################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16635 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16635 1 3 '3D CBCA(CO)NH' . . . 16635 1 4 '3D HNCACB' . . . 16635 1 5 '3D HNCA' . . . 16635 1 6 '3D HN(CO)CA' . . . 16635 1 7 '3D HNCO' . . . 16635 1 9 '3D HCCH-TOCSY' . . . 16635 1 10 '3D 1H-15N NOESY' . . . 16635 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 1 $NMRPipe . . 16635 1 2 $NMRDraw . . 16635 1 3 $SPARKY . . 16635 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.934 0.004 . 2 2 . . . 2 G HA2 . 16635 1 2 . 1 1 1 1 GLY HA3 H 1 3.968 0.000 . 2 2 . . . 2 G HA3 . 16635 1 3 . 1 1 1 1 GLY C C 13 171.698 0.000 . 1 1 . . . 2 G C . 16635 1 4 . 1 1 1 1 GLY CA C 13 43.680 0.014 . 1 3 . . . 2 G CA . 16635 1 5 . 1 1 2 2 ILE H H 1 8.983 0.002 . 1 5 . . . 3 I H . 16635 1 6 . 1 1 2 2 ILE HA H 1 4.103 0.004 . 1 12 . . . 3 I HA . 16635 1 7 . 1 1 2 2 ILE HB H 1 1.830 0.001 . 1 12 . . . 3 I HB . 16635 1 8 . 1 1 2 2 ILE HD11 H 1 0.860 0.001 . . 10 . . . 3 I HD1 . 16635 1 9 . 1 1 2 2 ILE HD12 H 1 0.860 0.001 . . 10 . . . 3 I HD1 . 16635 1 10 . 1 1 2 2 ILE HD13 H 1 0.860 0.001 . . 10 . . . 3 I HD1 . 16635 1 11 . 1 1 2 2 ILE HG12 H 1 1.505 0.002 . 2 10 . . . 3 I HG12 . 16635 1 12 . 1 1 2 2 ILE HG13 H 1 1.298 0.001 . 2 10 . . . 3 I HG13 . 16635 1 13 . 1 1 2 2 ILE HG21 H 1 0.913 0.001 . . 10 . . . 3 I HG2 . 16635 1 14 . 1 1 2 2 ILE HG22 H 1 0.913 0.001 . . 10 . . . 3 I HG2 . 16635 1 15 . 1 1 2 2 ILE HG23 H 1 0.913 0.001 . . 10 . . . 3 I HG2 . 16635 1 16 . 1 1 2 2 ILE C C 13 176.333 0.000 . 1 1 . . . 3 I C . 16635 1 17 . 1 1 2 2 ILE CA C 13 61.603 0.010 . 1 7 . . . 3 I CA . 16635 1 18 . 1 1 2 2 ILE CB C 13 39.019 0.044 . 1 7 . . . 3 I CB . 16635 1 19 . 1 1 2 2 ILE CD1 C 13 14.143 0.010 . 1 5 . . . 3 I CD1 . 16635 1 20 . 1 1 2 2 ILE CG1 C 13 28.256 0.016 . 1 10 . . . 3 I CG1 . 16635 1 21 . 1 1 2 2 ILE CG2 C 13 18.580 0.009 . 1 5 . . . 3 I CG2 . 16635 1 22 . 1 1 2 2 ILE N N 15 121.345 0.018 . 1 5 . . . 3 I N . 16635 1 23 . 1 1 3 3 LYS H H 1 8.422 0.002 . 1 4 . . . 4 K H . 16635 1 24 . 1 1 3 3 LYS HA H 1 4.143 0.006 . 1 12 . . . 4 K HA . 16635 1 25 . 1 1 3 3 LYS HB2 H 1 1.795 0.002 . 2 9 . . . 4 K HB2 . 16635 1 26 . 1 1 3 3 LYS HB3 H 1 1.696 0.002 . 2 5 . . . 4 K HB3 . 16635 1 27 . 1 1 3 3 LYS HD2 H 1 1.632 0.002 . 2 3 . . . 4 K QD . 16635 1 28 . 1 1 3 3 LYS HD3 H 1 1.632 0.002 . 2 3 . . . 4 K QD . 16635 1 29 . 1 1 3 3 LYS HE2 H 1 2.929 0.003 . 2 10 . . . 4 K QE . 16635 1 30 . 1 1 3 3 LYS HE3 H 1 2.929 0.003 . 2 10 . . . 4 K QE . 16635 1 31 . 1 1 3 3 LYS HG2 H 1 1.449 0.002 . 2 7 . . . 4 K HG2 . 16635 1 32 . 1 1 3 3 LYS HG3 H 1 1.356 0.010 . 2 6 . . . 4 K HG3 . 16635 1 33 . 1 1 3 3 LYS C C 13 176.771 0.000 . 1 1 . . . 4 K C . 16635 1 34 . 1 1 3 3 LYS CA C 13 57.599 0.024 . 1 7 . . . 4 K CA . 16635 1 35 . 1 1 3 3 LYS CB C 13 31.533 0.010 . 1 9 . . . 4 K CB . 16635 1 36 . 1 1 3 3 LYS CD C 13 28.956 0.003 . 1 2 . . . 4 K CD . 16635 1 37 . 1 1 3 3 LYS CE C 13 42.091 0.005 . 1 4 . . . 4 K CE . 16635 1 38 . 1 1 3 3 LYS CG C 13 25.537 0.017 . 1 6 . . . 4 K CG . 16635 1 39 . 1 1 3 3 LYS N N 15 119.692 0.017 . 1 4 . . . 4 K N . 16635 1 40 . 1 1 4 4 GLN H H 1 7.824 0.002 . 1 4 . . . 5 Q H . 16635 1 41 . 1 1 4 4 GLN HA H 1 4.192 0.002 . 1 5 . . . 5 Q HA . 16635 1 42 . 1 1 4 4 GLN HB2 H 1 1.895 0.003 . 2 6 . . . 5 Q QB . 16635 1 43 . 1 1 4 4 GLN HB3 H 1 1.895 0.003 . 2 6 . . . 5 Q QB . 16635 1 44 . 1 1 4 4 GLN HE21 H 1 7.296 0.000 . 2 1 . . . 5 Q HE21 . 16635 1 45 . 1 1 4 4 GLN HE22 H 1 6.745 0.000 . 2 1 . . . 5 Q HE22 . 16635 1 46 . 1 1 4 4 GLN HG2 H 1 2.113 0.002 . 2 7 . . . 5 Q HG2 . 16635 1 47 . 1 1 4 4 GLN HG3 H 1 1.802 0.004 . 2 8 . . . 5 Q HG3 . 16635 1 48 . 1 1 4 4 GLN C C 13 175.902 0.000 . 1 1 . . . 5 Q C . 16635 1 49 . 1 1 4 4 GLN CA C 13 56.389 0.007 . 1 3 . . . 5 Q CA . 16635 1 50 . 1 1 4 4 GLN CB C 13 28.628 0.014 . 1 4 . . . 5 Q CB . 16635 1 51 . 1 1 4 4 GLN CG C 13 34.005 0.032 . 1 8 . . . 5 Q CG . 16635 1 52 . 1 1 4 4 GLN N N 15 117.063 0.014 . 1 4 . . . 5 Q N . 16635 1 53 . 1 1 4 4 GLN NE2 N 15 112.816 0.021 . 1 2 . . . 5 Q NE2 . 16635 1 54 . 1 1 5 5 TYR H H 1 7.274 0.002 . 1 4 . . . 6 Y H . 16635 1 55 . 1 1 5 5 TYR HA H 1 4.747 0.000 . 1 2 . . . 6 Y HA . 16635 1 56 . 1 1 5 5 TYR HB2 H 1 3.099 0.001 . 2 3 . . . 6 Y HB2 . 16635 1 57 . 1 1 5 5 TYR HB3 H 1 2.723 0.004 . 2 3 . . . 6 Y HB3 . 16635 1 58 . 1 1 5 5 TYR HD1 H 1 7.105 0.001 . 3 3 . . . 6 Y QD . 16635 1 59 . 1 1 5 5 TYR HD2 H 1 7.105 0.001 . 3 3 . . . 6 Y QD . 16635 1 60 . 1 1 5 5 TYR HE1 H 1 6.702 0.002 . 3 3 . . . 6 Y QE . 16635 1 61 . 1 1 5 5 TYR HE2 H 1 6.702 0.002 . 3 3 . . . 6 Y QE . 16635 1 62 . 1 1 5 5 TYR C C 13 176.234 0.000 . 1 1 . . . 6 Y C . 16635 1 63 . 1 1 5 5 TYR CA C 13 57.449 0.011 . 1 3 . . . 6 Y CA . 16635 1 64 . 1 1 5 5 TYR CB C 13 39.779 0.067 . 1 3 . . . 6 Y CB . 16635 1 65 . 1 1 5 5 TYR CD1 C 13 133.104 0.018 . . 2 . . . 6 Y CD# . 16635 1 66 . 1 1 5 5 TYR CD2 C 13 133.104 0.018 . . 2 . . . 6 Y CD# . 16635 1 67 . 1 1 5 5 TYR CE1 C 13 118.166 0.012 . . 2 . . . 6 Y CE# . 16635 1 68 . 1 1 5 5 TYR CE2 C 13 118.166 0.012 . . 2 . . . 6 Y CE# . 16635 1 69 . 1 1 5 5 TYR N N 15 119.740 0.014 . 1 4 . . . 6 Y N . 16635 1 70 . 1 1 6 6 SER H H 1 9.328 0.001 . 1 4 . . . 7 S H . 16635 1 71 . 1 1 6 6 SER HA H 1 4.587 0.003 . 1 3 . . . 7 S HA . 16635 1 72 . 1 1 6 6 SER HB2 H 1 4.475 0.083 . 2 3 . . . 7 S HB2 . 16635 1 73 . 1 1 6 6 SER HB3 H 1 4.078 0.000 . 2 2 . . . 7 S HB3 . 16635 1 74 . 1 1 6 6 SER C C 13 175.150 0.000 . 1 1 . . . 7 S C . 16635 1 75 . 1 1 6 6 SER CA C 13 57.086 0.057 . 1 3 . . . 7 S CA . 16635 1 76 . 1 1 6 6 SER CB C 13 65.456 0.009 . 1 3 . . . 7 S CB . 16635 1 77 . 1 1 6 6 SER N N 15 118.940 0.024 . 1 4 . . . 7 S N . 16635 1 78 . 1 1 7 7 GLN H H 1 9.045 0.002 . 1 4 . . . 8 Q H . 16635 1 79 . 1 1 7 7 GLN HA H 1 3.943 0.004 . 1 8 . . . 8 Q HA . 16635 1 80 . 1 1 7 7 GLN HB2 H 1 2.142 0.002 . 2 5 . . . 8 Q HB2 . 16635 1 81 . 1 1 7 7 GLN HB3 H 1 2.071 0.005 . 2 5 . . . 8 Q HB3 . 16635 1 82 . 1 1 7 7 GLN HE21 H 1 7.372 0.000 . 2 1 . . . 8 Q HE21 . 16635 1 83 . 1 1 7 7 GLN HE22 H 1 6.963 0.000 . 2 1 . . . 8 Q HE22 . 16635 1 84 . 1 1 7 7 GLN HG2 H 1 2.521 0.004 . 2 10 . . . 8 Q HG2 . 16635 1 85 . 1 1 7 7 GLN HG3 H 1 2.341 0.008 . 2 8 . . . 8 Q HG3 . 16635 1 86 . 1 1 7 7 GLN C C 13 178.141 0.000 . 1 1 . . . 8 Q C . 16635 1 87 . 1 1 7 7 GLN CA C 13 59.960 0.044 . 1 5 . . . 8 Q CA . 16635 1 88 . 1 1 7 7 GLN CB C 13 28.764 0.040 . 1 5 . . . 8 Q CB . 16635 1 89 . 1 1 7 7 GLN CG C 13 34.545 0.028 . 1 10 . . . 8 Q CG . 16635 1 90 . 1 1 7 7 GLN N N 15 121.362 0.011 . 1 4 . . . 8 Q N . 16635 1 91 . 1 1 7 7 GLN NE2 N 15 111.666 0.003 . 1 2 . . . 8 Q NE2 . 16635 1 92 . 1 1 8 8 GLU H H 1 8.559 0.001 . 1 4 . . . 9 E H . 16635 1 93 . 1 1 8 8 GLU HA H 1 3.889 0.003 . 1 8 . . . 9 E HA . 16635 1 94 . 1 1 8 8 GLU HB2 H 1 2.018 0.002 . 2 5 . . . 9 E HB2 . 16635 1 95 . 1 1 8 8 GLU HB3 H 1 1.950 0.005 . 2 4 . . . 9 E HB3 . 16635 1 96 . 1 1 8 8 GLU HG2 H 1 2.394 0.005 . 2 9 . . . 9 E HG2 . 16635 1 97 . 1 1 8 8 GLU HG3 H 1 2.278 0.003 . 2 5 . . . 9 E HG3 . 16635 1 98 . 1 1 8 8 GLU C C 13 179.176 0.000 . 1 1 . . . 9 E C . 16635 1 99 . 1 1 8 8 GLU CA C 13 60.175 0.013 . 1 5 . . . 9 E CA . 16635 1 100 . 1 1 8 8 GLU CB C 13 28.685 0.052 . 1 5 . . . 9 E CB . 16635 1 101 . 1 1 8 8 GLU CG C 13 37.010 0.024 . 1 8 . . . 9 E CG . 16635 1 102 . 1 1 8 8 GLU N N 15 117.075 0.016 . 1 4 . . . 9 E N . 16635 1 103 . 1 1 9 9 GLU H H 1 7.669 0.001 . 1 4 . . . 10 E H . 16635 1 104 . 1 1 9 9 GLU HA H 1 3.962 0.003 . 1 7 . . . 10 E HA . 16635 1 105 . 1 1 9 9 GLU HB2 H 1 2.419 0.004 . 2 8 . . . 10 E HB2 . 16635 1 106 . 1 1 9 9 GLU HB3 H 1 1.911 0.004 . 2 6 . . . 10 E HB3 . 16635 1 107 . 1 1 9 9 GLU HG2 H 1 2.293 0.003 . 2 5 . . . 10 E QG . 16635 1 108 . 1 1 9 9 GLU HG3 H 1 2.293 0.003 . 2 5 . . . 10 E QG . 16635 1 109 . 1 1 9 9 GLU C C 13 180.130 0.000 . 1 1 . . . 10 E C . 16635 1 110 . 1 1 9 9 GLU CA C 13 58.987 0.045 . 1 4 . . . 10 E CA . 16635 1 111 . 1 1 9 9 GLU CB C 13 30.082 0.052 . 1 8 . . . 10 E CB . 16635 1 112 . 1 1 9 9 GLU CG C 13 37.607 0.004 . 1 3 . . . 10 E CG . 16635 1 113 . 1 1 9 9 GLU N N 15 119.186 0.026 . 1 4 . . . 10 E N . 16635 1 114 . 1 1 10 10 LEU H H 1 8.176 0.001 . 1 4 . . . 11 L H . 16635 1 115 . 1 1 10 10 LEU HA H 1 3.897 0.003 . 1 11 . . . 11 L HA . 16635 1 116 . 1 1 10 10 LEU HB2 H 1 1.844 0.006 . 2 11 . . . 11 L HB2 . 16635 1 117 . 1 1 10 10 LEU HB3 H 1 1.228 0.001 . 2 5 . . . 11 L HB3 . 16635 1 118 . 1 1 10 10 LEU HD11 H 1 0.812 0.002 . 2 10 . . . 11 L MD1 . 16635 1 119 . 1 1 10 10 LEU HD12 H 1 0.812 0.002 . 2 10 . . . 11 L MD1 . 16635 1 120 . 1 1 10 10 LEU HD13 H 1 0.812 0.002 . 2 10 . . . 11 L MD1 . 16635 1 121 . 1 1 10 10 LEU HD21 H 1 0.752 0.004 . 2 10 . . . 11 L MD2 . 16635 1 122 . 1 1 10 10 LEU HD22 H 1 0.752 0.004 . 2 10 . . . 11 L MD2 . 16635 1 123 . 1 1 10 10 LEU HD23 H 1 0.752 0.004 . 2 10 . . . 11 L MD2 . 16635 1 124 . 1 1 10 10 LEU HG H 1 1.694 0.008 . 1 11 . . . 11 L HG . 16635 1 125 . 1 1 10 10 LEU C C 13 178.919 0.000 . 1 1 . . . 11 L C . 16635 1 126 . 1 1 10 10 LEU CA C 13 57.910 0.033 . 1 7 . . . 11 L CA . 16635 1 127 . 1 1 10 10 LEU CB C 13 42.253 0.069 . 1 7 . . . 11 L CB . 16635 1 128 . 1 1 10 10 LEU CD1 C 13 26.358 0.014 . 2 6 . . . 11 L CD1 . 16635 1 129 . 1 1 10 10 LEU CD2 C 13 24.194 0.055 . 2 5 . . . 11 L CD2 . 16635 1 130 . 1 1 10 10 LEU CG C 13 26.908 0.063 . 1 6 . . . 11 L CG . 16635 1 131 . 1 1 10 10 LEU N N 15 120.130 0.017 . 1 4 . . . 11 L N . 16635 1 132 . 1 1 11 11 LYS H H 1 7.643 0.002 . 1 4 . . . 12 K H . 16635 1 133 . 1 1 11 11 LYS HA H 1 3.846 0.002 . 1 11 . . . 12 K HA . 16635 1 134 . 1 1 11 11 LYS HB2 H 1 1.893 0.003 . 2 7 . . . 12 K HB2 . 16635 1 135 . 1 1 11 11 LYS HB3 H 1 1.854 0.002 . 2 7 . . . 12 K HB3 . 16635 1 136 . 1 1 11 11 LYS HD2 H 1 1.656 0.004 . 2 7 . . . 12 K QD . 16635 1 137 . 1 1 11 11 LYS HD3 H 1 1.656 0.004 . 2 7 . . . 12 K QD . 16635 1 138 . 1 1 11 11 LYS HE2 H 1 2.930 0.001 . 2 7 . . . 12 K QE . 16635 1 139 . 1 1 11 11 LYS HE3 H 1 2.930 0.001 . 2 7 . . . 12 K QE . 16635 1 140 . 1 1 11 11 LYS HG2 H 1 1.640 0.002 . 2 6 . . . 12 K HG2 . 16635 1 141 . 1 1 11 11 LYS HG3 H 1 1.440 0.004 . 2 5 . . . 12 K HG3 . 16635 1 142 . 1 1 11 11 LYS C C 13 177.277 0.000 . 1 1 . . . 12 K C . 16635 1 143 . 1 1 11 11 LYS CA C 13 59.012 0.014 . 1 6 . . . 12 K CA . 16635 1 144 . 1 1 11 11 LYS CB C 13 32.663 0.062 . 1 7 . . . 12 K CB . 16635 1 145 . 1 1 11 11 LYS CD C 13 29.682 0.027 . 1 3 . . . 12 K CD . 16635 1 146 . 1 1 11 11 LYS CE C 13 42.191 0.014 . 1 2 . . . 12 K CE . 16635 1 147 . 1 1 11 11 LYS CG C 13 25.963 0.020 . 1 9 . . . 12 K CG . 16635 1 148 . 1 1 11 11 LYS N N 15 115.085 0.019 . 1 4 . . . 12 K N . 16635 1 149 . 1 1 12 12 GLU H H 1 7.073 0.002 . 1 4 . . . 13 E H . 16635 1 150 . 1 1 12 12 GLU HA H 1 4.354 0.001 . 1 6 . . . 13 E HA . 16635 1 151 . 1 1 12 12 GLU HB2 H 1 2.228 0.002 . 2 5 . . . 13 E HB2 . 16635 1 152 . 1 1 12 12 GLU HB3 H 1 1.813 0.011 . 2 6 . . . 13 E HB3 . 16635 1 153 . 1 1 12 12 GLU HG2 H 1 2.348 0.006 . 2 6 . . . 13 E HG2 . 16635 1 154 . 1 1 12 12 GLU HG3 H 1 2.221 0.001 . 2 3 . . . 13 E HG3 . 16635 1 155 . 1 1 12 12 GLU C C 13 176.501 0.000 . 1 1 . . . 13 E C . 16635 1 156 . 1 1 12 12 GLU CA C 13 55.504 0.023 . 1 4 . . . 13 E CA . 16635 1 157 . 1 1 12 12 GLU CB C 13 30.382 0.074 . 1 6 . . . 13 E CB . 16635 1 158 . 1 1 12 12 GLU CG C 13 35.864 0.028 . 1 5 . . . 13 E CG . 16635 1 159 . 1 1 12 12 GLU N N 15 115.043 0.009 . 1 4 . . . 13 E N . 16635 1 160 . 1 1 13 13 MET H H 1 7.293 0.001 . 1 4 . . . 14 M H . 16635 1 161 . 1 1 13 13 MET HA H 1 4.163 0.004 . 1 4 . . . 14 M HA . 16635 1 162 . 1 1 13 13 MET HB2 H 1 1.919 0.003 . 2 6 . . . 14 M QB . 16635 1 163 . 1 1 13 13 MET HB3 H 1 1.919 0.003 . 2 6 . . . 14 M QB . 16635 1 164 . 1 1 13 13 MET HE1 H 1 1.452 0.000 . 1 1 . . . 14 M ME . 16635 1 165 . 1 1 13 13 MET HE2 H 1 1.452 0.000 . 1 1 . . . 14 M ME . 16635 1 166 . 1 1 13 13 MET HE3 H 1 1.452 0.000 . 1 1 . . . 14 M ME . 16635 1 167 . 1 1 13 13 MET HG2 H 1 2.554 0.001 . 2 6 . . . 14 M HG2 . 16635 1 168 . 1 1 13 13 MET HG3 H 1 2.399 0.003 . 2 6 . . . 14 M HG3 . 16635 1 169 . 1 1 13 13 MET C C 13 175.466 0.000 . 1 1 . . . 14 M C . 16635 1 170 . 1 1 13 13 MET CA C 13 56.048 0.023 . 1 3 . . . 14 M CA . 16635 1 171 . 1 1 13 13 MET CB C 13 34.625 0.023 . 1 4 . . . 14 M CB . 16635 1 172 . 1 1 13 13 MET CE C 13 15.781 0.000 . 1 1 . . . 14 M CE . 16635 1 173 . 1 1 13 13 MET CG C 13 32.183 0.018 . 1 6 . . . 14 M CG . 16635 1 174 . 1 1 13 13 MET N N 15 120.384 0.028 . 1 4 . . . 14 M N . 16635 1 175 . 1 1 14 14 ALA H H 1 8.642 0.001 . 1 4 . . . 15 A H . 16635 1 176 . 1 1 14 14 ALA HA H 1 4.263 0.006 . 1 4 . . . 15 A HA . 16635 1 177 . 1 1 14 14 ALA HB1 H 1 1.507 0.003 . 1 4 . . . 15 A MB . 16635 1 178 . 1 1 14 14 ALA HB2 H 1 1.507 0.003 . 1 4 . . . 15 A MB . 16635 1 179 . 1 1 14 14 ALA HB3 H 1 1.507 0.003 . 1 4 . . . 15 A MB . 16635 1 180 . 1 1 14 14 ALA C C 13 179.511 0.000 . 1 1 . . . 15 A C . 16635 1 181 . 1 1 14 14 ALA CA C 13 51.871 0.082 . 1 3 . . . 15 A CA . 16635 1 182 . 1 1 14 14 ALA CB C 13 18.764 0.047 . 1 3 . . . 15 A CB . 16635 1 183 . 1 1 14 14 ALA N N 15 124.835 0.011 . 1 4 . . . 15 A N . 16635 1 184 . 1 1 15 15 LEU H H 1 8.485 0.002 . 1 4 . . . 16 L H . 16635 1 185 . 1 1 15 15 LEU HA H 1 3.645 0.001 . 1 12 . . . 16 L HA . 16635 1 186 . 1 1 15 15 LEU HB2 H 1 1.405 0.001 . 2 10 . . . 16 L HB2 . 16635 1 187 . 1 1 15 15 LEU HB3 H 1 0.331 0.004 . 2 12 . . . 16 L HB3 . 16635 1 188 . 1 1 15 15 LEU HD11 H 1 0.547 0.006 . 2 12 . . . 16 L MD1 . 16635 1 189 . 1 1 15 15 LEU HD12 H 1 0.547 0.006 . 2 12 . . . 16 L MD1 . 16635 1 190 . 1 1 15 15 LEU HD13 H 1 0.547 0.006 . 2 12 . . . 16 L MD1 . 16635 1 191 . 1 1 15 15 LEU HD21 H 1 0.505 0.004 . 2 12 . . . 16 L MD2 . 16635 1 192 . 1 1 15 15 LEU HD22 H 1 0.505 0.004 . 2 12 . . . 16 L MD2 . 16635 1 193 . 1 1 15 15 LEU HD23 H 1 0.505 0.004 . 2 12 . . . 16 L MD2 . 16635 1 194 . 1 1 15 15 LEU HG H 1 1.644 0.003 . 1 10 . . . 16 L HG . 16635 1 195 . 1 1 15 15 LEU C C 13 179.329 0.000 . 1 1 . . . 16 L C . 16635 1 196 . 1 1 15 15 LEU CA C 13 58.946 0.022 . 1 7 . . . 16 L CA . 16635 1 197 . 1 1 15 15 LEU CB C 13 39.864 0.028 . 1 12 . . . 16 L CB . 16635 1 198 . 1 1 15 15 LEU CD1 C 13 25.117 0.030 . 2 6 . . . 16 L CD1 . 16635 1 199 . 1 1 15 15 LEU CD2 C 13 22.746 0.038 . 2 6 . . . 16 L CD2 . 16635 1 200 . 1 1 15 15 LEU CG C 13 27.349 0.023 . 1 5 . . . 16 L CG . 16635 1 201 . 1 1 15 15 LEU N N 15 123.065 0.038 . 1 4 . . . 16 L N . 16635 1 202 . 1 1 16 16 VAL H H 1 8.885 0.002 . 1 4 . . . 17 V H . 16635 1 203 . 1 1 16 16 VAL HA H 1 3.910 0.002 . 1 6 . . . 17 V HA . 16635 1 204 . 1 1 16 16 VAL HB H 1 2.263 0.001 . 1 6 . . . 17 V HB . 16635 1 205 . 1 1 16 16 VAL HG11 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 206 . 1 1 16 16 VAL HG12 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 207 . 1 1 16 16 VAL HG13 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 208 . 1 1 16 16 VAL HG21 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 209 . 1 1 16 16 VAL HG22 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 210 . 1 1 16 16 VAL HG23 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 211 . 1 1 16 16 VAL C C 13 176.597 0.000 . 1 1 . . . 17 V C . 16635 1 212 . 1 1 16 16 VAL CA C 13 65.700 0.006 . 1 4 . . . 17 V CA . 16635 1 213 . 1 1 16 16 VAL CB C 13 31.709 0.054 . 1 4 . . . 17 V CB . 16635 1 214 . 1 1 16 16 VAL CG1 C 13 21.579 0.030 . . 3 . . . 17 V CG# . 16635 1 215 . 1 1 16 16 VAL CG2 C 13 21.579 0.030 . . 3 . . . 17 V CG# . 16635 1 216 . 1 1 16 16 VAL N N 15 113.897 0.015 . 1 4 . . . 17 V N . 16635 1 217 . 1 1 17 17 GLU H H 1 7.083 0.002 . 1 4 . . . 18 E H . 16635 1 218 . 1 1 17 17 GLU HA H 1 4.468 0.003 . 1 10 . . . 18 E HA . 16635 1 219 . 1 1 17 17 GLU HB2 H 1 2.191 0.010 . 2 3 . . . 18 E HB2 . 16635 1 220 . 1 1 17 17 GLU HB3 H 1 2.081 0.000 . 2 3 . . . 18 E HB3 . 16635 1 221 . 1 1 17 17 GLU HG2 H 1 2.529 0.002 . 2 8 . . . 18 E HG2 . 16635 1 222 . 1 1 17 17 GLU HG3 H 1 2.320 0.003 . 2 4 . . . 18 E HG3 . 16635 1 223 . 1 1 17 17 GLU C C 13 179.610 0.000 . 1 1 . . . 18 E C . 16635 1 224 . 1 1 17 17 GLU CA C 13 57.706 0.009 . 1 6 . . . 18 E CA . 16635 1 225 . 1 1 17 17 GLU CB C 13 28.597 0.026 . 1 5 . . . 18 E CB . 16635 1 226 . 1 1 17 17 GLU CG C 13 35.921 0.007 . 1 5 . . . 18 E CG . 16635 1 227 . 1 1 17 17 GLU N N 15 119.792 0.015 . 1 4 . . . 18 E N . 16635 1 228 . 1 1 18 18 ILE H H 1 7.529 0.002 . 1 4 . . . 19 I H . 16635 1 229 . 1 1 18 18 ILE HA H 1 3.413 0.000 . 1 8 . . . 19 I HA . 16635 1 230 . 1 1 18 18 ILE HB H 1 1.783 0.006 . 1 10 . . . 19 I HB . 16635 1 231 . 1 1 18 18 ILE HD11 H 1 0.775 0.004 . . 10 . . . 19 I HD1 . 16635 1 232 . 1 1 18 18 ILE HD12 H 1 0.775 0.004 . . 10 . . . 19 I HD1 . 16635 1 233 . 1 1 18 18 ILE HD13 H 1 0.775 0.004 . . 10 . . . 19 I HD1 . 16635 1 234 . 1 1 18 18 ILE HG12 H 1 1.638 0.004 . 2 7 . . . 19 I HG12 . 16635 1 235 . 1 1 18 18 ILE HG13 H 1 0.773 0.002 . 2 6 . . . 19 I HG13 . 16635 1 236 . 1 1 18 18 ILE HG21 H 1 0.734 0.003 . . 11 . . . 19 I HG2 . 16635 1 237 . 1 1 18 18 ILE HG22 H 1 0.734 0.003 . . 11 . . . 19 I HG2 . 16635 1 238 . 1 1 18 18 ILE HG23 H 1 0.734 0.003 . . 11 . . . 19 I HG2 . 16635 1 239 . 1 1 18 18 ILE C C 13 178.057 0.000 . 1 1 . . . 19 I C . 16635 1 240 . 1 1 18 18 ILE CA C 13 65.960 0.083 . 1 4 . . . 19 I CA . 16635 1 241 . 1 1 18 18 ILE CB C 13 37.779 0.023 . 1 6 . . . 19 I CB . 16635 1 242 . 1 1 18 18 ILE CD1 C 13 13.800 0.006 . 1 5 . . . 19 I CD1 . 16635 1 243 . 1 1 18 18 ILE CG1 C 13 28.821 0.008 . 1 8 . . . 19 I CG1 . 16635 1 244 . 1 1 18 18 ILE CG2 C 13 18.423 0.009 . 1 5 . . . 19 I CG2 . 16635 1 245 . 1 1 18 18 ILE N N 15 120.036 0.017 . 1 4 . . . 19 I N . 16635 1 246 . 1 1 19 19 ALA H H 1 8.602 0.001 . 1 4 . . . 20 A H . 16635 1 247 . 1 1 19 19 ALA HA H 1 3.765 0.003 . 1 4 . . . 20 A HA . 16635 1 248 . 1 1 19 19 ALA HB1 H 1 1.529 0.003 . 1 4 . . . 20 A MB . 16635 1 249 . 1 1 19 19 ALA HB2 H 1 1.529 0.003 . 1 4 . . . 20 A MB . 16635 1 250 . 1 1 19 19 ALA HB3 H 1 1.529 0.003 . 1 4 . . . 20 A MB . 16635 1 251 . 1 1 19 19 ALA C C 13 177.882 0.000 . 1 1 . . . 20 A C . 16635 1 252 . 1 1 19 19 ALA CA C 13 55.352 0.032 . 1 3 . . . 20 A CA . 16635 1 253 . 1 1 19 19 ALA CB C 13 17.975 0.025 . 1 3 . . . 20 A CB . 16635 1 254 . 1 1 19 19 ALA N N 15 119.118 0.020 . 1 4 . . . 20 A N . 16635 1 255 . 1 1 20 20 HIS H H 1 8.498 0.002 . 1 4 . . . 21 H H . 16635 1 256 . 1 1 20 20 HIS HA H 1 4.129 0.001 . 1 4 . . . 21 H HA . 16635 1 257 . 1 1 20 20 HIS HB2 H 1 3.537 0.002 . 2 4 . . . 21 H HB2 . 16635 1 258 . 1 1 20 20 HIS HB3 H 1 3.455 0.002 . 2 4 . . . 21 H HB3 . 16635 1 259 . 1 1 20 20 HIS HD2 H 1 6.220 0.005 . 1 5 . . . 21 H HD2 . 16635 1 260 . 1 1 20 20 HIS HE1 H 1 7.896 0.007 . 1 3 . . . 21 H HE1 . 16635 1 261 . 1 1 20 20 HIS C C 13 176.740 0.000 . 1 1 . . . 21 H C . 16635 1 262 . 1 1 20 20 HIS CA C 13 63.148 0.009 . 1 3 . . . 21 H CA . 16635 1 263 . 1 1 20 20 HIS CB C 13 28.749 0.061 . 1 5 . . . 21 H CB . 16635 1 264 . 1 1 20 20 HIS CD2 C 13 123.279 0.015 . 1 3 . . . 21 H CD2 . 16635 1 265 . 1 1 20 20 HIS CE1 C 13 138.187 0.024 . 1 2 . . . 21 H CE1 . 16635 1 266 . 1 1 20 20 HIS N N 15 115.835 0.028 . 1 4 . . . 21 H N . 16635 1 267 . 1 1 21 21 GLU H H 1 7.819 0.002 . 1 4 . . . 22 E H . 16635 1 268 . 1 1 21 21 GLU HA H 1 4.211 0.003 . 1 5 . . . 22 E HA . 16635 1 269 . 1 1 21 21 GLU HB2 H 1 2.166 0.003 . 2 3 . . . 22 E QB . 16635 1 270 . 1 1 21 21 GLU HB3 H 1 2.166 0.003 . 2 3 . . . 22 E QB . 16635 1 271 . 1 1 21 21 GLU HG2 H 1 2.606 0.001 . 2 7 . . . 22 E HG2 . 16635 1 272 . 1 1 21 21 GLU HG3 H 1 2.373 0.006 . 2 3 . . . 22 E HG3 . 16635 1 273 . 1 1 21 21 GLU C C 13 180.209 0.000 . 1 1 . . . 22 E C . 16635 1 274 . 1 1 21 21 GLU CA C 13 59.188 0.023 . 1 4 . . . 22 E CA . 16635 1 275 . 1 1 21 21 GLU CB C 13 29.511 0.035 . 1 3 . . . 22 E CB . 16635 1 276 . 1 1 21 21 GLU CG C 13 36.020 0.010 . 1 4 . . . 22 E CG . 16635 1 277 . 1 1 21 21 GLU N N 15 116.408 0.009 . 1 4 . . . 22 E N . 16635 1 278 . 1 1 22 22 LEU H H 1 8.526 0.001 . 1 4 . . . 23 L H . 16635 1 279 . 1 1 22 22 LEU HA H 1 4.016 0.008 . 1 11 . . . 23 L HA . 16635 1 280 . 1 1 22 22 LEU HB2 H 1 1.848 0.004 . 2 11 . . . 23 L HB2 . 16635 1 281 . 1 1 22 22 LEU HB3 H 1 1.315 0.002 . 2 5 . . . 23 L HB3 . 16635 1 282 . 1 1 22 22 LEU HD11 H 1 0.799 0.002 . 2 11 . . . 23 L MD1 . 16635 1 283 . 1 1 22 22 LEU HD12 H 1 0.799 0.002 . 2 11 . . . 23 L MD1 . 16635 1 284 . 1 1 22 22 LEU HD13 H 1 0.799 0.002 . 2 11 . . . 23 L MD1 . 16635 1 285 . 1 1 22 22 LEU HD21 H 1 0.693 0.005 . 2 11 . . . 23 L MD2 . 16635 1 286 . 1 1 22 22 LEU HD22 H 1 0.693 0.005 . 2 11 . . . 23 L MD2 . 16635 1 287 . 1 1 22 22 LEU HD23 H 1 0.693 0.005 . 2 11 . . . 23 L MD2 . 16635 1 288 . 1 1 22 22 LEU HG H 1 1.690 0.010 . 1 11 . . . 23 L HG . 16635 1 289 . 1 1 22 22 LEU C C 13 179.842 0.000 . 1 1 . . . 23 L C . 16635 1 290 . 1 1 22 22 LEU CA C 13 58.181 0.047 . 1 7 . . . 23 L CA . 16635 1 291 . 1 1 22 22 LEU CB C 13 41.741 0.149 . 1 7 . . . 23 L CB . 16635 1 292 . 1 1 22 22 LEU CD1 C 13 23.056 0.038 . 2 6 . . . 23 L CD1 . 16635 1 293 . 1 1 22 22 LEU CD2 C 13 26.331 0.050 . 2 6 . . . 23 L CD2 . 16635 1 294 . 1 1 22 22 LEU CG C 13 26.665 0.073 . 1 6 . . . 23 L CG . 16635 1 295 . 1 1 22 22 LEU N N 15 121.681 0.033 . 1 4 . . . 23 L N . 16635 1 296 . 1 1 23 23 PHE H H 1 8.718 0.001 . 1 4 . . . 24 F H . 16635 1 297 . 1 1 23 23 PHE HA H 1 4.768 0.000 . 1 2 . . . 24 F HA . 16635 1 298 . 1 1 23 23 PHE HB2 H 1 3.234 0.009 . 2 4 . . . 24 F HB2 . 16635 1 299 . 1 1 23 23 PHE HB3 H 1 3.113 0.004 . 2 2 . . . 24 F HB3 . 16635 1 300 . 1 1 23 23 PHE HD1 H 1 7.468 0.005 . 3 4 . . . 24 F QD . 16635 1 301 . 1 1 23 23 PHE HD2 H 1 7.468 0.005 . 3 4 . . . 24 F QD . 16635 1 302 . 1 1 23 23 PHE HE1 H 1 7.068 0.003 . 3 3 . . . 24 F QE . 16635 1 303 . 1 1 23 23 PHE HE2 H 1 7.068 0.003 . 3 3 . . . 24 F QE . 16635 1 304 . 1 1 23 23 PHE HZ H 1 7.266 0.002 . 1 2 . . . 24 F HZ . 16635 1 305 . 1 1 23 23 PHE C C 13 179.263 0.000 . 1 1 . . . 24 F C . 16635 1 306 . 1 1 23 23 PHE CA C 13 61.747 0.002 . 1 3 . . . 24 F CA . 16635 1 307 . 1 1 23 23 PHE CB C 13 38.397 0.051 . 1 3 . . . 24 F CB . 16635 1 308 . 1 1 23 23 PHE CD1 C 13 129.246 0.046 . . 2 . . . 24 F CD# . 16635 1 309 . 1 1 23 23 PHE CD2 C 13 129.246 0.046 . . 2 . . . 24 F CD# . 16635 1 310 . 1 1 23 23 PHE CE1 C 13 130.530 0.090 . . 2 . . . 24 F CE# . 16635 1 311 . 1 1 23 23 PHE CE2 C 13 130.530 0.090 . . 2 . . . 24 F CE# . 16635 1 312 . 1 1 23 23 PHE CZ C 13 129.720 0.099 . 1 2 . . . 24 F CZ . 16635 1 313 . 1 1 23 23 PHE N N 15 119.068 0.023 . 1 4 . . . 24 F N . 16635 1 314 . 1 1 24 24 GLU H H 1 8.143 0.002 . 1 4 . . . 25 E H . 16635 1 315 . 1 1 24 24 GLU HA H 1 4.416 0.002 . 1 5 . . . 25 E HA . 16635 1 316 . 1 1 24 24 GLU HB2 H 1 2.082 0.005 . 2 4 . . . 25 E QB . 16635 1 317 . 1 1 24 24 GLU HB3 H 1 2.082 0.005 . 2 4 . . . 25 E QB . 16635 1 318 . 1 1 24 24 GLU HG2 H 1 2.292 0.002 . 2 3 . . . 25 E QG . 16635 1 319 . 1 1 24 24 GLU HG3 H 1 2.292 0.002 . 2 3 . . . 25 E QG . 16635 1 320 . 1 1 24 24 GLU C C 13 178.052 0.000 . 1 1 . . . 25 E C . 16635 1 321 . 1 1 24 24 GLU CA C 13 59.351 0.026 . 1 4 . . . 25 E CA . 16635 1 322 . 1 1 24 24 GLU CB C 13 29.545 0.007 . 1 3 . . . 25 E CB . 16635 1 323 . 1 1 24 24 GLU CG C 13 36.459 0.000 . 1 1 . . . 25 E CG . 16635 1 324 . 1 1 24 24 GLU N N 15 118.350 0.012 . 1 4 . . . 25 E N . 16635 1 325 . 1 1 25 25 GLU H H 1 7.686 0.000 . 1 4 . . . 26 E H . 16635 1 326 . 1 1 25 25 GLU HA H 1 4.211 0.004 . 1 8 . . . 26 E HA . 16635 1 327 . 1 1 25 25 GLU HB2 H 1 2.067 0.003 . 2 3 . . . 26 E HB2 . 16635 1 328 . 1 1 25 25 GLU HB3 H 1 1.941 0.003 . 2 5 . . . 26 E HB3 . 16635 1 329 . 1 1 25 25 GLU HG2 H 1 2.151 0.001 . 2 2 . . . 26 E QG . 16635 1 330 . 1 1 25 25 GLU HG3 H 1 2.151 0.001 . 2 2 . . . 26 E QG . 16635 1 331 . 1 1 25 25 GLU C C 13 178.055 0.000 . 1 1 . . . 26 E C . 16635 1 332 . 1 1 25 25 GLU CA C 13 58.382 0.032 . 1 5 . . . 26 E CA . 16635 1 333 . 1 1 25 25 GLU CB C 13 30.122 0.016 . 1 5 . . . 26 E CB . 16635 1 334 . 1 1 25 25 GLU CG C 13 36.023 0.000 . 1 1 . . . 26 E CG . 16635 1 335 . 1 1 25 25 GLU N N 15 117.485 0.013 . 1 4 . . . 26 E N . 16635 1 336 . 1 1 26 26 HIS H H 1 8.550 0.001 . 1 4 . . . 27 H H . 16635 1 337 . 1 1 26 26 HIS HA H 1 4.627 0.001 . 1 4 . . . 27 H HA . 16635 1 338 . 1 1 26 26 HIS HB2 H 1 3.531 0.003 . 2 4 . . . 27 H HB2 . 16635 1 339 . 1 1 26 26 HIS HB3 H 1 3.253 0.010 . 2 4 . . . 27 H HB3 . 16635 1 340 . 1 1 26 26 HIS HD2 H 1 7.090 0.000 . 1 3 . . . 27 H HD2 . 16635 1 341 . 1 1 26 26 HIS HE1 H 1 8.265 0.001 . 1 2 . . . 27 H HE1 . 16635 1 342 . 1 1 26 26 HIS C C 13 176.461 0.000 . 1 1 . . . 27 H C . 16635 1 343 . 1 1 26 26 HIS CA C 13 57.500 0.010 . 1 3 . . . 27 H CA . 16635 1 344 . 1 1 26 26 HIS CB C 13 30.678 0.050 . 1 5 . . . 27 H CB . 16635 1 345 . 1 1 26 26 HIS CD2 C 13 82.597 53.394 . 1 3 . . . 27 H CD2 . 16635 1 346 . 1 1 26 26 HIS CE1 C 13 137.643 0.000 . 1 2 . . . 27 H CE1 . 16635 1 347 . 1 1 26 26 HIS N N 15 116.341 0.034 . 1 4 . . . 27 H N . 16635 1 348 . 1 1 27 27 LYS H H 1 8.893 0.001 . 1 4 . . . 28 K H . 16635 1 349 . 1 1 27 27 LYS HA H 1 3.753 0.001 . 1 14 . . . 28 K HA . 16635 1 350 . 1 1 27 27 LYS HB2 H 1 1.725 0.004 . 2 4 . . . 28 K HB2 . 16635 1 351 . 1 1 27 27 LYS HB3 H 1 1.559 0.002 . 2 5 . . . 28 K HB3 . 16635 1 352 . 1 1 27 27 LYS HD2 H 1 1.628 0.003 . 2 4 . . . 28 K HD2 . 16635 1 353 . 1 1 27 27 LYS HD3 H 1 1.482 0.004 . 2 7 . . . 28 K HD3 . 16635 1 354 . 1 1 27 27 LYS HE2 H 1 2.991 0.002 . 2 6 . . . 28 K QE . 16635 1 355 . 1 1 27 27 LYS HE3 H 1 2.991 0.002 . 2 6 . . . 28 K QE . 16635 1 356 . 1 1 27 27 LYS HG2 H 1 1.201 0.003 . 2 14 . . . 28 K QG . 16635 1 357 . 1 1 27 27 LYS HG3 H 1 1.201 0.003 . 2 14 . . . 28 K QG . 16635 1 358 . 1 1 27 27 LYS C C 13 173.834 0.000 . 1 1 . . . 28 K C . 16635 1 359 . 1 1 27 27 LYS CA C 13 57.445 0.025 . 1 8 . . . 28 K CA . 16635 1 360 . 1 1 27 27 LYS CB C 13 29.937 0.064 . 1 6 . . . 28 K CB . 16635 1 361 . 1 1 27 27 LYS CD C 13 29.408 0.004 . 1 6 . . . 28 K CD . 16635 1 362 . 1 1 27 27 LYS CE C 13 42.517 0.003 . 1 2 . . . 28 K CE . 16635 1 363 . 1 1 27 27 LYS CG C 13 25.340 0.023 . 1 7 . . . 28 K CG . 16635 1 364 . 1 1 27 27 LYS N N 15 113.278 0.012 . 1 4 . . . 28 K N . 16635 1 365 . 1 1 28 28 LYS H H 1 7.460 0.001 . 1 4 . . . 29 K H . 16635 1 366 . 1 1 28 28 LYS HA H 1 4.623 0.002 . 1 9 . . . 29 K HA . 16635 1 367 . 1 1 28 28 LYS HB2 H 1 1.804 0.003 . 2 6 . . . 29 K HB2 . 16635 1 368 . 1 1 28 28 LYS HB3 H 1 1.659 0.003 . 2 8 . . . 29 K HB3 . 16635 1 369 . 1 1 28 28 LYS HD2 H 1 1.651 0.001 . 2 2 . . . 29 K QD . 16635 1 370 . 1 1 28 28 LYS HD3 H 1 1.651 0.001 . 2 2 . . . 29 K QD . 16635 1 371 . 1 1 28 28 LYS HE2 H 1 2.980 0.005 . 2 5 . . . 29 K QE . 16635 1 372 . 1 1 28 28 LYS HE3 H 1 2.980 0.005 . 2 5 . . . 29 K QE . 16635 1 373 . 1 1 28 28 LYS HG2 H 1 1.381 0.003 . 2 10 . . . 29 K QG . 16635 1 374 . 1 1 28 28 LYS HG3 H 1 1.381 0.003 . 2 10 . . . 29 K QG . 16635 1 375 . 1 1 28 28 LYS CA C 13 53.221 0.008 . 1 5 . . . 29 K CA . 16635 1 376 . 1 1 28 28 LYS CB C 13 34.338 0.054 . 1 9 . . . 29 K CB . 16635 1 377 . 1 1 28 28 LYS CD C 13 29.387 0.010 . 1 2 . . . 29 K CD . 16635 1 378 . 1 1 28 28 LYS CE C 13 42.255 0.000 . 1 1 . . . 29 K CE . 16635 1 379 . 1 1 28 28 LYS CG C 13 23.701 0.027 . 1 5 . . . 29 K CG . 16635 1 380 . 1 1 28 28 LYS N N 15 117.529 0.021 . 1 4 . . . 29 K N . 16635 1 381 . 1 1 29 29 PRO HA H 1 5.502 0.001 . 1 14 . . . 30 P HA . 16635 1 382 . 1 1 29 29 PRO HB2 H 1 2.285 0.002 . 2 6 . . . 30 P HB2 . 16635 1 383 . 1 1 29 29 PRO HB3 H 1 1.902 0.003 . 2 8 . . . 30 P HB3 . 16635 1 384 . 1 1 29 29 PRO HD2 H 1 3.844 0.003 . 2 6 . . . 30 P HD2 . 16635 1 385 . 1 1 29 29 PRO HD3 H 1 3.762 0.002 . 2 6 . . . 30 P HD3 . 16635 1 386 . 1 1 29 29 PRO HG2 H 1 2.210 0.000 . 2 3 . . . 30 P HG2 . 16635 1 387 . 1 1 29 29 PRO HG3 H 1 2.168 0.003 . 2 3 . . . 30 P HG3 . 16635 1 388 . 1 1 29 29 PRO C C 13 177.377 0.000 . 1 1 . . . 30 P C . 16635 1 389 . 1 1 29 29 PRO CA C 13 63.250 0.020 . 1 8 . . . 30 P CA . 16635 1 390 . 1 1 29 29 PRO CB C 13 33.228 0.040 . 1 7 . . . 30 P CB . 16635 1 391 . 1 1 29 29 PRO CD C 13 51.012 0.000 . 1 6 . . . 30 P CD . 16635 1 392 . 1 1 29 29 PRO CG C 13 28.128 0.015 . 1 4 . . . 30 P CG . 16635 1 393 . 1 1 30 30 VAL H H 1 8.976 0.002 . 1 6 . . . 31 V H . 16635 1 394 . 1 1 30 30 VAL HA H 1 5.093 0.002 . 1 8 . . . 31 V HA . 16635 1 395 . 1 1 30 30 VAL HB H 1 2.192 0.003 . 1 6 . . . 31 V HB . 16635 1 396 . 1 1 30 30 VAL HG11 H 1 1.084 0.001 . 2 5 . . . 31 V MG1 . 16635 1 397 . 1 1 30 30 VAL HG12 H 1 1.084 0.001 . 2 5 . . . 31 V MG1 . 16635 1 398 . 1 1 30 30 VAL HG13 H 1 1.084 0.001 . 2 5 . . . 31 V MG1 . 16635 1 399 . 1 1 30 30 VAL HG21 H 1 1.039 0.004 . 2 7 . . . 31 V MG2 . 16635 1 400 . 1 1 30 30 VAL HG22 H 1 1.039 0.004 . 2 7 . . . 31 V MG2 . 16635 1 401 . 1 1 30 30 VAL HG23 H 1 1.039 0.004 . 2 7 . . . 31 V MG2 . 16635 1 402 . 1 1 30 30 VAL CA C 13 58.879 0.007 . 1 5 . . . 31 V CA . 16635 1 403 . 1 1 30 30 VAL CB C 13 36.330 0.034 . 1 4 . . . 31 V CB . 16635 1 404 . 1 1 30 30 VAL CG1 C 13 22.153 0.021 . 2 2 . . . 31 V CG1 . 16635 1 405 . 1 1 30 30 VAL CG2 C 13 20.328 0.010 . 2 4 . . . 31 V CG2 . 16635 1 406 . 1 1 30 30 VAL N N 15 117.420 0.014 . 1 6 . . . 31 V N . 16635 1 407 . 1 1 31 31 PRO HA H 1 5.103 0.002 . 1 13 . . . 32 P HA . 16635 1 408 . 1 1 31 31 PRO HB2 H 1 2.751 0.001 . 2 13 . . . 32 P HB2 . 16635 1 409 . 1 1 31 31 PRO HB3 H 1 2.111 0.003 . 2 4 . . . 32 P HB3 . 16635 1 410 . 1 1 31 31 PRO HD2 H 1 4.013 0.001 . 2 9 . . . 32 P HD2 . 16635 1 411 . 1 1 31 31 PRO HD3 H 1 3.844 0.001 . 2 7 . . . 32 P HD3 . 16635 1 412 . 1 1 31 31 PRO HG2 H 1 2.211 0.005 . 2 5 . . . 32 P HG2 . 16635 1 413 . 1 1 31 31 PRO HG3 H 1 2.121 0.003 . 2 5 . . . 32 P HG3 . 16635 1 414 . 1 1 31 31 PRO C C 13 177.538 0.000 . 1 1 . . . 32 P C . 16635 1 415 . 1 1 31 31 PRO CA C 13 62.753 0.022 . 1 7 . . . 32 P CA . 16635 1 416 . 1 1 31 31 PRO CB C 13 33.025 0.020 . 1 10 . . . 32 P CB . 16635 1 417 . 1 1 31 31 PRO CD C 13 51.744 0.026 . 1 9 . . . 32 P CD . 16635 1 418 . 1 1 31 31 PRO CG C 13 28.086 0.003 . 1 4 . . . 32 P CG . 16635 1 419 . 1 1 32 32 PHE H H 1 9.700 0.002 . 1 6 . . . 33 F H . 16635 1 420 . 1 1 32 32 PHE HA H 1 4.144 0.003 . 1 4 . . . 33 F HA . 16635 1 421 . 1 1 32 32 PHE HB2 H 1 3.598 0.003 . 2 6 . . . 33 F HB2 . 16635 1 422 . 1 1 32 32 PHE HB3 H 1 3.204 0.003 . 2 6 . . . 33 F HB3 . 16635 1 423 . 1 1 32 32 PHE HD1 H 1 6.854 0.007 . 3 4 . . . 33 F QD . 16635 1 424 . 1 1 32 32 PHE HD2 H 1 6.854 0.007 . 3 4 . . . 33 F QD . 16635 1 425 . 1 1 32 32 PHE HE1 H 1 6.751 0.002 . 3 5 . . . 33 F QE . 16635 1 426 . 1 1 32 32 PHE HE2 H 1 6.751 0.002 . 3 5 . . . 33 F QE . 16635 1 427 . 1 1 32 32 PHE HZ H 1 7.124 0.010 . 1 4 . . . 33 F HZ . 16635 1 428 . 1 1 32 32 PHE C C 13 176.679 0.000 . 1 1 . . . 33 F C . 16635 1 429 . 1 1 32 32 PHE CA C 13 62.830 0.030 . 1 3 . . . 33 F CA . 16635 1 430 . 1 1 32 32 PHE CB C 13 40.110 0.018 . 1 7 . . . 33 F CB . 16635 1 431 . 1 1 32 32 PHE CD1 C 13 131.358 0.009 . . 3 . . . 33 F CD# . 16635 1 432 . 1 1 32 32 PHE CD2 C 13 131.358 0.009 . . 3 . . . 33 F CD# . 16635 1 433 . 1 1 32 32 PHE CE1 C 13 131.574 0.025 . . 3 . . . 33 F CE# . 16635 1 434 . 1 1 32 32 PHE CE2 C 13 131.574 0.025 . . 3 . . . 33 F CE# . 16635 1 435 . 1 1 32 32 PHE CZ C 13 129.157 0.004 . 1 2 . . . 33 F CZ . 16635 1 436 . 1 1 32 32 PHE N N 15 124.807 0.011 . 1 6 . . . 33 F N . 16635 1 437 . 1 1 33 33 GLN H H 1 9.317 0.001 . 1 4 . . . 34 Q H . 16635 1 438 . 1 1 33 33 GLN HA H 1 3.748 0.000 . 1 6 . . . 34 Q HA . 16635 1 439 . 1 1 33 33 GLN HB2 H 1 2.118 0.004 . 2 6 . . . 34 Q QB . 16635 1 440 . 1 1 33 33 GLN HB3 H 1 2.118 0.004 . 2 6 . . . 34 Q QB . 16635 1 441 . 1 1 33 33 GLN HE21 H 1 7.724 0.000 . 2 1 . . . 34 Q HE21 . 16635 1 442 . 1 1 33 33 GLN HE22 H 1 6.928 0.000 . 2 1 . . . 34 Q HE22 . 16635 1 443 . 1 1 33 33 GLN HG2 H 1 2.588 0.003 . 2 5 . . . 34 Q HG2 . 16635 1 444 . 1 1 33 33 GLN HG3 H 1 2.547 0.005 . 2 7 . . . 34 Q HG3 . 16635 1 445 . 1 1 33 33 GLN C C 13 178.230 0.000 . 1 1 . . . 34 Q C . 16635 1 446 . 1 1 33 33 GLN CA C 13 59.121 0.025 . 1 4 . . . 34 Q CA . 16635 1 447 . 1 1 33 33 GLN CB C 13 27.848 0.004 . 1 4 . . . 34 Q CB . 16635 1 448 . 1 1 33 33 GLN CG C 13 33.760 0.097 . 1 7 . . . 34 Q CG . 16635 1 449 . 1 1 33 33 GLN N N 15 114.052 0.013 . 1 4 . . . 34 Q N . 16635 1 450 . 1 1 33 33 GLN NE2 N 15 112.485 0.014 . 1 2 . . . 34 Q NE2 . 16635 1 451 . 1 1 34 34 GLU H H 1 6.979 0.002 . 1 4 . . . 35 E H . 16635 1 452 . 1 1 34 34 GLU HA H 1 4.204 0.001 . 1 3 . . . 35 E HA . 16635 1 453 . 1 1 34 34 GLU HB2 H 1 2.098 0.000 . 2 1 . . . 35 E QB . 16635 1 454 . 1 1 34 34 GLU HB3 H 1 2.098 0.000 . 2 1 . . . 35 E QB . 16635 1 455 . 1 1 34 34 GLU HG2 H 1 2.351 0.000 . 2 1 . . . 35 E HG2 . 16635 1 456 . 1 1 34 34 GLU HG3 H 1 2.315 0.000 . 2 1 . . . 35 E HG3 . 16635 1 457 . 1 1 34 34 GLU C C 13 178.723 0.000 . 1 1 . . . 35 E C . 16635 1 458 . 1 1 34 34 GLU CA C 13 58.736 0.025 . 1 4 . . . 35 E CA . 16635 1 459 . 1 1 34 34 GLU CB C 13 29.347 0.000 . 1 1 . . . 35 E CB . 16635 1 460 . 1 1 34 34 GLU N N 15 117.748 0.022 . 1 4 . . . 35 E N . 16635 1 461 . 1 1 35 35 LEU H H 1 7.911 0.002 . 1 4 . . . 36 L H . 16635 1 462 . 1 1 35 35 LEU HA H 1 3.989 0.004 . 1 10 . . . 36 L HA . 16635 1 463 . 1 1 35 35 LEU HB2 H 1 1.851 0.006 . 2 9 . . . 36 L HB2 . 16635 1 464 . 1 1 35 35 LEU HB3 H 1 1.564 0.006 . 2 6 . . . 36 L HB3 . 16635 1 465 . 1 1 35 35 LEU HD11 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 466 . 1 1 35 35 LEU HD12 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 467 . 1 1 35 35 LEU HD13 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 468 . 1 1 35 35 LEU HD21 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 469 . 1 1 35 35 LEU HD22 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 470 . 1 1 35 35 LEU HD23 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 471 . 1 1 35 35 LEU HG H 1 1.476 0.004 . 1 8 . . . 36 L HG . 16635 1 472 . 1 1 35 35 LEU C C 13 178.240 0.000 . 1 1 . . . 36 L C . 16635 1 473 . 1 1 35 35 LEU CA C 13 57.857 0.067 . 1 6 . . . 36 L CA . 16635 1 474 . 1 1 35 35 LEU CB C 13 42.051 0.026 . 1 9 . . . 36 L CB . 16635 1 475 . 1 1 35 35 LEU CD1 C 13 23.248 0.024 . . 4 . . . 36 L CD# . 16635 1 476 . 1 1 35 35 LEU CD2 C 13 23.248 0.024 . . 4 . . . 36 L CD# . 16635 1 477 . 1 1 35 35 LEU CG C 13 26.663 0.075 . 1 4 . . . 36 L CG . 16635 1 478 . 1 1 35 35 LEU N N 15 122.675 0.014 . 1 4 . . . 36 L N . 16635 1 479 . 1 1 36 36 LEU H H 1 7.992 0.001 . 1 4 . . . 37 L H . 16635 1 480 . 1 1 36 36 LEU HA H 1 3.635 0.006 . 1 10 . . . 37 L HA . 16635 1 481 . 1 1 36 36 LEU HB2 H 1 1.343 0.002 . 2 4 . . . 37 L HB2 . 16635 1 482 . 1 1 36 36 LEU HB3 H 1 1.234 0.005 . 2 6 . . . 37 L HB3 . 16635 1 483 . 1 1 36 36 LEU HD11 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 484 . 1 1 36 36 LEU HD12 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 485 . 1 1 36 36 LEU HD13 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 486 . 1 1 36 36 LEU HD21 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 487 . 1 1 36 36 LEU HD22 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 488 . 1 1 36 36 LEU HD23 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 489 . 1 1 36 36 LEU HG H 1 1.845 0.002 . 1 4 . . . 37 L HG . 16635 1 490 . 1 1 36 36 LEU C C 13 178.312 0.000 . 1 1 . . . 37 L C . 16635 1 491 . 1 1 36 36 LEU CA C 13 57.661 0.016 . 1 6 . . . 37 L CA . 16635 1 492 . 1 1 36 36 LEU CB C 13 41.881 0.064 . 1 5 . . . 37 L CB . 16635 1 493 . 1 1 36 36 LEU CD1 C 13 24.625 0.022 . . 5 . . . 37 L CD# . 16635 1 494 . 1 1 36 36 LEU CD2 C 13 24.625 0.022 . . 5 . . . 37 L CD# . 16635 1 495 . 1 1 36 36 LEU CG C 13 26.600 0.000 . 1 2 . . . 37 L CG . 16635 1 496 . 1 1 36 36 LEU N N 15 116.639 0.022 . 1 4 . . . 37 L N . 16635 1 497 . 1 1 37 37 ASN H H 1 7.778 0.002 . 1 4 . . . 38 N H . 16635 1 498 . 1 1 37 37 ASN HA H 1 4.298 0.002 . 1 4 . . . 38 N HA . 16635 1 499 . 1 1 37 37 ASN HB2 H 1 2.968 0.002 . 2 4 . . . 38 N HB2 . 16635 1 500 . 1 1 37 37 ASN HB3 H 1 2.861 0.002 . 2 4 . . . 38 N HB3 . 16635 1 501 . 1 1 37 37 ASN HD22 H 1 7.293 0.361 . 2 2 . . . 38 N HD22 . 16635 1 502 . 1 1 37 37 ASN C C 13 178.263 0.000 . 1 1 . . . 38 N C . 16635 1 503 . 1 1 37 37 ASN CA C 13 56.200 0.005 . 1 3 . . . 38 N CA . 16635 1 504 . 1 1 37 37 ASN CB C 13 37.805 0.036 . 1 5 . . . 38 N CB . 16635 1 505 . 1 1 37 37 ASN N N 15 116.921 0.013 . 1 4 . . . 38 N N . 16635 1 506 . 1 1 37 37 ASN ND2 N 15 112.275 0.028 . 1 2 . . . 38 N ND2 . 16635 1 507 . 1 1 38 38 GLU H H 1 8.147 0.003 . 1 4 . . . 39 E H . 16635 1 508 . 1 1 38 38 GLU HA H 1 4.036 0.004 . 1 7 . . . 39 E HA . 16635 1 509 . 1 1 38 38 GLU HB2 H 1 2.063 0.028 . 2 2 . . . 39 E QB . 16635 1 510 . 1 1 38 38 GLU HB3 H 1 2.063 0.028 . 2 2 . . . 39 E QB . 16635 1 511 . 1 1 38 38 GLU HG2 H 1 2.465 0.001 . 2 6 . . . 39 E HG2 . 16635 1 512 . 1 1 38 38 GLU HG3 H 1 2.252 0.002 . 2 3 . . . 39 E HG3 . 16635 1 513 . 1 1 38 38 GLU C C 13 179.346 0.000 . 1 1 . . . 39 E C . 16635 1 514 . 1 1 38 38 GLU CA C 13 59.645 0.061 . 1 5 . . . 39 E CA . 16635 1 515 . 1 1 38 38 GLU CB C 13 29.352 0.036 . 1 2 . . . 39 E CB . 16635 1 516 . 1 1 38 38 GLU CG C 13 36.065 0.022 . 1 4 . . . 39 E CG . 16635 1 517 . 1 1 38 38 GLU N N 15 121.572 0.032 . 1 4 . . . 39 E N . 16635 1 518 . 1 1 39 39 ILE H H 1 8.295 0.002 . 1 4 . . . 40 I H . 16635 1 519 . 1 1 39 39 ILE HA H 1 3.350 0.002 . 1 10 . . . 40 I HA . 16635 1 520 . 1 1 39 39 ILE HB H 1 1.632 0.001 . 1 9 . . . 40 I HB . 16635 1 521 . 1 1 39 39 ILE HD11 H 1 0.375 0.002 . . 11 . . . 40 I HD1 . 16635 1 522 . 1 1 39 39 ILE HD12 H 1 0.375 0.002 . . 11 . . . 40 I HD1 . 16635 1 523 . 1 1 39 39 ILE HD13 H 1 0.375 0.002 . . 11 . . . 40 I HD1 . 16635 1 524 . 1 1 39 39 ILE HG12 H 1 1.733 0.002 . 2 8 . . . 40 I HG12 . 16635 1 525 . 1 1 39 39 ILE HG13 H 1 0.588 0.003 . 2 4 . . . 40 I HG13 . 16635 1 526 . 1 1 39 39 ILE HG21 H 1 0.592 0.000 . . 8 . . . 40 I HG2 . 16635 1 527 . 1 1 39 39 ILE HG22 H 1 0.592 0.000 . . 8 . . . 40 I HG2 . 16635 1 528 . 1 1 39 39 ILE HG23 H 1 0.592 0.000 . . 8 . . . 40 I HG2 . 16635 1 529 . 1 1 39 39 ILE C C 13 176.931 0.000 . 1 1 . . . 40 I C . 16635 1 530 . 1 1 39 39 ILE CA C 13 66.327 0.021 . 1 5 . . . 40 I CA . 16635 1 531 . 1 1 39 39 ILE CB C 13 38.040 0.046 . 1 6 . . . 40 I CB . 16635 1 532 . 1 1 39 39 ILE CD1 C 13 14.517 0.007 . 1 5 . . . 40 I CD1 . 16635 1 533 . 1 1 39 39 ILE CG1 C 13 30.117 0.016 . 1 7 . . . 40 I CG1 . 16635 1 534 . 1 1 39 39 ILE CG2 C 13 17.456 0.016 . 1 4 . . . 40 I CG2 . 16635 1 535 . 1 1 39 39 ILE N N 15 120.657 0.018 . 1 4 . . . 40 I N . 16635 1 536 . 1 1 40 40 ALA H H 1 8.514 0.001 . 1 4 . . . 41 A H . 16635 1 537 . 1 1 40 40 ALA HA H 1 3.709 0.003 . 1 4 . . . 41 A HA . 16635 1 538 . 1 1 40 40 ALA HB1 H 1 1.359 0.001 . 1 4 . . . 41 A MB . 16635 1 539 . 1 1 40 40 ALA HB2 H 1 1.359 0.001 . 1 4 . . . 41 A MB . 16635 1 540 . 1 1 40 40 ALA HB3 H 1 1.359 0.001 . 1 4 . . . 41 A MB . 16635 1 541 . 1 1 40 40 ALA C C 13 179.178 0.000 . 1 1 . . . 41 A C . 16635 1 542 . 1 1 40 40 ALA CA C 13 55.797 0.017 . 1 3 . . . 41 A CA . 16635 1 543 . 1 1 40 40 ALA CB C 13 16.645 0.059 . 1 3 . . . 41 A CB . 16635 1 544 . 1 1 40 40 ALA N N 15 120.951 0.015 . 1 4 . . . 41 A N . 16635 1 545 . 1 1 41 41 SER H H 1 7.785 0.002 . 1 4 . . . 42 S H . 16635 1 546 . 1 1 41 41 SER HA H 1 4.233 0.003 . 1 4 . . . 42 S HA . 16635 1 547 . 1 1 41 41 SER HB2 H 1 3.984 0.003 . 2 4 . . . 42 S QB . 16635 1 548 . 1 1 41 41 SER HB3 H 1 3.984 0.003 . 2 4 . . . 42 S QB . 16635 1 549 . 1 1 41 41 SER C C 13 177.970 0.000 . 1 1 . . . 42 S C . 16635 1 550 . 1 1 41 41 SER CA C 13 61.549 0.015 . 1 3 . . . 42 S CA . 16635 1 551 . 1 1 41 41 SER CB C 13 62.952 0.069 . 1 3 . . . 42 S CB . 16635 1 552 . 1 1 41 41 SER N N 15 111.172 0.012 . 1 4 . . . 42 S N . 16635 1 553 . 1 1 42 42 LEU H H 1 7.928 0.001 . 1 4 . . . 43 L H . 16635 1 554 . 1 1 42 42 LEU HA H 1 4.087 0.004 . 1 10 . . . 43 L HA . 16635 1 555 . 1 1 42 42 LEU HB2 H 1 1.918 0.005 . 2 9 . . . 43 L HB2 . 16635 1 556 . 1 1 42 42 LEU HB3 H 1 1.529 0.004 . 2 8 . . . 43 L HB3 . 16635 1 557 . 1 1 42 42 LEU HD11 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 558 . 1 1 42 42 LEU HD12 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 559 . 1 1 42 42 LEU HD13 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 560 . 1 1 42 42 LEU HD21 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 561 . 1 1 42 42 LEU HD22 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 562 . 1 1 42 42 LEU HD23 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 563 . 1 1 42 42 LEU HG H 1 1.804 0.008 . 1 10 . . . 43 L HG . 16635 1 564 . 1 1 42 42 LEU C C 13 178.764 0.000 . 1 1 . . . 43 L C . 16635 1 565 . 1 1 42 42 LEU CA C 13 57.699 0.012 . 1 6 . . . 43 L CA . 16635 1 566 . 1 1 42 42 LEU CB C 13 42.180 0.028 . 1 10 . . . 43 L CB . 16635 1 567 . 1 1 42 42 LEU CD1 C 13 25.977 0.015 . . 4 . . . 43 L CD# . 16635 1 568 . 1 1 42 42 LEU CD2 C 13 25.977 0.015 . . 4 . . . 43 L CD# . 16635 1 569 . 1 1 42 42 LEU CG C 13 26.778 0.022 . 1 5 . . . 43 L CG . 16635 1 570 . 1 1 42 42 LEU N N 15 123.266 0.012 . 1 4 . . . 43 L N . 16635 1 571 . 1 1 43 43 LEU H H 1 7.880 0.002 . 1 4 . . . 44 L H . 16635 1 572 . 1 1 43 43 LEU HA H 1 4.073 0.002 . 1 10 . . . 44 L HA . 16635 1 573 . 1 1 43 43 LEU HB2 H 1 1.743 0.003 . 2 10 . . . 44 L HB2 . 16635 1 574 . 1 1 43 43 LEU HB3 H 1 1.490 0.006 . 2 10 . . . 44 L HB3 . 16635 1 575 . 1 1 43 43 LEU HD11 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 576 . 1 1 43 43 LEU HD12 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 577 . 1 1 43 43 LEU HD13 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 578 . 1 1 43 43 LEU HD21 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 579 . 1 1 43 43 LEU HD22 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 580 . 1 1 43 43 LEU HD23 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 581 . 1 1 43 43 LEU HG H 1 1.700 0.006 . 1 10 . . . 44 L HG . 16635 1 582 . 1 1 43 43 LEU C C 13 177.012 0.000 . 1 1 . . . 44 L C . 16635 1 583 . 1 1 43 43 LEU CA C 13 55.948 0.790 . 1 6 . . . 44 L CA . 16635 1 584 . 1 1 43 43 LEU CB C 13 43.085 0.051 . 1 11 . . . 44 L CB . 16635 1 585 . 1 1 43 43 LEU CD1 C 13 22.910 0.022 . . 5 . . . 44 L CD# . 16635 1 586 . 1 1 43 43 LEU CD2 C 13 22.910 0.022 . . 5 . . . 44 L CD# . 16635 1 587 . 1 1 43 43 LEU CG C 13 27.182 0.029 . 1 5 . . . 44 L CG . 16635 1 588 . 1 1 43 43 LEU N N 15 116.405 0.018 . 1 4 . . . 44 L N . 16635 1 589 . 1 1 44 44 GLY H H 1 7.906 0.001 . 1 3 . . . 45 G H . 16635 1 590 . 1 1 44 44 GLY HA2 H 1 3.936 0.003 . 2 4 . . . 45 G HA2 . 16635 1 591 . 1 1 44 44 GLY HA3 H 1 3.849 0.002 . 2 4 . . . 45 G HA3 . 16635 1 592 . 1 1 44 44 GLY C C 13 174.950 0.000 . 1 1 . . . 45 G C . 16635 1 593 . 1 1 44 44 GLY CA C 13 46.280 0.023 . 1 5 . . . 45 G CA . 16635 1 594 . 1 1 44 44 GLY N N 15 108.122 0.002 . 1 3 . . . 45 G N . 16635 1 595 . 1 1 45 45 VAL H H 1 7.763 0.001 . 1 4 . . . 46 V H . 16635 1 596 . 1 1 45 45 VAL HA H 1 4.686 0.001 . 1 3 . . . 46 V HA . 16635 1 597 . 1 1 45 45 VAL HB H 1 2.206 0.001 . 1 5 . . . 46 V HB . 16635 1 598 . 1 1 45 45 VAL HG11 H 1 0.751 0.001 . 2 7 . . . 46 V MG1 . 16635 1 599 . 1 1 45 45 VAL HG12 H 1 0.751 0.001 . 2 7 . . . 46 V MG1 . 16635 1 600 . 1 1 45 45 VAL HG13 H 1 0.751 0.001 . 2 7 . . . 46 V MG1 . 16635 1 601 . 1 1 45 45 VAL HG21 H 1 0.594 0.003 . 2 7 . . . 46 V MG2 . 16635 1 602 . 1 1 45 45 VAL HG22 H 1 0.594 0.003 . 2 7 . . . 46 V MG2 . 16635 1 603 . 1 1 45 45 VAL HG23 H 1 0.594 0.003 . 2 7 . . . 46 V MG2 . 16635 1 604 . 1 1 45 45 VAL C C 13 175.374 0.000 . 1 1 . . . 46 V C . 16635 1 605 . 1 1 45 45 VAL CA C 13 58.451 0.003 . 1 4 . . . 46 V CA . 16635 1 606 . 1 1 45 45 VAL CB C 13 34.943 0.079 . 1 3 . . . 46 V CB . 16635 1 607 . 1 1 45 45 VAL CG1 C 13 21.301 0.011 . 2 3 . . . 46 V CG1 . 16635 1 608 . 1 1 45 45 VAL CG2 C 13 17.832 0.002 . 2 3 . . . 46 V CG2 . 16635 1 609 . 1 1 45 45 VAL N N 15 112.120 0.007 . 1 4 . . . 46 V N . 16635 1 610 . 1 1 46 46 LYS H H 1 8.438 0.001 . 1 4 . . . 47 K H . 16635 1 611 . 1 1 46 46 LYS HA H 1 4.386 0.004 . 1 8 . . . 47 K HA . 16635 1 612 . 1 1 46 46 LYS HB2 H 1 2.080 0.003 . 2 10 . . . 47 K HB2 . 16635 1 613 . 1 1 46 46 LYS HB3 H 1 1.638 0.003 . 2 5 . . . 47 K HB3 . 16635 1 614 . 1 1 46 46 LYS HD2 H 1 1.681 0.002 . 2 3 . . . 47 K QD . 16635 1 615 . 1 1 46 46 LYS HD3 H 1 1.681 0.002 . 2 3 . . . 47 K QD . 16635 1 616 . 1 1 46 46 LYS HE2 H 1 2.981 0.004 . 2 8 . . . 47 K QE . 16635 1 617 . 1 1 46 46 LYS HE3 H 1 2.981 0.004 . 2 8 . . . 47 K QE . 16635 1 618 . 1 1 46 46 LYS HG2 H 1 1.559 0.004 . 2 6 . . . 47 K HG2 . 16635 1 619 . 1 1 46 46 LYS HG3 H 1 1.490 0.006 . 2 6 . . . 47 K HG3 . 16635 1 620 . 1 1 46 46 LYS C C 13 179.263 0.000 . 1 1 . . . 47 K C . 16635 1 621 . 1 1 46 46 LYS CA C 13 55.482 0.028 . 1 3 . . . 47 K CA . 16635 1 622 . 1 1 46 46 LYS CB C 13 32.926 0.023 . 1 10 . . . 47 K CB . 16635 1 623 . 1 1 46 46 LYS CD C 13 28.922 0.013 . 1 3 . . . 47 K CD . 16635 1 624 . 1 1 46 46 LYS CE C 13 42.194 0.014 . 1 2 . . . 47 K CE . 16635 1 625 . 1 1 46 46 LYS CG C 13 25.143 0.008 . 1 7 . . . 47 K CG . 16635 1 626 . 1 1 46 46 LYS N N 15 120.084 0.031 . 1 4 . . . 47 K N . 16635 1 627 . 1 1 47 47 LYS H H 1 9.035 0.002 . 1 4 . . . 48 K H . 16635 1 628 . 1 1 47 47 LYS HA H 1 3.633 0.004 . 1 11 . . . 48 K HA . 16635 1 629 . 1 1 47 47 LYS HB2 H 1 1.752 0.004 . 2 5 . . . 48 K HB2 . 16635 1 630 . 1 1 47 47 LYS HB3 H 1 1.692 0.001 . 2 3 . . . 48 K HB3 . 16635 1 631 . 1 1 47 47 LYS HD2 H 1 1.668 0.002 . 2 3 . . . 48 K QD . 16635 1 632 . 1 1 47 47 LYS HD3 H 1 1.668 0.002 . 2 3 . . . 48 K QD . 16635 1 633 . 1 1 47 47 LYS HE2 H 1 2.981 0.003 . 2 5 . . . 48 K QE . 16635 1 634 . 1 1 47 47 LYS HE3 H 1 2.981 0.003 . 2 5 . . . 48 K QE . 16635 1 635 . 1 1 47 47 LYS HG2 H 1 1.354 0.003 . 2 7 . . . 48 K QG . 16635 1 636 . 1 1 47 47 LYS HG3 H 1 1.354 0.003 . 2 7 . . . 48 K QG . 16635 1 637 . 1 1 47 47 LYS C C 13 178.379 0.000 . 1 1 . . . 48 K C . 16635 1 638 . 1 1 47 47 LYS CA C 13 60.706 0.009 . 1 6 . . . 48 K CA . 16635 1 639 . 1 1 47 47 LYS CB C 13 31.645 0.028 . 1 7 . . . 48 K CB . 16635 1 640 . 1 1 47 47 LYS CD C 13 29.690 0.000 . 1 1 . . . 48 K CD . 16635 1 641 . 1 1 47 47 LYS CE C 13 41.940 0.000 . 1 1 . . . 48 K CE . 16635 1 642 . 1 1 47 47 LYS CG C 13 24.445 0.035 . 1 4 . . . 48 K CG . 16635 1 643 . 1 1 47 47 LYS N N 15 123.193 0.015 . 1 4 . . . 48 K N . 16635 1 644 . 1 1 48 48 GLU H H 1 9.379 0.001 . 1 4 . . . 49 E H . 16635 1 645 . 1 1 48 48 GLU HA H 1 4.052 0.001 . 1 4 . . . 49 E HA . 16635 1 646 . 1 1 48 48 GLU HB2 H 1 2.017 0.001 . 2 3 . . . 49 E QB . 16635 1 647 . 1 1 48 48 GLU HB3 H 1 2.017 0.001 . 2 3 . . . 49 E QB . 16635 1 648 . 1 1 48 48 GLU HG2 H 1 2.397 0.002 . 2 3 . . . 49 E HG2 . 16635 1 649 . 1 1 48 48 GLU HG3 H 1 2.282 0.000 . 2 1 . . . 49 E HG3 . 16635 1 650 . 1 1 48 48 GLU C C 13 179.176 0.000 . 1 1 . . . 49 E C . 16635 1 651 . 1 1 48 48 GLU CA C 13 59.861 0.127 . 1 2 . . . 49 E CA . 16635 1 652 . 1 1 48 48 GLU CB C 13 28.290 0.119 . 1 3 . . . 49 E CB . 16635 1 653 . 1 1 48 48 GLU CG C 13 36.959 0.022 . 1 2 . . . 49 E CG . 16635 1 654 . 1 1 48 48 GLU N N 15 116.806 0.015 . 1 4 . . . 49 E N . 16635 1 655 . 1 1 49 49 GLU H H 1 7.905 0.001 . 1 4 . . . 50 E H . 16635 1 656 . 1 1 49 49 GLU HA H 1 4.202 0.011 . 1 6 . . . 50 E HA . 16635 1 657 . 1 1 49 49 GLU HB2 H 1 2.036 0.001 . 2 2 . . . 50 E QB . 16635 1 658 . 1 1 49 49 GLU HB3 H 1 2.036 0.001 . 2 2 . . . 50 E QB . 16635 1 659 . 1 1 49 49 GLU HG2 H 1 2.260 0.001 . 2 2 . . . 50 E HG2 . 16635 1 660 . 1 1 49 49 GLU HG3 H 1 2.226 0.002 . 2 2 . . . 50 E HG3 . 16635 1 661 . 1 1 49 49 GLU C C 13 177.967 0.000 . 1 1 . . . 50 E C . 16635 1 662 . 1 1 49 49 GLU CA C 13 57.590 0.004 . 1 4 . . . 50 E CA . 16635 1 663 . 1 1 49 49 GLU CB C 13 29.449 0.082 . 1 2 . . . 50 E CB . 16635 1 664 . 1 1 49 49 GLU CG C 13 36.329 0.020 . 1 2 . . . 50 E CG . 16635 1 665 . 1 1 49 49 GLU N N 15 118.471 0.013 . 1 4 . . . 50 E N . 16635 1 666 . 1 1 50 50 LEU H H 1 7.673 0.001 . 1 4 . . . 51 L H . 16635 1 667 . 1 1 50 50 LEU HA H 1 4.251 0.003 . 1 7 . . . 51 L HA . 16635 1 668 . 1 1 50 50 LEU HB2 H 1 1.991 0.008 . 2 10 . . . 51 L HB2 . 16635 1 669 . 1 1 50 50 LEU HB3 H 1 1.327 0.004 . 2 10 . . . 51 L HB3 . 16635 1 670 . 1 1 50 50 LEU HD11 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 671 . 1 1 50 50 LEU HD12 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 672 . 1 1 50 50 LEU HD13 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 673 . 1 1 50 50 LEU HD21 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 674 . 1 1 50 50 LEU HD22 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 675 . 1 1 50 50 LEU HD23 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 676 . 1 1 50 50 LEU HG H 1 1.587 0.008 . 1 9 . . . 51 L HG . 16635 1 677 . 1 1 50 50 LEU C C 13 178.609 0.000 . 1 1 . . . 51 L C . 16635 1 678 . 1 1 50 50 LEU CA C 13 55.781 0.105 . 1 5 . . . 51 L CA . 16635 1 679 . 1 1 50 50 LEU CB C 13 41.974 0.061 . 1 11 . . . 51 L CB . 16635 1 680 . 1 1 50 50 LEU CD1 C 13 22.794 0.017 . . 5 . . . 51 L CD# . 16635 1 681 . 1 1 50 50 LEU CD2 C 13 22.794 0.017 . . 5 . . . 51 L CD# . 16635 1 682 . 1 1 50 50 LEU CG C 13 26.857 0.073 . 1 4 . . . 51 L CG . 16635 1 683 . 1 1 50 50 LEU N N 15 118.314 0.013 . 1 4 . . . 51 L N . 16635 1 684 . 1 1 51 51 GLY H H 1 7.588 0.002 . 1 3 . . . 52 G H . 16635 1 685 . 1 1 51 51 GLY HA2 H 1 4.000 0.003 . 2 4 . . . 52 G HA2 . 16635 1 686 . 1 1 51 51 GLY HA3 H 1 3.788 0.003 . 2 4 . . . 52 G HA3 . 16635 1 687 . 1 1 51 51 GLY C C 13 176.052 0.000 . 1 1 . . . 52 G C . 16635 1 688 . 1 1 51 51 GLY CA C 13 47.717 0.037 . 1 5 . . . 52 G CA . 16635 1 689 . 1 1 51 51 GLY N N 15 105.811 0.009 . 1 3 . . . 52 G N . 16635 1 690 . 1 1 52 52 ASP H H 1 8.993 0.002 . 1 4 . . . 53 D H . 16635 1 691 . 1 1 52 52 ASP HA H 1 4.569 0.005 . 1 6 . . . 53 D HA . 16635 1 692 . 1 1 52 52 ASP HB2 H 1 2.792 0.003 . 2 2 . . . 53 D HB2 . 16635 1 693 . 1 1 52 52 ASP HB3 H 1 2.762 0.002 . 2 2 . . . 53 D HB3 . 16635 1 694 . 1 1 52 52 ASP C C 13 177.183 0.000 . 1 1 . . . 53 D C . 16635 1 695 . 1 1 52 52 ASP CA C 13 56.217 0.010 . 1 4 . . . 53 D CA . 16635 1 696 . 1 1 52 52 ASP CB C 13 40.084 0.018 . 1 3 . . . 53 D CB . 16635 1 697 . 1 1 52 52 ASP N N 15 124.458 0.042 . 1 4 . . . 53 D N . 16635 1 698 . 1 1 53 53 ARG H H 1 8.220 0.002 . 1 4 . . . 54 R H . 16635 1 699 . 1 1 53 53 ARG HA H 1 4.344 0.002 . 1 12 . . . 54 R HA . 16635 1 700 . 1 1 53 53 ARG HB2 H 1 1.988 0.003 . 2 6 . . . 54 R HB2 . 16635 1 701 . 1 1 53 53 ARG HB3 H 1 1.789 0.003 . 2 4 . . . 54 R HB3 . 16635 1 702 . 1 1 53 53 ARG HD2 H 1 3.210 0.001 . 2 10 . . . 54 R HD2 . 16635 1 703 . 1 1 53 53 ARG HD3 H 1 3.148 0.002 . 2 10 . . . 54 R HD3 . 16635 1 704 . 1 1 53 53 ARG HE H 1 7.244 0.001 . 1 2 . . . 54 R HE . 16635 1 705 . 1 1 53 53 ARG HG2 H 1 1.903 0.003 . 2 6 . . . 54 R HG2 . 16635 1 706 . 1 1 53 53 ARG HG3 H 1 1.746 0.003 . 2 4 . . . 54 R HG3 . 16635 1 707 . 1 1 53 53 ARG C C 13 178.781 0.000 . 1 1 . . . 54 R C . 16635 1 708 . 1 1 53 53 ARG CA C 13 57.899 0.021 . 1 7 . . . 54 R CA . 16635 1 709 . 1 1 53 53 ARG CB C 13 31.614 0.026 . 1 7 . . . 54 R CB . 16635 1 710 . 1 1 53 53 ARG CD C 13 44.350 0.001 . 1 9 . . . 54 R CD . 16635 1 711 . 1 1 53 53 ARG CG C 13 27.180 0.041 . 1 7 . . . 54 R CG . 16635 1 712 . 1 1 53 53 ARG N N 15 117.684 0.017 . 1 4 . . . 54 R N . 16635 1 713 . 1 1 53 53 ARG NE N 15 83.996 0.003 . 1 2 . . . 54 R NE . 16635 1 714 . 1 1 54 54 ILE H H 1 7.649 0.002 . 1 4 . . . 55 I H . 16635 1 715 . 1 1 54 54 ILE HA H 1 3.696 0.001 . 1 11 . . . 55 I HA . 16635 1 716 . 1 1 54 54 ILE HB H 1 1.982 0.001 . 1 11 . . . 55 I HB . 16635 1 717 . 1 1 54 54 ILE HD11 H 1 0.984 0.003 . . 11 . . . 55 I HD1 . 16635 1 718 . 1 1 54 54 ILE HD12 H 1 0.984 0.003 . . 11 . . . 55 I HD1 . 16635 1 719 . 1 1 54 54 ILE HD13 H 1 0.984 0.003 . . 11 . . . 55 I HD1 . 16635 1 720 . 1 1 54 54 ILE HG12 H 1 1.749 0.002 . 2 9 . . . 55 I HG12 . 16635 1 721 . 1 1 54 54 ILE HG13 H 1 0.981 0.001 . 2 5 . . . 55 I HG13 . 16635 1 722 . 1 1 54 54 ILE HG21 H 1 1.095 0.004 . . 11 . . . 55 I HG2 . 16635 1 723 . 1 1 54 54 ILE HG22 H 1 1.095 0.004 . . 11 . . . 55 I HG2 . 16635 1 724 . 1 1 54 54 ILE HG23 H 1 1.095 0.004 . . 11 . . . 55 I HG2 . 16635 1 725 . 1 1 54 54 ILE C C 13 176.685 0.000 . 1 1 . . . 55 I C . 16635 1 726 . 1 1 54 54 ILE CA C 13 66.595 0.016 . 1 6 . . . 55 I CA . 16635 1 727 . 1 1 54 54 ILE CB C 13 37.830 0.029 . 1 6 . . . 55 I CB . 16635 1 728 . 1 1 54 54 ILE CD1 C 13 13.261 0.009 . 1 5 . . . 55 I CD1 . 16635 1 729 . 1 1 54 54 ILE CG1 C 13 29.436 0.023 . 1 9 . . . 55 I CG1 . 16635 1 730 . 1 1 54 54 ILE CG2 C 13 17.703 0.006 . 1 5 . . . 55 I CG2 . 16635 1 731 . 1 1 54 54 ILE N N 15 119.706 0.016 . 1 4 . . . 55 I N . 16635 1 732 . 1 1 55 55 ALA H H 1 8.092 0.002 . 1 4 . . . 56 A H . 16635 1 733 . 1 1 55 55 ALA HA H 1 4.191 0.002 . 1 2 . . . 56 A HA . 16635 1 734 . 1 1 55 55 ALA HB1 H 1 1.480 0.004 . 1 4 . . . 56 A MB . 16635 1 735 . 1 1 55 55 ALA HB2 H 1 1.480 0.004 . 1 4 . . . 56 A MB . 16635 1 736 . 1 1 55 55 ALA HB3 H 1 1.480 0.004 . 1 4 . . . 56 A MB . 16635 1 737 . 1 1 55 55 ALA C C 13 180.741 0.000 . 1 1 . . . 56 A C . 16635 1 738 . 1 1 55 55 ALA CA C 13 55.459 0.056 . 1 2 . . . 56 A CA . 16635 1 739 . 1 1 55 55 ALA CB C 13 17.925 0.066 . 1 3 . . . 56 A CB . 16635 1 740 . 1 1 55 55 ALA N N 15 122.791 0.030 . 1 4 . . . 56 A N . 16635 1 741 . 1 1 56 56 GLN H H 1 7.834 0.002 . 1 4 . . . 57 Q H . 16635 1 742 . 1 1 56 56 GLN HA H 1 3.986 0.003 . 1 7 . . . 57 Q HA . 16635 1 743 . 1 1 56 56 GLN HB2 H 1 2.197 0.002 . 2 4 . . . 57 Q HB2 . 16635 1 744 . 1 1 56 56 GLN HB3 H 1 2.085 0.001 . 2 3 . . . 57 Q HB3 . 16635 1 745 . 1 1 56 56 GLN HE21 H 1 8.026 0.000 . 2 1 . . . 57 Q HE21 . 16635 1 746 . 1 1 56 56 GLN HE22 H 1 6.860 0.000 . 2 1 . . . 57 Q HE22 . 16635 1 747 . 1 1 56 56 GLN HG2 H 1 2.525 0.004 . 2 7 . . . 57 Q HG2 . 16635 1 748 . 1 1 56 56 GLN HG3 H 1 2.456 0.005 . 2 7 . . . 57 Q HG3 . 16635 1 749 . 1 1 56 56 GLN C C 13 176.673 0.000 . 1 1 . . . 57 Q C . 16635 1 750 . 1 1 56 56 GLN CA C 13 57.471 1.035 . 1 5 . . . 57 Q CA . 16635 1 751 . 1 1 56 56 GLN CB C 13 28.667 0.039 . 1 4 . . . 57 Q CB . 16635 1 752 . 1 1 56 56 GLN CG C 13 33.430 0.000 . 1 7 . . . 57 Q CG . 16635 1 753 . 1 1 56 56 GLN N N 15 117.500 0.020 . 1 4 . . . 57 Q N . 16635 1 754 . 1 1 56 56 GLN NE2 N 15 115.571 0.002 . 1 2 . . . 57 Q NE2 . 16635 1 755 . 1 1 57 57 PHE H H 1 7.974 0.002 . 1 4 . . . 58 F H . 16635 1 756 . 1 1 57 57 PHE HA H 1 4.888 0.002 . 1 4 . . . 58 F HA . 16635 1 757 . 1 1 57 57 PHE HB2 H 1 3.435 0.002 . 2 4 . . . 58 F HB2 . 16635 1 758 . 1 1 57 57 PHE HB3 H 1 3.400 0.001 . 2 4 . . . 58 F HB3 . 16635 1 759 . 1 1 57 57 PHE HD1 H 1 7.095 0.002 . 3 3 . . . 58 F QD . 16635 1 760 . 1 1 57 57 PHE HD2 H 1 7.095 0.002 . 3 3 . . . 58 F QD . 16635 1 761 . 1 1 57 57 PHE HE1 H 1 6.578 0.003 . 3 3 . . . 58 F QE . 16635 1 762 . 1 1 57 57 PHE HE2 H 1 6.578 0.003 . 3 3 . . . 58 F QE . 16635 1 763 . 1 1 57 57 PHE HZ H 1 6.603 0.000 . 1 1 . . . 58 F HZ . 16635 1 764 . 1 1 57 57 PHE C C 13 175.992 0.000 . 1 1 . . . 58 F C . 16635 1 765 . 1 1 57 57 PHE CA C 13 58.211 0.004 . 1 3 . . . 58 F CA . 16635 1 766 . 1 1 57 57 PHE CB C 13 39.326 0.022 . 1 5 . . . 58 F CB . 16635 1 767 . 1 1 57 57 PHE CD1 C 13 131.716 0.024 . . 2 . . . 58 F CD# . 16635 1 768 . 1 1 57 57 PHE CD2 C 13 131.716 0.024 . . 2 . . . 58 F CD# . 16635 1 769 . 1 1 57 57 PHE CE1 C 13 129.834 0.044 . . 2 . . . 58 F CE# . 16635 1 770 . 1 1 57 57 PHE CE2 C 13 129.834 0.044 . . 2 . . . 58 F CE# . 16635 1 771 . 1 1 57 57 PHE CZ C 13 128.484 0.000 . 1 1 . . . 58 F CZ . 16635 1 772 . 1 1 57 57 PHE N N 15 120.296 0.022 . 1 4 . . . 58 F N . 16635 1 773 . 1 1 58 58 TYR H H 1 8.360 0.002 . 1 4 . . . 59 Y H . 16635 1 774 . 1 1 58 58 TYR HA H 1 3.341 0.004 . 1 4 . . . 59 Y HA . 16635 1 775 . 1 1 58 58 TYR HB2 H 1 2.935 0.001 . 2 4 . . . 59 Y HB2 . 16635 1 776 . 1 1 58 58 TYR HB3 H 1 2.731 0.003 . 2 4 . . . 59 Y HB3 . 16635 1 777 . 1 1 58 58 TYR HD1 H 1 6.324 0.001 . 3 4 . . . 59 Y QD . 16635 1 778 . 1 1 58 58 TYR HD2 H 1 6.324 0.001 . 3 4 . . . 59 Y QD . 16635 1 779 . 1 1 58 58 TYR HE1 H 1 6.624 0.003 . 3 4 . . . 59 Y QE . 16635 1 780 . 1 1 58 58 TYR HE2 H 1 6.624 0.003 . 3 4 . . . 59 Y QE . 16635 1 781 . 1 1 58 58 TYR C C 13 177.976 0.000 . 1 1 . . . 59 Y C . 16635 1 782 . 1 1 58 58 TYR CA C 13 62.215 0.091 . 1 3 . . . 59 Y CA . 16635 1 783 . 1 1 58 58 TYR CB C 13 37.814 0.022 . 1 5 . . . 59 Y CB . 16635 1 784 . 1 1 58 58 TYR CD1 C 13 132.812 0.029 . . 3 . . . 59 Y CD# . 16635 1 785 . 1 1 58 58 TYR CD2 C 13 132.812 0.029 . . 3 . . . 59 Y CD# . 16635 1 786 . 1 1 58 58 TYR CE1 C 13 118.002 0.018 . . 3 . . . 59 Y CE# . 16635 1 787 . 1 1 58 58 TYR CE2 C 13 118.002 0.018 . . 3 . . . 59 Y CE# . 16635 1 788 . 1 1 58 58 TYR N N 15 118.266 0.017 . 1 4 . . . 59 Y N . 16635 1 789 . 1 1 59 59 THR H H 1 7.896 0.004 . 1 4 . . . 60 T H . 16635 1 790 . 1 1 59 59 THR HA H 1 3.728 0.003 . 1 4 . . . 60 T HA . 16635 1 791 . 1 1 59 59 THR HB H 1 4.346 0.002 . 1 6 . . . 60 T HB . 16635 1 792 . 1 1 59 59 THR HG21 H 1 1.229 0.002 . . 6 . . . 60 T HG2 . 16635 1 793 . 1 1 59 59 THR HG22 H 1 1.229 0.002 . . 6 . . . 60 T HG2 . 16635 1 794 . 1 1 59 59 THR HG23 H 1 1.229 0.002 . . 6 . . . 60 T HG2 . 16635 1 795 . 1 1 59 59 THR C C 13 175.942 0.000 . 1 1 . . . 60 T C . 16635 1 796 . 1 1 59 59 THR CA C 13 66.987 0.107 . 1 3 . . . 60 T CA . 16635 1 797 . 1 1 59 59 THR CB C 13 68.644 0.062 . 1 4 . . . 60 T CB . 16635 1 798 . 1 1 59 59 THR CG2 C 13 21.964 0.007 . 1 3 . . . 60 T CG2 . 16635 1 799 . 1 1 59 59 THR N N 15 116.582 0.027 . 1 4 . . . 60 T N . 16635 1 800 . 1 1 60 60 ASP H H 1 8.715 0.002 . 1 4 . . . 61 D H . 16635 1 801 . 1 1 60 60 ASP HA H 1 4.356 0.001 . 1 4 . . . 61 D HA . 16635 1 802 . 1 1 60 60 ASP HB2 H 1 2.869 0.003 . 2 4 . . . 61 D HB2 . 16635 1 803 . 1 1 60 60 ASP HB3 H 1 2.499 0.002 . 2 4 . . . 61 D HB3 . 16635 1 804 . 1 1 60 60 ASP C C 13 178.811 0.000 . 1 1 . . . 61 D C . 16635 1 805 . 1 1 60 60 ASP CA C 13 57.805 0.048 . 1 3 . . . 61 D CA . 16635 1 806 . 1 1 60 60 ASP CB C 13 40.340 0.057 . 1 5 . . . 61 D CB . 16635 1 807 . 1 1 60 60 ASP N N 15 122.777 0.025 . 1 4 . . . 61 D N . 16635 1 808 . 1 1 61 61 LEU H H 1 8.076 0.001 . 1 4 . . . 62 L H . 16635 1 809 . 1 1 61 61 LEU HA H 1 3.253 0.001 . 1 12 . . . 62 L HA . 16635 1 810 . 1 1 61 61 LEU HB2 H 1 0.595 0.003 . 2 8 . . . 62 L HB2 . 16635 1 811 . 1 1 61 61 LEU HB3 H 1 -0.101 0.004 . 2 12 . . . 62 L HB3 . 16635 1 812 . 1 1 61 61 LEU HD11 H 1 -0.768 0.002 . 2 9 . . . 62 L MD1 . 16635 1 813 . 1 1 61 61 LEU HD12 H 1 -0.768 0.002 . 2 9 . . . 62 L MD1 . 16635 1 814 . 1 1 61 61 LEU HD13 H 1 -0.768 0.002 . 2 9 . . . 62 L MD1 . 16635 1 815 . 1 1 61 61 LEU HD21 H 1 -0.797 0.002 . 2 10 . . . 62 L MD2 . 16635 1 816 . 1 1 61 61 LEU HD22 H 1 -0.797 0.002 . 2 10 . . . 62 L MD2 . 16635 1 817 . 1 1 61 61 LEU HD23 H 1 -0.797 0.002 . 2 10 . . . 62 L MD2 . 16635 1 818 . 1 1 61 61 LEU HG H 1 0.351 0.002 . 1 9 . . . 62 L HG . 16635 1 819 . 1 1 61 61 LEU C C 13 177.552 0.000 . 1 1 . . . 62 L C . 16635 1 820 . 1 1 61 61 LEU CA C 13 57.623 0.012 . 1 7 . . . 62 L CA . 16635 1 821 . 1 1 61 61 LEU CB C 13 40.960 0.045 . 1 11 . . . 62 L CB . 16635 1 822 . 1 1 61 61 LEU CD1 C 13 21.612 0.024 . 2 5 . . . 62 L CD1 . 16635 1 823 . 1 1 61 61 LEU CD2 C 13 23.678 0.014 . 2 5 . . . 62 L CD2 . 16635 1 824 . 1 1 61 61 LEU CG C 13 25.124 0.031 . 1 4 . . . 62 L CG . 16635 1 825 . 1 1 61 61 LEU N N 15 120.072 0.026 . 1 4 . . . 62 L N . 16635 1 826 . 1 1 62 62 ASN H H 1 7.018 0.002 . 1 4 . . . 63 N H . 16635 1 827 . 1 1 62 62 ASN HA H 1 4.453 0.002 . 1 4 . . . 63 N HA . 16635 1 828 . 1 1 62 62 ASN HB2 H 1 2.830 0.000 . 2 2 . . . 63 N HB2 . 16635 1 829 . 1 1 62 62 ASN HB3 H 1 2.594 0.001 . 2 2 . . . 63 N HB3 . 16635 1 830 . 1 1 62 62 ASN HD21 H 1 7.091 0.000 . 2 1 . . . 63 N HD21 . 16635 1 831 . 1 1 62 62 ASN HD22 H 1 5.373 0.000 . 2 1 . . . 63 N HD22 . 16635 1 832 . 1 1 62 62 ASN C C 13 176.779 0.000 . 1 1 . . . 63 N C . 16635 1 833 . 1 1 62 62 ASN CA C 13 56.052 0.001 . 1 2 . . . 63 N CA . 16635 1 834 . 1 1 62 62 ASN CB C 13 44.349 6.768 . 1 4 . . . 63 N CB . 16635 1 835 . 1 1 62 62 ASN N N 15 112.417 0.004 . 1 4 . . . 63 N N . 16635 1 836 . 1 1 62 62 ASN ND2 N 15 112.678 0.008 . 1 2 . . . 63 N ND2 . 16635 1 837 . 1 1 63 63 ILE H H 1 7.743 0.001 . 1 4 . . . 64 I H . 16635 1 838 . 1 1 63 63 ILE HA H 1 4.388 0.002 . 1 10 . . . 64 I HA . 16635 1 839 . 1 1 63 63 ILE HB H 1 2.025 0.003 . 1 10 . . . 64 I HB . 16635 1 840 . 1 1 63 63 ILE HD11 H 1 0.834 0.003 . . 7 . . . 64 I HD1 . 16635 1 841 . 1 1 63 63 ILE HD12 H 1 0.834 0.003 . . 7 . . . 64 I HD1 . 16635 1 842 . 1 1 63 63 ILE HD13 H 1 0.834 0.003 . . 7 . . . 64 I HD1 . 16635 1 843 . 1 1 63 63 ILE HG12 H 1 1.427 0.007 . . 8 . . . 64 I QG1 . 16635 1 844 . 1 1 63 63 ILE HG13 H 1 1.427 0.007 . . 8 . . . 64 I QG1 . 16635 1 845 . 1 1 63 63 ILE HG21 H 1 0.921 0.002 . . 7 . . . 64 I HG2 . 16635 1 846 . 1 1 63 63 ILE HG22 H 1 0.921 0.002 . . 7 . . . 64 I HG2 . 16635 1 847 . 1 1 63 63 ILE HG23 H 1 0.921 0.002 . . 7 . . . 64 I HG2 . 16635 1 848 . 1 1 63 63 ILE C C 13 176.550 0.000 . 1 1 . . . 64 I C . 16635 1 849 . 1 1 63 63 ILE CA C 13 61.752 0.004 . 1 6 . . . 64 I CA . 16635 1 850 . 1 1 63 63 ILE CB C 13 39.490 0.019 . 1 6 . . . 64 I CB . 16635 1 851 . 1 1 63 63 ILE CD1 C 13 13.584 0.003 . 1 3 . . . 64 I CD1 . 16635 1 852 . 1 1 63 63 ILE CG1 C 13 27.030 0.019 . 1 4 . . . 64 I CG1 . 16635 1 853 . 1 1 63 63 ILE CG2 C 13 17.492 0.015 . 1 4 . . . 64 I CG2 . 16635 1 854 . 1 1 63 63 ILE N N 15 113.809 0.010 . 1 4 . . . 64 I N . 16635 1 855 . 1 1 64 64 ASP H H 1 8.020 0.002 . 1 4 . . . 65 D H . 16635 1 856 . 1 1 64 64 ASP HA H 1 4.438 0.003 . 1 4 . . . 65 D HA . 16635 1 857 . 1 1 64 64 ASP HB2 H 1 3.136 0.000 . 2 1 . . . 65 D HB2 . 16635 1 858 . 1 1 64 64 ASP HB3 H 1 2.893 0.000 . 2 1 . . . 65 D HB3 . 16635 1 859 . 1 1 64 64 ASP CA C 13 56.309 0.020 . 1 2 . . . 65 D CA . 16635 1 860 . 1 1 64 64 ASP CB C 13 43.267 0.063 . 1 3 . . . 65 D CB . 16635 1 861 . 1 1 64 64 ASP N N 15 124.195 0.052 . 1 4 . . . 65 D N . 16635 1 862 . 1 1 65 65 GLY H H 1 8.783 0.000 . 1 1 . . . 66 G H . 16635 1 863 . 1 1 65 65 GLY HA2 H 1 4.186 0.000 . 2 1 . . . 66 G HA2 . 16635 1 864 . 1 1 65 65 GLY HA3 H 1 3.958 0.000 . 2 1 . . . 66 G HA3 . 16635 1 865 . 1 1 65 65 GLY C C 13 176.049 0.000 . 1 1 . . . 66 G C . 16635 1 866 . 1 1 65 65 GLY CA C 13 46.093 0.000 . 1 1 . . . 66 G CA . 16635 1 867 . 1 1 65 65 GLY N N 15 110.323 0.000 . 1 1 . . . 66 G N . 16635 1 868 . 1 1 66 66 ARG H H 1 9.066 0.002 . 1 4 . . . 67 R H . 16635 1 869 . 1 1 66 66 ARG HA H 1 4.077 0.001 . 1 4 . . . 67 R HA . 16635 1 870 . 1 1 66 66 ARG HB2 H 1 1.692 0.001 . 2 2 . . . 67 R HB2 . 16635 1 871 . 1 1 66 66 ARG HB3 H 1 1.632 0.000 . 2 2 . . . 67 R HB3 . 16635 1 872 . 1 1 66 66 ARG HD2 H 1 2.984 0.003 . 2 5 . . . 67 R HD2 . 16635 1 873 . 1 1 66 66 ARG HD3 H 1 2.934 0.004 . 2 5 . . . 67 R HD3 . 16635 1 874 . 1 1 66 66 ARG HG2 H 1 1.691 0.000 . 2 1 . . . 67 R HG2 . 16635 1 875 . 1 1 66 66 ARG HG3 H 1 1.546 0.000 . 2 1 . . . 67 R HG3 . 16635 1 876 . 1 1 66 66 ARG C C 13 177.797 0.000 . 1 1 . . . 67 R C . 16635 1 877 . 1 1 66 66 ARG CA C 13 57.841 0.044 . 1 3 . . . 67 R CA . 16635 1 878 . 1 1 66 66 ARG CB C 13 30.120 0.020 . 1 5 . . . 67 R CB . 16635 1 879 . 1 1 66 66 ARG CD C 13 41.946 0.000 . 1 2 . . . 67 R CD . 16635 1 880 . 1 1 66 66 ARG CG C 13 26.165 0.002 . 1 2 . . . 67 R CG . 16635 1 881 . 1 1 66 66 ARG N N 15 118.022 0.014 . 1 4 . . . 67 R N . 16635 1 882 . 1 1 67 67 PHE H H 1 8.232 0.001 . 1 4 . . . 68 F H . 16635 1 883 . 1 1 67 67 PHE HA H 1 5.101 0.002 . 1 4 . . . 68 F HA . 16635 1 884 . 1 1 67 67 PHE HB2 H 1 3.478 0.003 . 2 4 . . . 68 F HB2 . 16635 1 885 . 1 1 67 67 PHE HB3 H 1 3.297 0.003 . 2 4 . . . 68 F HB3 . 16635 1 886 . 1 1 67 67 PHE HD1 H 1 7.235 0.003 . 3 4 . . . 68 F QD . 16635 1 887 . 1 1 67 67 PHE HD2 H 1 7.235 0.003 . 3 4 . . . 68 F QD . 16635 1 888 . 1 1 67 67 PHE HE1 H 1 7.065 0.001 . 3 3 . . . 68 F QE . 16635 1 889 . 1 1 67 67 PHE HE2 H 1 7.065 0.001 . 3 3 . . . 68 F QE . 16635 1 890 . 1 1 67 67 PHE HZ H 1 7.488 0.015 . 1 4 . . . 68 F HZ . 16635 1 891 . 1 1 67 67 PHE C C 13 174.089 0.000 . 1 1 . . . 68 F C . 16635 1 892 . 1 1 67 67 PHE CA C 13 56.912 0.010 . 1 3 . . . 68 F CA . 16635 1 893 . 1 1 67 67 PHE CB C 13 41.553 0.024 . 1 5 . . . 68 F CB . 16635 1 894 . 1 1 67 67 PHE CD1 C 13 132.862 0.021 . . 2 . . . 68 F CD# . 16635 1 895 . 1 1 67 67 PHE CD2 C 13 132.862 0.021 . . 2 . . . 68 F CD# . 16635 1 896 . 1 1 67 67 PHE CE1 C 13 130.403 0.026 . . 3 . . . 68 F CE# . 16635 1 897 . 1 1 67 67 PHE CE2 C 13 130.403 0.026 . . 3 . . . 68 F CE# . 16635 1 898 . 1 1 67 67 PHE CZ C 13 131.051 0.006 . 1 2 . . . 68 F CZ . 16635 1 899 . 1 1 67 67 PHE N N 15 119.054 0.052 . 1 4 . . . 68 F N . 16635 1 900 . 1 1 68 68 LEU H H 1 8.712 0.001 . 1 4 . . . 69 L H . 16635 1 901 . 1 1 68 68 LEU HA H 1 4.612 0.001 . 1 10 . . . 69 L HA . 16635 1 902 . 1 1 68 68 LEU HB2 H 1 1.253 0.004 . 2 7 . . . 69 L HB2 . 16635 1 903 . 1 1 68 68 LEU HB3 H 1 1.027 0.003 . 2 5 . . . 69 L HB3 . 16635 1 904 . 1 1 68 68 LEU HD11 H 1 0.757 0.001 . 2 7 . . . 69 L MD1 . 16635 1 905 . 1 1 68 68 LEU HD12 H 1 0.757 0.001 . 2 7 . . . 69 L MD1 . 16635 1 906 . 1 1 68 68 LEU HD13 H 1 0.757 0.001 . 2 7 . . . 69 L MD1 . 16635 1 907 . 1 1 68 68 LEU HD21 H 1 0.549 0.004 . 2 10 . . . 69 L MD2 . 16635 1 908 . 1 1 68 68 LEU HD22 H 1 0.549 0.004 . 2 10 . . . 69 L MD2 . 16635 1 909 . 1 1 68 68 LEU HD23 H 1 0.549 0.004 . 2 10 . . . 69 L MD2 . 16635 1 910 . 1 1 68 68 LEU HG H 1 1.092 0.003 . 1 9 . . . 69 L HG . 16635 1 911 . 1 1 68 68 LEU C C 13 172.966 0.000 . 1 1 . . . 69 L C . 16635 1 912 . 1 1 68 68 LEU CA C 13 54.014 0.034 . 1 6 . . . 69 L CA . 16635 1 913 . 1 1 68 68 LEU CB C 13 46.641 0.077 . 1 8 . . . 69 L CB . 16635 1 914 . 1 1 68 68 LEU CD1 C 13 24.070 0.013 . 2 2 . . . 69 L CD1 . 16635 1 915 . 1 1 68 68 LEU CD2 C 13 25.927 0.019 . 2 5 . . . 69 L CD2 . 16635 1 916 . 1 1 68 68 LEU CG C 13 26.953 0.021 . 1 5 . . . 69 L CG . 16635 1 917 . 1 1 68 68 LEU N N 15 122.527 0.011 . 1 4 . . . 69 L N . 16635 1 918 . 1 1 69 69 ALA H H 1 8.113 0.002 . 1 4 . . . 70 A H . 16635 1 919 . 1 1 69 69 ALA HA H 1 3.551 0.003 . 1 2 . . . 70 A HA . 16635 1 920 . 1 1 69 69 ALA HB1 H 1 0.322 0.002 . 1 4 . . . 70 A MB . 16635 1 921 . 1 1 69 69 ALA HB2 H 1 0.322 0.002 . 1 4 . . . 70 A MB . 16635 1 922 . 1 1 69 69 ALA HB3 H 1 0.322 0.002 . 1 4 . . . 70 A MB . 16635 1 923 . 1 1 69 69 ALA C C 13 177.105 0.000 . 1 1 . . . 70 A C . 16635 1 924 . 1 1 69 69 ALA CA C 13 50.882 0.008 . 1 2 . . . 70 A CA . 16635 1 925 . 1 1 69 69 ALA CB C 13 17.208 0.038 . 1 3 . . . 70 A CB . 16635 1 926 . 1 1 69 69 ALA N N 15 128.807 0.012 . 1 4 . . . 70 A N . 16635 1 927 . 1 1 70 70 LEU H H 1 8.180 0.002 . 1 4 . . . 71 L H . 16635 1 928 . 1 1 70 70 LEU HA H 1 4.221 0.003 . 1 10 . . . 71 L HA . 16635 1 929 . 1 1 70 70 LEU HB2 H 1 1.633 0.000 . 2 2 . . . 71 L HB2 . 16635 1 930 . 1 1 70 70 LEU HB3 H 1 1.421 0.003 . 2 2 . . . 71 L HB3 . 16635 1 931 . 1 1 70 70 LEU HD11 H 1 0.708 0.006 . 2 6 . . . 71 L MD1 . 16635 1 932 . 1 1 70 70 LEU HD12 H 1 0.708 0.006 . 2 6 . . . 71 L MD1 . 16635 1 933 . 1 1 70 70 LEU HD13 H 1 0.708 0.006 . 2 6 . . . 71 L MD1 . 16635 1 934 . 1 1 70 70 LEU HD21 H 1 0.474 0.002 . 2 10 . . . 71 L MD2 . 16635 1 935 . 1 1 70 70 LEU HD22 H 1 0.474 0.002 . 2 10 . . . 71 L MD2 . 16635 1 936 . 1 1 70 70 LEU HD23 H 1 0.474 0.002 . 2 10 . . . 71 L MD2 . 16635 1 937 . 1 1 70 70 LEU HG H 1 1.319 0.005 . 1 6 . . . 71 L HG . 16635 1 938 . 1 1 70 70 LEU C C 13 178.664 0.000 . 1 1 . . . 71 L C . 16635 1 939 . 1 1 70 70 LEU CA C 13 54.431 0.023 . 1 7 . . . 71 L CA . 16635 1 940 . 1 1 70 70 LEU CB C 13 42.202 0.022 . 1 3 . . . 71 L CB . 16635 1 941 . 1 1 70 70 LEU CD1 C 13 24.687 0.018 . 2 3 . . . 71 L CD1 . 16635 1 942 . 1 1 70 70 LEU CD2 C 13 23.331 0.013 . 2 4 . . . 71 L CD2 . 16635 1 943 . 1 1 70 70 LEU CG C 13 28.133 0.006 . 1 3 . . . 71 L CG . 16635 1 944 . 1 1 70 70 LEU N N 15 125.523 0.032 . 1 4 . . . 71 L N . 16635 1 945 . 1 1 71 71 SER H H 1 8.268 0.002 . 1 4 . . . 72 S H . 16635 1 946 . 1 1 71 71 SER HA H 1 4.119 0.002 . 1 4 . . . 72 S HA . 16635 1 947 . 1 1 71 71 SER HB2 H 1 3.916 0.004 . 2 6 . . . 72 S HB2 . 16635 1 948 . 1 1 71 71 SER HB3 H 1 3.859 0.002 . 2 6 . . . 72 S HB3 . 16635 1 949 . 1 1 71 71 SER C C 13 174.035 0.000 . 1 1 . . . 72 S C . 16635 1 950 . 1 1 71 71 SER CA C 13 60.015 0.050 . 1 3 . . . 72 S CA . 16635 1 951 . 1 1 71 71 SER CB C 13 63.289 0.035 . 1 7 . . . 72 S CB . 16635 1 952 . 1 1 71 71 SER N N 15 114.850 0.017 . 1 4 . . . 72 S N . 16635 1 953 . 1 1 72 72 ASP H H 1 8.125 0.002 . 1 4 . . . 73 D H . 16635 1 954 . 1 1 72 72 ASP HA H 1 4.439 0.003 . 1 4 . . . 73 D HA . 16635 1 955 . 1 1 72 72 ASP HB2 H 1 2.871 0.007 . 2 4 . . . 73 D HB2 . 16635 1 956 . 1 1 72 72 ASP HB3 H 1 2.575 0.006 . 2 4 . . . 73 D HB3 . 16635 1 957 . 1 1 72 72 ASP C C 13 176.012 0.000 . 1 1 . . . 73 D C . 16635 1 958 . 1 1 72 72 ASP CA C 13 54.089 0.040 . 1 3 . . . 73 D CA . 16635 1 959 . 1 1 72 72 ASP CB C 13 39.529 0.037 . 1 5 . . . 73 D CB . 16635 1 960 . 1 1 72 72 ASP N N 15 119.733 0.038 . 1 4 . . . 73 D N . 16635 1 961 . 1 1 73 73 GLN H H 1 8.166 0.002 . 1 4 . . . 74 Q H . 16635 1 962 . 1 1 73 73 GLN HA H 1 3.991 0.001 . 1 3 . . . 74 Q HA . 16635 1 963 . 1 1 73 73 GLN HB2 H 1 2.435 0.005 . 2 5 . . . 74 Q QB . 16635 1 964 . 1 1 73 73 GLN HB3 H 1 2.435 0.005 . 2 5 . . . 74 Q QB . 16635 1 965 . 1 1 73 73 GLN HE21 H 1 7.506 0.000 . 2 1 . . . 74 Q HE21 . 16635 1 966 . 1 1 73 73 GLN HE22 H 1 6.789 0.000 . 2 1 . . . 74 Q HE22 . 16635 1 967 . 1 1 73 73 GLN HG2 H 1 2.335 0.001 . 2 4 . . . 74 Q QG . 16635 1 968 . 1 1 73 73 GLN HG3 H 1 2.335 0.001 . 2 4 . . . 74 Q QG . 16635 1 969 . 1 1 73 73 GLN C C 13 175.526 0.000 . 1 1 . . . 74 Q C . 16635 1 970 . 1 1 73 73 GLN CA C 13 57.293 0.001 . 1 2 . . . 74 Q CA . 16635 1 971 . 1 1 73 73 GLN CB C 13 26.737 0.077 . 1 4 . . . 74 Q CB . 16635 1 972 . 1 1 73 73 GLN CG C 13 34.514 0.016 . 1 2 . . . 74 Q CG . 16635 1 973 . 1 1 73 73 GLN N N 15 110.862 0.004 . 1 4 . . . 74 Q N . 16635 1 974 . 1 1 73 73 GLN NE2 N 15 112.832 0.006 . 1 2 . . . 74 Q NE2 . 16635 1 975 . 1 1 74 74 THR H H 1 7.224 0.001 . 1 4 . . . 75 T H . 16635 1 976 . 1 1 74 74 THR HA H 1 4.638 0.002 . 1 3 . . . 75 T HA . 16635 1 977 . 1 1 74 74 THR HB H 1 3.881 0.005 . 1 6 . . . 75 T HB . 16635 1 978 . 1 1 74 74 THR HG21 H 1 1.064 0.005 . . 5 . . . 75 T HG2 . 16635 1 979 . 1 1 74 74 THR HG22 H 1 1.064 0.005 . . 5 . . . 75 T HG2 . 16635 1 980 . 1 1 74 74 THR HG23 H 1 1.064 0.005 . . 5 . . . 75 T HG2 . 16635 1 981 . 1 1 74 74 THR C C 13 172.624 0.000 . 1 1 . . . 75 T C . 16635 1 982 . 1 1 74 74 THR CA C 13 61.802 0.024 . 1 3 . . . 75 T CA . 16635 1 983 . 1 1 74 74 THR CB C 13 71.451 0.026 . 1 4 . . . 75 T CB . 16635 1 984 . 1 1 74 74 THR CG2 C 13 22.020 0.000 . 1 2 . . . 75 T CG2 . 16635 1 985 . 1 1 74 74 THR N N 15 110.291 0.016 . 1 4 . . . 75 T N . 16635 1 986 . 1 1 75 75 TRP H H 1 8.588 0.001 . 1 4 . . . 76 W H . 16635 1 987 . 1 1 75 75 TRP HA H 1 5.218 0.003 . 1 4 . . . 76 W HA . 16635 1 988 . 1 1 75 75 TRP HB2 H 1 3.323 0.001 . 2 4 . . . 76 W QB . 16635 1 989 . 1 1 75 75 TRP HB3 H 1 3.323 0.001 . 2 4 . . . 76 W QB . 16635 1 990 . 1 1 75 75 TRP HD1 H 1 7.181 0.003 . 1 2 . . . 76 W HD1 . 16635 1 991 . 1 1 75 75 TRP HE1 H 1 9.885 0.003 . 1 5 . . . 76 W HE1 . 16635 1 992 . 1 1 75 75 TRP HE3 H 1 7.347 0.002 . 1 3 . . . 76 W HE3 . 16635 1 993 . 1 1 75 75 TRP HH2 H 1 6.709 0.001 . 1 3 . . . 76 W HH2 . 16635 1 994 . 1 1 75 75 TRP HZ2 H 1 6.983 0.006 . 1 5 . . . 76 W HZ2 . 16635 1 995 . 1 1 75 75 TRP HZ3 H 1 6.741 0.004 . 1 4 . . . 76 W HZ3 . 16635 1 996 . 1 1 75 75 TRP C C 13 174.701 0.000 . 1 1 . . . 76 W C . 16635 1 997 . 1 1 75 75 TRP CA C 13 57.036 0.086 . 1 3 . . . 76 W CA . 16635 1 998 . 1 1 75 75 TRP CB C 13 33.551 0.075 . 1 3 . . . 76 W CB . 16635 1 999 . 1 1 75 75 TRP CD1 C 13 124.337 0.002 . 1 2 . . . 76 W CD1 . 16635 1 1000 . 1 1 75 75 TRP CE3 C 13 119.676 0.098 . 1 2 . . . 76 W CE3 . 16635 1 1001 . 1 1 75 75 TRP CH2 C 13 124.451 0.029 . 1 2 . . . 76 W CH2 . 16635 1 1002 . 1 1 75 75 TRP CZ2 C 13 113.898 0.009 . 1 3 . . . 76 W CZ2 . 16635 1 1003 . 1 1 75 75 TRP CZ3 C 13 122.334 0.018 . 1 3 . . . 76 W CZ3 . 16635 1 1004 . 1 1 75 75 TRP N N 15 121.650 0.027 . 1 4 . . . 76 W N . 16635 1 1005 . 1 1 75 75 TRP NE1 N 15 126.499 0.000 . 1 1 . . . 76 W NE1 . 16635 1 1006 . 1 1 76 76 GLY H H 1 8.558 0.002 . 1 3 . . . 77 G H . 16635 1 1007 . 1 1 76 76 GLY HA2 H 1 3.821 0.005 . 2 4 . . . 77 G HA2 . 16635 1 1008 . 1 1 76 76 GLY HA3 H 1 3.434 0.003 . 2 4 . . . 77 G HA3 . 16635 1 1009 . 1 1 76 76 GLY C C 13 171.649 0.000 . 1 1 . . . 77 G C . 16635 1 1010 . 1 1 76 76 GLY CA C 13 44.290 0.053 . 1 5 . . . 77 G CA . 16635 1 1011 . 1 1 76 76 GLY N N 15 104.321 0.007 . 1 3 . . . 77 G N . 16635 1 1012 . 1 1 77 77 LEU H H 1 4.067 0.004 . 1 2 . . . 78 L H . 16635 1 1013 . 1 1 77 77 LEU HA H 1 4.398 0.002 . 1 12 . . . 78 L HA . 16635 1 1014 . 1 1 77 77 LEU HB2 H 1 0.754 0.002 . 2 8 . . . 78 L HB2 . 16635 1 1015 . 1 1 77 77 LEU HB3 H 1 -0.739 0.002 . 2 6 . . . 78 L HB3 . 16635 1 1016 . 1 1 77 77 LEU HD11 H 1 0.481 0.003 . 2 11 . . . 78 L MD1 . 16635 1 1017 . 1 1 77 77 LEU HD12 H 1 0.481 0.003 . 2 11 . . . 78 L MD1 . 16635 1 1018 . 1 1 77 77 LEU HD13 H 1 0.481 0.003 . 2 11 . . . 78 L MD1 . 16635 1 1019 . 1 1 77 77 LEU HD21 H 1 0.177 0.004 . 2 11 . . . 78 L MD2 . 16635 1 1020 . 1 1 77 77 LEU HD22 H 1 0.177 0.004 . 2 11 . . . 78 L MD2 . 16635 1 1021 . 1 1 77 77 LEU HD23 H 1 0.177 0.004 . 2 11 . . . 78 L MD2 . 16635 1 1022 . 1 1 77 77 LEU HG H 1 0.352 0.002 . 1 8 . . . 78 L HG . 16635 1 1023 . 1 1 77 77 LEU C C 13 176.837 0.000 . 1 1 . . . 78 L C . 16635 1 1024 . 1 1 77 77 LEU CA C 13 52.481 0.009 . 1 6 . . . 78 L CA . 16635 1 1025 . 1 1 77 77 LEU CB C 13 40.134 0.025 . 1 9 . . . 78 L CB . 16635 1 1026 . 1 1 77 77 LEU CD1 C 13 24.498 0.023 . 2 5 . . . 78 L CD1 . 16635 1 1027 . 1 1 77 77 LEU CD2 C 13 23.974 0.013 . 2 5 . . . 78 L CD2 . 16635 1 1028 . 1 1 77 77 LEU CG C 13 25.990 0.004 . 1 3 . . . 78 L CG . 16635 1 1029 . 1 1 77 77 LEU N N 15 115.960 0.005 . 1 2 . . . 78 L N . 16635 1 1030 . 1 1 78 78 ARG H H 1 8.112 0.002 . 1 4 . . . 79 R H . 16635 1 1031 . 1 1 78 78 ARG HA H 1 3.793 0.001 . 1 7 . . . 79 R HA . 16635 1 1032 . 1 1 78 78 ARG HB2 H 1 1.667 0.002 . 2 4 . . . 79 R HB2 . 16635 1 1033 . 1 1 78 78 ARG HB3 H 1 1.463 0.001 . 2 3 . . . 79 R HB3 . 16635 1 1034 . 1 1 78 78 ARG HD2 H 1 3.266 0.003 . 2 10 . . . 79 R HD2 . 16635 1 1035 . 1 1 78 78 ARG HD3 H 1 3.156 0.005 . 2 11 . . . 79 R HD3 . 16635 1 1036 . 1 1 78 78 ARG HE H 1 7.098 0.000 . 1 2 . . . 79 R HE . 16635 1 1037 . 1 1 78 78 ARG HG2 H 1 1.626 0.002 . 2 5 . . . 79 R HG2 . 16635 1 1038 . 1 1 78 78 ARG HG3 H 1 1.474 0.003 . 2 4 . . . 79 R HG3 . 16635 1 1039 . 1 1 78 78 ARG C C 13 178.120 0.000 . 1 1 . . . 79 R C . 16635 1 1040 . 1 1 78 78 ARG CA C 13 59.164 0.029 . 1 3 . . . 79 R CA . 16635 1 1041 . 1 1 78 78 ARG CB C 13 30.191 0.043 . 1 6 . . . 79 R CB . 16635 1 1042 . 1 1 78 78 ARG CD C 13 43.173 0.019 . 1 10 . . . 79 R CD . 16635 1 1043 . 1 1 78 78 ARG CG C 13 27.850 0.065 . 1 7 . . . 79 R CG . 16635 1 1044 . 1 1 78 78 ARG N N 15 122.556 0.011 . 1 4 . . . 79 R N . 16635 1 1045 . 1 1 78 78 ARG NE N 15 83.672 0.012 . 1 2 . . . 79 R NE . 16635 1 1046 . 1 1 79 79 SER H H 1 8.165 0.002 . 1 4 . . . 80 S H . 16635 1 1047 . 1 1 79 79 SER HA H 1 4.118 0.001 . 1 5 . . . 80 S HA . 16635 1 1048 . 1 1 79 79 SER HB2 H 1 3.985 0.004 . 2 5 . . . 80 S HB2 . 16635 1 1049 . 1 1 79 79 SER HB3 H 1 3.716 0.006 . 2 4 . . . 80 S HB3 . 16635 1 1050 . 1 1 79 79 SER C C 13 175.474 0.000 . 1 1 . . . 80 S C . 16635 1 1051 . 1 1 79 79 SER CA C 13 59.880 0.012 . 1 4 . . . 80 S CA . 16635 1 1052 . 1 1 79 79 SER CB C 13 62.472 0.026 . 1 5 . . . 80 S CB . 16635 1 1053 . 1 1 79 79 SER N N 15 111.914 0.013 . 1 4 . . . 80 S N . 16635 1 1054 . 1 1 80 80 TRP H H 1 7.214 0.002 . 1 4 . . . 81 W H . 16635 1 1055 . 1 1 80 80 TRP HA H 1 4.576 0.000 . 1 3 . . . 81 W HA . 16635 1 1056 . 1 1 80 80 TRP HB2 H 1 2.955 0.009 . 2 3 . . . 81 W HB2 . 16635 1 1057 . 1 1 80 80 TRP HB3 H 1 2.538 0.003 . 2 4 . . . 81 W HB3 . 16635 1 1058 . 1 1 80 80 TRP HD1 H 1 6.903 0.001 . 1 3 . . . 81 W HD1 . 16635 1 1059 . 1 1 80 80 TRP HE1 H 1 10.458 0.015 . 1 3 . . . 81 W HE1 . 16635 1 1060 . 1 1 80 80 TRP HE3 H 1 7.683 0.002 . 1 3 . . . 81 W HE3 . 16635 1 1061 . 1 1 80 80 TRP HH2 H 1 7.218 0.001 . 1 3 . . . 81 W HH2 . 16635 1 1062 . 1 1 80 80 TRP HZ2 H 1 7.575 0.006 . 1 5 . . . 81 W HZ2 . 16635 1 1063 . 1 1 80 80 TRP HZ3 H 1 6.742 0.001 . 1 3 . . . 81 W HZ3 . 16635 1 1064 . 1 1 80 80 TRP C C 13 175.829 0.000 . 1 1 . . . 81 W C . 16635 1 1065 . 1 1 80 80 TRP CA C 13 55.358 0.038 . 1 2 . . . 81 W CA . 16635 1 1066 . 1 1 80 80 TRP CB C 13 28.685 0.051 . 1 5 . . . 81 W CB . 16635 1 1067 . 1 1 80 80 TRP CD1 C 13 124.806 0.037 . 1 3 . . . 81 W CD1 . 16635 1 1068 . 1 1 80 80 TRP CE3 C 13 120.372 0.062 . 1 2 . . . 81 W CE3 . 16635 1 1069 . 1 1 80 80 TRP CH2 C 13 124.694 0.006 . 1 2 . . . 81 W CH2 . 16635 1 1070 . 1 1 80 80 TRP CZ2 C 13 115.126 0.012 . 1 3 . . . 81 W CZ2 . 16635 1 1071 . 1 1 80 80 TRP CZ3 C 13 120.544 0.000 . 1 2 . . . 81 W CZ3 . 16635 1 1072 . 1 1 80 80 TRP N N 15 120.941 0.018 . 1 4 . . . 81 W N . 16635 1 1073 . 1 1 80 80 TRP NE1 N 15 129.723 0.000 . 1 1 . . . 81 W NE1 . 16635 1 1074 . 1 1 81 81 TYR H H 1 7.613 0.001 . 1 4 . . . 82 Y H . 16635 1 1075 . 1 1 81 81 TYR HA H 1 4.931 0.002 . 1 4 . . . 82 Y HA . 16635 1 1076 . 1 1 81 81 TYR HB2 H 1 3.024 0.001 . 2 4 . . . 82 Y HB2 . 16635 1 1077 . 1 1 81 81 TYR HB3 H 1 2.632 0.002 . 2 4 . . . 82 Y HB3 . 16635 1 1078 . 1 1 81 81 TYR HD1 H 1 7.119 0.006 . 3 3 . . . 82 Y QD . 16635 1 1079 . 1 1 81 81 TYR HD2 H 1 7.119 0.006 . 3 3 . . . 82 Y QD . 16635 1 1080 . 1 1 81 81 TYR HE1 H 1 6.791 0.000 . 3 3 . . . 82 Y QE . 16635 1 1081 . 1 1 81 81 TYR HE2 H 1 6.791 0.000 . 3 3 . . . 82 Y QE . 16635 1 1082 . 1 1 81 81 TYR CA C 13 55.411 0.013 . 1 3 . . . 82 Y CA . 16635 1 1083 . 1 1 81 81 TYR CB C 13 39.126 0.019 . 1 5 . . . 82 Y CB . 16635 1 1084 . 1 1 81 81 TYR CD1 C 13 134.472 0.015 . . 2 . . . 82 Y CD# . 16635 1 1085 . 1 1 81 81 TYR CD2 C 13 134.472 0.015 . . 2 . . . 82 Y CD# . 16635 1 1086 . 1 1 81 81 TYR CE1 C 13 118.208 0.014 . . 2 . . . 82 Y CE# . 16635 1 1087 . 1 1 81 81 TYR CE2 C 13 118.208 0.014 . . 2 . . . 82 Y CE# . 16635 1 1088 . 1 1 81 81 TYR N N 15 117.670 0.014 . 1 4 . . . 82 Y N . 16635 1 1089 . 1 1 82 82 PRO HA H 1 4.416 0.002 . 1 11 . . . 83 P HA . 16635 1 1090 . 1 1 82 82 PRO HB2 H 1 2.179 0.001 . 2 7 . . . 83 P HB2 . 16635 1 1091 . 1 1 82 82 PRO HB3 H 1 1.836 0.006 . 2 6 . . . 83 P HB3 . 16635 1 1092 . 1 1 82 82 PRO HD2 H 1 3.641 0.001 . 2 9 . . . 83 P QD . 16635 1 1093 . 1 1 82 82 PRO HD3 H 1 3.641 0.001 . 2 9 . . . 83 P QD . 16635 1 1094 . 1 1 82 82 PRO HG2 H 1 1.952 0.003 . 2 6 . . . 83 P HG2 . 16635 1 1095 . 1 1 82 82 PRO HG3 H 1 1.870 0.001 . 2 3 . . . 83 P HG3 . 16635 1 1096 . 1 1 82 82 PRO C C 13 177.108 0.000 . 1 1 . . . 83 P C . 16635 1 1097 . 1 1 82 82 PRO CA C 13 63.391 0.041 . 1 6 . . . 83 P CA . 16635 1 1098 . 1 1 82 82 PRO CB C 13 31.801 0.047 . 1 7 . . . 83 P CB . 16635 1 1099 . 1 1 82 82 PRO CD C 13 50.472 0.021 . 1 4 . . . 83 P CD . 16635 1 1100 . 1 1 82 82 PRO CG C 13 27.253 0.000 . 1 6 . . . 83 P CG . 16635 1 1101 . 1 1 83 83 TYR H H 1 8.269 0.002 . 1 6 . . . 84 Y H . 16635 1 1102 . 1 1 83 83 TYR HA H 1 4.558 0.001 . 1 4 . . . 84 Y HA . 16635 1 1103 . 1 1 83 83 TYR HB2 H 1 3.090 0.001 . 2 4 . . . 84 Y HB2 . 16635 1 1104 . 1 1 83 83 TYR HB3 H 1 2.934 0.003 . 2 4 . . . 84 Y HB3 . 16635 1 1105 . 1 1 83 83 TYR HD1 H 1 7.114 0.002 . 3 3 . . . 84 Y QD . 16635 1 1106 . 1 1 83 83 TYR HD2 H 1 7.114 0.002 . 3 3 . . . 84 Y QD . 16635 1 1107 . 1 1 83 83 TYR HE1 H 1 6.771 0.012 . 3 3 . . . 84 Y QE . 16635 1 1108 . 1 1 83 83 TYR HE2 H 1 6.771 0.012 . 3 3 . . . 84 Y QE . 16635 1 1109 . 1 1 83 83 TYR C C 13 175.660 0.000 . 1 1 . . . 84 Y C . 16635 1 1110 . 1 1 83 83 TYR CA C 13 57.857 0.026 . 1 3 . . . 84 Y CA . 16635 1 1111 . 1 1 83 83 TYR CB C 13 38.619 0.035 . 1 5 . . . 84 Y CB . 16635 1 1112 . 1 1 83 83 TYR CD1 C 13 133.330 0.009 . . 2 . . . 84 Y CD# . 16635 1 1113 . 1 1 83 83 TYR CD2 C 13 133.330 0.009 . . 2 . . . 84 Y CD# . 16635 1 1114 . 1 1 83 83 TYR CE1 C 13 118.717 0.083 . . 2 . . . 84 Y CE# . 16635 1 1115 . 1 1 83 83 TYR CE2 C 13 118.717 0.083 . . 2 . . . 84 Y CE# . 16635 1 1116 . 1 1 83 83 TYR N N 15 120.399 0.056 . 1 6 . . . 84 Y N . 16635 1 1117 . 1 1 84 84 ASP H H 1 8.242 0.002 . 1 4 . . . 85 D H . 16635 1 1118 . 1 1 84 84 ASP HA H 1 4.548 0.002 . 1 2 . . . 85 D HA . 16635 1 1119 . 1 1 84 84 ASP HB2 H 1 2.609 0.001 . 2 4 . . . 85 D QB . 16635 1 1120 . 1 1 84 84 ASP HB3 H 1 2.609 0.001 . 2 4 . . . 85 D QB . 16635 1 1121 . 1 1 84 84 ASP C C 13 175.839 0.000 . 1 1 . . . 85 D C . 16635 1 1122 . 1 1 84 84 ASP CA C 13 54.496 0.059 . 1 2 . . . 85 D CA . 16635 1 1123 . 1 1 84 84 ASP CB C 13 41.055 0.055 . 1 3 . . . 85 D CB . 16635 1 1124 . 1 1 84 84 ASP N N 15 121.020 0.008 . 1 4 . . . 85 D N . 16635 1 1125 . 1 1 85 85 GLN H H 1 8.102 0.002 . 1 4 . . . 86 Q H . 16635 1 1126 . 1 1 85 85 GLN HA H 1 4.257 0.004 . 1 7 . . . 86 Q HA . 16635 1 1127 . 1 1 85 85 GLN HB2 H 1 2.095 0.004 . 2 6 . . . 86 Q HB2 . 16635 1 1128 . 1 1 85 85 GLN HB3 H 1 1.960 0.003 . 2 5 . . . 86 Q HB3 . 16635 1 1129 . 1 1 85 85 GLN HE21 H 1 7.561 0.000 . 2 1 . . . 86 Q HE21 . 16635 1 1130 . 1 1 85 85 GLN HE22 H 1 6.761 0.000 . 2 1 . . . 86 Q HE22 . 16635 1 1131 . 1 1 85 85 GLN HG2 H 1 2.326 0.002 . 2 6 . . . 86 Q HG2 . 16635 1 1132 . 1 1 85 85 GLN HG3 H 1 2.283 0.001 . 2 7 . . . 86 Q HG3 . 16635 1 1133 . 1 1 85 85 GLN C C 13 175.756 0.000 . 1 1 . . . 86 Q C . 16635 1 1134 . 1 1 85 85 GLN CA C 13 55.985 0.041 . 1 4 . . . 86 Q CA . 16635 1 1135 . 1 1 85 85 GLN CB C 13 29.364 0.023 . 1 5 . . . 86 Q CB . 16635 1 1136 . 1 1 85 85 GLN CG C 13 33.994 0.000 . 1 7 . . . 86 Q CG . 16635 1 1137 . 1 1 85 85 GLN N N 15 119.880 0.015 . 1 4 . . . 86 Q N . 16635 1 1138 . 1 1 85 85 GLN NE2 N 15 112.560 0.028 . 1 2 . . . 86 Q NE2 . 16635 1 1139 . 1 1 86 86 LEU H H 1 8.220 0.002 . 1 4 . . . 87 L H . 16635 1 1140 . 1 1 86 86 LEU HA H 1 4.299 0.001 . 1 9 . . . 87 L HA . 16635 1 1141 . 1 1 86 86 LEU HB2 H 1 1.607 0.004 . 2 4 . . . 87 L HB2 . 16635 1 1142 . 1 1 86 86 LEU HB3 H 1 1.534 0.002 . 2 4 . . . 87 L HB3 . 16635 1 1143 . 1 1 86 86 LEU HD11 H 1 0.856 0.002 . 2 7 . . . 87 L MD1 . 16635 1 1144 . 1 1 86 86 LEU HD12 H 1 0.856 0.002 . 2 7 . . . 87 L MD1 . 16635 1 1145 . 1 1 86 86 LEU HD13 H 1 0.856 0.002 . 2 7 . . . 87 L MD1 . 16635 1 1146 . 1 1 86 86 LEU HD21 H 1 0.798 0.003 . 2 8 . . . 87 L MD2 . 16635 1 1147 . 1 1 86 86 LEU HD22 H 1 0.798 0.003 . 2 8 . . . 87 L MD2 . 16635 1 1148 . 1 1 86 86 LEU HD23 H 1 0.798 0.003 . 2 8 . . . 87 L MD2 . 16635 1 1149 . 1 1 86 86 LEU HG H 1 1.571 0.004 . 1 4 . . . 87 L HG . 16635 1 1150 . 1 1 86 86 LEU C C 13 177.181 0.000 . 1 1 . . . 87 L C . 16635 1 1151 . 1 1 86 86 LEU CA C 13 55.267 0.016 . 1 5 . . . 87 L CA . 16635 1 1152 . 1 1 86 86 LEU CB C 13 42.365 0.023 . 1 7 . . . 87 L CB . 16635 1 1153 . 1 1 86 86 LEU CD1 C 13 24.941 0.006 . 2 2 . . . 87 L CD1 . 16635 1 1154 . 1 1 86 86 LEU CD2 C 13 23.417 0.044 . 2 3 . . . 87 L CD2 . 16635 1 1155 . 1 1 86 86 LEU CG C 13 26.982 0.007 . 1 3 . . . 87 L CG . 16635 1 1156 . 1 1 86 86 LEU N N 15 122.941 0.023 . 1 4 . . . 87 L N . 16635 1 1157 . 1 1 87 87 ASP H H 1 8.270 0.001 . 1 4 . . . 88 D H . 16635 1 1158 . 1 1 87 87 ASP HA H 1 4.565 0.003 . 1 2 . . . 88 D HA . 16635 1 1159 . 1 1 87 87 ASP HB2 H 1 2.691 0.009 . 2 4 . . . 88 D QB . 16635 1 1160 . 1 1 87 87 ASP HB3 H 1 2.691 0.009 . 2 4 . . . 88 D QB . 16635 1 1161 . 1 1 87 87 ASP C C 13 176.443 0.000 . 1 1 . . . 88 D C . 16635 1 1162 . 1 1 87 87 ASP CA C 13 54.486 0.014 . 1 2 . . . 88 D CA . 16635 1 1163 . 1 1 87 87 ASP CB C 13 41.032 0.020 . 1 3 . . . 88 D CB . 16635 1 1164 . 1 1 87 87 ASP N N 15 121.223 0.025 . 1 4 . . . 88 D N . 16635 1 1165 . 1 1 88 88 GLU H H 1 8.392 0.002 . 1 4 . . . 89 E H . 16635 1 1166 . 1 1 88 88 GLU HA H 1 4.163 0.000 . 1 6 . . . 89 E HA . 16635 1 1167 . 1 1 88 88 GLU HB2 H 1 2.039 0.001 . 2 3 . . . 89 E HB2 . 16635 1 1168 . 1 1 88 88 GLU HB3 H 1 1.942 0.000 . 2 3 . . . 89 E HB3 . 16635 1 1169 . 1 1 88 88 GLU HG2 H 1 2.236 0.003 . 2 4 . . . 89 E QG . 16635 1 1170 . 1 1 88 88 GLU HG3 H 1 2.236 0.003 . 2 4 . . . 89 E QG . 16635 1 1171 . 1 1 88 88 GLU C C 13 177.185 0.000 . 1 1 . . . 89 E C . 16635 1 1172 . 1 1 88 88 GLU CA C 13 57.516 0.012 . 1 4 . . . 89 E CA . 16635 1 1173 . 1 1 88 88 GLU CB C 13 30.183 0.025 . 1 3 . . . 89 E CB . 16635 1 1174 . 1 1 88 88 GLU CG C 13 36.369 0.018 . 1 3 . . . 89 E CG . 16635 1 1175 . 1 1 88 88 GLU N N 15 121.262 0.021 . 1 4 . . . 89 E N . 16635 1 1176 . 1 1 89 89 GLU H H 1 8.439 0.001 . 1 4 . . . 90 E H . 16635 1 1177 . 1 1 89 89 GLU HA H 1 4.176 0.005 . 1 3 . . . 90 E HA . 16635 1 1178 . 1 1 89 89 GLU HB2 H 1 2.019 0.001 . 2 2 . . . 90 E QB . 16635 1 1179 . 1 1 89 89 GLU HB3 H 1 2.019 0.001 . 2 2 . . . 90 E QB . 16635 1 1180 . 1 1 89 89 GLU HG2 H 1 2.249 0.007 . 2 4 . . . 90 E QG . 16635 1 1181 . 1 1 89 89 GLU HG3 H 1 2.249 0.007 . 2 4 . . . 90 E QG . 16635 1 1182 . 1 1 89 89 GLU C C 13 177.378 0.000 . 1 1 . . . 90 E C . 16635 1 1183 . 1 1 89 89 GLU CA C 13 57.608 0.002 . 1 3 . . . 90 E CA . 16635 1 1184 . 1 1 89 89 GLU CB C 13 30.007 0.007 . 1 2 . . . 90 E CB . 16635 1 1185 . 1 1 89 89 GLU CG C 13 36.600 0.000 . 1 2 . . . 90 E CG . 16635 1 1186 . 1 1 89 89 GLU N N 15 120.588 0.027 . 1 4 . . . 90 E N . 16635 1 1187 . 1 1 90 90 THR H H 1 8.044 0.002 . 1 4 . . . 91 T H . 16635 1 1188 . 1 1 90 90 THR HA H 1 4.206 0.003 . 1 4 . . . 91 T HA . 16635 1 1189 . 1 1 90 90 THR HB H 1 4.202 0.007 . 1 3 . . . 91 T HB . 16635 1 1190 . 1 1 90 90 THR HG21 H 1 1.177 0.003 . . 5 . . . 91 T HG2 . 16635 1 1191 . 1 1 90 90 THR HG22 H 1 1.177 0.003 . . 5 . . . 91 T HG2 . 16635 1 1192 . 1 1 90 90 THR HG23 H 1 1.177 0.003 . . 5 . . . 91 T HG2 . 16635 1 1193 . 1 1 90 90 THR C C 13 175.053 0.000 . 1 1 . . . 91 T C . 16635 1 1194 . 1 1 90 90 THR CA C 13 62.911 0.059 . 1 3 . . . 91 T CA . 16635 1 1195 . 1 1 90 90 THR CB C 13 69.477 0.059 . 1 3 . . . 91 T CB . 16635 1 1196 . 1 1 90 90 THR CG2 C 13 21.734 0.017 . 1 2 . . . 91 T CG2 . 16635 1 1197 . 1 1 90 90 THR N N 15 114.166 0.018 . 1 4 . . . 91 T N . 16635 1 1198 . 1 1 91 91 GLN H H 1 8.234 0.002 . 1 4 . . . 92 Q H . 16635 1 1199 . 1 1 91 91 GLN HA H 1 4.257 0.002 . 1 6 . . . 92 Q HA . 16635 1 1200 . 1 1 91 91 GLN HB2 H 1 2.097 0.002 . 2 3 . . . 92 Q HB2 . 16635 1 1201 . 1 1 91 91 GLN HB3 H 1 1.958 0.004 . 2 3 . . . 92 Q HB3 . 16635 1 1202 . 1 1 91 91 GLN HE21 H 1 7.463 0.000 . 2 1 . . . 92 Q HE21 . 16635 1 1203 . 1 1 91 91 GLN HE22 H 1 6.796 0.000 . 2 1 . . . 92 Q HE22 . 16635 1 1204 . 1 1 91 91 GLN HG2 H 1 2.302 0.004 . 2 6 . . . 92 Q QG . 16635 1 1205 . 1 1 91 91 GLN HG3 H 1 2.302 0.004 . 2 6 . . . 92 Q QG . 16635 1 1206 . 1 1 91 91 GLN C C 13 176.258 0.000 . 1 1 . . . 92 Q C . 16635 1 1207 . 1 1 91 91 GLN CA C 13 56.360 0.038 . 1 4 . . . 92 Q CA . 16635 1 1208 . 1 1 91 91 GLN CB C 13 28.709 0.092 . 1 3 . . . 92 Q CB . 16635 1 1209 . 1 1 91 91 GLN CG C 13 33.851 0.004 . 1 4 . . . 92 Q CG . 16635 1 1210 . 1 1 91 91 GLN N N 15 121.628 0.036 . 1 4 . . . 92 Q N . 16635 1 1211 . 1 1 91 91 GLN NE2 N 15 112.435 0.006 . 1 2 . . . 92 Q NE2 . 16635 1 1212 . 1 1 92 92 LEU H H 1 8.065 0.002 . 1 4 . . . 93 L H . 16635 1 1213 . 1 1 92 92 LEU HA H 1 4.198 0.001 . 1 8 . . . 93 L HA . 16635 1 1214 . 1 1 92 92 LEU HB2 H 1 1.569 0.000 . 2 1 . . . 93 L HB2 . 16635 1 1215 . 1 1 92 92 LEU HB3 H 1 1.472 0.001 . 2 4 . . . 93 L HB3 . 16635 1 1216 . 1 1 92 92 LEU HD11 H 1 0.859 0.001 . 2 3 . . . 93 L MD1 . 16635 1 1217 . 1 1 92 92 LEU HD12 H 1 0.859 0.001 . 2 3 . . . 93 L MD1 . 16635 1 1218 . 1 1 92 92 LEU HD13 H 1 0.859 0.001 . 2 3 . . . 93 L MD1 . 16635 1 1219 . 1 1 92 92 LEU HD21 H 1 0.805 0.001 . 2 3 . . . 93 L MD2 . 16635 1 1220 . 1 1 92 92 LEU HD22 H 1 0.805 0.001 . 2 3 . . . 93 L MD2 . 16635 1 1221 . 1 1 92 92 LEU HD23 H 1 0.805 0.001 . 2 3 . . . 93 L MD2 . 16635 1 1222 . 1 1 92 92 LEU HG H 1 1.575 0.000 . 1 1 . . . 93 L HG . 16635 1 1223 . 1 1 92 92 LEU C C 13 177.627 0.000 . 1 1 . . . 93 L C . 16635 1 1224 . 1 1 92 92 LEU CA C 13 55.765 0.011 . 1 4 . . . 93 L CA . 16635 1 1225 . 1 1 92 92 LEU CB C 13 42.346 0.029 . 1 5 . . . 93 L CB . 16635 1 1226 . 1 1 92 92 LEU CD1 C 13 24.892 0.000 . 2 1 . . . 93 L CD1 . 16635 1 1227 . 1 1 92 92 LEU CD2 C 13 23.366 0.000 . 2 1 . . . 93 L CD2 . 16635 1 1228 . 1 1 92 92 LEU CG C 13 26.930 0.000 . 1 1 . . . 93 L CG . 16635 1 1229 . 1 1 92 92 LEU N N 15 121.990 0.019 . 1 4 . . . 93 L N . 16635 1 1230 . 1 1 93 93 GLU H H 1 8.206 0.002 . 1 4 . . . 94 E H . 16635 1 1231 . 1 1 93 93 GLU HA H 1 4.119 0.002 . 1 5 . . . 94 E HA . 16635 1 1232 . 1 1 93 93 GLU HB2 H 1 1.884 0.005 . 2 7 . . . 94 E QB . 16635 1 1233 . 1 1 93 93 GLU HB3 H 1 1.884 0.005 . 2 7 . . . 94 E QB . 16635 1 1234 . 1 1 93 93 GLU HG2 H 1 2.172 0.002 . 2 4 . . . 94 E HG2 . 16635 1 1235 . 1 1 93 93 GLU HG3 H 1 2.110 0.002 . 2 4 . . . 94 E HG3 . 16635 1 1236 . 1 1 93 93 GLU C C 13 176.502 0.000 . 1 1 . . . 94 E C . 16635 1 1237 . 1 1 93 93 GLU CA C 13 56.981 0.022 . 1 4 . . . 94 E CA . 16635 1 1238 . 1 1 93 93 GLU CB C 13 30.065 0.037 . 1 4 . . . 94 E CB . 16635 1 1239 . 1 1 93 93 GLU CG C 13 36.083 0.000 . 1 4 . . . 94 E CG . 16635 1 1240 . 1 1 93 93 GLU N N 15 120.008 0.018 . 1 4 . . . 94 E N . 16635 1 1241 . 1 1 94 94 HIS H H 1 8.189 0.002 . 1 4 . . . 95 H H . 16635 1 1242 . 1 1 94 94 HIS HA H 1 4.745 0.001 . 1 2 . . . 95 H HA . 16635 1 1243 . 1 1 94 94 HIS HB2 H 1 3.057 0.002 . 2 3 . . . 95 H HB2 . 16635 1 1244 . 1 1 94 94 HIS HB3 H 1 2.994 0.001 . 2 3 . . . 95 H HB3 . 16635 1 1245 . 1 1 94 94 HIS HD2 H 1 6.983 0.004 . 1 4 . . . 95 H HD2 . 16635 1 1246 . 1 1 94 94 HIS HE1 H 1 8.058 0.001 . 1 2 . . . 95 H HE1 . 16635 1 1247 . 1 1 94 94 HIS C C 13 173.908 0.000 . 1 1 . . . 95 H C . 16635 1 1248 . 1 1 94 94 HIS CA C 13 55.939 0.032 . 1 3 . . . 95 H CA . 16635 1 1249 . 1 1 94 94 HIS CB C 13 29.650 0.168 . 1 3 . . . 95 H CB . 16635 1 1250 . 1 1 94 94 HIS CD2 C 13 119.704 0.031 . 1 3 . . . 95 H CD2 . 16635 1 1251 . 1 1 94 94 HIS CE1 C 13 137.604 0.000 . 1 1 . . . 95 H CE1 . 16635 1 1252 . 1 1 94 94 HIS N N 15 118.737 0.058 . 1 4 . . . 95 H N . 16635 1 1253 . 1 1 95 95 HIS H H 1 8.115 0.002 . 1 4 . . . 96 H H . 16635 1 1254 . 1 1 95 95 HIS HA H 1 4.405 0.003 . 1 4 . . . 96 H HA . 16635 1 1255 . 1 1 95 95 HIS HB2 H 1 3.169 0.003 . 2 2 . . . 96 H HB2 . 16635 1 1256 . 1 1 95 95 HIS HB3 H 1 3.045 0.001 . 2 2 . . . 96 H HB3 . 16635 1 1257 . 1 1 95 95 HIS HD2 H 1 7.081 0.004 . 1 3 . . . 96 H HD2 . 16635 1 1258 . 1 1 95 95 HIS HE1 H 1 8.262 0.000 . 1 1 . . . 96 H HE1 . 16635 1 1259 . 1 1 95 95 HIS C C 13 176.162 0.000 . 1 1 . . . 96 H C . 16635 1 1260 . 1 1 95 95 HIS CA C 13 57.265 0.011 . 1 3 . . . 96 H CA . 16635 1 1261 . 1 1 95 95 HIS CB C 13 30.208 0.074 . 1 3 . . . 96 H CB . 16635 1 1262 . 1 1 95 95 HIS CD2 C 13 120.304 0.031 . 1 2 . . . 96 H CD2 . 16635 1 1263 . 1 1 95 95 HIS CE1 C 13 136.646 0.000 . 1 1 . . . 96 H CE1 . 16635 1 1264 . 1 1 95 95 HIS N N 15 125.289 0.020 . 1 4 . . . 96 H N . 16635 1 1265 . 1 1 96 96 HIS H H 1 8.787 0.003 . 1 4 . . . 97 H H . 16635 1 1266 . 1 1 96 96 HIS HD2 H 1 7.087 0.002 . 1 3 . . . 97 H HD2 . 16635 1 1267 . 1 1 96 96 HIS HE1 H 1 8.140 0.000 . 1 1 . . . 97 H HE1 . 16635 1 1268 . 1 1 96 96 HIS CA C 13 57.140 0.000 . 1 1 . . . 97 H CA . 16635 1 1269 . 1 1 96 96 HIS CB C 13 30.191 0.000 . 1 1 . . . 97 H CB . 16635 1 1270 . 1 1 96 96 HIS CD2 C 13 119.816 0.049 . 1 2 . . . 97 H CD2 . 16635 1 1271 . 1 1 96 96 HIS CE1 C 13 137.422 0.000 . 1 1 . . . 97 H CE1 . 16635 1 1272 . 1 1 96 96 HIS N N 15 114.149 0.038 . 1 4 . . . 97 H N . 16635 1 stop_ save_