################################### # 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 50410 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name apoCTDH_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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50410 1 3 '2D 1H-13C HSQC' . . . 50410 1 6 '3D HNCA' . . . 50410 1 7 '3D HN(CO)CA' . . . 50410 1 8 '3D HNCO' . . . 50410 1 9 '3D HN(CA)CO' . . . 50410 1 10 '3D HNCACB' . . . 50410 1 11 '3D CBCA(CO)NH' . . . 50410 1 12 '3D HBHA(CO)NH' . . . 50410 1 14 '3D 1H-15N TOCSY' . . . 50410 1 15 '3D 1H-15N NOESY' . . . 50410 1 16 '3D 1H-15N NOESY' . . . 50410 1 17 '3D 1H-13C NOESY aliphatic' . . . 50410 1 19 '3D HCCH-TOCSY' . . . 50410 1 20 '3D HCCH-TOCSY' . . . 50410 1 21 '3D (H)CCH-TOCSY' . . . 50410 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 . . 50410 1 4 $software_4 . . 50410 1 5 $software_5 . . 50410 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 3 3 LYS HE2 H 1 2.948 0.001 . 1 . . . . . 3 K HE . 50410 1 2 . 1 . 1 3 3 LYS HE3 H 1 2.948 0.001 . 1 . . . . . 3 K HE . 50410 1 3 . 1 . 1 3 3 LYS CA C 13 56.088 0.000 . 1 . . . . . 3 K CA . 50410 1 4 . 1 . 1 3 3 LYS CB C 13 33.405 0.000 . 1 . . . . . 3 K CB . 50410 1 5 . 1 . 1 3 3 LYS CG C 13 24.625 0.004 . 1 . . . . . 3 K CG . 50410 1 6 . 1 . 1 3 3 LYS CD C 13 28.841 0.000 . 1 . . . . . 3 K CD . 50410 1 7 . 1 . 1 3 3 LYS CE C 13 41.814 0.117 . 1 . . . . . 3 K CE . 50410 1 8 . 1 . 1 4 4 ALA H H 1 8.425 0.000 . 1 . . . . . 4 A H . 50410 1 9 . 1 . 1 4 4 ALA HA H 1 4.249 0.010 . 1 . . . . . 4 A HA . 50410 1 10 . 1 . 1 4 4 ALA HB1 H 1 1.359 0.006 . 1 . . . . . 4 A MB . 50410 1 11 . 1 . 1 4 4 ALA HB2 H 1 1.359 0.006 . 1 . . . . . 4 A MB . 50410 1 12 . 1 . 1 4 4 ALA HB3 H 1 1.359 0.006 . 1 . . . . . 4 A MB . 50410 1 13 . 1 . 1 4 4 ALA C C 13 177.612 0.000 . 1 . . . . . 4 A C . 50410 1 14 . 1 . 1 4 4 ALA CA C 13 52.613 0.020 . 1 . . . . . 4 A CA . 50410 1 15 . 1 . 1 4 4 ALA CB C 13 19.080 0.035 . 1 . . . . . 4 A CB . 50410 1 16 . 1 . 1 4 4 ALA N N 15 125.882 0.000 . 1 . . . . . 4 A N . 50410 1 17 . 1 . 1 5 5 ALA H H 1 8.253 0.004 . 1 . . . . . 5 A H . 50410 1 18 . 1 . 1 5 5 ALA HA H 1 4.229 0.006 . 1 . . . . . 5 A HA . 50410 1 19 . 1 . 1 5 5 ALA HB1 H 1 1.358 0.008 . 1 . . . . . 5 A MB . 50410 1 20 . 1 . 1 5 5 ALA HB2 H 1 1.358 0.008 . 1 . . . . . 5 A MB . 50410 1 21 . 1 . 1 5 5 ALA HB3 H 1 1.358 0.008 . 1 . . . . . 5 A MB . 50410 1 22 . 1 . 1 5 5 ALA C C 13 177.742 0.029 . 1 . . . . . 5 A C . 50410 1 23 . 1 . 1 5 5 ALA CA C 13 52.609 0.068 . 1 . . . . . 5 A CA . 50410 1 24 . 1 . 1 5 5 ALA CB C 13 19.109 0.148 . 1 . . . . . 5 A CB . 50410 1 25 . 1 . 1 5 5 ALA N N 15 123.040 0.097 . 1 . . . . . 5 A N . 50410 1 26 . 1 . 1 6 6 GLU H H 1 8.255 0.003 . 1 . . . . . 6 E H . 50410 1 27 . 1 . 1 6 6 GLU HA H 1 4.236 0.010 . 1 . . . . . 6 E HA . 50410 1 28 . 1 . 1 6 6 GLU HB2 H 1 2.020 0.017 . 2 . . . . . 6 E HB2 . 50410 1 29 . 1 . 1 6 6 GLU HB3 H 1 1.904 0.008 . 2 . . . . . 6 E HB3 . 50410 1 30 . 1 . 1 6 6 GLU HG2 H 1 2.227 0.006 . 2 . . . . . 6 E HG2 . 50410 1 31 . 1 . 1 6 6 GLU HG3 H 1 2.227 0.006 . 2 . . . . . 6 E HG3 . 50410 1 32 . 1 . 1 6 6 GLU C C 13 176.364 0.007 . 1 . . . . . 6 E C . 50410 1 33 . 1 . 1 6 6 GLU CA C 13 56.603 0.100 . 1 . . . . . 6 E CA . 50410 1 34 . 1 . 1 6 6 GLU CB C 13 30.406 0.183 . 1 . . . . . 6 E CB . 50410 1 35 . 1 . 1 6 6 GLU CG C 13 36.306 0.056 . 1 . . . . . 6 E CG . 50410 1 36 . 1 . 1 6 6 GLU N N 15 119.440 0.112 . 1 . . . . . 6 E N . 50410 1 37 . 1 . 1 7 7 SER H H 1 8.144 0.006 . 1 . . . . . 7 S H . 50410 1 38 . 1 . 1 7 7 SER HA H 1 4.414 0.010 . 1 . . . . . 7 S HA . 50410 1 39 . 1 . 1 7 7 SER HB2 H 1 3.785 0.013 . 2 . . . . . 7 S HB2 . 50410 1 40 . 1 . 1 7 7 SER HB3 H 1 3.785 0.013 . 2 . . . . . 7 S HB3 . 50410 1 41 . 1 . 1 7 7 SER C C 13 173.903 0.016 . 1 . . . . . 7 S C . 50410 1 42 . 1 . 1 7 7 SER CA C 13 58.055 0.050 . 1 . . . . . 7 S CA . 50410 1 43 . 1 . 1 7 7 SER CB C 13 63.842 0.061 . 1 . . . . . 7 S CB . 50410 1 44 . 1 . 1 7 7 SER N N 15 116.240 0.087 . 1 . . . . . 7 S N . 50410 1 45 . 1 . 1 8 8 LEU H H 1 8.116 0.004 . 1 . . . . . 8 L H . 50410 1 46 . 1 . 1 8 8 LEU HA H 1 4.573 0.011 . 1 . . . . . 8 L HA . 50410 1 47 . 1 . 1 8 8 LEU HB2 H 1 1.582 0.009 . 2 . . . . . 8 L HB2 . 50410 1 48 . 1 . 1 8 8 LEU HB3 H 1 1.518 0.015 . 2 . . . . . 8 L HB3 . 50410 1 49 . 1 . 1 8 8 LEU HG H 1 1.606 0.022 . 1 . . . . . 8 L HG . 50410 1 50 . 1 . 1 8 8 LEU HD11 H 1 0.849 0.014 . 2 . . . . . 8 L MD1 . 50410 1 51 . 1 . 1 8 8 LEU HD12 H 1 0.849 0.014 . 2 . . . . . 8 L MD1 . 50410 1 52 . 1 . 1 8 8 LEU HD13 H 1 0.849 0.014 . 2 . . . . . 8 L MD1 . 50410 1 53 . 1 . 1 8 8 LEU C C 13 175.200 0.000 . 1 . . . . . 8 L C . 50410 1 54 . 1 . 1 8 8 LEU CA C 13 53.172 0.059 . 1 . . . . . 8 L CA . 50410 1 55 . 1 . 1 8 8 LEU CB C 13 41.868 0.104 . 1 . . . . . 8 L CB . 50410 1 56 . 1 . 1 8 8 LEU CG C 13 27.006 0.120 . 1 . . . . . 8 L CG . 50410 1 57 . 1 . 1 8 8 LEU CD1 C 13 25.181 0.000 . 2 . . . . . 8 L CD1 . 50410 1 58 . 1 . 1 8 8 LEU CD2 C 13 23.443 0.000 . 2 . . . . . 8 L CD2 . 50410 1 59 . 1 . 1 8 8 LEU N N 15 124.874 0.066 . 1 . . . . . 8 L N . 50410 1 60 . 1 . 1 9 9 PRO HA H 1 4.354 0.008 . 1 . . . . . 9 P HA . 50410 1 61 . 1 . 1 9 9 PRO HB2 H 1 2.208 0.008 . 2 . . . . . 9 P HB2 . 50410 1 62 . 1 . 1 9 9 PRO HB3 H 1 1.809 0.006 . 2 . . . . . 9 P HB3 . 50410 1 63 . 1 . 1 9 9 PRO HG2 H 1 1.943 0.010 . 2 . . . . . 9 P HG2 . 50410 1 64 . 1 . 1 9 9 PRO HD2 H 1 3.751 0.009 . 2 . . . . . 9 P HD2 . 50410 1 65 . 1 . 1 9 9 PRO HD3 H 1 3.576 0.009 . 2 . . . . . 9 P HD3 . 50410 1 66 . 1 . 1 9 9 PRO C C 13 176.452 0.001 . 1 . . . . . 9 P C . 50410 1 67 . 1 . 1 9 9 PRO CA C 13 63.278 0.073 . 1 . . . . . 9 P CA . 50410 1 68 . 1 . 1 9 9 PRO CB C 13 32.001 0.122 . 1 . . . . . 9 P CB . 50410 1 69 . 1 . 1 9 9 PRO CG C 13 27.252 0.022 . 1 . . . . . 9 P CG . 50410 1 70 . 1 . 1 9 9 PRO CD C 13 50.433 0.078 . 1 . . . . . 9 P CD . 50410 1 71 . 1 . 1 10 10 ASN H H 1 8.436 0.005 . 1 . . . . . 10 N H . 50410 1 72 . 1 . 1 10 10 ASN HA H 1 4.615 0.021 . 1 . . . . . 10 N HA . 50410 1 73 . 1 . 1 10 10 ASN HB2 H 1 2.768 0.009 . 2 . . . . . 10 N HB2 . 50410 1 74 . 1 . 1 10 10 ASN HB3 H 1 2.715 0.021 . 2 . . . . . 10 N HB3 . 50410 1 75 . 1 . 1 10 10 ASN HD21 H 1 7.524 0.000 . 2 . . . . . 10 N HD21 . 50410 1 76 . 1 . 1 10 10 ASN HD22 H 1 6.872 0.001 . 2 . . . . . 10 N HD22 . 50410 1 77 . 1 . 1 10 10 ASN C C 13 174.780 0.002 . 1 . . . . . 10 N C . 50410 1 78 . 1 . 1 10 10 ASN CA C 13 53.218 0.088 . 1 . . . . . 10 N CA . 50410 1 79 . 1 . 1 10 10 ASN CB C 13 38.379 0.070 . 1 . . . . . 10 N CB . 50410 1 80 . 1 . 1 10 10 ASN N N 15 117.865 0.105 . 1 . . . . . 10 N N . 50410 1 81 . 1 . 1 10 10 ASN ND2 N 15 112.250 0.092 . 1 . . . . . 10 N ND2 . 50410 1 82 . 1 . 1 11 11 ILE H H 1 7.723 0.006 . 1 . . . . . 11 I H . 50410 1 83 . 1 . 1 11 11 ILE HA H 1 4.122 0.011 . 1 . . . . . 11 I HA . 50410 1 84 . 1 . 1 11 11 ILE HB H 1 1.759 0.007 . 1 . . . . . 11 I HB . 50410 1 85 . 1 . 1 11 11 ILE HG12 H 1 1.040 0.005 . 2 . . . . . 11 I HG12 . 50410 1 86 . 1 . 1 11 11 ILE HG13 H 1 1.333 0.005 . 2 . . . . . 11 I HG13 . 50410 1 87 . 1 . 1 11 11 ILE HG21 H 1 0.732 0.008 . 1 . . . . . 11 I MG . 50410 1 88 . 1 . 1 11 11 ILE HG22 H 1 0.732 0.008 . 1 . . . . . 11 I MG . 50410 1 89 . 1 . 1 11 11 ILE HG23 H 1 0.732 0.008 . 1 . . . . . 11 I MG . 50410 1 90 . 1 . 1 11 11 ILE HD11 H 1 0.718 0.009 . 1 . . . . . 11 I MD . 50410 1 91 . 1 . 1 11 11 ILE HD12 H 1 0.718 0.009 . 1 . . . . . 11 I MD . 50410 1 92 . 1 . 1 11 11 ILE HD13 H 1 0.718 0.009 . 1 . . . . . 11 I MD . 50410 1 93 . 1 . 1 11 11 ILE C C 13 175.256 0.020 . 1 . . . . . 11 I C . 50410 1 94 . 1 . 1 11 11 ILE CA C 13 60.536 0.088 . 1 . . . . . 11 I CA . 50410 1 95 . 1 . 1 11 11 ILE CB C 13 38.857 0.175 . 1 . . . . . 11 I CB . 50410 1 96 . 1 . 1 11 11 ILE CG1 C 13 26.969 0.095 . 1 . . . . . 11 I CG1 . 50410 1 97 . 1 . 1 11 11 ILE CG2 C 13 17.653 0.055 . 1 . . . . . 11 I CG2 . 50410 1 98 . 1 . 1 11 11 ILE CD1 C 13 13.118 0.111 . 1 . . . . . 11 I CD1 . 50410 1 99 . 1 . 1 11 11 ILE N N 15 120.037 0.093 . 1 . . . . . 11 I N . 50410 1 100 . 1 . 1 12 12 GLN H H 1 8.441 0.005 . 1 . . . . . 12 Q H . 50410 1 101 . 1 . 1 12 12 GLN HA H 1 4.346 0.015 . 1 . . . . . 12 Q HA . 50410 1 102 . 1 . 1 12 12 GLN HB2 H 1 1.926 0.014 . 2 . . . . . 12 Q HB2 . 50410 1 103 . 1 . 1 12 12 GLN HB3 H 1 1.926 0.014 . 2 . . . . . 12 Q HB3 . 50410 1 104 . 1 . 1 12 12 GLN HG2 H 1 2.253 0.010 . 2 . . . . . 12 Q HG2 . 50410 1 105 . 1 . 1 12 12 GLN HG3 H 1 2.253 0.010 . 2 . . . . . 12 Q HG3 . 50410 1 106 . 1 . 1 12 12 GLN HE21 H 1 7.444 0.002 . 2 . . . . . 12 Q HE21 . 50410 1 107 . 1 . 1 12 12 GLN HE22 H 1 6.776 0.002 . 2 . . . . . 12 Q HE22 . 50410 1 108 . 1 . 1 12 12 GLN C C 13 175.198 0.111 . 1 . . . . . 12 Q C . 50410 1 109 . 1 . 1 12 12 GLN CA C 13 55.168 0.073 . 1 . . . . . 12 Q CA . 50410 1 110 . 1 . 1 12 12 GLN CB C 13 29.427 0.074 . 1 . . . . . 12 Q CB . 50410 1 111 . 1 . 1 12 12 GLN CG C 13 33.722 0.068 . 1 . . . . . 12 Q CG . 50410 1 112 . 1 . 1 12 12 GLN N N 15 125.067 0.088 . 1 . . . . . 12 Q N . 50410 1 113 . 1 . 1 12 12 GLN NE2 N 15 111.339 0.155 . 1 . . . . . 12 Q NE2 . 50410 1 114 . 1 . 1 13 13 ILE H H 1 8.329 0.005 . 1 . . . . . 13 I H . 50410 1 115 . 1 . 1 13 13 ILE HA H 1 3.950 0.009 . 1 . . . . . 13 I HA . 50410 1 116 . 1 . 1 13 13 ILE HB H 1 1.802 0.007 . 1 . . . . . 13 I HB . 50410 1 117 . 1 . 1 13 13 ILE HG12 H 1 1.412 0.008 . 2 . . . . . 13 I HG12 . 50410 1 118 . 1 . 1 13 13 ILE HG13 H 1 1.112 0.007 . 2 . . . . . 13 I HG13 . 50410 1 119 . 1 . 1 13 13 ILE HG21 H 1 0.755 0.010 . 1 . . . . . 13 I MG . 50410 1 120 . 1 . 1 13 13 ILE HG22 H 1 0.755 0.010 . 1 . . . . . 13 I MG . 50410 1 121 . 1 . 1 13 13 ILE HG23 H 1 0.755 0.010 . 1 . . . . . 13 I MG . 50410 1 122 . 1 . 1 13 13 ILE HD11 H 1 0.713 0.001 . 1 . . . . . 13 I MD . 50410 1 123 . 1 . 1 13 13 ILE HD12 H 1 0.713 0.001 . 1 . . . . . 13 I MD . 50410 1 124 . 1 . 1 13 13 ILE HD13 H 1 0.713 0.001 . 1 . . . . . 13 I MD . 50410 1 125 . 1 . 1 13 13 ILE C C 13 175.423 0.015 . 1 . . . . . 13 I C . 50410 1 126 . 1 . 1 13 13 ILE CA C 13 60.729 0.084 . 1 . . . . . 13 I CA . 50410 1 127 . 1 . 1 13 13 ILE CB C 13 37.862 0.116 . 1 . . . . . 13 I CB . 50410 1 128 . 1 . 1 13 13 ILE CG1 C 13 27.048 0.052 . 1 . . . . . 13 I CG1 . 50410 1 129 . 1 . 1 13 13 ILE CG2 C 13 18.145 0.031 . 1 . . . . . 13 I CG2 . 50410 1 130 . 1 . 1 13 13 ILE CD1 C 13 12.412 0.041 . 1 . . . . . 13 I CD1 . 50410 1 131 . 1 . 1 13 13 ILE N N 15 123.919 0.069 . 1 . . . . . 13 I N . 50410 1 132 . 1 . 1 14 14 LYS H H 1 7.929 0.008 . 1 . . . . . 14 K H . 50410 1 133 . 1 . 1 14 14 LYS HA H 1 4.421 0.010 . 1 . . . . . 14 K HA . 50410 1 134 . 1 . 1 14 14 LYS HB2 H 1 1.799 0.020 . 2 . . . . . 14 K HB2 . 50410 1 135 . 1 . 1 14 14 LYS HB3 H 1 1.672 0.031 . 2 . . . . . 14 K HB3 . 50410 1 136 . 1 . 1 14 14 LYS HG2 H 1 1.407 0.008 . 2 . . . . . 14 K HG2 . 50410 1 137 . 1 . 1 14 14 LYS HG3 H 1 1.407 0.008 . 2 . . . . . 14 K HG3 . 50410 1 138 . 1 . 1 14 14 LYS HD2 H 1 1.644 0.001 . 2 . . . . . 14 K HD2 . 50410 1 139 . 1 . 1 14 14 LYS HD3 H 1 1.644 0.001 . 2 . . . . . 14 K HD3 . 50410 1 140 . 1 . 1 14 14 LYS HE2 H 1 2.959 0.011 . 2 . . . . . 14 K HE2 . 50410 1 141 . 1 . 1 14 14 LYS HE3 H 1 2.959 0.011 . 2 . . . . . 14 K HE3 . 50410 1 142 . 1 . 1 14 14 LYS C C 13 175.689 0.028 . 1 . . . . . 14 K C . 50410 1 143 . 1 . 1 14 14 LYS CA C 13 55.675 0.280 . 1 . . . . . 14 K CA . 50410 1 144 . 1 . 1 14 14 LYS CB C 13 33.628 0.241 . 1 . . . . . 14 K CB . 50410 1 145 . 1 . 1 14 14 LYS CG C 13 24.636 0.057 . 1 . . . . . 14 K CG . 50410 1 146 . 1 . 1 14 14 LYS CD C 13 29.027 0.094 . 1 . . . . . 14 K CD . 50410 1 147 . 1 . 1 14 14 LYS CE C 13 41.997 0.150 . 1 . . . . . 14 K CE . 50410 1 148 . 1 . 1 14 14 LYS N N 15 126.814 0.112 . 1 . . . . . 14 K N . 50410 1 149 . 1 . 1 15 15 SER H H 1 8.086 0.008 . 1 . . . . . 15 S H . 50410 1 150 . 1 . 1 15 15 SER HA H 1 4.222 0.008 . 1 . . . . . 15 S HA . 50410 1 151 . 1 . 1 15 15 SER HB2 H 1 3.770 0.008 . 2 . . . . . 15 S HB2 . 50410 1 152 . 1 . 1 15 15 SER HB3 H 1 3.770 0.008 . 2 . . . . . 15 S HB3 . 50410 1 153 . 1 . 1 15 15 SER C C 13 173.362 0.000 . 1 . . . . . 15 S C . 50410 1 154 . 1 . 1 15 15 SER CA C 13 58.476 0.085 . 1 . . . . . 15 S CA . 50410 1 155 . 1 . 1 15 15 SER CB C 13 63.930 0.085 . 1 . . . . . 15 S CB . 50410 1 156 . 1 . 1 15 15 SER N N 15 116.240 0.126 . 1 . . . . . 15 S N . 50410 1 157 . 1 . 1 16 16 ILE H H 1 8.109 0.029 . 1 . . . . . 16 I H . 50410 1 158 . 1 . 1 16 16 ILE HA H 1 3.898 0.024 . 1 . . . . . 16 I HA . 50410 1 159 . 1 . 1 16 16 ILE HB H 1 1.279 0.009 . 1 . . . . . 16 I HB . 50410 1 160 . 1 . 1 16 16 ILE HG12 H 1 1.424 0.000 . 2 . . . . . 16 I HG12 . 50410 1 161 . 1 . 1 16 16 ILE HG13 H 1 1.424 0.000 . 2 . . . . . 16 I HG13 . 50410 1 162 . 1 . 1 16 16 ILE HG21 H 1 0.467 0.016 . 1 . . . . . 16 I MG . 50410 1 163 . 1 . 1 16 16 ILE HG22 H 1 0.467 0.016 . 1 . . . . . 16 I MG . 50410 1 164 . 1 . 1 16 16 ILE HG23 H 1 0.467 0.016 . 1 . . . . . 16 I MG . 50410 1 165 . 1 . 1 16 16 ILE HD11 H 1 0.162 0.014 . 1 . . . . . 16 I MD . 50410 1 166 . 1 . 1 16 16 ILE HD12 H 1 0.162 0.014 . 1 . . . . . 16 I MD . 50410 1 167 . 1 . 1 16 16 ILE HD13 H 1 0.162 0.014 . 1 . . . . . 16 I MD . 50410 1 168 . 1 . 1 16 16 ILE C C 13 174.439 0.071 . 1 . . . . . 16 I C . 50410 1 169 . 1 . 1 16 16 ILE CA C 13 60.576 0.109 . 1 . . . . . 16 I CA . 50410 1 170 . 1 . 1 16 16 ILE CB C 13 41.079 0.086 . 1 . . . . . 16 I CB . 50410 1 171 . 1 . 1 16 16 ILE CG1 C 13 26.762 0.035 . 1 . . . . . 16 I CG1 . 50410 1 172 . 1 . 1 16 16 ILE CG2 C 13 16.417 0.095 . 1 . . . . . 16 I CG2 . 50410 1 173 . 1 . 1 16 16 ILE CD1 C 13 12.371 0.176 . 1 . . . . . 16 I CD1 . 50410 1 174 . 1 . 1 16 16 ILE N N 15 122.587 0.107 . 1 . . . . . 16 I N . 50410 1 175 . 1 . 1 17 17 ALA H H 1 8.033 0.020 . 1 . . . . . 17 A H . 50410 1 176 . 1 . 1 17 17 ALA HA H 1 4.043 0.009 . 1 . . . . . 17 A HA . 50410 1 177 . 1 . 1 17 17 ALA HB1 H 1 1.433 0.009 . 1 . . . . . 17 A MB . 50410 1 178 . 1 . 1 17 17 ALA HB2 H 1 1.433 0.009 . 1 . . . . . 17 A MB . 50410 1 179 . 1 . 1 17 17 ALA HB3 H 1 1.433 0.009 . 1 . . . . . 17 A MB . 50410 1 180 . 1 . 1 17 17 ALA C C 13 177.158 0.022 . 1 . . . . . 17 A C . 50410 1 181 . 1 . 1 17 17 ALA CA C 13 54.410 0.114 . 1 . . . . . 17 A CA . 50410 1 182 . 1 . 1 17 17 ALA CB C 13 18.057 0.056 . 1 . . . . . 17 A CB . 50410 1 183 . 1 . 1 17 17 ALA N N 15 130.220 0.079 . 1 . . . . . 17 A N . 50410 1 184 . 1 . 1 18 18 GLY H H 1 8.355 0.006 . 1 . . . . . 18 G H . 50410 1 185 . 1 . 1 18 18 GLY HA2 H 1 4.712 0.014 . 2 . . . . . 18 G HA2 . 50410 1 186 . 1 . 1 18 18 GLY HA3 H 1 3.625 0.012 . 2 . . . . . 18 G HA3 . 50410 1 187 . 1 . 1 18 18 GLY C C 13 174.345 0.034 . 1 . . . . . 18 G C . 50410 1 188 . 1 . 1 18 18 GLY CA C 13 45.222 0.052 . 1 . . . . . 18 G CA . 50410 1 189 . 1 . 1 18 18 GLY N N 15 109.436 0.057 . 1 . . . . . 18 G N . 50410 1 190 . 1 . 1 19 19 ILE H H 1 7.983 0.004 . 1 . . . . . 19 I H . 50410 1 191 . 1 . 1 19 19 ILE HA H 1 4.523 0.012 . 1 . . . . . 19 I HA . 50410 1 192 . 1 . 1 19 19 ILE HB H 1 1.921 0.007 . 1 . . . . . 19 I HB . 50410 1 193 . 1 . 1 19 19 ILE HG12 H 1 1.070 0.017 . 2 . . . . . 19 I HG12 . 50410 1 194 . 1 . 1 19 19 ILE HG13 H 1 1.043 0.001 . 2 . . . . . 19 I HG13 . 50410 1 195 . 1 . 1 19 19 ILE HG21 H 1 0.730 0.026 . 1 . . . . . 19 I MG . 50410 1 196 . 1 . 1 19 19 ILE HG22 H 1 0.730 0.026 . 1 . . . . . 19 I MG . 50410 1 197 . 1 . 1 19 19 ILE HG23 H 1 0.730 0.026 . 1 . . . . . 19 I MG . 50410 1 198 . 1 . 1 19 19 ILE HD11 H 1 0.634 0.011 . 1 . . . . . 19 I MD . 50410 1 199 . 1 . 1 19 19 ILE HD12 H 1 0.634 0.011 . 1 . . . . . 19 I MD . 50410 1 200 . 1 . 1 19 19 ILE HD13 H 1 0.634 0.011 . 1 . . . . . 19 I MD . 50410 1 201 . 1 . 1 19 19 ILE C C 13 174.848 0.000 . 1 . . . . . 19 I C . 50410 1 202 . 1 . 1 19 19 ILE CA C 13 57.968 0.048 . 1 . . . . . 19 I CA . 50410 1 203 . 1 . 1 19 19 ILE CB C 13 39.352 0.170 . 1 . . . . . 19 I CB . 50410 1 204 . 1 . 1 19 19 ILE CG1 C 13 26.146 0.070 . 1 . . . . . 19 I CG1 . 50410 1 205 . 1 . 1 19 19 ILE CG2 C 13 18.002 0.032 . 1 . . . . . 19 I CG2 . 50410 1 206 . 1 . 1 19 19 ILE CD1 C 13 12.126 0.094 . 1 . . . . . 19 I CD1 . 50410 1 207 . 1 . 1 19 19 ILE N N 15 117.585 0.085 . 1 . . . . . 19 I N . 50410 1 208 . 1 . 1 20 20 THR HA H 1 4.408 0.009 . 1 . . . . . 20 T HA . 50410 1 209 . 1 . 1 20 20 THR HB H 1 4.383 0.014 . 1 . . . . . 20 T HB . 50410 1 210 . 1 . 1 20 20 THR HG21 H 1 1.088 0.012 . 1 . . . . . 20 T MG . 50410 1 211 . 1 . 1 20 20 THR HG22 H 1 1.088 0.012 . 1 . . . . . 20 T MG . 50410 1 212 . 1 . 1 20 20 THR HG23 H 1 1.088 0.012 . 1 . . . . . 20 T MG . 50410 1 213 . 1 . 1 20 20 THR C C 13 174.480 0.000 . 1 . . . . . 20 T C . 50410 1 214 . 1 . 1 20 20 THR CA C 13 60.431 0.113 . 1 . . . . . 20 T CA . 50410 1 215 . 1 . 1 20 20 THR CB C 13 69.565 0.079 . 1 . . . . . 20 T CB . 50410 1 216 . 1 . 1 20 20 THR CG2 C 13 21.332 0.085 . 1 . . . . . 20 T CG2 . 50410 1 217 . 1 . 1 21 21 GLU H H 1 6.762 0.006 . 1 . . . . . 21 E H . 50410 1 218 . 1 . 1 21 21 GLU HA H 1 4.515 0.013 . 1 . . . . . 21 E HA . 50410 1 219 . 1 . 1 21 21 GLU HB2 H 1 1.886 0.012 . 2 . . . . . 21 E HB2 . 50410 1 220 . 1 . 1 21 21 GLU HB3 H 1 1.760 0.008 . 2 . . . . . 21 E HB3 . 50410 1 221 . 1 . 1 21 21 GLU HG2 H 1 2.162 0.000 . 2 . . . . . 21 E HG2 . 50410 1 222 . 1 . 1 21 21 GLU HG3 H 1 2.162 0.000 . 2 . . . . . 21 E HG3 . 50410 1 223 . 1 . 1 21 21 GLU C C 13 174.721 0.000 . 1 . . . . . 21 E C . 50410 1 224 . 1 . 1 21 21 GLU CA C 13 53.351 0.168 . 1 . . . . . 21 E CA . 50410 1 225 . 1 . 1 21 21 GLU CB C 13 30.585 0.039 . 1 . . . . . 21 E CB . 50410 1 226 . 1 . 1 21 21 GLU CG C 13 35.229 0.000 . 1 . . . . . 21 E CG . 50410 1 227 . 1 . 1 21 21 GLU N N 15 123.177 0.054 . 1 . . . . . 21 E N . 50410 1 228 . 1 . 1 22 22 PRO HA H 1 4.064 0.021 . 1 . . . . . 22 P HA . 50410 1 229 . 1 . 1 22 22 PRO HB2 H 1 2.361 0.010 . 2 . . . . . 22 P HB2 . 50410 1 230 . 1 . 1 22 22 PRO HB3 H 1 2.005 0.010 . 2 . . . . . 22 P HB3 . 50410 1 231 . 1 . 1 22 22 PRO HG2 H 1 2.154 0.004 . 2 . . . . . 22 P HG2 . 50410 1 232 . 1 . 1 22 22 PRO HG3 H 1 1.928 0.000 . 2 . . . . . 22 P HG3 . 50410 1 233 . 1 . 1 22 22 PRO HD2 H 1 4.338 0.013 . 2 . . . . . 22 P HD2 . 50410 1 234 . 1 . 1 22 22 PRO HD3 H 1 3.854 0.011 . 2 . . . . . 22 P HD3 . 50410 1 235 . 1 . 1 22 22 PRO C C 13 178.348 0.016 . 1 . . . . . 22 P C . 50410 1 236 . 1 . 1 22 22 PRO CA C 13 66.142 0.076 . 1 . . . . . 22 P CA . 50410 1 237 . 1 . 1 22 22 PRO CB C 13 32.241 0.174 . 1 . . . . . 22 P CB . 50410 1 238 . 1 . 1 22 22 PRO CG C 13 27.520 0.174 . 1 . . . . . 22 P CG . 50410 1 239 . 1 . 1 22 22 PRO CD C 13 51.938 0.088 . 1 . . . . . 22 P CD . 50410 1 240 . 1 . 1 23 23 THR H H 1 9.498 0.008 . 1 . . . . . 23 T H . 50410 1 241 . 1 . 1 23 23 THR HA H 1 3.785 0.020 . 1 . . . . . 23 T HA . 50410 1 242 . 1 . 1 23 23 THR HB H 1 3.786 0.012 . 1 . . . . . 23 T HB . 50410 1 243 . 1 . 1 23 23 THR HG21 H 1 1.150 0.006 . 1 . . . . . 23 T MG . 50410 1 244 . 1 . 1 23 23 THR HG22 H 1 1.150 0.006 . 1 . . . . . 23 T MG . 50410 1 245 . 1 . 1 23 23 THR HG23 H 1 1.150 0.006 . 1 . . . . . 23 T MG . 50410 1 246 . 1 . 1 23 23 THR C C 13 175.512 0.019 . 1 . . . . . 23 T C . 50410 1 247 . 1 . 1 23 23 THR CA C 13 66.741 0.120 . 1 . . . . . 23 T CA . 50410 1 248 . 1 . 1 23 23 THR CB C 13 68.983 0.103 . 1 . . . . . 23 T CB . 50410 1 249 . 1 . 1 23 23 THR CG2 C 13 22.938 0.167 . 1 . . . . . 23 T CG2 . 50410 1 250 . 1 . 1 23 23 THR N N 15 114.202 0.054 . 1 . . . . . 23 T N . 50410 1 251 . 1 . 1 24 24 ILE H H 1 6.922 0.008 . 1 . . . . . 24 I H . 50410 1 252 . 1 . 1 24 24 ILE HA H 1 3.188 0.011 . 1 . . . . . 24 I HA . 50410 1 253 . 1 . 1 24 24 ILE HB H 1 1.956 0.011 . 1 . . . . . 24 I HB . 50410 1 254 . 1 . 1 24 24 ILE HG12 H 1 1.168 0.005 . 2 . . . . . 24 I HG12 . 50410 1 255 . 1 . 1 24 24 ILE HG13 H 1 0.872 0.009 . 2 . . . . . 24 I HG13 . 50410 1 256 . 1 . 1 24 24 ILE HG21 H 1 0.530 0.013 . 1 . . . . . 24 I MG . 50410 1 257 . 1 . 1 24 24 ILE HG22 H 1 0.530 0.013 . 1 . . . . . 24 I MG . 50410 1 258 . 1 . 1 24 24 ILE HG23 H 1 0.530 0.013 . 1 . . . . . 24 I MG . 50410 1 259 . 1 . 1 24 24 ILE HD11 H 1 -0.520 0.009 . 1 . . . . . 24 I MD . 50410 1 260 . 1 . 1 24 24 ILE HD12 H 1 -0.520 0.009 . 1 . . . . . 24 I MD . 50410 1 261 . 1 . 1 24 24 ILE HD13 H 1 -0.520 0.009 . 1 . . . . . 24 I MD . 50410 1 262 . 1 . 1 24 24 ILE C C 13 177.076 0.029 . 1 . . . . . 24 I C . 50410 1 263 . 1 . 1 24 24 ILE CA C 13 60.307 0.064 . 1 . . . . . 24 I CA . 50410 1 264 . 1 . 1 24 24 ILE CB C 13 34.567 0.102 . 1 . . . . . 24 I CB . 50410 1 265 . 1 . 1 24 24 ILE CG1 C 13 26.706 0.091 . 1 . . . . . 24 I CG1 . 50410 1 266 . 1 . 1 24 24 ILE CG2 C 13 17.716 0.086 . 1 . . . . . 24 I CG2 . 50410 1 267 . 1 . 1 24 24 ILE CD1 C 13 6.558 0.048 . 1 . . . . . 24 I CD1 . 50410 1 268 . 1 . 1 24 24 ILE N N 15 116.721 0.060 . 1 . . . . . 24 I N . 50410 1 269 . 1 . 1 25 25 LEU H H 1 7.313 0.010 . 1 . . . . . 25 L H . 50410 1 270 . 1 . 1 25 25 LEU HA H 1 3.995 0.011 . 1 . . . . . 25 L HA . 50410 1 271 . 1 . 1 25 25 LEU HB2 H 1 1.799 0.005 . 2 . . . . . 25 L HB2 . 50410 1 272 . 1 . 1 25 25 LEU HB3 H 1 1.454 0.012 . 2 . . . . . 25 L HB3 . 50410 1 273 . 1 . 1 25 25 LEU HD11 H 1 0.829 0.007 . 2 . . . . . 25 L MD1 . 50410 1 274 . 1 . 1 25 25 LEU HD12 H 1 0.829 0.007 . 2 . . . . . 25 L MD1 . 50410 1 275 . 1 . 1 25 25 LEU HD13 H 1 0.829 0.007 . 2 . . . . . 25 L MD1 . 50410 1 276 . 1 . 1 25 25 LEU HD21 H 1 0.743 0.010 . 2 . . . . . 25 L MD2 . 50410 1 277 . 1 . 1 25 25 LEU HD22 H 1 0.743 0.010 . 2 . . . . . 25 L MD2 . 50410 1 278 . 1 . 1 25 25 LEU HD23 H 1 0.743 0.010 . 2 . . . . . 25 L MD2 . 50410 1 279 . 1 . 1 25 25 LEU C C 13 180.692 0.027 . 1 . . . . . 25 L C . 50410 1 280 . 1 . 1 25 25 LEU CA C 13 58.445 0.143 . 1 . . . . . 25 L CA . 50410 1 281 . 1 . 1 25 25 LEU CB C 13 40.819 0.076 . 1 . . . . . 25 L CB . 50410 1 282 . 1 . 1 25 25 LEU CG C 13 27.126 0.000 . 1 . . . . . 25 L CG . 50410 1 283 . 1 . 1 25 25 LEU CD1 C 13 22.454 0.068 . 2 . . . . . 25 L CD1 . 50410 1 284 . 1 . 1 25 25 LEU CD2 C 13 24.681 0.086 . 2 . . . . . 25 L CD2 . 50410 1 285 . 1 . 1 25 25 LEU N N 15 118.532 0.039 . 1 . . . . . 25 L N . 50410 1 286 . 1 . 1 26 26 GLN H H 1 8.667 0.007 . 1 . . . . . 26 Q H . 50410 1 287 . 1 . 1 26 26 GLN HA H 1 4.001 0.011 . 1 . . . . . 26 Q HA . 50410 1 288 . 1 . 1 26 26 GLN HB2 H 1 2.150 0.020 . 2 . . . . . 26 Q HB2 . 50410 1 289 . 1 . 1 26 26 GLN HB3 H 1 2.035 0.018 . 2 . . . . . 26 Q HB3 . 50410 1 290 . 1 . 1 26 26 GLN HG2 H 1 2.424 0.004 . 2 . . . . . 26 Q HG2 . 50410 1 291 . 1 . 1 26 26 GLN HG3 H 1 2.301 0.021 . 2 . . . . . 26 Q HG3 . 50410 1 292 . 1 . 1 26 26 GLN HE21 H 1 7.056 0.002 . 2 . . . . . 26 Q HE21 . 50410 1 293 . 1 . 1 26 26 GLN HE22 H 1 6.581 0.001 . 2 . . . . . 26 Q HE22 . 50410 1 294 . 1 . 1 26 26 GLN C C 13 178.313 0.033 . 1 . . . . . 26 Q C . 50410 1 295 . 1 . 1 26 26 GLN CA C 13 58.834 0.277 . 1 . . . . . 26 Q CA . 50410 1 296 . 1 . 1 26 26 GLN CB C 13 28.159 0.203 . 1 . . . . . 26 Q CB . 50410 1 297 . 1 . 1 26 26 GLN CG C 13 34.029 0.139 . 1 . . . . . 26 Q CG . 50410 1 298 . 1 . 1 26 26 GLN N N 15 117.502 0.045 . 1 . . . . . 26 Q N . 50410 1 299 . 1 . 1 26 26 GLN NE2 N 15 108.773 0.017 . 1 . . . . . 26 Q NE2 . 50410 1 300 . 1 . 1 27 27 TYR H H 1 8.094 0.006 . 1 . . . . . 27 Y H . 50410 1 301 . 1 . 1 27 27 TYR HA H 1 3.613 0.008 . 1 . . . . . 27 Y HA . 50410 1 302 . 1 . 1 27 27 TYR HB2 H 1 2.907 0.015 . 2 . . . . . 27 Y HB2 . 50410 1 303 . 1 . 1 27 27 TYR HB3 H 1 2.631 0.009 . 2 . . . . . 27 Y HB3 . 50410 1 304 . 1 . 1 27 27 TYR HD1 H 1 7.290 0.013 . 3 . . . . . 27 Y HD1 . 50410 1 305 . 1 . 1 27 27 TYR HD2 H 1 7.290 0.013 . 3 . . . . . 27 Y HD2 . 50410 1 306 . 1 . 1 27 27 TYR HE1 H 1 6.123 0.000 . 3 . . . . . 27 Y HE1 . 50410 1 307 . 1 . 1 27 27 TYR HE2 H 1 6.123 0.000 . 3 . . . . . 27 Y HE2 . 50410 1 308 . 1 . 1 27 27 TYR C C 13 174.891 0.014 . 1 . . . . . 27 Y C . 50410 1 309 . 1 . 1 27 27 TYR CA C 13 62.642 0.127 . 1 . . . . . 27 Y CA . 50410 1 310 . 1 . 1 27 27 TYR CB C 13 37.109 0.050 . 1 . . . . . 27 Y CB . 50410 1 311 . 1 . 1 27 27 TYR N N 15 125.524 0.056 . 1 . . . . . 27 Y N . 50410 1 312 . 1 . 1 28 28 PHE H H 1 7.111 0.009 . 1 . . . . . 28 F H . 50410 1 313 . 1 . 1 28 28 PHE HA H 1 3.806 0.016 . 1 . . . . . 28 F HA . 50410 1 314 . 1 . 1 28 28 PHE HB2 H 1 2.950 0.015 . 2 . . . . . 28 F HB2 . 50410 1 315 . 1 . 1 28 28 PHE HB3 H 1 2.664 0.008 . 2 . . . . . 28 F HB3 . 50410 1 316 . 1 . 1 28 28 PHE HD1 H 1 7.025 0.019 . 3 . . . . . 28 F HD1 . 50410 1 317 . 1 . 1 28 28 PHE HD2 H 1 7.025 0.019 . 3 . . . . . 28 F HD2 . 50410 1 318 . 1 . 1 28 28 PHE HE1 H 1 7.284 0.017 . 3 . . . . . 28 F HE1 . 50410 1 319 . 1 . 1 28 28 PHE HE2 H 1 7.284 0.017 . 3 . . . . . 28 F HE2 . 50410 1 320 . 1 . 1 28 28 PHE C C 13 177.039 0.017 . 1 . . . . . 28 F C . 50410 1 321 . 1 . 1 28 28 PHE CA C 13 62.976 0.043 . 1 . . . . . 28 F CA . 50410 1 322 . 1 . 1 28 28 PHE CB C 13 39.196 0.139 . 1 . . . . . 28 F CB . 50410 1 323 . 1 . 1 28 28 PHE N N 15 113.474 0.055 . 1 . . . . . 28 F N . 50410 1 324 . 1 . 1 29 29 ALA H H 1 8.076 0.011 . 1 . . . . . 29 A H . 50410 1 325 . 1 . 1 29 29 ALA HA H 1 4.233 0.010 . 1 . . . . . 29 A HA . 50410 1 326 . 1 . 1 29 29 ALA HB1 H 1 1.459 0.008 . 1 . . . . . 29 A MB . 50410 1 327 . 1 . 1 29 29 ALA HB2 H 1 1.459 0.008 . 1 . . . . . 29 A MB . 50410 1 328 . 1 . 1 29 29 ALA HB3 H 1 1.459 0.008 . 1 . . . . . 29 A MB . 50410 1 329 . 1 . 1 29 29 ALA C C 13 181.339 0.009 . 1 . . . . . 29 A C . 50410 1 330 . 1 . 1 29 29 ALA CA C 13 55.498 0.074 . 1 . . . . . 29 A CA . 50410 1 331 . 1 . 1 29 29 ALA CB C 13 19.510 0.132 . 1 . . . . . 29 A CB . 50410 1 332 . 1 . 1 29 29 ALA N N 15 120.702 0.055 . 1 . . . . . 29 A N . 50410 1 333 . 1 . 1 30 30 THR H H 1 8.408 0.006 . 1 . . . . . 30 T H . 50410 1 334 . 1 . 1 30 30 THR HA H 1 3.836 0.015 . 1 . . . . . 30 T HA . 50410 1 335 . 1 . 1 30 30 THR HB H 1 4.184 0.018 . 1 . . . . . 30 T HB . 50410 1 336 . 1 . 1 30 30 THR HG21 H 1 1.234 0.019 . 1 . . . . . 30 T MG . 50410 1 337 . 1 . 1 30 30 THR HG22 H 1 1.234 0.019 . 1 . . . . . 30 T MG . 50410 1 338 . 1 . 1 30 30 THR HG23 H 1 1.234 0.019 . 1 . . . . . 30 T MG . 50410 1 339 . 1 . 1 30 30 THR C C 13 176.760 0.061 . 1 . . . . . 30 T C . 50410 1 340 . 1 . 1 30 30 THR CA C 13 65.052 0.072 . 1 . . . . . 30 T CA . 50410 1 341 . 1 . 1 30 30 THR CB C 13 68.114 0.091 . 1 . . . . . 30 T CB . 50410 1 342 . 1 . 1 30 30 THR CG2 C 13 22.903 0.066 . 1 . . . . . 30 T CG2 . 50410 1 343 . 1 . 1 30 30 THR N N 15 109.016 0.118 . 1 . . . . . 30 T N . 50410 1 344 . 1 . 1 31 31 LEU H H 1 7.495 0.006 . 1 . . . . . 31 L H . 50410 1 345 . 1 . 1 31 31 LEU HA H 1 3.911 0.012 . 1 . . . . . 31 L HA . 50410 1 346 . 1 . 1 31 31 LEU HB2 H 1 1.485 0.013 . 2 . . . . . 31 L HB2 . 50410 1 347 . 1 . 1 31 31 LEU HD11 H 1 0.839 0.035 . 2 . . . . . 31 L MD1 . 50410 1 348 . 1 . 1 31 31 LEU HD12 H 1 0.839 0.035 . 2 . . . . . 31 L MD1 . 50410 1 349 . 1 . 1 31 31 LEU HD13 H 1 0.839 0.035 . 2 . . . . . 31 L MD1 . 50410 1 350 . 1 . 1 31 31 LEU HD21 H 1 0.669 0.042 . 2 . . . . . 31 L MD2 . 50410 1 351 . 1 . 1 31 31 LEU HD22 H 1 0.669 0.042 . 2 . . . . . 31 L MD2 . 50410 1 352 . 1 . 1 31 31 LEU HD23 H 1 0.669 0.042 . 2 . . . . . 31 L MD2 . 50410 1 353 . 1 . 1 31 31 LEU C C 13 180.681 0.015 . 1 . . . . . 31 L C . 50410 1 354 . 1 . 1 31 31 LEU CA C 13 58.620 0.124 . 1 . . . . . 31 L CA . 50410 1 355 . 1 . 1 31 31 LEU CB C 13 42.726 0.089 . 1 . . . . . 31 L CB . 50410 1 356 . 1 . 1 31 31 LEU CD1 C 13 24.913 0.000 . 2 . . . . . 31 L CD1 . 50410 1 357 . 1 . 1 31 31 LEU CD2 C 13 25.408 0.143 . 2 . . . . . 31 L CD2 . 50410 1 358 . 1 . 1 31 31 LEU N N 15 124.907 0.074 . 1 . . . . . 31 L N . 50410 1 359 . 1 . 1 32 32 ASN H H 1 8.186 0.004 . 1 . . . . . 32 N H . 50410 1 360 . 1 . 1 32 32 ASN HA H 1 4.726 0.009 . 1 . . . . . 32 N HA . 50410 1 361 . 1 . 1 32 32 ASN HB2 H 1 2.942 0.012 . 2 . . . . . 32 N HB2 . 50410 1 362 . 1 . 1 32 32 ASN HB3 H 1 2.834 0.012 . 2 . . . . . 32 N HB3 . 50410 1 363 . 1 . 1 32 32 ASN HD21 H 1 7.883 0.001 . 2 . . . . . 32 N HD21 . 50410 1 364 . 1 . 1 32 32 ASN HD22 H 1 7.288 0.002 . 2 . . . . . 32 N HD22 . 50410 1 365 . 1 . 1 32 32 ASN C C 13 176.717 0.035 . 1 . . . . . 32 N C . 50410 1 366 . 1 . 1 32 32 ASN CA C 13 55.447 0.098 . 1 . . . . . 32 N CA . 50410 1 367 . 1 . 1 32 32 ASN CB C 13 38.344 0.114 . 1 . . . . . 32 N CB . 50410 1 368 . 1 . 1 32 32 ASN N N 15 116.850 0.112 . 1 . . . . . 32 N N . 50410 1 369 . 1 . 1 32 32 ASN ND2 N 15 109.129 0.015 . 1 . . . . . 32 N ND2 . 50410 1 370 . 1 . 1 33 33 ALA H H 1 7.367 0.014 . 1 . . . . . 33 A H . 50410 1 371 . 1 . 1 33 33 ALA HA H 1 4.414 0.010 . 1 . . . . . 33 A HA . 50410 1 372 . 1 . 1 33 33 ALA HB1 H 1 1.416 0.006 . 1 . . . . . 33 A MB . 50410 1 373 . 1 . 1 33 33 ALA HB2 H 1 1.416 0.006 . 1 . . . . . 33 A MB . 50410 1 374 . 1 . 1 33 33 ALA HB3 H 1 1.416 0.006 . 1 . . . . . 33 A MB . 50410 1 375 . 1 . 1 33 33 ALA C C 13 177.290 0.021 . 1 . . . . . 33 A C . 50410 1 376 . 1 . 1 33 33 ALA CA C 13 51.884 0.048 . 1 . . . . . 33 A CA . 50410 1 377 . 1 . 1 33 33 ALA CB C 13 19.550 0.114 . 1 . . . . . 33 A CB . 50410 1 378 . 1 . 1 33 33 ALA N N 15 119.520 0.160 . 1 . . . . . 33 A N . 50410 1 379 . 1 . 1 34 34 GLY H H 1 7.625 0.008 . 1 . . . . . 34 G H . 50410 1 380 . 1 . 1 34 34 GLY HA2 H 1 3.671 0.009 . 2 . . . . . 34 G HA2 . 50410 1 381 . 1 . 1 34 34 GLY HA3 H 1 2.806 0.007 . 2 . . . . . 34 G HA3 . 50410 1 382 . 1 . 1 34 34 GLY C C 13 174.553 0.015 . 1 . . . . . 34 G C . 50410 1 383 . 1 . 1 34 34 GLY CA C 13 44.847 0.112 . 1 . . . . . 34 G CA . 50410 1 384 . 1 . 1 34 34 GLY N N 15 107.275 0.061 . 1 . . . . . 34 G N . 50410 1 385 . 1 . 1 35 35 GLU H H 1 7.694 0.005 . 1 . . . . . 35 E H . 50410 1 386 . 1 . 1 35 35 GLU HA H 1 4.373 0.014 . 1 . . . . . 35 E HA . 50410 1 387 . 1 . 1 35 35 GLU HB2 H 1 2.116 0.008 . 2 . . . . . 35 E HB2 . 50410 1 388 . 1 . 1 35 35 GLU HB3 H 1 1.456 0.013 . 2 . . . . . 35 E HB3 . 50410 1 389 . 1 . 1 35 35 GLU HG2 H 1 2.050 0.002 . 2 . . . . . 35 E HG2 . 50410 1 390 . 1 . 1 35 35 GLU HG3 H 1 1.934 0.002 . 2 . . . . . 35 E HG3 . 50410 1 391 . 1 . 1 35 35 GLU C C 13 176.598 0.000 . 1 . . . . . 35 E C . 50410 1 392 . 1 . 1 35 35 GLU CA C 13 53.373 0.088 . 1 . . . . . 35 E CA . 50410 1 393 . 1 . 1 35 35 GLU CB C 13 27.262 0.039 . 1 . . . . . 35 E CB . 50410 1 394 . 1 . 1 35 35 GLU CG C 13 34.823 0.134 . 1 . . . . . 35 E CG . 50410 1 395 . 1 . 1 35 35 GLU N N 15 122.079 0.037 . 1 . . . . . 35 E N . 50410 1 396 . 1 . 1 36 36 PHE H H 1 6.800 0.034 . 1 . . . . . 36 F H . 50410 1 397 . 1 . 1 36 36 PHE HA H 1 4.577 0.026 . 1 . . . . . 36 F HA . 50410 1 398 . 1 . 1 36 36 PHE HB2 H 1 3.238 0.015 . 2 . . . . . 36 F HB2 . 50410 1 399 . 1 . 1 36 36 PHE HB3 H 1 2.919 0.016 . 2 . . . . . 36 F HB3 . 50410 1 400 . 1 . 1 36 36 PHE HD1 H 1 7.061 0.005 . 3 . . . . . 36 F HD1 . 50410 1 401 . 1 . 1 36 36 PHE HD2 H 1 7.061 0.005 . 3 . . . . . 36 F HD2 . 50410 1 402 . 1 . 1 36 36 PHE HE1 H 1 7.433 0.000 . 3 . . . . . 36 F HE1 . 50410 1 403 . 1 . 1 36 36 PHE HE2 H 1 7.433 0.000 . 3 . . . . . 36 F HE2 . 50410 1 404 . 1 . 1 36 36 PHE C C 13 177.879 0.000 . 1 . . . . . 36 F C . 50410 1 405 . 1 . 1 36 36 PHE CA C 13 58.821 0.159 . 1 . . . . . 36 F CA . 50410 1 406 . 1 . 1 36 36 PHE CB C 13 38.435 0.078 . 1 . . . . . 36 F CB . 50410 1 407 . 1 . 1 36 36 PHE N N 15 118.641 0.039 . 1 . . . . . 36 F N . 50410 1 408 . 1 . 1 37 37 ALA H H 1 8.537 0.013 . 1 . . . . . 37 A H . 50410 1 409 . 1 . 1 37 37 ALA HA H 1 4.139 0.020 . 1 . . . . . 37 A HA . 50410 1 410 . 1 . 1 37 37 ALA HB1 H 1 1.417 0.008 . 1 . . . . . 37 A MB . 50410 1 411 . 1 . 1 37 37 ALA HB2 H 1 1.417 0.008 . 1 . . . . . 37 A MB . 50410 1 412 . 1 . 1 37 37 ALA HB3 H 1 1.417 0.008 . 1 . . . . . 37 A MB . 50410 1 413 . 1 . 1 37 37 ALA C C 13 180.301 0.042 . 1 . . . . . 37 A C . 50410 1 414 . 1 . 1 37 37 ALA CA C 13 55.012 0.133 . 1 . . . . . 37 A CA . 50410 1 415 . 1 . 1 37 37 ALA CB C 13 17.423 0.101 . 1 . . . . . 37 A CB . 50410 1 416 . 1 . 1 37 37 ALA N N 15 120.655 0.191 . 1 . . . . . 37 A N . 50410 1 417 . 1 . 1 38 38 ALA H H 1 7.519 0.004 . 1 . . . . . 38 A H . 50410 1 418 . 1 . 1 38 38 ALA HA H 1 4.242 0.012 . 1 . . . . . 38 A HA . 50410 1 419 . 1 . 1 38 38 ALA HB1 H 1 1.529 0.008 . 1 . . . . . 38 A MB . 50410 1 420 . 1 . 1 38 38 ALA HB2 H 1 1.529 0.008 . 1 . . . . . 38 A MB . 50410 1 421 . 1 . 1 38 38 ALA HB3 H 1 1.529 0.008 . 1 . . . . . 38 A MB . 50410 1 422 . 1 . 1 38 38 ALA C C 13 180.360 0.029 . 1 . . . . . 38 A C . 50410 1 423 . 1 . 1 38 38 ALA CA C 13 54.537 0.091 . 1 . . . . . 38 A CA . 50410 1 424 . 1 . 1 38 38 ALA CB C 13 17.726 0.093 . 1 . . . . . 38 A CB . 50410 1 425 . 1 . 1 38 38 ALA N N 15 122.361 0.076 . 1 . . . . . 38 A N . 50410 1 426 . 1 . 1 39 39 THR H H 1 8.303 0.007 . 1 . . . . . 39 T H . 50410 1 427 . 1 . 1 39 39 THR HA H 1 3.802 0.010 . 1 . . . . . 39 T HA . 50410 1 428 . 1 . 1 39 39 THR HB H 1 3.941 0.014 . 1 . . . . . 39 T HB . 50410 1 429 . 1 . 1 39 39 THR HG21 H 1 0.881 0.009 . 1 . . . . . 39 T MG . 50410 1 430 . 1 . 1 39 39 THR HG22 H 1 0.881 0.009 . 1 . . . . . 39 T MG . 50410 1 431 . 1 . 1 39 39 THR HG23 H 1 0.881 0.009 . 1 . . . . . 39 T MG . 50410 1 432 . 1 . 1 39 39 THR C C 13 177.294 0.055 . 1 . . . . . 39 T C . 50410 1 433 . 1 . 1 39 39 THR CA C 13 66.697 0.062 . 1 . . . . . 39 T CA . 50410 1 434 . 1 . 1 39 39 THR CB C 13 68.676 0.089 . 1 . . . . . 39 T CB . 50410 1 435 . 1 . 1 39 39 THR CG2 C 13 24.369 0.050 . 1 . . . . . 39 T CG2 . 50410 1 436 . 1 . 1 39 39 THR N N 15 117.378 0.051 . 1 . . . . . 39 T N . 50410 1 437 . 1 . 1 40 40 ALA H H 1 8.068 0.004 . 1 . . . . . 40 A H . 50410 1 438 . 1 . 1 40 40 ALA HA H 1 4.000 0.014 . 1 . . . . . 40 A HA . 50410 1 439 . 1 . 1 40 40 ALA HB1 H 1 1.583 0.006 . 1 . . . . . 40 A MB . 50410 1 440 . 1 . 1 40 40 ALA HB2 H 1 1.583 0.006 . 1 . . . . . 40 A MB . 50410 1 441 . 1 . 1 40 40 ALA HB3 H 1 1.583 0.006 . 1 . . . . . 40 A MB . 50410 1 442 . 1 . 1 40 40 ALA C C 13 178.364 0.014 . 1 . . . . . 40 A C . 50410 1 443 . 1 . 1 40 40 ALA CA C 13 54.801 0.108 . 1 . . . . . 40 A CA . 50410 1 444 . 1 . 1 40 40 ALA CB C 13 19.498 0.070 . 1 . . . . . 40 A CB . 50410 1 445 . 1 . 1 40 40 ALA N N 15 120.671 0.063 . 1 . . . . . 40 A N . 50410 1 446 . 1 . 1 41 41 ALA H H 1 7.466 0.008 . 1 . . . . . 41 A H . 50410 1 447 . 1 . 1 41 41 ALA HA H 1 4.293 0.014 . 1 . . . . . 41 A HA . 50410 1 448 . 1 . 1 41 41 ALA HB1 H 1 1.550 0.008 . 1 . . . . . 41 A MB . 50410 1 449 . 1 . 1 41 41 ALA HB2 H 1 1.550 0.008 . 1 . . . . . 41 A MB . 50410 1 450 . 1 . 1 41 41 ALA HB3 H 1 1.550 0.008 . 1 . . . . . 41 A MB . 50410 1 451 . 1 . 1 41 41 ALA C C 13 178.235 0.025 . 1 . . . . . 41 A C . 50410 1 452 . 1 . 1 41 41 ALA CA C 13 53.111 0.094 . 1 . . . . . 41 A CA . 50410 1 453 . 1 . 1 41 41 ALA CB C 13 18.029 0.091 . 1 . . . . . 41 A CB . 50410 1 454 . 1 . 1 41 41 ALA N N 15 116.433 0.053 . 1 . . . . . 41 A N . 50410 1 455 . 1 . 1 42 42 LEU H H 1 7.620 0.007 . 1 . . . . . 42 L H . 50410 1 456 . 1 . 1 42 42 LEU HA H 1 4.265 0.009 . 1 . . . . . 42 L HA . 50410 1 457 . 1 . 1 42 42 LEU HB2 H 1 2.082 0.012 . 2 . . . . . 42 L HB2 . 50410 1 458 . 1 . 1 42 42 LEU HB3 H 1 1.424 0.017 . 2 . . . . . 42 L HB3 . 50410 1 459 . 1 . 1 42 42 LEU HG H 1 2.190 0.000 . 1 . . . . . 42 L HG . 50410 1 460 . 1 . 1 42 42 LEU HD11 H 1 1.048 0.007 . 2 . . . . . 42 L MD1 . 50410 1 461 . 1 . 1 42 42 LEU HD12 H 1 1.048 0.007 . 2 . . . . . 42 L MD1 . 50410 1 462 . 1 . 1 42 42 LEU HD13 H 1 1.048 0.007 . 2 . . . . . 42 L MD1 . 50410 1 463 . 1 . 1 42 42 LEU HD21 H 1 0.906 0.005 . 2 . . . . . 42 L MD2 . 50410 1 464 . 1 . 1 42 42 LEU HD22 H 1 0.906 0.005 . 2 . . . . . 42 L MD2 . 50410 1 465 . 1 . 1 42 42 LEU HD23 H 1 0.906 0.005 . 2 . . . . . 42 L MD2 . 50410 1 466 . 1 . 1 42 42 LEU C C 13 177.501 0.022 . 1 . . . . . 42 L C . 50410 1 467 . 1 . 1 42 42 LEU CA C 13 55.526 0.173 . 1 . . . . . 42 L CA . 50410 1 468 . 1 . 1 42 42 LEU CB C 13 42.268 0.038 . 1 . . . . . 42 L CB . 50410 1 469 . 1 . 1 42 42 LEU CG C 13 29.165 0.000 . 1 . . . . . 42 L CG . 50410 1 470 . 1 . 1 42 42 LEU CD1 C 13 26.192 0.079 . 2 . . . . . 42 L CD1 . 50410 1 471 . 1 . 1 42 42 LEU CD2 C 13 21.745 0.191 . 2 . . . . . 42 L CD2 . 50410 1 472 . 1 . 1 42 42 LEU N N 15 116.644 0.059 . 1 . . . . . 42 L N . 50410 1 473 . 1 . 1 43 43 PHE H H 1 8.037 0.012 . 1 . . . . . 43 F H . 50410 1 474 . 1 . 1 43 43 PHE HA H 1 4.827 0.010 . 1 . . . . . 43 F HA . 50410 1 475 . 1 . 1 43 43 PHE HB2 H 1 3.412 0.014 . 2 . . . . . 43 F HB2 . 50410 1 476 . 1 . 1 43 43 PHE HB3 H 1 2.951 0.012 . 2 . . . . . 43 F HB3 . 50410 1 477 . 1 . 1 43 43 PHE HD1 H 1 7.188 0.057 . 3 . . . . . 43 F HD1 . 50410 1 478 . 1 . 1 43 43 PHE HD2 H 1 7.188 0.057 . 3 . . . . . 43 F HD2 . 50410 1 479 . 1 . 1 43 43 PHE HE1 H 1 7.046 0.000 . 3 . . . . . 43 F HE1 . 50410 1 480 . 1 . 1 43 43 PHE HE2 H 1 7.046 0.000 . 3 . . . . . 43 F HE2 . 50410 1 481 . 1 . 1 43 43 PHE C C 13 175.828 0.018 . 1 . . . . . 43 F C . 50410 1 482 . 1 . 1 43 43 PHE CA C 13 57.466 0.100 . 1 . . . . . 43 F CA . 50410 1 483 . 1 . 1 43 43 PHE CB C 13 39.627 0.168 . 1 . . . . . 43 F CB . 50410 1 484 . 1 . 1 43 43 PHE N N 15 117.846 0.202 . 1 . . . . . 43 F N . 50410 1 485 . 1 . 1 44 44 ALA H H 1 7.822 0.009 . 1 . . . . . 44 A H . 50410 1 486 . 1 . 1 44 44 ALA HA H 1 4.220 0.007 . 1 . . . . . 44 A HA . 50410 1 487 . 1 . 1 44 44 ALA HB1 H 1 1.366 0.008 . 1 . . . . . 44 A MB . 50410 1 488 . 1 . 1 44 44 ALA HB2 H 1 1.366 0.008 . 1 . . . . . 44 A MB . 50410 1 489 . 1 . 1 44 44 ALA HB3 H 1 1.366 0.008 . 1 . . . . . 44 A MB . 50410 1 490 . 1 . 1 44 44 ALA C C 13 178.729 0.019 . 1 . . . . . 44 A C . 50410 1 491 . 1 . 1 44 44 ALA CA C 13 51.357 0.053 . 1 . . . . . 44 A CA . 50410 1 492 . 1 . 1 44 44 ALA CB C 13 20.230 0.130 . 1 . . . . . 44 A CB . 50410 1 493 . 1 . 1 44 44 ALA N N 15 120.132 0.065 . 1 . . . . . 44 A N . 50410 1 494 . 1 . 1 45 45 VAL H H 1 8.540 0.005 . 1 . . . . . 45 V H . 50410 1 495 . 1 . 1 45 45 VAL HA H 1 3.748 0.011 . 1 . . . . . 45 V HA . 50410 1 496 . 1 . 1 45 45 VAL HB H 1 2.148 0.012 . 1 . . . . . 45 V HB . 50410 1 497 . 1 . 1 45 45 VAL HG11 H 1 1.048 0.004 . 2 . . . . . 45 V MG1 . 50410 1 498 . 1 . 1 45 45 VAL HG12 H 1 1.048 0.004 . 2 . . . . . 45 V MG1 . 50410 1 499 . 1 . 1 45 45 VAL HG13 H 1 1.048 0.004 . 2 . . . . . 45 V MG1 . 50410 1 500 . 1 . 1 45 45 VAL HG21 H 1 1.022 0.009 . 2 . . . . . 45 V MG2 . 50410 1 501 . 1 . 1 45 45 VAL HG22 H 1 1.022 0.009 . 2 . . . . . 45 V MG2 . 50410 1 502 . 1 . 1 45 45 VAL HG23 H 1 1.022 0.009 . 2 . . . . . 45 V MG2 . 50410 1 503 . 1 . 1 45 45 VAL C C 13 175.020 0.020 . 1 . . . . . 45 V C . 50410 1 504 . 1 . 1 45 45 VAL CA C 13 65.435 0.102 . 1 . . . . . 45 V CA . 50410 1 505 . 1 . 1 45 45 VAL CB C 13 31.659 0.126 . 1 . . . . . 45 V CB . 50410 1 506 . 1 . 1 45 45 VAL CG1 C 13 20.983 0.130 . 2 . . . . . 45 V CG1 . 50410 1 507 . 1 . 1 45 45 VAL CG2 C 13 20.678 0.077 . 2 . . . . . 45 V CG2 . 50410 1 508 . 1 . 1 45 45 VAL N N 15 119.173 0.049 . 1 . . . . . 45 V N . 50410 1 509 . 1 . 1 46 46 ASP H H 1 8.132 0.008 . 1 . . . . . 46 D H . 50410 1 510 . 1 . 1 46 46 ASP HA H 1 4.589 0.011 . 1 . . . . . 46 D HA . 50410 1 511 . 1 . 1 46 46 ASP HB2 H 1 2.924 0.006 . 2 . . . . . 46 D HB2 . 50410 1 512 . 1 . 1 46 46 ASP HB3 H 1 2.493 0.027 . 2 . . . . . 46 D HB3 . 50410 1 513 . 1 . 1 46 46 ASP C C 13 176.267 0.000 . 1 . . . . . 46 D C . 50410 1 514 . 1 . 1 46 46 ASP CA C 13 51.539 0.041 . 1 . . . . . 46 D CA . 50410 1 515 . 1 . 1 46 46 ASP CB C 13 39.577 0.078 . 1 . . . . . 46 D CB . 50410 1 516 . 1 . 1 46 46 ASP N N 15 116.415 0.109 . 1 . . . . . 46 D N . 50410 1 517 . 1 . 1 47 47 GLY H H 1 8.166 0.014 . 1 . . . . . 47 G H . 50410 1 518 . 1 . 1 47 47 GLY HA2 H 1 4.596 0.025 . 1 . . . . . 47 G HA2 . 50410 1 519 . 1 . 1 47 47 GLY HA3 H 1 3.766 0.009 . 1 . . . . . 47 G HA3 . 50410 1 520 . 1 . 1 47 47 GLY C C 13 170.930 0.014 . 1 . . . . . 47 G C . 50410 1 521 . 1 . 1 47 47 GLY CA C 13 45.361 0.121 . 1 . . . . . 47 G CA . 50410 1 522 . 1 . 1 47 47 GLY N N 15 108.264 0.053 . 1 . . . . . 47 G N . 50410 1 523 . 1 . 1 48 48 VAL H H 1 7.583 0.011 . 1 . . . . . 48 V H . 50410 1 524 . 1 . 1 48 48 VAL HA H 1 4.947 0.010 . 1 . . . . . 48 V HA . 50410 1 525 . 1 . 1 48 48 VAL HB H 1 1.873 0.010 . 1 . . . . . 48 V HB . 50410 1 526 . 1 . 1 48 48 VAL HG11 H 1 0.702 0.007 . 2 . . . . . 48 V MG1 . 50410 1 527 . 1 . 1 48 48 VAL HG12 H 1 0.702 0.007 . 2 . . . . . 48 V MG1 . 50410 1 528 . 1 . 1 48 48 VAL HG13 H 1 0.702 0.007 . 2 . . . . . 48 V MG1 . 50410 1 529 . 1 . 1 48 48 VAL HG21 H 1 0.637 0.011 . 2 . . . . . 48 V MG2 . 50410 1 530 . 1 . 1 48 48 VAL HG22 H 1 0.637 0.011 . 2 . . . . . 48 V MG2 . 50410 1 531 . 1 . 1 48 48 VAL HG23 H 1 0.637 0.011 . 2 . . . . . 48 V MG2 . 50410 1 532 . 1 . 1 48 48 VAL C C 13 173.253 0.012 . 1 . . . . . 48 V C . 50410 1 533 . 1 . 1 48 48 VAL CA C 13 59.814 0.082 . 1 . . . . . 48 V CA . 50410 1 534 . 1 . 1 48 48 VAL CB C 13 35.633 0.083 . 1 . . . . . 48 V CB . 50410 1 535 . 1 . 1 48 48 VAL CG1 C 13 21.820 0.331 . 2 . . . . . 48 V CG1 . 50410 1 536 . 1 . 1 48 48 VAL CG2 C 13 21.385 0.230 . 2 . . . . . 48 V CG2 . 50410 1 537 . 1 . 1 48 48 VAL N N 15 119.294 0.052 . 1 . . . . . 48 V N . 50410 1 538 . 1 . 1 49 49 MET H H 1 8.502 0.007 . 1 . . . . . 49 M H . 50410 1 539 . 1 . 1 49 49 MET HA H 1 4.886 0.022 . 1 . . . . . 49 M HA . 50410 1 540 . 1 . 1 49 49 MET HB2 H 1 1.603 0.015 . 2 . . . . . 49 M HB2 . 50410 1 541 . 1 . 1 49 49 MET HB3 H 1 1.793 0.016 . 2 . . . . . 49 M HB3 . 50410 1 542 . 1 . 1 49 49 MET HG2 H 1 2.037 0.011 . 2 . . . . . 49 M HG2 . 50410 1 543 . 1 . 1 49 49 MET HG3 H 1 2.037 0.011 . 2 . . . . . 49 M HG3 . 50410 1 544 . 1 . 1 49 49 MET HE1 H 1 1.860 0.002 . 1 . . . . . 49 M ME . 50410 1 545 . 1 . 1 49 49 MET HE2 H 1 1.860 0.002 . 1 . . . . . 49 M ME . 50410 1 546 . 1 . 1 49 49 MET HE3 H 1 1.860 0.002 . 1 . . . . . 49 M ME . 50410 1 547 . 1 . 1 49 49 MET C C 13 173.892 0.012 . 1 . . . . . 49 M C . 50410 1 548 . 1 . 1 49 49 MET CA C 13 53.009 0.160 . 1 . . . . . 49 M CA . 50410 1 549 . 1 . 1 49 49 MET CB C 13 36.404 0.238 . 1 . . . . . 49 M CB . 50410 1 550 . 1 . 1 49 49 MET CG C 13 31.098 0.121 . 1 . . . . . 49 M CG . 50410 1 551 . 1 . 1 49 49 MET CE C 13 18.037 0.018 . 1 . . . . . 49 M CE . 50410 1 552 . 1 . 1 49 49 MET N N 15 125.390 0.051 . 1 . . . . . 49 M N . 50410 1 553 . 1 . 1 50 50 TYR H H 1 8.801 0.038 . 1 . . . . . 50 Y H . 50410 1 554 . 1 . 1 50 50 TYR HA H 1 4.693 0.005 . 1 . . . . . 50 Y HA . 50410 1 555 . 1 . 1 50 50 TYR HB2 H 1 2.877 0.000 . 2 . . . . . 50 Y HB2 . 50410 1 556 . 1 . 1 50 50 TYR HD1 H 1 6.922 0.005 . 3 . . . . . 50 Y HD1 . 50410 1 557 . 1 . 1 50 50 TYR HD2 H 1 6.922 0.005 . 3 . . . . . 50 Y HD2 . 50410 1 558 . 1 . 1 50 50 TYR HE1 H 1 6.732 0.002 . 3 . . . . . 50 Y HE1 . 50410 1 559 . 1 . 1 50 50 TYR HE2 H 1 6.732 0.002 . 3 . . . . . 50 Y HE2 . 50410 1 560 . 1 . 1 50 50 TYR CA C 13 53.149 0.131 . 1 . . . . . 50 Y CA . 50410 1 561 . 1 . 1 50 50 TYR CB C 13 38.376 0.049 . 1 . . . . . 50 Y CB . 50410 1 562 . 1 . 1 50 50 TYR N N 15 126.531 0.098 . 1 . . . . . 50 Y N . 50410 1 563 . 1 . 1 53 53 PHE H H 1 8.252 0.000 . 1 . . . . . 53 F H . 50410 1 564 . 1 . 1 53 53 PHE HD1 H 1 7.158 0.000 . 3 . . . . . 53 F HD1 . 50410 1 565 . 1 . 1 53 53 PHE HD2 H 1 7.158 0.000 . 3 . . . . . 53 F HD2 . 50410 1 566 . 1 . 1 53 53 PHE HE1 H 1 7.076 0.009 . 3 . . . . . 53 F HE1 . 50410 1 567 . 1 . 1 53 53 PHE HE2 H 1 7.076 0.009 . 3 . . . . . 53 F HE2 . 50410 1 568 . 1 . 1 53 53 PHE HZ H 1 7.374 0.000 . 1 . . . . . 53 F HZ . 50410 1 569 . 1 . 1 53 53 PHE C C 13 174.993 0.000 . 1 . . . . . 53 F C . 50410 1 570 . 1 . 1 53 53 PHE CA C 13 57.971 0.000 . 1 . . . . . 53 F CA . 50410 1 571 . 1 . 1 54 54 GLU H H 1 7.264 0.006 . 1 . . . . . 54 E H . 50410 1 572 . 1 . 1 54 54 GLU HA H 1 4.815 0.015 . 1 . . . . . 54 E HA . 50410 1 573 . 1 . 1 54 54 GLU HB2 H 1 2.396 0.023 . 2 . . . . . 54 E HB2 . 50410 1 574 . 1 . 1 54 54 GLU HB3 H 1 1.580 0.002 . 2 . . . . . 54 E HB3 . 50410 1 575 . 1 . 1 54 54 GLU HG2 H 1 2.208 0.014 . 2 . . . . . 54 E HG2 . 50410 1 576 . 1 . 1 54 54 GLU HG3 H 1 2.327 0.014 . 2 . . . . . 54 E HG3 . 50410 1 577 . 1 . 1 54 54 GLU C C 13 175.548 0.010 . 1 . . . . . 54 E C . 50410 1 578 . 1 . 1 54 54 GLU CA C 13 54.911 0.090 . 1 . . . . . 54 E CA . 50410 1 579 . 1 . 1 54 54 GLU CB C 13 33.793 0.080 . 1 . . . . . 54 E CB . 50410 1 580 . 1 . 1 54 54 GLU CG C 13 36.206 0.098 . 1 . . . . . 54 E CG . 50410 1 581 . 1 . 1 54 54 GLU N N 15 118.082 0.043 . 1 . . . . . 54 E N . 50410 1 582 . 1 . 1 55 55 SER H H 1 8.268 0.011 . 1 . . . . . 55 S H . 50410 1 583 . 1 . 1 55 55 SER HA H 1 4.480 0.011 . 1 . . . . . 55 S HA . 50410 1 584 . 1 . 1 55 55 SER HB2 H 1 3.958 0.008 . 2 . . . . . 55 S HB2 . 50410 1 585 . 1 . 1 55 55 SER HB3 H 1 3.876 0.016 . 2 . . . . . 55 S HB3 . 50410 1 586 . 1 . 1 55 55 SER C C 13 172.904 0.000 . 1 . . . . . 55 S C . 50410 1 587 . 1 . 1 55 55 SER CA C 13 58.380 0.104 . 1 . . . . . 55 S CA . 50410 1 588 . 1 . 1 55 55 SER CB C 13 63.855 0.078 . 1 . . . . . 55 S CB . 50410 1 589 . 1 . 1 55 55 SER N N 15 115.023 0.067 . 1 . . . . . 55 S N . 50410 1 590 . 1 . 1 56 56 GLY H H 1 7.985 0.007 . 1 . . . . . 56 G H . 50410 1 591 . 1 . 1 56 56 GLY HA2 H 1 3.313 0.013 . 1 . . . . . 56 G HA2 . 50410 1 592 . 1 . 1 56 56 GLY HA3 H 1 2.638 0.004 . 1 . . . . . 56 G HA3 . 50410 1 593 . 1 . 1 56 56 GLY C C 13 173.038 0.000 . 1 . . . . . 56 G C . 50410 1 594 . 1 . 1 56 56 GLY CA C 13 46.236 0.166 . 1 . . . . . 56 G CA . 50410 1 595 . 1 . 1 56 56 GLY N N 15 104.406 0.095 . 1 . . . . . 56 G N . 50410 1 596 . 1 . 1 57 57 ILE H H 1 8.502 0.021 . 1 . . . . . 57 I H . 50410 1 597 . 1 . 1 57 57 ILE HA H 1 4.011 0.012 . 1 . . . . . 57 I HA . 50410 1 598 . 1 . 1 57 57 ILE HB H 1 1.458 0.009 . 1 . . . . . 57 I HB . 50410 1 599 . 1 . 1 57 57 ILE HG12 H 1 0.981 0.015 . 2 . . . . . 57 I HG12 . 50410 1 600 . 1 . 1 57 57 ILE HG13 H 1 0.834 0.006 . 2 . . . . . 57 I HG13 . 50410 1 601 . 1 . 1 57 57 ILE HG21 H 1 0.582 0.015 . 1 . . . . . 57 I MG . 50410 1 602 . 1 . 1 57 57 ILE HG22 H 1 0.582 0.015 . 1 . . . . . 57 I MG . 50410 1 603 . 1 . 1 57 57 ILE HG23 H 1 0.582 0.015 . 1 . . . . . 57 I MG . 50410 1 604 . 1 . 1 57 57 ILE HD11 H 1 0.183 0.001 . 1 . . . . . 57 I MD . 50410 1 605 . 1 . 1 57 57 ILE HD12 H 1 0.183 0.001 . 1 . . . . . 57 I MD . 50410 1 606 . 1 . 1 57 57 ILE HD13 H 1 0.183 0.001 . 1 . . . . . 57 I MD . 50410 1 607 . 1 . 1 57 57 ILE C C 13 174.542 0.018 . 1 . . . . . 57 I C . 50410 1 608 . 1 . 1 57 57 ILE CA C 13 60.076 0.177 . 1 . . . . . 57 I CA . 50410 1 609 . 1 . 1 57 57 ILE CB C 13 38.782 0.082 . 1 . . . . . 57 I CB . 50410 1 610 . 1 . 1 57 57 ILE CG1 C 13 26.331 0.116 . 1 . . . . . 57 I CG1 . 50410 1 611 . 1 . 1 57 57 ILE CG2 C 13 18.922 0.075 . 1 . . . . . 57 I CG2 . 50410 1 612 . 1 . 1 57 57 ILE CD1 C 13 12.982 0.070 . 1 . . . . . 57 I CD1 . 50410 1 613 . 1 . 1 57 57 ILE N N 15 126.474 0.042 . 1 . . . . . 57 I N . 50410 1 614 . 1 . 1 58 58 VAL H H 1 8.157 0.006 . 1 . . . . . 58 V H . 50410 1 615 . 1 . 1 58 58 VAL HA H 1 4.395 0.010 . 1 . . . . . 58 V HA . 50410 1 616 . 1 . 1 58 58 VAL HB H 1 1.835 0.008 . 1 . . . . . 58 V HB . 50410 1 617 . 1 . 1 58 58 VAL HG11 H 1 0.784 0.018 . 2 . . . . . 58 V MG1 . 50410 1 618 . 1 . 1 58 58 VAL HG12 H 1 0.784 0.018 . 2 . . . . . 58 V MG1 . 50410 1 619 . 1 . 1 58 58 VAL HG13 H 1 0.784 0.018 . 2 . . . . . 58 V MG1 . 50410 1 620 . 1 . 1 58 58 VAL HG21 H 1 0.751 0.010 . 2 . . . . . 58 V MG2 . 50410 1 621 . 1 . 1 58 58 VAL HG22 H 1 0.751 0.010 . 2 . . . . . 58 V MG2 . 50410 1 622 . 1 . 1 58 58 VAL HG23 H 1 0.751 0.010 . 2 . . . . . 58 V MG2 . 50410 1 623 . 1 . 1 58 58 VAL C C 13 177.022 0.025 . 1 . . . . . 58 V C . 50410 1 624 . 1 . 1 58 58 VAL CA C 13 62.236 0.069 . 1 . . . . . 58 V CA . 50410 1 625 . 1 . 1 58 58 VAL CB C 13 33.070 0.116 . 1 . . . . . 58 V CB . 50410 1 626 . 1 . 1 58 58 VAL CG1 C 13 20.733 0.187 . 2 . . . . . 58 V CG1 . 50410 1 627 . 1 . 1 58 58 VAL CG2 C 13 20.866 0.238 . 2 . . . . . 58 V CG2 . 50410 1 628 . 1 . 1 58 58 VAL N N 15 125.534 0.074 . 1 . . . . . 58 V N . 50410 1 629 . 1 . 1 59 59 GLY H H 1 8.880 0.006 . 1 . . . . . 59 G H . 50410 1 630 . 1 . 1 59 59 GLY HA2 H 1 4.280 0.030 . 2 . . . . . 59 G HA2 . 50410 1 631 . 1 . 1 59 59 GLY HA3 H 1 4.066 0.003 . 2 . . . . . 59 G HA3 . 50410 1 632 . 1 . 1 59 59 GLY CA C 13 43.959 0.043 . 1 . . . . . 59 G CA . 50410 1 633 . 1 . 1 59 59 GLY N N 15 115.713 0.094 . 1 . . . . . 59 G N . 50410 1 634 . 1 . 1 60 60 PRO HA H 1 3.902 0.011 . 1 . . . . . 60 P HA . 50410 1 635 . 1 . 1 60 60 PRO HB2 H 1 2.268 0.010 . 2 . . . . . 60 P HB2 . 50410 1 636 . 1 . 1 60 60 PRO HB3 H 1 1.881 0.011 . 2 . . . . . 60 P HB3 . 50410 1 637 . 1 . 1 60 60 PRO HG2 H 1 2.061 0.007 . 2 . . . . . 60 P HG2 . 50410 1 638 . 1 . 1 60 60 PRO HG3 H 1 2.061 0.007 . 2 . . . . . 60 P HG3 . 50410 1 639 . 1 . 1 60 60 PRO HD2 H 1 3.935 0.011 . 2 . . . . . 60 P HD2 . 50410 1 640 . 1 . 1 60 60 PRO HD3 H 1 3.776 0.008 . 2 . . . . . 60 P HD3 . 50410 1 641 . 1 . 1 60 60 PRO C C 13 177.917 0.008 . 1 . . . . . 60 P C . 50410 1 642 . 1 . 1 60 60 PRO CA C 13 66.237 0.061 . 1 . . . . . 60 P CA . 50410 1 643 . 1 . 1 60 60 PRO CB C 13 32.660 0.096 . 1 . . . . . 60 P CB . 50410 1 644 . 1 . 1 60 60 PRO CG C 13 27.611 0.094 . 1 . . . . . 60 P CG . 50410 1 645 . 1 . 1 60 60 PRO CD C 13 51.018 0.102 . 1 . . . . . 60 P CD . 50410 1 646 . 1 . 1 61 61 ASP H H 1 8.245 0.007 . 1 . . . . . 61 D H . 50410 1 647 . 1 . 1 61 61 ASP HA H 1 4.267 0.008 . 1 . . . . . 61 D HA . 50410 1 648 . 1 . 1 61 61 ASP HB2 H 1 2.603 0.003 . 2 . . . . . 61 D HB2 . 50410 1 649 . 1 . 1 61 61 ASP HB3 H 1 2.536 0.013 . 2 . . . . . 61 D HB3 . 50410 1 650 . 1 . 1 61 61 ASP C C 13 178.813 0.028 . 1 . . . . . 61 D C . 50410 1 651 . 1 . 1 61 61 ASP CA C 13 57.996 0.057 . 1 . . . . . 61 D CA . 50410 1 652 . 1 . 1 61 61 ASP CB C 13 40.151 0.083 . 1 . . . . . 61 D CB . 50410 1 653 . 1 . 1 61 61 ASP N N 15 116.523 0.055 . 1 . . . . . 61 D N . 50410 1 654 . 1 . 1 62 62 ALA H H 1 8.377 0.007 . 1 . . . . . 62 A H . 50410 1 655 . 1 . 1 62 62 ALA HA H 1 4.096 0.010 . 1 . . . . . 62 A HA . 50410 1 656 . 1 . 1 62 62 ALA HB1 H 1 1.328 0.013 . 1 . . . . . 62 A MB . 50410 1 657 . 1 . 1 62 62 ALA HB2 H 1 1.328 0.013 . 1 . . . . . 62 A MB . 50410 1 658 . 1 . 1 62 62 ALA HB3 H 1 1.328 0.013 . 1 . . . . . 62 A MB . 50410 1 659 . 1 . 1 62 62 ALA C C 13 180.907 0.019 . 1 . . . . . 62 A C . 50410 1 660 . 1 . 1 62 62 ALA CA C 13 54.545 0.063 . 1 . . . . . 62 A CA . 50410 1 661 . 1 . 1 62 62 ALA CB C 13 18.461 0.199 . 1 . . . . . 62 A CB . 50410 1 662 . 1 . 1 62 62 ALA N N 15 123.761 0.082 . 1 . . . . . 62 A N . 50410 1 663 . 1 . 1 63 63 ILE H H 1 8.281 0.043 . 1 . . . . . 63 I H . 50410 1 664 . 1 . 1 63 63 ILE HA H 1 3.326 0.008 . 1 . . . . . 63 I HA . 50410 1 665 . 1 . 1 63 63 ILE HB H 1 1.375 0.010 . 1 . . . . . 63 I HB . 50410 1 666 . 1 . 1 63 63 ILE HG12 H 1 0.139 0.004 . 2 . . . . . 63 I HG12 . 50410 1 667 . 1 . 1 63 63 ILE HG13 H 1 1.436 0.001 . 2 . . . . . 63 I HG13 . 50410 1 668 . 1 . 1 63 63 ILE HG21 H 1 0.395 0.006 . 1 . . . . . 63 I MG . 50410 1 669 . 1 . 1 63 63 ILE HG22 H 1 0.395 0.006 . 1 . . . . . 63 I MG . 50410 1 670 . 1 . 1 63 63 ILE HG23 H 1 0.395 0.006 . 1 . . . . . 63 I MG . 50410 1 671 . 1 . 1 63 63 ILE HD11 H 1 -0.488 0.007 . 1 . . . . . 63 I MD . 50410 1 672 . 1 . 1 63 63 ILE HD12 H 1 -0.488 0.007 . 1 . . . . . 63 I MD . 50410 1 673 . 1 . 1 63 63 ILE HD13 H 1 -0.488 0.007 . 1 . . . . . 63 I MD . 50410 1 674 . 1 . 1 63 63 ILE C C 13 177.152 0.022 . 1 . . . . . 63 I C . 50410 1 675 . 1 . 1 63 63 ILE CA C 13 66.427 0.084 . 1 . . . . . 63 I CA . 50410 1 676 . 1 . 1 63 63 ILE CB C 13 38.455 0.108 . 1 . . . . . 63 I CB . 50410 1 677 . 1 . 1 63 63 ILE CG1 C 13 30.428 0.101 . 1 . . . . . 63 I CG1 . 50410 1 678 . 1 . 1 63 63 ILE CG2 C 13 15.833 0.049 . 1 . . . . . 63 I CG2 . 50410 1 679 . 1 . 1 63 63 ILE CD1 C 13 12.659 0.090 . 1 . . . . . 63 I CD1 . 50410 1 680 . 1 . 1 63 63 ILE N N 15 122.027 0.131 . 1 . . . . . 63 I N . 50410 1 681 . 1 . 1 64 64 ALA H H 1 8.523 0.013 . 1 . . . . . 64 A H . 50410 1 682 . 1 . 1 64 64 ALA HA H 1 3.723 0.013 . 1 . . . . . 64 A HA . 50410 1 683 . 1 . 1 64 64 ALA HB1 H 1 1.389 0.008 . 1 . . . . . 64 A MB . 50410 1 684 . 1 . 1 64 64 ALA HB2 H 1 1.389 0.008 . 1 . . . . . 64 A MB . 50410 1 685 . 1 . 1 64 64 ALA HB3 H 1 1.389 0.008 . 1 . . . . . 64 A MB . 50410 1 686 . 1 . 1 64 64 ALA C C 13 179.486 0.021 . 1 . . . . . 64 A C . 50410 1 687 . 1 . 1 64 64 ALA CA C 13 55.828 0.054 . 1 . . . . . 64 A CA . 50410 1 688 . 1 . 1 64 64 ALA CB C 13 17.639 0.146 . 1 . . . . . 64 A CB . 50410 1 689 . 1 . 1 64 64 ALA N N 15 121.660 0.146 . 1 . . . . . 64 A N . 50410 1 690 . 1 . 1 65 65 ALA H H 1 7.364 0.014 . 1 . . . . . 65 A H . 50410 1 691 . 1 . 1 65 65 ALA HA H 1 4.044 0.009 . 1 . . . . . 65 A HA . 50410 1 692 . 1 . 1 65 65 ALA HB1 H 1 1.438 0.009 . 1 . . . . . 65 A MB . 50410 1 693 . 1 . 1 65 65 ALA HB2 H 1 1.438 0.009 . 1 . . . . . 65 A MB . 50410 1 694 . 1 . 1 65 65 ALA HB3 H 1 1.438 0.009 . 1 . . . . . 65 A MB . 50410 1 695 . 1 . 1 65 65 ALA C C 13 179.954 0.016 . 1 . . . . . 65 A C . 50410 1 696 . 1 . 1 65 65 ALA CA C 13 54.939 0.082 . 1 . . . . . 65 A CA . 50410 1 697 . 1 . 1 65 65 ALA CB C 13 18.042 0.060 . 1 . . . . . 65 A CB . 50410 1 698 . 1 . 1 65 65 ALA N N 15 118.227 0.095 . 1 . . . . . 65 A N . 50410 1 699 . 1 . 1 66 66 TYR H H 1 7.979 0.014 . 1 . . . . . 66 Y H . 50410 1 700 . 1 . 1 66 66 TYR HA H 1 4.029 0.013 . 1 . . . . . 66 Y HA . 50410 1 701 . 1 . 1 66 66 TYR HB2 H 1 3.068 0.006 . 2 . . . . . 66 Y HB2 . 50410 1 702 . 1 . 1 66 66 TYR HB3 H 1 2.924 0.016 . 2 . . . . . 66 Y HB3 . 50410 1 703 . 1 . 1 66 66 TYR HD1 H 1 6.812 0.009 . 3 . . . . . 66 Y HD1 . 50410 1 704 . 1 . 1 66 66 TYR HD2 H 1 6.812 0.009 . 3 . . . . . 66 Y HD2 . 50410 1 705 . 1 . 1 66 66 TYR C C 13 177.296 0.027 . 1 . . . . . 66 Y C . 50410 1 706 . 1 . 1 66 66 TYR CA C 13 61.571 0.088 . 1 . . . . . 66 Y CA . 50410 1 707 . 1 . 1 66 66 TYR CB C 13 38.804 0.028 . 1 . . . . . 66 Y CB . 50410 1 708 . 1 . 1 66 66 TYR N N 15 119.844 0.067 . 1 . . . . . 66 Y N . 50410 1 709 . 1 . 1 67 67 LEU H H 1 8.445 0.007 . 1 . . . . . 67 L H . 50410 1 710 . 1 . 1 67 67 LEU HA H 1 3.335 0.006 . 1 . . . . . 67 L HA . 50410 1 711 . 1 . 1 67 67 LEU HB2 H 1 1.620 0.009 . 2 . . . . . 67 L HB2 . 50410 1 712 . 1 . 1 67 67 LEU HB3 H 1 1.620 0.009 . 2 . . . . . 67 L HB3 . 50410 1 713 . 1 . 1 67 67 LEU HG H 1 1.910 0.001 . 1 . . . . . 67 L HG . 50410 1 714 . 1 . 1 67 67 LEU HD11 H 1 0.350 0.017 . 2 . . . . . 67 L MD1 . 50410 1 715 . 1 . 1 67 67 LEU HD12 H 1 0.350 0.017 . 2 . . . . . 67 L MD1 . 50410 1 716 . 1 . 1 67 67 LEU HD13 H 1 0.350 0.017 . 2 . . . . . 67 L MD1 . 50410 1 717 . 1 . 1 67 67 LEU HD21 H 1 0.350 0.017 . 2 . . . . . 67 L MD2 . 50410 1 718 . 1 . 1 67 67 LEU HD22 H 1 0.350 0.017 . 2 . . . . . 67 L MD2 . 50410 1 719 . 1 . 1 67 67 LEU HD23 H 1 0.350 0.017 . 2 . . . . . 67 L MD2 . 50410 1 720 . 1 . 1 67 67 LEU C C 13 178.048 0.027 . 1 . . . . . 67 L C . 50410 1 721 . 1 . 1 67 67 LEU CA C 13 57.312 0.072 . 1 . . . . . 67 L CA . 50410 1 722 . 1 . 1 67 67 LEU CB C 13 40.609 0.087 . 1 . . . . . 67 L CB . 50410 1 723 . 1 . 1 67 67 LEU CD1 C 13 26.154 0.000 . 2 . . . . . 67 L CD1 . 50410 1 724 . 1 . 1 67 67 LEU CD2 C 13 26.154 0.000 . 2 . . . . . 67 L CD2 . 50410 1 725 . 1 . 1 67 67 LEU N N 15 119.199 0.211 . 1 . . . . . 67 L N . 50410 1 726 . 1 . 1 68 68 GLN H H 1 7.851 0.041 . 1 . . . . . 68 Q H . 50410 1 727 . 1 . 1 68 68 GLN HA H 1 3.793 0.031 . 1 . . . . . 68 Q HA . 50410 1 728 . 1 . 1 68 68 GLN HB2 H 1 2.074 0.000 . 2 . . . . . 68 Q HB2 . 50410 1 729 . 1 . 1 68 68 GLN HB3 H 1 2.074 0.000 . 2 . . . . . 68 Q HB3 . 50410 1 730 . 1 . 1 68 68 GLN HG2 H 1 2.525 0.008 . 2 . . . . . 68 Q HG2 . 50410 1 731 . 1 . 1 68 68 GLN HG3 H 1 2.525 0.008 . 2 . . . . . 68 Q HG3 . 50410 1 732 . 1 . 1 68 68 GLN HE21 H 1 7.899 0.002 . 2 . . . . . 68 Q HE21 . 50410 1 733 . 1 . 1 68 68 GLN HE22 H 1 6.937 0.002 . 2 . . . . . 68 Q HE22 . 50410 1 734 . 1 . 1 68 68 GLN C C 13 177.357 0.000 . 1 . . . . . 68 Q C . 50410 1 735 . 1 . 1 68 68 GLN CA C 13 58.351 0.023 . 1 . . . . . 68 Q CA . 50410 1 736 . 1 . 1 68 68 GLN CB C 13 28.180 0.195 . 1 . . . . . 68 Q CB . 50410 1 737 . 1 . 1 68 68 GLN CG C 13 33.764 0.104 . 1 . . . . . 68 Q CG . 50410 1 738 . 1 . 1 68 68 GLN N N 15 114.796 0.132 . 1 . . . . . 68 Q N . 50410 1 739 . 1 . 1 68 68 GLN NE2 N 15 112.146 0.027 . 1 . . . . . 68 Q NE2 . 50410 1 740 . 1 . 1 69 69 GLN H H 1 7.303 0.016 . 1 . . . . . 69 Q H . 50410 1 741 . 1 . 1 69 69 GLN HA H 1 4.132 0.031 . 1 . . . . . 69 Q HA . 50410 1 742 . 1 . 1 69 69 GLN HB2 H 1 2.043 0.021 . 2 . . . . . 69 Q HB2 . 50410 1 743 . 1 . 1 69 69 GLN HB3 H 1 2.043 0.021 . 2 . . . . . 69 Q HB3 . 50410 1 744 . 1 . 1 69 69 GLN HG2 H 1 2.319 0.011 . 2 . . . . . 69 Q HG2 . 50410 1 745 . 1 . 1 69 69 GLN HG3 H 1 2.319 0.011 . 2 . . . . . 69 Q HG3 . 50410 1 746 . 1 . 1 69 69 GLN C C 13 178.129 0.083 . 1 . . . . . 69 Q C . 50410 1 747 . 1 . 1 69 69 GLN CA C 13 57.489 0.193 . 1 . . . . . 69 Q CA . 50410 1 748 . 1 . 1 69 69 GLN CB C 13 29.776 0.246 . 1 . . . . . 69 Q CB . 50410 1 749 . 1 . 1 69 69 GLN CG C 13 36.361 0.142 . 1 . . . . . 69 Q CG . 50410 1 750 . 1 . 1 69 69 GLN N N 15 115.081 0.182 . 1 . . . . . 69 Q N . 50410 1 751 . 1 . 1 70 70 GLU H H 1 8.160 0.018 . 1 . . . . . 70 E H . 50410 1 752 . 1 . 1 70 70 GLU HA H 1 4.503 0.011 . 1 . . . . . 70 E HA . 50410 1 753 . 1 . 1 70 70 GLU HB2 H 1 1.941 0.001 . 2 . . . . . 70 E HB2 . 50410 1 754 . 1 . 1 70 70 GLU HB3 H 1 1.791 0.003 . 2 . . . . . 70 E HB3 . 50410 1 755 . 1 . 1 70 70 GLU C C 13 173.259 0.000 . 1 . . . . . 70 E C . 50410 1 756 . 1 . 1 70 70 GLU CA C 13 56.285 0.163 . 1 . . . . . 70 E CA . 50410 1 757 . 1 . 1 70 70 GLU CB C 13 30.701 0.000 . 1 . . . . . 70 E CB . 50410 1 758 . 1 . 1 70 70 GLU N N 15 114.542 0.172 . 1 . . . . . 70 E N . 50410 1 759 . 1 . 1 71 71 ALA H H 1 7.373 0.016 . 1 . . . . . 71 A H . 50410 1 760 . 1 . 1 71 71 ALA HA H 1 4.634 0.028 . 1 . . . . . 71 A HA . 50410 1 761 . 1 . 1 71 71 ALA HB1 H 1 1.317 0.009 . 1 . . . . . 71 A MB . 50410 1 762 . 1 . 1 71 71 ALA HB2 H 1 1.317 0.009 . 1 . . . . . 71 A MB . 50410 1 763 . 1 . 1 71 71 ALA HB3 H 1 1.317 0.009 . 1 . . . . . 71 A MB . 50410 1 764 . 1 . 1 71 71 ALA C C 13 175.850 0.000 . 1 . . . . . 71 A C . 50410 1 765 . 1 . 1 71 71 ALA CA C 13 50.665 0.195 . 1 . . . . . 71 A CA . 50410 1 766 . 1 . 1 71 71 ALA CB C 13 21.377 0.077 . 1 . . . . . 71 A CB . 50410 1 767 . 1 . 1 71 71 ALA N N 15 123.841 0.115 . 1 . . . . . 71 A N . 50410 1 768 . 1 . 1 72 72 GLN H H 1 8.836 0.002 . 1 . . . . . 72 Q H . 50410 1 769 . 1 . 1 72 72 GLN HA H 1 4.699 0.027 . 1 . . . . . 72 Q HA . 50410 1 770 . 1 . 1 72 72 GLN HB2 H 1 2.069 0.010 . 2 . . . . . 72 Q HB2 . 50410 1 771 . 1 . 1 72 72 GLN HB3 H 1 1.978 0.000 . 2 . . . . . 72 Q HB3 . 50410 1 772 . 1 . 1 72 72 GLN HG2 H 1 2.362 0.036 . 2 . . . . . 72 Q HG2 . 50410 1 773 . 1 . 1 72 72 GLN HG3 H 1 2.362 0.036 . 2 . . . . . 72 Q HG3 . 50410 1 774 . 1 . 1 72 72 GLN C C 13 179.028 0.000 . 1 . . . . . 72 Q C . 50410 1 775 . 1 . 1 72 72 GLN CA C 13 55.355 0.004 . 1 . . . . . 72 Q CA . 50410 1 776 . 1 . 1 72 72 GLN CB C 13 30.513 0.000 . 1 . . . . . 72 Q CB . 50410 1 777 . 1 . 1 72 72 GLN N N 15 118.136 0.027 . 1 . . . . . 72 Q N . 50410 1 778 . 1 . 1 73 73 GLY H H 1 8.443 0.014 . 1 . . . . . 73 G H . 50410 1 779 . 1 . 1 73 73 GLY HA2 H 1 4.259 0.030 . 2 . . . . . 73 G HA2 . 50410 1 780 . 1 . 1 73 73 GLY HA3 H 1 4.043 0.021 . 2 . . . . . 73 G HA3 . 50410 1 781 . 1 . 1 73 73 GLY CA C 13 43.829 0.093 . 1 . . . . . 73 G CA . 50410 1 782 . 1 . 1 73 73 GLY N N 15 115.964 0.070 . 1 . . . . . 73 G N . 50410 1 783 . 1 . 1 74 74 ILE H H 1 7.826 0.008 . 1 . . . . . 74 I H . 50410 1 784 . 1 . 1 74 74 ILE HA H 1 4.842 0.128 . 1 . . . . . 74 I HA . 50410 1 785 . 1 . 1 74 74 ILE HB H 1 2.078 0.094 . 1 . . . . . 74 I HB . 50410 1 786 . 1 . 1 74 74 ILE HG12 H 1 1.541 0.000 . 2 . . . . . 74 I HG12 . 50410 1 787 . 1 . 1 74 74 ILE HG13 H 1 1.922 0.000 . 2 . . . . . 74 I HG13 . 50410 1 788 . 1 . 1 74 74 ILE HG21 H 1 0.931 0.019 . 1 . . . . . 74 I MG . 50410 1 789 . 1 . 1 74 74 ILE HG22 H 1 0.931 0.019 . 1 . . . . . 74 I MG . 50410 1 790 . 1 . 1 74 74 ILE HG23 H 1 0.931 0.019 . 1 . . . . . 74 I MG . 50410 1 791 . 1 . 1 74 74 ILE HD11 H 1 0.898 0.016 . 1 . . . . . 74 I MD . 50410 1 792 . 1 . 1 74 74 ILE HD12 H 1 0.898 0.016 . 1 . . . . . 74 I MD . 50410 1 793 . 1 . 1 74 74 ILE HD13 H 1 0.898 0.016 . 1 . . . . . 74 I MD . 50410 1 794 . 1 . 1 74 74 ILE CA C 13 61.012 0.163 . 1 . . . . . 74 I CA . 50410 1 795 . 1 . 1 74 74 ILE CB C 13 38.727 0.087 . 1 . . . . . 74 I CB . 50410 1 796 . 1 . 1 74 74 ILE CG1 C 13 28.431 0.000 . 1 . . . . . 74 I CG1 . 50410 1 797 . 1 . 1 74 74 ILE CG2 C 13 17.700 0.137 . 1 . . . . . 74 I CG2 . 50410 1 798 . 1 . 1 74 74 ILE CD1 C 13 14.687 0.100 . 1 . . . . . 74 I CD1 . 50410 1 799 . 1 . 1 74 74 ILE N N 15 116.663 0.028 . 1 . . . . . 74 I N . 50410 1 800 . 1 . 1 75 75 LYS H H 1 7.154 0.004 . 1 . . . . . 75 K H . 50410 1 801 . 1 . 1 75 75 LYS HA H 1 4.687 0.003 . 1 . . . . . 75 K HA . 50410 1 802 . 1 . 1 75 75 LYS N N 15 116.515 0.024 . 1 . . . . . 75 K N . 50410 1 803 . 1 . 1 76 76 ALA HA H 1 5.156 0.023 . 1 . . . . . 76 A HA . 50410 1 804 . 1 . 1 76 76 ALA HB1 H 1 1.560 0.008 . 1 . . . . . 76 A MB . 50410 1 805 . 1 . 1 76 76 ALA HB2 H 1 1.560 0.008 . 1 . . . . . 76 A MB . 50410 1 806 . 1 . 1 76 76 ALA HB3 H 1 1.560 0.008 . 1 . . . . . 76 A MB . 50410 1 807 . 1 . 1 76 76 ALA CA C 13 51.120 0.120 . 1 . . . . . 76 A CA . 50410 1 808 . 1 . 1 76 76 ALA CB C 13 22.123 0.114 . 1 . . . . . 76 A CB . 50410 1 809 . 1 . 1 77 77 GLU H H 1 9.421 0.006 . 1 . . . . . 77 E H . 50410 1 810 . 1 . 1 77 77 GLU HA H 1 4.907 0.017 . 1 . . . . . 77 E HA . 50410 1 811 . 1 . 1 77 77 GLU HB2 H 1 2.057 0.012 . 2 . . . . . 77 E HB2 . 50410 1 812 . 1 . 1 77 77 GLU HB3 H 1 1.930 0.010 . 2 . . . . . 77 E HB3 . 50410 1 813 . 1 . 1 77 77 GLU CA C 13 52.877 0.039 . 1 . . . . . 77 E CA . 50410 1 814 . 1 . 1 77 77 GLU CB C 13 31.409 0.170 . 1 . . . . . 77 E CB . 50410 1 815 . 1 . 1 77 77 GLU CG C 13 36.349 0.000 . 1 . . . . . 77 E CG . 50410 1 816 . 1 . 1 77 77 GLU N N 15 123.304 0.029 . 1 . . . . . 77 E N . 50410 1 817 . 1 . 1 78 78 PRO HA H 1 4.141 0.010 . 1 . . . . . 78 P HA . 50410 1 818 . 1 . 1 78 78 PRO HB2 H 1 1.095 0.001 . 2 . . . . . 78 P HB2 . 50410 1 819 . 1 . 1 78 78 PRO HB3 H 1 0.498 0.033 . 2 . . . . . 78 P HB3 . 50410 1 820 . 1 . 1 78 78 PRO HG2 H 1 1.554 0.006 . 2 . . . . . 78 P HG2 . 50410 1 821 . 1 . 1 78 78 PRO HG3 H 1 0.464 0.001 . 2 . . . . . 78 P HG3 . 50410 1 822 . 1 . 1 78 78 PRO HD2 H 1 3.696 0.017 . 2 . . . . . 78 P HD2 . 50410 1 823 . 1 . 1 78 78 PRO HD3 H 1 2.864 0.013 . 2 . . . . . 78 P HD3 . 50410 1 824 . 1 . 1 78 78 PRO C C 13 175.638 0.000 . 1 . . . . . 78 P C . 50410 1 825 . 1 . 1 78 78 PRO CA C 13 62.634 0.026 . 1 . . . . . 78 P CA . 50410 1 826 . 1 . 1 78 78 PRO CB C 13 32.208 0.032 . 1 . . . . . 78 P CB . 50410 1 827 . 1 . 1 78 78 PRO CG C 13 26.023 0.085 . 1 . . . . . 78 P CG . 50410 1 828 . 1 . 1 78 78 PRO CD C 13 50.193 0.091 . 1 . . . . . 78 P CD . 50410 1 829 . 1 . 1 79 79 GLN H H 1 9.358 0.009 . 1 . . . . . 79 Q H . 50410 1 830 . 1 . 1 79 79 GLN HA H 1 4.548 0.013 . 1 . . . . . 79 Q HA . 50410 1 831 . 1 . 1 79 79 GLN HB2 H 1 2.123 0.009 . 2 . . . . . 79 Q HB2 . 50410 1 832 . 1 . 1 79 79 GLN HB3 H 1 2.123 0.009 . 2 . . . . . 79 Q HB3 . 50410 1 833 . 1 . 1 79 79 GLN HG2 H 1 2.484 0.010 . 2 . . . . . 79 Q HG2 . 50410 1 834 . 1 . 1 79 79 GLN HG3 H 1 2.372 0.014 . 2 . . . . . 79 Q HG3 . 50410 1 835 . 1 . 1 79 79 GLN C C 13 175.495 0.000 . 1 . . . . . 79 Q C . 50410 1 836 . 1 . 1 79 79 GLN CA C 13 57.337 0.030 . 1 . . . . . 79 Q CA . 50410 1 837 . 1 . 1 79 79 GLN CB C 13 30.977 0.138 . 1 . . . . . 79 Q CB . 50410 1 838 . 1 . 1 79 79 GLN CG C 13 34.032 0.093 . 1 . . . . . 79 Q CG . 50410 1 839 . 1 . 1 79 79 GLN N N 15 121.239 0.169 . 1 . . . . . 79 Q N . 50410 1 840 . 1 . 1 80 80 GLN H H 1 7.803 0.005 . 1 . . . . . 80 Q H . 50410 1 841 . 1 . 1 80 80 GLN HA H 1 5.103 0.015 . 1 . . . . . 80 Q HA . 50410 1 842 . 1 . 1 80 80 GLN HB2 H 1 2.219 0.013 . 2 . . . . . 80 Q HB2 . 50410 1 843 . 1 . 1 80 80 GLN HB3 H 1 2.091 0.015 . 2 . . . . . 80 Q HB3 . 50410 1 844 . 1 . 1 80 80 GLN C C 13 173.844 0.007 . 1 . . . . . 80 Q C . 50410 1 845 . 1 . 1 80 80 GLN CA C 13 54.887 0.064 . 1 . . . . . 80 Q CA . 50410 1 846 . 1 . 1 80 80 GLN CB C 13 31.519 0.022 . 1 . . . . . 80 Q CB . 50410 1 847 . 1 . 1 80 80 GLN CG C 13 32.880 0.000 . 1 . . . . . 80 Q CG . 50410 1 848 . 1 . 1 80 80 GLN N N 15 115.078 0.035 . 1 . . . . . 80 Q N . 50410 1 849 . 1 . 1 81 81 GLY H H 1 8.843 0.008 . 1 . . . . . 81 G H . 50410 1 850 . 1 . 1 81 81 GLY HA2 H 1 5.186 0.014 . 2 . . . . . 81 G HA2 . 50410 1 851 . 1 . 1 81 81 GLY HA3 H 1 3.841 0.008 . 2 . . . . . 81 G HA3 . 50410 1 852 . 1 . 1 81 81 GLY C C 13 170.870 0.000 . 1 . . . . . 81 G C . 50410 1 853 . 1 . 1 81 81 GLY CA C 13 46.291 0.115 . 1 . . . . . 81 G CA . 50410 1 854 . 1 . 1 81 81 GLY N N 15 109.325 0.090 . 1 . . . . . 81 G N . 50410 1 855 . 1 . 1 82 82 LEU H H 1 8.703 0.007 . 1 . . . . . 82 L H . 50410 1 856 . 1 . 1 82 82 LEU HA H 1 4.696 0.010 . 1 . . . . . 82 L HA . 50410 1 857 . 1 . 1 82 82 LEU HB2 H 1 1.684 0.014 . 2 . . . . . 82 L HB2 . 50410 1 858 . 1 . 1 82 82 LEU HB3 H 1 1.614 0.009 . 2 . . . . . 82 L HB3 . 50410 1 859 . 1 . 1 82 82 LEU HG H 1 1.563 0.007 . 1 . . . . . 82 L HG . 50410 1 860 . 1 . 1 82 82 LEU HD11 H 1 0.916 0.009 . 2 . . . . . 82 L MD1 . 50410 1 861 . 1 . 1 82 82 LEU HD12 H 1 0.916 0.009 . 2 . . . . . 82 L MD1 . 50410 1 862 . 1 . 1 82 82 LEU HD13 H 1 0.916 0.009 . 2 . . . . . 82 L MD1 . 50410 1 863 . 1 . 1 82 82 LEU HD21 H 1 0.885 0.011 . 2 . . . . . 82 L MD2 . 50410 1 864 . 1 . 1 82 82 LEU HD22 H 1 0.885 0.011 . 2 . . . . . 82 L MD2 . 50410 1 865 . 1 . 1 82 82 LEU HD23 H 1 0.885 0.011 . 2 . . . . . 82 L MD2 . 50410 1 866 . 1 . 1 82 82 LEU C C 13 174.572 0.017 . 1 . . . . . 82 L C . 50410 1 867 . 1 . 1 82 82 LEU CA C 13 54.884 0.084 . 1 . . . . . 82 L CA . 50410 1 868 . 1 . 1 82 82 LEU CB C 13 46.107 0.086 . 1 . . . . . 82 L CB . 50410 1 869 . 1 . 1 82 82 LEU CG C 13 27.094 0.059 . 1 . . . . . 82 L CG . 50410 1 870 . 1 . 1 82 82 LEU CD1 C 13 24.943 0.084 . 2 . . . . . 82 L CD1 . 50410 1 871 . 1 . 1 82 82 LEU CD2 C 13 24.718 0.000 . 2 . . . . . 82 L CD2 . 50410 1 872 . 1 . 1 82 82 LEU N N 15 119.388 0.038 . 1 . . . . . 82 L N . 50410 1 873 . 1 . 1 83 83 ALA H H 1 8.719 0.069 . 1 . . . . . 83 A H . 50410 1 874 . 1 . 1 83 83 ALA HA H 1 5.498 0.016 . 1 . . . . . 83 A HA . 50410 1 875 . 1 . 1 83 83 ALA HB1 H 1 1.325 0.009 . 1 . . . . . 83 A MB . 50410 1 876 . 1 . 1 83 83 ALA HB2 H 1 1.325 0.009 . 1 . . . . . 83 A MB . 50410 1 877 . 1 . 1 83 83 ALA HB3 H 1 1.325 0.009 . 1 . . . . . 83 A MB . 50410 1 878 . 1 . 1 83 83 ALA C C 13 176.144 0.021 . 1 . . . . . 83 A C . 50410 1 879 . 1 . 1 83 83 ALA CA C 13 50.666 0.117 . 1 . . . . . 83 A CA . 50410 1 880 . 1 . 1 83 83 ALA CB C 13 22.922 0.072 . 1 . . . . . 83 A CB . 50410 1 881 . 1 . 1 83 83 ALA N N 15 125.193 1.412 . 1 . . . . . 83 A N . 50410 1 882 . 1 . 1 84 84 GLU H H 1 8.921 0.010 . 1 . . . . . 84 E H . 50410 1 883 . 1 . 1 84 84 GLU HA H 1 4.752 0.018 . 1 . . . . . 84 E HA . 50410 1 884 . 1 . 1 84 84 GLU HB2 H 1 2.037 0.013 . 2 . . . . . 84 E HB2 . 50410 1 885 . 1 . 1 84 84 GLU HB3 H 1 1.965 0.010 . 2 . . . . . 84 E HB3 . 50410 1 886 . 1 . 1 84 84 GLU HG2 H 1 2.172 0.015 . 2 . . . . . 84 E HG2 . 50410 1 887 . 1 . 1 84 84 GLU HG3 H 1 2.172 0.015 . 2 . . . . . 84 E HG3 . 50410 1 888 . 1 . 1 84 84 GLU C C 13 174.964 0.000 . 1 . . . . . 84 E C . 50410 1 889 . 1 . 1 84 84 GLU CA C 13 55.260 0.112 . 1 . . . . . 84 E CA . 50410 1 890 . 1 . 1 84 84 GLU CB C 13 33.802 0.144 . 1 . . . . . 84 E CB . 50410 1 891 . 1 . 1 84 84 GLU CG C 13 36.293 0.055 . 1 . . . . . 84 E CG . 50410 1 892 . 1 . 1 84 84 GLU N N 15 120.677 0.048 . 1 . . . . . 84 E N . 50410 1 893 . 1 . 1 85 85 THR H H 1 8.887 0.005 . 1 . . . . . 85 T H . 50410 1 894 . 1 . 1 85 85 THR HA H 1 5.027 0.013 . 1 . . . . . 85 T HA . 50410 1 895 . 1 . 1 85 85 THR HB H 1 4.003 0.012 . 1 . . . . . 85 T HB . 50410 1 896 . 1 . 1 85 85 THR HG21 H 1 1.244 0.010 . 1 . . . . . 85 T MG . 50410 1 897 . 1 . 1 85 85 THR HG22 H 1 1.244 0.010 . 1 . . . . . 85 T MG . 50410 1 898 . 1 . 1 85 85 THR HG23 H 1 1.244 0.010 . 1 . . . . . 85 T MG . 50410 1 899 . 1 . 1 85 85 THR C C 13 174.416 0.008 . 1 . . . . . 85 T C . 50410 1 900 . 1 . 1 85 85 THR CA C 13 61.966 0.093 . 1 . . . . . 85 T CA . 50410 1 901 . 1 . 1 85 85 THR CB C 13 70.275 0.112 . 1 . . . . . 85 T CB . 50410 1 902 . 1 . 1 85 85 THR CG2 C 13 21.535 0.070 . 1 . . . . . 85 T CG2 . 50410 1 903 . 1 . 1 85 85 THR N N 15 120.968 0.103 . 1 . . . . . 85 T N . 50410 1 904 . 1 . 1 86 86 SER H H 1 8.882 0.011 . 1 . . . . . 86 S H . 50410 1 905 . 1 . 1 86 86 SER HA H 1 4.733 0.029 . 1 . . . . . 86 S HA . 50410 1 906 . 1 . 1 86 86 SER HB2 H 1 4.186 0.008 . 2 . . . . . 86 S HB2 . 50410 1 907 . 1 . 1 86 86 SER HB3 H 1 3.910 0.011 . 2 . . . . . 86 S HB3 . 50410 1 908 . 1 . 1 86 86 SER C C 13 176.452 0.036 . 1 . . . . . 86 S C . 50410 1 909 . 1 . 1 86 86 SER CA C 13 57.197 0.071 . 1 . . . . . 86 S CA . 50410 1 910 . 1 . 1 86 86 SER CB C 13 64.867 0.088 . 1 . . . . . 86 S CB . 50410 1 911 . 1 . 1 86 86 SER N N 15 121.375 0.088 . 1 . . . . . 86 S N . 50410 1 912 . 1 . 1 87 87 GLU H H 1 9.025 0.009 . 1 . . . . . 87 E H . 50410 1 913 . 1 . 1 87 87 GLU HA H 1 4.077 0.013 . 1 . . . . . 87 E HA . 50410 1 914 . 1 . 1 87 87 GLU HB2 H 1 2.047 0.012 . 2 . . . . . 87 E HB2 . 50410 1 915 . 1 . 1 87 87 GLU HB3 H 1 2.047 0.012 . 2 . . . . . 87 E HB3 . 50410 1 916 . 1 . 1 87 87 GLU HG2 H 1 2.310 0.013 . 2 . . . . . 87 E HG2 . 50410 1 917 . 1 . 1 87 87 GLU HG3 H 1 2.310 0.013 . 2 . . . . . 87 E HG3 . 50410 1 918 . 1 . 1 87 87 GLU C C 13 176.502 0.000 . 1 . . . . . 87 E C . 50410 1 919 . 1 . 1 87 87 GLU CA C 13 58.944 0.053 . 1 . . . . . 87 E CA . 50410 1 920 . 1 . 1 87 87 GLU CB C 13 29.478 0.077 . 1 . . . . . 87 E CB . 50410 1 921 . 1 . 1 87 87 GLU CG C 13 36.385 0.025 . 1 . . . . . 87 E CG . 50410 1 922 . 1 . 1 87 87 GLU N N 15 122.470 0.056 . 1 . . . . . 87 E N . 50410 1 923 . 1 . 1 88 88 ASP H H 1 8.019 0.008 . 1 . . . . . 88 D H . 50410 1 924 . 1 . 1 88 88 ASP HA H 1 4.435 0.012 . 1 . . . . . 88 D HA . 50410 1 925 . 1 . 1 88 88 ASP HB2 H 1 2.769 0.013 . 2 . . . . . 88 D HB2 . 50410 1 926 . 1 . 1 88 88 ASP HB3 H 1 2.573 0.007 . 2 . . . . . 88 D HB3 . 50410 1 927 . 1 . 1 88 88 ASP C C 13 176.750 0.014 . 1 . . . . . 88 D C . 50410 1 928 . 1 . 1 88 88 ASP CA C 13 53.598 0.096 . 1 . . . . . 88 D CA . 50410 1 929 . 1 . 1 88 88 ASP CB C 13 39.997 0.057 . 1 . . . . . 88 D CB . 50410 1 930 . 1 . 1 88 88 ASP N N 15 116.506 0.044 . 1 . . . . . 88 D N . 50410 1 931 . 1 . 1 89 89 GLY H H 1 8.068 0.005 . 1 . . . . . 89 G H . 50410 1 932 . 1 . 1 89 89 GLY HA2 H 1 4.207 0.009 . 2 . . . . . 89 G HA2 . 50410 1 933 . 1 . 1 89 89 GLY HA3 H 1 3.615 0.009 . 2 . . . . . 89 G HA3 . 50410 1 934 . 1 . 1 89 89 GLY C C 13 174.986 0.019 . 1 . . . . . 89 G C . 50410 1 935 . 1 . 1 89 89 GLY CA C 13 45.377 0.111 . 1 . . . . . 89 G CA . 50410 1 936 . 1 . 1 89 89 GLY N N 15 106.746 0.057 . 1 . . . . . 89 G N . 50410 1 937 . 1 . 1 90 90 HIS H H 1 7.897 0.011 . 1 . . . . . 90 H H . 50410 1 938 . 1 . 1 90 90 HIS HA H 1 4.863 0.020 . 1 . . . . . 90 H HA . 50410 1 939 . 1 . 1 90 90 HIS HB2 H 1 3.176 0.023 . 2 . . . . . 90 H HB2 . 50410 1 940 . 1 . 1 90 90 HIS HB3 H 1 3.007 0.017 . 2 . . . . . 90 H HB3 . 50410 1 941 . 1 . 1 90 90 HIS HD2 H 1 6.631 0.022 . 1 . . . . . 90 H HD2 . 50410 1 942 . 1 . 1 90 90 HIS HE1 H 1 8.103 0.274 . 1 . . . . . 90 H HE1 . 50410 1 943 . 1 . 1 90 90 HIS C C 13 174.546 0.011 . 1 . . . . . 90 H C . 50410 1 944 . 1 . 1 90 90 HIS CA C 13 55.870 0.064 . 1 . . . . . 90 H CA . 50410 1 945 . 1 . 1 90 90 HIS CB C 13 30.450 0.097 . 1 . . . . . 90 H CB . 50410 1 946 . 1 . 1 90 90 HIS N N 15 119.678 0.245 . 1 . . . . . 90 H N . 50410 1 947 . 1 . 1 91 91 THR H H 1 8.518 0.020 . 1 . . . . . 91 T H . 50410 1 948 . 1 . 1 91 91 THR HA H 1 5.002 0.018 . 1 . . . . . 91 T HA . 50410 1 949 . 1 . 1 91 91 THR HB H 1 3.708 0.011 . 1 . . . . . 91 T HB . 50410 1 950 . 1 . 1 91 91 THR HG21 H 1 1.046 0.008 . 1 . . . . . 91 T MG . 50410 1 951 . 1 . 1 91 91 THR HG22 H 1 1.046 0.008 . 1 . . . . . 91 T MG . 50410 1 952 . 1 . 1 91 91 THR HG23 H 1 1.046 0.008 . 1 . . . . . 91 T MG . 50410 1 953 . 1 . 1 91 91 THR C C 13 173.267 0.043 . 1 . . . . . 91 T C . 50410 1 954 . 1 . 1 91 91 THR CA C 13 62.562 0.118 . 1 . . . . . 91 T CA . 50410 1 955 . 1 . 1 91 91 THR CB C 13 70.856 0.112 . 1 . . . . . 91 T CB . 50410 1 956 . 1 . 1 91 91 THR CG2 C 13 20.955 0.116 . 1 . . . . . 91 T CG2 . 50410 1 957 . 1 . 1 91 91 THR N N 15 117.184 0.064 . 1 . . . . . 91 T N . 50410 1 958 . 1 . 1 92 92 GLN H H 1 9.235 0.006 . 1 . . . . . 92 Q H . 50410 1 959 . 1 . 1 92 92 GLN HA H 1 5.377 0.010 . 1 . . . . . 92 Q HA . 50410 1 960 . 1 . 1 92 92 GLN HB2 H 1 2.192 0.013 . 2 . . . . . 92 Q HB2 . 50410 1 961 . 1 . 1 92 92 GLN HB3 H 1 2.065 0.012 . 2 . . . . . 92 Q HB3 . 50410 1 962 . 1 . 1 92 92 GLN HG2 H 1 2.442 0.008 . 2 . . . . . 92 Q HG2 . 50410 1 963 . 1 . 1 92 92 GLN HG3 H 1 2.350 0.000 . 2 . . . . . 92 Q HG3 . 50410 1 964 . 1 . 1 92 92 GLN HE21 H 1 7.438 0.000 . 2 . . . . . 92 Q HE21 . 50410 1 965 . 1 . 1 92 92 GLN HE22 H 1 6.718 0.000 . 2 . . . . . 92 Q HE22 . 50410 1 966 . 1 . 1 92 92 GLN C C 13 175.511 0.010 . 1 . . . . . 92 Q C . 50410 1 967 . 1 . 1 92 92 GLN CA C 13 54.398 0.130 . 1 . . . . . 92 Q CA . 50410 1 968 . 1 . 1 92 92 GLN CB C 13 30.005 0.221 . 1 . . . . . 92 Q CB . 50410 1 969 . 1 . 1 92 92 GLN CG C 13 33.381 0.095 . 1 . . . . . 92 Q CG . 50410 1 970 . 1 . 1 92 92 GLN N N 15 127.461 0.108 . 1 . . . . . 92 Q N . 50410 1 971 . 1 . 1 93 93 VAL H H 1 9.434 0.005 . 1 . . . . . 93 V H . 50410 1 972 . 1 . 1 93 93 VAL HA H 1 5.192 0.011 . 1 . . . . . 93 V HA . 50410 1 973 . 1 . 1 93 93 VAL HB H 1 2.021 0.010 . 1 . . . . . 93 V HB . 50410 1 974 . 1 . 1 93 93 VAL HG11 H 1 0.977 0.007 . 2 . . . . . 93 V MG1 . 50410 1 975 . 1 . 1 93 93 VAL HG12 H 1 0.977 0.007 . 2 . . . . . 93 V MG1 . 50410 1 976 . 1 . 1 93 93 VAL HG13 H 1 0.977 0.007 . 2 . . . . . 93 V MG1 . 50410 1 977 . 1 . 1 93 93 VAL HG21 H 1 0.806 0.010 . 2 . . . . . 93 V MG2 . 50410 1 978 . 1 . 1 93 93 VAL HG22 H 1 0.806 0.010 . 2 . . . . . 93 V MG2 . 50410 1 979 . 1 . 1 93 93 VAL HG23 H 1 0.806 0.010 . 2 . . . . . 93 V MG2 . 50410 1 980 . 1 . 1 93 93 VAL C C 13 174.846 0.001 . 1 . . . . . 93 V C . 50410 1 981 . 1 . 1 93 93 VAL CA C 13 60.591 0.098 . 1 . . . . . 93 V CA . 50410 1 982 . 1 . 1 93 93 VAL CB C 13 35.462 0.109 . 1 . . . . . 93 V CB . 50410 1 983 . 1 . 1 93 93 VAL CG1 C 13 22.575 0.194 . 2 . . . . . 93 V CG1 . 50410 1 984 . 1 . 1 93 93 VAL CG2 C 13 21.049 0.099 . 2 . . . . . 93 V CG2 . 50410 1 985 . 1 . 1 93 93 VAL N N 15 124.410 0.068 . 1 . . . . . 93 V N . 50410 1 986 . 1 . 1 94 94 GLN H H 1 9.011 0.015 . 1 . . . . . 94 Q H . 50410 1 987 . 1 . 1 94 94 GLN HA H 1 5.709 0.011 . 1 . . . . . 94 Q HA . 50410 1 988 . 1 . 1 94 94 GLN HB2 H 1 2.125 0.015 . 2 . . . . . 94 Q HB2 . 50410 1 989 . 1 . 1 94 94 GLN HB3 H 1 2.091 0.008 . 2 . . . . . 94 Q HB3 . 50410 1 990 . 1 . 1 94 94 GLN HG2 H 1 2.445 0.002 . 2 . . . . . 94 Q HG2 . 50410 1 991 . 1 . 1 94 94 GLN HG3 H 1 2.375 0.022 . 2 . . . . . 94 Q HG3 . 50410 1 992 . 1 . 1 94 94 GLN HE21 H 1 7.469 0.004 . 2 . . . . . 94 Q HE21 . 50410 1 993 . 1 . 1 94 94 GLN HE22 H 1 6.720 0.005 . 2 . . . . . 94 Q HE22 . 50410 1 994 . 1 . 1 94 94 GLN C C 13 175.079 0.071 . 1 . . . . . 94 Q C . 50410 1 995 . 1 . 1 94 94 GLN CA C 13 54.419 0.157 . 1 . . . . . 94 Q CA . 50410 1 996 . 1 . 1 94 94 GLN CB C 13 32.174 0.088 . 1 . . . . . 94 Q CB . 50410 1 997 . 1 . 1 94 94 GLN CG C 13 34.177 0.100 . 1 . . . . . 94 Q CG . 50410 1 998 . 1 . 1 94 94 GLN N N 15 126.594 0.059 . 1 . . . . . 94 Q N . 50410 1 999 . 1 . 1 94 94 GLN NE2 N 15 110.884 0.029 . 1 . . . . . 94 Q NE2 . 50410 1 1000 . 1 . 1 95 95 VAL H H 1 9.778 0.005 . 1 . . . . . 95 V H . 50410 1 1001 . 1 . 1 95 95 VAL HA H 1 5.180 0.012 . 1 . . . . . 95 V HA . 50410 1 1002 . 1 . 1 95 95 VAL HB H 1 2.505 0.006 . 1 . . . . . 95 V HB . 50410 1 1003 . 1 . 1 95 95 VAL HG11 H 1 1.068 0.010 . 2 . . . . . 95 V MG1 . 50410 1 1004 . 1 . 1 95 95 VAL HG12 H 1 1.068 0.010 . 2 . . . . . 95 V MG1 . 50410 1 1005 . 1 . 1 95 95 VAL HG13 H 1 1.068 0.010 . 2 . . . . . 95 V MG1 . 50410 1 1006 . 1 . 1 95 95 VAL HG21 H 1 0.893 0.023 . 2 . . . . . 95 V MG2 . 50410 1 1007 . 1 . 1 95 95 VAL HG22 H 1 0.893 0.023 . 2 . . . . . 95 V MG2 . 50410 1 1008 . 1 . 1 95 95 VAL HG23 H 1 0.893 0.023 . 2 . . . . . 95 V MG2 . 50410 1 1009 . 1 . 1 95 95 VAL C C 13 174.181 0.000 . 1 . . . . . 95 V C . 50410 1 1010 . 1 . 1 95 95 VAL CA C 13 60.986 0.133 . 1 . . . . . 95 V CA . 50410 1 1011 . 1 . 1 95 95 VAL CB C 13 36.245 0.066 . 1 . . . . . 95 V CB . 50410 1 1012 . 1 . 1 95 95 VAL CG1 C 13 22.642 0.082 . 2 . . . . . 95 V CG1 . 50410 1 1013 . 1 . 1 95 95 VAL CG2 C 13 22.438 0.144 . 2 . . . . . 95 V CG2 . 50410 1 1014 . 1 . 1 95 95 VAL N N 15 123.882 0.165 . 1 . . . . . 95 V N . 50410 1 1015 . 1 . 1 96 96 SER H H 1 9.512 0.024 . 1 . . . . . 96 S H . 50410 1 1016 . 1 . 1 96 96 SER HA H 1 5.719 0.014 . 1 . . . . . 96 S HA . 50410 1 1017 . 1 . 1 96 96 SER HB2 H 1 4.071 0.012 . 2 . . . . . 96 S HB2 . 50410 1 1018 . 1 . 1 96 96 SER HB3 H 1 3.924 0.013 . 2 . . . . . 96 S HB3 . 50410 1 1019 . 1 . 1 96 96 SER C C 13 175.165 0.000 . 1 . . . . . 96 S C . 50410 1 1020 . 1 . 1 96 96 SER CA C 13 56.609 0.144 . 1 . . . . . 96 S CA . 50410 1 1021 . 1 . 1 96 96 SER CB C 13 65.835 0.084 . 1 . . . . . 96 S CB . 50410 1 1022 . 1 . 1 96 96 SER N N 15 122.172 0.069 . 1 . . . . . 96 S N . 50410 1 1023 . 1 . 1 97 97 GLY H H 1 8.845 0.009 . 1 . . . . . 97 G H . 50410 1 1024 . 1 . 1 97 97 GLY HA2 H 1 4.809 0.025 . 2 . . . . . 97 G HA2 . 50410 1 1025 . 1 . 1 97 97 GLY HA3 H 1 4.361 0.014 . 2 . . . . . 97 G HA3 . 50410 1 1026 . 1 . 1 97 97 GLY C C 13 170.851 0.000 . 1 . . . . . 97 G C . 50410 1 1027 . 1 . 1 97 97 GLY CA C 13 46.827 0.066 . 1 . . . . . 97 G CA . 50410 1 1028 . 1 . 1 97 97 GLY N N 15 110.754 0.136 . 1 . . . . . 97 G N . 50410 1 1029 . 1 . 1 98 98 LYS H H 1 8.259 0.008 . 1 . . . . . 98 K H . 50410 1 1030 . 1 . 1 98 98 LYS HA H 1 5.384 0.016 . 1 . . . . . 98 K HA . 50410 1 1031 . 1 . 1 98 98 LYS HB2 H 1 1.859 0.025 . 2 . . . . . 98 K HB2 . 50410 1 1032 . 1 . 1 98 98 LYS HB3 H 1 1.768 0.014 . 2 . . . . . 98 K HB3 . 50410 1 1033 . 1 . 1 98 98 LYS HG2 H 1 1.477 0.000 . 2 . . . . . 98 K HG2 . 50410 1 1034 . 1 . 1 98 98 LYS HG3 H 1 1.410 0.000 . 2 . . . . . 98 K HG3 . 50410 1 1035 . 1 . 1 98 98 LYS HE2 H 1 2.875 0.002 . 2 . . . . . 98 K HE2 . 50410 1 1036 . 1 . 1 98 98 LYS HE3 H 1 2.875 0.002 . 2 . . . . . 98 K HE3 . 50410 1 1037 . 1 . 1 98 98 LYS C C 13 176.239 0.000 . 1 . . . . . 98 K C . 50410 1 1038 . 1 . 1 98 98 LYS CA C 13 54.598 0.175 . 1 . . . . . 98 K CA . 50410 1 1039 . 1 . 1 98 98 LYS CB C 13 36.709 0.048 . 1 . . . . . 98 K CB . 50410 1 1040 . 1 . 1 98 98 LYS CG C 13 24.739 0.056 . 1 . . . . . 98 K CG . 50410 1 1041 . 1 . 1 98 98 LYS CD C 13 29.201 0.067 . 1 . . . . . 98 K CD . 50410 1 1042 . 1 . 1 98 98 LYS CE C 13 41.830 0.027 . 1 . . . . . 98 K CE . 50410 1 1043 . 1 . 1 98 98 LYS N N 15 122.006 0.092 . 1 . . . . . 98 K N . 50410 1 1044 . 1 . 1 99 99 ALA H H 1 9.090 0.007 . 1 . . . . . 99 A H . 50410 1 1045 . 1 . 1 99 99 ALA HA H 1 5.364 0.015 . 1 . . . . . 99 A HA . 50410 1 1046 . 1 . 1 99 99 ALA HB1 H 1 1.311 0.016 . 1 . . . . . 99 A MB . 50410 1 1047 . 1 . 1 99 99 ALA HB2 H 1 1.311 0.016 . 1 . . . . . 99 A MB . 50410 1 1048 . 1 . 1 99 99 ALA HB3 H 1 1.311 0.016 . 1 . . . . . 99 A MB . 50410 1 1049 . 1 . 1 99 99 ALA CA C 13 51.119 0.263 . 1 . . . . . 99 A CA . 50410 1 1050 . 1 . 1 99 99 ALA CB C 13 21.277 0.057 . 1 . . . . . 99 A CB . 50410 1 1051 . 1 . 1 99 99 ALA N N 15 123.284 0.324 . 1 . . . . . 99 A N . 50410 1 1052 . 1 . 1 100 100 GLN H H 1 9.017 0.005 . 1 . . . . . 100 Q H . 50410 1 1053 . 1 . 1 100 100 GLN HA H 1 5.135 0.011 . 1 . . . . . 100 Q HA . 50410 1 1054 . 1 . 1 100 100 GLN HB2 H 1 2.144 0.007 . 2 . . . . . 100 Q HB2 . 50410 1 1055 . 1 . 1 100 100 GLN HB3 H 1 2.015 0.015 . 2 . . . . . 100 Q HB3 . 50410 1 1056 . 1 . 1 100 100 GLN HG2 H 1 2.314 0.005 . 2 . . . . . 100 Q HG2 . 50410 1 1057 . 1 . 1 100 100 GLN HG3 H 1 2.314 0.005 . 2 . . . . . 100 Q HG3 . 50410 1 1058 . 1 . 1 100 100 GLN HE21 H 1 7.451 0.000 . 2 . . . . . 100 Q HE21 . 50410 1 1059 . 1 . 1 100 100 GLN HE22 H 1 6.688 0.002 . 2 . . . . . 100 Q HE22 . 50410 1 1060 . 1 . 1 100 100 GLN CA C 13 54.882 0.013 . 1 . . . . . 100 Q CA . 50410 1 1061 . 1 . 1 100 100 GLN CB C 13 31.360 0.079 . 1 . . . . . 100 Q CB . 50410 1 1062 . 1 . 1 100 100 GLN CG C 13 33.103 0.000 . 1 . . . . . 100 Q CG . 50410 1 1063 . 1 . 1 100 100 GLN N N 15 120.097 0.015 . 1 . . . . . 100 Q N . 50410 1 1064 . 1 . 1 100 100 GLN NE2 N 15 111.316 0.028 . 1 . . . . . 100 Q NE2 . 50410 1 1065 . 1 . 1 101 101 THR H H 1 8.606 0.003 . 1 . . . . . 101 T H . 50410 1 1066 . 1 . 1 101 101 THR HA H 1 4.648 0.030 . 1 . . . . . 101 T HA . 50410 1 1067 . 1 . 1 101 101 THR HB H 1 3.917 0.008 . 1 . . . . . 101 T HB . 50410 1 1068 . 1 . 1 101 101 THR HG21 H 1 0.879 0.000 . 1 . . . . . 101 T MG . 50410 1 1069 . 1 . 1 101 101 THR HG22 H 1 0.879 0.000 . 1 . . . . . 101 T MG . 50410 1 1070 . 1 . 1 101 101 THR HG23 H 1 0.879 0.000 . 1 . . . . . 101 T MG . 50410 1 1071 . 1 . 1 101 101 THR CA C 13 62.048 0.120 . 1 . . . . . 101 T CA . 50410 1 1072 . 1 . 1 101 101 THR CB C 13 70.404 0.098 . 1 . . . . . 101 T CB . 50410 1 1073 . 1 . 1 101 101 THR CG2 C 13 20.721 0.000 . 1 . . . . . 101 T CG2 . 50410 1 1074 . 1 . 1 101 101 THR N N 15 114.943 0.001 . 1 . . . . . 101 T N . 50410 1 1075 . 1 . 1 105 105 GLY HA2 H 1 4.956 0.000 . 2 . . . . . 105 G HA2 . 50410 1 1076 . 1 . 1 105 105 GLY HA3 H 1 3.632 0.000 . 2 . . . . . 105 G HA3 . 50410 1 1077 . 1 . 1 106 106 VAL H H 1 8.582 0.004 . 1 . . . . . 106 V H . 50410 1 1078 . 1 . 1 106 106 VAL HA H 1 4.571 0.022 . 1 . . . . . 106 V HA . 50410 1 1079 . 1 . 1 106 106 VAL HB H 1 2.030 0.009 . 1 . . . . . 106 V HB . 50410 1 1080 . 1 . 1 106 106 VAL HG11 H 1 0.802 0.009 . 2 . . . . . 106 V MG1 . 50410 1 1081 . 1 . 1 106 106 VAL HG12 H 1 0.802 0.009 . 2 . . . . . 106 V MG1 . 50410 1 1082 . 1 . 1 106 106 VAL HG13 H 1 0.802 0.009 . 2 . . . . . 106 V MG1 . 50410 1 1083 . 1 . 1 106 106 VAL HG21 H 1 0.802 0.009 . 2 . . . . . 106 V MG2 . 50410 1 1084 . 1 . 1 106 106 VAL HG22 H 1 0.802 0.009 . 2 . . . . . 106 V MG2 . 50410 1 1085 . 1 . 1 106 106 VAL HG23 H 1 0.802 0.009 . 2 . . . . . 106 V MG2 . 50410 1 1086 . 1 . 1 106 106 VAL CA C 13 59.962 0.030 . 1 . . . . . 106 V CA . 50410 1 1087 . 1 . 1 106 106 VAL CB C 13 35.572 0.179 . 1 . . . . . 106 V CB . 50410 1 1088 . 1 . 1 106 106 VAL CG1 C 13 21.268 0.088 . 2 . . . . . 106 V CG1 . 50410 1 1089 . 1 . 1 106 106 VAL CG2 C 13 21.268 0.088 . 2 . . . . . 106 V CG2 . 50410 1 1090 . 1 . 1 106 106 VAL N N 15 117.581 0.029 . 1 . . . . . 106 V N . 50410 1 1091 . 1 . 1 107 107 ASN H H 1 8.706 0.005 . 1 . . . . . 107 N H . 50410 1 1092 . 1 . 1 107 107 ASN HA H 1 5.156 0.019 . 1 . . . . . 107 N HA . 50410 1 1093 . 1 . 1 107 107 ASN HB2 H 1 2.888 0.017 . 2 . . . . . 107 N HB2 . 50410 1 1094 . 1 . 1 107 107 ASN HB3 H 1 2.792 0.027 . 2 . . . . . 107 N HB3 . 50410 1 1095 . 1 . 1 107 107 ASN HD21 H 1 7.628 0.001 . 2 . . . . . 107 N HD21 . 50410 1 1096 . 1 . 1 107 107 ASN HD22 H 1 6.914 0.004 . 2 . . . . . 107 N HD22 . 50410 1 1097 . 1 . 1 107 107 ASN CA C 13 53.622 0.087 . 1 . . . . . 107 N CA . 50410 1 1098 . 1 . 1 107 107 ASN CB C 13 38.635 0.203 . 1 . . . . . 107 N CB . 50410 1 1099 . 1 . 1 107 107 ASN N N 15 123.315 0.002 . 1 . . . . . 107 N N . 50410 1 1100 . 1 . 1 107 107 ASN ND2 N 15 113.120 0.000 . 1 . . . . . 107 N ND2 . 50410 1 1101 . 1 . 1 108 108 VAL H H 1 8.502 0.011 . 1 . . . . . 108 V H . 50410 1 1102 . 1 . 1 108 108 VAL HA H 1 4.541 0.024 . 1 . . . . . 108 V HA . 50410 1 1103 . 1 . 1 108 108 VAL HB H 1 0.970 0.005 . 1 . . . . . 108 V HB . 50410 1 1104 . 1 . 1 108 108 VAL HG11 H 1 0.088 0.005 . 2 . . . . . 108 V MG1 . 50410 1 1105 . 1 . 1 108 108 VAL HG12 H 1 0.088 0.005 . 2 . . . . . 108 V MG1 . 50410 1 1106 . 1 . 1 108 108 VAL HG13 H 1 0.088 0.005 . 2 . . . . . 108 V MG1 . 50410 1 1107 . 1 . 1 108 108 VAL HG21 H 1 -0.204 0.018 . 2 . . . . . 108 V MG2 . 50410 1 1108 . 1 . 1 108 108 VAL HG22 H 1 -0.204 0.018 . 2 . . . . . 108 V MG2 . 50410 1 1109 . 1 . 1 108 108 VAL HG23 H 1 -0.204 0.018 . 2 . . . . . 108 V MG2 . 50410 1 1110 . 1 . 1 108 108 VAL CA C 13 60.225 0.242 . 1 . . . . . 108 V CA . 50410 1 1111 . 1 . 1 108 108 VAL CB C 13 36.503 0.118 . 1 . . . . . 108 V CB . 50410 1 1112 . 1 . 1 108 108 VAL CG1 C 13 21.003 0.104 . 2 . . . . . 108 V CG1 . 50410 1 1113 . 1 . 1 108 108 VAL CG2 C 13 21.750 0.145 . 2 . . . . . 108 V CG2 . 50410 1 1114 . 1 . 1 108 108 VAL N N 15 119.435 0.012 . 1 . . . . . 108 V N . 50410 1 1115 . 1 . 1 109 109 LEU H H 1 8.470 0.006 . 1 . . . . . 109 L H . 50410 1 1116 . 1 . 1 109 109 LEU HA H 1 5.078 0.018 . 1 . . . . . 109 L HA . 50410 1 1117 . 1 . 1 109 109 LEU HB2 H 1 1.570 0.013 . 2 . . . . . 109 L HB2 . 50410 1 1118 . 1 . 1 109 109 LEU HB3 H 1 1.288 0.004 . 2 . . . . . 109 L HB3 . 50410 1 1119 . 1 . 1 109 109 LEU HG H 1 1.367 0.021 . 1 . . . . . 109 L HG . 50410 1 1120 . 1 . 1 109 109 LEU HD11 H 1 0.905 0.010 . 2 . . . . . 109 L MD1 . 50410 1 1121 . 1 . 1 109 109 LEU HD12 H 1 0.905 0.010 . 2 . . . . . 109 L MD1 . 50410 1 1122 . 1 . 1 109 109 LEU HD13 H 1 0.905 0.010 . 2 . . . . . 109 L MD1 . 50410 1 1123 . 1 . 1 109 109 LEU HD21 H 1 0.835 0.005 . 2 . . . . . 109 L MD2 . 50410 1 1124 . 1 . 1 109 109 LEU HD22 H 1 0.835 0.005 . 2 . . . . . 109 L MD2 . 50410 1 1125 . 1 . 1 109 109 LEU HD23 H 1 0.835 0.005 . 2 . . . . . 109 L MD2 . 50410 1 1126 . 1 . 1 109 109 LEU C C 13 174.821 0.000 . 1 . . . . . 109 L C . 50410 1 1127 . 1 . 1 109 109 LEU CA C 13 53.585 0.089 . 1 . . . . . 109 L CA . 50410 1 1128 . 1 . 1 109 109 LEU CB C 13 46.239 0.083 . 1 . . . . . 109 L CB . 50410 1 1129 . 1 . 1 109 109 LEU CG C 13 27.141 0.226 . 1 . . . . . 109 L CG . 50410 1 1130 . 1 . 1 109 109 LEU CD1 C 13 24.002 0.091 . 2 . . . . . 109 L CD1 . 50410 1 1131 . 1 . 1 109 109 LEU CD2 C 13 25.652 0.192 . 2 . . . . . 109 L CD2 . 50410 1 1132 . 1 . 1 109 109 LEU N N 15 124.978 0.133 . 1 . . . . . 109 L N . 50410 1 1133 . 1 . 1 110 110 TRP H H 1 9.905 0.008 . 1 . . . . . 110 W H . 50410 1 1134 . 1 . 1 110 110 TRP HA H 1 4.784 0.006 . 1 . . . . . 110 W HA . 50410 1 1135 . 1 . 1 110 110 TRP HB2 H 1 3.414 0.013 . 2 . . . . . 110 W HB2 . 50410 1 1136 . 1 . 1 110 110 TRP HB3 H 1 2.661 0.010 . 2 . . . . . 110 W HB3 . 50410 1 1137 . 1 . 1 110 110 TRP HE3 H 1 7.794 0.016 . 1 . . . . . 110 W HE3 . 50410 1 1138 . 1 . 1 110 110 TRP HZ3 H 1 6.506 0.000 . 1 . . . . . 110 W HZ3 . 50410 1 1139 . 1 . 1 110 110 TRP HH2 H 1 6.957 0.000 . 1 . . . . . 110 W HH2 . 50410 1 1140 . 1 . 1 110 110 TRP C C 13 175.022 0.000 . 1 . . . . . 110 W C . 50410 1 1141 . 1 . 1 110 110 TRP CA C 13 58.899 0.056 . 1 . . . . . 110 W CA . 50410 1 1142 . 1 . 1 110 110 TRP CB C 13 33.209 0.170 . 1 . . . . . 110 W CB . 50410 1 1143 . 1 . 1 110 110 TRP N N 15 125.398 0.104 . 1 . . . . . 110 W N . 50410 1 1144 . 1 . 1 111 111 LEU H H 1 8.568 0.029 . 1 . . . . . 111 L H . 50410 1 1145 . 1 . 1 111 111 LEU HA H 1 5.365 0.010 . 1 . . . . . 111 L HA . 50410 1 1146 . 1 . 1 111 111 LEU HB2 H 1 1.653 0.011 . 2 . . . . . 111 L HB2 . 50410 1 1147 . 1 . 1 111 111 LEU HB3 H 1 1.574 0.017 . 2 . . . . . 111 L HB3 . 50410 1 1148 . 1 . 1 111 111 LEU HG H 1 2.002 0.000 . 1 . . . . . 111 L HG . 50410 1 1149 . 1 . 1 111 111 LEU HD11 H 1 0.913 0.009 . 2 . . . . . 111 L MD1 . 50410 1 1150 . 1 . 1 111 111 LEU HD12 H 1 0.913 0.009 . 2 . . . . . 111 L MD1 . 50410 1 1151 . 1 . 1 111 111 LEU HD13 H 1 0.913 0.009 . 2 . . . . . 111 L MD1 . 50410 1 1152 . 1 . 1 111 111 LEU HD21 H 1 0.800 0.012 . 2 . . . . . 111 L MD2 . 50410 1 1153 . 1 . 1 111 111 LEU HD22 H 1 0.800 0.012 . 2 . . . . . 111 L MD2 . 50410 1 1154 . 1 . 1 111 111 LEU HD23 H 1 0.800 0.012 . 2 . . . . . 111 L MD2 . 50410 1 1155 . 1 . 1 111 111 LEU C C 13 176.698 0.000 . 1 . . . . . 111 L C . 50410 1 1156 . 1 . 1 111 111 LEU CA C 13 53.926 0.252 . 1 . . . . . 111 L CA . 50410 1 1157 . 1 . 1 111 111 LEU CB C 13 43.612 0.099 . 1 . . . . . 111 L CB . 50410 1 1158 . 1 . 1 111 111 LEU CG C 13 27.958 0.000 . 1 . . . . . 111 L CG . 50410 1 1159 . 1 . 1 111 111 LEU CD1 C 13 24.714 0.109 . 2 . . . . . 111 L CD1 . 50410 1 1160 . 1 . 1 111 111 LEU CD2 C 13 25.326 0.239 . 2 . . . . . 111 L CD2 . 50410 1 1161 . 1 . 1 111 111 LEU N N 15 122.131 0.106 . 1 . . . . . 111 L N . 50410 1 1162 . 1 . 1 112 112 PHE H H 1 9.487 0.020 . 1 . . . . . 112 F H . 50410 1 1163 . 1 . 1 112 112 PHE HA H 1 5.553 0.008 . 1 . . . . . 112 F HA . 50410 1 1164 . 1 . 1 112 112 PHE HB2 H 1 2.744 0.013 . 2 . . . . . 112 F HB2 . 50410 1 1165 . 1 . 1 112 112 PHE HB3 H 1 2.619 0.015 . 2 . . . . . 112 F HB3 . 50410 1 1166 . 1 . 1 112 112 PHE HD1 H 1 6.782 0.014 . 3 . . . . . 112 F HD1 . 50410 1 1167 . 1 . 1 112 112 PHE HD2 H 1 6.782 0.014 . 3 . . . . . 112 F HD2 . 50410 1 1168 . 1 . 1 112 112 PHE HE1 H 1 7.053 0.024 . 3 . . . . . 112 F HE1 . 50410 1 1169 . 1 . 1 112 112 PHE HE2 H 1 7.053 0.024 . 3 . . . . . 112 F HE2 . 50410 1 1170 . 1 . 1 112 112 PHE C C 13 176.137 0.033 . 1 . . . . . 112 F C . 50410 1 1171 . 1 . 1 112 112 PHE CA C 13 56.252 0.141 . 1 . . . . . 112 F CA . 50410 1 1172 . 1 . 1 112 112 PHE CB C 13 43.939 0.056 . 1 . . . . . 112 F CB . 50410 1 1173 . 1 . 1 112 112 PHE N N 15 119.340 0.050 . 1 . . . . . 112 F N . 50410 1 1174 . 1 . 1 113 113 THR H H 1 9.068 0.005 . 1 . . . . . 113 T H . 50410 1 1175 . 1 . 1 113 113 THR HA H 1 5.303 0.018 . 1 . . . . . 113 T HA . 50410 1 1176 . 1 . 1 113 113 THR HB H 1 3.826 0.016 . 1 . . . . . 113 T HB . 50410 1 1177 . 1 . 1 113 113 THR HG21 H 1 1.192 0.007 . 1 . . . . . 113 T MG . 50410 1 1178 . 1 . 1 113 113 THR HG22 H 1 1.192 0.007 . 1 . . . . . 113 T MG . 50410 1 1179 . 1 . 1 113 113 THR HG23 H 1 1.192 0.007 . 1 . . . . . 113 T MG . 50410 1 1180 . 1 . 1 113 113 THR C C 13 173.658 0.046 . 1 . . . . . 113 T C . 50410 1 1181 . 1 . 1 113 113 THR CA C 13 62.464 0.098 . 1 . . . . . 113 T CA . 50410 1 1182 . 1 . 1 113 113 THR CB C 13 70.492 0.063 . 1 . . . . . 113 T CB . 50410 1 1183 . 1 . 1 113 113 THR CG2 C 13 22.815 0.073 . 1 . . . . . 113 T CG2 . 50410 1 1184 . 1 . 1 113 113 THR N N 15 117.837 0.126 . 1 . . . . . 113 T N . 50410 1 1185 . 1 . 1 114 114 LEU H H 1 9.580 0.005 . 1 . . . . . 114 L H . 50410 1 1186 . 1 . 1 114 114 LEU HA H 1 5.433 0.023 . 1 . . . . . 114 L HA . 50410 1 1187 . 1 . 1 114 114 LEU HB2 H 1 1.722 0.009 . 2 . . . . . 114 L HB2 . 50410 1 1188 . 1 . 1 114 114 LEU HB3 H 1 1.302 0.015 . 2 . . . . . 114 L HB3 . 50410 1 1189 . 1 . 1 114 114 LEU HG H 1 1.402 0.009 . 1 . . . . . 114 L HG . 50410 1 1190 . 1 . 1 114 114 LEU HD11 H 1 0.611 0.009 . 2 . . . . . 114 L MD1 . 50410 1 1191 . 1 . 1 114 114 LEU HD12 H 1 0.611 0.009 . 2 . . . . . 114 L MD1 . 50410 1 1192 . 1 . 1 114 114 LEU HD13 H 1 0.611 0.009 . 2 . . . . . 114 L MD1 . 50410 1 1193 . 1 . 1 114 114 LEU HD21 H 1 0.453 0.005 . 2 . . . . . 114 L MD2 . 50410 1 1194 . 1 . 1 114 114 LEU HD22 H 1 0.453 0.005 . 2 . . . . . 114 L MD2 . 50410 1 1195 . 1 . 1 114 114 LEU HD23 H 1 0.453 0.005 . 2 . . . . . 114 L MD2 . 50410 1 1196 . 1 . 1 114 114 LEU C C 13 177.085 0.007 . 1 . . . . . 114 L C . 50410 1 1197 . 1 . 1 114 114 LEU CA C 13 52.260 0.123 . 1 . . . . . 114 L CA . 50410 1 1198 . 1 . 1 114 114 LEU CB C 13 44.388 0.132 . 1 . . . . . 114 L CB . 50410 1 1199 . 1 . 1 114 114 LEU CG C 13 27.384 0.167 . 1 . . . . . 114 L CG . 50410 1 1200 . 1 . 1 114 114 LEU CD1 C 13 25.723 0.149 . 2 . . . . . 114 L CD1 . 50410 1 1201 . 1 . 1 114 114 LEU CD2 C 13 24.847 0.088 . 2 . . . . . 114 L CD2 . 50410 1 1202 . 1 . 1 114 114 LEU N N 15 126.794 0.096 . 1 . . . . . 114 L N . 50410 1 1203 . 1 . 1 115 115 ASN H H 1 8.343 0.007 . 1 . . . . . 115 N H . 50410 1 1204 . 1 . 1 115 115 ASN HA H 1 4.473 0.024 . 1 . . . . . 115 N HA . 50410 1 1205 . 1 . 1 115 115 ASN HB2 H 1 3.564 0.024 . 2 . . . . . 115 N HB2 . 50410 1 1206 . 1 . 1 115 115 ASN HB3 H 1 2.743 0.015 . 2 . . . . . 115 N HB3 . 50410 1 1207 . 1 . 1 115 115 ASN HD21 H 1 7.865 0.003 . 2 . . . . . 115 N HD21 . 50410 1 1208 . 1 . 1 115 115 ASN HD22 H 1 7.494 0.002 . 2 . . . . . 115 N HD22 . 50410 1 1209 . 1 . 1 115 115 ASN C C 13 178.197 0.000 . 1 . . . . . 115 N C . 50410 1 1210 . 1 . 1 115 115 ASN CA C 13 50.846 0.085 . 1 . . . . . 115 N CA . 50410 1 1211 . 1 . 1 115 115 ASN CB C 13 38.354 0.045 . 1 . . . . . 115 N CB . 50410 1 1212 . 1 . 1 115 115 ASN N N 15 117.293 0.053 . 1 . . . . . 115 N N . 50410 1 1213 . 1 . 1 115 115 ASN ND2 N 15 111.225 0.051 . 1 . . . . . 115 N ND2 . 50410 1 1214 . 1 . 1 116 116 GLN H H 1 8.468 0.007 . 1 . . . . . 116 Q H . 50410 1 1215 . 1 . 1 116 116 GLN HA H 1 4.026 0.010 . 1 . . . . . 116 Q HA . 50410 1 1216 . 1 . 1 116 116 GLN HB2 H 1 2.109 0.007 . 2 . . . . . 116 Q HB2 . 50410 1 1217 . 1 . 1 116 116 GLN HB3 H 1 2.109 0.007 . 2 . . . . . 116 Q HB3 . 50410 1 1218 . 1 . 1 116 116 GLN HG2 H 1 2.549 0.008 . 2 . . . . . 116 Q HG2 . 50410 1 1219 . 1 . 1 116 116 GLN HG3 H 1 2.411 0.011 . 2 . . . . . 116 Q HG3 . 50410 1 1220 . 1 . 1 116 116 GLN HE21 H 1 7.505 0.002 . 2 . . . . . 116 Q HE21 . 50410 1 1221 . 1 . 1 116 116 GLN HE22 H 1 6.867 0.042 . 2 . . . . . 116 Q HE22 . 50410 1 1222 . 1 . 1 116 116 GLN C C 13 176.873 0.017 . 1 . . . . . 116 Q C . 50410 1 1223 . 1 . 1 116 116 GLN CA C 13 59.657 0.151 . 1 . . . . . 116 Q CA . 50410 1 1224 . 1 . 1 116 116 GLN CB C 13 28.017 0.166 . 1 . . . . . 116 Q CB . 50410 1 1225 . 1 . 1 116 116 GLN CG C 13 34.107 0.130 . 1 . . . . . 116 Q CG . 50410 1 1226 . 1 . 1 116 116 GLN N N 15 123.014 0.000 . 1 . . . . . 116 Q N . 50410 1 1227 . 1 . 1 116 116 GLN NE2 N 15 111.342 0.231 . 1 . . . . . 116 Q NE2 . 50410 1 1228 . 1 . 1 117 117 GLU H H 1 7.514 0.012 . 1 . . . . . 117 E H . 50410 1 1229 . 1 . 1 117 117 GLU HA H 1 4.268 0.006 . 1 . . . . . 117 E HA . 50410 1 1230 . 1 . 1 117 117 GLU HB2 H 1 2.183 0.022 . 2 . . . . . 117 E HB2 . 50410 1 1231 . 1 . 1 117 117 GLU HB3 H 1 1.864 0.009 . 2 . . . . . 117 E HB3 . 50410 1 1232 . 1 . 1 117 117 GLU HG2 H 1 2.249 0.001 . 2 . . . . . 117 E HG2 . 50410 1 1233 . 1 . 1 117 117 GLU HG3 H 1 2.179 0.011 . 2 . . . . . 117 E HG3 . 50410 1 1234 . 1 . 1 117 117 GLU C C 13 175.033 0.009 . 1 . . . . . 117 E C . 50410 1 1235 . 1 . 1 117 117 GLU CA C 13 56.630 0.063 . 1 . . . . . 117 E CA . 50410 1 1236 . 1 . 1 117 117 GLU CB C 13 28.864 0.023 . 1 . . . . . 117 E CB . 50410 1 1237 . 1 . 1 117 117 GLU CG C 13 36.866 0.038 . 1 . . . . . 117 E CG . 50410 1 1238 . 1 . 1 117 117 GLU N N 15 117.583 0.059 . 1 . . . . . 117 E N . 50410 1 1239 . 1 . 1 118 118 LYS H H 1 8.147 0.007 . 1 . . . . . 118 K H . 50410 1 1240 . 1 . 1 118 118 LYS HA H 1 3.619 0.008 . 1 . . . . . 118 K HA . 50410 1 1241 . 1 . 1 118 118 LYS HB2 H 1 2.321 0.013 . 2 . . . . . 118 K HB2 . 50410 1 1242 . 1 . 1 118 118 LYS HB3 H 1 1.850 0.010 . 2 . . . . . 118 K HB3 . 50410 1 1243 . 1 . 1 118 118 LYS HG2 H 1 1.524 0.001 . 2 . . . . . 118 K HG2 . 50410 1 1244 . 1 . 1 118 118 LYS HG3 H 1 1.161 0.019 . 2 . . . . . 118 K HG3 . 50410 1 1245 . 1 . 1 118 118 LYS HD2 H 1 1.598 0.000 . 2 . . . . . 118 K HD2 . 50410 1 1246 . 1 . 1 118 118 LYS HD3 H 1 1.356 0.001 . 2 . . . . . 118 K HD3 . 50410 1 1247 . 1 . 1 118 118 LYS HE2 H 1 2.995 0.007 . 2 . . . . . 118 K HE2 . 50410 1 1248 . 1 . 1 118 118 LYS HE3 H 1 2.995 0.007 . 2 . . . . . 118 K HE3 . 50410 1 1249 . 1 . 1 118 118 LYS C C 13 175.508 . . 1 . . . . . 118 K C . 50410 1 1250 . 1 . 1 118 118 LYS CA C 13 56.003 0.155 . 1 . . . . . 118 K CA . 50410 1 1251 . 1 . 1 118 118 LYS CB C 13 27.660 0.073 . 1 . . . . . 118 K CB . 50410 1 1252 . 1 . 1 118 118 LYS CG C 13 23.765 0.103 . 1 . . . . . 118 K CG . 50410 1 1253 . 1 . 1 118 118 LYS CD C 13 23.405 0.000 . 1 . . . . . 118 K CD . 50410 1 1254 . 1 . 1 118 118 LYS CE C 13 42.008 0.129 . 1 . . . . . 118 K CE . 50410 1 1255 . 1 . 1 118 118 LYS N N 15 111.049 0.053 . 1 . . . . . 118 K N . 50410 1 1256 . 1 . 1 119 119 GLN H H 1 8.037 0.012 . 1 . . . . . 119 Q H . 50410 1 1257 . 1 . 1 119 119 GLN HA H 1 4.507 0.008 . 1 . . . . . 119 Q HA . 50410 1 1258 . 1 . 1 119 119 GLN HB2 H 1 1.920 0.008 . 2 . . . . . 119 Q HB2 . 50410 1 1259 . 1 . 1 119 119 GLN HB3 H 1 1.775 0.011 . 2 . . . . . 119 Q HB3 . 50410 1 1260 . 1 . 1 119 119 GLN HG2 H 1 2.294 0.000 . 2 . . . . . 119 Q HG2 . 50410 1 1261 . 1 . 1 119 119 GLN HG3 H 1 2.178 0.000 . 2 . . . . . 119 Q HG3 . 50410 1 1262 . 1 . 1 119 119 GLN C C 13 176.415 0.062 . 1 . . . . . 119 Q C . 50410 1 1263 . 1 . 1 119 119 GLN CA C 13 54.182 0.096 . 1 . . . . . 119 Q CA . 50410 1 1264 . 1 . 1 119 119 GLN CB C 13 30.248 0.067 . 1 . . . . . 119 Q CB . 50410 1 1265 . 1 . 1 119 119 GLN CG C 13 34.035 0.000 . 1 . . . . . 119 Q CG . 50410 1 1266 . 1 . 1 119 119 GLN N N 15 116.769 0.052 . 1 . . . . . 119 Q N . 50410 1 1267 . 1 . 1 120 120 ILE H H 1 8.797 0.007 . 1 . . . . . 120 I H . 50410 1 1268 . 1 . 1 120 120 ILE HA H 1 3.898 0.015 . 1 . . . . . 120 I HA . 50410 1 1269 . 1 . 1 120 120 ILE HB H 1 0.456 0.008 . 1 . . . . . 120 I HB . 50410 1 1270 . 1 . 1 120 120 ILE HG12 H 1 1.199 0.008 . 2 . . . . . 120 I HG12 . 50410 1 1271 . 1 . 1 120 120 ILE HG13 H 1 0.125 0.009 . 2 . . . . . 120 I HG13 . 50410 1 1272 . 1 . 1 120 120 ILE HG21 H 1 0.461 0.006 . 1 . . . . . 120 I MG . 50410 1 1273 . 1 . 1 120 120 ILE HG22 H 1 0.461 0.006 . 1 . . . . . 120 I MG . 50410 1 1274 . 1 . 1 120 120 ILE HG23 H 1 0.461 0.006 . 1 . . . . . 120 I MG . 50410 1 1275 . 1 . 1 120 120 ILE HD11 H 1 0.097 0.009 . 1 . . . . . 120 I MD . 50410 1 1276 . 1 . 1 120 120 ILE HD12 H 1 0.097 0.009 . 1 . . . . . 120 I MD . 50410 1 1277 . 1 . 1 120 120 ILE HD13 H 1 0.097 0.009 . 1 . . . . . 120 I MD . 50410 1 1278 . 1 . 1 120 120 ILE C C 13 176.571 0.000 . 1 . . . . . 120 I C . 50410 1 1279 . 1 . 1 120 120 ILE CA C 13 63.054 0.051 . 1 . . . . . 120 I CA . 50410 1 1280 . 1 . 1 120 120 ILE CB C 13 37.850 0.120 . 1 . . . . . 120 I CB . 50410 1 1281 . 1 . 1 120 120 ILE CG1 C 13 27.348 0.063 . 1 . . . . . 120 I CG1 . 50410 1 1282 . 1 . 1 120 120 ILE CG2 C 13 20.579 0.123 . 1 . . . . . 120 I CG2 . 50410 1 1283 . 1 . 1 120 120 ILE CD1 C 13 13.876 0.073 . 1 . . . . . 120 I CD1 . 50410 1 1284 . 1 . 1 120 120 ILE N N 15 120.462 0.100 . 1 . . . . . 120 I N . 50410 1 1285 . 1 . 1 121 121 ILE H H 1 8.776 0.006 . 1 . . . . . 121 I H . 50410 1 1286 . 1 . 1 121 121 ILE HA H 1 4.763 0.015 . 1 . . . . . 121 I HA . 50410 1 1287 . 1 . 1 121 121 ILE HB H 1 2.096 0.009 . 1 . . . . . 121 I HB . 50410 1 1288 . 1 . 1 121 121 ILE HG12 H 1 1.280 0.007 . 2 . . . . . 121 I HG12 . 50410 1 1289 . 1 . 1 121 121 ILE HG13 H 1 0.821 0.003 . 2 . . . . . 121 I HG13 . 50410 1 1290 . 1 . 1 121 121 ILE HG21 H 1 0.908 0.009 . 1 . . . . . 121 I MG . 50410 1 1291 . 1 . 1 121 121 ILE HG22 H 1 0.908 0.009 . 1 . . . . . 121 I MG . 50410 1 1292 . 1 . 1 121 121 ILE HG23 H 1 0.908 0.009 . 1 . . . . . 121 I MG . 50410 1 1293 . 1 . 1 121 121 ILE HD11 H 1 0.746 0.017 . 1 . . . . . 121 I MD . 50410 1 1294 . 1 . 1 121 121 ILE HD12 H 1 0.746 0.017 . 1 . . . . . 121 I MD . 50410 1 1295 . 1 . 1 121 121 ILE HD13 H 1 0.746 0.017 . 1 . . . . . 121 I MD . 50410 1 1296 . 1 . 1 121 121 ILE C C 13 176.593 0.000 . 1 . . . . . 121 I C . 50410 1 1297 . 1 . 1 121 121 ILE CA C 13 61.172 0.053 . 1 . . . . . 121 I CA . 50410 1 1298 . 1 . 1 121 121 ILE CB C 13 38.693 0.076 . 1 . . . . . 121 I CB . 50410 1 1299 . 1 . 1 121 121 ILE CG1 C 13 26.620 0.192 . 1 . . . . . 121 I CG1 . 50410 1 1300 . 1 . 1 121 121 ILE CG2 C 13 19.425 0.097 . 1 . . . . . 121 I CG2 . 50410 1 1301 . 1 . 1 121 121 ILE CD1 C 13 14.281 0.131 . 1 . . . . . 121 I CD1 . 50410 1 1302 . 1 . 1 121 121 ILE N N 15 121.391 0.096 . 1 . . . . . 121 I N . 50410 1 1303 . 1 . 1 122 122 HIS H H 1 7.654 0.006 . 1 . . . . . 122 H H . 50410 1 1304 . 1 . 1 122 122 HIS HA H 1 5.695 0.010 . 1 . . . . . 122 H HA . 50410 1 1305 . 1 . 1 122 122 HIS HB2 H 1 3.244 0.013 . 2 . . . . . 122 H HB2 . 50410 1 1306 . 1 . 1 122 122 HIS HB3 H 1 2.999 0.017 . 2 . . . . . 122 H HB3 . 50410 1 1307 . 1 . 1 122 122 HIS HD2 H 1 6.866 0.069 . 1 . . . . . 122 H HD2 . 50410 1 1308 . 1 . 1 122 122 HIS C C 13 174.930 0.000 . 1 . . . . . 122 H C . 50410 1 1309 . 1 . 1 122 122 HIS CA C 13 56.692 0.062 . 1 . . . . . 122 H CA . 50410 1 1310 . 1 . 1 122 122 HIS CB C 13 34.791 0.092 . 1 . . . . . 122 H CB . 50410 1 1311 . 1 . 1 122 122 HIS N N 15 123.802 0.147 . 1 . . . . . 122 H N . 50410 1 1312 . 1 . 1 123 123 THR H H 1 8.366 0.014 . 1 . . . . . 123 T H . 50410 1 1313 . 1 . 1 123 123 THR HA H 1 5.357 0.023 . 1 . . . . . 123 T HA . 50410 1 1314 . 1 . 1 123 123 THR HB H 1 3.911 0.009 . 1 . . . . . 123 T HB . 50410 1 1315 . 1 . 1 123 123 THR HG21 H 1 0.908 0.002 . 1 . . . . . 123 T MG . 50410 1 1316 . 1 . 1 123 123 THR HG22 H 1 0.908 0.002 . 1 . . . . . 123 T MG . 50410 1 1317 . 1 . 1 123 123 THR HG23 H 1 0.908 0.002 . 1 . . . . . 123 T MG . 50410 1 1318 . 1 . 1 123 123 THR CA C 13 60.490 0.120 . 1 . . . . . 123 T CA . 50410 1 1319 . 1 . 1 123 123 THR CB C 13 71.018 0.094 . 1 . . . . . 123 T CB . 50410 1 1320 . 1 . 1 123 123 THR CG2 C 13 24.882 0.000 . 1 . . . . . 123 T CG2 . 50410 1 1321 . 1 . 1 123 123 THR N N 15 119.586 0.097 . 1 . . . . . 123 T N . 50410 1 1322 . 1 . 1 124 124 GLN H H 1 7.807 0.010 . 1 . . . . . 124 Q H . 50410 1 1323 . 1 . 1 124 124 GLN HA H 1 4.092 0.015 . 1 . . . . . 124 Q HA . 50410 1 1324 . 1 . 1 124 124 GLN HB2 H 1 2.020 0.000 . 2 . . . . . 124 Q HB2 . 50410 1 1325 . 1 . 1 124 124 GLN HB3 H 1 2.020 0.000 . 2 . . . . . 124 Q HB3 . 50410 1 1326 . 1 . 1 124 124 GLN HG2 H 1 2.322 0.008 . 2 . . . . . 124 Q HG2 . 50410 1 1327 . 1 . 1 124 124 GLN HG3 H 1 2.322 0.008 . 2 . . . . . 124 Q HG3 . 50410 1 1328 . 1 . 1 124 124 GLN CA C 13 58.857 0.084 . 1 . . . . . 124 Q CA . 50410 1 1329 . 1 . 1 124 124 GLN CB C 13 29.628 0.000 . 1 . . . . . 124 Q CB . 50410 1 1330 . 1 . 1 124 124 GLN CG C 13 36.434 0.000 . 1 . . . . . 124 Q CG . 50410 1 1331 . 1 . 1 124 124 GLN N N 15 121.649 0.135 . 1 . . . . . 124 Q N . 50410 1 1332 . 1 . 1 125 125 ILE H H 1 8.303 0.005 . 1 . . . . . 125 I H . 50410 1 1333 . 1 . 1 125 125 ILE HA H 1 4.500 0.017 . 1 . . . . . 125 I HA . 50410 1 1334 . 1 . 1 125 125 ILE HB H 1 1.414 0.015 . 1 . . . . . 125 I HB . 50410 1 1335 . 1 . 1 125 125 ILE HG12 H 1 0.690 0.007 . 2 . . . . . 125 I HG12 . 50410 1 1336 . 1 . 1 125 125 ILE HG13 H 1 0.690 0.007 . 2 . . . . . 125 I HG13 . 50410 1 1337 . 1 . 1 125 125 ILE HG21 H 1 0.248 0.022 . 1 . . . . . 125 I MG . 50410 1 1338 . 1 . 1 125 125 ILE HG22 H 1 0.248 0.022 . 1 . . . . . 125 I MG . 50410 1 1339 . 1 . 1 125 125 ILE HG23 H 1 0.248 0.022 . 1 . . . . . 125 I MG . 50410 1 1340 . 1 . 1 125 125 ILE HD11 H 1 0.912 0.004 . 1 . . . . . 125 I MD . 50410 1 1341 . 1 . 1 125 125 ILE HD12 H 1 0.912 0.004 . 1 . . . . . 125 I MD . 50410 1 1342 . 1 . 1 125 125 ILE HD13 H 1 0.912 0.004 . 1 . . . . . 125 I MD . 50410 1 1343 . 1 . 1 125 125 ILE CA C 13 60.240 0.163 . 1 . . . . . 125 I CA . 50410 1 1344 . 1 . 1 125 125 ILE CB C 13 39.979 0.119 . 1 . . . . . 125 I CB . 50410 1 1345 . 1 . 1 125 125 ILE CG1 C 13 28.355 0.195 . 1 . . . . . 125 I CG1 . 50410 1 1346 . 1 . 1 125 125 ILE CG2 C 13 17.662 0.176 . 1 . . . . . 125 I CG2 . 50410 1 1347 . 1 . 1 125 125 ILE CD1 C 13 14.084 0.413 . 1 . . . . . 125 I CD1 . 50410 1 1348 . 1 . 1 125 125 ILE N N 15 126.572 0.016 . 1 . . . . . 125 I N . 50410 1 1349 . 1 . 1 126 126 LYS H H 1 8.928 0.007 . 1 . . . . . 126 K H . 50410 1 1350 . 1 . 1 126 126 LYS HA H 1 4.431 0.013 . 1 . . . . . 126 K HA . 50410 1 1351 . 1 . 1 126 126 LYS HB2 H 1 1.793 0.000 . 2 . . . . . 126 K HB2 . 50410 1 1352 . 1 . 1 126 126 LYS HB3 H 1 1.651 0.008 . 2 . . . . . 126 K HB3 . 50410 1 1353 . 1 . 1 126 126 LYS HG2 H 1 1.185 0.007 . 2 . . . . . 126 K HG2 . 50410 1 1354 . 1 . 1 126 126 LYS HG3 H 1 1.119 0.011 . 2 . . . . . 126 K HG3 . 50410 1 1355 . 1 . 1 126 126 LYS HD2 H 1 1.494 0.040 . 2 . . . . . 126 K HD2 . 50410 1 1356 . 1 . 1 126 126 LYS HD3 H 1 1.494 0.040 . 2 . . . . . 126 K HD3 . 50410 1 1357 . 1 . 1 126 126 LYS HE2 H 1 2.755 0.008 . 2 . . . . . 126 K HE2 . 50410 1 1358 . 1 . 1 126 126 LYS HE3 H 1 2.755 0.008 . 2 . . . . . 126 K HE3 . 50410 1 1359 . 1 . 1 126 126 LYS CA C 13 54.058 0.123 . 1 . . . . . 126 K CA . 50410 1 1360 . 1 . 1 126 126 LYS CB C 13 34.427 0.259 . 1 . . . . . 126 K CB . 50410 1 1361 . 1 . 1 126 126 LYS CG C 13 24.654 0.063 . 1 . . . . . 126 K CG . 50410 1 1362 . 1 . 1 126 126 LYS CD C 13 29.123 0.088 . 1 . . . . . 126 K CD . 50410 1 1363 . 1 . 1 126 126 LYS CE C 13 41.734 0.428 . 1 . . . . . 126 K CE . 50410 1 1364 . 1 . 1 126 126 LYS N N 15 126.936 0.051 . 1 . . . . . 126 K N . 50410 1 1365 . 1 . 1 127 127 LEU H H 1 8.373 0.000 . 1 . . . . . 127 L H . 50410 1 1366 . 1 . 1 127 127 LEU HA H 1 3.993 0.023 . 1 . . . . . 127 L HA . 50410 1 1367 . 1 . 1 127 127 LEU HB2 H 1 1.730 0.007 . 2 . . . . . 127 L HB2 . 50410 1 1368 . 1 . 1 127 127 LEU HB3 H 1 1.561 0.007 . 2 . . . . . 127 L HB3 . 50410 1 1369 . 1 . 1 127 127 LEU HD11 H 1 0.863 0.001 . 2 . . . . . 127 L MD1 . 50410 1 1370 . 1 . 1 127 127 LEU HD12 H 1 0.863 0.001 . 2 . . . . . 127 L MD1 . 50410 1 1371 . 1 . 1 127 127 LEU HD13 H 1 0.863 0.001 . 2 . . . . . 127 L MD1 . 50410 1 1372 . 1 . 1 127 127 LEU HD21 H 1 0.832 0.010 . 2 . . . . . 127 L MD2 . 50410 1 1373 . 1 . 1 127 127 LEU HD22 H 1 0.832 0.010 . 2 . . . . . 127 L MD2 . 50410 1 1374 . 1 . 1 127 127 LEU HD23 H 1 0.832 0.010 . 2 . . . . . 127 L MD2 . 50410 1 1375 . 1 . 1 127 127 LEU C C 13 178.811 0.000 . 1 . . . . . 127 L C . 50410 1 1376 . 1 . 1 127 127 LEU CA C 13 57.566 0.110 . 1 . . . . . 127 L CA . 50410 1 1377 . 1 . 1 127 127 LEU CB C 13 41.700 0.113 . 1 . . . . . 127 L CB . 50410 1 1378 . 1 . 1 127 127 LEU CG C 13 26.865 0.000 . 1 . . . . . 127 L CG . 50410 1 1379 . 1 . 1 127 127 LEU CD1 C 13 24.972 0.191 . 2 . . . . . 127 L CD1 . 50410 1 1380 . 1 . 1 127 127 LEU CD2 C 13 23.394 0.251 . 2 . . . . . 127 L CD2 . 50410 1 1381 . 1 . 1 128 128 LEU H H 1 7.713 0.005 . 1 . . . . . 128 L H . 50410 1 1382 . 1 . 1 128 128 LEU HA H 1 4.043 0.030 . 1 . . . . . 128 L HA . 50410 1 1383 . 1 . 1 128 128 LEU HB2 H 1 1.795 0.026 . 2 . . . . . 128 L HB2 . 50410 1 1384 . 1 . 1 128 128 LEU HB3 H 1 1.572 0.013 . 2 . . . . . 128 L HB3 . 50410 1 1385 . 1 . 1 128 128 LEU HG H 1 1.978 0.001 . 1 . . . . . 128 L HG . 50410 1 1386 . 1 . 1 128 128 LEU HD11 H 1 0.867 0.014 . 2 . . . . . 128 L MD1 . 50410 1 1387 . 1 . 1 128 128 LEU HD12 H 1 0.867 0.014 . 2 . . . . . 128 L MD1 . 50410 1 1388 . 1 . 1 128 128 LEU HD13 H 1 0.867 0.014 . 2 . . . . . 128 L MD1 . 50410 1 1389 . 1 . 1 128 128 LEU HD21 H 1 0.867 0.014 . 2 . . . . . 128 L MD2 . 50410 1 1390 . 1 . 1 128 128 LEU HD22 H 1 0.867 0.014 . 2 . . . . . 128 L MD2 . 50410 1 1391 . 1 . 1 128 128 LEU HD23 H 1 0.867 0.014 . 2 . . . . . 128 L MD2 . 50410 1 1392 . 1 . 1 128 128 LEU C C 13 178.879 0.042 . 1 . . . . . 128 L C . 50410 1 1393 . 1 . 1 128 128 LEU CA C 13 57.626 0.134 . 1 . . . . . 128 L CA . 50410 1 1394 . 1 . 1 128 128 LEU CB C 13 41.829 0.094 . 1 . . . . . 128 L CB . 50410 1 1395 . 1 . 1 128 128 LEU CG C 13 27.000 0.000 . 1 . . . . . 128 L CG . 50410 1 1396 . 1 . 1 128 128 LEU CD1 C 13 24.762 0.058 . 1 . . . . . 128 L CD . 50410 1 1397 . 1 . 1 128 128 LEU CD2 C 13 24.762 0.058 . 1 . . . . . 128 L CD . 50410 1 1398 . 1 . 1 128 128 LEU N N 15 118.936 0.135 . 1 . . . . . 128 L N . 50410 1 1399 . 1 . 1 129 129 ALA H H 1 7.481 0.011 . 1 . . . . . 129 A H . 50410 1 1400 . 1 . 1 129 129 ALA HA H 1 4.112 0.011 . 1 . . . . . 129 A HA . 50410 1 1401 . 1 . 1 129 129 ALA HB1 H 1 1.526 0.026 . 1 . . . . . 129 A MB . 50410 1 1402 . 1 . 1 129 129 ALA HB2 H 1 1.526 0.026 . 1 . . . . . 129 A MB . 50410 1 1403 . 1 . 1 129 129 ALA HB3 H 1 1.526 0.026 . 1 . . . . . 129 A MB . 50410 1 1404 . 1 . 1 129 129 ALA C C 13 179.462 0.011 . 1 . . . . . 129 A C . 50410 1 1405 . 1 . 1 129 129 ALA CA C 13 54.495 0.090 . 1 . . . . . 129 A CA . 50410 1 1406 . 1 . 1 129 129 ALA CB C 13 18.129 0.119 . 1 . . . . . 129 A CB . 50410 1 1407 . 1 . 1 129 129 ALA N N 15 120.956 0.106 . 1 . . . . . 129 A N . 50410 1 1408 . 1 . 1 130 130 SER H H 1 8.029 0.066 . 1 . . . . . 130 S H . 50410 1 1409 . 1 . 1 130 130 SER HA H 1 4.825 0.000 . 1 . . . . . 130 S HA . 50410 1 1410 . 1 . 1 130 130 SER HB2 H 1 3.952 0.000 . 2 . . . . . 130 S HB2 . 50410 1 1411 . 1 . 1 130 130 SER HB3 H 1 3.784 0.000 . 2 . . . . . 130 S HB3 . 50410 1 1412 . 1 . 1 130 130 SER CA C 13 56.364 0.008 . 1 . . . . . 130 S CA . 50410 1 1413 . 1 . 1 130 130 SER CB C 13 63.581 0.002 . 1 . . . . . 130 S CB . 50410 1 1414 . 1 . 1 130 130 SER N N 15 119.239 0.190 . 1 . . . . . 130 S N . 50410 1 1415 . 1 . 1 131 131 PRO HA H 1 4.476 0.011 . 1 . . . . . 131 P HA . 50410 1 1416 . 1 . 1 131 131 PRO HB2 H 1 2.318 0.008 . 2 . . . . . 131 P HB2 . 50410 1 1417 . 1 . 1 131 131 PRO HB3 H 1 2.001 0.009 . 2 . . . . . 131 P HB3 . 50410 1 1418 . 1 . 1 131 131 PRO HG2 H 1 1.870 0.004 . 2 . . . . . 131 P HG2 . 50410 1 1419 . 1 . 1 131 131 PRO HG3 H 1 1.741 0.013 . 2 . . . . . 131 P HG3 . 50410 1 1420 . 1 . 1 131 131 PRO HD2 H 1 3.543 0.009 . 2 . . . . . 131 P HD2 . 50410 1 1421 . 1 . 1 131 131 PRO HD3 H 1 3.410 0.011 . 2 . . . . . 131 P HD3 . 50410 1 1422 . 1 . 1 131 131 PRO CA C 13 62.603 0.079 . 1 . . . . . 131 P CA . 50410 1 1423 . 1 . 1 131 131 PRO CB C 13 34.515 0.138 . 1 . . . . . 131 P CB . 50410 1 1424 . 1 . 1 131 131 PRO CG C 13 24.529 0.085 . 1 . . . . . 131 P CG . 50410 1 1425 . 1 . 1 131 131 PRO CD C 13 50.244 0.127 . 1 . . . . . 131 P CD . 50410 1 1426 . 1 . 1 132 132 GLN H H 1 7.817 0.006 . 1 . . . . . 132 Q H . 50410 1 1427 . 1 . 1 132 132 GLN HA H 1 4.043 0.008 . 1 . . . . . 132 Q HA . 50410 1 1428 . 1 . 1 132 132 GLN HB2 H 1 1.838 0.007 . 2 . . . . . 132 Q HB2 . 50410 1 1429 . 1 . 1 132 132 GLN HB3 H 1 1.838 0.007 . 2 . . . . . 132 Q HB3 . 50410 1 1430 . 1 . 1 132 132 GLN CA C 13 57.099 0.000 . 1 . . . . . 132 Q CA . 50410 1 1431 . 1 . 1 132 132 GLN CB C 13 30.221 0.035 . 1 . . . . . 132 Q CB . 50410 1 1432 . 1 . 1 132 132 GLN N N 15 119.267 0.052 . 1 . . . . . 132 Q N . 50410 1 1433 . 1 . 1 133 133 GLU H H 1 8.034 0.014 . 1 . . . . . 133 E H . 50410 1 1434 . 1 . 1 133 133 GLU HA H 1 4.101 0.008 . 1 . . . . . 133 E HA . 50410 1 1435 . 1 . 1 133 133 GLU HB2 H 1 2.034 0.000 . 2 . . . . . 133 E HB2 . 50410 1 1436 . 1 . 1 133 133 GLU HB3 H 1 2.003 0.000 . 2 . . . . . 133 E HB3 . 50410 1 1437 . 1 . 1 133 133 GLU HG2 H 1 2.290 0.013 . 2 . . . . . 133 E HG2 . 50410 1 1438 . 1 . 1 133 133 GLU HG3 H 1 2.290 0.013 . 2 . . . . . 133 E HG3 . 50410 1 1439 . 1 . 1 133 133 GLU CA C 13 57.346 0.182 . 1 . . . . . 133 E CA . 50410 1 1440 . 1 . 1 133 133 GLU CB C 13 28.579 0.970 . 1 . . . . . 133 E CB . 50410 1 1441 . 1 . 1 133 133 GLU CG C 13 33.897 0.024 . 1 . . . . . 133 E CG . 50410 1 1442 . 1 . 1 133 133 GLU N N 15 119.280 0.148 . 1 . . . . . 133 E N . 50410 1 1443 . 1 . 1 134 134 LEU H H 1 8.112 0.006 . 1 . . . . . 134 L H . 50410 1 1444 . 1 . 1 134 134 LEU HA H 1 3.699 0.012 . 1 . . . . . 134 L HA . 50410 1 1445 . 1 . 1 134 134 LEU C C 13 178.173 0.000 . 1 . . . . . 134 L C . 50410 1 1446 . 1 . 1 134 134 LEU N N 15 119.993 0.047 . 1 . . . . . 134 L N . 50410 1 1447 . 1 . 1 135 135 LEU H H 1 7.914 0.006 . 1 . . . . . 135 L H . 50410 1 1448 . 1 . 1 135 135 LEU HA H 1 4.260 0.000 . 1 . . . . . 135 L HA . 50410 1 1449 . 1 . 1 135 135 LEU HB2 H 1 1.718 0.000 . 2 . . . . . 135 L HB2 . 50410 1 1450 . 1 . 1 135 135 LEU HB3 H 1 1.505 0.000 . 2 . . . . . 135 L HB3 . 50410 1 1451 . 1 . 1 135 135 LEU N N 15 118.373 0.133 . 1 . . . . . 135 L N . 50410 1 1452 . 1 . 1 136 136 ALA H H 1 8.065 0.000 . 1 . . . . . 136 A H . 50410 1 1453 . 1 . 1 136 136 ALA HA H 1 4.502 0.009 . 1 . . . . . 136 A HA . 50410 1 1454 . 1 . 1 136 136 ALA HB1 H 1 1.218 0.006 . 1 . . . . . 136 A MB . 50410 1 1455 . 1 . 1 136 136 ALA HB2 H 1 1.218 0.006 . 1 . . . . . 136 A MB . 50410 1 1456 . 1 . 1 136 136 ALA HB3 H 1 1.218 0.006 . 1 . . . . . 136 A MB . 50410 1 1457 . 1 . 1 136 136 ALA CA C 13 51.644 0.059 . 1 . . . . . 136 A CA . 50410 1 1458 . 1 . 1 136 136 ALA CB C 13 19.790 0.157 . 1 . . . . . 136 A CB . 50410 1 1459 . 1 . 1 137 137 LEU HA H 1 4.680 0.010 . 1 . . . . . 137 L HA . 50410 1 1460 . 1 . 1 137 137 LEU HD11 H 1 0.819 0.003 . 2 . . . . . 137 L MD1 . 50410 1 1461 . 1 . 1 137 137 LEU HD12 H 1 0.819 0.003 . 2 . . . . . 137 L MD1 . 50410 1 1462 . 1 . 1 137 137 LEU HD13 H 1 0.819 0.003 . 2 . . . . . 137 L MD1 . 50410 1 1463 . 1 . 1 137 137 LEU HD21 H 1 0.739 0.000 . 2 . . . . . 137 L MD2 . 50410 1 1464 . 1 . 1 137 137 LEU HD22 H 1 0.739 0.000 . 2 . . . . . 137 L MD2 . 50410 1 1465 . 1 . 1 137 137 LEU HD23 H 1 0.739 0.000 . 2 . . . . . 137 L MD2 . 50410 1 1466 . 1 . 1 137 137 LEU CA C 13 56.229 0.124 . 1 . . . . . 137 L CA . 50410 1 1467 . 1 . 1 137 137 LEU CB C 13 41.961 0.091 . 1 . . . . . 137 L CB . 50410 1 1468 . 1 . 1 137 137 LEU CD1 C 13 24.600 0.000 . 2 . . . . . 137 L CD1 . 50410 1 1469 . 1 . 1 138 138 ARG H H 1 7.957 0.003 . 1 . . . . . 138 R H . 50410 1 1470 . 1 . 1 138 138 ARG HA H 1 4.159 0.010 . 1 . . . . . 138 R HA . 50410 1 1471 . 1 . 1 138 138 ARG HB2 H 1 1.771 0.014 . 2 . . . . . 138 R HB2 . 50410 1 1472 . 1 . 1 138 138 ARG HB3 H 1 1.771 0.014 . 2 . . . . . 138 R HB3 . 50410 1 1473 . 1 . 1 138 138 ARG HG2 H 1 1.499 0.002 . 2 . . . . . 138 R HG2 . 50410 1 1474 . 1 . 1 138 138 ARG HG3 H 1 1.499 0.002 . 2 . . . . . 138 R HG3 . 50410 1 1475 . 1 . 1 138 138 ARG HD2 H 1 3.050 0.003 . 2 . . . . . 138 R HD2 . 50410 1 1476 . 1 . 1 138 138 ARG HD3 H 1 3.050 0.003 . 2 . . . . . 138 R HD3 . 50410 1 1477 . 1 . 1 138 138 ARG CA C 13 56.368 0.053 . 1 . . . . . 138 R CA . 50410 1 1478 . 1 . 1 138 138 ARG CB C 13 30.462 0.083 . 1 . . . . . 138 R CB . 50410 1 1479 . 1 . 1 138 138 ARG CG C 13 27.082 0.036 . 1 . . . . . 138 R CG . 50410 1 1480 . 1 . 1 138 138 ARG CD C 13 43.246 0.048 . 1 . . . . . 138 R CD . 50410 1 1481 . 1 . 1 138 138 ARG N N 15 120.951 0.033 . 1 . . . . . 138 R N . 50410 1 1482 . 1 . 1 139 139 ARG HA H 1 4.168 0.005 . 1 . . . . . 139 R HA . 50410 1 1483 . 1 . 1 139 139 ARG HB2 H 1 1.680 0.001 . 2 . . . . . 139 R HB2 . 50410 1 1484 . 1 . 1 139 139 ARG HB3 H 1 1.680 0.001 . 2 . . . . . 139 R HB3 . 50410 1 1485 . 1 . 1 139 139 ARG HG2 H 1 1.546 0.004 . 2 . . . . . 139 R HG2 . 50410 1 1486 . 1 . 1 139 139 ARG HG3 H 1 1.546 0.004 . 2 . . . . . 139 R HG3 . 50410 1 1487 . 1 . 1 139 139 ARG HD2 H 1 3.089 0.001 . 2 . . . . . 139 R HD2 . 50410 1 1488 . 1 . 1 139 139 ARG HD3 H 1 3.089 0.001 . 2 . . . . . 139 R HD3 . 50410 1 1489 . 1 . 1 139 139 ARG CA C 13 56.347 0.053 . 1 . . . . . 139 R CA . 50410 1 1490 . 1 . 1 139 139 ARG CB C 13 30.576 0.141 . 1 . . . . . 139 R CB . 50410 1 1491 . 1 . 1 139 139 ARG CG C 13 27.089 0.029 . 1 . . . . . 139 R CG . 50410 1 1492 . 1 . 1 139 139 ARG CD C 13 43.255 0.067 . 1 . . . . . 139 R CD . 50410 1 1493 . 1 . 1 142 142 HIS HA H 1 4.537 0.013 . 1 . . . . . 142 H HA . 50410 1 1494 . 1 . 1 142 142 HIS HB2 H 1 3.089 0.025 . 2 . . . . . 142 H HB2 . 50410 1 1495 . 1 . 1 142 142 HIS HB3 H 1 2.984 0.009 . 2 . . . . . 142 H HB3 . 50410 1 1496 . 1 . 1 142 142 HIS C C 13 173.953 0.007 . 1 . . . . . 142 H C . 50410 1 1497 . 1 . 1 142 142 HIS CA C 13 56.060 0.064 . 1 . . . . . 142 H CA . 50410 1 1498 . 1 . 1 142 142 HIS CB C 13 30.552 0.106 . 1 . . . . . 142 H CB . 50410 1 1499 . 1 . 1 143 143 HIS H H 1 7.918 0.026 . 1 . . . . . 143 H H . 50410 1 1500 . 1 . 1 143 143 HIS HA H 1 4.381 0.013 . 1 . . . . . 143 H HA . 50410 1 1501 . 1 . 1 143 143 HIS HB2 H 1 3.136 0.017 . 2 . . . . . 143 H HB2 . 50410 1 1502 . 1 . 1 143 143 HIS HB3 H 1 3.020 0.014 . 2 . . . . . 143 H HB3 . 50410 1 1503 . 1 . 1 143 143 HIS C C 13 179.279 0.000 . 1 . . . . . 143 H C . 50410 1 1504 . 1 . 1 143 143 HIS CA C 13 57.418 0.084 . 1 . . . . . 143 H CA . 50410 1 1505 . 1 . 1 143 143 HIS CB C 13 30.641 0.045 . 1 . . . . . 143 H CB . 50410 1 1506 . 1 . 1 143 143 HIS N N 15 125.324 0.146 . 1 . . . . . 143 H N . 50410 1 stop_ save_