################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34709 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 34709 1 2 '2D 1H-13C HSQC' . . . 34709 1 3 '3D HNCO' . . . 34709 1 4 '3D HCACO' . . . 34709 1 5 '3D HNCA' . . . 34709 1 6 '3D HNCACB' . . . 34709 1 7 '3D CBCA(CO)NH' . . . 34709 1 8 '3D HCCH-TOCSY' . . . 34709 1 9 '3D 1H-15N NOESY' . . . 34709 1 10 '3D 1H-13C NOESY' . . . 34709 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 VAL HA H 1 4.160 0.012 . 1 . . . . A 17 VAL HA . 34709 1 2 . 1 . 1 1 1 VAL HG11 H 1 0.780 . . 1 . . . . A 17 VAL HG11 . 34709 1 3 . 1 . 1 1 1 VAL HG12 H 1 0.780 . . 1 . . . . A 17 VAL HG12 . 34709 1 4 . 1 . 1 1 1 VAL HG13 H 1 0.780 . . 1 . . . . A 17 VAL HG13 . 34709 1 5 . 1 . 1 1 1 VAL CA C 13 62.390 . . 1 . . . . A 17 VAL CA . 34709 1 6 . 1 . 1 1 1 VAL CB C 13 32.693 . . 1 . . . . A 17 VAL CB . 34709 1 7 . 1 . 1 2 2 SER H H 1 8.480 0.001 . 1 . . . . A 18 SER H . 34709 1 8 . 1 . 1 2 2 SER HA H 1 4.572 0.044 . 1 . . . . A 18 SER HA . 34709 1 9 . 1 . 1 2 2 SER CA C 13 58.300 0.07 . 1 . . . . A 18 SER CA . 34709 1 10 . 1 . 1 2 2 SER CB C 13 64.062 0.058 . 1 . . . . A 18 SER CB . 34709 1 11 . 1 . 1 2 2 SER N N 15 120.413 0.021 . 1 . . . . A 18 SER N . 34709 1 12 . 1 . 1 3 3 LYS H H 1 8.574 0.001 . 1 . . . . A 19 LYS H . 34709 1 13 . 1 . 1 3 3 LYS HA H 1 4.361 0.006 . 1 . . . . A 19 LYS HA . 34709 1 14 . 1 . 1 3 3 LYS HB2 H 1 1.837 0.002 . 2 . . . . A 19 LYS HB2 . 34709 1 15 . 1 . 1 3 3 LYS HB3 H 1 1.749 0.006 . 2 . . . . A 19 LYS HB3 . 34709 1 16 . 1 . 1 3 3 LYS HG2 H 1 1.422 0.011 . 1 . . . . A 19 LYS HG2 . 34709 1 17 . 1 . 1 3 3 LYS HD2 H 1 1.663 0.006 . 2 . . . . A 19 LYS HD2 . 34709 1 18 . 1 . 1 3 3 LYS HD3 H 1 1.410 0.0 . 2 . . . . A 19 LYS HD3 . 34709 1 19 . 1 . 1 3 3 LYS HE2 H 1 2.961 0.016 . 1 . . . . A 19 LYS HE2 . 34709 1 20 . 1 . 1 3 3 LYS C C 13 178.840 . . 1 . . . . A 19 LYS C . 34709 1 21 . 1 . 1 3 3 LYS CA C 13 56.475 0.131 . 1 . . . . A 19 LYS CA . 34709 1 22 . 1 . 1 3 3 LYS CB C 13 33.004 0.06 . 1 . . . . A 19 LYS CB . 34709 1 23 . 1 . 1 3 3 LYS CG C 13 24.795 0.045 . 1 . . . . A 19 LYS CG . 34709 1 24 . 1 . 1 3 3 LYS CD C 13 29.076 0.062 . 1 . . . . A 19 LYS CD . 34709 1 25 . 1 . 1 3 3 LYS CE C 13 42.161 0.03 . 1 . . . . A 19 LYS CE . 34709 1 26 . 1 . 1 3 3 LYS N N 15 124.022 0.0 . 1 . . . . A 19 LYS N . 34709 1 27 . 1 . 1 4 4 GLU H H 1 8.430 0.006 . 1 . . . . A 20 GLU H . 34709 1 28 . 1 . 1 4 4 GLU HB2 H 1 2.073 . . 1 . . . . A 20 GLU HB2 . 34709 1 29 . 1 . 1 4 4 GLU HG2 H 1 2.462 0.039 . 1 . . . . A 20 GLU HG2 . 34709 1 30 . 1 . 1 4 4 GLU C C 13 179.194 . . 1 . . . . A 20 GLU C . 34709 1 31 . 1 . 1 4 4 GLU CA C 13 56.779 0.1 . 1 . . . . A 20 GLU CA . 34709 1 32 . 1 . 1 4 4 GLU CB C 13 30.149 0.091 . 1 . . . . A 20 GLU CB . 34709 1 33 . 1 . 1 4 4 GLU N N 15 123.414 0.015 . 1 . . . . A 20 GLU N . 34709 1 34 . 1 . 1 5 5 THR H H 1 8.148 0.008 . 1 . . . . A 21 THR H . 34709 1 35 . 1 . 1 5 5 THR HA H 1 4.042 . . 1 . . . . A 21 THR HA . 34709 1 36 . 1 . 1 5 5 THR HB H 1 4.219 0.026 . 1 . . . . A 21 THR HB . 34709 1 37 . 1 . 1 5 5 THR HG1 H 1 0.963 . . 1 . . . . A 21 THR HG1 . 34709 1 38 . 1 . 1 5 5 THR HG21 H 1 1.188 0.002 . 1 . . . . A 21 THR HG21 . 34709 1 39 . 1 . 1 5 5 THR HG22 H 1 1.188 0.002 . 1 . . . . A 21 THR HG22 . 34709 1 40 . 1 . 1 5 5 THR HG23 H 1 1.188 0.002 . 1 . . . . A 21 THR HG23 . 34709 1 41 . 1 . 1 5 5 THR C C 13 175.282 . . 1 . . . . A 21 THR C . 34709 1 42 . 1 . 1 5 5 THR CA C 13 62.139 0.051 . 1 . . . . A 21 THR CA . 34709 1 43 . 1 . 1 5 5 THR CB C 13 69.785 0.023 . 1 . . . . A 21 THR CB . 34709 1 44 . 1 . 1 5 5 THR CG2 C 13 21.677 0.079 . 1 . . . . A 21 THR CG2 . 34709 1 45 . 1 . 1 5 5 THR N N 15 115.463 0.0 . 1 . . . . A 21 THR N . 34709 1 46 . 1 . 1 6 6 ALA H H 1 8.304 0.002 . 1 . . . . A 22 ALA H . 34709 1 47 . 1 . 1 6 6 ALA HA H 1 4.358 0.013 . 1 . . . . A 22 ALA HA . 34709 1 48 . 1 . 1 6 6 ALA HB1 H 1 1.796 0.023 . 1 . . . . A 22 ALA HB1 . 34709 1 49 . 1 . 1 6 6 ALA HB2 H 1 1.796 0.023 . 1 . . . . A 22 ALA HB2 . 34709 1 50 . 1 . 1 6 6 ALA HB3 H 1 1.796 0.023 . 1 . . . . A 22 ALA HB3 . 34709 1 51 . 1 . 1 6 6 ALA CA C 13 52.751 0.064 . 1 . . . . A 22 ALA CA . 34709 1 52 . 1 . 1 6 6 ALA CB C 13 19.248 0.05 . 1 . . . . A 22 ALA CB . 34709 1 53 . 1 . 1 6 6 ALA N N 15 126.550 0.0 . 1 . . . . A 22 ALA N . 34709 1 54 . 1 . 1 7 7 THR H H 1 8.087 0.001 . 1 . . . . A 23 THR H . 34709 1 55 . 1 . 1 7 7 THR HB H 1 4.264 . . 1 . . . . A 23 THR HB . 34709 1 56 . 1 . 1 7 7 THR HG21 H 1 1.217 0.02 . 1 . . . . A 23 THR HG21 . 34709 1 57 . 1 . 1 7 7 THR HG22 H 1 1.217 0.02 . 1 . . . . A 23 THR HG22 . 34709 1 58 . 1 . 1 7 7 THR HG23 H 1 1.217 0.02 . 1 . . . . A 23 THR HG23 . 34709 1 59 . 1 . 1 7 7 THR CA C 13 62.209 0.041 . 1 . . . . A 23 THR CA . 34709 1 60 . 1 . 1 7 7 THR CB C 13 69.832 0.058 . 1 . . . . A 23 THR CB . 34709 1 61 . 1 . 1 7 7 THR N N 15 113.655 0.0 . 1 . . . . A 23 THR N . 34709 1 62 . 1 . 1 8 8 LYS H H 1 8.288 0.002 . 1 . . . . A 24 LYS H . 34709 1 63 . 1 . 1 8 8 LYS HB2 H 1 1.997 0.012 . 1 . . . . A 24 LYS HB2 . 34709 1 64 . 1 . 1 8 8 LYS HG2 H 1 1.405 0.028 . 1 . . . . A 24 LYS HG2 . 34709 1 65 . 1 . 1 8 8 LYS HE2 H 1 2.864 0.004 . 1 . . . . A 24 LYS HE2 . 34709 1 66 . 1 . 1 8 8 LYS HZ1 H 1 7.487 0.027 . 1 . . . . A 24 LYS HZ1 . 34709 1 67 . 1 . 1 8 8 LYS HZ2 H 1 7.487 0.027 . 1 . . . . A 24 LYS HZ2 . 34709 1 68 . 1 . 1 8 8 LYS HZ3 H 1 7.487 0.027 . 1 . . . . A 24 LYS HZ3 . 34709 1 69 . 1 . 1 8 8 LYS CA C 13 56.552 0.018 . 1 . . . . A 24 LYS CA . 34709 1 70 . 1 . 1 8 8 LYS CB C 13 32.922 0.008 . 1 . . . . A 24 LYS CB . 34709 1 71 . 1 . 1 8 8 LYS N N 15 123.795 0.008 . 1 . . . . A 24 LYS N . 34709 1 72 . 1 . 1 9 9 THR H H 1 8.099 0.004 . 1 . . . . A 25 THR H . 34709 1 73 . 1 . 1 9 9 THR HA H 1 4.274 0.007 . 1 . . . . A 25 THR HA . 34709 1 74 . 1 . 1 9 9 THR HB H 1 4.162 0.006 . 1 . . . . A 25 THR HB . 34709 1 75 . 1 . 1 9 9 THR HG1 H 1 1.178 0.005 . 1 . . . . A 25 THR HG1 . 34709 1 76 . 1 . 1 9 9 THR HG21 H 1 1.192 . . 1 . . . . A 25 THR HG21 . 34709 1 77 . 1 . 1 9 9 THR HG22 H 1 1.192 . . 1 . . . . A 25 THR HG22 . 34709 1 78 . 1 . 1 9 9 THR HG23 H 1 1.192 . . 1 . . . . A 25 THR HG23 . 34709 1 79 . 1 . 1 9 9 THR CA C 13 62.118 0.04 . 1 . . . . A 25 THR CA . 34709 1 80 . 1 . 1 9 9 THR CB C 13 69.849 0.023 . 1 . . . . A 25 THR CB . 34709 1 81 . 1 . 1 9 9 THR CG2 C 13 21.610 0.045 . 1 . . . . A 25 THR CG2 . 34709 1 82 . 1 . 1 9 9 THR N N 15 115.610 0.0 . 1 . . . . A 25 THR N . 34709 1 83 . 1 . 1 10 10 ARG H H 1 8.349 0.004 . 1 . . . . A 26 ARG H . 34709 1 84 . 1 . 1 10 10 ARG HA H 1 3.521 . . 1 . . . . A 26 ARG HA . 34709 1 85 . 1 . 1 10 10 ARG HB2 H 1 2.091 . . 2 . . . . A 26 ARG HB2 . 34709 1 86 . 1 . 1 10 10 ARG HB3 H 1 1.893 . . 2 . . . . A 26 ARG HB3 . 34709 1 87 . 1 . 1 10 10 ARG HG2 H 1 1.774 0.026 . 1 . . . . A 26 ARG HG2 . 34709 1 88 . 1 . 1 10 10 ARG HD2 H 1 3.329 0.02 . 1 . . . . A 26 ARG HD2 . 34709 1 89 . 1 . 1 10 10 ARG HE H 1 7.820 0.002 . 1 . . . . A 26 ARG HE . 34709 1 90 . 1 . 1 10 10 ARG C C 13 176.622 . . 1 . . . . A 26 ARG C . 34709 1 91 . 1 . 1 10 10 ARG CA C 13 56.174 0.115 . 1 . . . . A 26 ARG CA . 34709 1 92 . 1 . 1 10 10 ARG CB C 13 30.701 0.013 . 1 . . . . A 26 ARG CB . 34709 1 93 . 1 . 1 10 10 ARG N N 15 123.902 0.0 . 1 . . . . A 26 ARG N . 34709 1 94 . 1 . 1 11 11 GLN H H 1 8.410 0.005 . 1 . . . . A 27 GLN H . 34709 1 95 . 1 . 1 11 11 GLN HA H 1 4.548 . . 1 . . . . A 27 GLN HA . 34709 1 96 . 1 . 1 11 11 GLN HB2 H 1 2.054 0.012 . 2 . . . . A 27 GLN HB2 . 34709 1 97 . 1 . 1 11 11 GLN HB3 H 1 1.903 0.01 . 2 . . . . A 27 GLN HB3 . 34709 1 98 . 1 . 1 11 11 GLN HG2 H 1 2.350 0.011 . 2 . . . . A 27 GLN HG2 . 34709 1 99 . 1 . 1 11 11 GLN HG3 H 1 2.441 . . 2 . . . . A 27 GLN HG3 . 34709 1 100 . 1 . 1 11 11 GLN C C 13 175.340 . . 1 . . . . A 27 GLN C . 34709 1 101 . 1 . 1 11 11 GLN CA C 13 53.577 0.022 . 1 . . . . A 27 GLN CA . 34709 1 102 . 1 . 1 11 11 GLN CB C 13 28.973 0.053 . 1 . . . . A 27 GLN CB . 34709 1 103 . 1 . 1 11 11 GLN CG C 13 33.516 0.036 . 1 . . . . A 27 GLN CG . 34709 1 104 . 1 . 1 11 11 GLN N N 15 123.101 0.177 . 1 . . . . A 27 GLN N . 34709 1 105 . 1 . 1 12 12 PRO HA H 1 4.397 0.013 . 1 . . . . A 28 PRO HA . 34709 1 106 . 1 . 1 12 12 PRO HB2 H 1 2.270 0.006 . 1 . . . . A 28 PRO HB2 . 34709 1 107 . 1 . 1 12 12 PRO HG2 H 1 1.981 0.003 . 2 . . . . A 28 PRO HG2 . 34709 1 108 . 1 . 1 12 12 PRO HG3 H 1 1.869 0.005 . 2 . . . . A 28 PRO HG3 . 34709 1 109 . 1 . 1 12 12 PRO HD2 H 1 3.761 0.004 . 2 . . . . A 28 PRO HD2 . 34709 1 110 . 1 . 1 12 12 PRO HD3 H 1 3.569 0.029 . 2 . . . . A 28 PRO HD3 . 34709 1 111 . 1 . 1 12 12 PRO C C 13 176.769 . . 1 . . . . A 28 PRO C . 34709 1 112 . 1 . 1 12 12 PRO CA C 13 63.069 0.013 . 1 . . . . A 28 PRO CA . 34709 1 113 . 1 . 1 12 12 PRO CB C 13 32.160 0.01 . 1 . . . . A 28 PRO CB . 34709 1 114 . 1 . 1 12 12 PRO CG C 13 27.357 0.001 . 1 . . . . A 28 PRO CG . 34709 1 115 . 1 . 1 12 12 PRO CD C 13 50.769 0.001 . 1 . . . . A 28 PRO CD . 34709 1 116 . 1 . 1 13 13 ARG H H 1 8.427 0.01 . 1 . . . . A 29 ARG H . 34709 1 117 . 1 . 1 13 13 ARG HA H 1 4.326 0.006 . 1 . . . . A 29 ARG HA . 34709 1 118 . 1 . 1 13 13 ARG HB2 H 1 1.759 0.028 . 1 . . . . A 29 ARG HB2 . 34709 1 119 . 1 . 1 13 13 ARG HG2 H 1 1.622 0.013 . 1 . . . . A 29 ARG HG2 . 34709 1 120 . 1 . 1 13 13 ARG HD2 H 1 3.175 0.011 . 1 . . . . A 29 ARG HD2 . 34709 1 121 . 1 . 1 13 13 ARG HE H 1 6.935 0.024 . 1 . . . . A 29 ARG HE . 34709 1 122 . 1 . 1 13 13 ARG C C 13 176.232 0.005 . 1 . . . . A 29 ARG C . 34709 1 123 . 1 . 1 13 13 ARG CA C 13 56.047 0.017 . 1 . . . . A 29 ARG CA . 34709 1 124 . 1 . 1 13 13 ARG CB C 13 30.794 0.033 . 1 . . . . A 29 ARG CB . 34709 1 125 . 1 . 1 13 13 ARG CG C 13 27.039 0.026 . 1 . . . . A 29 ARG CG . 34709 1 126 . 1 . 1 13 13 ARG CD C 13 43.403 0.006 . 1 . . . . A 29 ARG CD . 34709 1 127 . 1 . 1 13 13 ARG N N 15 121.755 0.044 . 1 . . . . A 29 ARG N . 34709 1 128 . 1 . 1 14 14 VAL H H 1 8.168 0.007 . 1 . . . . A 30 VAL H . 34709 1 129 . 1 . 1 14 14 VAL HA H 1 4.182 0.005 . 1 . . . . A 30 VAL HA . 34709 1 130 . 1 . 1 14 14 VAL HB H 1 2.016 0.01 . 1 . . . . A 30 VAL HB . 34709 1 131 . 1 . 1 14 14 VAL HG11 H 1 0.905 0.003 . 2 . . . . A 30 VAL HG11 . 34709 1 132 . 1 . 1 14 14 VAL HG12 H 1 0.905 0.003 . 2 . . . . A 30 VAL HG12 . 34709 1 133 . 1 . 1 14 14 VAL HG13 H 1 0.905 0.003 . 2 . . . . A 30 VAL HG13 . 34709 1 134 . 1 . 1 14 14 VAL HG21 H 1 0.938 0.007 . 2 . . . . A 30 VAL HG21 . 34709 1 135 . 1 . 1 14 14 VAL HG22 H 1 0.938 0.007 . 2 . . . . A 30 VAL HG22 . 34709 1 136 . 1 . 1 14 14 VAL HG23 H 1 0.938 0.007 . 2 . . . . A 30 VAL HG23 . 34709 1 137 . 1 . 1 14 14 VAL C C 13 175.586 . . 1 . . . . A 30 VAL C . 34709 1 138 . 1 . 1 14 14 VAL CB C 13 32.997 0.019 . 1 . . . . A 30 VAL CB . 34709 1 139 . 1 . 1 14 14 VAL CG1 C 13 20.871 0.008 . 2 . . . . A 30 VAL CG1 . 34709 1 140 . 1 . 1 14 14 VAL CG2 C 13 20.829 0.021 . 2 . . . . A 30 VAL CG2 . 34709 1 141 . 1 . 1 14 14 VAL N N 15 122.030 . . 1 . . . . A 30 VAL N . 34709 1 142 . 1 . 1 15 15 GLN H H 1 8.435 0.006 . 1 . . . . A 31 GLN H . 34709 1 143 . 1 . 1 15 15 GLN HA H 1 4.570 . . 1 . . . . A 31 GLN HA . 34709 1 144 . 1 . 1 15 15 GLN HB2 H 1 2.019 0.007 . 2 . . . . A 31 GLN HB2 . 34709 1 145 . 1 . 1 15 15 GLN HB3 H 1 2.272 . . 2 . . . . A 31 GLN HB3 . 34709 1 146 . 1 . 1 15 15 GLN HG2 H 1 2.316 0.018 . 1 . . . . A 31 GLN HG2 . 34709 1 147 . 1 . 1 15 15 GLN HE21 H 1 7.470 0.032 . 1 . . . . A 31 GLN HE21 . 34709 1 148 . 1 . 1 15 15 GLN HE22 H 1 6.580 . . 1 . . . . A 31 GLN HE22 . 34709 1 149 . 1 . 1 15 15 GLN C C 13 175.490 0.198 . 1 . . . . A 31 GLN C . 34709 1 150 . 1 . 1 15 15 GLN CA C 13 55.600 0.034 . 1 . . . . A 31 GLN CA . 34709 1 151 . 1 . 1 15 15 GLN CB C 13 29.711 0.019 . 1 . . . . A 31 GLN CB . 34709 1 152 . 1 . 1 15 15 GLN CG C 13 33.790 0.06 . 1 . . . . A 31 GLN CG . 34709 1 153 . 1 . 1 15 15 GLN N N 15 124.566 0.014 . 1 . . . . A 31 GLN N . 34709 1 154 . 1 . 1 16 16 MET H H 1 8.999 0.005 . 1 . . . . A 32 MET H . 34709 1 155 . 1 . 1 16 16 MET HA H 1 4.129 0.013 . 1 . . . . A 32 MET HA . 34709 1 156 . 1 . 1 16 16 MET HB2 H 1 2.126 0.0 . 1 . . . . A 32 MET HB2 . 34709 1 157 . 1 . 1 16 16 MET HG2 H 1 2.567 0.023 . 1 . . . . A 32 MET HG2 . 34709 1 158 . 1 . 1 16 16 MET C C 13 173.935 . . 1 . . . . A 32 MET C . 34709 1 159 . 1 . 1 16 16 MET CA C 13 55.070 0.366 . 1 . . . . A 32 MET CA . 34709 1 160 . 1 . 1 16 16 MET CB C 13 33.299 0.209 . 1 . . . . A 32 MET CB . 34709 1 161 . 1 . 1 16 16 MET CG C 13 30.829 0.014 . 1 . . . . A 32 MET CG . 34709 1 162 . 1 . 1 16 16 MET CE C 13 18.245 . . 1 . . . . A 32 MET CE . 34709 1 163 . 1 . 1 16 16 MET N N 15 124.169 0.002 . 1 . . . . A 32 MET N . 34709 1 164 . 1 . 1 17 17 PRO HA H 1 4.325 0.009 . 1 . . . . A 33 PRO HA . 34709 1 165 . 1 . 1 17 17 PRO HB2 H 1 2.135 . . 1 . . . . A 33 PRO HB2 . 34709 1 166 . 1 . 1 17 17 PRO HG2 H 1 1.917 0.021 . 1 . . . . A 33 PRO HG2 . 34709 1 167 . 1 . 1 17 17 PRO HD2 H 1 3.954 0.015 . 2 . . . . A 33 PRO HD2 . 34709 1 168 . 1 . 1 17 17 PRO HD3 H 1 3.605 0.046 . 2 . . . . A 33 PRO HD3 . 34709 1 169 . 1 . 1 18 18 ASN H H 1 8.842 . . 1 . . . . A 34 ASN H . 34709 1 170 . 1 . 1 18 18 ASN HA H 1 4.446 0.029 . 1 . . . . A 34 ASN HA . 34709 1 171 . 1 . 1 18 18 ASN HB2 H 1 2.803 0.016 . 1 . . . . A 34 ASN HB2 . 34709 1 172 . 1 . 1 18 18 ASN C C 13 178.015 . . 1 . . . . A 34 ASN C . 34709 1 173 . 1 . 1 18 18 ASN CA C 13 56.312 0.071 . 1 . . . . A 34 ASN CA . 34709 1 174 . 1 . 1 18 18 ASN CB C 13 38.296 0.044 . 1 . . . . A 34 ASN CB . 34709 1 175 . 1 . 1 19 19 GLY H H 1 9.021 0.005 . 1 . . . . A 35 GLY H . 34709 1 176 . 1 . 1 19 19 GLY HA2 H 1 3.771 0.0 . 1 . . . . A 35 GLY HA2 . 34709 1 177 . 1 . 1 19 19 GLY C C 13 175.716 0.0 . 1 . . . . A 35 GLY C . 34709 1 178 . 1 . 1 19 19 GLY CA C 13 47.180 . . 1 . . . . A 35 GLY CA . 34709 1 179 . 1 . 1 19 19 GLY N N 15 108.411 0.0 . 1 . . . . A 35 GLY N . 34709 1 180 . 1 . 1 20 20 LEU H H 1 7.117 0.01 . 1 . . . . A 36 LEU H . 34709 1 181 . 1 . 1 20 20 LEU HA H 1 3.908 . . 1 . . . . A 36 LEU HA . 34709 1 182 . 1 . 1 20 20 LEU HB2 H 1 1.676 0.037 . 2 . . . . A 36 LEU HB2 . 34709 1 183 . 1 . 1 20 20 LEU HB3 H 1 1.571 . . 2 . . . . A 36 LEU HB3 . 34709 1 184 . 1 . 1 20 20 LEU HG H 1 1.924 0.008 . 1 . . . . A 36 LEU HG . 34709 1 185 . 1 . 1 20 20 LEU HD11 H 1 -0.039 0.014 . 2 . . . . A 36 LEU HD11 . 34709 1 186 . 1 . 1 20 20 LEU HD12 H 1 -0.039 0.014 . 2 . . . . A 36 LEU HD12 . 34709 1 187 . 1 . 1 20 20 LEU HD13 H 1 -0.039 0.014 . 2 . . . . A 36 LEU HD13 . 34709 1 188 . 1 . 1 20 20 LEU HD21 H 1 0.484 . . 2 . . . . A 36 LEU HD21 . 34709 1 189 . 1 . 1 20 20 LEU HD22 H 1 0.484 . . 2 . . . . A 36 LEU HD22 . 34709 1 190 . 1 . 1 20 20 LEU HD23 H 1 0.484 . . 2 . . . . A 36 LEU HD23 . 34709 1 191 . 1 . 1 20 20 LEU C C 13 178.419 0.0 . 1 . . . . A 36 LEU C . 34709 1 192 . 1 . 1 20 20 LEU CA C 13 57.407 0.056 . 1 . . . . A 36 LEU CA . 34709 1 193 . 1 . 1 20 20 LEU CB C 13 42.194 0.044 . 1 . . . . A 36 LEU CB . 34709 1 194 . 1 . 1 20 20 LEU CG C 13 27.216 . . 1 . . . . A 36 LEU CG . 34709 1 195 . 1 . 1 20 20 LEU CD1 C 13 23.216 0.017 . 2 . . . . A 36 LEU CD1 . 34709 1 196 . 1 . 1 20 20 LEU CD2 C 13 25.214 . . 2 . . . . A 36 LEU CD2 . 34709 1 197 . 1 . 1 20 20 LEU N N 15 122.796 0.0 . 1 . . . . A 36 LEU N . 34709 1 198 . 1 . 1 21 21 VAL H H 1 7.745 0.004 . 1 . . . . A 37 VAL H . 34709 1 199 . 1 . 1 21 21 VAL HA H 1 4.227 0.011 . 1 . . . . A 37 VAL HA . 34709 1 200 . 1 . 1 21 21 VAL HB H 1 2.239 0.016 . 1 . . . . A 37 VAL HB . 34709 1 201 . 1 . 1 21 21 VAL HG11 H 1 1.055 . . 2 . . . . A 37 VAL HG11 . 34709 1 202 . 1 . 1 21 21 VAL HG12 H 1 1.055 . . 2 . . . . A 37 VAL HG12 . 34709 1 203 . 1 . 1 21 21 VAL HG13 H 1 1.055 . . 2 . . . . A 37 VAL HG13 . 34709 1 204 . 1 . 1 21 21 VAL HG21 H 1 0.901 0.0 . 2 . . . . A 37 VAL HG21 . 34709 1 205 . 1 . 1 21 21 VAL HG22 H 1 0.901 0.0 . 2 . . . . A 37 VAL HG22 . 34709 1 206 . 1 . 1 21 21 VAL HG23 H 1 0.901 0.0 . 2 . . . . A 37 VAL HG23 . 34709 1 207 . 1 . 1 21 21 VAL C C 13 177.764 0.008 . 1 . . . . A 37 VAL C . 34709 1 208 . 1 . 1 21 21 VAL CA C 13 66.832 0.018 . 1 . . . . A 37 VAL CA . 34709 1 209 . 1 . 1 21 21 VAL CB C 13 31.023 0.019 . 1 . . . . A 37 VAL CB . 34709 1 210 . 1 . 1 21 21 VAL N N 15 118.657 0.0 . 1 . . . . A 37 VAL N . 34709 1 211 . 1 . 1 22 22 LEU H H 1 7.964 0.006 . 1 . . . . A 38 LEU H . 34709 1 212 . 1 . 1 22 22 LEU HA H 1 3.972 0.008 . 1 . . . . A 38 LEU HA . 34709 1 213 . 1 . 1 22 22 LEU HB2 H 1 1.978 0.002 . 1 . . . . A 38 LEU HB2 . 34709 1 214 . 1 . 1 22 22 LEU HG H 1 1.713 . . 1 . . . . A 38 LEU HG . 34709 1 215 . 1 . 1 22 22 LEU HD11 H 1 0.850 . . 1 . . . . A 38 LEU HD11 . 34709 1 216 . 1 . 1 22 22 LEU HD12 H 1 0.850 . . 1 . . . . A 38 LEU HD12 . 34709 1 217 . 1 . 1 22 22 LEU HD13 H 1 0.850 . . 1 . . . . A 38 LEU HD13 . 34709 1 218 . 1 . 1 22 22 LEU C C 13 177.992 . . 1 . . . . A 38 LEU C . 34709 1 219 . 1 . 1 22 22 LEU CA C 13 58.807 . . 1 . . . . A 38 LEU CA . 34709 1 220 . 1 . 1 22 22 LEU N N 15 119.108 0.035 . 1 . . . . A 38 LEU N . 34709 1 221 . 1 . 1 23 23 MET H H 1 8.443 . . 1 . . . . A 39 MET H . 34709 1 222 . 1 . 1 23 23 MET HG2 H 1 2.677 . . 1 . . . . A 39 MET HG2 . 34709 1 223 . 1 . 1 23 23 MET C C 13 180.601 . . 1 . . . . A 39 MET C . 34709 1 224 . 1 . 1 24 24 ARG H H 1 8.531 0.005 . 1 . . . . A 40 ARG H . 34709 1 225 . 1 . 1 24 24 ARG HE H 1 7.358 . . 1 . . . . A 40 ARG HE . 34709 1 226 . 1 . 1 24 24 ARG C C 13 178.830 . . 1 . . . . A 40 ARG C . 34709 1 227 . 1 . 1 24 24 ARG CA C 13 58.714 0.034 . 1 . . . . A 40 ARG CA . 34709 1 228 . 1 . 1 24 24 ARG CB C 13 27.463 0.013 . 1 . . . . A 40 ARG CB . 34709 1 229 . 1 . 1 24 24 ARG N N 15 121.151 0.002 . 1 . . . . A 40 ARG N . 34709 1 230 . 1 . 1 25 25 MET H H 1 8.663 0.0 . 1 . . . . A 41 MET H . 34709 1 231 . 1 . 1 25 25 MET HA H 1 3.808 . . 1 . . . . A 41 MET HA . 34709 1 232 . 1 . 1 25 25 MET HG2 H 1 1.901 0.013 . 1 . . . . A 41 MET HG2 . 34709 1 233 . 1 . 1 25 25 MET C C 13 179.149 0.017 . 1 . . . . A 41 MET C . 34709 1 234 . 1 . 1 25 25 MET CA C 13 56.848 0.056 . 1 . . . . A 41 MET CA . 34709 1 235 . 1 . 1 25 25 MET CB C 13 30.148 0.069 . 1 . . . . A 41 MET CB . 34709 1 236 . 1 . 1 25 25 MET N N 15 118.875 0.0 . 1 . . . . A 41 MET N . 34709 1 237 . 1 . 1 26 26 MET H H 1 8.133 0.005 . 1 . . . . A 42 MET H . 34709 1 238 . 1 . 1 26 26 MET HA H 1 4.155 . . 1 . . . . A 42 MET HA . 34709 1 239 . 1 . 1 26 26 MET HB2 H 1 1.535 0.01 . 2 . . . . A 42 MET HB2 . 34709 1 240 . 1 . 1 26 26 MET HB3 H 1 2.099 . . 2 . . . . A 42 MET HB3 . 34709 1 241 . 1 . 1 26 26 MET HG2 H 1 2.397 0.017 . 1 . . . . A 42 MET HG2 . 34709 1 242 . 1 . 1 26 26 MET C C 13 179.060 0.007 . 1 . . . . A 42 MET C . 34709 1 243 . 1 . 1 26 26 MET CA C 13 56.261 0.017 . 1 . . . . A 42 MET CA . 34709 1 244 . 1 . 1 26 26 MET CB C 13 28.912 . . 1 . . . . A 42 MET CB . 34709 1 245 . 1 . 1 26 26 MET N N 15 119.078 0.032 . 1 . . . . A 42 MET N . 34709 1 246 . 1 . 1 27 27 GLY H H 1 7.807 0.003 . 1 . . . . A 43 GLY H . 34709 1 247 . 1 . 1 27 27 GLY HA2 H 1 3.994 . . 2 . . . . A 43 GLY HA2 . 34709 1 248 . 1 . 1 27 27 GLY HA3 H 1 3.770 0.013 . 2 . . . . A 43 GLY HA3 . 34709 1 249 . 1 . 1 27 27 GLY C C 13 176.266 . . 1 . . . . A 43 GLY C . 34709 1 250 . 1 . 1 27 27 GLY CA C 13 47.682 . . 1 . . . . A 43 GLY CA . 34709 1 251 . 1 . 1 27 27 GLY N N 15 109.379 0.0 . 1 . . . . A 43 GLY N . 34709 1 252 . 1 . 1 28 28 ILE H H 1 8.448 0.027 . 1 . . . . A 44 ILE H . 34709 1 253 . 1 . 1 28 28 ILE HA H 1 4.467 0.009 . 1 . . . . A 44 ILE HA . 34709 1 254 . 1 . 1 28 28 ILE HB H 1 2.736 0.008 . 1 . . . . A 44 ILE HB . 34709 1 255 . 1 . 1 28 28 ILE HG12 H 1 0.928 0.013 . 2 . . . . A 44 ILE HG12 . 34709 1 256 . 1 . 1 28 28 ILE HG13 H 1 1.514 . . 2 . . . . A 44 ILE HG13 . 34709 1 257 . 1 . 1 28 28 ILE HG21 H 1 0.929 0.006 . 1 . . . . A 44 ILE HG21 . 34709 1 258 . 1 . 1 28 28 ILE HG22 H 1 0.929 0.006 . 1 . . . . A 44 ILE HG22 . 34709 1 259 . 1 . 1 28 28 ILE HG23 H 1 0.929 0.006 . 1 . . . . A 44 ILE HG23 . 34709 1 260 . 1 . 1 28 28 ILE HD11 H 1 1.211 0.008 . 1 . . . . A 44 ILE HD11 . 34709 1 261 . 1 . 1 28 28 ILE HD12 H 1 1.211 0.008 . 1 . . . . A 44 ILE HD12 . 34709 1 262 . 1 . 1 28 28 ILE HD13 H 1 1.211 0.008 . 1 . . . . A 44 ILE HD13 . 34709 1 263 . 1 . 1 28 28 ILE C C 13 179.172 . . 1 . . . . A 44 ILE C . 34709 1 264 . 1 . 1 28 28 ILE CA C 13 63.435 0.119 . 1 . . . . A 44 ILE CA . 34709 1 265 . 1 . 1 28 28 ILE CB C 13 35.967 0.049 . 1 . . . . A 44 ILE CB . 34709 1 266 . 1 . 1 28 28 ILE CG1 C 13 28.579 0.007 . 1 . . . . A 44 ILE CG1 . 34709 1 267 . 1 . 1 28 28 ILE CG2 C 13 17.570 0.006 . 1 . . . . A 44 ILE CG2 . 34709 1 268 . 1 . 1 28 28 ILE CD1 C 13 11.988 0.043 . 1 . . . . A 44 ILE CD1 . 34709 1 269 . 1 . 1 29 29 LEU H H 1 8.873 0.005 . 1 . . . . A 45 LEU H . 34709 1 270 . 1 . 1 29 29 LEU HA H 1 4.048 0.019 . 1 . . . . A 45 LEU HA . 34709 1 271 . 1 . 1 29 29 LEU HB2 H 1 1.271 . . 1 . . . . A 45 LEU HB2 . 34709 1 272 . 1 . 1 29 29 LEU HD11 H 1 0.885 0.002 . 1 . . . . A 45 LEU HD11 . 34709 1 273 . 1 . 1 29 29 LEU HD12 H 1 0.885 0.002 . 1 . . . . A 45 LEU HD12 . 34709 1 274 . 1 . 1 29 29 LEU HD13 H 1 0.885 0.002 . 1 . . . . A 45 LEU HD13 . 34709 1 275 . 1 . 1 29 29 LEU C C 13 177.011 0.009 . 1 . . . . A 45 LEU C . 34709 1 276 . 1 . 1 29 29 LEU CA C 13 58.288 0.038 . 1 . . . . A 45 LEU CA . 34709 1 277 . 1 . 1 29 29 LEU CB C 13 41.824 0.023 . 1 . . . . A 45 LEU CB . 34709 1 278 . 1 . 1 29 29 LEU N N 15 122.469 0.0 . 1 . . . . A 45 LEU N . 34709 1 279 . 1 . 1 30 30 TRP H H 1 8.843 0.002 . 1 . . . . A 46 TRP H . 34709 1 280 . 1 . 1 30 30 TRP HA H 1 4.758 0.021 . 1 . . . . A 46 TRP HA . 34709 1 281 . 1 . 1 30 30 TRP HB2 H 1 3.423 0.01 . 2 . . . . A 46 TRP HB2 . 34709 1 282 . 1 . 1 30 30 TRP HB3 H 1 3.428 . . 2 . . . . A 46 TRP HB3 . 34709 1 283 . 1 . 1 30 30 TRP HE3 H 1 7.349 0.027 . 1 . . . . A 46 TRP HE3 . 34709 1 284 . 1 . 1 30 30 TRP C C 13 177.872 0.004 . 1 . . . . A 46 TRP C . 34709 1 285 . 1 . 1 30 30 TRP CA C 13 61.264 0.031 . 1 . . . . A 46 TRP CA . 34709 1 286 . 1 . 1 30 30 TRP CB C 13 28.333 0.072 . 1 . . . . A 46 TRP CB . 34709 1 287 . 1 . 1 30 30 TRP N N 15 120.024 0.0 . 1 . . . . A 46 TRP N . 34709 1 288 . 1 . 1 31 31 HIS H H 1 7.926 0.002 . 1 . . . . A 47 HIS H . 34709 1 289 . 1 . 1 31 31 HIS HA H 1 4.076 0.006 . 1 . . . . A 47 HIS HA . 34709 1 290 . 1 . 1 31 31 HIS HB2 H 1 2.949 0.033 . 1 . . . . A 47 HIS HB2 . 34709 1 291 . 1 . 1 31 31 HIS HD2 H 1 6.703 0.025 . 1 . . . . A 47 HIS HD2 . 34709 1 292 . 1 . 1 31 31 HIS HE2 H 1 10.147 0.019 . 1 . . . . A 47 HIS HE2 . 34709 1 293 . 1 . 1 31 31 HIS C C 13 177.386 . . 1 . . . . A 47 HIS C . 34709 1 294 . 1 . 1 31 31 HIS CA C 13 60.600 . . 1 . . . . A 47 HIS CA . 34709 1 295 . 1 . 1 31 31 HIS N N 15 114.963 0.001 . 1 . . . . A 47 HIS N . 34709 1 296 . 1 . 1 32 32 ALA H H 1 8.109 . . 1 . . . . A 48 ALA H . 34709 1 297 . 1 . 1 32 32 ALA HA H 1 4.174 0.016 . 1 . . . . A 48 ALA HA . 34709 1 298 . 1 . 1 32 32 ALA HB1 H 1 1.448 0.021 . 1 . . . . A 48 ALA HB1 . 34709 1 299 . 1 . 1 32 32 ALA HB2 H 1 1.448 0.021 . 1 . . . . A 48 ALA HB2 . 34709 1 300 . 1 . 1 32 32 ALA HB3 H 1 1.448 0.021 . 1 . . . . A 48 ALA HB3 . 34709 1 301 . 1 . 1 32 32 ALA C C 13 180.465 . . 1 . . . . A 48 ALA C . 34709 1 302 . 1 . 1 32 32 ALA CA C 13 54.807 0.01 . 1 . . . . A 48 ALA CA . 34709 1 303 . 1 . 1 32 32 ALA CB C 13 18.484 0.005 . 1 . . . . A 48 ALA CB . 34709 1 304 . 1 . 1 33 33 VAL H H 1 8.642 0.007 . 1 . . . . A 49 VAL H . 34709 1 305 . 1 . 1 33 33 VAL HA H 1 3.759 0.011 . 1 . . . . A 49 VAL HA . 34709 1 306 . 1 . 1 33 33 VAL HB H 1 2.005 0.005 . 1 . . . . A 49 VAL HB . 34709 1 307 . 1 . 1 33 33 VAL HG11 H 1 0.853 0.007 . 2 . . . . A 49 VAL HG11 . 34709 1 308 . 1 . 1 33 33 VAL HG12 H 1 0.853 0.007 . 2 . . . . A 49 VAL HG12 . 34709 1 309 . 1 . 1 33 33 VAL HG13 H 1 0.853 0.007 . 2 . . . . A 49 VAL HG13 . 34709 1 310 . 1 . 1 33 33 VAL HG21 H 1 1.075 0.005 . 2 . . . . A 49 VAL HG21 . 34709 1 311 . 1 . 1 33 33 VAL HG22 H 1 1.075 0.005 . 2 . . . . A 49 VAL HG22 . 34709 1 312 . 1 . 1 33 33 VAL HG23 H 1 1.075 0.005 . 2 . . . . A 49 VAL HG23 . 34709 1 313 . 1 . 1 33 33 VAL C C 13 176.778 0.011 . 1 . . . . A 49 VAL C . 34709 1 314 . 1 . 1 33 33 VAL CA C 13 65.249 0.032 . 1 . . . . A 49 VAL CA . 34709 1 315 . 1 . 1 33 33 VAL CB C 13 31.991 0.109 . 1 . . . . A 49 VAL CB . 34709 1 316 . 1 . 1 33 33 VAL CG1 C 13 22.064 0.014 . 1 . . . . A 49 VAL CG1 . 34709 1 317 . 1 . 1 33 33 VAL CG2 C 13 22.833 0.003 . 1 . . . . A 49 VAL CG2 . 34709 1 318 . 1 . 1 33 33 VAL N N 15 117.598 0.0 . 1 . . . . A 49 VAL N . 34709 1 319 . 1 . 1 34 34 ALA H H 1 8.159 0.007 . 1 . . . . A 50 ALA H . 34709 1 320 . 1 . 1 34 34 ALA HA H 1 4.010 . . 1 . . . . A 50 ALA HA . 34709 1 321 . 1 . 1 34 34 ALA HB1 H 1 1.030 0.006 . 1 . . . . A 50 ALA HB1 . 34709 1 322 . 1 . 1 34 34 ALA HB2 H 1 1.030 0.006 . 1 . . . . A 50 ALA HB2 . 34709 1 323 . 1 . 1 34 34 ALA HB3 H 1 1.030 0.006 . 1 . . . . A 50 ALA HB3 . 34709 1 324 . 1 . 1 34 34 ALA C C 13 178.223 0.001 . 1 . . . . A 50 ALA C . 34709 1 325 . 1 . 1 34 34 ALA CA C 13 52.974 . . 1 . . . . A 50 ALA CA . 34709 1 326 . 1 . 1 34 34 ALA N N 15 120.238 0.0 . 1 . . . . A 50 ALA N . 34709 1 327 . 1 . 1 35 35 GLY H H 1 7.850 0.012 . 1 . . . . A 51 GLY H . 34709 1 328 . 1 . 1 35 35 GLY HA2 H 1 3.984 . . 2 . . . . A 51 GLY HA2 . 34709 1 329 . 1 . 1 35 35 GLY HA3 H 1 3.833 . . 2 . . . . A 51 GLY HA3 . 34709 1 330 . 1 . 1 35 35 GLY C C 13 175.095 0.014 . 1 . . . . A 51 GLY C . 34709 1 331 . 1 . 1 35 35 GLY CA C 13 46.027 0.007 . 1 . . . . A 51 GLY CA . 34709 1 332 . 1 . 1 35 35 GLY N N 15 106.654 0.0 . 1 . . . . A 51 GLY N . 34709 1 333 . 1 . 1 36 36 THR H H 1 8.133 0.003 . 1 . . . . A 52 THR H . 34709 1 334 . 1 . 1 36 36 THR HA H 1 4.506 0.012 . 1 . . . . A 52 THR HA . 34709 1 335 . 1 . 1 36 36 THR HB H 1 4.457 0.004 . 1 . . . . A 52 THR HB . 34709 1 336 . 1 . 1 36 36 THR HG1 H 1 4.750 0.018 . 1 . . . . A 52 THR HG1 . 34709 1 337 . 1 . 1 36 36 THR HG21 H 1 1.069 0.013 . 1 . . . . A 52 THR HG21 . 34709 1 338 . 1 . 1 36 36 THR HG22 H 1 1.069 0.013 . 1 . . . . A 52 THR HG22 . 34709 1 339 . 1 . 1 36 36 THR HG23 H 1 1.069 0.013 . 1 . . . . A 52 THR HG23 . 34709 1 340 . 1 . 1 36 36 THR C C 13 174.072 0.022 . 1 . . . . A 52 THR C . 34709 1 341 . 1 . 1 36 36 THR CA C 13 59.466 0.066 . 1 . . . . A 52 THR CA . 34709 1 342 . 1 . 1 36 36 THR CB C 13 70.969 0.042 . 1 . . . . A 52 THR CB . 34709 1 343 . 1 . 1 36 36 THR CG2 C 13 22.206 0.02 . 1 . . . . A 52 THR CG2 . 34709 1 344 . 1 . 1 36 36 THR N N 15 110.999 0.0 . 1 . . . . A 52 THR N . 34709 1 345 . 1 . 1 37 37 ALA H H 1 8.286 0.003 . 1 . . . . A 53 ALA H . 34709 1 346 . 1 . 1 37 37 ALA HA H 1 4.113 0.003 . 1 . . . . A 53 ALA HA . 34709 1 347 . 1 . 1 37 37 ALA HB1 H 1 1.260 0.002 . 1 . . . . A 53 ALA HB1 . 34709 1 348 . 1 . 1 37 37 ALA HB2 H 1 1.260 0.002 . 1 . . . . A 53 ALA HB2 . 34709 1 349 . 1 . 1 37 37 ALA HB3 H 1 1.260 0.002 . 1 . . . . A 53 ALA HB3 . 34709 1 350 . 1 . 1 37 37 ALA C C 13 177.766 0.0 . 1 . . . . A 53 ALA C . 34709 1 351 . 1 . 1 37 37 ALA CA C 13 52.127 0.027 . 1 . . . . A 53 ALA CA . 34709 1 352 . 1 . 1 37 37 ALA CB C 13 19.094 0.007 . 1 . . . . A 53 ALA CB . 34709 1 353 . 1 . 1 37 37 ALA N N 15 123.390 0.0 . 1 . . . . A 53 ALA N . 34709 1 354 . 1 . 1 38 38 ARG H H 1 8.330 0.01 . 1 . . . . A 54 ARG H . 34709 1 355 . 1 . 1 38 38 ARG HA H 1 3.064 0.001 . 1 . . . . A 54 ARG HA . 34709 1 356 . 1 . 1 38 38 ARG HB2 H 1 1.360 . . 1 . . . . A 54 ARG HB2 . 34709 1 357 . 1 . 1 38 38 ARG HG2 H 1 1.249 0.003 . 1 . . . . A 54 ARG HG2 . 34709 1 358 . 1 . 1 38 38 ARG HD2 H 1 3.020 . . 1 . . . . A 54 ARG HD2 . 34709 1 359 . 1 . 1 38 38 ARG C C 13 175.540 0.034 . 1 . . . . A 54 ARG C . 34709 1 360 . 1 . 1 38 38 ARG CA C 13 56.325 0.031 . 1 . . . . A 54 ARG CA . 34709 1 361 . 1 . 1 38 38 ARG CB C 13 31.109 0.216 . 1 . . . . A 54 ARG CB . 34709 1 362 . 1 . 1 38 38 ARG CG C 13 27.595 . . 1 . . . . A 54 ARG CG . 34709 1 363 . 1 . 1 38 38 ARG CD C 13 43.654 . . 1 . . . . A 54 ARG CD . 34709 1 364 . 1 . 1 38 38 ARG N N 15 119.998 0.0 . 1 . . . . A 54 ARG N . 34709 1 365 . 1 . 1 39 39 ASN H H 1 6.762 0.015 . 1 . . . . A 55 ASN H . 34709 1 366 . 1 . 1 39 39 ASN HA H 1 4.744 0.018 . 1 . . . . A 55 ASN HA . 34709 1 367 . 1 . 1 39 39 ASN HB2 H 1 2.861 0.023 . 2 . . . . A 55 ASN HB2 . 34709 1 368 . 1 . 1 39 39 ASN HB3 H 1 2.757 . . 2 . . . . A 55 ASN HB3 . 34709 1 369 . 1 . 1 39 39 ASN HD21 H 1 7.393 0.007 . 1 . . . . A 55 ASN HD21 . 34709 1 370 . 1 . 1 39 39 ASN HD22 H 1 6.953 . . 1 . . . . A 55 ASN HD22 . 34709 1 371 . 1 . 1 39 39 ASN C C 13 173.433 . . 1 . . . . A 55 ASN C . 34709 1 372 . 1 . 1 39 39 ASN N N 15 120.293 0.0 . 1 . . . . A 55 ASN N . 34709 1 373 . 1 . 1 40 40 PRO HA H 1 4.126 0.008 . 1 . . . . A 56 PRO HA . 34709 1 374 . 1 . 1 40 40 PRO HG2 H 1 1.587 0.013 . 1 . . . . A 56 PRO HG2 . 34709 1 375 . 1 . 1 40 40 PRO HD2 H 1 3.792 . . 1 . . . . A 56 PRO HD2 . 34709 1 376 . 1 . 1 40 40 PRO C C 13 179.533 . . 1 . . . . A 56 PRO C . 34709 1 377 . 1 . 1 40 40 PRO CA C 13 66.705 0.005 . 1 . . . . A 56 PRO CA . 34709 1 378 . 1 . 1 40 40 PRO CB C 13 32.250 0.02 . 1 . . . . A 56 PRO CB . 34709 1 379 . 1 . 1 40 40 PRO CG C 13 28.195 . . 1 . . . . A 56 PRO CG . 34709 1 380 . 1 . 1 41 41 VAL H H 1 7.844 0.009 . 1 . . . . A 57 VAL H . 34709 1 381 . 1 . 1 41 41 VAL HA H 1 3.813 0.015 . 1 . . . . A 57 VAL HA . 34709 1 382 . 1 . 1 41 41 VAL HB H 1 2.118 0.01 . 1 . . . . A 57 VAL HB . 34709 1 383 . 1 . 1 41 41 VAL HG11 H 1 0.872 0.012 . 2 . . . . A 57 VAL HG11 . 34709 1 384 . 1 . 1 41 41 VAL HG12 H 1 0.872 0.012 . 2 . . . . A 57 VAL HG12 . 34709 1 385 . 1 . 1 41 41 VAL HG13 H 1 0.872 0.012 . 2 . . . . A 57 VAL HG13 . 34709 1 386 . 1 . 1 41 41 VAL HG21 H 1 1.017 0.013 . 2 . . . . A 57 VAL HG21 . 34709 1 387 . 1 . 1 41 41 VAL HG22 H 1 1.017 0.013 . 2 . . . . A 57 VAL HG22 . 34709 1 388 . 1 . 1 41 41 VAL HG23 H 1 1.017 0.013 . 2 . . . . A 57 VAL HG23 . 34709 1 389 . 1 . 1 41 41 VAL C C 13 179.201 0.001 . 1 . . . . A 57 VAL C . 34709 1 390 . 1 . 1 41 41 VAL CA C 13 66.158 0.047 . 1 . . . . A 57 VAL CA . 34709 1 391 . 1 . 1 41 41 VAL CB C 13 31.612 0.025 . 1 . . . . A 57 VAL CB . 34709 1 392 . 1 . 1 41 41 VAL CG1 C 13 20.403 0.021 . 1 . . . . A 57 VAL CG1 . 34709 1 393 . 1 . 1 41 41 VAL CG2 C 13 22.533 0.012 . 1 . . . . A 57 VAL CG2 . 34709 1 394 . 1 . 1 41 41 VAL N N 15 118.813 0.076 . 1 . . . . A 57 VAL N . 34709 1 395 . 1 . 1 42 42 LEU H H 1 8.037 0.013 . 1 . . . . A 58 LEU H . 34709 1 396 . 1 . 1 42 42 LEU HA H 1 4.105 0.002 . 1 . . . . A 58 LEU HA . 34709 1 397 . 1 . 1 42 42 LEU HB2 H 1 1.898 0.014 . 1 . . . . A 58 LEU HB2 . 34709 1 398 . 1 . 1 42 42 LEU HD11 H 1 0.929 0.011 . 1 . . . . A 58 LEU HD11 . 34709 1 399 . 1 . 1 42 42 LEU HD12 H 1 0.929 0.011 . 1 . . . . A 58 LEU HD12 . 34709 1 400 . 1 . 1 42 42 LEU HD13 H 1 0.929 0.011 . 1 . . . . A 58 LEU HD13 . 34709 1 401 . 1 . 1 42 42 LEU C C 13 179.207 . . 1 . . . . A 58 LEU C . 34709 1 402 . 1 . 1 42 42 LEU CA C 13 57.320 0.018 . 1 . . . . A 58 LEU CA . 34709 1 403 . 1 . 1 42 42 LEU CB C 13 41.357 . . 1 . . . . A 58 LEU CB . 34709 1 404 . 1 . 1 42 42 LEU N N 15 121.150 0.0 . 1 . . . . A 58 LEU N . 34709 1 405 . 1 . 1 43 43 LYS H H 1 8.531 0.008 . 1 . . . . A 59 LYS H . 34709 1 406 . 1 . 1 43 43 LYS HA H 1 4.035 0.008 . 1 . . . . A 59 LYS HA . 34709 1 407 . 1 . 1 43 43 LYS HB2 H 1 1.807 0.008 . 1 . . . . A 59 LYS HB2 . 34709 1 408 . 1 . 1 43 43 LYS HG2 H 1 1.519 0.006 . 1 . . . . A 59 LYS HG2 . 34709 1 409 . 1 . 1 43 43 LYS HD2 H 1 1.605 0.001 . 1 . . . . A 59 LYS HD2 . 34709 1 410 . 1 . 1 43 43 LYS C C 13 178.514 0.001 . 1 . . . . A 59 LYS C . 34709 1 411 . 1 . 1 43 43 LYS CA C 13 60.405 0.023 . 1 . . . . A 59 LYS CA . 34709 1 412 . 1 . 1 43 43 LYS CB C 13 32.634 0.072 . 1 . . . . A 59 LYS CB . 34709 1 413 . 1 . 1 43 43 LYS CG C 13 25.460 . . 1 . . . . A 59 LYS CG . 34709 1 414 . 1 . 1 43 43 LYS CD C 13 29.604 0.004 . 1 . . . . A 59 LYS CD . 34709 1 415 . 1 . 1 43 43 LYS CE C 13 41.946 . . 1 . . . . A 59 LYS CE . 34709 1 416 . 1 . 1 43 43 LYS N N 15 121.149 0.0 . 1 . . . . A 59 LYS N . 34709 1 417 . 1 . 1 44 44 ALA H H 1 7.832 0.007 . 1 . . . . A 60 ALA H . 34709 1 418 . 1 . 1 44 44 ALA HA H 1 4.243 0.006 . 1 . . . . A 60 ALA HA . 34709 1 419 . 1 . 1 44 44 ALA HB1 H 1 1.531 0.022 . 1 . . . . A 60 ALA HB1 . 34709 1 420 . 1 . 1 44 44 ALA HB2 H 1 1.531 0.022 . 1 . . . . A 60 ALA HB2 . 34709 1 421 . 1 . 1 44 44 ALA HB3 H 1 1.531 0.022 . 1 . . . . A 60 ALA HB3 . 34709 1 422 . 1 . 1 44 44 ALA C C 13 180.951 0.003 . 1 . . . . A 60 ALA C . 34709 1 423 . 1 . 1 44 44 ALA CA C 13 55.063 0.05 . 1 . . . . A 60 ALA CA . 34709 1 424 . 1 . 1 44 44 ALA CB C 13 17.716 0.074 . 1 . . . . A 60 ALA CB . 34709 1 425 . 1 . 1 44 44 ALA N N 15 120.589 0.0 . 1 . . . . A 60 ALA N . 34709 1 426 . 1 . 1 45 45 PHE H H 1 8.114 0.008 . 1 . . . . A 61 PHE H . 34709 1 427 . 1 . 1 45 45 PHE HB2 H 1 3.375 . . 1 . . . . A 61 PHE HB2 . 34709 1 428 . 1 . 1 45 45 PHE HD1 H 1 7.296 . . 1 . . . . A 61 PHE HD1 . 34709 1 429 . 1 . 1 45 45 PHE HD2 H 1 7.296 . . 1 . . . . A 61 PHE HD2 . 34709 1 430 . 1 . 1 45 45 PHE HE1 H 1 7.229 0.044 . 1 . . . . A 61 PHE HE1 . 34709 1 431 . 1 . 1 45 45 PHE HE2 H 1 7.229 0.044 . 1 . . . . A 61 PHE HE2 . 34709 1 432 . 1 . 1 45 45 PHE C C 13 175.810 0.011 . 1 . . . . A 61 PHE C . 34709 1 433 . 1 . 1 45 45 PHE CA C 13 61.113 0.0 . 1 . . . . A 61 PHE CA . 34709 1 434 . 1 . 1 45 45 PHE CB C 13 38.979 0.003 . 1 . . . . A 61 PHE CB . 34709 1 435 . 1 . 1 45 45 PHE N N 15 120.198 0.002 . 1 . . . . A 61 PHE N . 34709 1 436 . 1 . 1 46 46 TRP H H 1 8.709 0.011 . 1 . . . . A 62 TRP H . 34709 1 437 . 1 . 1 46 46 TRP HA H 1 3.742 0.011 . 1 . . . . A 62 TRP HA . 34709 1 438 . 1 . 1 46 46 TRP HB2 H 1 3.362 0.027 . 1 . . . . A 62 TRP HB2 . 34709 1 439 . 1 . 1 46 46 TRP HD1 H 1 7.352 0.007 . 1 . . . . A 62 TRP HD1 . 34709 1 440 . 1 . 1 46 46 TRP C C 13 175.525 0.024 . 1 . . . . A 62 TRP C . 34709 1 441 . 1 . 1 46 46 TRP CA C 13 59.869 0.03 . 1 . . . . A 62 TRP CA . 34709 1 442 . 1 . 1 46 46 TRP CB C 13 29.015 0.085 . 1 . . . . A 62 TRP CB . 34709 1 443 . 1 . 1 46 46 TRP N N 15 120.776 0.0 . 1 . . . . A 62 TRP N . 34709 1 444 . 1 . 1 47 47 ASN H H 1 7.558 0.008 . 1 . . . . A 63 ASN H . 34709 1 445 . 1 . 1 47 47 ASN HA H 1 4.376 0.011 . 1 . . . . A 63 ASN HA . 34709 1 446 . 1 . 1 47 47 ASN HB2 H 1 2.819 0.008 . 1 . . . . A 63 ASN HB2 . 34709 1 447 . 1 . 1 47 47 ASN HD21 H 1 7.026 . . 1 . . . . A 63 ASN HD21 . 34709 1 448 . 1 . 1 47 47 ASN C C 13 176.112 0.003 . 1 . . . . A 63 ASN C . 34709 1 449 . 1 . 1 47 47 ASN CA C 13 55.113 0.022 . 1 . . . . A 63 ASN CA . 34709 1 450 . 1 . 1 47 47 ASN CB C 13 39.305 0.027 . 1 . . . . A 63 ASN CB . 34709 1 451 . 1 . 1 47 47 ASN N N 15 110.433 0.0 . 1 . . . . A 63 ASN N . 34709 1 452 . 1 . 1 48 48 SER H H 1 7.609 0.001 . 1 . . . . A 64 SER H . 34709 1 453 . 1 . 1 48 48 SER HA H 1 4.469 0.004 . 1 . . . . A 64 SER HA . 34709 1 454 . 1 . 1 48 48 SER HB2 H 1 3.791 0.001 . 1 . . . . A 64 SER HB2 . 34709 1 455 . 1 . 1 48 48 SER HG H 1 7.331 . . 1 . . . . A 64 SER HG . 34709 1 456 . 1 . 1 48 48 SER C C 13 175.384 0.028 . 1 . . . . A 64 SER C . 34709 1 457 . 1 . 1 48 48 SER CA C 13 59.124 0.006 . 1 . . . . A 64 SER CA . 34709 1 458 . 1 . 1 48 48 SER CB C 13 65.665 0.067 . 1 . . . . A 64 SER CB . 34709 1 459 . 1 . 1 48 48 SER N N 15 111.754 0.0 . 1 . . . . A 64 SER N . 34709 1 460 . 1 . 1 49 49 VAL H H 1 7.953 0.009 . 1 . . . . A 65 VAL H . 34709 1 461 . 1 . 1 49 49 VAL HA H 1 4.147 0.013 . 1 . . . . A 65 VAL HA . 34709 1 462 . 1 . 1 49 49 VAL HB H 1 1.167 0.018 . 1 . . . . A 65 VAL HB . 34709 1 463 . 1 . 1 49 49 VAL HG11 H 1 0.917 . . 1 . . . . A 65 VAL HG11 . 34709 1 464 . 1 . 1 49 49 VAL HG12 H 1 0.917 . . 1 . . . . A 65 VAL HG12 . 34709 1 465 . 1 . 1 49 49 VAL HG13 H 1 0.917 . . 1 . . . . A 65 VAL HG13 . 34709 1 466 . 1 . 1 49 49 VAL C C 13 172.837 . . 1 . . . . A 65 VAL C . 34709 1 467 . 1 . 1 49 49 VAL CA C 13 58.850 0.067 . 1 . . . . A 65 VAL CA . 34709 1 468 . 1 . 1 49 49 VAL CB C 13 31.416 0.1 . 1 . . . . A 65 VAL CB . 34709 1 469 . 1 . 1 49 49 VAL CG1 C 13 18.618 0.025 . 2 . . . . A 65 VAL CG1 . 34709 1 470 . 1 . 1 49 49 VAL CG2 C 13 21.643 . . 2 . . . . A 65 VAL CG2 . 34709 1 471 . 1 . 1 49 49 VAL N N 15 125.692 0.006 . 1 . . . . A 65 VAL N . 34709 1 472 . 1 . 1 50 50 PRO HA H 1 4.497 . . 1 . . . . A 66 PRO HA . 34709 1 473 . 1 . 1 50 50 PRO HB2 H 1 2.434 0.008 . 1 . . . . A 66 PRO HB2 . 34709 1 474 . 1 . 1 50 50 PRO C C 13 177.877 . . 1 . . . . A 66 PRO C . 34709 1 475 . 1 . 1 50 50 PRO CA C 13 62.729 0.015 . 1 . . . . A 66 PRO CA . 34709 1 476 . 1 . 1 50 50 PRO CB C 13 32.211 0.035 . 1 . . . . A 66 PRO CB . 34709 1 477 . 1 . 1 50 50 PRO CG C 13 27.751 . . 1 . . . . A 66 PRO CG . 34709 1 478 . 1 . 1 50 50 PRO CD C 13 50.869 . . 1 . . . . A 66 PRO CD . 34709 1 479 . 1 . 1 51 51 LEU H H 1 9.001 0.001 . 1 . . . . A 67 LEU H . 34709 1 480 . 1 . 1 51 51 LEU C C 13 177.941 . . 1 . . . . A 67 LEU C . 34709 1 481 . 1 . 1 51 51 LEU CA C 13 56.318 . . 1 . . . . A 67 LEU CA . 34709 1 482 . 1 . 1 51 51 LEU CB C 13 46.964 . . 1 . . . . A 67 LEU CB . 34709 1 483 . 1 . 1 51 51 LEU N N 15 122.220 0.0 . 1 . . . . A 67 LEU N . 34709 1 484 . 1 . 1 52 52 LYS HB2 H 1 1.904 0.018 . 1 . . . . A 68 LYS HB2 . 34709 1 485 . 1 . 1 52 52 LYS C C 13 179.519 . . 1 . . . . A 68 LYS C . 34709 1 486 . 1 . 1 52 52 LYS CA C 13 60.414 . . 1 . . . . A 68 LYS CA . 34709 1 487 . 1 . 1 52 52 LYS CB C 13 31.974 . . 1 . . . . A 68 LYS CB . 34709 1 488 . 1 . 1 53 53 GLN H H 1 7.010 0.002 . 1 . . . . A 69 GLN H . 34709 1 489 . 1 . 1 53 53 GLN HB2 H 1 2.261 . . 1 . . . . A 69 GLN HB2 . 34709 1 490 . 1 . 1 53 53 GLN C C 13 178.862 . . 1 . . . . A 69 GLN C . 34709 1 491 . 1 . 1 53 53 GLN CA C 13 59.020 . . 1 . . . . A 69 GLN CA . 34709 1 492 . 1 . 1 53 53 GLN CB C 13 30.048 . . 1 . . . . A 69 GLN CB . 34709 1 493 . 1 . 1 53 53 GLN N N 15 117.270 0.0 . 1 . . . . A 69 GLN N . 34709 1 494 . 1 . 1 54 54 ALA H H 1 8.425 0.003 . 1 . . . . A 70 ALA H . 34709 1 495 . 1 . 1 54 54 ALA HA H 1 3.787 0.014 . 1 . . . . A 70 ALA HA . 34709 1 496 . 1 . 1 54 54 ALA HB1 H 1 1.328 0.005 . 1 . . . . A 70 ALA HB1 . 34709 1 497 . 1 . 1 54 54 ALA HB2 H 1 1.328 0.005 . 1 . . . . A 70 ALA HB2 . 34709 1 498 . 1 . 1 54 54 ALA HB3 H 1 1.328 0.005 . 1 . . . . A 70 ALA HB3 . 34709 1 499 . 1 . 1 54 54 ALA C C 13 179.124 . . 1 . . . . A 70 ALA C . 34709 1 500 . 1 . 1 54 54 ALA CA C 13 55.241 0.013 . 1 . . . . A 70 ALA CA . 34709 1 501 . 1 . 1 54 54 ALA CB C 13 20.521 0.032 . 1 . . . . A 70 ALA CB . 34709 1 502 . 1 . 1 55 55 THR H H 1 8.670 0.01 . 1 . . . . A 71 THR H . 34709 1 503 . 1 . 1 55 55 THR HA H 1 4.209 0.009 . 1 . . . . A 71 THR HA . 34709 1 504 . 1 . 1 55 55 THR HB H 1 4.195 . . 1 . . . . A 71 THR HB . 34709 1 505 . 1 . 1 55 55 THR HG21 H 1 1.253 0.02 . 1 . . . . A 71 THR HG21 . 34709 1 506 . 1 . 1 55 55 THR HG22 H 1 1.253 0.02 . 1 . . . . A 71 THR HG22 . 34709 1 507 . 1 . 1 55 55 THR HG23 H 1 1.253 0.02 . 1 . . . . A 71 THR HG23 . 34709 1 508 . 1 . 1 55 55 THR C C 13 171.979 . . 1 . . . . A 71 THR C . 34709 1 509 . 1 . 1 55 55 THR CA C 13 67.265 0.025 . 1 . . . . A 71 THR CA . 34709 1 510 . 1 . 1 55 55 THR CB C 13 68.707 0.001 . 1 . . . . A 71 THR CB . 34709 1 511 . 1 . 1 55 55 THR N N 15 113.611 0.001 . 1 . . . . A 71 THR N . 34709 1 512 . 1 . 1 56 56 ALA H H 1 7.603 0.009 . 1 . . . . A 72 ALA H . 34709 1 513 . 1 . 1 56 56 ALA HA H 1 4.075 0.008 . 1 . . . . A 72 ALA HA . 34709 1 514 . 1 . 1 56 56 ALA HB1 H 1 1.568 0.012 . 1 . . . . A 72 ALA HB1 . 34709 1 515 . 1 . 1 56 56 ALA HB2 H 1 1.568 0.012 . 1 . . . . A 72 ALA HB2 . 34709 1 516 . 1 . 1 56 56 ALA HB3 H 1 1.568 0.012 . 1 . . . . A 72 ALA HB3 . 34709 1 517 . 1 . 1 56 56 ALA C C 13 180.770 0.003 . 1 . . . . A 72 ALA C . 34709 1 518 . 1 . 1 56 56 ALA CA C 13 55.458 0.047 . 1 . . . . A 72 ALA CA . 34709 1 519 . 1 . 1 56 56 ALA CB C 13 17.920 0.022 . 1 . . . . A 72 ALA CB . 34709 1 520 . 1 . 1 56 56 ALA N N 15 123.582 0.0 . 1 . . . . A 72 ALA N . 34709 1 521 . 1 . 1 57 57 ALA H H 1 7.709 0.004 . 1 . . . . A 73 ALA H . 34709 1 522 . 1 . 1 57 57 ALA HA H 1 4.202 0.015 . 1 . . . . A 73 ALA HA . 34709 1 523 . 1 . 1 57 57 ALA HB1 H 1 1.516 0.006 . 1 . . . . A 73 ALA HB1 . 34709 1 524 . 1 . 1 57 57 ALA HB2 H 1 1.516 0.006 . 1 . . . . A 73 ALA HB2 . 34709 1 525 . 1 . 1 57 57 ALA HB3 H 1 1.516 0.006 . 1 . . . . A 73 ALA HB3 . 34709 1 526 . 1 . 1 57 57 ALA C C 13 179.301 . . 1 . . . . A 73 ALA C . 34709 1 527 . 1 . 1 57 57 ALA CA C 13 54.952 0.071 . 1 . . . . A 73 ALA CA . 34709 1 528 . 1 . 1 57 57 ALA CB C 13 18.297 0.024 . 1 . . . . A 73 ALA CB . 34709 1 529 . 1 . 1 57 57 ALA N N 15 120.669 0.0 . 1 . . . . A 73 ALA N . 34709 1 530 . 1 . 1 58 58 LEU H H 1 8.071 0.008 . 1 . . . . A 74 LEU H . 34709 1 531 . 1 . 1 58 58 LEU HA H 1 3.877 0.0 . 1 . . . . A 74 LEU HA . 34709 1 532 . 1 . 1 58 58 LEU HB2 H 1 1.897 . . 1 . . . . A 74 LEU HB2 . 34709 1 533 . 1 . 1 58 58 LEU HG H 1 1.124 0.0 . 1 . . . . A 74 LEU HG . 34709 1 534 . 1 . 1 58 58 LEU C C 13 178.802 . . 1 . . . . A 74 LEU C . 34709 1 535 . 1 . 1 58 58 LEU CA C 13 58.691 0.043 . 1 . . . . A 74 LEU CA . 34709 1 536 . 1 . 1 58 58 LEU CB C 13 41.988 0.038 . 1 . . . . A 74 LEU CB . 34709 1 537 . 1 . 1 58 58 LEU CG C 13 27.342 . . 1 . . . . A 74 LEU CG . 34709 1 538 . 1 . 1 58 58 LEU CD1 C 13 25.375 . . 2 . . . . A 74 LEU CD1 . 34709 1 539 . 1 . 1 58 58 LEU CD2 C 13 23.740 . . 2 . . . . A 74 LEU CD2 . 34709 1 540 . 1 . 1 58 58 LEU N N 15 117.174 0.0 . 1 . . . . A 74 LEU N . 34709 1 541 . 1 . 1 59 59 ARG H H 1 7.673 0.001 . 1 . . . . A 75 ARG H . 34709 1 542 . 1 . 1 59 59 ARG HA H 1 4.052 0.012 . 1 . . . . A 75 ARG HA . 34709 1 543 . 1 . 1 59 59 ARG HB2 H 1 2.144 . . 1 . . . . A 75 ARG HB2 . 34709 1 544 . 1 . 1 59 59 ARG HG2 H 1 1.726 . . 1 . . . . A 75 ARG HG2 . 34709 1 545 . 1 . 1 59 59 ARG HD2 H 1 3.137 . . 1 . . . . A 75 ARG HD2 . 34709 1 546 . 1 . 1 59 59 ARG C C 13 180.606 . . 1 . . . . A 75 ARG C . 34709 1 547 . 1 . 1 59 59 ARG CA C 13 58.022 0.024 . 1 . . . . A 75 ARG CA . 34709 1 548 . 1 . 1 59 59 ARG CB C 13 31.810 0.006 . 1 . . . . A 75 ARG CB . 34709 1 549 . 1 . 1 59 59 ARG CG C 13 27.154 . . 1 . . . . A 75 ARG CG . 34709 1 550 . 1 . 1 59 59 ARG N N 15 115.748 0.0 . 1 . . . . A 75 ARG N . 34709 1 551 . 1 . 1 60 60 LYS H H 1 8.534 0.001 . 1 . . . . A 76 LYS H . 34709 1 552 . 1 . 1 61 61 ILE H H 1 8.382 0.001 . 1 . . . . A 77 ILE H . 34709 1 553 . 1 . 1 61 61 ILE HA H 1 3.422 0.007 . 1 . . . . A 77 ILE HA . 34709 1 554 . 1 . 1 61 61 ILE HB H 1 1.974 0.008 . 1 . . . . A 77 ILE HB . 34709 1 555 . 1 . 1 61 61 ILE HG21 H 1 0.875 0.004 . 1 . . . . A 77 ILE HG21 . 34709 1 556 . 1 . 1 61 61 ILE HG22 H 1 0.875 0.004 . 1 . . . . A 77 ILE HG22 . 34709 1 557 . 1 . 1 61 61 ILE HG23 H 1 0.875 0.004 . 1 . . . . A 77 ILE HG23 . 34709 1 558 . 1 . 1 61 61 ILE HD11 H 1 0.770 0.008 . 1 . . . . A 77 ILE HD11 . 34709 1 559 . 1 . 1 61 61 ILE HD12 H 1 0.770 0.008 . 1 . . . . A 77 ILE HD12 . 34709 1 560 . 1 . 1 61 61 ILE HD13 H 1 0.770 0.008 . 1 . . . . A 77 ILE HD13 . 34709 1 561 . 1 . 1 61 61 ILE CA C 13 66.963 0.056 . 1 . . . . A 77 ILE CA . 34709 1 562 . 1 . 1 61 61 ILE CB C 13 38.254 0.038 . 1 . . . . A 77 ILE CB . 34709 1 563 . 1 . 1 61 61 ILE CG1 C 13 29.612 0.044 . 1 . . . . A 77 ILE CG1 . 34709 1 564 . 1 . 1 61 61 ILE CG2 C 13 18.569 0.024 . 1 . . . . A 77 ILE CG2 . 34709 1 565 . 1 . 1 61 61 ILE CD1 C 13 13.812 0.03 . 1 . . . . A 77 ILE CD1 . 34709 1 566 . 1 . 1 62 62 LYS H H 1 8.959 0.0 . 1 . . . . A 78 LYS H . 34709 1 567 . 1 . 1 62 62 LYS HA H 1 4.023 0.001 . 1 . . . . A 78 LYS HA . 34709 1 568 . 1 . 1 62 62 LYS HB2 H 1 2.200 0.001 . 1 . . . . A 78 LYS HB2 . 34709 1 569 . 1 . 1 62 62 LYS HG2 H 1 1.007 0.001 . 1 . . . . A 78 LYS HG2 . 34709 1 570 . 1 . 1 62 62 LYS C C 13 178.543 . . 1 . . . . A 78 LYS C . 34709 1 571 . 1 . 1 62 62 LYS CA C 13 60.351 0.244 . 1 . . . . A 78 LYS CA . 34709 1 572 . 1 . 1 62 62 LYS CB C 13 32.669 0.2 . 1 . . . . A 78 LYS CB . 34709 1 573 . 1 . 1 62 62 LYS CG C 13 25.443 . . 1 . . . . A 78 LYS CG . 34709 1 574 . 1 . 1 62 62 LYS CD C 13 29.510 . . 1 . . . . A 78 LYS CD . 34709 1 575 . 1 . 1 62 62 LYS CE C 13 41.924 . . 1 . . . . A 78 LYS CE . 34709 1 576 . 1 . 1 62 62 LYS N N 15 121.432 0.002 . 1 . . . . A 78 LYS N . 34709 1 577 . 1 . 1 63 63 ARG H H 1 8.371 0.001 . 1 . . . . A 79 ARG H . 34709 1 578 . 1 . 1 63 63 ARG C C 13 179.613 . . 1 . . . . A 79 ARG C . 34709 1 579 . 1 . 1 63 63 ARG CA C 13 59.464 . . 1 . . . . A 79 ARG CA . 34709 1 580 . 1 . 1 63 63 ARG N N 15 117.890 0.026 . 1 . . . . A 79 ARG N . 34709 1 581 . 1 . 1 64 64 THR HA H 1 4.485 . . 1 . . . . A 80 THR HA . 34709 1 582 . 1 . 1 64 64 THR HG21 H 1 1.115 0.003 . 1 . . . . A 80 THR HG21 . 34709 1 583 . 1 . 1 64 64 THR HG22 H 1 1.115 0.003 . 1 . . . . A 80 THR HG22 . 34709 1 584 . 1 . 1 64 64 THR HG23 H 1 1.115 0.003 . 1 . . . . A 80 THR HG23 . 34709 1 585 . 1 . 1 64 64 THR CA C 13 59.536 . . 1 . . . . A 80 THR CA . 34709 1 586 . 1 . 1 64 64 THR CB C 13 71.947 . . 1 . . . . A 80 THR CB . 34709 1 587 . 1 . 1 64 64 THR CG2 C 13 22.394 0.007 . 1 . . . . A 80 THR CG2 . 34709 1 588 . 1 . 1 67 67 ALA H H 1 7.899 0.005 . 1 . . . . A 83 ALA H . 34709 1 589 . 1 . 1 67 67 ALA HA H 1 4.255 0.012 . 1 . . . . A 83 ALA HA . 34709 1 590 . 1 . 1 67 67 ALA HB1 H 1 1.530 . . 1 . . . . A 83 ALA HB1 . 34709 1 591 . 1 . 1 67 67 ALA HB2 H 1 1.530 . . 1 . . . . A 83 ALA HB2 . 34709 1 592 . 1 . 1 67 67 ALA HB3 H 1 1.530 . . 1 . . . . A 83 ALA HB3 . 34709 1 593 . 1 . 1 68 68 LEU H H 1 8.469 0.0 . 1 . . . . A 84 LEU H . 34709 1 594 . 1 . 1 68 68 LEU HA H 1 4.234 0.01 . 1 . . . . A 84 LEU HA . 34709 1 595 . 1 . 1 68 68 LEU HB2 H 1 1.545 0.005 . 1 . . . . A 84 LEU HB2 . 34709 1 596 . 1 . 1 68 68 LEU HG H 1 0.842 0.005 . 1 . . . . A 84 LEU HG . 34709 1 597 . 1 . 1 68 68 LEU HD11 H 1 0.646 0.001 . 2 . . . . A 84 LEU HD11 . 34709 1 598 . 1 . 1 68 68 LEU HD12 H 1 0.646 0.001 . 2 . . . . A 84 LEU HD12 . 34709 1 599 . 1 . 1 68 68 LEU HD13 H 1 0.646 0.001 . 2 . . . . A 84 LEU HD13 . 34709 1 600 . 1 . 1 68 68 LEU HD21 H 1 0.873 . . 2 . . . . A 84 LEU HD21 . 34709 1 601 . 1 . 1 68 68 LEU HD22 H 1 0.873 . . 2 . . . . A 84 LEU HD22 . 34709 1 602 . 1 . 1 68 68 LEU HD23 H 1 0.873 . . 2 . . . . A 84 LEU HD23 . 34709 1 603 . 1 . 1 68 68 LEU C C 13 178.743 . . 1 . . . . A 84 LEU C . 34709 1 604 . 1 . 1 68 68 LEU CA C 13 57.904 0.036 . 1 . . . . A 84 LEU CA . 34709 1 605 . 1 . 1 68 68 LEU CB C 13 42.338 0.014 . 1 . . . . A 84 LEU CB . 34709 1 606 . 1 . 1 68 68 LEU CG C 13 26.954 0.053 . 1 . . . . A 84 LEU CG . 34709 1 607 . 1 . 1 68 68 LEU CD2 C 13 22.410 0.013 . 1 . . . . A 84 LEU CD2 . 34709 1 608 . 1 . 1 69 69 MET H H 1 8.165 0.006 . 1 . . . . A 85 MET H . 34709 1 609 . 1 . 1 69 69 MET HA H 1 3.972 0.016 . 1 . . . . A 85 MET HA . 34709 1 610 . 1 . 1 69 69 MET HB2 H 1 2.366 0.008 . 1 . . . . A 85 MET HB2 . 34709 1 611 . 1 . 1 69 69 MET HG2 H 1 2.554 0.003 . 1 . . . . A 85 MET HG2 . 34709 1 612 . 1 . 1 69 69 MET C C 13 178.962 0.004 . 1 . . . . A 85 MET C . 34709 1 613 . 1 . 1 69 69 MET CA C 13 60.117 0.04 . 1 . . . . A 85 MET CA . 34709 1 614 . 1 . 1 69 69 MET CB C 13 33.059 . . 1 . . . . A 85 MET CB . 34709 1 615 . 1 . 1 69 69 MET N N 15 118.831 0.018 . 1 . . . . A 85 MET N . 34709 1 616 . 1 . 1 70 70 VAL H H 1 7.605 0.004 . 1 . . . . A 86 VAL H . 34709 1 617 . 1 . 1 70 70 VAL HA H 1 3.751 0.022 . 1 . . . . A 86 VAL HA . 34709 1 618 . 1 . 1 70 70 VAL HB H 1 2.171 0.008 . 1 . . . . A 86 VAL HB . 34709 1 619 . 1 . 1 70 70 VAL HG11 H 1 1.088 0.004 . 2 . . . . A 86 VAL HG11 . 34709 1 620 . 1 . 1 70 70 VAL HG12 H 1 1.088 0.004 . 2 . . . . A 86 VAL HG12 . 34709 1 621 . 1 . 1 70 70 VAL HG13 H 1 1.088 0.004 . 2 . . . . A 86 VAL HG13 . 34709 1 622 . 1 . 1 70 70 VAL HG21 H 1 0.970 0.001 . 2 . . . . A 86 VAL HG21 . 34709 1 623 . 1 . 1 70 70 VAL HG22 H 1 0.970 0.001 . 2 . . . . A 86 VAL HG22 . 34709 1 624 . 1 . 1 70 70 VAL HG23 H 1 0.970 0.001 . 2 . . . . A 86 VAL HG23 . 34709 1 625 . 1 . 1 70 70 VAL C C 13 179.039 0.013 . 1 . . . . A 86 VAL C . 34709 1 626 . 1 . 1 70 70 VAL CA C 13 66.187 0.037 . 1 . . . . A 86 VAL CA . 34709 1 627 . 1 . 1 70 70 VAL CB C 13 31.890 0.097 . 1 . . . . A 86 VAL CB . 34709 1 628 . 1 . 1 70 70 VAL CG1 C 13 22.538 0.003 . 1 . . . . A 86 VAL CG1 . 34709 1 629 . 1 . 1 70 70 VAL CG2 C 13 21.291 0.009 . 1 . . . . A 86 VAL CG2 . 34709 1 630 . 1 . 1 70 70 VAL N N 15 119.337 0.0 . 1 . . . . A 86 VAL N . 34709 1 631 . 1 . 1 71 71 GLY H H 1 8.435 0.004 . 1 . . . . A 87 GLY H . 34709 1 632 . 1 . 1 71 71 GLY HA2 H 1 3.919 0.006 . 1 . . . . A 87 GLY HA2 . 34709 1 633 . 1 . 1 71 71 GLY C C 13 177.654 . . 1 . . . . A 87 GLY C . 34709 1 634 . 1 . 1 71 71 GLY CA C 13 47.425 0.04 . 1 . . . . A 87 GLY CA . 34709 1 635 . 1 . 1 71 71 GLY N N 15 108.264 0.016 . 1 . . . . A 87 GLY N . 34709 1 636 . 1 . 1 72 72 LEU H H 1 8.434 0.008 . 1 . . . . A 88 LEU H . 34709 1 637 . 1 . 1 72 72 LEU HA H 1 4.285 0.013 . 1 . . . . A 88 LEU HA . 34709 1 638 . 1 . 1 72 72 LEU HB2 H 1 1.568 0.0 . 2 . . . . A 88 LEU HB2 . 34709 1 639 . 1 . 1 72 72 LEU HB3 H 1 1.791 0.002 . 2 . . . . A 88 LEU HB3 . 34709 1 640 . 1 . 1 72 72 LEU HG H 1 0.503 0.003 . 1 . . . . A 88 LEU HG . 34709 1 641 . 1 . 1 72 72 LEU HD11 H 1 1.005 0.001 . 2 . . . . A 88 LEU HD11 . 34709 1 642 . 1 . 1 72 72 LEU HD12 H 1 1.005 0.001 . 2 . . . . A 88 LEU HD12 . 34709 1 643 . 1 . 1 72 72 LEU HD13 H 1 1.005 0.001 . 2 . . . . A 88 LEU HD13 . 34709 1 644 . 1 . 1 72 72 LEU HD21 H 1 0.697 . . 2 . . . . A 88 LEU HD21 . 34709 1 645 . 1 . 1 72 72 LEU HD22 H 1 0.697 . . 2 . . . . A 88 LEU HD22 . 34709 1 646 . 1 . 1 72 72 LEU HD23 H 1 0.697 . . 2 . . . . A 88 LEU HD23 . 34709 1 647 . 1 . 1 72 72 LEU C C 13 179.183 . . 1 . . . . A 88 LEU C . 34709 1 648 . 1 . 1 72 72 LEU CA C 13 57.593 0.016 . 1 . . . . A 88 LEU CA . 34709 1 649 . 1 . 1 72 72 LEU CB C 13 42.527 0.044 . 1 . . . . A 88 LEU CB . 34709 1 650 . 1 . 1 72 72 LEU CG C 13 26.323 0.027 . 1 . . . . A 88 LEU CG . 34709 1 651 . 1 . 1 72 72 LEU CD2 C 13 23.111 . . 1 . . . . A 88 LEU CD2 . 34709 1 652 . 1 . 1 73 73 GLN H H 1 7.545 0.004 . 1 . . . . A 89 GLN H . 34709 1 653 . 1 . 1 73 73 GLN HA H 1 4.002 0.01 . 1 . . . . A 89 GLN HA . 34709 1 654 . 1 . 1 73 73 GLN HB2 H 1 2.265 0.009 . 1 . . . . A 89 GLN HB2 . 34709 1 655 . 1 . 1 73 73 GLN HG2 H 1 2.434 0.019 . 2 . . . . A 89 GLN HG2 . 34709 1 656 . 1 . 1 73 73 GLN HG3 H 1 2.550 0.013 . 2 . . . . A 89 GLN HG3 . 34709 1 657 . 1 . 1 73 73 GLN HE21 H 1 7.389 . . 1 . . . . A 89 GLN HE21 . 34709 1 658 . 1 . 1 73 73 GLN HE22 H 1 6.863 . . 1 . . . . A 89 GLN HE22 . 34709 1 659 . 1 . 1 73 73 GLN C C 13 177.651 0.006 . 1 . . . . A 89 GLN C . 34709 1 660 . 1 . 1 73 73 GLN CA C 13 57.919 0.036 . 1 . . . . A 89 GLN CA . 34709 1 661 . 1 . 1 73 73 GLN CB C 13 28.343 0.051 . 1 . . . . A 89 GLN CB . 34709 1 662 . 1 . 1 73 73 GLN CG C 13 34.017 0.009 . 1 . . . . A 89 GLN CG . 34709 1 663 . 1 . 1 73 73 GLN N N 15 116.379 0.0 . 1 . . . . A 89 GLN N . 34709 1 664 . 1 . 1 74 74 LYS H H 1 7.618 0.003 . 1 . . . . A 90 LYS H . 34709 1 665 . 1 . 1 74 74 LYS HA H 1 4.323 . . 1 . . . . A 90 LYS HA . 34709 1 666 . 1 . 1 74 74 LYS HB2 H 1 1.851 0.015 . 1 . . . . A 90 LYS HB2 . 34709 1 667 . 1 . 1 74 74 LYS HE2 H 1 2.915 . . 1 . . . . A 90 LYS HE2 . 34709 1 668 . 1 . 1 74 74 LYS C C 13 176.776 0.01 . 1 . . . . A 90 LYS C . 34709 1 669 . 1 . 1 74 74 LYS CA C 13 56.375 0.005 . 1 . . . . A 90 LYS CA . 34709 1 670 . 1 . 1 74 74 LYS CB C 13 32.464 0.02 . 1 . . . . A 90 LYS CB . 34709 1 671 . 1 . 1 74 74 LYS N N 15 117.150 0.0 . 1 . . . . A 90 LYS N . 34709 1 672 . 1 . 1 75 75 ARG H H 1 7.265 0.012 . 1 . . . . A 91 ARG H . 34709 1 673 . 1 . 1 75 75 ARG HA H 1 4.143 0.017 . 1 . . . . A 91 ARG HA . 34709 1 674 . 1 . 1 75 75 ARG HB2 H 1 1.885 0.005 . 1 . . . . A 91 ARG HB2 . 34709 1 675 . 1 . 1 75 75 ARG HG2 H 1 1.594 0.015 . 1 . . . . A 91 ARG HG2 . 34709 1 676 . 1 . 1 75 75 ARG C C 13 177.550 0.004 . 1 . . . . A 91 ARG C . 34709 1 677 . 1 . 1 75 75 ARG CA C 13 58.237 0.003 . 1 . . . . A 91 ARG CA . 34709 1 678 . 1 . 1 75 75 ARG CB C 13 30.743 0.042 . 1 . . . . A 91 ARG CB . 34709 1 679 . 1 . 1 75 75 ARG N N 15 120.383 0.0 . 1 . . . . A 91 ARG N . 34709 1 680 . 1 . 1 76 76 GLY H H 1 8.427 0.005 . 1 . . . . A 92 GLY H . 34709 1 681 . 1 . 1 76 76 GLY HA2 H 1 4.000 0.001 . 2 . . . . A 92 GLY HA2 . 34709 1 682 . 1 . 1 76 76 GLY HA3 H 1 3.893 0.006 . 2 . . . . A 92 GLY HA3 . 34709 1 683 . 1 . 1 76 76 GLY C C 13 173.992 0.013 . 1 . . . . A 92 GLY C . 34709 1 684 . 1 . 1 76 76 GLY CA C 13 45.212 0.019 . 1 . . . . A 92 GLY CA . 34709 1 685 . 1 . 1 76 76 GLY N N 15 108.224 0.015 . 1 . . . . A 92 GLY N . 34709 1 686 . 1 . 1 77 77 LYS H H 1 8.115 0.012 . 1 . . . . A 93 LYS H . 34709 1 687 . 1 . 1 77 77 LYS HA H 1 4.771 0.009 . 1 . . . . A 93 LYS HA . 34709 1 688 . 1 . 1 77 77 LYS HB2 H 1 1.778 . . 1 . . . . A 93 LYS HB2 . 34709 1 689 . 1 . 1 77 77 LYS HD2 H 1 1.319 0.0 . 1 . . . . A 93 LYS HD2 . 34709 1 690 . 1 . 1 77 77 LYS HE2 H 1 2.935 0.0 . 1 . . . . A 93 LYS HE2 . 34709 1 691 . 1 . 1 77 77 LYS HZ1 H 1 7.802 . . 1 . . . . A 93 LYS HZ1 . 34709 1 692 . 1 . 1 77 77 LYS HZ2 H 1 7.802 . . 1 . . . . A 93 LYS HZ2 . 34709 1 693 . 1 . 1 77 77 LYS HZ3 H 1 7.802 . . 1 . . . . A 93 LYS HZ3 . 34709 1 694 . 1 . 1 77 77 LYS C C 13 180.488 . . 1 . . . . A 93 LYS C . 34709 1 695 . 1 . 1 77 77 LYS CB C 13 33.076 . . 1 . . . . A 93 LYS CB . 34709 1 696 . 1 . 1 77 77 LYS N N 15 120.891 0.003 . 1 . . . . A 93 LYS N . 34709 1 697 . 1 . 1 78 78 ARG H H 1 8.620 . . 1 . . . . A 94 ARG H . 34709 1 698 . 1 . 1 78 78 ARG HA H 1 4.290 . . 1 . . . . A 94 ARG HA . 34709 1 699 . 1 . 1 78 78 ARG HH21 H 1 6.809 . . 1 . . . . A 94 ARG HH21 . 34709 1 stop_ save_