################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53587 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name apo_YdbL_chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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-13C HSQC' . . . 53587 1 2 '2D 1H-15N HSQC' . . . 53587 1 3 '2D 1H-15N BEST TROSY' . . . 53587 1 4 '3D 15N-edited NOESY HSQC' . . . 53587 1 5 '3D 15N-edited TOCSY HSQC' . . . 53587 1 6 (H)CC(CO)NH . . . 53587 1 7 '3D BT HNCA' . . . 53587 1 8 '3D BT HNCO' . . . 53587 1 9 '3D BT HNCACB' . . . 53587 1 10 '2D 1H-15N BEST TROSY' . . . 53587 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 53587 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.827 0.000 . 2 . . . . . 21 GLY HA2 . 53587 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.768 0.000 . 2 . . . . . 21 GLY HA3 . 53587 1 3 . 1 . 1 1 1 GLY CA C 13 43.341 0.027 . 1 . . . . . 21 GLY CA . 53587 1 4 . 1 . 1 2 2 LEU H H 1 8.383 0.003 . 1 . . . . . 22 LEU H . 53587 1 5 . 1 . 1 2 2 LEU HA H 1 4.484 0.000 . 1 . . . . . 22 LEU HA . 53587 1 6 . 1 . 1 2 2 LEU HB2 H 1 1.619 0.011 . 2 . . . . . 22 LEU HB2 . 53587 1 7 . 1 . 1 2 2 LEU HB3 H 1 1.397 0.007 . 2 . . . . . 22 LEU HB3 . 53587 1 8 . 1 . 1 2 2 LEU HG H 1 1.609 0.000 . 1 . . . . . 22 LEU HG . 53587 1 9 . 1 . 1 2 2 LEU HD11 H 1 0.702 0.000 . 2 . . . . . 22 LEU HD11 . 53587 1 10 . 1 . 1 2 2 LEU HD12 H 1 0.702 0.000 . 2 . . . . . 22 LEU HD12 . 53587 1 11 . 1 . 1 2 2 LEU HD13 H 1 0.702 0.000 . 2 . . . . . 22 LEU HD13 . 53587 1 12 . 1 . 1 2 2 LEU HD21 H 1 0.834 0.000 . 2 . . . . . 22 LEU HD21 . 53587 1 13 . 1 . 1 2 2 LEU HD22 H 1 0.834 0.000 . 2 . . . . . 22 LEU HD22 . 53587 1 14 . 1 . 1 2 2 LEU HD23 H 1 0.834 0.000 . 2 . . . . . 22 LEU HD23 . 53587 1 15 . 1 . 1 2 2 LEU C C 13 176.200 0.000 . 1 . . . . . 22 LEU C . 53587 1 16 . 1 . 1 2 2 LEU CA C 13 55.291 0.029 . 1 . . . . . 22 LEU CA . 53587 1 17 . 1 . 1 2 2 LEU CB C 13 43.572 0.060 . 1 . . . . . 22 LEU CB . 53587 1 18 . 1 . 1 2 2 LEU CG C 13 25.628 0.000 . 1 . . . . . 22 LEU CG . 53587 1 19 . 1 . 1 2 2 LEU CD1 C 13 25.861 0.000 . 2 . . . . . 22 LEU CD1 . 53587 1 20 . 1 . 1 2 2 LEU CD2 C 13 23.794 0.000 . 2 . . . . . 22 LEU CD2 . 53587 1 21 . 1 . 1 2 2 LEU N N 15 123.489 0.057 . 1 . . . . . 22 LEU N . 53587 1 22 . 1 . 1 3 3 THR H H 1 8.169 0.002 . 1 . . . . . 23 THR H . 53587 1 23 . 1 . 1 3 3 THR HA H 1 4.659 0.001 . 1 . . . . . 23 THR HA . 53587 1 24 . 1 . 1 3 3 THR HB H 1 4.656 0.003 . 1 . . . . . 23 THR HB . 53587 1 25 . 1 . 1 3 3 THR HG21 H 1 1.305 0.002 . 1 . . . . . 23 THR HG21 . 53587 1 26 . 1 . 1 3 3 THR HG22 H 1 1.305 0.002 . 1 . . . . . 23 THR HG22 . 53587 1 27 . 1 . 1 3 3 THR HG23 H 1 1.305 0.002 . 1 . . . . . 23 THR HG23 . 53587 1 28 . 1 . 1 3 3 THR C C 13 175.149 0.000 . 1 . . . . . 23 THR C . 53587 1 29 . 1 . 1 3 3 THR CA C 13 59.601 0.013 . 1 . . . . . 23 THR CA . 53587 1 30 . 1 . 1 3 3 THR CB C 13 71.745 0.017 . 1 . . . . . 23 THR CB . 53587 1 31 . 1 . 1 3 3 THR CG2 C 13 21.754 0.090 . 1 . . . . . 23 THR CG2 . 53587 1 32 . 1 . 1 3 3 THR N N 15 116.456 0.019 . 1 . . . . . 23 THR N . 53587 1 33 . 1 . 1 4 4 LEU H H 1 9.112 0.002 . 1 . . . . . 24 LEU H . 53587 1 34 . 1 . 1 4 4 LEU HA H 1 4.025 0.000 . 1 . . . . . 24 LEU HA . 53587 1 35 . 1 . 1 4 4 LEU HB2 H 1 1.921 0.000 . 2 . . . . . 24 LEU HB2 . 53587 1 36 . 1 . 1 4 4 LEU HB3 H 1 1.450 0.004 . 2 . . . . . 24 LEU HB3 . 53587 1 37 . 1 . 1 4 4 LEU HD11 H 1 0.949 0.000 . 2 . . . . . 24 LEU HD11 . 53587 1 38 . 1 . 1 4 4 LEU HD12 H 1 0.949 0.000 . 2 . . . . . 24 LEU HD12 . 53587 1 39 . 1 . 1 4 4 LEU HD13 H 1 0.949 0.000 . 2 . . . . . 24 LEU HD13 . 53587 1 40 . 1 . 1 4 4 LEU HD21 H 1 0.978 0.000 . 2 . . . . . 24 LEU HD21 . 53587 1 41 . 1 . 1 4 4 LEU HD22 H 1 0.978 0.000 . 2 . . . . . 24 LEU HD22 . 53587 1 42 . 1 . 1 4 4 LEU HD23 H 1 0.978 0.000 . 2 . . . . . 24 LEU HD23 . 53587 1 43 . 1 . 1 4 4 LEU C C 13 177.934 0.000 . 1 . . . . . 24 LEU C . 53587 1 44 . 1 . 1 4 4 LEU CA C 13 58.400 0.006 . 1 . . . . . 24 LEU CA . 53587 1 45 . 1 . 1 4 4 LEU CB C 13 41.111 0.048 . 1 . . . . . 24 LEU CB . 53587 1 46 . 1 . 1 4 4 LEU CD1 C 13 24.399 0.000 . 2 . . . . . 24 LEU CD1 . 53587 1 47 . 1 . 1 4 4 LEU CD2 C 13 26.160 0.000 . 2 . . . . . 24 LEU CD2 . 53587 1 48 . 1 . 1 4 4 LEU N N 15 122.808 0.019 . 1 . . . . . 24 LEU N . 53587 1 49 . 1 . 1 5 5 ASP H H 1 8.525 0.002 . 1 . . . . . 25 ASP H . 53587 1 50 . 1 . 1 5 5 ASP HA H 1 4.388 0.001 . 1 . . . . . 25 ASP HA . 53587 1 51 . 1 . 1 5 5 ASP HB2 H 1 2.570 0.001 . 2 . . . . . 25 ASP HB2 . 53587 1 52 . 1 . 1 5 5 ASP HB3 H 1 2.658 0.004 . 2 . . . . . 25 ASP HB3 . 53587 1 53 . 1 . 1 5 5 ASP C C 13 179.433 0.000 . 1 . . . . . 25 ASP C . 53587 1 54 . 1 . 1 5 5 ASP CA C 13 57.828 0.077 . 1 . . . . . 25 ASP CA . 53587 1 55 . 1 . 1 5 5 ASP CB C 13 40.471 0.027 . 1 . . . . . 25 ASP CB . 53587 1 56 . 1 . 1 5 5 ASP N N 15 117.204 0.017 . 1 . . . . . 25 ASP N . 53587 1 57 . 1 . 1 6 6 GLU H H 1 7.658 0.004 . 1 . . . . . 26 GLU H . 53587 1 58 . 1 . 1 6 6 GLU HA H 1 4.036 0.008 . 1 . . . . . 26 GLU HA . 53587 1 59 . 1 . 1 6 6 GLU HB2 H 1 2.217 0.005 . 2 . . . . . 26 GLU HB2 . 53587 1 60 . 1 . 1 6 6 GLU HB3 H 1 1.918 0.004 . 2 . . . . . 26 GLU HB3 . 53587 1 61 . 1 . 1 6 6 GLU HG2 H 1 2.217 0.005 . 1 . . . . . 26 GLU HG2 . 53587 1 62 . 1 . 1 6 6 GLU C C 13 178.187 0.000 . 1 . . . . . 26 GLU C . 53587 1 63 . 1 . 1 6 6 GLU CA C 13 59.026 0.010 . 1 . . . . . 26 GLU CA . 53587 1 64 . 1 . 1 6 6 GLU CB C 13 30.345 0.008 . 1 . . . . . 26 GLU CB . 53587 1 65 . 1 . 1 6 6 GLU CG C 13 36.770 0.003 . 1 . . . . . 26 GLU CG . 53587 1 66 . 1 . 1 6 6 GLU N N 15 120.470 0.013 . 1 . . . . . 26 GLU N . 53587 1 67 . 1 . 1 7 7 ALA H H 1 8.667 0.004 . 1 . . . . . 27 ALA H . 53587 1 68 . 1 . 1 7 7 ALA HA H 1 3.809 0.000 . 1 . . . . . 27 ALA HA . 53587 1 69 . 1 . 1 7 7 ALA HB1 H 1 1.433 0.003 . 1 . . . . . 27 ALA HB1 . 53587 1 70 . 1 . 1 7 7 ALA HB2 H 1 1.433 0.003 . 1 . . . . . 27 ALA HB2 . 53587 1 71 . 1 . 1 7 7 ALA HB3 H 1 1.433 0.003 . 1 . . . . . 27 ALA HB3 . 53587 1 72 . 1 . 1 7 7 ALA C C 13 180.387 0.000 . 1 . . . . . 27 ALA C . 53587 1 73 . 1 . 1 7 7 ALA CA C 13 55.609 0.028 . 1 . . . . . 27 ALA CA . 53587 1 74 . 1 . 1 7 7 ALA CB C 13 19.199 0.013 . 1 . . . . . 27 ALA CB . 53587 1 75 . 1 . 1 7 7 ALA N N 15 121.141 0.027 . 1 . . . . . 27 ALA N . 53587 1 76 . 1 . 1 8 8 ARG H H 1 8.768 0.003 . 1 . . . . . 28 ARG H . 53587 1 77 . 1 . 1 8 8 ARG HA H 1 4.174 0.000 . 1 . . . . . 28 ARG HA . 53587 1 78 . 1 . 1 8 8 ARG C C 13 180.835 0.000 . 1 . . . . . 28 ARG C . 53587 1 79 . 1 . 1 8 8 ARG CA C 13 59.770 0.009 . 1 . . . . . 28 ARG CA . 53587 1 80 . 1 . 1 8 8 ARG CB C 13 31.298 0.000 . 1 . . . . . 28 ARG CB . 53587 1 81 . 1 . 1 8 8 ARG CG C 13 27.918 0.000 . 1 . . . . . 28 ARG CG . 53587 1 82 . 1 . 1 8 8 ARG N N 15 118.246 0.015 . 1 . . . . . 28 ARG N . 53587 1 83 . 1 . 1 9 9 THR H H 1 8.342 0.004 . 1 . . . . . 29 THR H . 53587 1 84 . 1 . 1 9 9 THR HA H 1 4.003 0.001 . 1 . . . . . 29 THR HA . 53587 1 85 . 1 . 1 9 9 THR HB H 1 4.300 0.001 . 1 . . . . . 29 THR HB . 53587 1 86 . 1 . 1 9 9 THR HG21 H 1 1.326 0.000 . 1 . . . . . 29 THR HG21 . 53587 1 87 . 1 . 1 9 9 THR HG22 H 1 1.326 0.000 . 1 . . . . . 29 THR HG22 . 53587 1 88 . 1 . 1 9 9 THR HG23 H 1 1.326 0.000 . 1 . . . . . 29 THR HG23 . 53587 1 89 . 1 . 1 9 9 THR C C 13 176.389 0.000 . 1 . . . . . 29 THR C . 53587 1 90 . 1 . 1 9 9 THR CA C 13 66.973 0.022 . 1 . . . . . 29 THR CA . 53587 1 91 . 1 . 1 9 9 THR CB C 13 68.844 0.031 . 1 . . . . . 29 THR CB . 53587 1 92 . 1 . 1 9 9 THR CG2 C 13 21.878 0.045 . 1 . . . . . 29 THR CG2 . 53587 1 93 . 1 . 1 9 9 THR N N 15 120.067 0.030 . 1 . . . . . 29 THR N . 53587 1 94 . 1 . 1 10 10 GLN H H 1 8.420 0.003 . 1 . . . . . 30 GLN H . 53587 1 95 . 1 . 1 10 10 GLN HA H 1 4.318 0.003 . 1 . . . . . 30 GLN HA . 53587 1 96 . 1 . 1 10 10 GLN HB2 H 1 1.769 0.002 . 1 . . . . . 30 GLN HB2 . 53587 1 97 . 1 . 1 10 10 GLN HG2 H 1 2.719 0.002 . 2 . . . . . 30 GLN HG2 . 53587 1 98 . 1 . 1 10 10 GLN HG3 H 1 2.479 0.000 . 2 . . . . . 30 GLN HG3 . 53587 1 99 . 1 . 1 10 10 GLN HE21 H 1 6.959 0.001 . 1 . . . . . 30 GLN HE21 . 53587 1 100 . 1 . 1 10 10 GLN HE22 H 1 7.579 0.001 . 1 . . . . . 30 GLN HE22 . 53587 1 101 . 1 . 1 10 10 GLN C C 13 176.389 0.000 . 1 . . . . . 30 GLN C . 53587 1 102 . 1 . 1 10 10 GLN CA C 13 56.380 0.018 . 1 . . . . . 30 GLN CA . 53587 1 103 . 1 . 1 10 10 GLN CB C 13 29.317 0.092 . 1 . . . . . 30 GLN CB . 53587 1 104 . 1 . 1 10 10 GLN CG C 13 34.114 0.024 . 1 . . . . . 30 GLN CG . 53587 1 105 . 1 . 1 10 10 GLN N N 15 117.222 0.019 . 1 . . . . . 30 GLN N . 53587 1 106 . 1 . 1 10 10 GLN NE2 N 15 111.832 0.037 . 1 . . . . . 30 GLN NE2 . 53587 1 107 . 1 . 1 11 11 GLY H H 1 7.847 0.003 . 1 . . . . . 31 GLY H . 53587 1 108 . 1 . 1 11 11 GLY HA2 H 1 4.187 0.012 . 2 . . . . . 31 GLY HA2 . 53587 1 109 . 1 . 1 11 11 GLY HA3 H 1 4.138 0.010 . 2 . . . . . 31 GLY HA3 . 53587 1 110 . 1 . 1 11 11 GLY C C 13 173.762 0.000 . 1 . . . . . 31 GLY C . 53587 1 111 . 1 . 1 11 11 GLY CA C 13 46.741 0.027 . 1 . . . . . 31 GLY CA . 53587 1 112 . 1 . 1 11 11 GLY N N 15 108.439 0.008 . 1 . . . . . 31 GLY N . 53587 1 113 . 1 . 1 12 12 ARG H H 1 8.330 0.003 . 1 . . . . . 32 ARG H . 53587 1 114 . 1 . 1 12 12 ARG HA H 1 4.026 0.000 . 1 . . . . . 32 ARG HA . 53587 1 115 . 1 . 1 12 12 ARG HB2 H 1 2.492 0.000 . 2 . . . . . 32 ARG HB2 . 53587 1 116 . 1 . 1 12 12 ARG HB3 H 1 1.514 0.000 . 2 . . . . . 32 ARG HB3 . 53587 1 117 . 1 . 1 12 12 ARG C C 13 175.817 0.000 . 1 . . . . . 32 ARG C . 53587 1 118 . 1 . 1 12 12 ARG CA C 13 57.641 0.030 . 1 . . . . . 32 ARG CA . 53587 1 119 . 1 . 1 12 12 ARG CB C 13 32.094 0.018 . 1 . . . . . 32 ARG CB . 53587 1 120 . 1 . 1 12 12 ARG CG C 13 28.041 0.000 . 1 . . . . . 32 ARG CG . 53587 1 121 . 1 . 1 12 12 ARG N N 15 114.476 0.009 . 1 . . . . . 32 ARG N . 53587 1 122 . 1 . 1 13 13 VAL H H 1 7.056 0.003 . 1 . . . . . 33 VAL H . 53587 1 123 . 1 . 1 13 13 VAL HA H 1 5.165 0.001 . 1 . . . . . 33 VAL HA . 53587 1 124 . 1 . 1 13 13 VAL HB H 1 1.986 0.000 . 1 . . . . . 33 VAL HB . 53587 1 125 . 1 . 1 13 13 VAL HG11 H 1 0.552 0.000 . 2 . . . . . 33 VAL HG11 . 53587 1 126 . 1 . 1 13 13 VAL HG12 H 1 0.552 0.000 . 2 . . . . . 33 VAL HG12 . 53587 1 127 . 1 . 1 13 13 VAL HG13 H 1 0.552 0.000 . 2 . . . . . 33 VAL HG13 . 53587 1 128 . 1 . 1 13 13 VAL HG21 H 1 0.717 0.000 . 2 . . . . . 33 VAL HG21 . 53587 1 129 . 1 . 1 13 13 VAL HG22 H 1 0.717 0.000 . 2 . . . . . 33 VAL HG22 . 53587 1 130 . 1 . 1 13 13 VAL HG23 H 1 0.717 0.000 . 2 . . . . . 33 VAL HG23 . 53587 1 131 . 1 . 1 13 13 VAL C C 13 172.911 0.000 . 1 . . . . . 33 VAL C . 53587 1 132 . 1 . 1 13 13 VAL CA C 13 57.014 0.008 . 1 . . . . . 33 VAL CA . 53587 1 133 . 1 . 1 13 13 VAL CB C 13 35.463 0.029 . 1 . . . . . 33 VAL CB . 53587 1 134 . 1 . 1 13 13 VAL CG1 C 13 18.881 0.012 . 2 . . . . . 33 VAL CG1 . 53587 1 135 . 1 . 1 13 13 VAL CG2 C 13 23.656 0.054 . 2 . . . . . 33 VAL CG2 . 53587 1 136 . 1 . 1 13 13 VAL N N 15 106.513 0.029 . 1 . . . . . 33 VAL N . 53587 1 137 . 1 . 1 14 14 GLY H H 1 8.503 0.002 . 1 . . . . . 34 GLY H . 53587 1 138 . 1 . 1 14 14 GLY HA2 H 1 4.969 0.000 . 2 . . . . . 34 GLY HA2 . 53587 1 139 . 1 . 1 14 14 GLY HA3 H 1 3.624 0.002 . 2 . . . . . 34 GLY HA3 . 53587 1 140 . 1 . 1 14 14 GLY C C 13 171.884 0.000 . 1 . . . . . 34 GLY C . 53587 1 141 . 1 . 1 14 14 GLY CA C 13 44.961 0.037 . 1 . . . . . 34 GLY CA . 53587 1 142 . 1 . 1 14 14 GLY N N 15 107.746 0.018 . 1 . . . . . 34 GLY N . 53587 1 143 . 1 . 1 15 15 GLU H H 1 7.794 0.002 . 1 . . . . . 35 GLU H . 53587 1 144 . 1 . 1 15 15 GLU HA H 1 5.000 0.002 . 1 . . . . . 35 GLU HA . 53587 1 145 . 1 . 1 15 15 GLU HB2 H 1 1.629 0.003 . 2 . . . . . 35 GLU HB2 . 53587 1 146 . 1 . 1 15 15 GLU HB3 H 1 1.862 0.000 . 2 . . . . . 35 GLU HB3 . 53587 1 147 . 1 . 1 15 15 GLU C C 13 176.051 0.000 . 1 . . . . . 35 GLU C . 53587 1 148 . 1 . 1 15 15 GLU CA C 13 55.339 0.033 . 1 . . . . . 35 GLU CA . 53587 1 149 . 1 . 1 15 15 GLU CB C 13 32.071 0.047 . 1 . . . . . 35 GLU CB . 53587 1 150 . 1 . 1 15 15 GLU CG C 13 33.573 0.000 . 1 . . . . . 35 GLU CG . 53587 1 151 . 1 . 1 15 15 GLU N N 15 120.798 0.033 . 1 . . . . . 35 GLU N . 53587 1 152 . 1 . 1 16 16 THR H H 1 7.573 0.001 . 1 . . . . . 36 THR H . 53587 1 153 . 1 . 1 16 16 THR HA H 1 4.824 0.003 . 1 . . . . . 36 THR HA . 53587 1 154 . 1 . 1 16 16 THR HB H 1 3.852 0.000 . 1 . . . . . 36 THR HB . 53587 1 155 . 1 . 1 16 16 THR HG21 H 1 1.295 0.000 . 1 . . . . . 36 THR HG21 . 53587 1 156 . 1 . 1 16 16 THR HG22 H 1 1.295 0.000 . 1 . . . . . 36 THR HG22 . 53587 1 157 . 1 . 1 16 16 THR HG23 H 1 1.295 0.000 . 1 . . . . . 36 THR HG23 . 53587 1 158 . 1 . 1 16 16 THR C C 13 176.653 0.000 . 1 . . . . . 36 THR C . 53587 1 159 . 1 . 1 16 16 THR CA C 13 59.928 0.033 . 1 . . . . . 36 THR CA . 53587 1 160 . 1 . 1 16 16 THR CB C 13 74.035 0.043 . 1 . . . . . 36 THR CB . 53587 1 161 . 1 . 1 16 16 THR CG2 C 13 22.246 0.000 . 1 . . . . . 36 THR CG2 . 53587 1 162 . 1 . 1 16 16 THR N N 15 107.558 0.017 . 1 . . . . . 36 THR N . 53587 1 163 . 1 . 1 17 17 PHE H H 1 8.243 0.003 . 1 . . . . . 37 PHE H . 53587 1 164 . 1 . 1 17 17 PHE HA H 1 4.025 0.003 . 1 . . . . . 37 PHE HA . 53587 1 165 . 1 . 1 17 17 PHE HB2 H 1 3.018 0.000 . 1 . . . . . 37 PHE HB2 . 53587 1 166 . 1 . 1 17 17 PHE HB3 H 1 3.018 0.000 . 1 . . . . . 37 PHE HB3 . 53587 1 167 . 1 . 1 17 17 PHE C C 13 174.071 0.000 . 1 . . . . . 37 PHE C . 53587 1 168 . 1 . 1 17 17 PHE CA C 13 59.029 0.002 . 1 . . . . . 37 PHE CA . 53587 1 169 . 1 . 1 17 17 PHE CB C 13 37.988 0.017 . 1 . . . . . 37 PHE CB . 53587 1 170 . 1 . 1 17 17 PHE N N 15 116.975 0.024 . 1 . . . . . 37 PHE N . 53587 1 171 . 1 . 1 18 18 TYR H H 1 6.486 0.005 . 1 . . . . . 38 TYR H . 53587 1 172 . 1 . 1 18 18 TYR HA H 1 4.433 0.001 . 1 . . . . . 38 TYR HA . 53587 1 173 . 1 . 1 18 18 TYR HB2 H 1 3.186 0.001 . 2 . . . . . 38 TYR HB2 . 53587 1 174 . 1 . 1 18 18 TYR HB3 H 1 2.538 0.002 . 2 . . . . . 38 TYR HB3 . 53587 1 175 . 1 . 1 18 18 TYR C C 13 174.936 0.000 . 1 . . . . . 38 TYR C . 53587 1 176 . 1 . 1 18 18 TYR CA C 13 56.534 0.007 . 1 . . . . . 38 TYR CA . 53587 1 177 . 1 . 1 18 18 TYR CB C 13 36.944 0.028 . 1 . . . . . 38 TYR CB . 53587 1 178 . 1 . 1 18 18 TYR N N 15 112.301 0.016 . 1 . . . . . 38 TYR N . 53587 1 179 . 1 . 1 19 19 GLY H H 1 6.871 0.003 . 1 . . . . . 39 GLY H . 53587 1 180 . 1 . 1 19 19 GLY HA2 H 1 3.994 0.004 . 2 . . . . . 39 GLY HA2 . 53587 1 181 . 1 . 1 19 19 GLY HA3 H 1 3.353 0.001 . 2 . . . . . 39 GLY HA3 . 53587 1 182 . 1 . 1 19 19 GLY C C 13 174.807 0.000 . 1 . . . . . 39 GLY C . 53587 1 183 . 1 . 1 19 19 GLY CA C 13 46.225 0.013 . 1 . . . . . 39 GLY CA . 53587 1 184 . 1 . 1 19 19 GLY N N 15 103.023 0.024 . 1 . . . . . 39 GLY N . 53587 1 185 . 1 . 1 20 20 TYR H H 1 6.360 0.004 . 1 . . . . . 40 TYR H . 53587 1 186 . 1 . 1 20 20 TYR HA H 1 5.028 0.002 . 1 . . . . . 40 TYR HA . 53587 1 187 . 1 . 1 20 20 TYR HB2 H 1 2.455 0.002 . 2 . . . . . 40 TYR HB2 . 53587 1 188 . 1 . 1 20 20 TYR HB3 H 1 3.219 0.001 . 2 . . . . . 40 TYR HB3 . 53587 1 189 . 1 . 1 20 20 TYR C C 13 174.153 0.000 . 1 . . . . . 40 TYR C . 53587 1 190 . 1 . 1 20 20 TYR CA C 13 56.898 0.034 . 1 . . . . . 40 TYR CA . 53587 1 191 . 1 . 1 20 20 TYR CB C 13 41.409 0.025 . 1 . . . . . 40 TYR CB . 53587 1 192 . 1 . 1 20 20 TYR N N 15 117.160 0.015 . 1 . . . . . 40 TYR N . 53587 1 193 . 1 . 1 21 21 LEU H H 1 9.760 0.003 . 1 . . . . . 41 LEU H . 53587 1 194 . 1 . 1 21 21 LEU HA H 1 4.904 0.000 . 1 . . . . . 41 LEU HA . 53587 1 195 . 1 . 1 21 21 LEU HB2 H 1 1.826 0.001 . 2 . . . . . 41 LEU HB2 . 53587 1 196 . 1 . 1 21 21 LEU HB3 H 1 1.279 0.002 . 2 . . . . . 41 LEU HB3 . 53587 1 197 . 1 . 1 21 21 LEU HD11 H 1 0.805 0.000 . 2 . . . . . 41 LEU HD11 . 53587 1 198 . 1 . 1 21 21 LEU HD12 H 1 0.805 0.000 . 2 . . . . . 41 LEU HD12 . 53587 1 199 . 1 . 1 21 21 LEU HD13 H 1 0.805 0.000 . 2 . . . . . 41 LEU HD13 . 53587 1 200 . 1 . 1 21 21 LEU HD21 H 1 0.824 0.000 . 2 . . . . . 41 LEU HD21 . 53587 1 201 . 1 . 1 21 21 LEU HD22 H 1 0.824 0.000 . 2 . . . . . 41 LEU HD22 . 53587 1 202 . 1 . 1 21 21 LEU HD23 H 1 0.824 0.000 . 2 . . . . . 41 LEU HD23 . 53587 1 203 . 1 . 1 21 21 LEU C C 13 178.219 0.000 . 1 . . . . . 41 LEU C . 53587 1 204 . 1 . 1 21 21 LEU CA C 13 54.449 0.004 . 1 . . . . . 41 LEU CA . 53587 1 205 . 1 . 1 21 21 LEU CB C 13 46.582 0.038 . 1 . . . . . 41 LEU CB . 53587 1 206 . 1 . 1 21 21 LEU CG C 13 26.726 0.000 . 1 . . . . . 41 LEU CG . 53587 1 207 . 1 . 1 21 21 LEU CD1 C 13 23.593 0.000 . 2 . . . . . 41 LEU CD1 . 53587 1 208 . 1 . 1 21 21 LEU CD2 C 13 27.054 0.000 . 2 . . . . . 41 LEU CD2 . 53587 1 209 . 1 . 1 21 21 LEU N N 15 123.138 0.018 . 1 . . . . . 41 LEU N . 53587 1 210 . 1 . 1 22 22 VAL H H 1 8.501 0.001 . 1 . . . . . 42 VAL H . 53587 1 211 . 1 . 1 22 22 VAL HA H 1 4.203 0.003 . 1 . . . . . 42 VAL HA . 53587 1 212 . 1 . 1 22 22 VAL HB H 1 1.858 0.004 . 1 . . . . . 42 VAL HB . 53587 1 213 . 1 . 1 22 22 VAL HG11 H 1 0.878 0.000 . 2 . . . . . 42 VAL HG11 . 53587 1 214 . 1 . 1 22 22 VAL HG12 H 1 0.878 0.000 . 2 . . . . . 42 VAL HG12 . 53587 1 215 . 1 . 1 22 22 VAL HG13 H 1 0.878 0.000 . 2 . . . . . 42 VAL HG13 . 53587 1 216 . 1 . 1 22 22 VAL HG21 H 1 1.130 0.000 . 2 . . . . . 42 VAL HG21 . 53587 1 217 . 1 . 1 22 22 VAL HG22 H 1 1.130 0.000 . 2 . . . . . 42 VAL HG22 . 53587 1 218 . 1 . 1 22 22 VAL HG23 H 1 1.130 0.000 . 2 . . . . . 42 VAL HG23 . 53587 1 219 . 1 . 1 22 22 VAL C C 13 175.164 0.000 . 1 . . . . . 42 VAL C . 53587 1 220 . 1 . 1 22 22 VAL CA C 13 61.265 0.021 . 1 . . . . . 42 VAL CA . 53587 1 221 . 1 . 1 22 22 VAL CB C 13 36.159 0.050 . 1 . . . . . 42 VAL CB . 53587 1 222 . 1 . 1 22 22 VAL CG1 C 13 21.154 0.000 . 2 . . . . . 42 VAL CG1 . 53587 1 223 . 1 . 1 22 22 VAL CG2 C 13 23.150 0.000 . 2 . . . . . 42 VAL CG2 . 53587 1 224 . 1 . 1 22 22 VAL N N 15 120.736 0.008 . 1 . . . . . 42 VAL N . 53587 1 225 . 1 . 1 23 23 ALA H H 1 8.942 0.002 . 1 . . . . . 43 ALA H . 53587 1 226 . 1 . 1 23 23 ALA HA H 1 4.243 0.000 . 1 . . . . . 43 ALA HA . 53587 1 227 . 1 . 1 23 23 ALA HB1 H 1 1.381 0.001 . 1 . . . . . 43 ALA HB1 . 53587 1 228 . 1 . 1 23 23 ALA HB2 H 1 1.381 0.001 . 1 . . . . . 43 ALA HB2 . 53587 1 229 . 1 . 1 23 23 ALA HB3 H 1 1.381 0.001 . 1 . . . . . 43 ALA HB3 . 53587 1 230 . 1 . 1 23 23 ALA C C 13 175.541 0.000 . 1 . . . . . 43 ALA C . 53587 1 231 . 1 . 1 23 23 ALA CA C 13 52.131 0.001 . 1 . . . . . 43 ALA CA . 53587 1 232 . 1 . 1 23 23 ALA CB C 13 17.944 0.026 . 1 . . . . . 43 ALA CB . 53587 1 233 . 1 . 1 23 23 ALA N N 15 128.354 0.021 . 1 . . . . . 43 ALA N . 53587 1 234 . 1 . 1 24 24 LEU H H 1 8.274 0.003 . 1 . . . . . 44 LEU H . 53587 1 235 . 1 . 1 24 24 LEU HA H 1 3.956 0.000 . 1 . . . . . 44 LEU HA . 53587 1 236 . 1 . 1 24 24 LEU HB2 H 1 0.903 0.003 . 2 . . . . . 44 LEU HB2 . 53587 1 237 . 1 . 1 24 24 LEU HB3 H 1 1.123 0.001 . 2 . . . . . 44 LEU HB3 . 53587 1 238 . 1 . 1 24 24 LEU HD11 H 1 -0.711 0.002 . 2 . . . . . 44 LEU HD11 . 53587 1 239 . 1 . 1 24 24 LEU HD12 H 1 -0.711 0.002 . 2 . . . . . 44 LEU HD12 . 53587 1 240 . 1 . 1 24 24 LEU HD13 H 1 -0.711 0.002 . 2 . . . . . 44 LEU HD13 . 53587 1 241 . 1 . 1 24 24 LEU HD21 H 1 -0.346 0.002 . 2 . . . . . 44 LEU HD21 . 53587 1 242 . 1 . 1 24 24 LEU HD22 H 1 -0.346 0.002 . 2 . . . . . 44 LEU HD22 . 53587 1 243 . 1 . 1 24 24 LEU HD23 H 1 -0.346 0.002 . 2 . . . . . 44 LEU HD23 . 53587 1 244 . 1 . 1 24 24 LEU C C 13 177.306 0.000 . 1 . . . . . 44 LEU C . 53587 1 245 . 1 . 1 24 24 LEU CA C 13 54.944 0.037 . 1 . . . . . 44 LEU CA . 53587 1 246 . 1 . 1 24 24 LEU CB C 13 40.868 0.035 . 1 . . . . . 44 LEU CB . 53587 1 247 . 1 . 1 24 24 LEU CG C 13 26.699 0.000 . 1 . . . . . 44 LEU CG . 53587 1 248 . 1 . 1 24 24 LEU CD1 C 13 19.897 0.000 . 2 . . . . . 44 LEU CD1 . 53587 1 249 . 1 . 1 24 24 LEU CD2 C 13 24.529 0.000 . 2 . . . . . 44 LEU CD2 . 53587 1 250 . 1 . 1 24 24 LEU N N 15 125.942 0.020 . 1 . . . . . 44 LEU N . 53587 1 251 . 1 . 1 25 25 LYS H H 1 7.367 0.003 . 1 . . . . . 45 LYS H . 53587 1 252 . 1 . 1 25 25 LYS HA H 1 4.624 0.002 . 1 . . . . . 45 LYS HA . 53587 1 253 . 1 . 1 25 25 LYS HB2 H 1 1.673 0.000 . 2 . . . . . 45 LYS HB2 . 53587 1 254 . 1 . 1 25 25 LYS HB3 H 1 2.072 0.001 . 2 . . . . . 45 LYS HB3 . 53587 1 255 . 1 . 1 25 25 LYS HG2 H 1 1.474 0.000 . 2 . . . . . 45 LYS HG2 . 53587 1 256 . 1 . 1 25 25 LYS HG3 H 1 1.381 0.000 . 2 . . . . . 45 LYS HG3 . 53587 1 257 . 1 . 1 25 25 LYS C C 13 176.077 0.000 . 1 . . . . . 45 LYS C . 53587 1 258 . 1 . 1 25 25 LYS CA C 13 53.986 0.056 . 1 . . . . . 45 LYS CA . 53587 1 259 . 1 . 1 25 25 LYS CB C 13 35.091 0.026 . 1 . . . . . 45 LYS CB . 53587 1 260 . 1 . 1 25 25 LYS CG C 13 25.313 0.096 . 1 . . . . . 45 LYS CG . 53587 1 261 . 1 . 1 25 25 LYS N N 15 118.623 0.012 . 1 . . . . . 45 LYS N . 53587 1 262 . 1 . 1 26 26 THR H H 1 8.140 0.002 . 1 . . . . . 46 THR H . 53587 1 263 . 1 . 1 26 26 THR HA H 1 4.410 0.000 . 1 . . . . . 46 THR HA . 53587 1 264 . 1 . 1 26 26 THR HB H 1 4.573 0.000 . 1 . . . . . 46 THR HB . 53587 1 265 . 1 . 1 26 26 THR HG21 H 1 1.028 0.000 . 1 . . . . . 46 THR HG21 . 53587 1 266 . 1 . 1 26 26 THR HG22 H 1 1.028 0.000 . 1 . . . . . 46 THR HG22 . 53587 1 267 . 1 . 1 26 26 THR HG23 H 1 1.028 0.000 . 1 . . . . . 46 THR HG23 . 53587 1 268 . 1 . 1 26 26 THR C C 13 174.589 0.000 . 1 . . . . . 46 THR C . 53587 1 269 . 1 . 1 26 26 THR CA C 13 61.029 0.025 . 1 . . . . . 46 THR CA . 53587 1 270 . 1 . 1 26 26 THR CB C 13 68.180 0.000 . 1 . . . . . 46 THR CB . 53587 1 271 . 1 . 1 26 26 THR CG2 C 13 21.111 0.037 . 1 . . . . . 46 THR CG2 . 53587 1 272 . 1 . 1 26 26 THR N N 15 109.030 0.012 . 1 . . . . . 46 THR N . 53587 1 273 . 1 . 1 27 27 ASP H H 1 7.852 0.003 . 1 . . . . . 47 ASP H . 53587 1 274 . 1 . 1 27 27 ASP HA H 1 4.614 0.001 . 1 . . . . . 47 ASP HA . 53587 1 275 . 1 . 1 27 27 ASP HB2 H 1 2.871 0.007 . 2 . . . . . 47 ASP HB2 . 53587 1 276 . 1 . 1 27 27 ASP HB3 H 1 2.658 0.002 . 2 . . . . . 47 ASP HB3 . 53587 1 277 . 1 . 1 27 27 ASP C C 13 175.422 0.000 . 1 . . . . . 47 ASP C . 53587 1 278 . 1 . 1 27 27 ASP CA C 13 53.452 0.009 . 1 . . . . . 47 ASP CA . 53587 1 279 . 1 . 1 27 27 ASP CB C 13 42.297 0.033 . 1 . . . . . 47 ASP CB . 53587 1 280 . 1 . 1 27 27 ASP N N 15 119.702 0.020 . 1 . . . . . 47 ASP N . 53587 1 281 . 1 . 1 28 28 ALA H H 1 8.800 0.004 . 1 . . . . . 48 ALA H . 53587 1 282 . 1 . 1 28 28 ALA HA H 1 4.085 0.006 . 1 . . . . . 48 ALA HA . 53587 1 283 . 1 . 1 28 28 ALA HB1 H 1 1.465 0.000 . 1 . . . . . 48 ALA HB1 . 53587 1 284 . 1 . 1 28 28 ALA HB2 H 1 1.465 0.000 . 1 . . . . . 48 ALA HB2 . 53587 1 285 . 1 . 1 28 28 ALA HB3 H 1 1.465 0.000 . 1 . . . . . 48 ALA HB3 . 53587 1 286 . 1 . 1 28 28 ALA C C 13 180.361 0.000 . 1 . . . . . 48 ALA C . 53587 1 287 . 1 . 1 28 28 ALA CA C 13 55.384 0.042 . 1 . . . . . 48 ALA CA . 53587 1 288 . 1 . 1 28 28 ALA CB C 13 18.651 0.055 . 1 . . . . . 48 ALA CB . 53587 1 289 . 1 . 1 28 28 ALA N N 15 122.964 0.015 . 1 . . . . . 48 ALA N . 53587 1 290 . 1 . 1 29 29 GLU H H 1 8.176 0.002 . 1 . . . . . 49 GLU H . 53587 1 291 . 1 . 1 29 29 GLU HA H 1 4.051 0.000 . 1 . . . . . 49 GLU HA . 53587 1 292 . 1 . 1 29 29 GLU HB2 H 1 2.047 0.000 . 1 . . . . . 49 GLU HB2 . 53587 1 293 . 1 . 1 29 29 GLU HB3 H 1 2.047 0.000 . 1 . . . . . 49 GLU HB3 . 53587 1 294 . 1 . 1 29 29 GLU HG2 H 1 2.345 0.000 . 2 . . . . . 49 GLU HG2 . 53587 1 295 . 1 . 1 29 29 GLU HG3 H 1 2.157 0.000 . 2 . . . . . 49 GLU HG3 . 53587 1 296 . 1 . 1 29 29 GLU C C 13 179.474 0.000 . 1 . . . . . 49 GLU C . 53587 1 297 . 1 . 1 29 29 GLU CA C 13 59.846 0.027 . 1 . . . . . 49 GLU CA . 53587 1 298 . 1 . 1 29 29 GLU CB C 13 29.646 0.006 . 1 . . . . . 49 GLU CB . 53587 1 299 . 1 . 1 29 29 GLU CG C 13 37.242 0.030 . 1 . . . . . 49 GLU CG . 53587 1 300 . 1 . 1 29 29 GLU N N 15 119.465 0.013 . 1 . . . . . 49 GLU N . 53587 1 301 . 1 . 1 30 30 THR H H 1 8.622 0.003 . 1 . . . . . 50 THR H . 53587 1 302 . 1 . 1 30 30 THR HA H 1 3.460 0.002 . 1 . . . . . 50 THR HA . 53587 1 303 . 1 . 1 30 30 THR HB H 1 3.990 0.005 . 1 . . . . . 50 THR HB . 53587 1 304 . 1 . 1 30 30 THR HG21 H 1 1.170 0.000 . 1 . . . . . 50 THR HG21 . 53587 1 305 . 1 . 1 30 30 THR HG22 H 1 1.170 0.000 . 1 . . . . . 50 THR HG22 . 53587 1 306 . 1 . 1 30 30 THR HG23 H 1 1.170 0.000 . 1 . . . . . 50 THR HG23 . 53587 1 307 . 1 . 1 30 30 THR C C 13 176.246 0.000 . 1 . . . . . 50 THR C . 53587 1 308 . 1 . 1 30 30 THR CA C 13 67.655 0.008 . 1 . . . . . 50 THR CA . 53587 1 309 . 1 . 1 30 30 THR CB C 13 67.973 0.000 . 1 . . . . . 50 THR CB . 53587 1 310 . 1 . 1 30 30 THR CG2 C 13 25.125 0.028 . 1 . . . . . 50 THR CG2 . 53587 1 311 . 1 . 1 30 30 THR N N 15 121.723 0.022 . 1 . . . . . 50 THR N . 53587 1 312 . 1 . 1 31 31 GLU H H 1 8.066 0.003 . 1 . . . . . 51 GLU H . 53587 1 313 . 1 . 1 31 31 GLU HA H 1 3.725 0.002 . 1 . . . . . 51 GLU HA . 53587 1 314 . 1 . 1 31 31 GLU HB2 H 1 1.949 0.000 . 1 . . . . . 51 GLU HB2 . 53587 1 315 . 1 . 1 31 31 GLU HB3 H 1 1.949 0.000 . 1 . . . . . 51 GLU HB3 . 53587 1 316 . 1 . 1 31 31 GLU HG2 H 1 2.307 0.000 . 2 . . . . . 51 GLU HG2 . 53587 1 317 . 1 . 1 31 31 GLU HG3 H 1 1.959 0.000 . 2 . . . . . 51 GLU HG3 . 53587 1 318 . 1 . 1 31 31 GLU C C 13 179.159 0.000 . 1 . . . . . 51 GLU C . 53587 1 319 . 1 . 1 31 31 GLU CA C 13 60.624 0.014 . 1 . . . . . 51 GLU CA . 53587 1 320 . 1 . 1 31 31 GLU CB C 13 29.352 0.010 . 1 . . . . . 51 GLU CB . 53587 1 321 . 1 . 1 31 31 GLU CG C 13 36.569 0.045 . 1 . . . . . 51 GLU CG . 53587 1 322 . 1 . 1 31 31 GLU N N 15 118.866 0.010 . 1 . . . . . 51 GLU N . 53587 1 323 . 1 . 1 32 32 LYS H H 1 7.878 0.003 . 1 . . . . . 52 LYS H . 53587 1 324 . 1 . 1 32 32 LYS HA H 1 4.109 0.001 . 1 . . . . . 52 LYS HA . 53587 1 325 . 1 . 1 32 32 LYS HB2 H 1 1.936 0.000 . 1 . . . . . 52 LYS HB2 . 53587 1 326 . 1 . 1 32 32 LYS HB3 H 1 1.936 0.000 . 1 . . . . . 52 LYS HB3 . 53587 1 327 . 1 . 1 32 32 LYS C C 13 176.876 0.000 . 1 . . . . . 52 LYS C . 53587 1 328 . 1 . 1 32 32 LYS CA C 13 59.084 0.134 . 1 . . . . . 52 LYS CA . 53587 1 329 . 1 . 1 32 32 LYS CB C 13 32.263 0.000 . 1 . . . . . 52 LYS CB . 53587 1 330 . 1 . 1 32 32 LYS CG C 13 24.987 0.000 . 1 . . . . . 52 LYS CG . 53587 1 331 . 1 . 1 32 32 LYS CD C 13 28.520 0.000 . 1 . . . . . 52 LYS CD . 53587 1 332 . 1 . 1 32 32 LYS N N 15 121.282 0.015 . 1 . . . . . 52 LYS N . 53587 1 333 . 1 . 1 33 33 LEU H H 1 7.476 0.004 . 1 . . . . . 53 LEU H . 53587 1 334 . 1 . 1 33 33 LEU HA H 1 4.242 0.001 . 1 . . . . . 53 LEU HA . 53587 1 335 . 1 . 1 33 33 LEU HB2 H 1 1.921 0.001 . 2 . . . . . 53 LEU HB2 . 53587 1 336 . 1 . 1 33 33 LEU HB3 H 1 1.620 0.005 . 2 . . . . . 53 LEU HB3 . 53587 1 337 . 1 . 1 33 33 LEU HG H 1 1.513 0.000 . 1 . . . . . 53 LEU HG . 53587 1 338 . 1 . 1 33 33 LEU HD11 H 1 0.680 0.000 . 2 . . . . . 53 LEU HD11 . 53587 1 339 . 1 . 1 33 33 LEU HD12 H 1 0.680 0.000 . 2 . . . . . 53 LEU HD12 . 53587 1 340 . 1 . 1 33 33 LEU HD13 H 1 0.680 0.000 . 2 . . . . . 53 LEU HD13 . 53587 1 341 . 1 . 1 33 33 LEU HD21 H 1 0.858 0.000 . 2 . . . . . 53 LEU HD21 . 53587 1 342 . 1 . 1 33 33 LEU HD22 H 1 0.858 0.000 . 2 . . . . . 53 LEU HD22 . 53587 1 343 . 1 . 1 33 33 LEU HD23 H 1 0.858 0.000 . 2 . . . . . 53 LEU HD23 . 53587 1 344 . 1 . 1 33 33 LEU C C 13 178.510 0.000 . 1 . . . . . 53 LEU C . 53587 1 345 . 1 . 1 33 33 LEU CA C 13 58.390 0.017 . 1 . . . . . 53 LEU CA . 53587 1 346 . 1 . 1 33 33 LEU CB C 13 41.745 0.007 . 1 . . . . . 53 LEU CB . 53587 1 347 . 1 . 1 33 33 LEU CG C 13 26.761 0.085 . 1 . . . . . 53 LEU CG . 53587 1 348 . 1 . 1 33 33 LEU CD1 C 13 26.929 0.000 . 2 . . . . . 53 LEU CD1 . 53587 1 349 . 1 . 1 33 33 LEU CD2 C 13 24.684 0.000 . 2 . . . . . 53 LEU CD2 . 53587 1 350 . 1 . 1 33 33 LEU N N 15 120.516 0.017 . 1 . . . . . 53 LEU N . 53587 1 351 . 1 . 1 34 34 VAL H H 1 8.148 0.001 . 1 . . . . . 54 VAL H . 53587 1 352 . 1 . 1 34 34 VAL HA H 1 3.322 0.000 . 1 . . . . . 54 VAL HA . 53587 1 353 . 1 . 1 34 34 VAL HB H 1 2.035 0.005 . 1 . . . . . 54 VAL HB . 53587 1 354 . 1 . 1 34 34 VAL HG11 H 1 0.840 0.000 . 2 . . . . . 54 VAL HG11 . 53587 1 355 . 1 . 1 34 34 VAL HG12 H 1 0.840 0.000 . 2 . . . . . 54 VAL HG12 . 53587 1 356 . 1 . 1 34 34 VAL HG13 H 1 0.840 0.000 . 2 . . . . . 54 VAL HG13 . 53587 1 357 . 1 . 1 34 34 VAL HG21 H 1 0.901 0.000 . 2 . . . . . 54 VAL HG21 . 53587 1 358 . 1 . 1 34 34 VAL HG22 H 1 0.901 0.000 . 2 . . . . . 54 VAL HG22 . 53587 1 359 . 1 . 1 34 34 VAL HG23 H 1 0.901 0.000 . 2 . . . . . 54 VAL HG23 . 53587 1 360 . 1 . 1 34 34 VAL C C 13 176.935 0.000 . 1 . . . . . 54 VAL C . 53587 1 361 . 1 . 1 34 34 VAL CA C 13 67.270 0.017 . 1 . . . . . 54 VAL CA . 53587 1 362 . 1 . 1 34 34 VAL CB C 13 32.112 0.153 . 1 . . . . . 54 VAL CB . 53587 1 363 . 1 . 1 34 34 VAL CG1 C 13 21.642 0.009 . 2 . . . . . 54 VAL CG1 . 53587 1 364 . 1 . 1 34 34 VAL CG2 C 13 25.401 0.000 . 2 . . . . . 54 VAL CG2 . 53587 1 365 . 1 . 1 34 34 VAL N N 15 117.481 0.030 . 1 . . . . . 54 VAL N . 53587 1 366 . 1 . 1 35 35 ALA H H 1 7.938 0.003 . 1 . . . . . 55 ALA H . 53587 1 367 . 1 . 1 35 35 ALA HA H 1 4.118 0.002 . 1 . . . . . 55 ALA HA . 53587 1 368 . 1 . 1 35 35 ALA HB1 H 1 1.525 0.001 . 1 . . . . . 55 ALA HB1 . 53587 1 369 . 1 . 1 35 35 ALA HB2 H 1 1.525 0.001 . 1 . . . . . 55 ALA HB2 . 53587 1 370 . 1 . 1 35 35 ALA HB3 H 1 1.525 0.001 . 1 . . . . . 55 ALA HB3 . 53587 1 371 . 1 . 1 35 35 ALA C C 13 181.442 0.000 . 1 . . . . . 55 ALA C . 53587 1 372 . 1 . 1 35 35 ALA CA C 13 55.127 0.047 . 1 . . . . . 55 ALA CA . 53587 1 373 . 1 . 1 35 35 ALA CB C 13 18.042 0.035 . 1 . . . . . 55 ALA CB . 53587 1 374 . 1 . 1 35 35 ALA N N 15 121.044 0.013 . 1 . . . . . 55 ALA N . 53587 1 375 . 1 . 1 36 36 ASP H H 1 8.743 0.005 . 1 . . . . . 56 ASP H . 53587 1 376 . 1 . 1 36 36 ASP HA H 1 4.414 0.001 . 1 . . . . . 56 ASP HA . 53587 1 377 . 1 . 1 36 36 ASP HB2 H 1 2.951 0.002 . 2 . . . . . 56 ASP HB2 . 53587 1 378 . 1 . 1 36 36 ASP HB3 H 1 2.679 0.005 . 2 . . . . . 56 ASP HB3 . 53587 1 379 . 1 . 1 36 36 ASP C C 13 179.907 0.000 . 1 . . . . . 56 ASP C . 53587 1 380 . 1 . 1 36 36 ASP CA C 13 57.433 0.016 . 1 . . . . . 56 ASP CA . 53587 1 381 . 1 . 1 36 36 ASP CB C 13 39.891 0.020 . 1 . . . . . 56 ASP CB . 53587 1 382 . 1 . 1 36 36 ASP N N 15 120.835 0.020 . 1 . . . . . 56 ASP N . 53587 1 383 . 1 . 1 37 37 ILE H H 1 8.962 0.002 . 1 . . . . . 57 ILE H . 53587 1 384 . 1 . 1 37 37 ILE HA H 1 3.934 0.001 . 1 . . . . . 57 ILE HA . 53587 1 385 . 1 . 1 37 37 ILE HB H 1 2.031 0.000 . 1 . . . . . 57 ILE HB . 53587 1 386 . 1 . 1 37 37 ILE HG21 H 1 0.928 0.000 . 1 . . . . . 57 ILE HG21 . 53587 1 387 . 1 . 1 37 37 ILE HG22 H 1 0.928 0.000 . 1 . . . . . 57 ILE HG22 . 53587 1 388 . 1 . 1 37 37 ILE HG23 H 1 0.928 0.000 . 1 . . . . . 57 ILE HG23 . 53587 1 389 . 1 . 1 37 37 ILE HD11 H 1 0.867 0.000 . 1 . . . . . 57 ILE HD11 . 53587 1 390 . 1 . 1 37 37 ILE HD12 H 1 0.867 0.000 . 1 . . . . . 57 ILE HD12 . 53587 1 391 . 1 . 1 37 37 ILE HD13 H 1 0.867 0.000 . 1 . . . . . 57 ILE HD13 . 53587 1 392 . 1 . 1 37 37 ILE C C 13 179.061 0.000 . 1 . . . . . 57 ILE C . 53587 1 393 . 1 . 1 37 37 ILE CA C 13 63.279 0.014 . 1 . . . . . 57 ILE CA . 53587 1 394 . 1 . 1 37 37 ILE CB C 13 36.100 0.018 . 1 . . . . . 57 ILE CB . 53587 1 395 . 1 . 1 37 37 ILE CG1 C 13 28.281 0.000 . 1 . . . . . 57 ILE CG1 . 53587 1 396 . 1 . 1 37 37 ILE CG2 C 13 17.598 0.076 . 1 . . . . . 57 ILE CG2 . 53587 1 397 . 1 . 1 37 37 ILE CD1 C 13 11.766 0.000 . 1 . . . . . 57 ILE CD1 . 53587 1 398 . 1 . 1 37 37 ILE N N 15 122.690 0.032 . 1 . . . . . 57 ILE N . 53587 1 399 . 1 . 1 38 38 ASN H H 1 8.993 0.003 . 1 . . . . . 58 ASN H . 53587 1 400 . 1 . 1 38 38 ASN HB2 H 1 2.708 0.001 . 2 . . . . . 58 ASN HB2 . 53587 1 401 . 1 . 1 38 38 ASN HB3 H 1 3.137 0.004 . 2 . . . . . 58 ASN HB3 . 53587 1 402 . 1 . 1 38 38 ASN HD21 H 1 7.467 0.000 . 1 . . . . . 58 ASN HD21 . 53587 1 403 . 1 . 1 38 38 ASN HD22 H 1 7.909 0.000 . 1 . . . . . 58 ASN HD22 . 53587 1 404 . 1 . 1 38 38 ASN C C 13 178.667 0.000 . 1 . . . . . 58 ASN C . 53587 1 405 . 1 . 1 38 38 ASN CA C 13 55.917 0.000 . 1 . . . . . 58 ASN CA . 53587 1 406 . 1 . 1 38 38 ASN CB C 13 36.374 0.033 . 1 . . . . . 58 ASN CB . 53587 1 407 . 1 . 1 38 38 ASN N N 15 119.718 0.014 . 1 . . . . . 58 ASN N . 53587 1 408 . 1 . 1 38 38 ASN ND2 N 15 110.264 0.003 . 1 . . . . . 58 ASN ND2 . 53587 1 409 . 1 . 1 39 39 ALA H H 1 8.002 0.003 . 1 . . . . . 59 ALA H . 53587 1 410 . 1 . 1 39 39 ALA HA H 1 4.270 0.002 . 1 . . . . . 59 ALA HA . 53587 1 411 . 1 . 1 39 39 ALA HB1 H 1 1.603 0.001 . 1 . . . . . 59 ALA HB1 . 53587 1 412 . 1 . 1 39 39 ALA HB2 H 1 1.603 0.001 . 1 . . . . . 59 ALA HB2 . 53587 1 413 . 1 . 1 39 39 ALA HB3 H 1 1.603 0.001 . 1 . . . . . 59 ALA HB3 . 53587 1 414 . 1 . 1 39 39 ALA C C 13 180.891 0.000 . 1 . . . . . 59 ALA C . 53587 1 415 . 1 . 1 39 39 ALA CA C 13 55.502 0.051 . 1 . . . . . 59 ALA CA . 53587 1 416 . 1 . 1 39 39 ALA CB C 13 17.878 0.045 . 1 . . . . . 59 ALA CB . 53587 1 417 . 1 . 1 39 39 ALA N N 15 123.826 0.008 . 1 . . . . . 59 ALA N . 53587 1 418 . 1 . 1 40 40 GLU H H 1 7.662 0.003 . 1 . . . . . 60 GLU H . 53587 1 419 . 1 . 1 40 40 GLU HA H 1 4.117 0.000 . 1 . . . . . 60 GLU HA . 53587 1 420 . 1 . 1 40 40 GLU HB2 H 1 2.262 0.000 . 1 . . . . . 60 GLU HB2 . 53587 1 421 . 1 . 1 40 40 GLU HG2 H 1 2.462 0.000 . 1 . . . . . 60 GLU HG2 . 53587 1 422 . 1 . 1 40 40 GLU C C 13 179.911 0.000 . 1 . . . . . 60 GLU C . 53587 1 423 . 1 . 1 40 40 GLU CA C 13 59.426 0.003 . 1 . . . . . 60 GLU CA . 53587 1 424 . 1 . 1 40 40 GLU CB C 13 29.557 0.006 . 1 . . . . . 60 GLU CB . 53587 1 425 . 1 . 1 40 40 GLU CG C 13 36.185 0.007 . 1 . . . . . 60 GLU CG . 53587 1 426 . 1 . 1 40 40 GLU N N 15 122.062 0.015 . 1 . . . . . 60 GLU N . 53587 1 427 . 1 . 1 41 41 ARG H H 1 9.054 0.003 . 1 . . . . . 61 ARG H . 53587 1 428 . 1 . 1 41 41 ARG HA H 1 3.621 0.000 . 1 . . . . . 61 ARG HA . 53587 1 429 . 1 . 1 41 41 ARG C C 13 176.759 0.000 . 1 . . . . . 61 ARG C . 53587 1 430 . 1 . 1 41 41 ARG CA C 13 59.548 0.016 . 1 . . . . . 61 ARG CA . 53587 1 431 . 1 . 1 41 41 ARG CB C 13 30.477 0.000 . 1 . . . . . 61 ARG CB . 53587 1 432 . 1 . 1 41 41 ARG N N 15 121.062 0.023 . 1 . . . . . 61 ARG N . 53587 1 433 . 1 . 1 42 42 LYS H H 1 8.676 0.003 . 1 . . . . . 62 LYS H . 53587 1 434 . 1 . 1 42 42 LYS HA H 1 4.183 0.000 . 1 . . . . . 62 LYS HA . 53587 1 435 . 1 . 1 42 42 LYS HB2 H 1 2.150 0.000 . 1 . . . . . 62 LYS HB2 . 53587 1 436 . 1 . 1 42 42 LYS C C 13 178.388 0.000 . 1 . . . . . 62 LYS C . 53587 1 437 . 1 . 1 42 42 LYS CA C 13 60.173 0.031 . 1 . . . . . 62 LYS CA . 53587 1 438 . 1 . 1 42 42 LYS CB C 13 32.633 0.044 . 1 . . . . . 62 LYS CB . 53587 1 439 . 1 . 1 42 42 LYS CG C 13 24.778 0.000 . 1 . . . . . 62 LYS CG . 53587 1 440 . 1 . 1 42 42 LYS N N 15 119.208 0.010 . 1 . . . . . 62 LYS N . 53587 1 441 . 1 . 1 43 43 ALA H H 1 7.468 0.002 . 1 . . . . . 63 ALA H . 53587 1 442 . 1 . 1 43 43 ALA HA H 1 4.267 0.003 . 1 . . . . . 63 ALA HA . 53587 1 443 . 1 . 1 43 43 ALA HB1 H 1 1.531 0.001 . 1 . . . . . 63 ALA HB1 . 53587 1 444 . 1 . 1 43 43 ALA HB2 H 1 1.531 0.001 . 1 . . . . . 63 ALA HB2 . 53587 1 445 . 1 . 1 43 43 ALA HB3 H 1 1.531 0.001 . 1 . . . . . 63 ALA HB3 . 53587 1 446 . 1 . 1 43 43 ALA C C 13 181.025 0.000 . 1 . . . . . 63 ALA C . 53587 1 447 . 1 . 1 43 43 ALA CA C 13 55.150 0.029 . 1 . . . . . 63 ALA CA . 53587 1 448 . 1 . 1 43 43 ALA CB C 13 17.701 0.019 . 1 . . . . . 63 ALA CB . 53587 1 449 . 1 . 1 43 43 ALA N N 15 119.424 0.020 . 1 . . . . . 63 ALA N . 53587 1 450 . 1 . 1 44 44 SER H H 1 7.880 0.004 . 1 . . . . . 64 SER H . 53587 1 451 . 1 . 1 44 44 SER HA H 1 4.317 0.000 . 1 . . . . . 64 SER HA . 53587 1 452 . 1 . 1 44 44 SER HB2 H 1 3.942 0.001 . 1 . . . . . 64 SER HB2 . 53587 1 453 . 1 . 1 44 44 SER HB3 H 1 3.942 0.001 . 1 . . . . . 64 SER HB3 . 53587 1 454 . 1 . 1 44 44 SER C C 13 177.516 0.000 . 1 . . . . . 64 SER C . 53587 1 455 . 1 . 1 44 44 SER CA C 13 61.543 0.029 . 1 . . . . . 64 SER CA . 53587 1 456 . 1 . 1 44 44 SER CB C 13 62.860 0.065 . 1 . . . . . 64 SER CB . 53587 1 457 . 1 . 1 44 44 SER N N 15 116.241 0.016 . 1 . . . . . 64 SER N . 53587 1 458 . 1 . 1 45 45 TYR H H 1 9.343 0.001 . 1 . . . . . 65 TYR H . 53587 1 459 . 1 . 1 45 45 TYR HA H 1 4.698 0.002 . 1 . . . . . 65 TYR HA . 53587 1 460 . 1 . 1 45 45 TYR HB2 H 1 3.193 0.000 . 2 . . . . . 65 TYR HB2 . 53587 1 461 . 1 . 1 45 45 TYR HB3 H 1 3.238 0.003 . 2 . . . . . 65 TYR HB3 . 53587 1 462 . 1 . 1 45 45 TYR C C 13 179.157 0.000 . 1 . . . . . 65 TYR C . 53587 1 463 . 1 . 1 45 45 TYR CA C 13 57.251 0.039 . 1 . . . . . 65 TYR CA . 53587 1 464 . 1 . 1 45 45 TYR CB C 13 36.428 0.011 . 1 . . . . . 65 TYR CB . 53587 1 465 . 1 . 1 45 45 TYR N N 15 122.912 0.026 . 1 . . . . . 65 TYR N . 53587 1 466 . 1 . 1 46 46 GLN H H 1 8.862 0.003 . 1 . . . . . 66 GLN H . 53587 1 467 . 1 . 1 46 46 GLN HA H 1 4.109 0.002 . 1 . . . . . 66 GLN HA . 53587 1 468 . 1 . 1 46 46 GLN HB2 H 1 2.440 0.000 . 2 . . . . . 66 GLN HB2 . 53587 1 469 . 1 . 1 46 46 GLN HB3 H 1 2.135 0.000 . 2 . . . . . 66 GLN HB3 . 53587 1 470 . 1 . 1 46 46 GLN HG2 H 1 2.765 0.000 . 2 . . . . . 66 GLN HG2 . 53587 1 471 . 1 . 1 46 46 GLN HG3 H 1 2.493 0.000 . 2 . . . . . 66 GLN HG3 . 53587 1 472 . 1 . 1 46 46 GLN HE21 H 1 7.019 0.000 . 1 . . . . . 66 GLN HE21 . 53587 1 473 . 1 . 1 46 46 GLN HE22 H 1 7.511 0.000 . 1 . . . . . 66 GLN HE22 . 53587 1 474 . 1 . 1 46 46 GLN C C 13 179.079 0.000 . 1 . . . . . 66 GLN C . 53587 1 475 . 1 . 1 46 46 GLN CA C 13 59.291 0.021 . 1 . . . . . 66 GLN CA . 53587 1 476 . 1 . 1 46 46 GLN CB C 13 28.575 0.061 . 1 . . . . . 66 GLN CB . 53587 1 477 . 1 . 1 46 46 GLN CG C 13 34.782 0.014 . 1 . . . . . 66 GLN CG . 53587 1 478 . 1 . 1 46 46 GLN N N 15 118.474 0.039 . 1 . . . . . 66 GLN N . 53587 1 479 . 1 . 1 46 46 GLN NE2 N 15 111.523 0.002 . 1 . . . . . 66 GLN NE2 . 53587 1 480 . 1 . 1 47 47 GLN H H 1 7.823 0.002 . 1 . . . . . 67 GLN H . 53587 1 481 . 1 . 1 47 47 GLN HA H 1 4.203 0.001 . 1 . . . . . 67 GLN HA . 53587 1 482 . 1 . 1 47 47 GLN HB2 H 1 2.311 0.000 . 1 . . . . . 67 GLN HB2 . 53587 1 483 . 1 . 1 47 47 GLN HB3 H 1 2.311 0.000 . 1 . . . . . 67 GLN HB3 . 53587 1 484 . 1 . 1 47 47 GLN HG2 H 1 2.551 0.000 . 2 . . . . . 67 GLN HG2 . 53587 1 485 . 1 . 1 47 47 GLN HG3 H 1 2.490 0.000 . 2 . . . . . 67 GLN HG3 . 53587 1 486 . 1 . 1 47 47 GLN HE21 H 1 7.518 0.000 . 1 . . . . . 67 GLN HE21 . 53587 1 487 . 1 . 1 47 47 GLN HE22 H 1 6.912 0.000 . 1 . . . . . 67 GLN HE22 . 53587 1 488 . 1 . 1 47 47 GLN C C 13 178.850 0.000 . 1 . . . . . 67 GLN C . 53587 1 489 . 1 . 1 47 47 GLN CA C 13 59.171 0.014 . 1 . . . . . 67 GLN CA . 53587 1 490 . 1 . 1 47 47 GLN CB C 13 28.262 0.006 . 1 . . . . . 67 GLN CB . 53587 1 491 . 1 . 1 47 47 GLN CG C 13 33.641 0.022 . 1 . . . . . 67 GLN CG . 53587 1 492 . 1 . 1 47 47 GLN N N 15 120.514 0.019 . 1 . . . . . 67 GLN N . 53587 1 493 . 1 . 1 47 47 GLN NE2 N 15 112.257 0.000 . 1 . . . . . 67 GLN NE2 . 53587 1 494 . 1 . 1 48 48 LEU H H 1 8.206 0.003 . 1 . . . . . 68 LEU H . 53587 1 495 . 1 . 1 48 48 LEU HA H 1 4.113 0.000 . 1 . . . . . 68 LEU HA . 53587 1 496 . 1 . 1 48 48 LEU HB2 H 1 2.055 0.001 . 2 . . . . . 68 LEU HB2 . 53587 1 497 . 1 . 1 48 48 LEU HB3 H 1 1.513 0.002 . 2 . . . . . 68 LEU HB3 . 53587 1 498 . 1 . 1 48 48 LEU HD11 H 1 0.987 0.000 . 2 . . . . . 68 LEU HD11 . 53587 1 499 . 1 . 1 48 48 LEU HD12 H 1 0.987 0.000 . 2 . . . . . 68 LEU HD12 . 53587 1 500 . 1 . 1 48 48 LEU HD13 H 1 0.987 0.000 . 2 . . . . . 68 LEU HD13 . 53587 1 501 . 1 . 1 48 48 LEU HD21 H 1 0.937 0.000 . 2 . . . . . 68 LEU HD21 . 53587 1 502 . 1 . 1 48 48 LEU HD22 H 1 0.937 0.000 . 2 . . . . . 68 LEU HD22 . 53587 1 503 . 1 . 1 48 48 LEU HD23 H 1 0.937 0.000 . 2 . . . . . 68 LEU HD23 . 53587 1 504 . 1 . 1 48 48 LEU C C 13 179.415 0.000 . 1 . . . . . 68 LEU C . 53587 1 505 . 1 . 1 48 48 LEU CA C 13 57.745 0.023 . 1 . . . . . 68 LEU CA . 53587 1 506 . 1 . 1 48 48 LEU CB C 13 42.655 0.016 . 1 . . . . . 68 LEU CB . 53587 1 507 . 1 . 1 48 48 LEU CG C 13 27.150 0.000 . 1 . . . . . 68 LEU CG . 53587 1 508 . 1 . 1 48 48 LEU CD1 C 13 25.135 0.126 . 2 . . . . . 68 LEU CD1 . 53587 1 509 . 1 . 1 48 48 LEU CD2 C 13 23.461 0.075 . 2 . . . . . 68 LEU CD2 . 53587 1 510 . 1 . 1 48 48 LEU N N 15 121.374 0.016 . 1 . . . . . 68 LEU N . 53587 1 511 . 1 . 1 49 49 ALA H H 1 8.693 0.004 . 1 . . . . . 69 ALA H . 53587 1 512 . 1 . 1 49 49 ALA HA H 1 3.866 0.000 . 1 . . . . . 69 ALA HA . 53587 1 513 . 1 . 1 49 49 ALA HB1 H 1 1.574 0.001 . 1 . . . . . 69 ALA HB1 . 53587 1 514 . 1 . 1 49 49 ALA HB2 H 1 1.574 0.001 . 1 . . . . . 69 ALA HB2 . 53587 1 515 . 1 . 1 49 49 ALA HB3 H 1 1.574 0.001 . 1 . . . . . 69 ALA HB3 . 53587 1 516 . 1 . 1 49 49 ALA C C 13 179.745 0.000 . 1 . . . . . 69 ALA C . 53587 1 517 . 1 . 1 49 49 ALA CA C 13 55.665 0.012 . 1 . . . . . 69 ALA CA . 53587 1 518 . 1 . 1 49 49 ALA CB C 13 18.182 0.041 . 1 . . . . . 69 ALA CB . 53587 1 519 . 1 . 1 49 49 ALA N N 15 124.070 0.020 . 1 . . . . . 69 ALA N . 53587 1 520 . 1 . 1 50 50 LYS H H 1 7.621 0.004 . 1 . . . . . 70 LYS H . 53587 1 521 . 1 . 1 50 50 LYS HA H 1 4.208 0.002 . 1 . . . . . 70 LYS HA . 53587 1 522 . 1 . 1 50 50 LYS HB2 H 1 2.032 0.000 . 1 . . . . . 70 LYS HB2 . 53587 1 523 . 1 . 1 50 50 LYS HB3 H 1 2.032 0.000 . 1 . . . . . 70 LYS HB3 . 53587 1 524 . 1 . 1 50 50 LYS C C 13 179.784 0.000 . 1 . . . . . 70 LYS C . 53587 1 525 . 1 . 1 50 50 LYS CA C 13 58.877 0.071 . 1 . . . . . 70 LYS CA . 53587 1 526 . 1 . 1 50 50 LYS CB C 13 32.264 0.000 . 1 . . . . . 70 LYS CB . 53587 1 527 . 1 . 1 50 50 LYS CG C 13 24.799 0.000 . 1 . . . . . 70 LYS CG . 53587 1 528 . 1 . 1 50 50 LYS N N 15 117.412 0.020 . 1 . . . . . 70 LYS N . 53587 1 529 . 1 . 1 51 51 GLN H H 1 7.982 0.004 . 1 . . . . . 71 GLN H . 53587 1 530 . 1 . 1 51 51 GLN HA H 1 4.078 0.000 . 1 . . . . . 71 GLN HA . 53587 1 531 . 1 . 1 51 51 GLN HB2 H 1 2.128 0.002 . 2 . . . . . 71 GLN HB2 . 53587 1 532 . 1 . 1 51 51 GLN HB3 H 1 2.226 0.000 . 2 . . . . . 71 GLN HB3 . 53587 1 533 . 1 . 1 51 51 GLN HG2 H 1 2.494 0.000 . 1 . . . . . 71 GLN HG2 . 53587 1 534 . 1 . 1 51 51 GLN HE21 H 1 6.842 0.000 . 1 . . . . . 71 GLN HE21 . 53587 1 535 . 1 . 1 51 51 GLN HE22 H 1 7.534 0.000 . 1 . . . . . 71 GLN HE22 . 53587 1 536 . 1 . 1 51 51 GLN C C 13 177.274 0.000 . 1 . . . . . 71 GLN C . 53587 1 537 . 1 . 1 51 51 GLN CA C 13 58.491 0.052 . 1 . . . . . 71 GLN CA . 53587 1 538 . 1 . 1 51 51 GLN CB C 13 29.105 0.056 . 1 . . . . . 71 GLN CB . 53587 1 539 . 1 . 1 51 51 GLN CG C 13 33.745 0.027 . 1 . . . . . 71 GLN CG . 53587 1 540 . 1 . 1 51 51 GLN N N 15 118.229 0.028 . 1 . . . . . 71 GLN N . 53587 1 541 . 1 . 1 51 51 GLN NE2 N 15 111.674 0.003 . 1 . . . . . 71 GLN NE2 . 53587 1 542 . 1 . 1 52 52 ASN H H 1 7.979 0.004 . 1 . . . . . 72 ASN H . 53587 1 543 . 1 . 1 52 52 ASN HA H 1 4.790 0.002 . 1 . . . . . 72 ASN HA . 53587 1 544 . 1 . 1 52 52 ASN HB2 H 1 2.940 0.000 . 2 . . . . . 72 ASN HB2 . 53587 1 545 . 1 . 1 52 52 ASN HB3 H 1 2.605 0.001 . 2 . . . . . 72 ASN HB3 . 53587 1 546 . 1 . 1 52 52 ASN HD21 H 1 7.182 0.000 . 1 . . . . . 72 ASN HD21 . 53587 1 547 . 1 . 1 52 52 ASN HD22 H 1 7.213 0.000 . 1 . . . . . 72 ASN HD22 . 53587 1 548 . 1 . 1 52 52 ASN C C 13 173.836 0.000 . 1 . . . . . 72 ASN C . 53587 1 549 . 1 . 1 52 52 ASN CA C 13 53.349 0.007 . 1 . . . . . 72 ASN CA . 53587 1 550 . 1 . 1 52 52 ASN CB C 13 39.648 0.036 . 1 . . . . . 72 ASN CB . 53587 1 551 . 1 . 1 52 52 ASN N N 15 114.181 0.014 . 1 . . . . . 72 ASN N . 53587 1 552 . 1 . 1 52 52 ASN ND2 N 15 111.978 0.000 . 1 . . . . . 72 ASN ND2 . 53587 1 553 . 1 . 1 53 53 ASN H H 1 8.026 0.003 . 1 . . . . . 73 ASN H . 53587 1 554 . 1 . 1 53 53 ASN HA H 1 4.488 0.002 . 1 . . . . . 73 ASN HA . 53587 1 555 . 1 . 1 53 53 ASN HB2 H 1 2.743 0.001 . 2 . . . . . 73 ASN HB2 . 53587 1 556 . 1 . 1 53 53 ASN HB3 H 1 3.206 0.002 . 2 . . . . . 73 ASN HB3 . 53587 1 557 . 1 . 1 53 53 ASN HD21 H 1 7.606 0.000 . 1 . . . . . 73 ASN HD21 . 53587 1 558 . 1 . 1 53 53 ASN HD22 H 1 6.832 0.000 . 1 . . . . . 73 ASN HD22 . 53587 1 559 . 1 . 1 53 53 ASN C C 13 174.231 0.000 . 1 . . . . . 73 ASN C . 53587 1 560 . 1 . 1 53 53 ASN CA C 13 54.514 0.011 . 1 . . . . . 73 ASN CA . 53587 1 561 . 1 . 1 53 53 ASN CB C 13 37.230 0.039 . 1 . . . . . 73 ASN CB . 53587 1 562 . 1 . 1 53 53 ASN N N 15 119.154 0.019 . 1 . . . . . 73 ASN N . 53587 1 563 . 1 . 1 53 53 ASN ND2 N 15 112.882 0.000 . 1 . . . . . 73 ASN ND2 . 53587 1 564 . 1 . 1 54 54 VAL H H 1 8.036 0.005 . 1 . . . . . 74 VAL H . 53587 1 565 . 1 . 1 54 54 VAL HA H 1 4.700 0.004 . 1 . . . . . 74 VAL HA . 53587 1 566 . 1 . 1 54 54 VAL HB H 1 2.441 0.000 . 1 . . . . . 74 VAL HB . 53587 1 567 . 1 . 1 54 54 VAL HG11 H 1 0.863 0.007 . 2 . . . . . 74 VAL HG11 . 53587 1 568 . 1 . 1 54 54 VAL HG12 H 1 0.863 0.007 . 2 . . . . . 74 VAL HG12 . 53587 1 569 . 1 . 1 54 54 VAL HG13 H 1 0.863 0.007 . 2 . . . . . 74 VAL HG13 . 53587 1 570 . 1 . 1 54 54 VAL HG21 H 1 0.963 0.008 . 2 . . . . . 74 VAL HG21 . 53587 1 571 . 1 . 1 54 54 VAL HG22 H 1 0.963 0.008 . 2 . . . . . 74 VAL HG22 . 53587 1 572 . 1 . 1 54 54 VAL HG23 H 1 0.963 0.008 . 2 . . . . . 74 VAL HG23 . 53587 1 573 . 1 . 1 54 54 VAL C C 13 174.665 0.000 . 1 . . . . . 74 VAL C . 53587 1 574 . 1 . 1 54 54 VAL CA C 13 59.582 0.067 . 1 . . . . . 74 VAL CA . 53587 1 575 . 1 . 1 54 54 VAL CB C 13 35.116 0.027 . 1 . . . . . 74 VAL CB . 53587 1 576 . 1 . 1 54 54 VAL CG1 C 13 19.294 0.041 . 2 . . . . . 74 VAL CG1 . 53587 1 577 . 1 . 1 54 54 VAL CG2 C 13 21.436 0.131 . 2 . . . . . 74 VAL CG2 . 53587 1 578 . 1 . 1 54 54 VAL N N 15 112.571 0.050 . 1 . . . . . 74 VAL N . 53587 1 579 . 1 . 1 55 55 SER H H 1 8.626 0.004 . 1 . . . . . 75 SER H . 53587 1 580 . 1 . 1 55 55 SER HA H 1 4.589 0.001 . 1 . . . . . 75 SER HA . 53587 1 581 . 1 . 1 55 55 SER HB2 H 1 4.256 0.001 . 2 . . . . . 75 SER HB2 . 53587 1 582 . 1 . 1 55 55 SER HB3 H 1 3.980 0.000 . 2 . . . . . 75 SER HB3 . 53587 1 583 . 1 . 1 55 55 SER C C 13 176.174 0.000 . 1 . . . . . 75 SER C . 53587 1 584 . 1 . 1 55 55 SER CA C 13 57.642 0.011 . 1 . . . . . 75 SER CA . 53587 1 585 . 1 . 1 55 55 SER CB C 13 64.856 0.025 . 1 . . . . . 75 SER CB . 53587 1 586 . 1 . 1 55 55 SER N N 15 115.958 0.028 . 1 . . . . . 75 SER N . 53587 1 587 . 1 . 1 56 56 VAL H H 1 8.851 0.003 . 1 . . . . . 76 VAL H . 53587 1 588 . 1 . 1 56 56 VAL HA H 1 3.590 0.002 . 1 . . . . . 76 VAL HA . 53587 1 589 . 1 . 1 56 56 VAL HB H 1 2.119 0.000 . 1 . . . . . 76 VAL HB . 53587 1 590 . 1 . 1 56 56 VAL HG11 H 1 1.109 0.000 . 2 . . . . . 76 VAL HG11 . 53587 1 591 . 1 . 1 56 56 VAL HG12 H 1 1.109 0.000 . 2 . . . . . 76 VAL HG12 . 53587 1 592 . 1 . 1 56 56 VAL HG13 H 1 1.109 0.000 . 2 . . . . . 76 VAL HG13 . 53587 1 593 . 1 . 1 56 56 VAL HG21 H 1 1.148 0.000 . 2 . . . . . 76 VAL HG21 . 53587 1 594 . 1 . 1 56 56 VAL HG22 H 1 1.148 0.000 . 2 . . . . . 76 VAL HG22 . 53587 1 595 . 1 . 1 56 56 VAL HG23 H 1 1.148 0.000 . 2 . . . . . 76 VAL HG23 . 53587 1 596 . 1 . 1 56 56 VAL C C 13 176.700 0.000 . 1 . . . . . 76 VAL C . 53587 1 597 . 1 . 1 56 56 VAL CA C 13 66.231 0.016 . 1 . . . . . 76 VAL CA . 53587 1 598 . 1 . 1 56 56 VAL CB C 13 31.676 0.104 . 1 . . . . . 76 VAL CB . 53587 1 599 . 1 . 1 56 56 VAL CG1 C 13 20.918 0.189 . 2 . . . . . 76 VAL CG1 . 53587 1 600 . 1 . 1 56 56 VAL CG2 C 13 23.337 0.107 . 2 . . . . . 76 VAL CG2 . 53587 1 601 . 1 . 1 56 56 VAL N N 15 124.045 0.023 . 1 . . . . . 76 VAL N . 53587 1 602 . 1 . 1 57 57 ASP H H 1 7.958 0.005 . 1 . . . . . 77 ASP H . 53587 1 603 . 1 . 1 57 57 ASP HA H 1 4.480 0.000 . 1 . . . . . 77 ASP HA . 53587 1 604 . 1 . 1 57 57 ASP HB2 H 1 2.659 0.004 . 2 . . . . . 77 ASP HB2 . 53587 1 605 . 1 . 1 57 57 ASP HB3 H 1 2.561 0.001 . 2 . . . . . 77 ASP HB3 . 53587 1 606 . 1 . 1 57 57 ASP C C 13 178.156 0.000 . 1 . . . . . 77 ASP C . 53587 1 607 . 1 . 1 57 57 ASP CA C 13 57.163 0.026 . 1 . . . . . 77 ASP CA . 53587 1 608 . 1 . 1 57 57 ASP CB C 13 40.905 0.017 . 1 . . . . . 77 ASP CB . 53587 1 609 . 1 . 1 57 57 ASP N N 15 118.696 0.016 . 1 . . . . . 77 ASP N . 53587 1 610 . 1 . 1 58 58 ASP H H 1 7.674 0.004 . 1 . . . . . 78 ASP H . 53587 1 611 . 1 . 1 58 58 ASP HA H 1 4.378 0.003 . 1 . . . . . 78 ASP HA . 53587 1 612 . 1 . 1 58 58 ASP HB2 H 1 2.949 0.000 . 2 . . . . . 78 ASP HB2 . 53587 1 613 . 1 . 1 58 58 ASP HB3 H 1 2.590 0.000 . 2 . . . . . 78 ASP HB3 . 53587 1 614 . 1 . 1 58 58 ASP C C 13 179.277 0.000 . 1 . . . . . 78 ASP C . 53587 1 615 . 1 . 1 58 58 ASP CA C 13 57.374 0.091 . 1 . . . . . 78 ASP CA . 53587 1 616 . 1 . 1 58 58 ASP CB C 13 40.007 0.079 . 1 . . . . . 78 ASP CB . 53587 1 617 . 1 . 1 58 58 ASP N N 15 120.004 0.023 . 1 . . . . . 78 ASP N . 53587 1 618 . 1 . 1 59 59 ILE H H 1 7.415 0.002 . 1 . . . . . 79 ILE H . 53587 1 619 . 1 . 1 59 59 ILE HA H 1 3.642 0.000 . 1 . . . . . 79 ILE HA . 53587 1 620 . 1 . 1 59 59 ILE HB H 1 2.230 0.002 . 1 . . . . . 79 ILE HB . 53587 1 621 . 1 . 1 59 59 ILE HG21 H 1 1.031 0.005 . 1 . . . . . 79 ILE HG21 . 53587 1 622 . 1 . 1 59 59 ILE HG22 H 1 1.031 0.005 . 1 . . . . . 79 ILE HG22 . 53587 1 623 . 1 . 1 59 59 ILE HG23 H 1 1.031 0.005 . 1 . . . . . 79 ILE HG23 . 53587 1 624 . 1 . 1 59 59 ILE HD11 H 1 0.633 0.000 . 1 . . . . . 79 ILE HD11 . 53587 1 625 . 1 . 1 59 59 ILE HD12 H 1 0.633 0.000 . 1 . . . . . 79 ILE HD12 . 53587 1 626 . 1 . 1 59 59 ILE HD13 H 1 0.633 0.000 . 1 . . . . . 79 ILE HD13 . 53587 1 627 . 1 . 1 59 59 ILE C C 13 178.232 0.000 . 1 . . . . . 79 ILE C . 53587 1 628 . 1 . 1 59 59 ILE CA C 13 61.053 0.024 . 1 . . . . . 79 ILE CA . 53587 1 629 . 1 . 1 59 59 ILE CB C 13 36.129 0.102 . 1 . . . . . 79 ILE CB . 53587 1 630 . 1 . 1 59 59 ILE CG1 C 13 26.268 0.000 . 1 . . . . . 79 ILE CG1 . 53587 1 631 . 1 . 1 59 59 ILE CG2 C 13 18.543 0.033 . 1 . . . . . 79 ILE CG2 . 53587 1 632 . 1 . 1 59 59 ILE CD1 C 13 8.855 0.000 . 1 . . . . . 79 ILE CD1 . 53587 1 633 . 1 . 1 59 59 ILE N N 15 120.607 0.037 . 1 . . . . . 79 ILE N . 53587 1 634 . 1 . 1 60 60 ALA H H 1 8.511 0.002 . 1 . . . . . 80 ALA H . 53587 1 635 . 1 . 1 60 60 ALA HA H 1 2.508 0.002 . 1 . . . . . 80 ALA HA . 53587 1 636 . 1 . 1 60 60 ALA HB1 H 1 1.287 0.000 . 1 . . . . . 80 ALA HB1 . 53587 1 637 . 1 . 1 60 60 ALA HB2 H 1 1.287 0.000 . 1 . . . . . 80 ALA HB2 . 53587 1 638 . 1 . 1 60 60 ALA HB3 H 1 1.287 0.000 . 1 . . . . . 80 ALA HB3 . 53587 1 639 . 1 . 1 60 60 ALA C C 13 179.162 0.000 . 1 . . . . . 80 ALA C . 53587 1 640 . 1 . 1 60 60 ALA CA C 13 54.908 0.015 . 1 . . . . . 80 ALA CA . 53587 1 641 . 1 . 1 60 60 ALA CB C 13 19.001 0.014 . 1 . . . . . 80 ALA CB . 53587 1 642 . 1 . 1 60 60 ALA N N 15 124.630 0.020 . 1 . . . . . 80 ALA N . 53587 1 643 . 1 . 1 61 61 LYS H H 1 7.693 0.003 . 1 . . . . . 81 LYS H . 53587 1 644 . 1 . 1 61 61 LYS HA H 1 4.345 0.001 . 1 . . . . . 81 LYS HA . 53587 1 645 . 1 . 1 61 61 LYS HB2 H 1 1.889 0.000 . 1 . . . . . 81 LYS HB2 . 53587 1 646 . 1 . 1 61 61 LYS HG2 H 1 1.460 0.000 . 2 . . . . . 81 LYS HG2 . 53587 1 647 . 1 . 1 61 61 LYS HG3 H 1 1.742 0.003 . 2 . . . . . 81 LYS HG3 . 53587 1 648 . 1 . 1 61 61 LYS C C 13 179.556 0.000 . 1 . . . . . 81 LYS C . 53587 1 649 . 1 . 1 61 61 LYS CA C 13 58.822 0.029 . 1 . . . . . 81 LYS CA . 53587 1 650 . 1 . 1 61 61 LYS CB C 13 32.530 0.061 . 1 . . . . . 81 LYS CB . 53587 1 651 . 1 . 1 61 61 LYS CG C 13 26.394 0.100 . 1 . . . . . 81 LYS CG . 53587 1 652 . 1 . 1 61 61 LYS N N 15 116.449 0.019 . 1 . . . . . 81 LYS N . 53587 1 653 . 1 . 1 62 62 LEU H H 1 7.430 0.002 . 1 . . . . . 82 LEU H . 53587 1 654 . 1 . 1 62 62 LEU HA H 1 4.071 0.000 . 1 . . . . . 82 LEU HA . 53587 1 655 . 1 . 1 62 62 LEU HB2 H 1 1.836 0.001 . 2 . . . . . 82 LEU HB2 . 53587 1 656 . 1 . 1 62 62 LEU HB3 H 1 1.509 0.001 . 2 . . . . . 82 LEU HB3 . 53587 1 657 . 1 . 1 62 62 LEU HD11 H 1 0.870 0.000 . 2 . . . . . 82 LEU HD11 . 53587 1 658 . 1 . 1 62 62 LEU HD12 H 1 0.870 0.000 . 2 . . . . . 82 LEU HD12 . 53587 1 659 . 1 . 1 62 62 LEU HD13 H 1 0.870 0.000 . 2 . . . . . 82 LEU HD13 . 53587 1 660 . 1 . 1 62 62 LEU HD21 H 1 0.868 0.000 . 2 . . . . . 82 LEU HD21 . 53587 1 661 . 1 . 1 62 62 LEU HD22 H 1 0.868 0.000 . 2 . . . . . 82 LEU HD22 . 53587 1 662 . 1 . 1 62 62 LEU HD23 H 1 0.868 0.000 . 2 . . . . . 82 LEU HD23 . 53587 1 663 . 1 . 1 62 62 LEU C C 13 179.911 0.000 . 1 . . . . . 82 LEU C . 53587 1 664 . 1 . 1 62 62 LEU CA C 13 57.947 0.008 . 1 . . . . . 82 LEU CA . 53587 1 665 . 1 . 1 62 62 LEU CB C 13 41.718 0.005 . 1 . . . . . 82 LEU CB . 53587 1 666 . 1 . 1 62 62 LEU CG C 13 27.104 0.000 . 1 . . . . . 82 LEU CG . 53587 1 667 . 1 . 1 62 62 LEU CD1 C 13 24.897 0.028 . 2 . . . . . 82 LEU CD1 . 53587 1 668 . 1 . 1 62 62 LEU CD2 C 13 23.295 0.020 . 2 . . . . . 82 LEU CD2 . 53587 1 669 . 1 . 1 62 62 LEU N N 15 121.872 0.014 . 1 . . . . . 82 LEU N . 53587 1 670 . 1 . 1 63 63 ALA H H 1 7.905 0.004 . 1 . . . . . 83 ALA H . 53587 1 671 . 1 . 1 63 63 ALA HA H 1 4.046 0.001 . 1 . . . . . 83 ALA HA . 53587 1 672 . 1 . 1 63 63 ALA HB1 H 1 1.404 0.000 . 1 . . . . . 83 ALA HB1 . 53587 1 673 . 1 . 1 63 63 ALA HB2 H 1 1.404 0.000 . 1 . . . . . 83 ALA HB2 . 53587 1 674 . 1 . 1 63 63 ALA HB3 H 1 1.404 0.000 . 1 . . . . . 83 ALA HB3 . 53587 1 675 . 1 . 1 63 63 ALA C C 13 180.970 0.000 . 1 . . . . . 83 ALA C . 53587 1 676 . 1 . 1 63 63 ALA CA C 13 54.934 0.007 . 1 . . . . . 83 ALA CA . 53587 1 677 . 1 . 1 63 63 ALA CB C 13 18.834 0.006 . 1 . . . . . 83 ALA CB . 53587 1 678 . 1 . 1 63 63 ALA N N 15 122.648 0.020 . 1 . . . . . 83 ALA N . 53587 1 679 . 1 . 1 64 64 GLY H H 1 8.927 0.002 . 1 . . . . . 84 GLY H . 53587 1 680 . 1 . 1 64 64 GLY HA2 H 1 3.677 0.001 . 2 . . . . . 84 GLY HA2 . 53587 1 681 . 1 . 1 64 64 GLY HA3 H 1 3.947 0.001 . 2 . . . . . 84 GLY HA3 . 53587 1 682 . 1 . 1 64 64 GLY C C 13 175.062 0.000 . 1 . . . . . 84 GLY C . 53587 1 683 . 1 . 1 64 64 GLY CA C 13 46.986 0.017 . 1 . . . . . 84 GLY CA . 53587 1 684 . 1 . 1 64 64 GLY N N 15 108.016 0.025 . 1 . . . . . 84 GLY N . 53587 1 685 . 1 . 1 65 65 GLN H H 1 8.115 0.002 . 1 . . . . . 85 GLN H . 53587 1 686 . 1 . 1 65 65 GLN HA H 1 3.964 0.002 . 1 . . . . . 85 GLN HA . 53587 1 687 . 1 . 1 65 65 GLN HB2 H 1 2.206 0.000 . 2 . . . . . 85 GLN HB2 . 53587 1 688 . 1 . 1 65 65 GLN HB3 H 1 2.265 0.000 . 2 . . . . . 85 GLN HB3 . 53587 1 689 . 1 . 1 65 65 GLN HG2 H 1 2.623 0.000 . 2 . . . . . 85 GLN HG2 . 53587 1 690 . 1 . 1 65 65 GLN HG3 H 1 2.443 0.000 . 2 . . . . . 85 GLN HG3 . 53587 1 691 . 1 . 1 65 65 GLN HE21 H 1 6.812 0.000 . 1 . . . . . 85 GLN HE21 . 53587 1 692 . 1 . 1 65 65 GLN HE22 H 1 7.461 0.000 . 1 . . . . . 85 GLN HE22 . 53587 1 693 . 1 . 1 65 65 GLN C C 13 179.332 0.000 . 1 . . . . . 85 GLN C . 53587 1 694 . 1 . 1 65 65 GLN CA C 13 59.470 0.034 . 1 . . . . . 85 GLN CA . 53587 1 695 . 1 . 1 65 65 GLN CB C 13 28.464 0.041 . 1 . . . . . 85 GLN CB . 53587 1 696 . 1 . 1 65 65 GLN CG C 13 34.016 0.050 . 1 . . . . . 85 GLN CG . 53587 1 697 . 1 . 1 65 65 GLN N N 15 119.914 0.025 . 1 . . . . . 85 GLN N . 53587 1 698 . 1 . 1 65 65 GLN NE2 N 15 111.737 0.001 . 1 . . . . . 85 GLN NE2 . 53587 1 699 . 1 . 1 66 66 LYS H H 1 7.250 0.004 . 1 . . . . . 86 LYS H . 53587 1 700 . 1 . 1 66 66 LYS HA H 1 4.084 0.000 . 1 . . . . . 86 LYS HA . 53587 1 701 . 1 . 1 66 66 LYS HB2 H 1 1.974 0.000 . 2 . . . . . 86 LYS HB2 . 53587 1 702 . 1 . 1 66 66 LYS HB3 H 1 1.889 0.000 . 2 . . . . . 86 LYS HB3 . 53587 1 703 . 1 . 1 66 66 LYS C C 13 178.738 0.000 . 1 . . . . . 86 LYS C . 53587 1 704 . 1 . 1 66 66 LYS CA C 13 59.290 0.006 . 1 . . . . . 86 LYS CA . 53587 1 705 . 1 . 1 66 66 LYS CB C 13 32.464 0.017 . 1 . . . . . 86 LYS CB . 53587 1 706 . 1 . 1 66 66 LYS CG C 13 25.171 0.000 . 1 . . . . . 86 LYS CG . 53587 1 707 . 1 . 1 66 66 LYS CD C 13 26.914 0.000 . 1 . . . . . 86 LYS CD . 53587 1 708 . 1 . 1 66 66 LYS N N 15 119.442 0.018 . 1 . . . . . 86 LYS N . 53587 1 709 . 1 . 1 67 67 LEU H H 1 8.498 0.002 . 1 . . . . . 87 LEU H . 53587 1 710 . 1 . 1 67 67 LEU HA H 1 3.882 0.002 . 1 . . . . . 87 LEU HA . 53587 1 711 . 1 . 1 67 67 LEU HB2 H 1 2.040 0.003 . 2 . . . . . 87 LEU HB2 . 53587 1 712 . 1 . 1 67 67 LEU HB3 H 1 1.135 0.002 . 2 . . . . . 87 LEU HB3 . 53587 1 713 . 1 . 1 67 67 LEU HD11 H 1 0.790 0.000 . 2 . . . . . 87 LEU HD11 . 53587 1 714 . 1 . 1 67 67 LEU HD12 H 1 0.790 0.000 . 2 . . . . . 87 LEU HD12 . 53587 1 715 . 1 . 1 67 67 LEU HD13 H 1 0.790 0.000 . 2 . . . . . 87 LEU HD13 . 53587 1 716 . 1 . 1 67 67 LEU HD21 H 1 0.793 0.000 . 2 . . . . . 87 LEU HD21 . 53587 1 717 . 1 . 1 67 67 LEU HD22 H 1 0.793 0.000 . 2 . . . . . 87 LEU HD22 . 53587 1 718 . 1 . 1 67 67 LEU HD23 H 1 0.793 0.000 . 2 . . . . . 87 LEU HD23 . 53587 1 719 . 1 . 1 67 67 LEU C C 13 180.378 0.000 . 1 . . . . . 87 LEU C . 53587 1 720 . 1 . 1 67 67 LEU CA C 13 58.445 0.007 . 1 . . . . . 87 LEU CA . 53587 1 721 . 1 . 1 67 67 LEU CB C 13 41.232 0.003 . 1 . . . . . 87 LEU CB . 53587 1 722 . 1 . 1 67 67 LEU CD1 C 13 22.795 0.000 . 2 . . . . . 87 LEU CD1 . 53587 1 723 . 1 . 1 67 67 LEU CD2 C 13 24.589 0.000 . 2 . . . . . 87 LEU CD2 . 53587 1 724 . 1 . 1 67 67 LEU N N 15 122.231 0.017 . 1 . . . . . 87 LEU N . 53587 1 725 . 1 . 1 68 68 VAL H H 1 8.549 0.002 . 1 . . . . . 88 VAL H . 53587 1 726 . 1 . 1 68 68 VAL HA H 1 3.550 0.001 . 1 . . . . . 88 VAL HA . 53587 1 727 . 1 . 1 68 68 VAL HB H 1 1.941 0.000 . 1 . . . . . 88 VAL HB . 53587 1 728 . 1 . 1 68 68 VAL HG11 H 1 0.664 0.000 . 2 . . . . . 88 VAL HG11 . 53587 1 729 . 1 . 1 68 68 VAL HG12 H 1 0.664 0.000 . 2 . . . . . 88 VAL HG12 . 53587 1 730 . 1 . 1 68 68 VAL HG13 H 1 0.664 0.000 . 2 . . . . . 88 VAL HG13 . 53587 1 731 . 1 . 1 68 68 VAL HG21 H 1 0.760 0.000 . 2 . . . . . 88 VAL HG21 . 53587 1 732 . 1 . 1 68 68 VAL HG22 H 1 0.760 0.000 . 2 . . . . . 88 VAL HG22 . 53587 1 733 . 1 . 1 68 68 VAL HG23 H 1 0.760 0.000 . 2 . . . . . 88 VAL HG23 . 53587 1 734 . 1 . 1 68 68 VAL C C 13 178.777 0.000 . 1 . . . . . 88 VAL C . 53587 1 735 . 1 . 1 68 68 VAL CA C 13 66.210 0.027 . 1 . . . . . 88 VAL CA . 53587 1 736 . 1 . 1 68 68 VAL CB C 13 31.560 0.021 . 1 . . . . . 88 VAL CB . 53587 1 737 . 1 . 1 68 68 VAL CG1 C 13 21.976 0.019 . 2 . . . . . 88 VAL CG1 . 53587 1 738 . 1 . 1 68 68 VAL CG2 C 13 20.660 0.000 . 2 . . . . . 88 VAL CG2 . 53587 1 739 . 1 . 1 68 68 VAL N N 15 118.904 0.015 . 1 . . . . . 88 VAL N . 53587 1 740 . 1 . 1 69 69 ALA H H 1 7.513 0.003 . 1 . . . . . 89 ALA H . 53587 1 741 . 1 . 1 69 69 ALA HA H 1 4.119 0.001 . 1 . . . . . 89 ALA HA . 53587 1 742 . 1 . 1 69 69 ALA HB1 H 1 1.529 0.002 . 1 . . . . . 89 ALA HB1 . 53587 1 743 . 1 . 1 69 69 ALA HB2 H 1 1.529 0.002 . 1 . . . . . 89 ALA HB2 . 53587 1 744 . 1 . 1 69 69 ALA HB3 H 1 1.529 0.002 . 1 . . . . . 89 ALA HB3 . 53587 1 745 . 1 . 1 69 69 ALA C C 13 179.335 0.000 . 1 . . . . . 89 ALA C . 53587 1 746 . 1 . 1 69 69 ALA CA C 13 54.952 0.078 . 1 . . . . . 89 ALA CA . 53587 1 747 . 1 . 1 69 69 ALA CB C 13 18.378 0.029 . 1 . . . . . 89 ALA CB . 53587 1 748 . 1 . 1 69 69 ALA N N 15 121.920 0.012 . 1 . . . . . 89 ALA N . 53587 1 749 . 1 . 1 70 70 ARG H H 1 7.748 0.004 . 1 . . . . . 90 ARG H . 53587 1 750 . 1 . 1 70 70 ARG HA H 1 4.266 0.001 . 1 . . . . . 90 ARG HA . 53587 1 751 . 1 . 1 70 70 ARG HB2 H 1 1.882 0.006 . 1 . . . . . 90 ARG HB2 . 53587 1 752 . 1 . 1 70 70 ARG C C 13 175.981 0.000 . 1 . . . . . 90 ARG C . 53587 1 753 . 1 . 1 70 70 ARG CA C 13 55.790 0.066 . 1 . . . . . 90 ARG CA . 53587 1 754 . 1 . 1 70 70 ARG CB C 13 30.319 0.022 . 1 . . . . . 90 ARG CB . 53587 1 755 . 1 . 1 70 70 ARG CG C 13 26.842 0.000 . 1 . . . . . 90 ARG CG . 53587 1 756 . 1 . 1 70 70 ARG N N 15 114.439 0.017 . 1 . . . . . 90 ARG N . 53587 1 757 . 1 . 1 71 71 ALA H H 1 7.005 0.002 . 1 . . . . . 91 ALA H . 53587 1 758 . 1 . 1 71 71 ALA HA H 1 4.155 0.002 . 1 . . . . . 91 ALA HA . 53587 1 759 . 1 . 1 71 71 ALA HB1 H 1 1.350 0.001 . 1 . . . . . 91 ALA HB1 . 53587 1 760 . 1 . 1 71 71 ALA HB2 H 1 1.350 0.001 . 1 . . . . . 91 ALA HB2 . 53587 1 761 . 1 . 1 71 71 ALA HB3 H 1 1.350 0.001 . 1 . . . . . 91 ALA HB3 . 53587 1 762 . 1 . 1 71 71 ALA C C 13 177.014 0.000 . 1 . . . . . 91 ALA C . 53587 1 763 . 1 . 1 71 71 ALA CA C 13 53.270 0.018 . 1 . . . . . 91 ALA CA . 53587 1 764 . 1 . 1 71 71 ALA CB C 13 19.230 0.014 . 1 . . . . . 91 ALA CB . 53587 1 765 . 1 . 1 71 71 ALA N N 15 124.099 0.019 . 1 . . . . . 91 ALA N . 53587 1 766 . 1 . 1 72 72 LYS H H 1 8.050 0.002 . 1 . . . . . 92 LYS H . 53587 1 767 . 1 . 1 72 72 LYS HA H 1 4.391 0.000 . 1 . . . . . 92 LYS HA . 53587 1 768 . 1 . 1 72 72 LYS HB2 H 1 1.435 0.001 . 2 . . . . . 92 LYS HB2 . 53587 1 769 . 1 . 1 72 72 LYS HB3 H 1 1.870 0.000 . 2 . . . . . 92 LYS HB3 . 53587 1 770 . 1 . 1 72 72 LYS HG2 H 1 1.669 0.000 . 1 . . . . . 92 LYS HG2 . 53587 1 771 . 1 . 1 72 72 LYS CA C 13 54.352 0.022 . 1 . . . . . 92 LYS CA . 53587 1 772 . 1 . 1 72 72 LYS CB C 13 31.753 0.007 . 1 . . . . . 92 LYS CB . 53587 1 773 . 1 . 1 72 72 LYS N N 15 124.783 0.033 . 1 . . . . . 92 LYS N . 53587 1 774 . 1 . 1 73 73 PRO HA H 1 3.868 0.000 . 1 . . . . . 93 PRO HA . 53587 1 775 . 1 . 1 73 73 PRO HB2 H 1 2.251 0.000 . 2 . . . . . 93 PRO HB2 . 53587 1 776 . 1 . 1 73 73 PRO HB3 H 1 1.806 0.000 . 2 . . . . . 93 PRO HB3 . 53587 1 777 . 1 . 1 73 73 PRO HG2 H 1 1.944 0.000 . 2 . . . . . 93 PRO HG2 . 53587 1 778 . 1 . 1 73 73 PRO HG3 H 1 2.144 0.000 . 2 . . . . . 93 PRO HG3 . 53587 1 779 . 1 . 1 73 73 PRO HD2 H 1 3.826 0.000 . 2 . . . . . 93 PRO HD2 . 53587 1 780 . 1 . 1 73 73 PRO HD3 H 1 3.535 0.000 . 2 . . . . . 93 PRO HD3 . 53587 1 781 . 1 . 1 73 73 PRO C C 13 177.421 0.000 . 1 . . . . . 93 PRO C . 53587 1 782 . 1 . 1 73 73 PRO CA C 13 64.079 0.020 . 1 . . . . . 93 PRO CA . 53587 1 783 . 1 . 1 73 73 PRO CB C 13 31.392 0.079 . 1 . . . . . 93 PRO CB . 53587 1 784 . 1 . 1 73 73 PRO CG C 13 28.216 0.010 . 1 . . . . . 93 PRO CG . 53587 1 785 . 1 . 1 73 73 PRO CD C 13 50.110 0.008 . 1 . . . . . 93 PRO CD . 53587 1 786 . 1 . 1 74 74 GLY H H 1 9.165 0.003 . 1 . . . . . 94 GLY H . 53587 1 787 . 1 . 1 74 74 GLY HA2 H 1 4.429 0.002 . 2 . . . . . 94 GLY HA2 . 53587 1 788 . 1 . 1 74 74 GLY HA3 H 1 3.411 0.003 . 2 . . . . . 94 GLY HA3 . 53587 1 789 . 1 . 1 74 74 GLY C C 13 174.322 0.000 . 1 . . . . . 94 GLY C . 53587 1 790 . 1 . 1 74 74 GLY CA C 13 44.697 0.026 . 1 . . . . . 94 GLY CA . 53587 1 791 . 1 . 1 74 74 GLY N N 15 113.823 0.044 . 1 . . . . . 94 GLY N . 53587 1 792 . 1 . 1 75 75 GLU H H 1 8.138 0.002 . 1 . . . . . 95 GLU H . 53587 1 793 . 1 . 1 75 75 GLU HA H 1 4.316 0.000 . 1 . . . . . 95 GLU HA . 53587 1 794 . 1 . 1 75 75 GLU HB2 H 1 2.338 0.000 . 1 . . . . . 95 GLU HB2 . 53587 1 795 . 1 . 1 75 75 GLU HG2 H 1 2.323 0.000 . 2 . . . . . 95 GLU HG2 . 53587 1 796 . 1 . 1 75 75 GLU HG3 H 1 2.052 0.000 . 2 . . . . . 95 GLU HG3 . 53587 1 797 . 1 . 1 75 75 GLU C C 13 175.491 0.000 . 1 . . . . . 95 GLU C . 53587 1 798 . 1 . 1 75 75 GLU CA C 13 56.505 0.059 . 1 . . . . . 95 GLU CA . 53587 1 799 . 1 . 1 75 75 GLU CB C 13 29.757 0.031 . 1 . . . . . 95 GLU CB . 53587 1 800 . 1 . 1 75 75 GLU CG C 13 38.361 0.052 . 1 . . . . . 95 GLU CG . 53587 1 801 . 1 . 1 75 75 GLU N N 15 121.798 0.016 . 1 . . . . . 95 GLU N . 53587 1 802 . 1 . 1 76 76 TYR H H 1 9.204 0.002 . 1 . . . . . 96 TYR H . 53587 1 803 . 1 . 1 76 76 TYR HA H 1 5.218 0.002 . 1 . . . . . 96 TYR HA . 53587 1 804 . 1 . 1 76 76 TYR HB2 H 1 2.830 0.008 . 2 . . . . . 96 TYR HB2 . 53587 1 805 . 1 . 1 76 76 TYR HB3 H 1 2.881 0.000 . 2 . . . . . 96 TYR HB3 . 53587 1 806 . 1 . 1 76 76 TYR C C 13 177.242 0.000 . 1 . . . . . 96 TYR C . 53587 1 807 . 1 . 1 76 76 TYR CA C 13 59.350 0.023 . 1 . . . . . 96 TYR CA . 53587 1 808 . 1 . 1 76 76 TYR CB C 13 40.976 0.025 . 1 . . . . . 96 TYR CB . 53587 1 809 . 1 . 1 76 76 TYR N N 15 119.892 0.015 . 1 . . . . . 96 TYR N . 53587 1 810 . 1 . 1 77 77 VAL H H 1 9.442 0.004 . 1 . . . . . 97 VAL H . 53587 1 811 . 1 . 1 77 77 VAL HA H 1 5.613 0.002 . 1 . . . . . 97 VAL HA . 53587 1 812 . 1 . 1 77 77 VAL HB H 1 2.042 0.000 . 1 . . . . . 97 VAL HB . 53587 1 813 . 1 . 1 77 77 VAL HG11 H 1 0.770 0.000 . 2 . . . . . 97 VAL HG11 . 53587 1 814 . 1 . 1 77 77 VAL HG12 H 1 0.770 0.000 . 2 . . . . . 97 VAL HG12 . 53587 1 815 . 1 . 1 77 77 VAL HG13 H 1 0.770 0.000 . 2 . . . . . 97 VAL HG13 . 53587 1 816 . 1 . 1 77 77 VAL HG21 H 1 0.986 0.000 . 2 . . . . . 97 VAL HG21 . 53587 1 817 . 1 . 1 77 77 VAL HG22 H 1 0.986 0.000 . 2 . . . . . 97 VAL HG22 . 53587 1 818 . 1 . 1 77 77 VAL HG23 H 1 0.986 0.000 . 2 . . . . . 97 VAL HG23 . 53587 1 819 . 1 . 1 77 77 VAL C C 13 173.761 0.000 . 1 . . . . . 97 VAL C . 53587 1 820 . 1 . 1 77 77 VAL CA C 13 58.790 0.016 . 1 . . . . . 97 VAL CA . 53587 1 821 . 1 . 1 77 77 VAL CB C 13 36.437 0.088 . 1 . . . . . 97 VAL CB . 53587 1 822 . 1 . 1 77 77 VAL CG1 C 13 18.003 0.006 . 2 . . . . . 97 VAL CG1 . 53587 1 823 . 1 . 1 77 77 VAL CG2 C 13 23.248 0.095 . 2 . . . . . 97 VAL CG2 . 53587 1 824 . 1 . 1 77 77 VAL N N 15 115.624 0.015 . 1 . . . . . 97 VAL N . 53587 1 825 . 1 . 1 78 78 GLN H H 1 7.890 0.003 . 1 . . . . . 98 GLN H . 53587 1 826 . 1 . 1 78 78 GLN HA H 1 4.204 0.001 . 1 . . . . . 98 GLN HA . 53587 1 827 . 1 . 1 78 78 GLN HB2 H 1 1.352 0.000 . 1 . . . . . 98 GLN HB2 . 53587 1 828 . 1 . 1 78 78 GLN HG2 H 1 1.813 0.000 . 2 . . . . . 98 GLN HG2 . 53587 1 829 . 1 . 1 78 78 GLN HG3 H 1 0.934 0.000 . 2 . . . . . 98 GLN HG3 . 53587 1 830 . 1 . 1 78 78 GLN HE21 H 1 6.583 0.000 . 1 . . . . . 98 GLN HE21 . 53587 1 831 . 1 . 1 78 78 GLN HE22 H 1 6.201 0.000 . 1 . . . . . 98 GLN HE22 . 53587 1 832 . 1 . 1 78 78 GLN C C 13 175.824 0.000 . 1 . . . . . 98 GLN C . 53587 1 833 . 1 . 1 78 78 GLN CA C 13 54.428 0.010 . 1 . . . . . 98 GLN CA . 53587 1 834 . 1 . 1 78 78 GLN CB C 13 29.590 0.037 . 1 . . . . . 98 GLN CB . 53587 1 835 . 1 . 1 78 78 GLN CG C 13 33.787 0.031 . 1 . . . . . 98 GLN CG . 53587 1 836 . 1 . 1 78 78 GLN N N 15 123.171 0.077 . 1 . . . . . 98 GLN N . 53587 1 837 . 1 . 1 78 78 GLN NE2 N 15 108.054 0.001 . 1 . . . . . 98 GLN NE2 . 53587 1 838 . 1 . 1 79 79 GLY H H 1 8.099 0.002 . 1 . . . . . 99 GLY H . 53587 1 839 . 1 . 1 79 79 GLY HA2 H 1 4.374 0.002 . 2 . . . . . 99 GLY HA2 . 53587 1 840 . 1 . 1 79 79 GLY HA3 H 1 3.733 0.001 . 2 . . . . . 99 GLY HA3 . 53587 1 841 . 1 . 1 79 79 GLY C C 13 174.651 0.000 . 1 . . . . . 99 GLY C . 53587 1 842 . 1 . 1 79 79 GLY CA C 13 44.012 0.010 . 1 . . . . . 99 GLY CA . 53587 1 843 . 1 . 1 79 79 GLY N N 15 112.377 0.026 . 1 . . . . . 99 GLY N . 53587 1 844 . 1 . 1 80 80 ILE H H 1 8.216 0.002 . 1 . . . . . 100 ILE H . 53587 1 845 . 1 . 1 80 80 ILE HA H 1 3.082 0.001 . 1 . . . . . 100 ILE HA . 53587 1 846 . 1 . 1 80 80 ILE HB H 1 1.469 0.000 . 1 . . . . . 100 ILE HB . 53587 1 847 . 1 . 1 80 80 ILE HG12 H 1 1.157 0.000 . 2 . . . . . 100 ILE HG12 . 53587 1 848 . 1 . 1 80 80 ILE HG13 H 1 0.994 0.000 . 2 . . . . . 100 ILE HG13 . 53587 1 849 . 1 . 1 80 80 ILE HG21 H 1 0.692 0.000 . 1 . . . . . 100 ILE HG21 . 53587 1 850 . 1 . 1 80 80 ILE HG22 H 1 0.692 0.000 . 1 . . . . . 100 ILE HG22 . 53587 1 851 . 1 . 1 80 80 ILE HG23 H 1 0.692 0.000 . 1 . . . . . 100 ILE HG23 . 53587 1 852 . 1 . 1 80 80 ILE HD11 H 1 0.708 0.000 . 1 . . . . . 100 ILE HD11 . 53587 1 853 . 1 . 1 80 80 ILE HD12 H 1 0.708 0.000 . 1 . . . . . 100 ILE HD12 . 53587 1 854 . 1 . 1 80 80 ILE HD13 H 1 0.708 0.000 . 1 . . . . . 100 ILE HD13 . 53587 1 855 . 1 . 1 80 80 ILE C C 13 176.297 0.000 . 1 . . . . . 100 ILE C . 53587 1 856 . 1 . 1 80 80 ILE CA C 13 63.195 0.002 . 1 . . . . . 100 ILE CA . 53587 1 857 . 1 . 1 80 80 ILE CB C 13 37.952 0.159 . 1 . . . . . 100 ILE CB . 53587 1 858 . 1 . 1 80 80 ILE CG1 C 13 27.614 0.002 . 1 . . . . . 100 ILE CG1 . 53587 1 859 . 1 . 1 80 80 ILE CG2 C 13 17.047 0.000 . 1 . . . . . 100 ILE CG2 . 53587 1 860 . 1 . 1 80 80 ILE CD1 C 13 13.647 0.000 . 1 . . . . . 100 ILE CD1 . 53587 1 861 . 1 . 1 80 80 ILE N N 15 118.319 0.024 . 1 . . . . . 100 ILE N . 53587 1 862 . 1 . 1 81 81 ASN H H 1 8.047 0.004 . 1 . . . . . 101 ASN H . 53587 1 863 . 1 . 1 81 81 ASN HA H 1 4.446 0.001 . 1 . . . . . 101 ASN HA . 53587 1 864 . 1 . 1 81 81 ASN HB2 H 1 3.145 0.000 . 2 . . . . . 101 ASN HB2 . 53587 1 865 . 1 . 1 81 81 ASN HB3 H 1 2.835 0.002 . 2 . . . . . 101 ASN HB3 . 53587 1 866 . 1 . 1 81 81 ASN HD21 H 1 6.997 0.000 . 1 . . . . . 101 ASN HD21 . 53587 1 867 . 1 . 1 81 81 ASN HD22 H 1 7.703 0.000 . 1 . . . . . 101 ASN HD22 . 53587 1 868 . 1 . 1 81 81 ASN C C 13 176.396 0.000 . 1 . . . . . 101 ASN C . 53587 1 869 . 1 . 1 81 81 ASN CA C 13 52.774 0.028 . 1 . . . . . 101 ASN CA . 53587 1 870 . 1 . 1 81 81 ASN CB C 13 36.991 0.029 . 1 . . . . . 101 ASN CB . 53587 1 871 . 1 . 1 81 81 ASN N N 15 118.288 0.029 . 1 . . . . . 101 ASN N . 53587 1 872 . 1 . 1 81 81 ASN ND2 N 15 111.514 0.001 . 1 . . . . . 101 ASN ND2 . 53587 1 873 . 1 . 1 82 82 GLY H H 1 8.422 0.003 . 1 . . . . . 102 GLY H . 53587 1 874 . 1 . 1 82 82 GLY HA2 H 1 4.138 0.002 . 2 . . . . . 102 GLY HA2 . 53587 1 875 . 1 . 1 82 82 GLY HA3 H 1 3.550 0.001 . 2 . . . . . 102 GLY HA3 . 53587 1 876 . 1 . 1 82 82 GLY C C 13 174.020 0.000 . 1 . . . . . 102 GLY C . 53587 1 877 . 1 . 1 82 82 GLY CA C 13 45.437 0.014 . 1 . . . . . 102 GLY CA . 53587 1 878 . 1 . 1 82 82 GLY N N 15 108.106 0.010 . 1 . . . . . 102 GLY N . 53587 1 879 . 1 . 1 83 83 LYS H H 1 7.417 0.002 . 1 . . . . . 103 LYS H . 53587 1 880 . 1 . 1 83 83 LYS HA H 1 4.440 0.000 . 1 . . . . . 103 LYS HA . 53587 1 881 . 1 . 1 83 83 LYS HB2 H 1 1.684 0.000 . 2 . . . . . 103 LYS HB2 . 53587 1 882 . 1 . 1 83 83 LYS HB3 H 1 1.791 0.001 . 2 . . . . . 103 LYS HB3 . 53587 1 883 . 1 . 1 83 83 LYS HG2 H 1 1.320 0.000 . 1 . . . . . 103 LYS HG2 . 53587 1 884 . 1 . 1 83 83 LYS C C 13 176.595 0.000 . 1 . . . . . 103 LYS C . 53587 1 885 . 1 . 1 83 83 LYS CA C 13 55.191 0.017 . 1 . . . . . 103 LYS CA . 53587 1 886 . 1 . 1 83 83 LYS CB C 13 33.003 0.048 . 1 . . . . . 103 LYS CB . 53587 1 887 . 1 . 1 83 83 LYS CG C 13 24.847 0.004 . 1 . . . . . 103 LYS CG . 53587 1 888 . 1 . 1 83 83 LYS N N 15 120.625 0.017 . 1 . . . . . 103 LYS N . 53587 1 889 . 1 . 1 84 84 TRP H H 1 8.881 0.003 . 1 . . . . . 104 TRP H . 53587 1 890 . 1 . 1 84 84 TRP HA H 1 4.938 0.000 . 1 . . . . . 104 TRP HA . 53587 1 891 . 1 . 1 84 84 TRP HB2 H 1 3.181 0.001 . 2 . . . . . 104 TRP HB2 . 53587 1 892 . 1 . 1 84 84 TRP HB3 H 1 3.120 0.004 . 2 . . . . . 104 TRP HB3 . 53587 1 893 . 1 . 1 84 84 TRP HD1 H 1 7.342 0.000 . 1 . . . . . 104 TRP HD1 . 53587 1 894 . 1 . 1 84 84 TRP HE1 H 1 10.216 0.004 . 1 . . . . . 104 TRP HE1 . 53587 1 895 . 1 . 1 84 84 TRP HZ2 H 1 7.115 0.000 . 1 . . . . . 104 TRP HZ2 . 53587 1 896 . 1 . 1 84 84 TRP C C 13 176.821 0.000 . 1 . . . . . 104 TRP C . 53587 1 897 . 1 . 1 84 84 TRP CA C 13 58.093 0.006 . 1 . . . . . 104 TRP CA . 53587 1 898 . 1 . 1 84 84 TRP CB C 13 30.048 0.006 . 1 . . . . . 104 TRP CB . 53587 1 899 . 1 . 1 84 84 TRP N N 15 125.502 0.020 . 1 . . . . . 104 TRP N . 53587 1 900 . 1 . 1 84 84 TRP NE1 N 15 129.059 0.036 . 1 . . . . . 104 TRP NE1 . 53587 1 901 . 1 . 1 85 85 VAL H H 1 9.581 0.002 . 1 . . . . . 105 VAL H . 53587 1 902 . 1 . 1 85 85 VAL HA H 1 4.692 0.002 . 1 . . . . . 105 VAL HA . 53587 1 903 . 1 . 1 85 85 VAL HB H 1 2.142 0.002 . 1 . . . . . 105 VAL HB . 53587 1 904 . 1 . 1 85 85 VAL HG11 H 1 0.887 0.017 . 2 . . . . . 105 VAL HG11 . 53587 1 905 . 1 . 1 85 85 VAL HG12 H 1 0.887 0.017 . 2 . . . . . 105 VAL HG12 . 53587 1 906 . 1 . 1 85 85 VAL HG13 H 1 0.887 0.017 . 2 . . . . . 105 VAL HG13 . 53587 1 907 . 1 . 1 85 85 VAL HG21 H 1 0.910 0.006 . 2 . . . . . 105 VAL HG21 . 53587 1 908 . 1 . 1 85 85 VAL HG22 H 1 0.910 0.006 . 2 . . . . . 105 VAL HG22 . 53587 1 909 . 1 . 1 85 85 VAL HG23 H 1 0.910 0.006 . 2 . . . . . 105 VAL HG23 . 53587 1 910 . 1 . 1 85 85 VAL C C 13 173.594 0.000 . 1 . . . . . 105 VAL C . 53587 1 911 . 1 . 1 85 85 VAL CA C 13 59.961 0.006 . 1 . . . . . 105 VAL CA . 53587 1 912 . 1 . 1 85 85 VAL CB C 13 35.975 0.020 . 1 . . . . . 105 VAL CB . 53587 1 913 . 1 . 1 85 85 VAL CG1 C 13 19.711 0.072 . 2 . . . . . 105 VAL CG1 . 53587 1 914 . 1 . 1 85 85 VAL CG2 C 13 21.271 0.066 . 2 . . . . . 105 VAL CG2 . 53587 1 915 . 1 . 1 85 85 VAL N N 15 122.400 0.022 . 1 . . . . . 105 VAL N . 53587 1 916 . 1 . 1 86 86 ARG H H 1 8.328 0.004 . 1 . . . . . 106 ARG H . 53587 1 917 . 1 . 1 86 86 ARG HA H 1 4.129 0.009 . 1 . . . . . 106 ARG HA . 53587 1 918 . 1 . 1 86 86 ARG HB2 H 1 1.386 0.002 . 2 . . . . . 106 ARG HB2 . 53587 1 919 . 1 . 1 86 86 ARG HB3 H 1 1.263 0.000 . 2 . . . . . 106 ARG HB3 . 53587 1 920 . 1 . 1 86 86 ARG HG2 H 1 0.793 0.000 . 2 . . . . . 106 ARG HG2 . 53587 1 921 . 1 . 1 86 86 ARG HG3 H 1 0.678 0.000 . 2 . . . . . 106 ARG HG3 . 53587 1 922 . 1 . 1 86 86 ARG C C 13 176.422 0.000 . 1 . . . . . 106 ARG C . 53587 1 923 . 1 . 1 86 86 ARG CA C 13 55.067 0.009 . 1 . . . . . 106 ARG CA . 53587 1 924 . 1 . 1 86 86 ARG CB C 13 30.952 0.019 . 1 . . . . . 106 ARG CB . 53587 1 925 . 1 . 1 86 86 ARG CG C 13 27.383 0.002 . 1 . . . . . 106 ARG CG . 53587 1 926 . 1 . 1 86 86 ARG N N 15 123.552 0.008 . 1 . . . . . 106 ARG N . 53587 1 927 . 1 . 1 87 87 LYS H H 1 8.824 0.002 . 1 . . . . . 107 LYS H . 53587 1 928 . 1 . 1 87 87 LYS HA H 1 4.007 0.003 . 1 . . . . . 107 LYS HA . 53587 1 929 . 1 . 1 87 87 LYS HB2 H 1 1.669 0.000 . 2 . . . . . 107 LYS HB2 . 53587 1 930 . 1 . 1 87 87 LYS HB3 H 1 1.925 0.000 . 2 . . . . . 107 LYS HB3 . 53587 1 931 . 1 . 1 87 87 LYS HG2 H 1 1.266 0.001 . 1 . . . . . 107 LYS HG2 . 53587 1 932 . 1 . 1 87 87 LYS C C 13 175.795 0.000 . 1 . . . . . 107 LYS C . 53587 1 933 . 1 . 1 87 87 LYS CA C 13 56.670 0.004 . 1 . . . . . 107 LYS CA . 53587 1 934 . 1 . 1 87 87 LYS CB C 13 32.134 0.034 . 1 . . . . . 107 LYS CB . 53587 1 935 . 1 . 1 87 87 LYS CG C 13 24.322 0.049 . 1 . . . . . 107 LYS CG . 53587 1 936 . 1 . 1 87 87 LYS N N 15 127.447 0.016 . 1 . . . . . 107 LYS N . 53587 1 937 . 1 . 1 88 88 PHE H H 1 7.923 0.004 . 1 . . . . . 108 PHE H . 53587 1 938 . 1 . 1 88 88 PHE HA H 1 4.477 0.000 . 1 . . . . . 108 PHE HA . 53587 1 939 . 1 . 1 88 88 PHE HB2 H 1 3.050 0.000 . 1 . . . . . 108 PHE HB2 . 53587 1 940 . 1 . 1 88 88 PHE HB3 H 1 3.050 0.000 . 1 . . . . . 108 PHE HB3 . 53587 1 941 . 1 . 1 88 88 PHE CA C 13 59.273 0.008 . 1 . . . . . 108 PHE CA . 53587 1 942 . 1 . 1 88 88 PHE CB C 13 41.048 0.007 . 1 . . . . . 108 PHE CB . 53587 1 943 . 1 . 1 88 88 PHE N N 15 131.117 0.021 . 1 . . . . . 108 PHE N . 53587 1 stop_ save_