################################### # 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 51699 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'pH 7.5 chemical shifts' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 51699 1 2 '2D 1H-15N HSQC' . . . 51699 1 3 '2D 1H-13C HSQC' . . . 51699 1 4 '2D 1H-13C HSQC' . . . 51699 1 5 '3D HNCA' . . . 51699 1 6 '3D HNCO' . . . 51699 1 7 '3D CBCA(CO)NH' . . . 51699 1 8 '3D HBHA(CO)NH' . . . 51699 1 9 '3D CBCANH' . . . 51699 1 10 '3D CCCONH' . . . 51699 1 11 '3D HCCCONH' . . . 51699 1 12 '3D HCCH-TOCSY' . . . 51699 1 13 '3D HNCACO' . . . 51699 1 15 '3D 1H-15N TOCSY' . . . 51699 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 $software_3 . . 51699 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 2 2 ALA H H 1 8.247 0.002 . 1 . . . . . 751 ALA H . 51699 1 2 . 1 . 1 2 2 ALA HA H 1 4.355 0.007 . 1 . . . . . 751 ALA HA . 51699 1 3 . 1 . 1 2 2 ALA HB1 H 1 1.357 0.006 . 1 . . . . . 751 ALA HB1 . 51699 1 4 . 1 . 1 2 2 ALA HB2 H 1 1.357 0.006 . 1 . . . . . 751 ALA HB2 . 51699 1 5 . 1 . 1 2 2 ALA HB3 H 1 1.357 0.006 . 1 . . . . . 751 ALA HB3 . 51699 1 6 . 1 . 1 2 2 ALA C C 13 174.958 0.000 . 1 . . . . . 751 ALA C . 51699 1 7 . 1 . 1 2 2 ALA CA C 13 52.577 0.071 . 1 . . . . . 751 ALA CA . 51699 1 8 . 1 . 1 2 2 ALA CB C 13 19.383 0.090 . 1 . . . . . 751 ALA CB . 51699 1 9 . 1 . 1 2 2 ALA N N 15 125.366 0.011 . 1 . . . . . 751 ALA N . 51699 1 10 . 1 . 1 3 3 ILE H H 1 8.119 0.003 . 1 . . . . . 752 ILE H . 51699 1 11 . 1 . 1 3 3 ILE HA H 1 4.119 0.009 . 1 . . . . . 752 ILE HA . 51699 1 12 . 1 . 1 3 3 ILE HB H 1 1.792 0.009 . 1 . . . . . 752 ILE HB . 51699 1 13 . 1 . 1 3 3 ILE HG12 H 1 1.409 0.004 . 2 . . . . . 752 ILE HG12 . 51699 1 14 . 1 . 1 3 3 ILE HG13 H 1 1.132 0.005 . 2 . . . . . 752 ILE HG13 . 51699 1 15 . 1 . 1 3 3 ILE HG21 H 1 0.835 0.011 . 1 . . . . . 752 ILE HG21 . 51699 1 16 . 1 . 1 3 3 ILE HG22 H 1 0.835 0.011 . 1 . . . . . 752 ILE HG22 . 51699 1 17 . 1 . 1 3 3 ILE HG23 H 1 0.835 0.011 . 1 . . . . . 752 ILE HG23 . 51699 1 18 . 1 . 1 3 3 ILE HD11 H 1 0.816 0.007 . 1 . . . . . 752 ILE HD11 . 51699 1 19 . 1 . 1 3 3 ILE HD12 H 1 0.816 0.007 . 1 . . . . . 752 ILE HD12 . 51699 1 20 . 1 . 1 3 3 ILE HD13 H 1 0.816 0.007 . 1 . . . . . 752 ILE HD13 . 51699 1 21 . 1 . 1 3 3 ILE C C 13 173.121 0.005 . 1 . . . . . 752 ILE C . 51699 1 22 . 1 . 1 3 3 ILE CA C 13 61.156 0.046 . 1 . . . . . 752 ILE CA . 51699 1 23 . 1 . 1 3 3 ILE CB C 13 38.793 0.058 . 1 . . . . . 752 ILE CB . 51699 1 24 . 1 . 1 3 3 ILE CG1 C 13 27.254 0.050 . 1 . . . . . 752 ILE CG1 . 51699 1 25 . 1 . 1 3 3 ILE CG2 C 13 17.430 0.007 . 1 . . . . . 752 ILE CG2 . 51699 1 26 . 1 . 1 3 3 ILE CD1 C 13 12.860 0.028 . 1 . . . . . 752 ILE CD1 . 51699 1 27 . 1 . 1 3 3 ILE N N 15 119.749 0.114 . 1 . . . . . 752 ILE N . 51699 1 28 . 1 . 1 4 4 ASN H H 1 8.450 0.009 . 1 . . . . . 753 ASN H . 51699 1 29 . 1 . 1 4 4 ASN HA H 1 4.691 0.021 . 1 . . . . . 753 ASN HA . 51699 1 30 . 1 . 1 4 4 ASN HB2 H 1 2.808 0.012 . 2 . . . . . 753 ASN HB2 . 51699 1 31 . 1 . 1 4 4 ASN HB3 H 1 2.703 0.005 . 2 . . . . . 753 ASN HB3 . 51699 1 32 . 1 . 1 4 4 ASN C C 13 171.811 0.006 . 1 . . . . . 753 ASN C . 51699 1 33 . 1 . 1 4 4 ASN CA C 13 52.994 0.025 . 1 . . . . . 753 ASN CA . 51699 1 34 . 1 . 1 4 4 ASN CB C 13 38.920 0.004 . 1 . . . . . 753 ASN CB . 51699 1 35 . 1 . 1 4 4 ASN N N 15 122.611 0.190 . 1 . . . . . 753 ASN N . 51699 1 36 . 1 . 1 5 5 ASN H H 1 8.392 0.003 . 1 . . . . . 754 ASN H . 51699 1 37 . 1 . 1 5 5 ASN C C 13 171.240 0.000 . 1 . . . . . 754 ASN C . 51699 1 38 . 1 . 1 5 5 ASN CA C 13 53.209 0.063 . 1 . . . . . 754 ASN CA . 51699 1 39 . 1 . 1 5 5 ASN CB C 13 39.219 0.000 . 1 . . . . . 754 ASN CB . 51699 1 40 . 1 . 1 5 5 ASN N N 15 120.362 0.177 . 1 . . . . . 754 ASN N . 51699 1 41 . 1 . 1 6 6 ASN HA H 1 4.971 0.005 . 1 . . . . . 755 ASN HA . 51699 1 42 . 1 . 1 6 6 ASN HB2 H 1 2.919 0.008 . 2 . . . . . 755 ASN HB2 . 51699 1 43 . 1 . 1 6 6 ASN HB3 H 1 2.639 0.008 . 2 . . . . . 755 ASN HB3 . 51699 1 44 . 1 . 1 6 6 ASN C C 13 173.596 0.000 . 1 . . . . . 755 ASN C . 51699 1 45 . 1 . 1 6 6 ASN CA C 13 52.021 0.036 . 1 . . . . . 755 ASN CA . 51699 1 46 . 1 . 1 6 6 ASN CB C 13 37.706 0.020 . 1 . . . . . 755 ASN CB . 51699 1 47 . 1 . 1 7 7 GLU H H 1 8.979 0.006 . 1 . . . . . 756 GLU H . 51699 1 48 . 1 . 1 7 7 GLU HA H 1 3.987 0.009 . 1 . . . . . 756 GLU HA . 51699 1 49 . 1 . 1 7 7 GLU HB2 H 1 1.998 0.003 . 2 . . . . . 756 GLU HB2 . 51699 1 50 . 1 . 1 7 7 GLU HB3 H 1 1.848 0.000 . 2 . . . . . 756 GLU HB3 . 51699 1 51 . 1 . 1 7 7 GLU HG2 H 1 2.220 0.001 . 1 . . . . . 756 GLU HG2 . 51699 1 52 . 1 . 1 7 7 GLU C C 13 175.490 0.007 . 1 . . . . . 756 GLU C . 51699 1 53 . 1 . 1 7 7 GLU CA C 13 59.362 0.029 . 1 . . . . . 756 GLU CA . 51699 1 54 . 1 . 1 7 7 GLU CB C 13 29.730 0.055 . 1 . . . . . 756 GLU CB . 51699 1 55 . 1 . 1 7 7 GLU CG C 13 36.354 0.000 . 1 . . . . . 756 GLU CG . 51699 1 56 . 1 . 1 7 7 GLU N N 15 124.080 0.163 . 1 . . . . . 756 GLU N . 51699 1 57 . 1 . 1 8 8 CYS H H 1 8.680 0.009 . 1 . . . . . 757 CYS H . 51699 1 58 . 1 . 1 8 8 CYS HA H 1 4.239 0.000 . 1 . . . . . 757 CYS HA . 51699 1 59 . 1 . 1 8 8 CYS HB2 H 1 3.061 0.000 . 1 . . . . . 757 CYS HB2 . 51699 1 60 . 1 . 1 8 8 CYS C C 13 174.747 0.002 . 1 . . . . . 757 CYS C . 51699 1 61 . 1 . 1 8 8 CYS CA C 13 54.998 0.092 . 1 . . . . . 757 CYS CA . 51699 1 62 . 1 . 1 8 8 CYS CB C 13 36.499 0.000 . 1 . . . . . 757 CYS CB . 51699 1 63 . 1 . 1 8 8 CYS N N 15 114.933 0.102 . 1 . . . . . 757 CYS N . 51699 1 64 . 1 . 1 9 9 GLU H H 1 7.680 0.011 . 1 . . . . . 758 GLU H . 51699 1 65 . 1 . 1 9 9 GLU C C 13 174.133 0.000 . 1 . . . . . 758 GLU C . 51699 1 66 . 1 . 1 9 9 GLU CA C 13 59.083 0.000 . 1 . . . . . 758 GLU CA . 51699 1 67 . 1 . 1 9 9 GLU CB C 13 29.389 0.000 . 1 . . . . . 758 GLU CB . 51699 1 68 . 1 . 1 9 9 GLU N N 15 122.125 0.116 . 1 . . . . . 758 GLU N . 51699 1 69 . 1 . 1 10 10 SER HA H 1 4.372 0.007 . 1 . . . . . 759 SER HA . 51699 1 70 . 1 . 1 10 10 SER HB2 H 1 3.823 0.000 . 2 . . . . . 759 SER HB2 . 51699 1 71 . 1 . 1 10 10 SER HB3 H 1 3.764 0.000 . 2 . . . . . 759 SER HB3 . 51699 1 72 . 1 . 1 10 10 SER C C 13 170.691 0.000 . 1 . . . . . 759 SER C . 51699 1 73 . 1 . 1 10 10 SER CA C 13 57.909 0.046 . 1 . . . . . 759 SER CA . 51699 1 74 . 1 . 1 10 10 SER CB C 13 63.690 0.000 . 1 . . . . . 759 SER CB . 51699 1 75 . 1 . 1 11 11 ASN H H 1 7.847 0.004 . 1 . . . . . 760 ASN H . 51699 1 76 . 1 . 1 11 11 ASN C C 13 169.682 0.000 . 1 . . . . . 760 ASN C . 51699 1 77 . 1 . 1 11 11 ASN CA C 13 53.627 0.000 . 1 . . . . . 760 ASN CA . 51699 1 78 . 1 . 1 11 11 ASN CB C 13 37.755 0.000 . 1 . . . . . 760 ASN CB . 51699 1 79 . 1 . 1 11 11 ASN N N 15 116.836 0.142 . 1 . . . . . 760 ASN N . 51699 1 80 . 1 . 1 12 12 PRO HA H 1 4.221 0.005 . 1 . . . . . 761 PRO HA . 51699 1 81 . 1 . 1 12 12 PRO HB2 H 1 1.677 0.004 . 2 . . . . . 761 PRO HB2 . 51699 1 82 . 1 . 1 12 12 PRO HB3 H 1 1.562 0.001 . 2 . . . . . 761 PRO HB3 . 51699 1 83 . 1 . 1 12 12 PRO HG2 H 1 1.345 0.001 . 1 . . . . . 761 PRO HG2 . 51699 1 84 . 1 . 1 12 12 PRO C C 13 174.013 0.000 . 1 . . . . . 761 PRO C . 51699 1 85 . 1 . 1 12 12 PRO CA C 13 64.004 0.052 . 1 . . . . . 761 PRO CA . 51699 1 86 . 1 . 1 12 12 PRO CB C 13 32.089 0.024 . 1 . . . . . 761 PRO CB . 51699 1 87 . 1 . 1 12 12 PRO CG C 13 26.590 0.000 . 1 . . . . . 761 PRO CG . 51699 1 88 . 1 . 1 12 12 PRO CD C 13 45.114 0.000 . 1 . . . . . 761 PRO CD . 51699 1 89 . 1 . 1 13 13 CYS H H 1 7.745 0.006 . 1 . . . . . 762 CYS H . 51699 1 90 . 1 . 1 13 13 CYS HA H 1 4.565 0.010 . 1 . . . . . 762 CYS HA . 51699 1 91 . 1 . 1 13 13 CYS HB2 H 1 2.325 0.016 . 2 . . . . . 762 CYS HB2 . 51699 1 92 . 1 . 1 13 13 CYS HB3 H 1 2.702 0.020 . 2 . . . . . 762 CYS HB3 . 51699 1 93 . 1 . 1 13 13 CYS C C 13 171.878 0.034 . 1 . . . . . 762 CYS C . 51699 1 94 . 1 . 1 13 13 CYS CA C 13 52.746 0.023 . 1 . . . . . 762 CYS CA . 51699 1 95 . 1 . 1 13 13 CYS CB C 13 37.221 0.054 . 1 . . . . . 762 CYS CB . 51699 1 96 . 1 . 1 13 13 CYS N N 15 118.898 0.132 . 1 . . . . . 762 CYS N . 51699 1 97 . 1 . 1 14 14 VAL H H 1 8.099 0.011 . 1 . . . . . 763 VAL H . 51699 1 98 . 1 . 1 14 14 VAL HA H 1 4.412 0.012 . 1 . . . . . 763 VAL HA . 51699 1 99 . 1 . 1 14 14 VAL HB H 1 2.221 0.001 . 1 . . . . . 763 VAL HB . 51699 1 100 . 1 . 1 14 14 VAL HG11 H 1 0.702 0.009 . 2 . . . . . 763 VAL HG11 . 51699 1 101 . 1 . 1 14 14 VAL HG12 H 1 0.702 0.009 . 2 . . . . . 763 VAL HG12 . 51699 1 102 . 1 . 1 14 14 VAL HG13 H 1 0.702 0.009 . 2 . . . . . 763 VAL HG13 . 51699 1 103 . 1 . 1 14 14 VAL HG21 H 1 0.853 0.002 . 2 . . . . . 763 VAL HG21 . 51699 1 104 . 1 . 1 14 14 VAL HG22 H 1 0.853 0.002 . 2 . . . . . 763 VAL HG22 . 51699 1 105 . 1 . 1 14 14 VAL HG23 H 1 0.853 0.002 . 2 . . . . . 763 VAL HG23 . 51699 1 106 . 1 . 1 14 14 VAL C C 13 172.821 0.002 . 1 . . . . . 763 VAL C . 51699 1 107 . 1 . 1 14 14 VAL CA C 13 60.735 0.062 . 1 . . . . . 763 VAL CA . 51699 1 108 . 1 . 1 14 14 VAL CB C 13 32.638 0.011 . 1 . . . . . 763 VAL CB . 51699 1 109 . 1 . 1 14 14 VAL CG1 C 13 18.430 0.000 . 2 . . . . . 763 VAL CG1 . 51699 1 110 . 1 . 1 14 14 VAL CG2 C 13 21.725 0.000 . 2 . . . . . 763 VAL CG2 . 51699 1 111 . 1 . 1 14 14 VAL N N 15 117.893 0.113 . 1 . . . . . 763 VAL N . 51699 1 112 . 1 . 1 15 15 ASN H H 1 8.772 0.011 . 1 . . . . . 764 ASN H . 51699 1 113 . 1 . 1 15 15 ASN HA H 1 4.042 0.000 . 1 . . . . . 764 ASN HA . 51699 1 114 . 1 . 1 15 15 ASN C C 13 174.539 0.016 . 1 . . . . . 764 ASN C . 51699 1 115 . 1 . 1 15 15 ASN CA C 13 54.492 0.000 . 1 . . . . . 764 ASN CA . 51699 1 116 . 1 . 1 15 15 ASN CB C 13 36.703 0.058 . 1 . . . . . 764 ASN CB . 51699 1 117 . 1 . 1 15 15 ASN N N 15 113.476 0.136 . 1 . . . . . 764 ASN N . 51699 1 118 . 1 . 1 16 16 GLY H H 1 8.730 0.006 . 1 . . . . . 765 GLY H . 51699 1 119 . 1 . 1 16 16 GLY HA2 H 1 3.837 0.015 . 2 . . . . . 765 GLY HA2 . 51699 1 120 . 1 . 1 16 16 GLY HA3 H 1 3.630 0.001 . 2 . . . . . 765 GLY HA3 . 51699 1 121 . 1 . 1 16 16 GLY C C 13 172.571 0.000 . 1 . . . . . 765 GLY C . 51699 1 122 . 1 . 1 16 16 GLY CA C 13 45.735 0.050 . 1 . . . . . 765 GLY CA . 51699 1 123 . 1 . 1 16 16 GLY N N 15 107.130 0.148 . 1 . . . . . 765 GLY N . 51699 1 124 . 1 . 1 17 17 GLY H H 1 7.162 0.003 . 1 . . . . . 766 GLY H . 51699 1 125 . 1 . 1 17 17 GLY HA2 H 1 3.354 0.007 . 2 . . . . . 766 GLY HA2 . 51699 1 126 . 1 . 1 17 17 GLY HA3 H 1 4.331 0.012 . 2 . . . . . 766 GLY HA3 . 51699 1 127 . 1 . 1 17 17 GLY C C 13 169.016 0.002 . 1 . . . . . 766 GLY C . 51699 1 128 . 1 . 1 17 17 GLY CA C 13 45.579 0.058 . 1 . . . . . 766 GLY CA . 51699 1 129 . 1 . 1 17 17 GLY N N 15 106.805 0.185 . 1 . . . . . 766 GLY N . 51699 1 130 . 1 . 1 18 18 THR H H 1 8.586 0.004 . 1 . . . . . 767 THR H . 51699 1 131 . 1 . 1 18 18 THR HA H 1 4.471 0.010 . 1 . . . . . 767 THR HA . 51699 1 132 . 1 . 1 18 18 THR HB H 1 4.044 0.007 . 1 . . . . . 767 THR HB . 51699 1 133 . 1 . 1 18 18 THR HG21 H 1 1.149 0.006 . 1 . . . . . 767 THR HG21 . 51699 1 134 . 1 . 1 18 18 THR HG22 H 1 1.149 0.006 . 1 . . . . . 767 THR HG22 . 51699 1 135 . 1 . 1 18 18 THR HG23 H 1 1.149 0.006 . 1 . . . . . 767 THR HG23 . 51699 1 136 . 1 . 1 18 18 THR C C 13 169.693 0.000 . 1 . . . . . 767 THR C . 51699 1 137 . 1 . 1 18 18 THR CA C 13 61.332 0.048 . 1 . . . . . 767 THR CA . 51699 1 138 . 1 . 1 18 18 THR CB C 13 70.826 0.049 . 1 . . . . . 767 THR CB . 51699 1 139 . 1 . 1 18 18 THR CG2 C 13 21.819 0.001 . 1 . . . . . 767 THR CG2 . 51699 1 140 . 1 . 1 18 18 THR N N 15 114.776 0.124 . 1 . . . . . 767 THR N . 51699 1 141 . 1 . 1 19 19 CYS H H 1 8.989 0.008 . 1 . . . . . 768 CYS H . 51699 1 142 . 1 . 1 19 19 CYS HA H 1 5.079 0.008 . 1 . . . . . 768 CYS HA . 51699 1 143 . 1 . 1 19 19 CYS HB2 H 1 2.964 0.005 . 1 . . . . . 768 CYS HB2 . 51699 1 144 . 1 . 1 19 19 CYS HB3 H 1 2.964 0.005 . 1 . . . . . 768 CYS HB3 . 51699 1 145 . 1 . 1 19 19 CYS C C 13 170.995 0.000 . 1 . . . . . 768 CYS C . 51699 1 146 . 1 . 1 19 19 CYS CA C 13 57.280 0.018 . 1 . . . . . 768 CYS CA . 51699 1 147 . 1 . 1 19 19 CYS CB C 13 39.447 0.013 . 1 . . . . . 768 CYS CB . 51699 1 148 . 1 . 1 19 19 CYS N N 15 127.591 0.117 . 1 . . . . . 768 CYS N . 51699 1 149 . 1 . 1 20 20 LYS H H 1 9.208 0.007 . 1 . . . . . 769 LYS H . 51699 1 150 . 1 . 1 20 20 LYS HA H 1 4.646 0.003 . 1 . . . . . 769 LYS HA . 51699 1 151 . 1 . 1 20 20 LYS HB2 H 1 1.789 0.010 . 2 . . . . . 769 LYS HB2 . 51699 1 152 . 1 . 1 20 20 LYS HB3 H 1 1.671 0.007 . 2 . . . . . 769 LYS HB3 . 51699 1 153 . 1 . 1 20 20 LYS HG2 H 1 1.342 0.000 . 2 . . . . . 769 LYS HG2 . 51699 1 154 . 1 . 1 20 20 LYS HG3 H 1 1.397 0.002 . 2 . . . . . 769 LYS HG3 . 51699 1 155 . 1 . 1 20 20 LYS HD2 H 1 1.654 0.005 . 2 . . . . . 769 LYS HD2 . 51699 1 156 . 1 . 1 20 20 LYS HD3 H 1 1.635 0.012 . 2 . . . . . 769 LYS HD3 . 51699 1 157 . 1 . 1 20 20 LYS HE2 H 1 2.935 0.000 . 2 . . . . . 769 LYS HE2 . 51699 1 158 . 1 . 1 20 20 LYS HE3 H 1 2.932 0.004 . 2 . . . . . 769 LYS HE3 . 51699 1 159 . 1 . 1 20 20 LYS C C 13 171.854 0.007 . 1 . . . . . 769 LYS C . 51699 1 160 . 1 . 1 20 20 LYS CA C 13 55.662 0.068 . 1 . . . . . 769 LYS CA . 51699 1 161 . 1 . 1 20 20 LYS CB C 13 35.401 0.015 . 1 . . . . . 769 LYS CB . 51699 1 162 . 1 . 1 20 20 LYS CG C 13 24.900 0.001 . 1 . . . . . 769 LYS CG . 51699 1 163 . 1 . 1 20 20 LYS CD C 13 29.118 0.000 . 1 . . . . . 769 LYS CD . 51699 1 164 . 1 . 1 20 20 LYS CE C 13 42.353 0.000 . 1 . . . . . 769 LYS CE . 51699 1 165 . 1 . 1 20 20 LYS N N 15 131.397 0.136 . 1 . . . . . 769 LYS N . 51699 1 166 . 1 . 1 21 21 ASP H H 1 8.796 0.009 . 1 . . . . . 770 ASP H . 51699 1 167 . 1 . 1 21 21 ASP HA H 1 4.682 0.009 . 1 . . . . . 770 ASP HA . 51699 1 168 . 1 . 1 21 21 ASP HB2 H 1 2.603 0.000 . 1 . . . . . 770 ASP HB2 . 51699 1 169 . 1 . 1 21 21 ASP HB3 H 1 2.543 0.000 . 1 . . . . . 770 ASP HB3 . 51699 1 170 . 1 . 1 21 21 ASP C C 13 173.136 0.002 . 1 . . . . . 770 ASP C . 51699 1 171 . 1 . 1 21 21 ASP CA C 13 55.504 0.034 . 1 . . . . . 770 ASP CA . 51699 1 172 . 1 . 1 21 21 ASP CB C 13 42.285 0.052 . 1 . . . . . 770 ASP CB . 51699 1 173 . 1 . 1 21 21 ASP N N 15 127.392 0.171 . 1 . . . . . 770 ASP N . 51699 1 174 . 1 . 1 22 22 MET H H 1 8.121 0.005 . 1 . . . . . 771 MET H . 51699 1 175 . 1 . 1 22 22 MET HA H 1 4.933 0.011 . 1 . . . . . 771 MET HA . 51699 1 176 . 1 . 1 22 22 MET HB2 H 1 1.686 0.004 . 2 . . . . . 771 MET HB2 . 51699 1 177 . 1 . 1 22 22 MET HB3 H 1 2.175 0.006 . 2 . . . . . 771 MET HB3 . 51699 1 178 . 1 . 1 22 22 MET HG2 H 1 2.404 0.003 . 2 . . . . . 771 MET HG2 . 51699 1 179 . 1 . 1 22 22 MET HG3 H 1 2.455 0.001 . 2 . . . . . 771 MET HG3 . 51699 1 180 . 1 . 1 22 22 MET C C 13 174.088 0.000 . 1 . . . . . 771 MET C . 51699 1 181 . 1 . 1 22 22 MET CA C 13 53.249 0.001 . 1 . . . . . 771 MET CA . 51699 1 182 . 1 . 1 22 22 MET CB C 13 35.242 0.016 . 1 . . . . . 771 MET CB . 51699 1 183 . 1 . 1 22 22 MET CG C 13 32.118 0.000 . 1 . . . . . 771 MET CG . 51699 1 184 . 1 . 1 22 22 MET N N 15 121.582 0.135 . 1 . . . . . 771 MET N . 51699 1 185 . 1 . 1 24 24 SER HA H 1 4.538 0.003 . 1 . . . . . 773 SER HA . 51699 1 186 . 1 . 1 24 24 SER HB2 H 1 3.763 0.004 . 2 . . . . . 773 SER HB2 . 51699 1 187 . 1 . 1 24 24 SER HB3 H 1 3.812 0.004 . 2 . . . . . 773 SER HB3 . 51699 1 188 . 1 . 1 24 24 SER C C 13 171.048 0.000 . 1 . . . . . 773 SER C . 51699 1 189 . 1 . 1 24 24 SER CA C 13 57.198 0.045 . 1 . . . . . 773 SER CA . 51699 1 190 . 1 . 1 24 24 SER CB C 13 63.280 0.000 . 1 . . . . . 773 SER CB . 51699 1 191 . 1 . 1 25 25 GLY H H 1 8.012 0.009 . 1 . . . . . 774 GLY H . 51699 1 192 . 1 . 1 25 25 GLY HA2 H 1 4.260 0.006 . 2 . . . . . 774 GLY HA2 . 51699 1 193 . 1 . 1 25 25 GLY HA3 H 1 3.850 0.006 . 2 . . . . . 774 GLY HA3 . 51699 1 194 . 1 . 1 25 25 GLY C C 13 169.650 0.002 . 1 . . . . . 774 GLY C . 51699 1 195 . 1 . 1 25 25 GLY CA C 13 45.202 0.055 . 1 . . . . . 774 GLY CA . 51699 1 196 . 1 . 1 25 25 GLY N N 15 112.339 0.127 . 1 . . . . . 774 GLY N . 51699 1 197 . 1 . 1 26 26 TYR H H 1 7.936 0.006 . 1 . . . . . 775 TYR H . 51699 1 198 . 1 . 1 26 26 TYR HA H 1 5.151 0.009 . 1 . . . . . 775 TYR HA . 51699 1 199 . 1 . 1 26 26 TYR HB2 H 1 2.964 0.003 . 2 . . . . . 775 TYR HB2 . 51699 1 200 . 1 . 1 26 26 TYR HB3 H 1 2.966 0.004 . 2 . . . . . 775 TYR HB3 . 51699 1 201 . 1 . 1 26 26 TYR C C 13 170.540 0.001 . 1 . . . . . 775 TYR C . 51699 1 202 . 1 . 1 26 26 TYR CA C 13 56.831 0.045 . 1 . . . . . 775 TYR CA . 51699 1 203 . 1 . 1 26 26 TYR CB C 13 40.177 0.057 . 1 . . . . . 775 TYR CB . 51699 1 204 . 1 . 1 26 26 TYR N N 15 119.968 0.175 . 1 . . . . . 775 TYR N . 51699 1 205 . 1 . 1 27 27 VAL H H 1 9.032 0.007 . 1 . . . . . 776 VAL H . 51699 1 206 . 1 . 1 27 27 VAL HA H 1 4.412 0.011 . 1 . . . . . 776 VAL HA . 51699 1 207 . 1 . 1 27 27 VAL HB H 1 1.941 0.004 . 1 . . . . . 776 VAL HB . 51699 1 208 . 1 . 1 27 27 VAL HG11 H 1 0.906 0.013 . 2 . . . . . 776 VAL HG11 . 51699 1 209 . 1 . 1 27 27 VAL HG12 H 1 0.906 0.013 . 2 . . . . . 776 VAL HG12 . 51699 1 210 . 1 . 1 27 27 VAL HG13 H 1 0.906 0.013 . 2 . . . . . 776 VAL HG13 . 51699 1 211 . 1 . 1 27 27 VAL HG21 H 1 0.898 0.003 . 2 . . . . . 776 VAL HG21 . 51699 1 212 . 1 . 1 27 27 VAL HG22 H 1 0.898 0.003 . 2 . . . . . 776 VAL HG22 . 51699 1 213 . 1 . 1 27 27 VAL HG23 H 1 0.898 0.003 . 2 . . . . . 776 VAL HG23 . 51699 1 214 . 1 . 1 27 27 VAL C C 13 172.792 0.007 . 1 . . . . . 776 VAL C . 51699 1 215 . 1 . 1 27 27 VAL CA C 13 60.864 0.063 . 1 . . . . . 776 VAL CA . 51699 1 216 . 1 . 1 27 27 VAL CB C 13 36.254 0.068 . 1 . . . . . 776 VAL CB . 51699 1 217 . 1 . 1 27 27 VAL CG1 C 13 21.281 0.001 . 1 . . . . . 776 VAL CG1 . 51699 1 218 . 1 . 1 27 27 VAL N N 15 118.160 0.127 . 1 . . . . . 776 VAL N . 51699 1 219 . 1 . 1 28 28 CYS H H 1 9.070 0.004 . 1 . . . . . 777 CYS H . 51699 1 220 . 1 . 1 28 28 CYS HA H 1 5.599 0.014 . 1 . . . . . 777 CYS HA . 51699 1 221 . 1 . 1 28 28 CYS HB2 H 1 2.717 0.005 . 2 . . . . . 777 CYS HB2 . 51699 1 222 . 1 . 1 28 28 CYS HB3 H 1 2.962 0.008 . 2 . . . . . 777 CYS HB3 . 51699 1 223 . 1 . 1 28 28 CYS C C 13 172.351 0.005 . 1 . . . . . 777 CYS C . 51699 1 224 . 1 . 1 28 28 CYS CA C 13 53.447 0.053 . 1 . . . . . 777 CYS CA . 51699 1 225 . 1 . 1 28 28 CYS CB C 13 41.852 0.077 . 1 . . . . . 777 CYS CB . 51699 1 226 . 1 . 1 28 28 CYS N N 15 124.100 0.078 . 1 . . . . . 777 CYS N . 51699 1 227 . 1 . 1 29 29 THR H H 1 9.379 0.004 . 1 . . . . . 778 THR H . 51699 1 228 . 1 . 1 29 29 THR HA H 1 4.429 0.003 . 1 . . . . . 778 THR HA . 51699 1 229 . 1 . 1 29 29 THR HB H 1 4.030 0.007 . 1 . . . . . 778 THR HB . 51699 1 230 . 1 . 1 29 29 THR HG21 H 1 1.193 0.006 . 1 . . . . . 778 THR HG21 . 51699 1 231 . 1 . 1 29 29 THR HG22 H 1 1.193 0.006 . 1 . . . . . 778 THR HG22 . 51699 1 232 . 1 . 1 29 29 THR HG23 H 1 1.193 0.006 . 1 . . . . . 778 THR HG23 . 51699 1 233 . 1 . 1 29 29 THR C C 13 171.998 0.020 . 1 . . . . . 778 THR C . 51699 1 234 . 1 . 1 29 29 THR CA C 13 62.328 0.050 . 1 . . . . . 778 THR CA . 51699 1 235 . 1 . 1 29 29 THR CB C 13 69.125 0.053 . 1 . . . . . 778 THR CB . 51699 1 236 . 1 . 1 29 29 THR CG2 C 13 21.471 0.002 . 1 . . . . . 778 THR CG2 . 51699 1 237 . 1 . 1 29 29 THR N N 15 121.659 0.131 . 1 . . . . . 778 THR N . 51699 1 238 . 1 . 1 30 30 CYS H H 1 9.113 0.007 . 1 . . . . . 779 CYS H . 51699 1 239 . 1 . 1 30 30 CYS HB2 H 1 3.339 0.000 . 1 . . . . . 779 CYS HB2 . 51699 1 240 . 1 . 1 30 30 CYS C C 13 173.407 0.078 . 1 . . . . . 779 CYS C . 51699 1 241 . 1 . 1 30 30 CYS CA C 13 53.018 0.072 . 1 . . . . . 779 CYS CA . 51699 1 242 . 1 . 1 30 30 CYS CB C 13 37.565 0.090 . 1 . . . . . 779 CYS CB . 51699 1 243 . 1 . 1 30 30 CYS N N 15 126.161 0.152 . 1 . . . . . 779 CYS N . 51699 1 244 . 1 . 1 31 31 ARG H H 1 8.576 0.004 . 1 . . . . . 780 ARG H . 51699 1 245 . 1 . 1 31 31 ARG HA H 1 4.321 0.006 . 1 . . . . . 780 ARG HA . 51699 1 246 . 1 . 1 31 31 ARG HB2 H 1 2.043 0.005 . 2 . . . . . 780 ARG HB2 . 51699 1 247 . 1 . 1 31 31 ARG HB3 H 1 1.730 0.019 . 2 . . . . . 780 ARG HB3 . 51699 1 248 . 1 . 1 31 31 ARG HG2 H 1 1.696 0.005 . 2 . . . . . 780 ARG HG2 . 51699 1 249 . 1 . 1 31 31 ARG HG3 H 1 1.697 0.001 . 2 . . . . . 780 ARG HG3 . 51699 1 250 . 1 . 1 31 31 ARG HD2 H 1 3.271 0.008 . 2 . . . . . 780 ARG HD2 . 51699 1 251 . 1 . 1 31 31 ARG HD3 H 1 3.270 0.006 . 2 . . . . . 780 ARG HD3 . 51699 1 252 . 1 . 1 31 31 ARG C C 13 172.697 0.010 . 1 . . . . . 780 ARG C . 51699 1 253 . 1 . 1 31 31 ARG CA C 13 56.028 0.059 . 1 . . . . . 780 ARG CA . 51699 1 254 . 1 . 1 31 31 ARG CB C 13 31.190 0.054 . 1 . . . . . 780 ARG CB . 51699 1 255 . 1 . 1 31 31 ARG CG C 13 27.741 0.002 . 1 . . . . . 780 ARG CG . 51699 1 256 . 1 . 1 31 31 ARG CD C 13 43.690 0.001 . 1 . . . . . 780 ARG CD . 51699 1 257 . 1 . 1 31 31 ARG N N 15 122.068 0.173 . 1 . . . . . 780 ARG N . 51699 1 258 . 1 . 1 32 32 GLU H H 1 8.527 0.006 . 1 . . . . . 781 GLU H . 51699 1 259 . 1 . 1 32 32 GLU HA H 1 4.029 0.007 . 1 . . . . . 781 GLU HA . 51699 1 260 . 1 . 1 32 32 GLU HB2 H 1 1.934 0.002 . 2 . . . . . 781 GLU HB2 . 51699 1 261 . 1 . 1 32 32 GLU HB3 H 1 1.903 0.000 . 2 . . . . . 781 GLU HB3 . 51699 1 262 . 1 . 1 32 32 GLU HG2 H 1 2.276 0.000 . 2 . . . . . 781 GLU HG2 . 51699 1 263 . 1 . 1 32 32 GLU HG3 H 1 2.281 0.008 . 2 . . . . . 781 GLU HG3 . 51699 1 264 . 1 . 1 32 32 GLU C C 13 173.852 0.003 . 1 . . . . . 781 GLU C . 51699 1 265 . 1 . 1 32 32 GLU CA C 13 58.391 0.050 . 1 . . . . . 781 GLU CA . 51699 1 266 . 1 . 1 32 32 GLU CB C 13 29.289 0.059 . 1 . . . . . 781 GLU CB . 51699 1 267 . 1 . 1 32 32 GLU CG C 13 36.143 0.032 . 1 . . . . . 781 GLU CG . 51699 1 268 . 1 . 1 32 32 GLU N N 15 121.385 0.152 . 1 . . . . . 781 GLU N . 51699 1 269 . 1 . 1 33 33 GLY H H 1 8.754 0.008 . 1 . . . . . 782 GLY H . 51699 1 270 . 1 . 1 33 33 GLY HA2 H 1 3.364 0.007 . 2 . . . . . 782 GLY HA2 . 51699 1 271 . 1 . 1 33 33 GLY HA3 H 1 4.032 0.007 . 2 . . . . . 782 GLY HA3 . 51699 1 272 . 1 . 1 33 33 GLY C C 13 171.159 0.000 . 1 . . . . . 782 GLY C . 51699 1 273 . 1 . 1 33 33 GLY CA C 13 44.109 0.012 . 1 . . . . . 782 GLY CA . 51699 1 274 . 1 . 1 33 33 GLY N N 15 109.283 0.140 . 1 . . . . . 782 GLY N . 51699 1 275 . 1 . 1 34 34 PHE H H 1 8.098 0.005 . 1 . . . . . 783 PHE H . 51699 1 276 . 1 . 1 34 34 PHE HA H 1 5.768 0.010 . 1 . . . . . 783 PHE HA . 51699 1 277 . 1 . 1 34 34 PHE HB2 H 1 2.946 0.008 . 2 . . . . . 783 PHE HB2 . 51699 1 278 . 1 . 1 34 34 PHE HB3 H 1 3.136 0.007 . 2 . . . . . 783 PHE HB3 . 51699 1 279 . 1 . 1 34 34 PHE C C 13 171.889 0.002 . 1 . . . . . 783 PHE C . 51699 1 280 . 1 . 1 34 34 PHE CA C 13 56.816 0.047 . 1 . . . . . 783 PHE CA . 51699 1 281 . 1 . 1 34 34 PHE CB C 13 42.174 0.078 . 1 . . . . . 783 PHE CB . 51699 1 282 . 1 . 1 34 34 PHE N N 15 119.962 0.151 . 1 . . . . . 783 PHE N . 51699 1 283 . 1 . 1 35 35 SER H H 1 9.407 0.009 . 1 . . . . . 784 SER H . 51699 1 284 . 1 . 1 35 35 SER HA H 1 4.812 0.006 . 1 . . . . . 784 SER HA . 51699 1 285 . 1 . 1 35 35 SER HB2 H 1 3.581 0.018 . 2 . . . . . 784 SER HB2 . 51699 1 286 . 1 . 1 35 35 SER HB3 H 1 3.963 0.005 . 2 . . . . . 784 SER HB3 . 51699 1 287 . 1 . 1 35 35 SER C C 13 170.967 0.001 . 1 . . . . . 784 SER C . 51699 1 288 . 1 . 1 35 35 SER CA C 13 56.889 0.053 . 1 . . . . . 784 SER CA . 51699 1 289 . 1 . 1 35 35 SER CB C 13 65.914 0.033 . 1 . . . . . 784 SER CB . 51699 1 290 . 1 . 1 35 35 SER N N 15 115.463 0.127 . 1 . . . . . 784 SER N . 51699 1 291 . 1 . 1 36 36 GLY H H 1 8.131 0.006 . 1 . . . . . 785 GLY H . 51699 1 292 . 1 . 1 36 36 GLY CA C 13 43.984 0.000 . 1 . . . . . 785 GLY CA . 51699 1 293 . 1 . 1 36 36 GLY N N 15 107.489 0.156 . 1 . . . . . 785 GLY N . 51699 1 294 . 1 . 1 40 40 GLN HA H 1 3.846 0.007 . 1 . . . . . 789 GLN HA . 51699 1 295 . 1 . 1 40 40 GLN HB2 H 1 1.947 0.001 . 2 . . . . . 789 GLN HB2 . 51699 1 296 . 1 . 1 40 40 GLN HB3 H 1 2.194 0.013 . 2 . . . . . 789 GLN HB3 . 51699 1 297 . 1 . 1 40 40 GLN HG2 H 1 2.443 0.005 . 2 . . . . . 789 GLN HG2 . 51699 1 298 . 1 . 1 40 40 GLN HG3 H 1 2.447 0.000 . 2 . . . . . 789 GLN HG3 . 51699 1 299 . 1 . 1 40 40 GLN C C 13 173.815 0.000 . 1 . . . . . 789 GLN C . 51699 1 300 . 1 . 1 40 40 GLN CA C 13 57.573 0.031 . 1 . . . . . 789 GLN CA . 51699 1 301 . 1 . 1 40 40 GLN CB C 13 29.187 0.084 . 1 . . . . . 789 GLN CB . 51699 1 302 . 1 . 1 40 40 GLN CG C 13 33.320 0.031 . 1 . . . . . 789 GLN CG . 51699 1 303 . 1 . 1 41 41 THR H H 1 8.763 0.006 . 1 . . . . . 790 THR H . 51699 1 304 . 1 . 1 41 41 THR HA H 1 4.270 0.015 . 1 . . . . . 790 THR HA . 51699 1 305 . 1 . 1 41 41 THR HB H 1 3.935 0.000 . 1 . . . . . 790 THR HB . 51699 1 306 . 1 . 1 41 41 THR HG21 H 1 0.949 0.000 . 1 . . . . . 790 THR HG21 . 51699 1 307 . 1 . 1 41 41 THR HG22 H 1 0.949 0.000 . 1 . . . . . 790 THR HG22 . 51699 1 308 . 1 . 1 41 41 THR HG23 H 1 0.949 0.000 . 1 . . . . . 790 THR HG23 . 51699 1 309 . 1 . 1 41 41 THR C C 13 170.113 0.005 . 1 . . . . . 790 THR C . 51699 1 310 . 1 . 1 41 41 THR CA C 13 63.065 0.055 . 1 . . . . . 790 THR CA . 51699 1 311 . 1 . 1 41 41 THR CB C 13 69.401 0.002 . 1 . . . . . 790 THR CB . 51699 1 312 . 1 . 1 41 41 THR CG2 C 13 21.478 0.000 . 1 . . . . . 790 THR CG2 . 51699 1 313 . 1 . 1 41 41 THR N N 15 119.913 0.135 . 1 . . . . . 790 THR N . 51699 1 314 . 1 . 1 42 42 ASN H H 1 8.936 0.006 . 1 . . . . . 791 ASN H . 51699 1 315 . 1 . 1 42 42 ASN C C 13 172.180 0.004 . 1 . . . . . 791 ASN C . 51699 1 316 . 1 . 1 42 42 ASN CA C 13 51.941 0.019 . 1 . . . . . 791 ASN CA . 51699 1 317 . 1 . 1 42 42 ASN CB C 13 37.778 0.000 . 1 . . . . . 791 ASN CB . 51699 1 318 . 1 . 1 42 42 ASN N N 15 127.581 0.109 . 1 . . . . . 791 ASN N . 51699 1 319 . 1 . 1 43 43 ILE H H 1 7.881 0.005 . 1 . . . . . 792 ILE H . 51699 1 320 . 1 . 1 43 43 ILE HA H 1 3.614 0.001 . 1 . . . . . 792 ILE HA . 51699 1 321 . 1 . 1 43 43 ILE HB H 1 1.919 0.001 . 1 . . . . . 792 ILE HB . 51699 1 322 . 1 . 1 43 43 ILE HG12 H 1 1.203 0.002 . 2 . . . . . 792 ILE HG12 . 51699 1 323 . 1 . 1 43 43 ILE HG13 H 1 1.402 0.007 . 2 . . . . . 792 ILE HG13 . 51699 1 324 . 1 . 1 43 43 ILE HG21 H 1 0.953 0.004 . 1 . . . . . 792 ILE HG21 . 51699 1 325 . 1 . 1 43 43 ILE HG22 H 1 0.953 0.004 . 1 . . . . . 792 ILE HG22 . 51699 1 326 . 1 . 1 43 43 ILE HG23 H 1 0.953 0.004 . 1 . . . . . 792 ILE HG23 . 51699 1 327 . 1 . 1 43 43 ILE HD11 H 1 0.880 0.001 . 1 . . . . . 792 ILE HD11 . 51699 1 328 . 1 . 1 43 43 ILE HD12 H 1 0.880 0.001 . 1 . . . . . 792 ILE HD12 . 51699 1 329 . 1 . 1 43 43 ILE HD13 H 1 0.880 0.001 . 1 . . . . . 792 ILE HD13 . 51699 1 330 . 1 . 1 43 43 ILE C C 13 172.176 0.000 . 1 . . . . . 792 ILE C . 51699 1 331 . 1 . 1 43 43 ILE CA C 13 62.669 0.001 . 1 . . . . . 792 ILE CA . 51699 1 332 . 1 . 1 43 43 ILE CB C 13 38.590 0.003 . 1 . . . . . 792 ILE CB . 51699 1 333 . 1 . 1 43 43 ILE CG1 C 13 27.325 0.062 . 1 . . . . . 792 ILE CG1 . 51699 1 334 . 1 . 1 43 43 ILE CG2 C 13 17.405 0.014 . 1 . . . . . 792 ILE CG2 . 51699 1 335 . 1 . 1 43 43 ILE CD1 C 13 13.767 0.026 . 1 . . . . . 792 ILE CD1 . 51699 1 336 . 1 . 1 43 43 ILE N N 15 128.468 0.112 . 1 . . . . . 792 ILE N . 51699 1 337 . 1 . 1 44 44 ASN HA H 1 4.804 0.000 . 1 . . . . . 793 ASN HA . 51699 1 338 . 1 . 1 44 44 ASN HB2 H 1 2.996 0.001 . 2 . . . . . 793 ASN HB2 . 51699 1 339 . 1 . 1 44 44 ASN HB3 H 1 2.702 0.010 . 2 . . . . . 793 ASN HB3 . 51699 1 340 . 1 . 1 44 44 ASN C C 13 174.120 0.000 . 1 . . . . . 793 ASN C . 51699 1 341 . 1 . 1 44 44 ASN CA C 13 51.508 0.030 . 1 . . . . . 793 ASN CA . 51699 1 342 . 1 . 1 44 44 ASN CB C 13 37.310 0.046 . 1 . . . . . 793 ASN CB . 51699 1 343 . 1 . 1 45 45 GLU H H 1 8.831 0.009 . 1 . . . . . 794 GLU H . 51699 1 344 . 1 . 1 45 45 GLU HA H 1 4.061 0.000 . 1 . . . . . 794 GLU HA . 51699 1 345 . 1 . 1 45 45 GLU C C 13 174.127 0.001 . 1 . . . . . 794 GLU C . 51699 1 346 . 1 . 1 45 45 GLU CA C 13 61.144 0.090 . 1 . . . . . 794 GLU CA . 51699 1 347 . 1 . 1 45 45 GLU CB C 13 27.400 0.086 . 1 . . . . . 794 GLU CB . 51699 1 348 . 1 . 1 45 45 GLU N N 15 128.345 0.117 . 1 . . . . . 794 GLU N . 51699 1 349 . 1 . 1 46 46 CYS H H 1 7.922 0.007 . 1 . . . . . 795 CYS H . 51699 1 350 . 1 . 1 46 46 CYS HA H 1 4.249 0.000 . 1 . . . . . 795 CYS HA . 51699 1 351 . 1 . 1 46 46 CYS C C 13 173.935 0.016 . 1 . . . . . 795 CYS C . 51699 1 352 . 1 . 1 46 46 CYS CA C 13 54.980 0.027 . 1 . . . . . 795 CYS CA . 51699 1 353 . 1 . 1 46 46 CYS CB C 13 39.313 0.000 . 1 . . . . . 795 CYS CB . 51699 1 354 . 1 . 1 46 46 CYS N N 15 113.953 0.126 . 1 . . . . . 795 CYS N . 51699 1 355 . 1 . 1 47 47 ALA H H 1 7.293 0.007 . 1 . . . . . 796 ALA H . 51699 1 356 . 1 . 1 47 47 ALA HA H 1 3.919 0.001 . 1 . . . . . 796 ALA HA . 51699 1 357 . 1 . 1 47 47 ALA HB1 H 1 1.399 0.002 . 1 . . . . . 796 ALA HB1 . 51699 1 358 . 1 . 1 47 47 ALA HB2 H 1 1.399 0.002 . 1 . . . . . 796 ALA HB2 . 51699 1 359 . 1 . 1 47 47 ALA HB3 H 1 1.399 0.002 . 1 . . . . . 796 ALA HB3 . 51699 1 360 . 1 . 1 47 47 ALA C C 13 175.220 0.000 . 1 . . . . . 796 ALA C . 51699 1 361 . 1 . 1 47 47 ALA CA C 13 55.319 0.027 . 1 . . . . . 796 ALA CA . 51699 1 362 . 1 . 1 47 47 ALA CB C 13 18.217 0.027 . 1 . . . . . 796 ALA CB . 51699 1 363 . 1 . 1 47 47 ALA N N 15 124.780 0.122 . 1 . . . . . 796 ALA N . 51699 1 364 . 1 . 1 48 48 SER HA H 1 4.276 0.001 . 1 . . . . . 797 SER HA . 51699 1 365 . 1 . 1 48 48 SER HB2 H 1 3.803 0.001 . 2 . . . . . 797 SER HB2 . 51699 1 366 . 1 . 1 48 48 SER HB3 H 1 3.677 0.003 . 2 . . . . . 797 SER HB3 . 51699 1 367 . 1 . 1 48 48 SER C C 13 170.895 0.000 . 1 . . . . . 797 SER C . 51699 1 368 . 1 . 1 48 48 SER CA C 13 57.822 0.032 . 1 . . . . . 797 SER CA . 51699 1 369 . 1 . 1 48 48 SER CB C 13 63.161 0.001 . 1 . . . . . 797 SER CB . 51699 1 370 . 1 . 1 49 49 ASN H H 1 8.012 0.004 . 1 . . . . . 798 ASN H . 51699 1 371 . 1 . 1 49 49 ASN C C 13 169.690 0.000 . 1 . . . . . 798 ASN C . 51699 1 372 . 1 . 1 49 49 ASN CA C 13 53.578 0.000 . 1 . . . . . 798 ASN CA . 51699 1 373 . 1 . 1 49 49 ASN CB C 13 37.522 0.000 . 1 . . . . . 798 ASN CB . 51699 1 374 . 1 . 1 49 49 ASN N N 15 117.103 0.130 . 1 . . . . . 798 ASN N . 51699 1 375 . 1 . 1 50 50 PRO HA H 1 4.162 0.000 . 1 . . . . . 799 PRO HA . 51699 1 376 . 1 . 1 50 50 PRO HB2 H 1 1.567 0.000 . 1 . . . . . 799 PRO HB2 . 51699 1 377 . 1 . 1 50 50 PRO HD2 H 1 3.544 0.000 . 1 . . . . . 799 PRO HD2 . 51699 1 378 . 1 . 1 50 50 PRO HD3 H 1 3.544 0.000 . 1 . . . . . 799 PRO HD3 . 51699 1 379 . 1 . 1 50 50 PRO C C 13 173.803 0.000 . 1 . . . . . 799 PRO C . 51699 1 380 . 1 . 1 50 50 PRO CA C 13 63.888 0.029 . 1 . . . . . 799 PRO CA . 51699 1 381 . 1 . 1 50 50 PRO CB C 13 32.841 0.021 . 1 . . . . . 799 PRO CB . 51699 1 382 . 1 . 1 51 51 CYS H H 1 7.557 0.005 . 1 . . . . . 800 CYS H . 51699 1 383 . 1 . 1 51 51 CYS HA H 1 4.254 0.011 . 1 . . . . . 800 CYS HA . 51699 1 384 . 1 . 1 51 51 CYS HB2 H 1 2.624 0.000 . 1 . . . . . 800 CYS HB2 . 51699 1 385 . 1 . 1 51 51 CYS HB3 H 1 2.624 0.000 . 1 . . . . . 800 CYS HB3 . 51699 1 386 . 1 . 1 51 51 CYS C C 13 171.360 0.003 . 1 . . . . . 800 CYS C . 51699 1 387 . 1 . 1 51 51 CYS CA C 13 53.480 0.022 . 1 . . . . . 800 CYS CA . 51699 1 388 . 1 . 1 51 51 CYS CB C 13 37.547 0.057 . 1 . . . . . 800 CYS CB . 51699 1 389 . 1 . 1 51 51 CYS N N 15 116.400 0.138 . 1 . . . . . 800 CYS N . 51699 1 390 . 1 . 1 52 52 LEU H H 1 8.224 0.004 . 1 . . . . . 801 LEU H . 51699 1 391 . 1 . 1 52 52 LEU HA H 1 4.175 0.007 . 1 . . . . . 801 LEU HA . 51699 1 392 . 1 . 1 52 52 LEU HB2 H 1 1.637 0.002 . 2 . . . . . 801 LEU HB2 . 51699 1 393 . 1 . 1 52 52 LEU HB3 H 1 1.636 0.001 . 2 . . . . . 801 LEU HB3 . 51699 1 394 . 1 . 1 52 52 LEU HG H 1 1.752 0.016 . 1 . . . . . 801 LEU HG . 51699 1 395 . 1 . 1 52 52 LEU HD11 H 1 0.726 0.001 . 2 . . . . . 801 LEU HD11 . 51699 1 396 . 1 . 1 52 52 LEU HD12 H 1 0.726 0.001 . 2 . . . . . 801 LEU HD12 . 51699 1 397 . 1 . 1 52 52 LEU HD13 H 1 0.726 0.001 . 2 . . . . . 801 LEU HD13 . 51699 1 398 . 1 . 1 52 52 LEU HD21 H 1 0.804 0.006 . 2 . . . . . 801 LEU HD21 . 51699 1 399 . 1 . 1 52 52 LEU HD22 H 1 0.804 0.006 . 2 . . . . . 801 LEU HD22 . 51699 1 400 . 1 . 1 52 52 LEU HD23 H 1 0.804 0.006 . 2 . . . . . 801 LEU HD23 . 51699 1 401 . 1 . 1 52 52 LEU C C 13 174.299 0.008 . 1 . . . . . 801 LEU C . 51699 1 402 . 1 . 1 52 52 LEU CA C 13 54.437 0.076 . 1 . . . . . 801 LEU CA . 51699 1 403 . 1 . 1 52 52 LEU CB C 13 43.018 0.043 . 1 . . . . . 801 LEU CB . 51699 1 404 . 1 . 1 52 52 LEU CG C 13 27.830 0.000 . 1 . . . . . 801 LEU CG . 51699 1 405 . 1 . 1 52 52 LEU CD1 C 13 21.900 0.000 . 2 . . . . . 801 LEU CD1 . 51699 1 406 . 1 . 1 52 52 LEU CD2 C 13 24.870 0.000 . 2 . . . . . 801 LEU CD2 . 51699 1 407 . 1 . 1 52 52 LEU N N 15 125.307 0.142 . 1 . . . . . 801 LEU N . 51699 1 408 . 1 . 1 53 53 ASN H H 1 8.757 0.011 . 1 . . . . . 802 ASN H . 51699 1 409 . 1 . 1 53 53 ASN HA H 1 3.921 0.018 . 1 . . . . . 802 ASN HA . 51699 1 410 . 1 . 1 53 53 ASN HB2 H 1 1.916 0.001 . 2 . . . . . 802 ASN HB2 . 51699 1 411 . 1 . 1 53 53 ASN HB3 H 1 1.477 0.004 . 2 . . . . . 802 ASN HB3 . 51699 1 412 . 1 . 1 53 53 ASN C C 13 173.315 0.000 . 1 . . . . . 802 ASN C . 51699 1 413 . 1 . 1 53 53 ASN CA C 13 55.208 0.053 . 1 . . . . . 802 ASN CA . 51699 1 414 . 1 . 1 53 53 ASN CB C 13 36.874 0.062 . 1 . . . . . 802 ASN CB . 51699 1 415 . 1 . 1 53 53 ASN N N 15 113.477 0.136 . 1 . . . . . 802 ASN N . 51699 1 416 . 1 . 1 54 54 GLN H H 1 8.611 0.005 . 1 . . . . . 803 GLN H . 51699 1 417 . 1 . 1 54 54 GLN HA H 1 3.725 0.004 . 1 . . . . . 803 GLN HA . 51699 1 418 . 1 . 1 54 54 GLN HB2 H 1 2.207 0.000 . 2 . . . . . 803 GLN HB2 . 51699 1 419 . 1 . 1 54 54 GLN HB3 H 1 2.331 0.000 . 2 . . . . . 803 GLN HB3 . 51699 1 420 . 1 . 1 54 54 GLN HG2 H 1 2.622 0.000 . 1 . . . . . 803 GLN HG2 . 51699 1 421 . 1 . 1 54 54 GLN HG3 H 1 2.622 0.000 . 1 . . . . . 803 GLN HG3 . 51699 1 422 . 1 . 1 54 54 GLN C C 13 173.089 0.040 . 1 . . . . . 803 GLN C . 51699 1 423 . 1 . 1 54 54 GLN CA C 13 57.187 0.020 . 1 . . . . . 803 GLN CA . 51699 1 424 . 1 . 1 54 54 GLN CB C 13 26.760 0.000 . 1 . . . . . 803 GLN CB . 51699 1 425 . 1 . 1 54 54 GLN CG C 13 34.952 0.000 . 1 . . . . . 803 GLN CG . 51699 1 426 . 1 . 1 54 54 GLN N N 15 109.753 0.125 . 1 . . . . . 803 GLN N . 51699 1 427 . 1 . 1 55 55 GLY H H 1 7.440 0.007 . 1 . . . . . 804 GLY H . 51699 1 428 . 1 . 1 55 55 GLY HA2 H 1 4.228 0.000 . 2 . . . . . 804 GLY HA2 . 51699 1 429 . 1 . 1 55 55 GLY HA3 H 1 3.466 0.002 . 2 . . . . . 804 GLY HA3 . 51699 1 430 . 1 . 1 55 55 GLY C C 13 169.648 0.018 . 1 . . . . . 804 GLY C . 51699 1 431 . 1 . 1 55 55 GLY CA C 13 46.048 0.024 . 1 . . . . . 804 GLY CA . 51699 1 432 . 1 . 1 55 55 GLY N N 15 105.375 0.152 . 1 . . . . . 804 GLY N . 51699 1 433 . 1 . 1 56 56 THR H H 1 8.431 0.005 . 1 . . . . . 805 THR H . 51699 1 434 . 1 . 1 56 56 THR HA H 1 4.357 0.007 . 1 . . . . . 805 THR HA . 51699 1 435 . 1 . 1 56 56 THR HB H 1 4.048 0.007 . 1 . . . . . 805 THR HB . 51699 1 436 . 1 . 1 56 56 THR HG21 H 1 1.177 0.007 . 1 . . . . . 805 THR HG21 . 51699 1 437 . 1 . 1 56 56 THR HG22 H 1 1.177 0.007 . 1 . . . . . 805 THR HG22 . 51699 1 438 . 1 . 1 56 56 THR HG23 H 1 1.177 0.007 . 1 . . . . . 805 THR HG23 . 51699 1 439 . 1 . 1 56 56 THR C C 13 169.548 0.002 . 1 . . . . . 805 THR C . 51699 1 440 . 1 . 1 56 56 THR CA C 13 62.090 0.029 . 1 . . . . . 805 THR CA . 51699 1 441 . 1 . 1 56 56 THR CB C 13 71.049 0.065 . 1 . . . . . 805 THR CB . 51699 1 442 . 1 . 1 56 56 THR CG2 C 13 21.630 0.000 . 1 . . . . . 805 THR CG2 . 51699 1 443 . 1 . 1 56 56 THR N N 15 117.390 0.106 . 1 . . . . . 805 THR N . 51699 1 444 . 1 . 1 57 57 CYS H H 1 8.903 0.004 . 1 . . . . . 806 CYS H . 51699 1 445 . 1 . 1 57 57 CYS HA H 1 5.077 0.000 . 1 . . . . . 806 CYS HA . 51699 1 446 . 1 . 1 57 57 CYS HB2 H 1 2.959 0.000 . 1 . . . . . 806 CYS HB2 . 51699 1 447 . 1 . 1 57 57 CYS HB3 H 1 2.959 0.000 . 1 . . . . . 806 CYS HB3 . 51699 1 448 . 1 . 1 57 57 CYS C C 13 170.926 0.019 . 1 . . . . . 806 CYS C . 51699 1 449 . 1 . 1 57 57 CYS CA C 13 57.633 0.065 . 1 . . . . . 806 CYS CA . 51699 1 450 . 1 . 1 57 57 CYS CB C 13 39.220 0.000 . 1 . . . . . 806 CYS CB . 51699 1 451 . 1 . 1 57 57 CYS N N 15 128.356 0.156 . 1 . . . . . 806 CYS N . 51699 1 452 . 1 . 1 58 58 ILE H H 1 9.613 0.005 . 1 . . . . . 807 ILE H . 51699 1 453 . 1 . 1 58 58 ILE HA H 1 4.296 0.004 . 1 . . . . . 807 ILE HA . 51699 1 454 . 1 . 1 58 58 ILE HB H 1 1.857 0.004 . 1 . . . . . 807 ILE HB . 51699 1 455 . 1 . 1 58 58 ILE HG12 H 1 1.376 0.007 . 2 . . . . . 807 ILE HG12 . 51699 1 456 . 1 . 1 58 58 ILE HG13 H 1 1.190 0.006 . 2 . . . . . 807 ILE HG13 . 51699 1 457 . 1 . 1 58 58 ILE HG21 H 1 0.902 0.004 . 1 . . . . . 807 ILE HG21 . 51699 1 458 . 1 . 1 58 58 ILE HG22 H 1 0.902 0.004 . 1 . . . . . 807 ILE HG22 . 51699 1 459 . 1 . 1 58 58 ILE HG23 H 1 0.902 0.004 . 1 . . . . . 807 ILE HG23 . 51699 1 460 . 1 . 1 58 58 ILE HD11 H 1 0.753 0.003 . 1 . . . . . 807 ILE HD11 . 51699 1 461 . 1 . 1 58 58 ILE HD12 H 1 0.753 0.003 . 1 . . . . . 807 ILE HD12 . 51699 1 462 . 1 . 1 58 58 ILE HD13 H 1 0.753 0.003 . 1 . . . . . 807 ILE HD13 . 51699 1 463 . 1 . 1 58 58 ILE C C 13 172.359 0.004 . 1 . . . . . 807 ILE C . 51699 1 464 . 1 . 1 58 58 ILE CA C 13 59.998 0.088 . 1 . . . . . 807 ILE CA . 51699 1 465 . 1 . 1 58 58 ILE CB C 13 39.184 0.063 . 1 . . . . . 807 ILE CB . 51699 1 466 . 1 . 1 58 58 ILE CG1 C 13 27.300 0.000 . 1 . . . . . 807 ILE CG1 . 51699 1 467 . 1 . 1 58 58 ILE CG2 C 13 17.414 0.009 . 1 . . . . . 807 ILE CG2 . 51699 1 468 . 1 . 1 58 58 ILE CD1 C 13 12.441 0.066 . 1 . . . . . 807 ILE CD1 . 51699 1 469 . 1 . 1 58 58 ILE N N 15 132.721 0.139 . 1 . . . . . 807 ILE N . 51699 1 470 . 1 . 1 59 59 ASP H H 1 8.769 0.004 . 1 . . . . . 808 ASP H . 51699 1 471 . 1 . 1 59 59 ASP HA H 1 4.590 0.002 . 1 . . . . . 808 ASP HA . 51699 1 472 . 1 . 1 59 59 ASP HB2 H 1 2.627 0.000 . 2 . . . . . 808 ASP HB2 . 51699 1 473 . 1 . 1 59 59 ASP HB3 H 1 2.436 0.003 . 2 . . . . . 808 ASP HB3 . 51699 1 474 . 1 . 1 59 59 ASP C C 13 171.579 0.016 . 1 . . . . . 808 ASP C . 51699 1 475 . 1 . 1 59 59 ASP CA C 13 56.615 0.077 . 1 . . . . . 808 ASP CA . 51699 1 476 . 1 . 1 59 59 ASP CB C 13 42.607 0.040 . 1 . . . . . 808 ASP CB . 51699 1 477 . 1 . 1 59 59 ASP N N 15 128.446 0.167 . 1 . . . . . 808 ASP N . 51699 1 478 . 1 . 1 60 60 ASP H H 1 8.495 0.003 . 1 . . . . . 809 ASP H . 51699 1 479 . 1 . 1 60 60 ASP HA H 1 4.989 0.014 . 1 . . . . . 809 ASP HA . 51699 1 480 . 1 . 1 60 60 ASP HB2 H 1 2.184 0.000 . 2 . . . . . 809 ASP HB2 . 51699 1 481 . 1 . 1 60 60 ASP HB3 H 1 2.442 0.000 . 2 . . . . . 809 ASP HB3 . 51699 1 482 . 1 . 1 60 60 ASP C C 13 173.461 0.016 . 1 . . . . . 809 ASP C . 51699 1 483 . 1 . 1 60 60 ASP CA C 13 51.918 0.041 . 1 . . . . . 809 ASP CA . 51699 1 484 . 1 . 1 60 60 ASP CB C 13 44.914 0.076 . 1 . . . . . 809 ASP CB . 51699 1 485 . 1 . 1 60 60 ASP N N 15 128.014 0.142 . 1 . . . . . 809 ASP N . 51699 1 486 . 1 . 1 61 61 VAL H H 1 10.049 0.004 . 1 . . . . . 810 VAL H . 51699 1 487 . 1 . 1 61 61 VAL HA H 1 3.665 0.003 . 1 . . . . . 810 VAL HA . 51699 1 488 . 1 . 1 61 61 VAL HB H 1 1.983 0.003 . 1 . . . . . 810 VAL HB . 51699 1 489 . 1 . 1 61 61 VAL HG11 H 1 0.991 0.001 . 2 . . . . . 810 VAL HG11 . 51699 1 490 . 1 . 1 61 61 VAL HG12 H 1 0.991 0.001 . 2 . . . . . 810 VAL HG12 . 51699 1 491 . 1 . 1 61 61 VAL HG13 H 1 0.991 0.001 . 2 . . . . . 810 VAL HG13 . 51699 1 492 . 1 . 1 61 61 VAL HG21 H 1 0.936 0.001 . 2 . . . . . 810 VAL HG21 . 51699 1 493 . 1 . 1 61 61 VAL HG22 H 1 0.936 0.001 . 2 . . . . . 810 VAL HG22 . 51699 1 494 . 1 . 1 61 61 VAL HG23 H 1 0.936 0.001 . 2 . . . . . 810 VAL HG23 . 51699 1 495 . 1 . 1 61 61 VAL C C 13 172.402 0.029 . 1 . . . . . 810 VAL C . 51699 1 496 . 1 . 1 61 61 VAL CA C 13 64.355 0.024 . 1 . . . . . 810 VAL CA . 51699 1 497 . 1 . 1 61 61 VAL CB C 13 31.177 0.000 . 1 . . . . . 810 VAL CB . 51699 1 498 . 1 . 1 61 61 VAL CG2 C 13 21.588 0.000 . 1 . . . . . 810 VAL CG2 . 51699 1 499 . 1 . 1 61 61 VAL N N 15 127.930 0.169 . 1 . . . . . 810 VAL N . 51699 1 500 . 1 . 1 62 62 ALA H H 1 9.530 0.004 . 1 . . . . . 811 ALA H . 51699 1 501 . 1 . 1 62 62 ALA HA H 1 3.877 0.006 . 1 . . . . . 811 ALA HA . 51699 1 502 . 1 . 1 62 62 ALA HB1 H 1 1.200 0.006 . 1 . . . . . 811 ALA HB1 . 51699 1 503 . 1 . 1 62 62 ALA HB2 H 1 1.200 0.006 . 1 . . . . . 811 ALA HB2 . 51699 1 504 . 1 . 1 62 62 ALA HB3 H 1 1.200 0.006 . 1 . . . . . 811 ALA HB3 . 51699 1 505 . 1 . 1 62 62 ALA C C 13 172.822 0.000 . 1 . . . . . 811 ALA C . 51699 1 506 . 1 . 1 62 62 ALA CA C 13 52.077 0.077 . 1 . . . . . 811 ALA CA . 51699 1 507 . 1 . 1 62 62 ALA CB C 13 16.594 0.068 . 1 . . . . . 811 ALA CB . 51699 1 508 . 1 . 1 62 62 ALA N N 15 130.638 0.103 . 1 . . . . . 811 ALA N . 51699 1 509 . 1 . 1 63 63 GLY H H 1 7.156 0.003 . 1 . . . . . 812 GLY H . 51699 1 510 . 1 . 1 63 63 GLY C C 13 181.606 0.018 . 1 . . . . . 812 GLY C . 51699 1 511 . 1 . 1 63 63 GLY CA C 13 45.393 0.000 . 1 . . . . . 812 GLY CA . 51699 1 512 . 1 . 1 63 63 GLY N N 15 104.850 0.130 . 1 . . . . . 812 GLY N . 51699 1 513 . 1 . 1 64 64 TYR H H 1 7.412 0.003 . 1 . . . . . 813 TYR H . 51699 1 514 . 1 . 1 64 64 TYR HA H 1 5.170 0.010 . 1 . . . . . 813 TYR HA . 51699 1 515 . 1 . 1 64 64 TYR HB2 H 1 2.578 0.000 . 2 . . . . . 813 TYR HB2 . 51699 1 516 . 1 . 1 64 64 TYR HB3 H 1 3.031 0.001 . 2 . . . . . 813 TYR HB3 . 51699 1 517 . 1 . 1 64 64 TYR C C 13 171.360 0.027 . 1 . . . . . 813 TYR C . 51699 1 518 . 1 . 1 64 64 TYR CA C 13 55.717 0.048 . 1 . . . . . 813 TYR CA . 51699 1 519 . 1 . 1 64 64 TYR CB C 13 42.011 0.025 . 1 . . . . . 813 TYR CB . 51699 1 520 . 1 . 1 64 64 TYR N N 15 113.661 0.106 . 1 . . . . . 813 TYR N . 51699 1 521 . 1 . 1 65 65 LYS H H 1 9.018 0.004 . 1 . . . . . 814 LYS H . 51699 1 522 . 1 . 1 65 65 LYS HA H 1 4.637 0.002 . 1 . . . . . 814 LYS HA . 51699 1 523 . 1 . 1 65 65 LYS HB2 H 1 1.649 0.007 . 2 . . . . . 814 LYS HB2 . 51699 1 524 . 1 . 1 65 65 LYS HB3 H 1 1.775 0.006 . 2 . . . . . 814 LYS HB3 . 51699 1 525 . 1 . 1 65 65 LYS HG2 H 1 1.306 0.006 . 2 . . . . . 814 LYS HG2 . 51699 1 526 . 1 . 1 65 65 LYS HG3 H 1 1.311 0.006 . 2 . . . . . 814 LYS HG3 . 51699 1 527 . 1 . 1 65 65 LYS HD2 H 1 1.615 0.002 . 2 . . . . . 814 LYS HD2 . 51699 1 528 . 1 . 1 65 65 LYS HD3 H 1 1.628 0.012 . 2 . . . . . 814 LYS HD3 . 51699 1 529 . 1 . 1 65 65 LYS HE2 H 1 2.897 0.011 . 2 . . . . . 814 LYS HE2 . 51699 1 530 . 1 . 1 65 65 LYS HE3 H 1 2.902 0.009 . 2 . . . . . 814 LYS HE3 . 51699 1 531 . 1 . 1 65 65 LYS C C 13 172.440 0.008 . 1 . . . . . 814 LYS C . 51699 1 532 . 1 . 1 65 65 LYS CA C 13 54.711 0.095 . 1 . . . . . 814 LYS CA . 51699 1 533 . 1 . 1 65 65 LYS CB C 13 36.194 0.032 . 1 . . . . . 814 LYS CB . 51699 1 534 . 1 . 1 65 65 LYS CG C 13 24.889 0.002 . 1 . . . . . 814 LYS CG . 51699 1 535 . 1 . 1 65 65 LYS CD C 13 28.880 0.000 . 1 . . . . . 814 LYS CD . 51699 1 536 . 1 . 1 65 65 LYS CE C 13 42.789 0.002 . 1 . . . . . 814 LYS CE . 51699 1 537 . 1 . 1 65 65 LYS N N 15 119.934 0.145 . 1 . . . . . 814 LYS N . 51699 1 538 . 1 . 1 66 66 CYS H H 1 8.933 0.004 . 1 . . . . . 815 CYS H . 51699 1 539 . 1 . 1 66 66 CYS HA H 1 5.433 0.002 . 1 . . . . . 815 CYS HA . 51699 1 540 . 1 . 1 66 66 CYS HB2 H 1 2.809 0.006 . 2 . . . . . 815 CYS HB2 . 51699 1 541 . 1 . 1 66 66 CYS HB3 H 1 2.610 0.014 . 2 . . . . . 815 CYS HB3 . 51699 1 542 . 1 . 1 66 66 CYS C C 13 171.450 0.006 . 1 . . . . . 815 CYS C . 51699 1 543 . 1 . 1 66 66 CYS CA C 13 53.601 0.059 . 1 . . . . . 815 CYS CA . 51699 1 544 . 1 . 1 66 66 CYS CB C 13 42.387 0.085 . 1 . . . . . 815 CYS CB . 51699 1 545 . 1 . 1 66 66 CYS N N 15 119.042 0.166 . 1 . . . . . 815 CYS N . 51699 1 546 . 1 . 1 67 67 ASN H H 1 9.472 0.006 . 1 . . . . . 816 ASN H . 51699 1 547 . 1 . 1 67 67 ASN HA H 1 5.050 0.003 . 1 . . . . . 816 ASN HA . 51699 1 548 . 1 . 1 67 67 ASN HB2 H 1 2.897 0.014 . 2 . . . . . 816 ASN HB2 . 51699 1 549 . 1 . 1 67 67 ASN HB3 H 1 2.654 0.008 . 2 . . . . . 816 ASN HB3 . 51699 1 550 . 1 . 1 67 67 ASN C C 13 172.364 0.021 . 1 . . . . . 816 ASN C . 51699 1 551 . 1 . 1 67 67 ASN CA C 13 51.900 0.026 . 1 . . . . . 816 ASN CA . 51699 1 552 . 1 . 1 67 67 ASN CB C 13 38.488 0.049 . 1 . . . . . 816 ASN CB . 51699 1 553 . 1 . 1 67 67 ASN N N 15 124.926 0.138 . 1 . . . . . 816 ASN N . 51699 1 554 . 1 . 1 68 68 CYS H H 1 8.917 0.008 . 1 . . . . . 817 CYS H . 51699 1 555 . 1 . 1 68 68 CYS HB2 H 1 2.947 0.000 . 2 . . . . . 817 CYS HB2 . 51699 1 556 . 1 . 1 68 68 CYS HB3 H 1 2.638 0.000 . 2 . . . . . 817 CYS HB3 . 51699 1 557 . 1 . 1 68 68 CYS C C 13 171.673 0.008 . 1 . . . . . 817 CYS C . 51699 1 558 . 1 . 1 68 68 CYS CA C 13 53.456 0.033 . 1 . . . . . 817 CYS CA . 51699 1 559 . 1 . 1 68 68 CYS CB C 13 38.585 0.081 . 1 . . . . . 817 CYS CB . 51699 1 560 . 1 . 1 68 68 CYS N N 15 123.955 0.104 . 1 . . . . . 817 CYS N . 51699 1 561 . 1 . 1 69 69 LEU H H 1 8.786 0.003 . 1 . . . . . 818 LEU H . 51699 1 562 . 1 . 1 69 69 LEU HA H 1 4.596 0.007 . 1 . . . . . 818 LEU HA . 51699 1 563 . 1 . 1 69 69 LEU HB2 H 1 1.627 0.008 . 2 . . . . . 818 LEU HB2 . 51699 1 564 . 1 . 1 69 69 LEU HB3 H 1 1.624 0.007 . 2 . . . . . 818 LEU HB3 . 51699 1 565 . 1 . 1 69 69 LEU HG H 1 1.646 0.008 . 1 . . . . . 818 LEU HG . 51699 1 566 . 1 . 1 69 69 LEU HD11 H 1 0.949 0.000 . 2 . . . . . 818 LEU HD11 . 51699 1 567 . 1 . 1 69 69 LEU HD12 H 1 0.949 0.000 . 2 . . . . . 818 LEU HD12 . 51699 1 568 . 1 . 1 69 69 LEU HD13 H 1 0.949 0.000 . 2 . . . . . 818 LEU HD13 . 51699 1 569 . 1 . 1 69 69 LEU HD21 H 1 0.902 0.001 . 2 . . . . . 818 LEU HD21 . 51699 1 570 . 1 . 1 69 69 LEU HD22 H 1 0.902 0.001 . 2 . . . . . 818 LEU HD22 . 51699 1 571 . 1 . 1 69 69 LEU HD23 H 1 0.902 0.001 . 2 . . . . . 818 LEU HD23 . 51699 1 572 . 1 . 1 69 69 LEU C C 13 173.751 0.006 . 1 . . . . . 818 LEU C . 51699 1 573 . 1 . 1 69 69 LEU CA C 13 53.420 0.022 . 1 . . . . . 818 LEU CA . 51699 1 574 . 1 . 1 69 69 LEU CB C 13 43.120 0.001 . 1 . . . . . 818 LEU CB . 51699 1 575 . 1 . 1 69 69 LEU CG C 13 26.941 0.000 . 1 . . . . . 818 LEU CG . 51699 1 576 . 1 . 1 69 69 LEU CD1 C 13 25.413 0.000 . 2 . . . . . 818 LEU CD1 . 51699 1 577 . 1 . 1 69 69 LEU CD2 C 13 23.530 0.000 . 2 . . . . . 818 LEU CD2 . 51699 1 578 . 1 . 1 69 69 LEU N N 15 125.031 0.107 . 1 . . . . . 818 LEU N . 51699 1 579 . 1 . 1 70 70 LEU H H 1 8.428 0.003 . 1 . . . . . 819 LEU H . 51699 1 580 . 1 . 1 70 70 LEU C C 13 173.175 0.000 . 1 . . . . . 819 LEU C . 51699 1 581 . 1 . 1 70 70 LEU CA C 13 54.503 0.000 . 1 . . . . . 819 LEU CA . 51699 1 582 . 1 . 1 70 70 LEU CB C 13 40.859 0.000 . 1 . . . . . 819 LEU CB . 51699 1 583 . 1 . 1 70 70 LEU N N 15 123.777 0.083 . 1 . . . . . 819 LEU N . 51699 1 584 . 1 . 1 71 71 PRO HD2 H 1 3.701 0.000 . 1 . . . . . 820 PRO HD2 . 51699 1 585 . 1 . 1 71 71 PRO C C 13 169.723 0.000 . 1 . . . . . 820 PRO C . 51699 1 586 . 1 . 1 71 71 PRO CA C 13 63.334 0.006 . 1 . . . . . 820 PRO CA . 51699 1 587 . 1 . 1 71 71 PRO CB C 13 32.471 0.074 . 1 . . . . . 820 PRO CB . 51699 1 588 . 1 . 1 72 72 TYR H H 1 9.060 0.007 . 1 . . . . . 821 TYR H . 51699 1 589 . 1 . 1 72 72 TYR HA H 1 5.016 0.013 . 1 . . . . . 821 TYR HA . 51699 1 590 . 1 . 1 72 72 TYR HB2 H 1 2.976 0.011 . 2 . . . . . 821 TYR HB2 . 51699 1 591 . 1 . 1 72 72 TYR HB3 H 1 3.105 0.018 . 2 . . . . . 821 TYR HB3 . 51699 1 592 . 1 . 1 72 72 TYR C C 13 172.313 0.026 . 1 . . . . . 821 TYR C . 51699 1 593 . 1 . 1 72 72 TYR CA C 13 58.859 0.051 . 1 . . . . . 821 TYR CA . 51699 1 594 . 1 . 1 72 72 TYR CB C 13 38.780 0.041 . 1 . . . . . 821 TYR CB . 51699 1 595 . 1 . 1 72 72 TYR N N 15 125.428 0.133 . 1 . . . . . 821 TYR N . 51699 1 596 . 1 . 1 73 73 THR H H 1 9.081 0.003 . 1 . . . . . 822 THR H . 51699 1 597 . 1 . 1 73 73 THR HA H 1 4.517 0.008 . 1 . . . . . 822 THR HA . 51699 1 598 . 1 . 1 73 73 THR HB H 1 3.953 0.011 . 1 . . . . . 822 THR HB . 51699 1 599 . 1 . 1 73 73 THR HG21 H 1 0.953 0.010 . 1 . . . . . 822 THR HG21 . 51699 1 600 . 1 . 1 73 73 THR HG22 H 1 0.953 0.010 . 1 . . . . . 822 THR HG22 . 51699 1 601 . 1 . 1 73 73 THR HG23 H 1 0.953 0.010 . 1 . . . . . 822 THR HG23 . 51699 1 602 . 1 . 1 73 73 THR C C 13 170.433 0.001 . 1 . . . . . 822 THR C . 51699 1 603 . 1 . 1 73 73 THR CA C 13 59.868 0.059 . 1 . . . . . 822 THR CA . 51699 1 604 . 1 . 1 73 73 THR CB C 13 70.189 0.088 . 1 . . . . . 822 THR CB . 51699 1 605 . 1 . 1 73 73 THR CG2 C 13 19.193 0.062 . 1 . . . . . 822 THR CG2 . 51699 1 606 . 1 . 1 73 73 THR N N 15 114.438 0.172 . 1 . . . . . 822 THR N . 51699 1 607 . 1 . 1 74 74 GLY H H 1 7.907 0.004 . 1 . . . . . 823 GLY H . 51699 1 608 . 1 . 1 74 74 GLY C C 13 173.582 0.012 . 1 . . . . . 823 GLY C . 51699 1 609 . 1 . 1 74 74 GLY CA C 13 43.573 0.076 . 1 . . . . . 823 GLY CA . 51699 1 610 . 1 . 1 74 74 GLY N N 15 108.178 0.184 . 1 . . . . . 823 GLY N . 51699 1 611 . 1 . 1 75 75 ALA H H 1 9.168 0.007 . 1 . . . . . 824 ALA H . 51699 1 612 . 1 . 1 75 75 ALA HA H 1 4.102 0.005 . 1 . . . . . 824 ALA HA . 51699 1 613 . 1 . 1 75 75 ALA HB1 H 1 1.531 0.006 . 1 . . . . . 824 ALA HB1 . 51699 1 614 . 1 . 1 75 75 ALA HB2 H 1 1.531 0.006 . 1 . . . . . 824 ALA HB2 . 51699 1 615 . 1 . 1 75 75 ALA HB3 H 1 1.531 0.006 . 1 . . . . . 824 ALA HB3 . 51699 1 616 . 1 . 1 75 75 ALA C C 13 176.612 0.003 . 1 . . . . . 824 ALA C . 51699 1 617 . 1 . 1 75 75 ALA CA C 13 55.475 0.061 . 1 . . . . . 824 ALA CA . 51699 1 618 . 1 . 1 75 75 ALA CB C 13 19.110 0.075 . 1 . . . . . 824 ALA CB . 51699 1 619 . 1 . 1 75 75 ALA N N 15 124.067 0.137 . 1 . . . . . 824 ALA N . 51699 1 620 . 1 . 1 76 76 THR H H 1 8.631 0.006 . 1 . . . . . 825 THR H . 51699 1 621 . 1 . 1 76 76 THR HA H 1 5.061 0.013 . 1 . . . . . 825 THR HA . 51699 1 622 . 1 . 1 76 76 THR HB H 1 4.958 0.001 . 1 . . . . . 825 THR HB . 51699 1 623 . 1 . 1 76 76 THR HG21 H 1 1.156 0.002 . 1 . . . . . 825 THR HG21 . 51699 1 624 . 1 . 1 76 76 THR HG22 H 1 1.156 0.002 . 1 . . . . . 825 THR HG22 . 51699 1 625 . 1 . 1 76 76 THR HG23 H 1 1.156 0.002 . 1 . . . . . 825 THR HG23 . 51699 1 626 . 1 . 1 76 76 THR C C 13 171.712 0.000 . 1 . . . . . 825 THR C . 51699 1 627 . 1 . 1 76 76 THR CA C 13 59.806 0.012 . 1 . . . . . 825 THR CA . 51699 1 628 . 1 . 1 76 76 THR CB C 13 68.826 0.041 . 1 . . . . . 825 THR CB . 51699 1 629 . 1 . 1 76 76 THR CG2 C 13 23.186 0.049 . 1 . . . . . 825 THR CG2 . 51699 1 630 . 1 . 1 76 76 THR N N 15 103.480 0.145 . 1 . . . . . 825 THR N . 51699 1 631 . 1 . 1 77 77 CYS HA H 1 4.260 0.001 . 1 . . . . . 826 CYS HA . 51699 1 632 . 1 . 1 77 77 CYS HB2 H 1 3.527 0.000 . 2 . . . . . 826 CYS HB2 . 51699 1 633 . 1 . 1 77 77 CYS HB3 H 1 3.185 0.000 . 2 . . . . . 826 CYS HB3 . 51699 1 634 . 1 . 1 77 77 CYS C C 13 171.471 0.000 . 1 . . . . . 826 CYS C . 51699 1 635 . 1 . 1 77 77 CYS CA C 13 54.468 0.087 . 1 . . . . . 826 CYS CA . 51699 1 636 . 1 . 1 77 77 CYS CB C 13 35.382 0.008 . 1 . . . . . 826 CYS CB . 51699 1 637 . 1 . 1 78 78 GLU H H 1 9.844 0.010 . 1 . . . . . 827 GLU H . 51699 1 638 . 1 . 1 78 78 GLU HA H 1 4.218 0.003 . 1 . . . . . 827 GLU HA . 51699 1 639 . 1 . 1 78 78 GLU HB2 H 1 1.986 0.001 . 2 . . . . . 827 GLU HB2 . 51699 1 640 . 1 . 1 78 78 GLU HB3 H 1 2.080 0.001 . 2 . . . . . 827 GLU HB3 . 51699 1 641 . 1 . 1 78 78 GLU HG2 H 1 2.179 0.001 . 1 . . . . . 827 GLU HG2 . 51699 1 642 . 1 . 1 78 78 GLU HG3 H 1 2.180 0.002 . 1 . . . . . 827 GLU HG3 . 51699 1 643 . 1 . 1 78 78 GLU C C 13 174.011 0.001 . 1 . . . . . 827 GLU C . 51699 1 644 . 1 . 1 78 78 GLU CA C 13 56.788 0.035 . 1 . . . . . 827 GLU CA . 51699 1 645 . 1 . 1 78 78 GLU CB C 13 30.409 0.030 . 1 . . . . . 827 GLU CB . 51699 1 646 . 1 . 1 78 78 GLU CG C 13 37.059 0.000 . 1 . . . . . 827 GLU CG . 51699 1 647 . 1 . 1 78 78 GLU N N 15 118.803 0.137 . 1 . . . . . 827 GLU N . 51699 1 648 . 1 . 1 79 79 VAL H H 1 8.493 0.009 . 1 . . . . . 828 VAL H . 51699 1 649 . 1 . 1 79 79 VAL HA H 1 4.118 0.007 . 1 . . . . . 828 VAL HA . 51699 1 650 . 1 . 1 79 79 VAL HB H 1 1.784 0.003 . 1 . . . . . 828 VAL HB . 51699 1 651 . 1 . 1 79 79 VAL HG11 H 1 0.747 0.002 . 2 . . . . . 828 VAL HG11 . 51699 1 652 . 1 . 1 79 79 VAL HG12 H 1 0.747 0.002 . 2 . . . . . 828 VAL HG12 . 51699 1 653 . 1 . 1 79 79 VAL HG13 H 1 0.747 0.002 . 2 . . . . . 828 VAL HG13 . 51699 1 654 . 1 . 1 79 79 VAL HG21 H 1 0.903 0.007 . 2 . . . . . 828 VAL HG21 . 51699 1 655 . 1 . 1 79 79 VAL HG22 H 1 0.903 0.007 . 2 . . . . . 828 VAL HG22 . 51699 1 656 . 1 . 1 79 79 VAL HG23 H 1 0.903 0.007 . 2 . . . . . 828 VAL HG23 . 51699 1 657 . 1 . 1 79 79 VAL C C 13 171.465 0.014 . 1 . . . . . 828 VAL C . 51699 1 658 . 1 . 1 79 79 VAL CA C 13 62.048 0.030 . 1 . . . . . 828 VAL CA . 51699 1 659 . 1 . 1 79 79 VAL CB C 13 33.199 0.001 . 1 . . . . . 828 VAL CB . 51699 1 660 . 1 . 1 79 79 VAL CG1 C 13 21.291 0.002 . 2 . . . . . 828 VAL CG1 . 51699 1 661 . 1 . 1 79 79 VAL CG2 C 13 21.294 0.000 . 2 . . . . . 828 VAL CG2 . 51699 1 662 . 1 . 1 79 79 VAL N N 15 125.030 0.048 . 1 . . . . . 828 VAL N . 51699 1 663 . 1 . 1 80 80 VAL H H 1 8.271 0.006 . 1 . . . . . 829 VAL H . 51699 1 664 . 1 . 1 80 80 VAL HA H 1 4.101 0.016 . 1 . . . . . 829 VAL HA . 51699 1 665 . 1 . 1 80 80 VAL HB H 1 1.802 0.003 . 1 . . . . . 829 VAL HB . 51699 1 666 . 1 . 1 80 80 VAL HG11 H 1 0.750 0.001 . 2 . . . . . 829 VAL HG11 . 51699 1 667 . 1 . 1 80 80 VAL HG12 H 1 0.750 0.001 . 2 . . . . . 829 VAL HG12 . 51699 1 668 . 1 . 1 80 80 VAL HG13 H 1 0.750 0.001 . 2 . . . . . 829 VAL HG13 . 51699 1 669 . 1 . 1 80 80 VAL HG21 H 1 0.597 0.002 . 2 . . . . . 829 VAL HG21 . 51699 1 670 . 1 . 1 80 80 VAL HG22 H 1 0.597 0.002 . 2 . . . . . 829 VAL HG22 . 51699 1 671 . 1 . 1 80 80 VAL HG23 H 1 0.597 0.002 . 2 . . . . . 829 VAL HG23 . 51699 1 672 . 1 . 1 80 80 VAL C C 13 173.698 0.012 . 1 . . . . . 829 VAL C . 51699 1 673 . 1 . 1 80 80 VAL CA C 13 61.189 0.025 . 1 . . . . . 829 VAL CA . 51699 1 674 . 1 . 1 80 80 VAL CB C 13 33.356 0.052 . 1 . . . . . 829 VAL CB . 51699 1 675 . 1 . 1 80 80 VAL CG1 C 13 20.808 0.000 . 2 . . . . . 829 VAL CG1 . 51699 1 676 . 1 . 1 80 80 VAL CG2 C 13 20.773 0.027 . 2 . . . . . 829 VAL CG2 . 51699 1 677 . 1 . 1 80 80 VAL N N 15 125.214 0.156 . 1 . . . . . 829 VAL N . 51699 1 678 . 1 . 1 81 81 LEU H H 1 8.754 0.000 . 1 . . . . . 830 LEU H . 51699 1 679 . 1 . 1 81 81 LEU HA H 1 4.181 0.002 . 1 . . . . . 830 LEU HA . 51699 1 680 . 1 . 1 81 81 LEU HB2 H 1 1.694 0.002 . 2 . . . . . 830 LEU HB2 . 51699 1 681 . 1 . 1 81 81 LEU HB3 H 1 1.501 0.001 . 2 . . . . . 830 LEU HB3 . 51699 1 682 . 1 . 1 81 81 LEU HG H 1 1.404 0.005 . 1 . . . . . 830 LEU HG . 51699 1 683 . 1 . 1 81 81 LEU HD11 H 1 0.760 0.000 . 2 . . . . . 830 LEU HD11 . 51699 1 684 . 1 . 1 81 81 LEU HD12 H 1 0.760 0.000 . 2 . . . . . 830 LEU HD12 . 51699 1 685 . 1 . 1 81 81 LEU HD13 H 1 0.760 0.000 . 2 . . . . . 830 LEU HD13 . 51699 1 686 . 1 . 1 81 81 LEU HD21 H 1 0.681 0.000 . 2 . . . . . 830 LEU HD21 . 51699 1 687 . 1 . 1 81 81 LEU HD22 H 1 0.681 0.000 . 2 . . . . . 830 LEU HD22 . 51699 1 688 . 1 . 1 81 81 LEU HD23 H 1 0.681 0.000 . 2 . . . . . 830 LEU HD23 . 51699 1 689 . 1 . 1 81 81 LEU C C 13 172.884 0.059 . 1 . . . . . 830 LEU C . 51699 1 690 . 1 . 1 81 81 LEU CA C 13 55.281 0.056 . 1 . . . . . 830 LEU CA . 51699 1 691 . 1 . 1 81 81 LEU CB C 13 42.294 0.000 . 1 . . . . . 830 LEU CB . 51699 1 692 . 1 . 1 81 81 LEU CG C 13 26.706 0.000 . 1 . . . . . 830 LEU CG . 51699 1 693 . 1 . 1 81 81 LEU CD1 C 13 23.059 0.000 . 2 . . . . . 830 LEU CD1 . 51699 1 694 . 1 . 1 81 81 LEU CD2 C 13 25.648 0.000 . 2 . . . . . 830 LEU CD2 . 51699 1 695 . 1 . 1 81 81 LEU N N 15 130.142 0.131 . 1 . . . . . 830 LEU N . 51699 1 696 . 1 . 1 82 82 ALA H H 1 8.483 0.009 . 1 . . . . . 831 ALA H . 51699 1 697 . 1 . 1 82 82 ALA HA H 1 4.770 0.000 . 1 . . . . . 831 ALA HA . 51699 1 698 . 1 . 1 82 82 ALA HB1 H 1 1.235 0.002 . 1 . . . . . 831 ALA HB1 . 51699 1 699 . 1 . 1 82 82 ALA HB2 H 1 1.235 0.002 . 1 . . . . . 831 ALA HB2 . 51699 1 700 . 1 . 1 82 82 ALA HB3 H 1 1.235 0.002 . 1 . . . . . 831 ALA HB3 . 51699 1 701 . 1 . 1 82 82 ALA C C 13 172.223 0.000 . 1 . . . . . 831 ALA C . 51699 1 702 . 1 . 1 82 82 ALA CA C 13 50.429 0.000 . 1 . . . . . 831 ALA CA . 51699 1 703 . 1 . 1 82 82 ALA CB C 13 19.325 0.051 . 1 . . . . . 831 ALA CB . 51699 1 704 . 1 . 1 82 82 ALA N N 15 124.673 0.099 . 1 . . . . . 831 ALA N . 51699 1 705 . 1 . 1 84 84 CYS C C 13 170.637 0.000 . 1 . . . . . 833 CYS C . 51699 1 706 . 1 . 1 84 84 CYS CA C 13 52.716 0.000 . 1 . . . . . 833 CYS CA . 51699 1 707 . 1 . 1 85 85 ALA H H 1 7.331 0.004 . 1 . . . . . 834 ALA H . 51699 1 708 . 1 . 1 85 85 ALA HA H 1 4.681 0.000 . 1 . . . . . 834 ALA HA . 51699 1 709 . 1 . 1 85 85 ALA HB1 H 1 1.147 0.001 . 1 . . . . . 834 ALA HB1 . 51699 1 710 . 1 . 1 85 85 ALA HB2 H 1 1.147 0.001 . 1 . . . . . 834 ALA HB2 . 51699 1 711 . 1 . 1 85 85 ALA HB3 H 1 1.147 0.001 . 1 . . . . . 834 ALA HB3 . 51699 1 712 . 1 . 1 85 85 ALA CA C 13 49.020 0.022 . 1 . . . . . 834 ALA CA . 51699 1 713 . 1 . 1 85 85 ALA CB C 13 20.500 0.000 . 1 . . . . . 834 ALA CB . 51699 1 714 . 1 . 1 85 85 ALA N N 15 124.614 0.123 . 1 . . . . . 834 ALA N . 51699 1 715 . 1 . 1 88 88 PRO C C 13 174.262 0.000 . 1 . . . . . 837 PRO C . 51699 1 716 . 1 . 1 89 89 CYS H H 1 7.573 0.006 . 1 . . . . . 838 CYS H . 51699 1 717 . 1 . 1 89 89 CYS C C 13 171.497 0.000 . 1 . . . . . 838 CYS C . 51699 1 718 . 1 . 1 89 89 CYS CA C 13 53.622 0.049 . 1 . . . . . 838 CYS CA . 51699 1 719 . 1 . 1 89 89 CYS N N 15 116.193 0.163 . 1 . . . . . 838 CYS N . 51699 1 720 . 1 . 1 90 90 ARG H H 1 8.342 0.004 . 1 . . . . . 839 ARG H . 51699 1 721 . 1 . 1 90 90 ARG C C 13 173.202 0.020 . 1 . . . . . 839 ARG C . 51699 1 722 . 1 . 1 90 90 ARG CA C 13 53.963 0.043 . 1 . . . . . 839 ARG CA . 51699 1 723 . 1 . 1 90 90 ARG CB C 13 31.647 0.000 . 1 . . . . . 839 ARG CB . 51699 1 724 . 1 . 1 90 90 ARG N N 15 124.132 0.104 . 1 . . . . . 839 ARG N . 51699 1 725 . 1 . 1 91 91 ASN H H 1 8.572 0.008 . 1 . . . . . 840 ASN H . 51699 1 726 . 1 . 1 91 91 ASN HA H 1 3.896 0.000 . 1 . . . . . 840 ASN HA . 51699 1 727 . 1 . 1 91 91 ASN HB2 H 1 1.709 0.000 . 1 . . . . . 840 ASN HB2 . 51699 1 728 . 1 . 1 91 91 ASN C C 13 171.374 0.011 . 1 . . . . . 840 ASN C . 51699 1 729 . 1 . 1 91 91 ASN CA C 13 54.948 0.071 . 1 . . . . . 840 ASN CA . 51699 1 730 . 1 . 1 91 91 ASN CB C 13 35.868 0.032 . 1 . . . . . 840 ASN CB . 51699 1 731 . 1 . 1 91 91 ASN N N 15 111.800 0.143 . 1 . . . . . 840 ASN N . 51699 1 732 . 1 . 1 92 92 GLY H H 1 8.332 0.021 . 1 . . . . . 841 GLY H . 51699 1 733 . 1 . 1 92 92 GLY C C 13 173.511 0.000 . 1 . . . . . 841 GLY C . 51699 1 734 . 1 . 1 92 92 GLY CA C 13 45.036 0.037 . 1 . . . . . 841 GLY CA . 51699 1 735 . 1 . 1 92 92 GLY N N 15 102.834 0.142 . 1 . . . . . 841 GLY N . 51699 1 736 . 1 . 1 93 93 GLY H H 1 7.686 0.020 . 1 . . . . . 842 GLY H . 51699 1 737 . 1 . 1 93 93 GLY C C 13 168.509 0.000 . 1 . . . . . 842 GLY C . 51699 1 738 . 1 . 1 93 93 GLY CA C 13 46.140 0.043 . 1 . . . . . 842 GLY CA . 51699 1 739 . 1 . 1 93 93 GLY N N 15 106.123 0.115 . 1 . . . . . 842 GLY N . 51699 1 740 . 1 . 1 94 94 GLU H H 1 8.253 0.002 . 1 . . . . . 843 GLU H . 51699 1 741 . 1 . 1 94 94 GLU CA C 13 54.991 0.000 . 1 . . . . . 843 GLU CA . 51699 1 742 . 1 . 1 94 94 GLU CB C 13 32.278 0.000 . 1 . . . . . 843 GLU CB . 51699 1 743 . 1 . 1 94 94 GLU N N 15 122.310 0.000 . 1 . . . . . 843 GLU N . 51699 1 744 . 1 . 1 95 95 CYS C C 13 171.475 0.000 . 1 . . . . . 844 CYS C . 51699 1 745 . 1 . 1 95 95 CYS CA C 13 57.946 0.000 . 1 . . . . . 844 CYS CA . 51699 1 746 . 1 . 1 96 96 ARG H H 1 9.497 0.019 . 1 . . . . . 845 ARG H . 51699 1 747 . 1 . 1 96 96 ARG C C 13 172.652 0.002 . 1 . . . . . 845 ARG C . 51699 1 748 . 1 . 1 96 96 ARG CA C 13 54.695 0.027 . 1 . . . . . 845 ARG CA . 51699 1 749 . 1 . 1 96 96 ARG N N 15 130.599 0.193 . 1 . . . . . 845 ARG N . 51699 1 750 . 1 . 1 97 97 GLN H H 1 8.896 0.005 . 1 . . . . . 846 GLN H . 51699 1 751 . 1 . 1 97 97 GLN HA H 1 4.567 0.004 . 1 . . . . . 846 GLN HA . 51699 1 752 . 1 . 1 97 97 GLN HB2 H 1 1.884 0.015 . 2 . . . . . 846 GLN HB2 . 51699 1 753 . 1 . 1 97 97 GLN HB3 H 1 1.919 0.000 . 2 . . . . . 846 GLN HB3 . 51699 1 754 . 1 . 1 97 97 GLN HG2 H 1 2.175 0.007 . 2 . . . . . 846 GLN HG2 . 51699 1 755 . 1 . 1 97 97 GLN HG3 H 1 2.167 0.000 . 2 . . . . . 846 GLN HG3 . 51699 1 756 . 1 . 1 97 97 GLN C C 13 172.890 0.017 . 1 . . . . . 846 GLN C . 51699 1 757 . 1 . 1 97 97 GLN CA C 13 55.395 0.059 . 1 . . . . . 846 GLN CA . 51699 1 758 . 1 . 1 97 97 GLN CB C 13 30.480 0.001 . 1 . . . . . 846 GLN CB . 51699 1 759 . 1 . 1 97 97 GLN CG C 13 34.310 0.018 . 1 . . . . . 846 GLN CG . 51699 1 760 . 1 . 1 97 97 GLN N N 15 124.832 0.119 . 1 . . . . . 846 GLN N . 51699 1 761 . 1 . 1 98 98 SER H H 1 8.284 0.027 . 1 . . . . . 847 SER H . 51699 1 762 . 1 . 1 98 98 SER HA H 1 4.243 0.001 . 1 . . . . . 847 SER HA . 51699 1 763 . 1 . 1 98 98 SER HB2 H 1 3.679 0.001 . 2 . . . . . 847 SER HB2 . 51699 1 764 . 1 . 1 98 98 SER HB3 H 1 3.679 0.000 . 2 . . . . . 847 SER HB3 . 51699 1 765 . 1 . 1 98 98 SER C C 13 173.286 0.000 . 1 . . . . . 847 SER C . 51699 1 766 . 1 . 1 98 98 SER CA C 13 58.399 0.068 . 1 . . . . . 847 SER CA . 51699 1 767 . 1 . 1 98 98 SER CB C 13 64.089 0.001 . 1 . . . . . 847 SER CB . 51699 1 768 . 1 . 1 98 98 SER N N 15 118.792 0.154 . 1 . . . . . 847 SER N . 51699 1 769 . 1 . 1 99 99 GLU H H 1 8.908 0.004 . 1 . . . . . 848 GLU H . 51699 1 770 . 1 . 1 99 99 GLU HA H 1 3.834 0.015 . 1 . . . . . 848 GLU HA . 51699 1 771 . 1 . 1 99 99 GLU HB2 H 1 1.957 0.008 . 1 . . . . . 848 GLU HB2 . 51699 1 772 . 1 . 1 99 99 GLU HB3 H 1 1.946 0.000 . 2 . . . . . 848 GLU HB3 . 51699 1 773 . 1 . 1 99 99 GLU HG2 H 1 2.263 0.000 . 2 . . . . . 848 GLU HG2 . 51699 1 774 . 1 . 1 99 99 GLU HG3 H 1 2.265 0.009 . 2 . . . . . 848 GLU HG3 . 51699 1 775 . 1 . 1 99 99 GLU C C 13 173.823 0.000 . 1 . . . . . 848 GLU C . 51699 1 776 . 1 . 1 99 99 GLU CA C 13 59.229 0.049 . 1 . . . . . 848 GLU CA . 51699 1 777 . 1 . 1 99 99 GLU CB C 13 29.353 0.079 . 1 . . . . . 848 GLU CB . 51699 1 778 . 1 . 1 99 99 GLU CG C 13 36.753 0.078 . 1 . . . . . 848 GLU CG . 51699 1 779 . 1 . 1 99 99 GLU N N 15 122.035 0.136 . 1 . . . . . 848 GLU N . 51699 1 780 . 1 . 1 100 100 ASP H H 1 7.612 0.011 . 1 . . . . . 849 ASP H . 51699 1 781 . 1 . 1 100 100 ASP HA H 1 4.466 0.004 . 1 . . . . . 849 ASP HA . 51699 1 782 . 1 . 1 100 100 ASP HB2 H 1 2.516 0.001 . 2 . . . . . 849 ASP HB2 . 51699 1 783 . 1 . 1 100 100 ASP HB3 H 1 2.763 0.000 . 2 . . . . . 849 ASP HB3 . 51699 1 784 . 1 . 1 100 100 ASP C C 13 172.948 0.018 . 1 . . . . . 849 ASP C . 51699 1 785 . 1 . 1 100 100 ASP CA C 13 52.988 0.011 . 1 . . . . . 849 ASP CA . 51699 1 786 . 1 . 1 100 100 ASP CB C 13 40.369 0.001 . 1 . . . . . 849 ASP CB . 51699 1 787 . 1 . 1 100 100 ASP N N 15 114.261 0.158 . 1 . . . . . 849 ASP N . 51699 1 788 . 1 . 1 101 101 TYR H H 1 7.689 0.006 . 1 . . . . . 850 TYR H . 51699 1 789 . 1 . 1 101 101 TYR C C 13 171.224 0.000 . 1 . . . . . 850 TYR C . 51699 1 790 . 1 . 1 101 101 TYR CA C 13 61.205 0.033 . 1 . . . . . 850 TYR CA . 51699 1 791 . 1 . 1 101 101 TYR N N 15 112.357 0.040 . 1 . . . . . 850 TYR N . 51699 1 792 . 1 . 1 102 102 GLU H H 1 7.797 0.024 . 1 . . . . . 851 GLU H . 51699 1 793 . 1 . 1 102 102 GLU HA H 1 4.231 0.005 . 1 . . . . . 851 GLU HA . 51699 1 794 . 1 . 1 102 102 GLU HB2 H 1 1.751 0.002 . 2 . . . . . 851 GLU HB2 . 51699 1 795 . 1 . 1 102 102 GLU HB3 H 1 2.078 0.006 . 2 . . . . . 851 GLU HB3 . 51699 1 796 . 1 . 1 102 102 GLU HG2 H 1 2.177 0.018 . 2 . . . . . 851 GLU HG2 . 51699 1 797 . 1 . 1 102 102 GLU HG3 H 1 2.171 0.018 . 2 . . . . . 851 GLU HG3 . 51699 1 798 . 1 . 1 102 102 GLU C C 13 173.795 0.031 . 1 . . . . . 851 GLU C . 51699 1 799 . 1 . 1 102 102 GLU CA C 13 57.483 0.073 . 1 . . . . . 851 GLU CA . 51699 1 800 . 1 . 1 102 102 GLU CB C 13 30.789 0.014 . 1 . . . . . 851 GLU CB . 51699 1 801 . 1 . 1 102 102 GLU CG C 13 36.805 0.028 . 1 . . . . . 851 GLU CG . 51699 1 802 . 1 . 1 102 102 GLU N N 15 115.535 0.204 . 1 . . . . . 851 GLU N . 51699 1 803 . 1 . 1 103 103 SER H H 1 8.218 0.005 . 1 . . . . . 852 SER H . 51699 1 804 . 1 . 1 103 103 SER C C 13 168.959 0.010 . 1 . . . . . 852 SER C . 51699 1 805 . 1 . 1 103 103 SER CA C 13 57.130 0.027 . 1 . . . . . 852 SER CA . 51699 1 806 . 1 . 1 103 103 SER CB C 13 64.998 0.000 . 1 . . . . . 852 SER CB . 51699 1 807 . 1 . 1 103 103 SER N N 15 113.642 0.154 . 1 . . . . . 852 SER N . 51699 1 808 . 1 . 1 104 104 PHE H H 1 7.711 0.005 . 1 . . . . . 853 PHE H . 51699 1 809 . 1 . 1 104 104 PHE C C 13 171.098 0.000 . 1 . . . . . 853 PHE C . 51699 1 810 . 1 . 1 104 104 PHE CA C 13 55.462 0.005 . 1 . . . . . 853 PHE CA . 51699 1 811 . 1 . 1 104 104 PHE N N 15 114.819 0.004 . 1 . . . . . 853 PHE N . 51699 1 812 . 1 . 1 105 105 SER H H 1 8.914 0.004 . 1 . . . . . 854 SER H . 51699 1 813 . 1 . 1 105 105 SER HA H 1 4.583 0.001 . 1 . . . . . 854 SER HA . 51699 1 814 . 1 . 1 105 105 SER HB2 H 1 3.728 0.012 . 1 . . . . . 854 SER HB2 . 51699 1 815 . 1 . 1 105 105 SER HB3 H 1 3.728 0.012 . 1 . . . . . 854 SER HB3 . 51699 1 816 . 1 . 1 105 105 SER C C 13 170.260 0.011 . 1 . . . . . 854 SER C . 51699 1 817 . 1 . 1 105 105 SER CA C 13 57.391 0.067 . 1 . . . . . 854 SER CA . 51699 1 818 . 1 . 1 105 105 SER CB C 13 66.119 0.022 . 1 . . . . . 854 SER CB . 51699 1 819 . 1 . 1 105 105 SER N N 15 114.195 0.086 . 1 . . . . . 854 SER N . 51699 1 820 . 1 . 1 106 106 CYS H H 1 9.029 0.006 . 1 . . . . . 855 CYS H . 51699 1 821 . 1 . 1 106 106 CYS HA H 1 5.612 0.000 . 1 . . . . . 855 CYS HA . 51699 1 822 . 1 . 1 106 106 CYS HB2 H 1 2.548 0.000 . 2 . . . . . 855 CYS HB2 . 51699 1 823 . 1 . 1 106 106 CYS HB3 H 1 2.851 0.000 . 2 . . . . . 855 CYS HB3 . 51699 1 824 . 1 . 1 106 106 CYS C C 13 171.631 0.011 . 1 . . . . . 855 CYS C . 51699 1 825 . 1 . 1 106 106 CYS CA C 13 53.801 0.067 . 1 . . . . . 855 CYS CA . 51699 1 826 . 1 . 1 106 106 CYS CB C 13 43.955 0.000 . 1 . . . . . 855 CYS CB . 51699 1 827 . 1 . 1 106 106 CYS N N 15 118.854 0.145 . 1 . . . . . 855 CYS N . 51699 1 828 . 1 . 1 107 107 VAL H H 1 9.378 0.042 . 1 . . . . . 856 VAL H . 51699 1 829 . 1 . 1 107 107 VAL HA H 1 4.175 0.003 . 1 . . . . . 856 VAL HA . 51699 1 830 . 1 . 1 107 107 VAL HB H 1 2.072 0.001 . 1 . . . . . 856 VAL HB . 51699 1 831 . 1 . 1 107 107 VAL HG11 H 1 0.886 0.011 . 2 . . . . . 856 VAL HG11 . 51699 1 832 . 1 . 1 107 107 VAL HG12 H 1 0.886 0.011 . 2 . . . . . 856 VAL HG12 . 51699 1 833 . 1 . 1 107 107 VAL HG13 H 1 0.886 0.011 . 2 . . . . . 856 VAL HG13 . 51699 1 834 . 1 . 1 107 107 VAL HG21 H 1 0.880 0.010 . 2 . . . . . 856 VAL HG21 . 51699 1 835 . 1 . 1 107 107 VAL HG22 H 1 0.880 0.010 . 2 . . . . . 856 VAL HG22 . 51699 1 836 . 1 . 1 107 107 VAL HG23 H 1 0.880 0.010 . 2 . . . . . 856 VAL HG23 . 51699 1 837 . 1 . 1 107 107 VAL C C 13 174.518 0.000 . 1 . . . . . 856 VAL C . 51699 1 838 . 1 . 1 107 107 VAL CA C 13 62.061 0.024 . 1 . . . . . 856 VAL CA . 51699 1 839 . 1 . 1 107 107 VAL CB C 13 31.780 0.036 . 1 . . . . . 856 VAL CB . 51699 1 840 . 1 . 1 107 107 VAL CG2 C 13 20.556 0.000 . 1 . . . . . 856 VAL CG2 . 51699 1 841 . 1 . 1 107 107 VAL N N 15 126.276 0.139 . 1 . . . . . 856 VAL N . 51699 1 842 . 1 . 1 108 108 CYS H H 1 9.181 0.004 . 1 . . . . . 857 CYS H . 51699 1 843 . 1 . 1 108 108 CYS HA H 1 5.143 0.001 . 1 . . . . . 857 CYS HA . 51699 1 844 . 1 . 1 108 108 CYS HB2 H 1 2.711 0.006 . 2 . . . . . 857 CYS HB2 . 51699 1 845 . 1 . 1 108 108 CYS HB3 H 1 3.082 0.001 . 2 . . . . . 857 CYS HB3 . 51699 1 846 . 1 . 1 108 108 CYS C C 13 170.155 0.000 . 1 . . . . . 857 CYS C . 51699 1 847 . 1 . 1 108 108 CYS CA C 13 52.139 0.001 . 1 . . . . . 857 CYS CA . 51699 1 848 . 1 . 1 108 108 CYS CB C 13 36.191 0.001 . 1 . . . . . 857 CYS CB . 51699 1 849 . 1 . 1 108 108 CYS N N 15 127.997 0.157 . 1 . . . . . 857 CYS N . 51699 1 850 . 1 . 1 109 109 PRO HA H 1 4.793 0.000 . 1 . . . . . 858 PRO HA . 51699 1 851 . 1 . 1 109 109 PRO HB2 H 1 2.181 0.000 . 2 . . . . . 858 PRO HB2 . 51699 1 852 . 1 . 1 109 109 PRO HB3 H 1 2.498 0.000 . 2 . . . . . 858 PRO HB3 . 51699 1 853 . 1 . 1 109 109 PRO C C 13 172.506 0.000 . 1 . . . . . 858 PRO C . 51699 1 854 . 1 . 1 109 109 PRO CA C 13 62.306 0.056 . 1 . . . . . 858 PRO CA . 51699 1 855 . 1 . 1 109 109 PRO CB C 13 32.578 0.066 . 1 . . . . . 858 PRO CB . 51699 1 856 . 1 . 1 110 110 THR H H 1 8.188 0.004 . 1 . . . . . 859 THR H . 51699 1 857 . 1 . 1 110 110 THR HA H 1 4.002 0.009 . 1 . . . . . 859 THR HA . 51699 1 858 . 1 . 1 110 110 THR HB H 1 4.028 0.004 . 1 . . . . . 859 THR HB . 51699 1 859 . 1 . 1 110 110 THR HG21 H 1 1.287 0.005 . 1 . . . . . 859 THR HG21 . 51699 1 860 . 1 . 1 110 110 THR HG22 H 1 1.287 0.005 . 1 . . . . . 859 THR HG22 . 51699 1 861 . 1 . 1 110 110 THR HG23 H 1 1.287 0.005 . 1 . . . . . 859 THR HG23 . 51699 1 862 . 1 . 1 110 110 THR C C 13 172.294 0.021 . 1 . . . . . 859 THR C . 51699 1 863 . 1 . 1 110 110 THR CA C 13 64.582 0.033 . 1 . . . . . 859 THR CA . 51699 1 864 . 1 . 1 110 110 THR CB C 13 69.620 0.023 . 1 . . . . . 859 THR CB . 51699 1 865 . 1 . 1 110 110 THR CG2 C 13 21.838 0.016 . 1 . . . . . 859 THR CG2 . 51699 1 866 . 1 . 1 110 110 THR N N 15 113.338 0.126 . 1 . . . . . 859 THR N . 51699 1 867 . 1 . 1 111 111 GLY H H 1 8.449 0.004 . 1 . . . . . 860 GLY H . 51699 1 868 . 1 . 1 111 111 GLY C C 13 170.429 0.000 . 1 . . . . . 860 GLY C . 51699 1 869 . 1 . 1 111 111 GLY CA C 13 44.706 0.064 . 1 . . . . . 860 GLY CA . 51699 1 870 . 1 . 1 111 111 GLY N N 15 111.362 0.148 . 1 . . . . . 860 GLY N . 51699 1 871 . 1 . 1 112 112 TRP H H 1 7.666 0.006 . 1 . . . . . 861 TRP H . 51699 1 872 . 1 . 1 112 112 TRP HA H 1 5.298 0.015 . 1 . . . . . 861 TRP HA . 51699 1 873 . 1 . 1 112 112 TRP HB2 H 1 2.687 0.005 . 2 . . . . . 861 TRP HB2 . 51699 1 874 . 1 . 1 112 112 TRP HB3 H 1 3.194 0.009 . 2 . . . . . 861 TRP HB3 . 51699 1 875 . 1 . 1 112 112 TRP HE1 H 1 9.955 0.000 . 1 . . . . . 861 TRP HE1 . 51699 1 876 . 1 . 1 112 112 TRP C C 13 171.397 0.010 . 1 . . . . . 861 TRP C . 51699 1 877 . 1 . 1 112 112 TRP CA C 13 55.517 0.042 . 1 . . . . . 861 TRP CA . 51699 1 878 . 1 . 1 112 112 TRP CB C 13 34.517 0.096 . 1 . . . . . 861 TRP CB . 51699 1 879 . 1 . 1 112 112 TRP N N 15 119.048 0.083 . 1 . . . . . 861 TRP N . 51699 1 880 . 1 . 1 112 112 TRP NE1 N 15 127.422 0.000 . 1 . . . . . 861 TRP NE1 . 51699 1 881 . 1 . 1 113 113 GLN H H 1 9.719 0.006 . 1 . . . . . 862 GLN H . 51699 1 882 . 1 . 1 113 113 GLN HA H 1 5.004 0.000 . 1 . . . . . 862 GLN HA . 51699 1 883 . 1 . 1 113 113 GLN HB2 H 1 2.164 0.000 . 2 . . . . . 862 GLN HB2 . 51699 1 884 . 1 . 1 113 113 GLN HB3 H 1 1.896 0.000 . 2 . . . . . 862 GLN HB3 . 51699 1 885 . 1 . 1 113 113 GLN C C 13 171.642 0.024 . 1 . . . . . 862 GLN C . 51699 1 886 . 1 . 1 113 113 GLN CA C 13 53.936 0.045 . 1 . . . . . 862 GLN CA . 51699 1 887 . 1 . 1 113 113 GLN CB C 13 30.539 0.000 . 1 . . . . . 862 GLN CB . 51699 1 888 . 1 . 1 113 113 GLN CG C 13 32.102 0.000 . 1 . . . . . 862 GLN CG . 51699 1 889 . 1 . 1 113 113 GLN N N 15 118.747 0.131 . 1 . . . . . 862 GLN N . 51699 1 890 . 1 . 1 114 114 GLY H H 1 8.182 0.009 . 1 . . . . . 863 GLY H . 51699 1 891 . 1 . 1 114 114 GLY CA C 13 43.815 0.000 . 1 . . . . . 863 GLY CA . 51699 1 892 . 1 . 1 114 114 GLY N N 15 106.531 0.178 . 1 . . . . . 863 GLY N . 51699 1 893 . 1 . 1 115 115 GLN HA H 1 4.047 0.004 . 1 . . . . . 864 GLN HA . 51699 1 894 . 1 . 1 115 115 GLN HB2 H 1 2.197 0.001 . 2 . . . . . 864 GLN HB2 . 51699 1 895 . 1 . 1 115 115 GLN HB3 H 1 2.116 0.003 . 2 . . . . . 864 GLN HB3 . 51699 1 896 . 1 . 1 115 115 GLN HG2 H 1 2.391 0.015 . 2 . . . . . 864 GLN HG2 . 51699 1 897 . 1 . 1 115 115 GLN HG3 H 1 2.459 0.011 . 2 . . . . . 864 GLN HG3 . 51699 1 898 . 1 . 1 115 115 GLN C C 13 174.465 0.000 . 1 . . . . . 864 GLN C . 51699 1 899 . 1 . 1 115 115 GLN CA C 13 59.270 0.004 . 1 . . . . . 864 GLN CA . 51699 1 900 . 1 . 1 115 115 GLN CB C 13 29.270 0.009 . 1 . . . . . 864 GLN CB . 51699 1 901 . 1 . 1 115 115 GLN CG C 13 33.910 0.001 . 1 . . . . . 864 GLN CG . 51699 1 902 . 1 . 1 116 116 THR H H 1 8.398 0.015 . 1 . . . . . 865 THR H . 51699 1 903 . 1 . 1 116 116 THR HA H 1 5.019 0.000 . 1 . . . . . 865 THR HA . 51699 1 904 . 1 . 1 116 116 THR HB H 1 4.941 0.000 . 1 . . . . . 865 THR HB . 51699 1 905 . 1 . 1 116 116 THR HG21 H 1 1.106 0.001 . 1 . . . . . 865 THR HG21 . 51699 1 906 . 1 . 1 116 116 THR HG22 H 1 1.106 0.001 . 1 . . . . . 865 THR HG22 . 51699 1 907 . 1 . 1 116 116 THR HG23 H 1 1.106 0.001 . 1 . . . . . 865 THR HG23 . 51699 1 908 . 1 . 1 116 116 THR CA C 13 59.978 0.002 . 1 . . . . . 865 THR CA . 51699 1 909 . 1 . 1 116 116 THR CB C 13 68.458 0.000 . 1 . . . . . 865 THR CB . 51699 1 910 . 1 . 1 116 116 THR CG2 C 13 22.686 0.000 . 1 . . . . . 865 THR CG2 . 51699 1 911 . 1 . 1 116 116 THR N N 15 103.454 0.148 . 1 . . . . . 865 THR N . 51699 1 912 . 1 . 1 117 117 CYS C C 13 171.020 0.000 . 1 . . . . . 866 CYS C . 51699 1 913 . 1 . 1 117 117 CYS CA C 13 54.699 0.000 . 1 . . . . . 866 CYS CA . 51699 1 914 . 1 . 1 118 118 GLU H H 1 9.070 0.006 . 1 . . . . . 867 GLU H . 51699 1 915 . 1 . 1 118 118 GLU HA H 1 4.007 0.007 . 1 . . . . . 867 GLU HA . 51699 1 916 . 1 . 1 118 118 GLU HB2 H 1 1.849 0.002 . 2 . . . . . 867 GLU HB2 . 51699 1 917 . 1 . 1 118 118 GLU HB3 H 1 2.102 0.005 . 2 . . . . . 867 GLU HB3 . 51699 1 918 . 1 . 1 118 118 GLU HG2 H 1 2.168 0.000 . 1 . . . . . 867 GLU HG2 . 51699 1 919 . 1 . 1 118 118 GLU HG3 H 1 2.168 0.000 . 1 . . . . . 867 GLU HG3 . 51699 1 920 . 1 . 1 118 118 GLU C C 13 173.533 0.009 . 1 . . . . . 867 GLU C . 51699 1 921 . 1 . 1 118 118 GLU CA C 13 56.565 0.069 . 1 . . . . . 867 GLU CA . 51699 1 922 . 1 . 1 118 118 GLU CB C 13 31.099 0.041 . 1 . . . . . 867 GLU CB . 51699 1 923 . 1 . 1 118 118 GLU N N 15 115.901 0.000 . 1 . . . . . 867 GLU N . 51699 1 924 . 1 . 1 119 119 VAL H H 1 8.670 0.005 . 1 . . . . . 868 VAL H . 51699 1 925 . 1 . 1 119 119 VAL HA H 1 4.323 0.004 . 1 . . . . . 868 VAL HA . 51699 1 926 . 1 . 1 119 119 VAL HB H 1 1.750 0.005 . 1 . . . . . 868 VAL HB . 51699 1 927 . 1 . 1 119 119 VAL C C 13 172.273 0.004 . 1 . . . . . 868 VAL C . 51699 1 928 . 1 . 1 119 119 VAL CA C 13 61.918 0.037 . 1 . . . . . 868 VAL CA . 51699 1 929 . 1 . 1 119 119 VAL CB C 13 32.771 0.001 . 1 . . . . . 868 VAL CB . 51699 1 930 . 1 . 1 119 119 VAL N N 15 123.764 0.171 . 1 . . . . . 868 VAL N . 51699 1 931 . 1 . 1 120 120 ASP H H 1 8.887 0.004 . 1 . . . . . 869 ASP H . 51699 1 932 . 1 . 1 120 120 ASP C C 13 173.645 0.005 . 1 . . . . . 869 ASP C . 51699 1 933 . 1 . 1 120 120 ASP CA C 13 55.198 0.003 . 1 . . . . . 869 ASP CA . 51699 1 934 . 1 . 1 120 120 ASP CB C 13 42.774 0.000 . 1 . . . . . 869 ASP CB . 51699 1 935 . 1 . 1 120 120 ASP N N 15 128.471 0.144 . 1 . . . . . 869 ASP N . 51699 1 936 . 1 . 1 121 121 ILE H H 1 7.226 0.004 . 1 . . . . . 870 ILE H . 51699 1 937 . 1 . 1 121 121 ILE HA H 1 4.176 0.001 . 1 . . . . . 870 ILE HA . 51699 1 938 . 1 . 1 121 121 ILE HB H 1 1.827 0.001 . 1 . . . . . 870 ILE HB . 51699 1 939 . 1 . 1 121 121 ILE HG12 H 1 1.098 0.015 . 2 . . . . . 870 ILE HG12 . 51699 1 940 . 1 . 1 121 121 ILE HG13 H 1 1.408 0.008 . 2 . . . . . 870 ILE HG13 . 51699 1 941 . 1 . 1 121 121 ILE HG21 H 1 0.879 0.007 . 1 . . . . . 870 ILE HG21 . 51699 1 942 . 1 . 1 121 121 ILE HG22 H 1 0.879 0.007 . 1 . . . . . 870 ILE HG22 . 51699 1 943 . 1 . 1 121 121 ILE HG23 H 1 0.879 0.007 . 1 . . . . . 870 ILE HG23 . 51699 1 944 . 1 . 1 121 121 ILE HD11 H 1 0.809 0.000 . 1 . . . . . 870 ILE HD11 . 51699 1 945 . 1 . 1 121 121 ILE HD12 H 1 0.809 0.000 . 1 . . . . . 870 ILE HD12 . 51699 1 946 . 1 . 1 121 121 ILE HD13 H 1 0.809 0.000 . 1 . . . . . 870 ILE HD13 . 51699 1 947 . 1 . 1 121 121 ILE C C 13 171.247 0.000 . 1 . . . . . 870 ILE C . 51699 1 948 . 1 . 1 121 121 ILE CA C 13 61.223 0.036 . 1 . . . . . 870 ILE CA . 51699 1 949 . 1 . 1 121 121 ILE CB C 13 39.569 0.065 . 1 . . . . . 870 ILE CB . 51699 1 950 . 1 . 1 121 121 ILE CG1 C 13 26.996 0.058 . 1 . . . . . 870 ILE CG1 . 51699 1 951 . 1 . 1 121 121 ILE CG2 C 13 17.592 0.010 . 1 . . . . . 870 ILE CG2 . 51699 1 952 . 1 . 1 121 121 ILE CD1 C 13 12.899 0.001 . 1 . . . . . 870 ILE CD1 . 51699 1 953 . 1 . 1 121 121 ILE N N 15 126.362 0.126 . 1 . . . . . 870 ILE N . 51699 1 954 . 1 . 1 122 122 ASN H H 1 8.024 0.058 . 1 . . . . . 871 ASN H . 51699 1 955 . 1 . 1 122 122 ASN HB2 H 1 3.017 0.000 . 2 . . . . . 871 ASN HB2 . 51699 1 956 . 1 . 1 122 122 ASN HB3 H 1 2.546 0.000 . 2 . . . . . 871 ASN HB3 . 51699 1 957 . 1 . 1 122 122 ASN C C 13 173.274 0.000 . 1 . . . . . 871 ASN C . 51699 1 958 . 1 . 1 122 122 ASN CA C 13 50.351 0.033 . 1 . . . . . 871 ASN CA . 51699 1 959 . 1 . 1 122 122 ASN CB C 13 36.473 0.098 . 1 . . . . . 871 ASN CB . 51699 1 960 . 1 . 1 122 122 ASN N N 15 127.962 0.311 . 1 . . . . . 871 ASN N . 51699 1 961 . 1 . 1 123 123 GLU H H 1 9.657 0.005 . 1 . . . . . 872 GLU H . 51699 1 962 . 1 . 1 123 123 GLU HA H 1 3.486 0.000 . 1 . . . . . 872 GLU HA . 51699 1 963 . 1 . 1 123 123 GLU C C 13 174.991 0.003 . 1 . . . . . 872 GLU C . 51699 1 964 . 1 . 1 123 123 GLU CA C 13 60.988 0.066 . 1 . . . . . 872 GLU CA . 51699 1 965 . 1 . 1 123 123 GLU CB C 13 28.312 0.074 . 1 . . . . . 872 GLU CB . 51699 1 966 . 1 . 1 123 123 GLU N N 15 126.648 0.134 . 1 . . . . . 872 GLU N . 51699 1 967 . 1 . 1 124 124 CYS H H 1 7.850 0.005 . 1 . . . . . 873 CYS H . 51699 1 968 . 1 . 1 124 124 CYS HA H 1 4.223 0.012 . 1 . . . . . 873 CYS HA . 51699 1 969 . 1 . 1 124 124 CYS HB2 H 1 3.183 0.003 . 2 . . . . . 873 CYS HB2 . 51699 1 970 . 1 . 1 124 124 CYS HB3 H 1 3.080 0.003 . 2 . . . . . 873 CYS HB3 . 51699 1 971 . 1 . 1 124 124 CYS C C 13 174.833 0.008 . 1 . . . . . 873 CYS C . 51699 1 972 . 1 . 1 124 124 CYS CA C 13 54.009 0.037 . 1 . . . . . 873 CYS CA . 51699 1 973 . 1 . 1 124 124 CYS CB C 13 35.641 0.001 . 1 . . . . . 873 CYS CB . 51699 1 974 . 1 . 1 124 124 CYS N N 15 111.231 0.129 . 1 . . . . . 873 CYS N . 51699 1 975 . 1 . 1 125 125 VAL H H 1 7.024 0.005 . 1 . . . . . 874 VAL H . 51699 1 976 . 1 . 1 125 125 VAL HA H 1 3.774 0.012 . 1 . . . . . 874 VAL HA . 51699 1 977 . 1 . 1 125 125 VAL HB H 1 2.008 0.007 . 1 . . . . . 874 VAL HB . 51699 1 978 . 1 . 1 125 125 VAL HG11 H 1 0.874 0.001 . 1 . . . . . 874 VAL HG11 . 51699 1 979 . 1 . 1 125 125 VAL HG12 H 1 0.874 0.001 . 1 . . . . . 874 VAL HG12 . 51699 1 980 . 1 . 1 125 125 VAL HG13 H 1 0.874 0.001 . 1 . . . . . 874 VAL HG13 . 51699 1 981 . 1 . 1 125 125 VAL C C 13 173.748 0.015 . 1 . . . . . 874 VAL C . 51699 1 982 . 1 . 1 125 125 VAL CA C 13 65.333 0.052 . 1 . . . . . 874 VAL CA . 51699 1 983 . 1 . 1 125 125 VAL CB C 13 31.360 0.071 . 1 . . . . . 874 VAL CB . 51699 1 984 . 1 . 1 125 125 VAL CG1 C 13 21.010 0.000 . 1 . . . . . 874 VAL CG1 . 51699 1 985 . 1 . 1 125 125 VAL N N 15 119.988 0.134 . 1 . . . . . 874 VAL N . 51699 1 986 . 1 . 1 126 126 LEU H H 1 7.100 0.005 . 1 . . . . . 875 LEU H . 51699 1 987 . 1 . 1 126 126 LEU HA H 1 4.390 0.006 . 1 . . . . . 875 LEU HA . 51699 1 988 . 1 . 1 126 126 LEU HB2 H 1 1.439 0.009 . 2 . . . . . 875 LEU HB2 . 51699 1 989 . 1 . 1 126 126 LEU HB3 H 1 1.497 0.000 . 2 . . . . . 875 LEU HB3 . 51699 1 990 . 1 . 1 126 126 LEU HG H 1 1.370 0.001 . 1 . . . . . 875 LEU HG . 51699 1 991 . 1 . 1 126 126 LEU HD11 H 1 0.725 0.001 . 2 . . . . . 875 LEU HD11 . 51699 1 992 . 1 . 1 126 126 LEU HD12 H 1 0.725 0.001 . 2 . . . . . 875 LEU HD12 . 51699 1 993 . 1 . 1 126 126 LEU HD13 H 1 0.725 0.001 . 2 . . . . . 875 LEU HD13 . 51699 1 994 . 1 . 1 126 126 LEU HD21 H 1 0.767 0.001 . 2 . . . . . 875 LEU HD21 . 51699 1 995 . 1 . 1 126 126 LEU HD22 H 1 0.767 0.001 . 2 . . . . . 875 LEU HD22 . 51699 1 996 . 1 . 1 126 126 LEU HD23 H 1 0.767 0.001 . 2 . . . . . 875 LEU HD23 . 51699 1 997 . 1 . 1 126 126 LEU C C 13 173.057 0.003 . 1 . . . . . 875 LEU C . 51699 1 998 . 1 . 1 126 126 LEU CA C 13 53.617 0.042 . 1 . . . . . 875 LEU CA . 51699 1 999 . 1 . 1 126 126 LEU CB C 13 40.730 0.013 . 1 . . . . . 875 LEU CB . 51699 1 1000 . 1 . 1 126 126 LEU CG C 13 26.839 0.001 . 1 . . . . . 875 LEU CG . 51699 1 1001 . 1 . 1 126 126 LEU CD2 C 13 24.879 0.001 . 1 . . . . . 875 LEU CD2 . 51699 1 1002 . 1 . 1 126 126 LEU N N 15 120.527 0.137 . 1 . . . . . 875 LEU N . 51699 1 1003 . 1 . 1 127 127 SER H H 1 7.456 0.005 . 1 . . . . . 876 SER H . 51699 1 1004 . 1 . 1 127 127 SER HA H 1 4.260 0.000 . 1 . . . . . 876 SER HA . 51699 1 1005 . 1 . 1 127 127 SER HB2 H 1 3.845 0.000 . 2 . . . . . 876 SER HB2 . 51699 1 1006 . 1 . 1 127 127 SER HB3 H 1 3.814 0.002 . 2 . . . . . 876 SER HB3 . 51699 1 1007 . 1 . 1 127 127 SER C C 13 170.643 0.000 . 1 . . . . . 876 SER C . 51699 1 1008 . 1 . 1 127 127 SER CA C 13 57.381 0.001 . 1 . . . . . 876 SER CA . 51699 1 1009 . 1 . 1 127 127 SER CB C 13 63.114 0.000 . 1 . . . . . 876 SER CB . 51699 1 1010 . 1 . 1 127 127 SER N N 15 111.903 0.133 . 1 . . . . . 876 SER N . 51699 1 1011 . 1 . 1 128 128 PRO HA H 1 4.352 0.000 . 1 . . . . . 877 PRO HA . 51699 1 1012 . 1 . 1 128 128 PRO C C 13 173.904 0.000 . 1 . . . . . 877 PRO C . 51699 1 1013 . 1 . 1 128 128 PRO CA C 13 63.257 0.018 . 1 . . . . . 877 PRO CA . 51699 1 1014 . 1 . 1 128 128 PRO CB C 13 31.990 0.000 . 1 . . . . . 877 PRO CB . 51699 1 1015 . 1 . 1 129 129 CYS H H 1 7.708 0.003 . 1 . . . . . 878 CYS H . 51699 1 1016 . 1 . 1 129 129 CYS HA H 1 4.466 0.012 . 1 . . . . . 878 CYS HA . 51699 1 1017 . 1 . 1 129 129 CYS HB2 H 1 2.804 0.002 . 2 . . . . . 878 CYS HB2 . 51699 1 1018 . 1 . 1 129 129 CYS HB3 H 1 2.525 0.000 . 2 . . . . . 878 CYS HB3 . 51699 1 1019 . 1 . 1 129 129 CYS C C 13 172.277 0.000 . 1 . . . . . 878 CYS C . 51699 1 1020 . 1 . 1 129 129 CYS CA C 13 53.298 0.002 . 1 . . . . . 878 CYS CA . 51699 1 1021 . 1 . 1 129 129 CYS CB C 13 37.921 0.001 . 1 . . . . . 878 CYS CB . 51699 1 1022 . 1 . 1 129 129 CYS N N 15 117.367 0.169 . 1 . . . . . 878 CYS N . 51699 1 1023 . 1 . 1 131 131 HIS HA H 1 4.006 0.002 . 1 . . . . . 880 HIS HA . 51699 1 1024 . 1 . 1 131 131 HIS HB2 H 1 3.248 0.001 . 2 . . . . . 880 HIS HB2 . 51699 1 1025 . 1 . 1 131 131 HIS HB3 H 1 3.432 0.000 . 2 . . . . . 880 HIS HB3 . 51699 1 1026 . 1 . 1 131 131 HIS CA C 13 57.811 0.000 . 1 . . . . . 880 HIS CA . 51699 1 1027 . 1 . 1 131 131 HIS CB C 13 29.337 0.068 . 1 . . . . . 880 HIS CB . 51699 1 1028 . 1 . 1 132 132 GLY C C 13 171.522 0.000 . 1 . . . . . 881 GLY C . 51699 1 1029 . 1 . 1 132 132 GLY CA C 13 45.637 0.000 . 1 . . . . . 881 GLY CA . 51699 1 1030 . 1 . 1 133 133 ALA H H 1 7.085 0.001 . 1 . . . . . 882 ALA H . 51699 1 1031 . 1 . 1 133 133 ALA HA H 1 4.343 0.016 . 1 . . . . . 882 ALA HA . 51699 1 1032 . 1 . 1 133 133 ALA HB1 H 1 1.375 0.024 . 1 . . . . . 882 ALA HB1 . 51699 1 1033 . 1 . 1 133 133 ALA HB2 H 1 1.375 0.024 . 1 . . . . . 882 ALA HB2 . 51699 1 1034 . 1 . 1 133 133 ALA HB3 H 1 1.375 0.024 . 1 . . . . . 882 ALA HB3 . 51699 1 1035 . 1 . 1 133 133 ALA C C 13 174.035 0.023 . 1 . . . . . 882 ALA C . 51699 1 1036 . 1 . 1 133 133 ALA CA C 13 51.971 0.039 . 1 . . . . . 882 ALA CA . 51699 1 1037 . 1 . 1 133 133 ALA CB C 13 23.397 0.074 . 1 . . . . . 882 ALA CB . 51699 1 1038 . 1 . 1 133 133 ALA N N 15 122.171 0.084 . 1 . . . . . 882 ALA N . 51699 1 1039 . 1 . 1 134 134 SER H H 1 8.012 0.006 . 1 . . . . . 883 SER H . 51699 1 1040 . 1 . 1 134 134 SER HA H 1 4.532 0.010 . 1 . . . . . 883 SER HA . 51699 1 1041 . 1 . 1 134 134 SER HB2 H 1 3.877 0.002 . 1 . . . . . 883 SER HB2 . 51699 1 1042 . 1 . 1 134 134 SER HB3 H 1 3.877 0.002 . 1 . . . . . 883 SER HB3 . 51699 1 1043 . 1 . 1 134 134 SER C C 13 174.012 0.000 . 1 . . . . . 883 SER C . 51699 1 1044 . 1 . 1 134 134 SER CA C 13 57.474 0.047 . 1 . . . . . 883 SER CA . 51699 1 1045 . 1 . 1 134 134 SER CB C 13 64.459 0.001 . 1 . . . . . 883 SER CB . 51699 1 1046 . 1 . 1 134 134 SER N N 15 115.020 0.117 . 1 . . . . . 883 SER N . 51699 1 1047 . 1 . 1 136 136 GLN HA H 1 3.805 0.000 . 1 . . . . . 885 GLN HA . 51699 1 1048 . 1 . 1 136 136 GLN HB2 H 1 2.137 0.001 . 2 . . . . . 885 GLN HB2 . 51699 1 1049 . 1 . 1 136 136 GLN HB3 H 1 2.068 0.001 . 2 . . . . . 885 GLN HB3 . 51699 1 1050 . 1 . 1 136 136 GLN HG2 H 1 2.587 0.002 . 1 . . . . . 885 GLN HG2 . 51699 1 1051 . 1 . 1 136 136 GLN HG3 H 1 2.587 0.002 . 1 . . . . . 885 GLN HG3 . 51699 1 1052 . 1 . 1 136 136 GLN CA C 13 56.750 0.030 . 1 . . . . . 885 GLN CA . 51699 1 1053 . 1 . 1 136 136 GLN CB C 13 32.470 0.000 . 1 . . . . . 885 GLN CB . 51699 1 1054 . 1 . 1 136 136 GLN CG C 13 31.760 0.000 . 1 . . . . . 885 GLN CG . 51699 1 1055 . 1 . 1 137 137 ASN C C 13 172.297 0.000 . 1 . . . . . 886 ASN C . 51699 1 1056 . 1 . 1 137 137 ASN CA C 13 54.373 0.055 . 1 . . . . . 886 ASN CA . 51699 1 1057 . 1 . 1 137 137 ASN CB C 13 39.150 0.000 . 1 . . . . . 886 ASN CB . 51699 1 1058 . 1 . 1 138 138 THR H H 1 7.943 0.003 . 1 . . . . . 887 THR H . 51699 1 1059 . 1 . 1 138 138 THR HA H 1 4.637 0.011 . 1 . . . . . 887 THR HA . 51699 1 1060 . 1 . 1 138 138 THR HB H 1 4.193 0.003 . 1 . . . . . 887 THR HB . 51699 1 1061 . 1 . 1 138 138 THR HG21 H 1 0.868 0.002 . 1 . . . . . 887 THR HG21 . 51699 1 1062 . 1 . 1 138 138 THR HG22 H 1 0.868 0.002 . 1 . . . . . 887 THR HG22 . 51699 1 1063 . 1 . 1 138 138 THR HG23 H 1 0.868 0.002 . 1 . . . . . 887 THR HG23 . 51699 1 1064 . 1 . 1 138 138 THR C C 13 171.361 0.000 . 1 . . . . . 887 THR C . 51699 1 1065 . 1 . 1 138 138 THR CA C 13 59.596 0.040 . 1 . . . . . 887 THR CA . 51699 1 1066 . 1 . 1 138 138 THR CB C 13 70.490 0.000 . 1 . . . . . 887 THR CB . 51699 1 1067 . 1 . 1 138 138 THR CG2 C 13 21.275 0.000 . 1 . . . . . 887 THR CG2 . 51699 1 1068 . 1 . 1 138 138 THR N N 15 117.659 0.138 . 1 . . . . . 887 THR N . 51699 1 1069 . 1 . 1 139 139 HIS HA H 1 4.116 0.003 . 1 . . . . . 888 HIS HA . 51699 1 1070 . 1 . 1 139 139 HIS HB2 H 1 3.062 0.002 . 2 . . . . . 888 HIS HB2 . 51699 1 1071 . 1 . 1 139 139 HIS HB3 H 1 3.245 0.000 . 2 . . . . . 888 HIS HB3 . 51699 1 1072 . 1 . 1 139 139 HIS C C 13 172.175 0.000 . 1 . . . . . 888 HIS C . 51699 1 1073 . 1 . 1 139 139 HIS CA C 13 57.250 0.027 . 1 . . . . . 888 HIS CA . 51699 1 1074 . 1 . 1 139 139 HIS CB C 13 29.231 0.017 . 1 . . . . . 888 HIS CB . 51699 1 1075 . 1 . 1 140 140 GLY H H 1 8.708 0.001 . 1 . . . . . 889 GLY H . 51699 1 1076 . 1 . 1 140 140 GLY HA2 H 1 3.958 0.010 . 2 . . . . . 889 GLY HA2 . 51699 1 1077 . 1 . 1 140 140 GLY HA3 H 1 2.126 0.003 . 2 . . . . . 889 GLY HA3 . 51699 1 1078 . 1 . 1 140 140 GLY C C 13 171.362 0.000 . 1 . . . . . 889 GLY C . 51699 1 1079 . 1 . 1 140 140 GLY CA C 13 45.885 0.055 . 1 . . . . . 889 GLY CA . 51699 1 1080 . 1 . 1 140 140 GLY N N 15 120.692 0.053 . 1 . . . . . 889 GLY N . 51699 1 1081 . 1 . 1 141 141 GLY H H 1 6.561 0.006 . 1 . . . . . 890 GLY H . 51699 1 1082 . 1 . 1 141 141 GLY C C 13 169.459 0.025 . 1 . . . . . 890 GLY C . 51699 1 1083 . 1 . 1 141 141 GLY CA C 13 45.841 0.027 . 1 . . . . . 890 GLY CA . 51699 1 1084 . 1 . 1 141 141 GLY N N 15 108.514 0.160 . 1 . . . . . 890 GLY N . 51699 1 1085 . 1 . 1 142 142 TYR H H 1 7.637 0.003 . 1 . . . . . 891 TYR H . 51699 1 1086 . 1 . 1 142 142 TYR C C 13 169.875 0.000 . 1 . . . . . 891 TYR C . 51699 1 1087 . 1 . 1 142 142 TYR CA C 13 57.474 0.010 . 1 . . . . . 891 TYR CA . 51699 1 1088 . 1 . 1 142 142 TYR CB C 13 38.645 0.000 . 1 . . . . . 891 TYR CB . 51699 1 1089 . 1 . 1 142 142 TYR N N 15 117.940 0.106 . 1 . . . . . 891 TYR N . 51699 1 1090 . 1 . 1 143 143 ARG H H 1 9.478 0.004 . 1 . . . . . 892 ARG H . 51699 1 1091 . 1 . 1 143 143 ARG HA H 1 4.463 0.002 . 1 . . . . . 892 ARG HA . 51699 1 1092 . 1 . 1 143 143 ARG HB2 H 1 1.516 0.013 . 2 . . . . . 892 ARG HB2 . 51699 1 1093 . 1 . 1 143 143 ARG HB3 H 1 1.548 0.007 . 2 . . . . . 892 ARG HB3 . 51699 1 1094 . 1 . 1 143 143 ARG HG2 H 1 1.255 0.007 . 2 . . . . . 892 ARG HG2 . 51699 1 1095 . 1 . 1 143 143 ARG HG3 H 1 1.259 0.005 . 2 . . . . . 892 ARG HG3 . 51699 1 1096 . 1 . 1 143 143 ARG HD2 H 1 3.007 0.002 . 2 . . . . . 892 ARG HD2 . 51699 1 1097 . 1 . 1 143 143 ARG HD3 H 1 3.008 0.002 . 2 . . . . . 892 ARG HD3 . 51699 1 1098 . 1 . 1 143 143 ARG C C 13 171.760 0.002 . 1 . . . . . 892 ARG C . 51699 1 1099 . 1 . 1 143 143 ARG CA C 13 54.627 0.054 . 1 . . . . . 892 ARG CA . 51699 1 1100 . 1 . 1 143 143 ARG CB C 13 34.242 0.016 . 1 . . . . . 892 ARG CB . 51699 1 1101 . 1 . 1 143 143 ARG CG C 13 26.929 0.001 . 1 . . . . . 892 ARG CG . 51699 1 1102 . 1 . 1 143 143 ARG CD C 13 43.352 0.002 . 1 . . . . . 892 ARG CD . 51699 1 1103 . 1 . 1 143 143 ARG N N 15 119.818 0.109 . 1 . . . . . 892 ARG N . 51699 1 1104 . 1 . 1 144 144 CYS H H 1 8.836 0.004 . 1 . . . . . 893 CYS H . 51699 1 1105 . 1 . 1 144 144 CYS HA H 1 5.474 0.007 . 1 . . . . . 893 CYS HA . 51699 1 1106 . 1 . 1 144 144 CYS HB2 H 1 2.641 0.004 . 2 . . . . . 893 CYS HB2 . 51699 1 1107 . 1 . 1 144 144 CYS HB3 H 1 2.960 0.002 . 2 . . . . . 893 CYS HB3 . 51699 1 1108 . 1 . 1 144 144 CYS C C 13 171.468 0.012 . 1 . . . . . 893 CYS C . 51699 1 1109 . 1 . 1 144 144 CYS CA C 13 52.782 0.040 . 1 . . . . . 893 CYS CA . 51699 1 1110 . 1 . 1 144 144 CYS CB C 13 41.148 0.103 . 1 . . . . . 893 CYS CB . 51699 1 1111 . 1 . 1 144 144 CYS N N 15 120.714 0.142 . 1 . . . . . 893 CYS N . 51699 1 1112 . 1 . 1 145 145 HIS H H 1 9.133 0.007 . 1 . . . . . 894 HIS H . 51699 1 1113 . 1 . 1 145 145 HIS C C 13 172.715 0.028 . 1 . . . . . 894 HIS C . 51699 1 1114 . 1 . 1 145 145 HIS CA C 13 55.146 0.005 . 1 . . . . . 894 HIS CA . 51699 1 1115 . 1 . 1 145 145 HIS CB C 13 30.265 0.000 . 1 . . . . . 894 HIS CB . 51699 1 1116 . 1 . 1 145 145 HIS N N 15 125.393 0.157 . 1 . . . . . 894 HIS N . 51699 1 1117 . 1 . 1 146 146 CYS H H 1 8.574 0.003 . 1 . . . . . 895 CYS H . 51699 1 1118 . 1 . 1 146 146 CYS HA H 1 4.622 0.001 . 1 . . . . . 895 CYS HA . 51699 1 1119 . 1 . 1 146 146 CYS HB2 H 1 2.716 0.000 . 1 . . . . . 895 CYS HB2 . 51699 1 1120 . 1 . 1 146 146 CYS HB3 H 1 2.716 0.000 . 1 . . . . . 895 CYS HB3 . 51699 1 1121 . 1 . 1 146 146 CYS C C 13 173.917 0.002 . 1 . . . . . 895 CYS C . 51699 1 1122 . 1 . 1 146 146 CYS CA C 13 54.329 0.008 . 1 . . . . . 895 CYS CA . 51699 1 1123 . 1 . 1 146 146 CYS CB C 13 36.650 0.044 . 1 . . . . . 895 CYS CB . 51699 1 1124 . 1 . 1 146 146 CYS N N 15 122.158 0.038 . 1 . . . . . 895 CYS N . 51699 1 1125 . 1 . 1 147 147 GLN H H 1 8.641 0.003 . 1 . . . . . 896 GLN H . 51699 1 1126 . 1 . 1 147 147 GLN HA H 1 4.117 0.000 . 1 . . . . . 896 GLN HA . 51699 1 1127 . 1 . 1 147 147 GLN C C 13 172.658 0.017 . 1 . . . . . 896 GLN C . 51699 1 1128 . 1 . 1 147 147 GLN CA C 13 55.444 0.030 . 1 . . . . . 896 GLN CA . 51699 1 1129 . 1 . 1 147 147 GLN CB C 13 29.714 0.087 . 1 . . . . . 896 GLN CB . 51699 1 1130 . 1 . 1 147 147 GLN CG C 13 33.868 0.000 . 1 . . . . . 896 GLN CG . 51699 1 1131 . 1 . 1 147 147 GLN N N 15 120.835 0.093 . 1 . . . . . 896 GLN N . 51699 1 1132 . 1 . 1 148 148 ALA H H 1 8.512 0.004 . 1 . . . . . 897 ALA H . 51699 1 1133 . 1 . 1 148 148 ALA HA H 1 4.067 0.009 . 1 . . . . . 897 ALA HA . 51699 1 1134 . 1 . 1 148 148 ALA HB1 H 1 1.366 0.008 . 1 . . . . . 897 ALA HB1 . 51699 1 1135 . 1 . 1 148 148 ALA HB2 H 1 1.366 0.008 . 1 . . . . . 897 ALA HB2 . 51699 1 1136 . 1 . 1 148 148 ALA HB3 H 1 1.366 0.008 . 1 . . . . . 897 ALA HB3 . 51699 1 1137 . 1 . 1 148 148 ALA C C 13 175.340 0.026 . 1 . . . . . 897 ALA C . 51699 1 1138 . 1 . 1 148 148 ALA CA C 13 53.990 0.062 . 1 . . . . . 897 ALA CA . 51699 1 1139 . 1 . 1 148 148 ALA CB C 13 18.153 0.095 . 1 . . . . . 897 ALA CB . 51699 1 1140 . 1 . 1 148 148 ALA N N 15 122.844 0.115 . 1 . . . . . 897 ALA N . 51699 1 1141 . 1 . 1 149 149 GLY H H 1 8.452 0.004 . 1 . . . . . 898 GLY H . 51699 1 1142 . 1 . 1 149 149 GLY HA2 H 1 3.908 0.001 . 2 . . . . . 898 GLY HA2 . 51699 1 1143 . 1 . 1 149 149 GLY HA3 H 1 3.424 0.007 . 2 . . . . . 898 GLY HA3 . 51699 1 1144 . 1 . 1 149 149 GLY C C 13 171.138 0.031 . 1 . . . . . 898 GLY C . 51699 1 1145 . 1 . 1 149 149 GLY CA C 13 44.739 0.024 . 1 . . . . . 898 GLY CA . 51699 1 1146 . 1 . 1 149 149 GLY N N 15 109.027 0.140 . 1 . . . . . 898 GLY N . 51699 1 1147 . 1 . 1 150 150 TYR H H 1 7.601 0.009 . 1 . . . . . 899 TYR H . 51699 1 1148 . 1 . 1 150 150 TYR HA H 1 5.011 0.007 . 1 . . . . . 899 TYR HA . 51699 1 1149 . 1 . 1 150 150 TYR HB2 H 1 2.750 0.001 . 2 . . . . . 899 TYR HB2 . 51699 1 1150 . 1 . 1 150 150 TYR HB3 H 1 3.048 0.001 . 2 . . . . . 899 TYR HB3 . 51699 1 1151 . 1 . 1 150 150 TYR C C 13 172.372 0.014 . 1 . . . . . 899 TYR C . 51699 1 1152 . 1 . 1 150 150 TYR CA C 13 57.861 0.027 . 1 . . . . . 899 TYR CA . 51699 1 1153 . 1 . 1 150 150 TYR CB C 13 40.520 0.017 . 1 . . . . . 899 TYR CB . 51699 1 1154 . 1 . 1 150 150 TYR N N 15 119.223 0.114 . 1 . . . . . 899 TYR N . 51699 1 1155 . 1 . 1 151 151 SER H H 1 9.410 0.012 . 1 . . . . . 900 SER H . 51699 1 1156 . 1 . 1 151 151 SER C C 13 170.646 0.027 . 1 . . . . . 900 SER C . 51699 1 1157 . 1 . 1 151 151 SER CA C 13 57.929 0.047 . 1 . . . . . 900 SER CA . 51699 1 1158 . 1 . 1 151 151 SER CB C 13 65.621 0.000 . 1 . . . . . 900 SER CB . 51699 1 1159 . 1 . 1 151 151 SER N N 15 116.293 0.000 . 1 . . . . . 900 SER N . 51699 1 1160 . 1 . 1 152 152 GLY H H 1 8.126 0.004 . 1 . . . . . 901 GLY H . 51699 1 1161 . 1 . 1 152 152 GLY CA C 13 43.933 0.000 . 1 . . . . . 901 GLY CA . 51699 1 1162 . 1 . 1 152 152 GLY N N 15 106.789 0.156 . 1 . . . . . 901 GLY N . 51699 1 1163 . 1 . 1 156 156 GLU HA H 1 4.166 0.000 . 1 . . . . . 905 GLU HA . 51699 1 1164 . 1 . 1 156 156 GLU C C 13 173.127 0.000 . 1 . . . . . 905 GLU C . 51699 1 1165 . 1 . 1 156 156 GLU CA C 13 58.033 0.067 . 1 . . . . . 905 GLU CA . 51699 1 1166 . 1 . 1 156 156 GLU CB C 13 30.206 0.000 . 1 . . . . . 905 GLU CB . 51699 1 1167 . 1 . 1 157 157 THR H H 1 8.649 0.006 . 1 . . . . . 906 THR H . 51699 1 1168 . 1 . 1 157 157 THR HA H 1 4.301 0.013 . 1 . . . . . 906 THR HA . 51699 1 1169 . 1 . 1 157 157 THR HB H 1 4.002 0.001 . 1 . . . . . 906 THR HB . 51699 1 1170 . 1 . 1 157 157 THR HG21 H 1 1.144 0.000 . 1 . . . . . 906 THR HG21 . 51699 1 1171 . 1 . 1 157 157 THR HG22 H 1 1.144 0.000 . 1 . . . . . 906 THR HG22 . 51699 1 1172 . 1 . 1 157 157 THR HG23 H 1 1.144 0.000 . 1 . . . . . 906 THR HG23 . 51699 1 1173 . 1 . 1 157 157 THR CA C 13 64.618 0.002 . 1 . . . . . 906 THR CA . 51699 1 1174 . 1 . 1 157 157 THR CB C 13 70.440 0.001 . 1 . . . . . 906 THR CB . 51699 1 1175 . 1 . 1 157 157 THR CG2 C 13 21.981 0.000 . 1 . . . . . 906 THR CG2 . 51699 1 1176 . 1 . 1 157 157 THR N N 15 124.648 0.147 . 1 . . . . . 906 THR N . 51699 1 stop_ save_