54 54 ASP H H 1 9.91 0.02 . 1 . . . . 55 ASP H . 17236 1 238 . 1 1 54 54 ASP C C 13 177.3 0.3 . 1 . . . . 55 ASP C . 17236 1 239 . 1 1 54 54 ASP CA C 13 53.8 0.3 . 1 . . . . 55 ASP CA . 17236 1 240 . 1 1 54 54 ASP CB C 13 35.8 0.3 . 1 . . . . 55 ASP CB . 17236 1 241 . 1 1 54 54 ASP N N 15 112.9 0.3 . 1 . . . . 55 ASP N . 17236 1 242 . 1 1 55 55 GLN H H 1 7.86 0.02 . 1 . . . . 56 GLN H . 17236 1 243 . 1 1 55 55 GLN C C 13 179.0 0.3 . 1 . . . . 56 GLN C . 17236 1 244 . 1 1 55 55 GLN CA C 13 56.1 0.3 . 1 . . . . 56 GLN CA . 17236 1 245 . 1 1 55 55 GLN CB C 13 25.4 0.3 . 1 . . . . 56 GLN CB . 17236 1 246 . 1 1 55 55 GLN N N 15 122.9 0.3 . 1 . . . . 56 GLN N . 17236 1 247 . 1 1 56 56 MET H H 1 8.33 0.02 . 1 . . . . 57 MET H . 17236 1 248 . 1 1 56 56 MET C C 13 175.8 0.3 . 1 . . . . 57 MET C . 17236 1 249 . 1 1 56 56 MET CA C 13 57.9 0.3 . 1 . . . . 57 MET CA . 17236 1 250 . 1 1 56 56 MET N N 15 119.0 0.3 . 1 . . . . 57 MET N . 17236 1 251 . 1 1 57 57 LEU H H 1 8.80 0.02 . 1 . . . . 58 LEU H . 17236 1 252 . 1 1 57 57 LEU C C 13 176.1 0.3 . 1 . . . . 58 LEU C . 17236 1 253 . 1 1 57 57 LEU CA C 13 55.5 0.3 . 1 . . . . 58 LEU CA . 17236 1 254 . 1 1 57 57 LEU CB C 13 38.6 0.3 . 1 . . . . 58 LEU CB . 17236 1 255 . 1 1 57 57 LEU N N 15 118.5 0.3 . 1 . . . . 58 LEU N . 17236 1 256 . 1 1 58 58 ALA H H 1 8.13 0.02 . 1 . . . . 59 ALA H . 17236 1 257 . 1 1 58 58 ALA C C 13 178.4 0.3 . 1 . . . . 59 ALA C . 17236 1 258 . 1 1 58 58 ALA CA C 13 52.8 0.3 . 1 . . . . 59 ALA CA . 17236 1 259 . 1 1 58 58 ALA CB C 13 15.2 0.3 . 1 . . . . 59 ALA CB . 17236 1 260 . 1 1 58 58 ALA N N 15 124.3 0.3 . 1 . . . . 59 ALA N . 17236 1 261 . 1 1 59 59 GLU H H 1 8.19 0.02 . 1 . . . . 60 GLU H . 17236 1 262 . 1 1 59 59 GLU C C 13 177.5 0.3 . 1 . . . . 60 GLU C . 17236 1 263 . 1 1 59 59 GLU CA C 13 53.2 0.3 . 1 . . . . 60 GLU CA . 17236 1 264 . 1 1 59 59 GLU CB C 13 26.5 0.3 . 1 . . . . 60 GLU CB . 17236 1 265 . 1 1 59 59 GLU N N 15 115.5 0.3 . 1 . . . . 60 GLU N . 17236 1 266 . 1 1 60 60 LYS H H 1 8.00 0.02 . 1 . . . . 61 LYS H . 17236 1 267 . 1 1 60 60 LYS C C 13 173.1 0.3 . 1 . . . . 61 LYS C . 17236 1 268 . 1 1 60 60 LYS CA C 13 53.6 0.3 . 1 . . . . 61 LYS CA . 17236 1 269 . 1 1 60 60 LYS CB C 13 25.8 0.3 . 1 . . . . 61 LYS CB . 17236 1 270 . 1 1 60 60 LYS N N 15 116.2 0.3 . 1 . . . . 61 LYS N . 17236 1 271 . 1 1 61 61 ASP H H 1 8.25 0.02 . 1 . . . . 62 ASP H . 17236 1 272 . 1 1 61 61 ASP C C 13 173.4 0.3 . 1 . . . . 62 ASP C . 17236 1 273 . 1 1 61 61 ASP CA C 13 50.8 0.3 . 1 . . . . 62 ASP CA . 17236 1 274 . 1 1 61 61 ASP CB C 13 40.4 0.3 . 1 . . . . 62 ASP CB . 17236 1 275 . 1 1 61 61 ASP N N 15 121.5 0.3 . 1 . . . . 62 ASP N . 17236 1 276 . 1 1 63 63 LEU H H 1 7.74 0.02 . 1 . . . . 64 LEU H . 17236 1 277 . 1 1 63 63 LEU C C 13 176.6 0.3 . 1 . . . . 64 LEU C . 17236 1 278 . 1 1 63 63 LEU CA C 13 54.7 0.3 . 1 . . . . 64 LEU CA . 17236 1 279 . 1 1 63 63 LEU CB C 13 37.8 0.3 . 1 . . . . 64 LEU CB . 17236 1 280 . 1 1 63 63 LEU N N 15 120.2 0.3 . 1 . . . . 64 LEU N . 17236 1 281 . 1 1 64 64 ALA H H 1 9.21 0.02 . 1 . . . . 65 ALA H . 17236 1 282 . 1 1 64 64 ALA C C 13 175.6 0.3 . 1 . . . . 65 ALA C . 17236 1 283 . 1 1 64 64 ALA CA C 13 53.3 0.3 . 1 . . . . 65 ALA CA . 17236 1 284 . 1 1 64 64 ALA CB C 13 16.9 0.3 . 1 . . . . 65 ALA CB . 17236 1 285 . 1 1 64 64 ALA N N 15 122.7 0.3 . 1 . . . . 65 ALA N . 17236 1 286 . 1 1 65 65 MET H H 1 8.55 0.02 . 1 . . . . 66 MET H . 17236 1 287 . 1 1 65 65 MET C C 13 176.9 0.3 . 1 . . . . 66 MET C . 17236 1 288 . 1 1 65 65 MET CA C 13 53.7 0.3 . 1 . . . . 66 MET CA . 17236 1 289 . 1 1 65 65 MET CB C 13 27.7 0.3 . 1 . . . . 66 MET CB . 17236 1 290 . 1 1 65 65 MET N N 15 112.3 0.3 . 1 . . . . 66 MET N . 17236 1 291 . 1 1 66 66 LEU H H 1 7.57 0.02 . 1 . . . . 67 LEU H . 17236 1 292 . 1 1 66 66 LEU C C 13 176.7 0.3 . 1 . . . . 67 LEU C . 17236 1 293 . 1 1 66 66 LEU CA C 13 55.6 0.3 . 1 . . . . 67 LEU CA . 17236 1 294 . 1 1 66 66 LEU CB C 13 39.2 0.3 . 1 . . . . 67 LEU CB . 17236 1 295 . 1 1 66 66 LEU N N 15 123.1 0.3 . 1 . . . . 67 LEU N . 17236 1 296 . 1 1 67 67 LEU H H 1 7.76 0.02 . 1 . . . . 68 LEU H . 17236 1 297 . 1 1 67 67 LEU C C 13 177.4 0.3 . 1 . . . . 68 LEU C . 17236 1 298 . 1 1 67 67 LEU CA C 13 54.3 0.3 . 1 . . . . 68 LEU CA . 17236 1 299 . 1 1 67 67 LEU CB C 13 40.1 0.3 . 1 . . . . 68 LEU CB . 17236 1 300 . 1 1 67 67 LEU N N 15 118.9 0.3 . 1 . . . . 68 LEU N . 17236 1 301 . 1 1 68 68 PHE H H 1 8.56 0.02 . 1 . . . . 69 PHE H . 17236 1 302 . 1 1 68 68 PHE C C 13 175.0 0.3 . 1 . . . . 69 PHE C . 17236 1 303 . 1 1 68 68 PHE CA C 13 57.4 0.3 . 1 . . . . 69 PHE CA . 17236 1 304 . 1 1 68 68 PHE CB C 13 37.4 0.3 . 1 . . . . 69 PHE CB . 17236 1 305 . 1 1 68 68 PHE N N 15 121.3 0.3 . 1 . . . . 69 PHE N . 17236 1 306 . 1 1 69 69 GLU H H 1 7.68 0.02 . 1 . . . . 70 GLU H . 17236 1 307 . 1 1 69 69 GLU C C 13 174.5 0.3 . 1 . . . . 70 GLU C . 17236 1 308 . 1 1 69 69 GLU CA C 13 55.5 0.3 . 1 . . . . 70 GLU CA . 17236 1 309 . 1 1 69 69 GLU CB C 13 26.3 0.3 . 1 . . . . 70 GLU CB . 17236 1 310 . 1 1 69 69 GLU N N 15 116.4 0.3 . 1 . . . . 70 GLU N . 17236 1 311 . 1 1 70 70 GLN H H 1 7.48 0.02 . 1 . . . . 71 GLN H . 17236 1 312 . 1 1 70 70 GLN C C 13 176.5 0.3 . 1 . . . . 71 GLN C . 17236 1 313 . 1 1 70 70 GLN CA C 13 55.1 0.3 . 1 . . . . 71 GLN CA . 17236 1 314 . 1 1 70 70 GLN CB C 13 25.1 0.3 . 1 . . . . 71 GLN CB . 17236 1 315 . 1 1 70 70 GLN N N 15 119.3 0.3 . 1 . . . . 71 GLN N . 17236 1 316 . 1 1 71 71 TYR H H 1 7.08 0.02 . 1 . . . . 72 TYR H . 17236 1 317 . 1 1 71 71 TYR C C 13 173.9 0.3 . 1 . . . . 72 TYR C . 17236 1 318 . 1 1 71 71 TYR CA C 13 55.6 0.3 . 1 . . . . 72 TYR CA . 17236 1 319 . 1 1 71 71 TYR CB C 13 31.6 0.3 . 1 . . . . 72 TYR CB . 17236 1 320 . 1 1 71 71 TYR N N 15 116.3 0.3 . 1 . . . . 72 TYR N . 17236 1 321 . 1 1 72 72 ASN H H 1 6.88 0.02 . 1 . . . . 73 ASN H . 17236 1 322 . 1 1 72 72 ASN C C 13 172.3 0.3 . 1 . . . . 73 ASN C . 17236 1 323 . 1 1 72 72 ASN CA C 13 51.4 0.3 . 1 . . . . 73 ASN CA . 17236 1 324 . 1 1 72 72 ASN CB C 13 33.7 0.3 . 1 . . . . 73 ASN CB . 17236 1 325 . 1 1 72 72 ASN N N 15 111.9 0.3 . 1 . . . . 73 ASN N . 17236 1 326 . 1 1 73 73 ARG H H 1 7.74 0.02 . 1 . . . . 74 ARG H . 17236 1 327 . 1 1 73 73 ARG C C 13 170.2 0.3 . 1 . . . . 74 ARG C . 17236 1 328 . 1 1 73 73 ARG CA C 13 53.0 0.3 . 1 . . . . 74 ARG CA . 17236 1 329 . 1 1 73 73 ARG CB C 13 22.5 0.3 . 1 . . . . 74 ARG CB . 17236 1 330 . 1 1 73 73 ARG N N 15 109.4 0.3 . 1 . . . . 74 ARG N . 17236 1 331 . 1 1 74 74 LEU H H 1 5.61 0.02 . 1 . . . . 75 LEU H . 17236 1 332 . 1 1 74 74 LEU C C 13 170.9 0.3 . 1 . . . . 75 LEU C . 17236 1 333 . 1 1 74 74 LEU CA C 13 49.6 0.3 . 1 . . . . 75 LEU CA . 17236 1 334 . 1 1 74 74 LEU N N 15 117.7 0.3 . 1 . . . . 75 LEU N . 17236 1 335 . 1 1 75 75 ALA H H 1 8.60 0.02 . 1 . . . . 76 ALA H . 17236 1 336 . 1 1 75 75 ALA C C 13 172.0 0.3 . 1 . . . . 76 ALA C . 17236 1 337 . 1 1 75 75 ALA CA C 13 48.7 0.3 . 1 . . . . 76 ALA CA . 17236 1 338 . 1 1 75 75 ALA CB C 13 15.5 0.3 . 1 . . . . 76 ALA CB . 17236 1 339 . 1 1 75 75 ALA N N 15 132.1 0.3 . 1 . . . . 76 ALA N . 17236 1 340 . 1 1 76 76 MET H H 1 6.84 0.02 . 1 . . . . 77 MET H . 17236 1 341 . 1 1 76 76 MET C C 13 171.4 0.3 . 1 . . . . 77 MET C . 17236 1 342 . 1 1 76 76 MET CA C 13 63.6 0.3 . 1 . . . . 77 MET CA . 17236 1 343 . 1 1 76 76 MET CB C 13 13.7 0.3 . 1 . . . . 77 MET CB . 17236 1 344 . 1 1 76 76 MET N N 15 124.9 0.3 . 1 . . . . 77 MET N . 17236 1 345 . 1 1 78 78 ASN H H 1 8.92 0.02 . 1 . . . . 79 ASN H . 17236 1 346 . 1 1 78 78 ASN C C 13 173.5 0.3 . 1 . . . . 79 ASN C . 17236 1 347 . 1 1 78 78 ASN CA C 13 51.1 0.3 . 1 . . . . 79 ASN CA . 17236 1 348 . 1 1 78 78 ASN CB C 13 35.3 0.3 . 1 . . . . 79 ASN CB . 17236 1 349 . 1 1 78 78 ASN N N 15 118.7 0.3 . 1 . . . . 79 ASN N . 17236 1 350 . 1 1 79 79 MET H H 1 8.64 0.02 . 1 . . . . 80 MET H . 17236 1 351 . 1 1 79 79 MET C C 13 173.4 0.3 . 1 . . . . 80 MET C . 17236 1 352 . 1 1 79 79 MET CA C 13 51.9 0.3 . 1 . . . . 80 MET CA . 17236 1 353 . 1 1 79 79 MET CB C 13 27.6 0.3 . 1 . . . . 80 MET CB . 17236 1 354 . 1 1 79 79 MET N N 15 127.3 0.3 . 1 . . . . 80 MET N . 17236 1 355 . 1 1 80 80 ARG H H 1 9.29 0.02 . 1 . . . . 81 ARG H . 17236 1 356 . 1 1 80 80 ARG C C 13 171.5 0.3 . 1 . . . . 81 ARG C . 17236 1 357 . 1 1 80 80 ARG CA C 13 53.3 0.3 . 1 . . . . 81 ARG CA . 17236 1 358 . 1 1 80 80 ARG CB C 13 23.4 0.3 . 1 . . . . 81 ARG CB . 17236 1 359 . 1 1 80 80 ARG N N 15 118.4 0.3 . 1 . . . . 81 ARG N . 17236 1 360 . 1 1 81 81 LEU H H 1 8.39 0.02 . 1 . . . . 82 LEU H . 17236 1 361 . 1 1 81 81 LEU C C 13 173.6 0.3 . 1 . . . . 82 LEU C . 17236 1 362 . 1 1 81 81 LEU CA C 13 51.9 0.3 . 1 . . . . 82 LEU CA . 17236 1 363 . 1 1 81 81 LEU CB C 13 40.3 0.3 . 1 . . . . 82 LEU CB . 17236 1 364 . 1 1 81 81 LEU N N 15 118.7 0.3 . 1 . . . . 82 LEU N . 17236 1 365 . 1 1 82 82 GLY H H 1 8.57 0.02 . 1 . . . . 83 GLY H . 17236 1 366 . 1 1 82 82 GLY C C 13 175.3 0.3 . 1 . . . . 83 GLY C . 17236 1 367 . 1 1 82 82 GLY CA C 13 40.6 0.3 . 1 . . . . 83 GLY CA . 17236 1 368 . 1 1 82 82 GLY N N 15 109.7 0.3 . 1 . . . . 83 GLY N . 17236 1 369 . 1 1 83 83 ASP H H 1 8.61 0.02 . 1 . . . . 84 ASP H . 17236 1 370 . 1 1 83 83 ASP C C 13 171.6 0.3 . 1 . . . . 84 ASP C . 17236 1 371 . 1 1 83 83 ASP CA C 13 55.7 0.3 . 1 . . . . 84 ASP CA . 17236 1 372 . 1 1 83 83 ASP N N 15 120.2 0.3 . 1 . . . . 84 ASP N . 17236 1 373 . 1 1 86 86 VAL H H 1 8.52 0.02 . 1 . . . . 87 VAL H . 17236 1 374 . 1 1 86 86 VAL C C 13 177.1 0.3 . 1 . . . . 87 VAL C . 17236 1 375 . 1 1 86 86 VAL CA C 13 55.0 0.3 . 1 . . . . 87 VAL CA . 17236 1 376 . 1 1 86 86 VAL CB C 13 26.6 0.3 . 1 . . . . 87 VAL CB . 17236 1 377 . 1 1 86 86 VAL N N 15 120.2 0.3 . 1 . . . . 87 VAL N . 17236 1 378 . 1 1 87 87 SER H H 1 7.20 0.02 . 1 . . . . 88 SER H . 17236 1 379 . 1 1 87 87 SER C C 13 175.7 0.3 . 1 . . . . 88 SER C . 17236 1 380 . 1 1 87 87 SER CA C 13 64.1 0.3 . 1 . . . . 88 SER CA . 17236 1 381 . 1 1 87 87 SER CB C 13 66.0 0.3 . 1 . . . . 88 SER CB . 17236 1 382 . 1 1 87 87 SER N N 15 114.5 0.3 . 1 . . . . 88 SER N . 17236 1 383 . 1 1 88 88 ALA H H 1 7.92 0.02 . 1 . . . . 89 ALA H . 17236 1 384 . 1 1 88 88 ALA C C 13 172.6 0.3 . 1 . . . . 89 ALA C . 17236 1 385 . 1 1 88 88 ALA CA C 13 51.9 0.3 . 1 . . . . 89 ALA CA . 17236 1 386 . 1 1 88 88 ALA CB C 13 14.7 0.3 . 1 . . . . 89 ALA CB . 17236 1 387 . 1 1 88 88 ALA N N 15 122.6 0.3 . 1 . . . . 89 ALA N . 17236 1 388 . 1 1 89 89 LEU H H 1 7.90 0.02 . 1 . . . . 90 LEU H . 17236 1 389 . 1 1 89 89 LEU C C 13 177.8 0.3 . 1 . . . . 90 LEU C . 17236 1 390 . 1 1 89 89 LEU CA C 13 54.9 0.3 . 1 . . . . 90 LEU CA . 17236 1 391 . 1 1 89 89 LEU N N 15 120.4 0.3 . 1 . . . . 90 LEU N . 17236 1 392 . 1 1 90 90 ILE H H 1 7.90 0.02 . 1 . . . . 91 ILE H . 17236 1 393 . 1 1 90 90 ILE HA H 1 2.87 0.02 . 1 . . . . 91 ILE HA . 17236 1 394 . 1 1 90 90 ILE HB H 1 1.54 0.02 . 1 . . . . 91 ILE HB . 17236 1 395 . 1 1 90 90 ILE HG12 H 1 0.38 0.02 . 2 . . . . 91 ILE HG12 . 17236 1 396 . 1 1 90 90 ILE HG13 H 1 1.20 0.02 . 2 . . . . 91 ILE HG13 . 17236 1 397 . 1 1 90 90 ILE C C 13 175.0 0.3 . 1 . . . . 91 ILE C . 17236 1 398 . 1 1 90 90 ILE CA C 13 62.9 0.3 . 1 . . . . 91 ILE CA . 17236 1 399 . 1 1 90 90 ILE CB C 13 34.0 0.3 . 1 . . . . 91 ILE CB . 17236 1 400 . 1 1 90 90 ILE CD1 C 13 10.0 0.3 . 1 . . . . 91 ILE CD1 . 17236 1 401 . 1 1 90 90 ILE CG1 C 13 26.6 0.3 . 1 . . . . 91 ILE CG1 . 17236 1 402 . 1 1 90 90 ILE CG2 C 13 13.6 0.3 . 1 . . . . 91 ILE CG2 . 17236 1 403 . 1 1 90 90 ILE N N 15 119.5 0.3 . 1 . . . . 91 ILE N . 17236 1 404 . 1 1 91 91 SER H H 1 7.64 0.02 . 1 . . . . 92 SER H . 17236 1 405 . 1 1 91 91 SER C C 13 174.6 0.3 . 1 . . . . 92 SER C . 17236 1 406 . 1 1 91 91 SER CA C 13 59.6 0.3 . 1 . . . . 92 SER CA . 17236 1 407 . 1 1 91 91 SER N N 15 113.7 0.3 . 1 . . . . 92 SER N . 17236 1 408 . 1 1 92 92 TYR H H 1 7.61 0.02 . 1 . . . . 93 TYR H . 17236 1 409 . 1 1 92 92 TYR C C 13 173.7 0.3 . 1 . . . . 93 TYR C . 17236 1 410 . 1 1 92 92 TYR CA C 13 57.9 0.3 . 1 . . . . 93 TYR CA . 17236 1 411 . 1 1 92 92 TYR CB C 13 35.0 0.3 . 1 . . . . 93 TYR CB . 17236 1 412 . 1 1 92 92 TYR N N 15 121.9 0.3 . 1 . . . . 93 TYR N . 17236 1 413 . 1 1 93 93 LEU H H 1 7.94 0.02 . 1 . . . . 94 LEU H . 17236 1 414 . 1 1 93 93 LEU C C 13 172.9 0.3 . 1 . . . . 94 LEU C . 17236 1 415 . 1 1 93 93 LEU CA C 13 54.9 0.3 . 1 . . . . 94 LEU CA . 17236 1 416 . 1 1 93 93 LEU CB C 13 38.1 0.3 . 1 . . . . 94 LEU CB . 17236 1 417 . 1 1 93 93 LEU N N 15 118.5 0.3 . 1 . . . . 94 LEU N . 17236 1 418 . 1 1 94 94 GLU H H 1 8.17 0.02 . 1 . . . . 95 GLU H . 17236 1 419 . 1 1 94 94 GLU C C 13 177.5 0.3 . 1 . . . . 95 GLU C . 17236 1 420 . 1 1 94 94 GLU CA C 13 56.4 0.3 . 1 . . . . 95 GLU CA . 17236 1 421 . 1 1 94 94 GLU CB C 13 25.9 0.3 . 1 . . . . 95 GLU CB . 17236 1 422 . 1 1 94 94 GLU N N 15 122.4 0.3 . 1 . . . . 95 GLU N . 17236 1 423 . 1 1 95 95 GLU H H 1 8.21 0.02 . 1 . . . . 96 GLU H . 17236 1 424 . 1 1 95 95 GLU C C 13 175.2 0.3 . 1 . . . . 96 GLU C . 17236 1 425 . 1 1 95 95 GLU CA C 13 56.6 0.3 . 1 . . . . 96 GLU CA . 17236 1 426 . 1 1 95 95 GLU N N 15 121.7 0.3 . 1 . . . . 96 GLU N . 17236 1 427 . 1 1 99 99 ARG H H 1 7.85 0.02 . 1 . . . . 100 ARG H . 17236 1 428 . 1 1 99 99 ARG C C 13 177.3 0.3 . 1 . . . . 100 ARG C . 17236 1 429 . 1 1 99 99 ARG CA C 13 56.2 0.3 . 1 . . . . 100 ARG CA . 17236 1 430 . 1 1 99 99 ARG CB C 13 28.2 0.3 . 1 . . . . 100 ARG CB . 17236 1 431 . 1 1 99 99 ARG N N 15 118.2 0.3 . 1 . . . . 100 ARG N . 17236 1 432 . 1 1 100 100 LEU H H 1 7.59 0.02 . 1 . . . . 101 LEU H . 17236 1 433 . 1 1 100 100 LEU HA H 1 4.21 0.02 . 1 . . . . 101 LEU HA . 17236 1 434 . 1 1 100 100 LEU C C 13 175.7 0.3 . 1 . . . . 101 LEU C . 17236 1 435 . 1 1 100 100 LEU CA C 13 53.0 0.3 . 1 . . . . 101 LEU CA . 17236 1 436 . 1 1 100 100 LEU CB C 13 39.9 0.3 . 1 . . . . 101 LEU CB . 17236 1 437 . 1 1 100 100 LEU CD1 C 13 22.7 0.3 . 1 . . . . 101 LEU CD1 . 17236 1 438 . 1 1 100 100 LEU N N 15 117.7 0.3 . 1 . . . . 101 LEU N . 17236 1 439 . 1 1 101 101 GLN H H 1 7.74 0.02 . 1 . . . . 102 GLN H . 17236 1 440 . 1 1 101 101 GLN HA H 1 4.23 0.02 . 1 . . . . 102 GLN HA . 17236 1 441 . 1 1 101 101 GLN HB3 H 1 1.97 0.02 . 1 . . . . 102 GLN HB3 . 17236 1 442 . 1 1 101 101 GLN HG3 H 1 2.22 0.02 . 1 . . . . 102 GLN HG3 . 17236 1 443 . 1 1 101 101 GLN C C 13 175.2 0.3 . 1 . . . . 102 GLN C . 17236 1 444 . 1 1 101 101 GLN CA C 13 53.2 0.3 . 1 . . . . 102 GLN CA . 17236 1 445 . 1 1 101 101 GLN CB C 13 26.1 0.3 . 1 . . . . 102 GLN CB . 17236 1 446 . 1 1 101 101 GLN CG C 13 31.1 0.3 . 1 . . . . 102 GLN CG . 17236 1 447 . 1 1 101 101 GLN N N 15 118.7 0.3 . 1 . . . . 102 GLN N . 17236 1 448 . 1 1 102 102 THR H H 1 7.80 0.02 . 1 . . . . 103 THR H . 17236 1 449 . 1 1 102 102 THR C C 13 173.0 0.3 . 1 . . . . 103 THR C . 17236 1 450 . 1 1 102 102 THR CA C 13 57.7 0.3 . 1 . . . . 103 THR CA . 17236 1 451 . 1 1 102 102 THR CB C 13 67.0 0.3 . 1 . . . . 103 THR CB . 17236 1 452 . 1 1 102 102 THR N N 15 118.1 0.3 . 1 . . . . 103 THR N . 17236 1 453 . 1 1 103 103 PRO HA H 1 4.35 0.02 . 1 . . . . 104 PRO HA . 17236 1 454 . 1 1 103 103 PRO HB2 H 1 2.17 0.02 . 2 . . . . 104 PRO HB2 . 17236 1 455 . 1 1 103 103 PRO HB3 H 1 1.75 0.02 . 2 . . . . 104 PRO HB3 . 17236 1 456 . 1 1 103 103 PRO HD2 H 1 3.76 0.02 . 2 . . . . 104 PRO HD2 . 17236 1 457 . 1 1 103 103 PRO HD3 H 1 3.57 0.02 . 2 . . . . 104 PRO HD3 . 17236 1 458 . 1 1 103 103 PRO CA C 13 60.5 0.3 . 1 . . . . 104 PRO CA . 17236 1 459 . 1 1 103 103 PRO CB C 13 29.2 0.3 . 1 . . . . 104 PRO CB . 17236 1 460 . 1 1 103 103 PRO CD C 13 48.2 0.3 . 1 . . . . 104 PRO CD . 17236 1 461 . 1 1 103 103 PRO CG C 13 24.3 0.3 . 1 . . . . 104 PRO CG . 17236 1 462 . 1 1 104 104 VAL H H 1 8.21 0.02 . 1 . . . . 105 VAL H . 17236 1 463 . 1 1 104 104 VAL HA H 1 4.04 0.02 . 1 . . . . 105 VAL HA . 17236 1 464 . 1 1 104 104 VAL HB H 1 1.95 0.02 . 1 . . . . 105 VAL HB . 17236 1 465 . 1 1 104 104 VAL C C 13 174.2 0.3 . 1 . . . . 105 VAL C . 17236 1 466 . 1 1 104 104 VAL CA C 13 59.7 0.3 . 1 . . . . 105 VAL CA . 17236 1 467 . 1 1 104 104 VAL CB C 13 29.7 0.3 . 1 . . . . 105 VAL CB . 17236 1 468 . 1 1 104 104 VAL CG1 C 13 18.4 0.3 . 1 . . . . 105 VAL CG1 . 17236 1 469 . 1 1 104 104 VAL CG2 C 13 17.6 0.3 . 1 . . . . 105 VAL CG2 . 17236 1 470 . 1 1 104 104 VAL N N 15 120.5 0.3 . 1 . . . . 105 VAL N . 17236 1 471 . 1 1 105 105 THR H H 1 8.10 0.02 . 1 . . . . 106 THR H . 17236 1 472 . 1 1 105 105 THR HA H 1 4.14 0.02 . 1 . . . . 106 THR HA . 17236 1 473 . 1 1 105 105 THR C C 13 173.9 0.3 . 1 . . . . 106 THR C . 17236 1 474 . 1 1 105 105 THR CA C 13 59.2 0.3 . 1 . . . . 106 THR CA . 17236 1 475 . 1 1 105 105 THR CB C 13 67.2 0.3 . 1 . . . . 106 THR CB . 17236 1 476 . 1 1 105 105 THR N N 15 117.4 0.3 . 1 . . . . 106 THR N . 17236 1 477 . 1 1 106 106 ASN H H 1 8.36 0.02 . 1 . . . . 107 ASN H . 17236 1 478 . 1 1 106 106 ASN C C 13 171.4 0.3 . 1 . . . . 107 ASN C . 17236 1 479 . 1 1 106 106 ASN CA C 13 50.4 0.3 . 1 . . . . 107 ASN CA . 17236 1 480 . 1 1 106 106 ASN CB C 13 35.9 0.3 . 1 . . . . 107 ASN CB . 17236 1 481 . 1 1 106 106 ASN N N 15 121.2 0.3 . 1 . . . . 107 ASN N . 17236 1 482 . 1 1 107 107 ARG H H 1 8.27 0.02 . 1 . . . . 108 ARG H . 17236 1 483 . 1 1 107 107 ARG HA H 1 4.17 0.02 . 1 . . . . 108 ARG HA . 17236 1 484 . 1 1 107 107 ARG HB2 H 1 1.77 0.02 . 2 . . . . 108 ARG HB2 . 17236 1 485 . 1 1 107 107 ARG HB3 H 1 1.63 0.02 . 2 . . . . 108 ARG HB3 . 17236 1 486 . 1 1 107 107 ARG HD3 H 1 3.06 0.02 . 1 . . . . 108 ARG HD3 . 17236 1 487 . 1 1 107 107 ARG C C 13 172.2 0.3 . 1 . . . . 108 ARG C . 17236 1 488 . 1 1 107 107 ARG CA C 13 53.6 0.3 . 1 . . . . 108 ARG CA . 17236 1 489 . 1 1 107 107 ARG CB C 13 27.7 0.3 . 1 . . . . 108 ARG CB . 17236 1 490 . 1 1 107 107 ARG CD C 13 40.4 0.3 . 1 . . . . 108 ARG CD . 17236 1 491 . 1 1 107 107 ARG CG C 13 23.6 0.3 . 1 . . . . 108 ARG CG . 17236 1 492 . 1 1 107 107 ARG N N 15 121.5 0.3 . 1 . . . . 108 ARG N . 17236 1 493 . 1 1 108 108 GLY H H 1 8.31 0.02 . 1 . . . . 109 GLY H . 17236 1 494 . 1 1 108 108 GLY CA C 13 42.4 0.3 . 1 . . . . 109 GLY CA . 17236 1 495 . 1 1 108 108 GLY N N 15 109.6 0.3 . 1 . . . . 109 GLY N . 17236 1 496 . 1 1 109 109 ILE H H 1 7.78 0.02 . 1 . . . . 110 ILE H . 17236 1 497 . 1 1 109 109 ILE HA H 1 4.37 0.02 . 1 . . . . 110 ILE HA . 17236 1 498 . 1 1 109 109 ILE HB H 1 1.75 0.02 . 1 . . . . 110 ILE HB . 17236 1 499 . 1 1 109 109 ILE HG12 H 1 0.98 0.02 . 2 . . . . 110 ILE HG12 . 17236 1 500 . 1 1 109 109 ILE HG13 H 1 1.36 0.02 . 2 . . . . 110 ILE HG13 . 17236 1 501 . 1 1 109 109 ILE C C 13 170.7 0.3 . 1 . . . . 110 ILE C . 17236 1 502 . 1 1 109 109 ILE CA C 13 55.9 0.3 . 1 . . . . 110 ILE CA . 17236 1 503 . 1 1 109 109 ILE CB C 13 35.9 0.3 . 1 . . . . 110 ILE CB . 17236 1 504 . 1 1 109 109 ILE CD1 C 13 9.7 0.3 . 1 . . . . 110 ILE CD1 . 17236 1 505 . 1 1 109 109 ILE CG1 C 13 23.7 0.3 . 1 . . . . 110 ILE CG1 . 17236 1 506 . 1 1 109 109 ILE CG2 C 13 14.1 0.3 . 1 . . . . 110 ILE CG2 . 17236 1 507 . 1 1 109 109 ILE N N 15 121.6 0.3 . 1 . . . . 110 ILE N . 17236 1 stop_ save_