################################### # 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_MCFD2_H2O_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode MCFD2_H2O_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 15789 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_H2O_D2O_samples _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 'Errors for each shift (from CCPN analysis) are given in the deposited file.' _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' . . . 15789 1 2 '2D 1H-13C HSQC' . . . 15789 1 3 '3D CBCA(CO)NH' . . . 15789 1 4 '3D CBCANH' . . . 15789 1 5 '3D HNCO' . . . 15789 1 6 '3D HCCH-COSY' . . . 15789 1 7 '3D 1H-15N TOCSY' . . . 15789 1 8 '3D 1H-15N NOESY' . . . 15789 1 9 (HB)CB(CGCDCE)HE . . . 15789 1 10 '3D 13C-edited NOESY' . . . 15789 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 . . 15789 1 2 $CcpNMR_Analysis . . 15789 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 8 8 ALA H H 1 8.326 0.006 . 1 . . . . 30 ALA H . 15789 1 2 . 1 1 8 8 ALA HB1 H 1 1.368 0.000 . 1 . . . . 30 ALA HB1 . 15789 1 3 . 1 1 8 8 ALA HB2 H 1 1.368 0.000 . 1 . . . . 30 ALA HB2 . 15789 1 4 . 1 1 8 8 ALA HB3 H 1 1.368 0.000 . 1 . . . . 30 ALA HB3 . 15789 1 5 . 1 1 8 8 ALA C C 13 176.669 0.000 . 1 . . . . 30 ALA C . 15789 1 6 . 1 1 8 8 ALA N N 15 124.074 0.023 . 1 . . . . 30 ALA N . 15789 1 7 . 1 1 9 9 ALA H H 1 8.199 0.006 . 1 . . . . 31 ALA H . 15789 1 8 . 1 1 9 9 ALA HA H 1 4.248 0.012 . 1 . . . . 31 ALA HA . 15789 1 9 . 1 1 9 9 ALA HB1 H 1 1.324 0.006 . 1 . . . . 31 ALA HB1 . 15789 1 10 . 1 1 9 9 ALA HB2 H 1 1.324 0.006 . 1 . . . . 31 ALA HB2 . 15789 1 11 . 1 1 9 9 ALA HB3 H 1 1.324 0.006 . 1 . . . . 31 ALA HB3 . 15789 1 12 . 1 1 9 9 ALA C C 13 177.631 0.000 . 1 . . . . 31 ALA C . 15789 1 13 . 1 1 9 9 ALA CA C 13 52.534 0.053 . 1 . . . . 31 ALA CA . 15789 1 14 . 1 1 9 9 ALA CB C 13 19.163 0.079 . 1 . . . . 31 ALA CB . 15789 1 15 . 1 1 9 9 ALA N N 15 123.143 0.037 . 1 . . . . 31 ALA N . 15789 1 16 . 1 1 10 10 SER H H 1 8.090 0.005 . 1 . . . . 32 SER H . 15789 1 17 . 1 1 10 10 SER HA H 1 4.353 0.013 . 1 . . . . 32 SER HA . 15789 1 18 . 1 1 10 10 SER HB2 H 1 3.751 0.006 . 1 . . . . 32 SER HB2 . 15789 1 19 . 1 1 10 10 SER HB3 H 1 3.751 0.006 . 1 . . . . 32 SER HB3 . 15789 1 20 . 1 1 10 10 SER C C 13 177.722 0.000 . 1 . . . . 32 SER C . 15789 1 21 . 1 1 10 10 SER CA C 13 58.296 0.084 . 1 . . . . 32 SER CA . 15789 1 22 . 1 1 10 10 SER CB C 13 63.740 0.035 . 1 . . . . 32 SER CB . 15789 1 23 . 1 1 10 10 SER N N 15 114.500 0.025 . 1 . . . . 32 SER N . 15789 1 24 . 1 1 11 11 PHE H H 1 8.097 0.008 . 1 . . . . 33 PHE H . 15789 1 25 . 1 1 11 11 PHE HA H 1 4.656 0.003 . 1 . . . . 33 PHE HA . 15789 1 26 . 1 1 11 11 PHE HB2 H 1 3.025 0.007 . 2 . . . . 33 PHE HB2 . 15789 1 27 . 1 1 11 11 PHE HB3 H 1 3.147 0.005 . 2 . . . . 33 PHE HB3 . 15789 1 28 . 1 1 11 11 PHE HE1 H 1 7.231 0.005 . 3 . . . . 33 PHE HE1 . 15789 1 29 . 1 1 11 11 PHE HE2 H 1 7.231 0.005 . 3 . . . . 33 PHE HE2 . 15789 1 30 . 1 1 11 11 PHE C C 13 174.159 0.000 . 1 . . . . 33 PHE C . 15789 1 31 . 1 1 11 11 PHE CA C 13 57.707 0.032 . 1 . . . . 33 PHE CA . 15789 1 32 . 1 1 11 11 PHE CB C 13 39.617 0.054 . 1 . . . . 33 PHE CB . 15789 1 33 . 1 1 11 11 PHE CE1 C 13 131.928 0.003 . 3 . . . . 33 PHE CE1 . 15789 1 34 . 1 1 11 11 PHE CE2 C 13 131.928 0.003 . 3 . . . . 33 PHE CE2 . 15789 1 35 . 1 1 11 11 PHE N N 15 121.690 0.011 . 1 . . . . 33 PHE N . 15789 1 36 . 1 1 12 12 SER H H 1 8.083 0.004 . 1 . . . . 34 SER H . 15789 1 37 . 1 1 12 12 SER HA H 1 4.393 0.014 . 1 . . . . 34 SER HA . 15789 1 38 . 1 1 12 12 SER HB2 H 1 3.749 0.002 . 1 . . . . 34 SER HB2 . 15789 1 39 . 1 1 12 12 SER HB3 H 1 3.758 0.007 . 1 . . . . 34 SER HB3 . 15789 1 40 . 1 1 12 12 SER C C 13 175.511 0.000 . 1 . . . . 34 SER C . 15789 1 41 . 1 1 12 12 SER CA C 13 58.063 0.075 . 1 . . . . 34 SER CA . 15789 1 42 . 1 1 12 12 SER CB C 13 63.823 0.120 . 1 . . . . 34 SER CB . 15789 1 43 . 1 1 12 12 SER N N 15 117.255 0.019 . 1 . . . . 34 SER N . 15789 1 44 . 1 1 13 13 GLN H H 1 8.245 0.007 . 1 . . . . 35 GLN H . 15789 1 45 . 1 1 13 13 GLN HA H 1 4.589 0.009 . 1 . . . . 35 GLN HA . 15789 1 46 . 1 1 13 13 GLN HB2 H 1 1.919 0.004 . 2 . . . . 35 GLN HB2 . 15789 1 47 . 1 1 13 13 GLN HB3 H 1 2.077 0.006 . 2 . . . . 35 GLN HB3 . 15789 1 48 . 1 1 13 13 GLN HG2 H 1 2.361 0.005 . 1 . . . . 35 GLN HG2 . 15789 1 49 . 1 1 13 13 GLN HG3 H 1 2.360 0.006 . 1 . . . . 35 GLN HG3 . 15789 1 50 . 1 1 13 13 GLN C C 13 173.690 0.000 . 1 . . . . 35 GLN C . 15789 1 51 . 1 1 13 13 GLN CB C 13 28.854 0.084 . 1 . . . . 35 GLN CB . 15789 1 52 . 1 1 13 13 GLN CG C 13 33.465 0.000 . 1 . . . . 35 GLN CG . 15789 1 53 . 1 1 13 13 GLN N N 15 122.888 0.041 . 1 . . . . 35 GLN N . 15789 1 54 . 1 1 14 14 PRO HA H 1 4.396 0.006 . 1 . . . . 36 PRO HA . 15789 1 55 . 1 1 14 14 PRO HB3 H 1 2.297 0.012 . 1 . . . . 36 PRO HB3 . 15789 1 56 . 1 1 14 14 PRO HD2 H 1 3.680 0.000 . 2 . . . . 36 PRO HD2 . 15789 1 57 . 1 1 14 14 PRO HD3 H 1 3.788 0.000 . 2 . . . . 36 PRO HD3 . 15789 1 58 . 1 1 14 14 PRO HG2 H 1 1.998 0.000 . 1 . . . . 36 PRO HG2 . 15789 1 59 . 1 1 14 14 PRO HG3 H 1 1.996 0.000 . 1 . . . . 36 PRO HG3 . 15789 1 60 . 1 1 14 14 PRO CA C 13 63.696 0.018 . 1 . . . . 36 PRO CA . 15789 1 61 . 1 1 14 14 PRO CB C 13 32.138 0.088 . 1 . . . . 36 PRO CB . 15789 1 62 . 1 1 14 14 PRO CD C 13 50.633 0.004 . 1 . . . . 36 PRO CD . 15789 1 63 . 1 1 14 14 PRO CG C 13 27.414 0.000 . 1 . . . . 36 PRO CG . 15789 1 64 . 1 1 15 15 GLY H H 1 8.511 0.009 . 1 . . . . 37 GLY H . 15789 1 65 . 1 1 15 15 GLY HA2 H 1 3.931 0.018 . 1 . . . . 37 GLY HA2 . 15789 1 66 . 1 1 15 15 GLY HA3 H 1 3.946 0.013 . 1 . . . . 37 GLY HA3 . 15789 1 67 . 1 1 15 15 GLY C C 13 177.594 0.000 . 1 . . . . 37 GLY C . 15789 1 68 . 1 1 15 15 GLY CA C 13 45.413 0.021 . 1 . . . . 37 GLY CA . 15789 1 69 . 1 1 15 15 GLY N N 15 109.495 0.011 . 1 . . . . 37 GLY N . 15789 1 70 . 1 1 16 16 SER HA H 1 4.451 0.010 . 1 . . . . 38 SER HA . 15789 1 71 . 1 1 16 16 SER HB2 H 1 3.889 0.018 . 1 . . . . 38 SER HB2 . 15789 1 72 . 1 1 16 16 SER HB3 H 1 3.883 0.019 . 1 . . . . 38 SER HB3 . 15789 1 73 . 1 1 16 16 SER C C 13 174.418 0.000 . 1 . . . . 38 SER C . 15789 1 74 . 1 1 16 16 SER CA C 13 58.409 0.105 . 1 . . . . 38 SER CA . 15789 1 75 . 1 1 16 16 SER CB C 13 63.792 0.091 . 1 . . . . 38 SER CB . 15789 1 76 . 1 1 17 17 MET HA H 1 4.484 0.021 . 1 . . . . 39 MET HA . 15789 1 77 . 1 1 17 17 MET HB2 H 1 1.999 0.015 . 1 . . . . 39 MET HB2 . 15789 1 78 . 1 1 17 17 MET HB3 H 1 1.998 0.010 . 1 . . . . 39 MET HB3 . 15789 1 79 . 1 1 17 17 MET HG2 H 1 2.531 0.000 . 1 . . . . 39 MET HG2 . 15789 1 80 . 1 1 17 17 MET HG3 H 1 2.531 0.000 . 1 . . . . 39 MET HG3 . 15789 1 81 . 1 1 17 17 MET C C 13 174.784 0.000 . 1 . . . . 39 MET C . 15789 1 82 . 1 1 17 17 MET CA C 13 55.731 0.079 . 1 . . . . 39 MET CA . 15789 1 83 . 1 1 17 17 MET CB C 13 32.711 0.108 . 1 . . . . 39 MET CB . 15789 1 84 . 1 1 17 17 MET N N 15 121.732 0.025 . 1 . . . . 39 MET N . 15789 1 85 . 1 1 18 18 GLY HA2 H 1 3.908 0.005 . 1 . . . . 40 GLY HA2 . 15789 1 86 . 1 1 18 18 GLY HA3 H 1 3.908 0.005 . 1 . . . . 40 GLY HA3 . 15789 1 87 . 1 1 18 18 GLY C C 13 176.581 0.000 . 1 . . . . 40 GLY C . 15789 1 88 . 1 1 18 18 GLY CA C 13 45.512 0.000 . 1 . . . . 40 GLY CA . 15789 1 89 . 1 1 19 19 LEU H H 1 8.029 0.006 . 1 . . . . 41 LEU H . 15789 1 90 . 1 1 19 19 LEU HA H 1 4.305 0.007 . 1 . . . . 41 LEU HA . 15789 1 91 . 1 1 19 19 LEU HB2 H 1 1.569 0.013 . 2 . . . . 41 LEU HB2 . 15789 1 92 . 1 1 19 19 LEU HB3 H 1 1.589 0.016 . 2 . . . . 41 LEU HB3 . 15789 1 93 . 1 1 19 19 LEU HD11 H 1 0.832 0.005 . 1 . . . . 41 LEU HD11 . 15789 1 94 . 1 1 19 19 LEU HD12 H 1 0.832 0.005 . 1 . . . . 41 LEU HD12 . 15789 1 95 . 1 1 19 19 LEU HD13 H 1 0.832 0.005 . 1 . . . . 41 LEU HD13 . 15789 1 96 . 1 1 19 19 LEU HD21 H 1 0.841 0.000 . 1 . . . . 41 LEU HD21 . 15789 1 97 . 1 1 19 19 LEU HD22 H 1 0.841 0.000 . 1 . . . . 41 LEU HD22 . 15789 1 98 . 1 1 19 19 LEU HD23 H 1 0.841 0.000 . 1 . . . . 41 LEU HD23 . 15789 1 99 . 1 1 19 19 LEU C C 13 174.076 0.000 . 1 . . . . 41 LEU C . 15789 1 100 . 1 1 19 19 LEU CA C 13 55.220 0.007 . 1 . . . . 41 LEU CA . 15789 1 101 . 1 1 19 19 LEU CB C 13 42.382 0.059 . 1 . . . . 41 LEU CB . 15789 1 102 . 1 1 19 19 LEU CD1 C 13 20.988 0.034 . 1 . . . . 41 LEU CD1 . 15789 1 103 . 1 1 19 19 LEU N N 15 121.430 0.023 . 1 . . . . 41 LEU N . 15789 1 104 . 1 1 20 20 ASP H H 1 8.344 0.003 . 1 . . . . 42 ASP H . 15789 1 105 . 1 1 20 20 ASP HA H 1 4.555 0.005 . 1 . . . . 42 ASP HA . 15789 1 106 . 1 1 20 20 ASP HB2 H 1 2.660 0.025 . 1 . . . . 42 ASP HB2 . 15789 1 107 . 1 1 20 20 ASP C C 13 177.081 0.000 . 1 . . . . 42 ASP C . 15789 1 108 . 1 1 20 20 ASP CA C 13 54.345 0.092 . 1 . . . . 42 ASP CA . 15789 1 109 . 1 1 20 20 ASP CB C 13 41.073 0.048 . 1 . . . . 42 ASP CB . 15789 1 110 . 1 1 20 20 ASP N N 15 120.904 0.026 . 1 . . . . 42 ASP N . 15789 1 111 . 1 1 22 22 ASN H H 1 8.441 0.005 . 1 . . . . 44 ASN H . 15789 1 112 . 1 1 22 22 ASN HA H 1 4.704 0.041 . 1 . . . . 44 ASN HA . 15789 1 113 . 1 1 22 22 ASN HB2 H 1 2.599 0.023 . 2 . . . . 44 ASN HB2 . 15789 1 114 . 1 1 22 22 ASN HB3 H 1 2.791 0.016 . 2 . . . . 44 ASN HB3 . 15789 1 115 . 1 1 22 22 ASN HD21 H 1 6.885 0.004 . 1 . . . . 44 ASN HD21 . 15789 1 116 . 1 1 22 22 ASN HD22 H 1 7.647 0.002 . 1 . . . . 44 ASN HD22 . 15789 1 117 . 1 1 22 22 ASN C C 13 176.534 0.000 . 1 . . . . 44 ASN C . 15789 1 118 . 1 1 22 22 ASN CA C 13 53.689 0.032 . 1 . . . . 44 ASN CA . 15789 1 119 . 1 1 22 22 ASN CB C 13 38.854 0.035 . 1 . . . . 44 ASN CB . 15789 1 120 . 1 1 22 22 ASN N N 15 118.933 0.011 . 1 . . . . 44 ASN N . 15789 1 121 . 1 1 22 22 ASN ND2 N 15 113.306 0.005 . 1 . . . . 44 ASN ND2 . 15789 1 122 . 1 1 23 23 THR H H 1 7.989 0.011 . 1 . . . . 45 THR H . 15789 1 123 . 1 1 23 23 THR HA H 1 4.291 0.012 . 1 . . . . 45 THR HA . 15789 1 124 . 1 1 23 23 THR HB H 1 4.181 0.016 . 1 . . . . 45 THR HB . 15789 1 125 . 1 1 23 23 THR HG21 H 1 1.133 0.006 . 1 . . . . 45 THR HG21 . 15789 1 126 . 1 1 23 23 THR HG22 H 1 1.133 0.006 . 1 . . . . 45 THR HG22 . 15789 1 127 . 1 1 23 23 THR HG23 H 1 1.133 0.006 . 1 . . . . 45 THR HG23 . 15789 1 128 . 1 1 23 23 THR C C 13 175.457 0.000 . 1 . . . . 45 THR C . 15789 1 129 . 1 1 23 23 THR CA C 13 62.204 0.064 . 1 . . . . 45 THR CA . 15789 1 130 . 1 1 23 23 THR CB C 13 69.824 0.069 . 1 . . . . 45 THR CB . 15789 1 131 . 1 1 23 23 THR CG2 C 13 21.691 0.037 . 1 . . . . 45 THR CG2 . 15789 1 132 . 1 1 23 23 THR N N 15 114.344 0.017 . 1 . . . . 45 THR N . 15789 1 133 . 1 1 24 24 VAL HA H 1 4.000 0.007 . 1 . . . . 46 VAL HA . 15789 1 134 . 1 1 24 24 VAL HB H 1 1.990 0.006 . 1 . . . . 46 VAL HB . 15789 1 135 . 1 1 24 24 VAL HG11 H 1 0.856 0.013 . 1 . . . . 46 VAL HG11 . 15789 1 136 . 1 1 24 24 VAL HG12 H 1 0.856 0.013 . 1 . . . . 46 VAL HG12 . 15789 1 137 . 1 1 24 24 VAL HG13 H 1 0.856 0.013 . 1 . . . . 46 VAL HG13 . 15789 1 138 . 1 1 24 24 VAL C C 13 174.508 0.000 . 1 . . . . 46 VAL C . 15789 1 139 . 1 1 24 24 VAL CA C 13 62.704 0.076 . 1 . . . . 46 VAL CA . 15789 1 140 . 1 1 24 24 VAL CB C 13 32.503 0.036 . 1 . . . . 46 VAL CB . 15789 1 141 . 1 1 24 24 VAL CG1 C 13 20.725 0.009 . 1 . . . . 46 VAL CG1 . 15789 1 142 . 1 1 24 24 VAL CG2 C 13 20.725 0.009 . 1 . . . . 46 VAL CG2 . 15789 1 143 . 1 1 25 25 HIS H H 1 8.448 0.007 . 1 . . . . 47 HIS H . 15789 1 144 . 1 1 25 25 HIS HA H 1 4.502 0.000 . 1 . . . . 47 HIS HA . 15789 1 145 . 1 1 25 25 HIS HB2 H 1 3.127 0.012 . 2 . . . . 47 HIS HB2 . 15789 1 146 . 1 1 25 25 HIS HB3 H 1 3.237 0.008 . 2 . . . . 47 HIS HB3 . 15789 1 147 . 1 1 25 25 HIS C C 13 175.962 0.000 . 1 . . . . 47 HIS C . 15789 1 148 . 1 1 25 25 HIS CA C 13 55.359 0.006 . 1 . . . . 47 HIS CA . 15789 1 149 . 1 1 25 25 HIS CB C 13 29.274 0.024 . 1 . . . . 47 HIS CB . 15789 1 150 . 1 1 25 25 HIS N N 15 122.014 0.025 . 1 . . . . 47 HIS N . 15789 1 151 . 1 1 26 26 ASP H H 1 8.295 0.005 . 1 . . . . 48 ASP H . 15789 1 152 . 1 1 26 26 ASP HA H 1 4.558 0.006 . 1 . . . . 48 ASP HA . 15789 1 153 . 1 1 26 26 ASP HB2 H 1 2.685 0.022 . 1 . . . . 48 ASP HB2 . 15789 1 154 . 1 1 26 26 ASP HB3 H 1 2.691 0.021 . 1 . . . . 48 ASP HB3 . 15789 1 155 . 1 1 26 26 ASP C C 13 174.368 0.000 . 1 . . . . 48 ASP C . 15789 1 156 . 1 1 26 26 ASP CA C 13 54.579 0.079 . 1 . . . . 48 ASP CA . 15789 1 157 . 1 1 26 26 ASP CB C 13 41.057 0.044 . 1 . . . . 48 ASP CB . 15789 1 158 . 1 1 26 26 ASP N N 15 121.523 0.031 . 1 . . . . 48 ASP N . 15789 1 159 . 1 1 27 27 GLN H H 1 8.383 0.005 . 1 . . . . 49 GLN H . 15789 1 160 . 1 1 27 27 GLN HA H 1 4.220 0.007 . 1 . . . . 49 GLN HA . 15789 1 161 . 1 1 27 27 GLN HB2 H 1 1.952 0.008 . 2 . . . . 49 GLN HB2 . 15789 1 162 . 1 1 27 27 GLN HB3 H 1 2.086 0.013 . 2 . . . . 49 GLN HB3 . 15789 1 163 . 1 1 27 27 GLN HG2 H 1 2.328 0.006 . 1 . . . . 49 GLN HG2 . 15789 1 164 . 1 1 27 27 GLN HG3 H 1 2.318 0.005 . 1 . . . . 49 GLN HG3 . 15789 1 165 . 1 1 27 27 GLN C C 13 176.309 0.000 . 1 . . . . 49 GLN C . 15789 1 166 . 1 1 27 27 GLN CA C 13 56.403 0.025 . 1 . . . . 49 GLN CA . 15789 1 167 . 1 1 27 27 GLN CB C 13 29.366 0.092 . 1 . . . . 49 GLN CB . 15789 1 168 . 1 1 27 27 GLN N N 15 120.167 0.026 . 1 . . . . 49 GLN N . 15789 1 169 . 1 1 28 28 GLU H H 1 8.317 0.009 . 1 . . . . 50 GLU H . 15789 1 170 . 1 1 28 28 GLU HA H 1 4.163 0.020 . 1 . . . . 50 GLU HA . 15789 1 171 . 1 1 28 28 GLU HB2 H 1 1.895 0.000 . 1 . . . . 50 GLU HB2 . 15789 1 172 . 1 1 28 28 GLU HB3 H 1 1.893 0.003 . 1 . . . . 50 GLU HB3 . 15789 1 173 . 1 1 28 28 GLU HG2 H 1 2.163 0.017 . 1 . . . . 50 GLU HG2 . 15789 1 174 . 1 1 28 28 GLU HG3 H 1 2.163 0.017 . 1 . . . . 50 GLU HG3 . 15789 1 175 . 1 1 28 28 GLU C C 13 176.197 0.000 . 1 . . . . 50 GLU C . 15789 1 176 . 1 1 28 28 GLU CA C 13 57.096 0.005 . 1 . . . . 50 GLU CA . 15789 1 177 . 1 1 28 28 GLU CB C 13 29.962 0.000 . 1 . . . . 50 GLU CB . 15789 1 178 . 1 1 28 28 GLU N N 15 120.561 0.015 . 1 . . . . 50 GLU N . 15789 1 179 . 1 1 29 29 HIS HB2 H 1 3.145 0.000 . 2 . . . . 51 HIS HB2 . 15789 1 180 . 1 1 29 29 HIS HB3 H 1 3.259 0.000 . 2 . . . . 51 HIS HB3 . 15789 1 181 . 1 1 29 29 HIS CA C 13 55.564 0.000 . 1 . . . . 51 HIS CA . 15789 1 182 . 1 1 29 29 HIS CB C 13 28.825 0.000 . 1 . . . . 51 HIS CB . 15789 1 183 . 1 1 30 30 ILE H H 1 8.063 0.007 . 1 . . . . 52 ILE H . 15789 1 184 . 1 1 30 30 ILE HA H 1 4.053 0.006 . 1 . . . . 52 ILE HA . 15789 1 185 . 1 1 30 30 ILE HB H 1 1.825 0.005 . 1 . . . . 52 ILE HB . 15789 1 186 . 1 1 30 30 ILE HD11 H 1 0.832 0.021 . 1 . . . . 52 ILE HD11 . 15789 1 187 . 1 1 30 30 ILE HD12 H 1 0.832 0.021 . 1 . . . . 52 ILE HD12 . 15789 1 188 . 1 1 30 30 ILE HD13 H 1 0.832 0.021 . 1 . . . . 52 ILE HD13 . 15789 1 189 . 1 1 30 30 ILE HG12 H 1 1.148 0.006 . 2 . . . . 52 ILE HG12 . 15789 1 190 . 1 1 30 30 ILE HG13 H 1 1.433 0.007 . 2 . . . . 52 ILE HG13 . 15789 1 191 . 1 1 30 30 ILE HG21 H 1 0.853 0.009 . 1 . . . . 52 ILE HG21 . 15789 1 192 . 1 1 30 30 ILE HG22 H 1 0.853 0.009 . 1 . . . . 52 ILE HG22 . 15789 1 193 . 1 1 30 30 ILE HG23 H 1 0.853 0.009 . 1 . . . . 52 ILE HG23 . 15789 1 194 . 1 1 30 30 ILE C C 13 174.659 0.000 . 1 . . . . 52 ILE C . 15789 1 195 . 1 1 30 30 ILE CA C 13 61.911 0.035 . 1 . . . . 52 ILE CA . 15789 1 196 . 1 1 30 30 ILE CB C 13 38.573 0.062 . 1 . . . . 52 ILE CB . 15789 1 197 . 1 1 30 30 ILE CD1 C 13 12.941 0.025 . 1 . . . . 52 ILE CD1 . 15789 1 198 . 1 1 30 30 ILE CG1 C 13 27.404 0.117 . 1 . . . . 52 ILE CG1 . 15789 1 199 . 1 1 30 30 ILE CG2 C 13 17.524 0.032 . 1 . . . . 52 ILE CG2 . 15789 1 200 . 1 1 30 30 ILE N N 15 121.966 0.025 . 1 . . . . 52 ILE N . 15789 1 201 . 1 1 31 31 MET H H 1 8.391 0.009 . 1 . . . . 53 MET H . 15789 1 202 . 1 1 31 31 MET HA H 1 4.409 0.012 . 1 . . . . 53 MET HA . 15789 1 203 . 1 1 31 31 MET HB2 H 1 1.983 0.004 . 2 . . . . 53 MET HB2 . 15789 1 204 . 1 1 31 31 MET HB3 H 1 2.016 0.022 . 2 . . . . 53 MET HB3 . 15789 1 205 . 1 1 31 31 MET HE1 H 1 2.060 0.010 . 1 . . . . 53 MET HE1 . 15789 1 206 . 1 1 31 31 MET HE2 H 1 2.060 0.010 . 1 . . . . 53 MET HE2 . 15789 1 207 . 1 1 31 31 MET HE3 H 1 2.060 0.010 . 1 . . . . 53 MET HE3 . 15789 1 208 . 1 1 31 31 MET HG2 H 1 2.511 0.023 . 2 . . . . 53 MET HG2 . 15789 1 209 . 1 1 31 31 MET HG3 H 1 2.609 0.046 . 2 . . . . 53 MET HG3 . 15789 1 210 . 1 1 31 31 MET C C 13 176.394 0.000 . 1 . . . . 53 MET C . 15789 1 211 . 1 1 31 31 MET CA C 13 55.654 0.032 . 1 . . . . 53 MET CA . 15789 1 212 . 1 1 31 31 MET CB C 13 32.433 0.065 . 1 . . . . 53 MET CB . 15789 1 213 . 1 1 31 31 MET CE C 13 16.938 0.026 . 1 . . . . 53 MET CE . 15789 1 214 . 1 1 31 31 MET CG C 13 32.161 0.110 . 1 . . . . 53 MET CG . 15789 1 215 . 1 1 31 31 MET N N 15 122.899 0.035 . 1 . . . . 53 MET N . 15789 1 216 . 1 1 32 32 GLU H H 1 8.197 0.009 . 1 . . . . 54 GLU H . 15789 1 217 . 1 1 32 32 GLU HA H 1 4.178 0.008 . 1 . . . . 54 GLU HA . 15789 1 218 . 1 1 32 32 GLU HB2 H 1 1.908 0.008 . 1 . . . . 54 GLU HB2 . 15789 1 219 . 1 1 32 32 GLU HB3 H 1 1.907 0.008 . 1 . . . . 54 GLU HB3 . 15789 1 220 . 1 1 32 32 GLU HG2 H 1 2.187 0.002 . 1 . . . . 54 GLU HG2 . 15789 1 221 . 1 1 32 32 GLU HG3 H 1 2.203 0.014 . 1 . . . . 54 GLU HG3 . 15789 1 222 . 1 1 32 32 GLU C C 13 176.284 0.000 . 1 . . . . 54 GLU C . 15789 1 223 . 1 1 32 32 GLU CA C 13 56.931 0.038 . 1 . . . . 54 GLU CA . 15789 1 224 . 1 1 32 32 GLU CB C 13 30.235 0.061 . 1 . . . . 54 GLU CB . 15789 1 225 . 1 1 32 32 GLU N N 15 121.314 0.049 . 1 . . . . 54 GLU N . 15789 1 226 . 1 1 33 33 HIS H H 1 8.365 0.007 . 1 . . . . 55 HIS H . 15789 1 227 . 1 1 33 33 HIS HA H 1 4.691 0.012 . 1 . . . . 55 HIS HA . 15789 1 228 . 1 1 33 33 HIS HB2 H 1 3.133 0.007 . 2 . . . . 55 HIS HB2 . 15789 1 229 . 1 1 33 33 HIS HB3 H 1 3.252 0.007 . 2 . . . . 55 HIS HB3 . 15789 1 230 . 1 1 33 33 HIS C C 13 176.312 0.000 . 1 . . . . 55 HIS C . 15789 1 231 . 1 1 33 33 HIS CA C 13 55.488 0.011 . 1 . . . . 55 HIS CA . 15789 1 232 . 1 1 33 33 HIS CB C 13 29.038 0.054 . 1 . . . . 55 HIS CB . 15789 1 233 . 1 1 33 33 HIS N N 15 118.795 0.025 . 1 . . . . 55 HIS N . 15789 1 234 . 1 1 34 34 LEU H H 1 8.230 0.020 . 1 . . . . 56 LEU H . 15789 1 235 . 1 1 34 34 LEU HA H 1 4.285 0.003 . 1 . . . . 56 LEU HA . 15789 1 236 . 1 1 34 34 LEU HB2 H 1 1.553 0.014 . 1 . . . . 56 LEU HB2 . 15789 1 237 . 1 1 34 34 LEU C C 13 174.444 0.000 . 1 . . . . 56 LEU C . 15789 1 238 . 1 1 34 34 LEU CA C 13 56.666 0.000 . 1 . . . . 56 LEU CA . 15789 1 239 . 1 1 34 34 LEU CB C 13 42.321 0.076 . 1 . . . . 56 LEU CB . 15789 1 240 . 1 1 34 34 LEU N N 15 123.426 0.064 . 1 . . . . 56 LEU N . 15789 1 241 . 1 1 35 35 GLU CA C 13 57.008 0.000 . 1 . . . . 57 GLU CA . 15789 1 242 . 1 1 35 35 GLU CB C 13 29.998 0.000 . 1 . . . . 57 GLU CB . 15789 1 243 . 1 1 36 36 GLY HA2 H 1 3.930 0.008 . 1 . . . . 58 GLY HA2 . 15789 1 244 . 1 1 36 36 GLY HA3 H 1 3.930 0.008 . 1 . . . . 58 GLY HA3 . 15789 1 245 . 1 1 36 36 GLY C C 13 176.952 0.000 . 1 . . . . 58 GLY C . 15789 1 246 . 1 1 36 36 GLY CA C 13 45.429 0.040 . 1 . . . . 58 GLY CA . 15789 1 247 . 1 1 37 37 VAL H H 1 7.839 0.018 . 1 . . . . 59 VAL H . 15789 1 248 . 1 1 37 37 VAL HA H 1 4.083 0.004 . 1 . . . . 59 VAL HA . 15789 1 249 . 1 1 37 37 VAL HB H 1 2.037 0.007 . 1 . . . . 59 VAL HB . 15789 1 250 . 1 1 37 37 VAL HG11 H 1 0.881 0.007 . 2 . . . . 59 VAL HG11 . 15789 1 251 . 1 1 37 37 VAL HG12 H 1 0.881 0.007 . 2 . . . . 59 VAL HG12 . 15789 1 252 . 1 1 37 37 VAL HG13 H 1 0.881 0.007 . 2 . . . . 59 VAL HG13 . 15789 1 253 . 1 1 37 37 VAL HG21 H 1 0.897 0.035 . 2 . . . . 59 VAL HG21 . 15789 1 254 . 1 1 37 37 VAL HG22 H 1 0.897 0.035 . 2 . . . . 59 VAL HG22 . 15789 1 255 . 1 1 37 37 VAL HG23 H 1 0.897 0.035 . 2 . . . . 59 VAL HG23 . 15789 1 256 . 1 1 37 37 VAL C C 13 173.962 0.000 . 1 . . . . 59 VAL C . 15789 1 257 . 1 1 37 37 VAL CA C 13 62.450 0.042 . 1 . . . . 59 VAL CA . 15789 1 258 . 1 1 37 37 VAL CB C 13 32.703 0.026 . 1 . . . . 59 VAL CB . 15789 1 259 . 1 1 37 37 VAL CG1 C 13 20.814 0.053 . 1 . . . . 59 VAL CG1 . 15789 1 260 . 1 1 37 37 VAL CG2 C 13 20.814 0.053 . 1 . . . . 59 VAL CG2 . 15789 1 261 . 1 1 37 37 VAL N N 15 119.265 0.013 . 1 . . . . 59 VAL N . 15789 1 262 . 1 1 38 38 ILE H H 1 8.119 0.014 . 1 . . . . 60 ILE H . 15789 1 263 . 1 1 38 38 ILE HA H 1 4.131 0.013 . 1 . . . . 60 ILE HA . 15789 1 264 . 1 1 38 38 ILE HB H 1 1.820 0.006 . 1 . . . . 60 ILE HB . 15789 1 265 . 1 1 38 38 ILE HD11 H 1 0.812 0.001 . 1 . . . . 60 ILE HD11 . 15789 1 266 . 1 1 38 38 ILE HD12 H 1 0.812 0.001 . 1 . . . . 60 ILE HD12 . 15789 1 267 . 1 1 38 38 ILE HD13 H 1 0.812 0.001 . 1 . . . . 60 ILE HD13 . 15789 1 268 . 1 1 38 38 ILE HG12 H 1 1.138 0.004 . 2 . . . . 60 ILE HG12 . 15789 1 269 . 1 1 38 38 ILE HG13 H 1 1.434 0.004 . 2 . . . . 60 ILE HG13 . 15789 1 270 . 1 1 38 38 ILE HG21 H 1 0.853 0.007 . 1 . . . . 60 ILE HG21 . 15789 1 271 . 1 1 38 38 ILE HG22 H 1 0.853 0.007 . 1 . . . . 60 ILE HG22 . 15789 1 272 . 1 1 38 38 ILE HG23 H 1 0.853 0.007 . 1 . . . . 60 ILE HG23 . 15789 1 273 . 1 1 38 38 ILE C C 13 176.061 0.000 . 1 . . . . 60 ILE C . 15789 1 274 . 1 1 38 38 ILE CA C 13 61.038 0.079 . 1 . . . . 60 ILE CA . 15789 1 275 . 1 1 38 38 ILE CB C 13 38.692 0.029 . 1 . . . . 60 ILE CB . 15789 1 276 . 1 1 38 38 ILE CD1 C 13 13.018 0.001 . 1 . . . . 60 ILE CD1 . 15789 1 277 . 1 1 38 38 ILE CG1 C 13 27.317 0.018 . 1 . . . . 60 ILE CG1 . 15789 1 278 . 1 1 38 38 ILE CG2 C 13 17.526 0.001 . 1 . . . . 60 ILE CG2 . 15789 1 279 . 1 1 38 38 ILE N N 15 123.665 0.056 . 1 . . . . 60 ILE N . 15789 1 280 . 1 1 39 39 ASN H H 1 8.416 0.011 . 1 . . . . 61 ASN H . 15789 1 281 . 1 1 39 39 ASN HA H 1 4.696 0.010 . 1 . . . . 61 ASN HA . 15789 1 282 . 1 1 39 39 ASN HB2 H 1 2.673 0.009 . 2 . . . . 61 ASN HB2 . 15789 1 283 . 1 1 39 39 ASN HB3 H 1 2.747 0.019 . 2 . . . . 61 ASN HB3 . 15789 1 284 . 1 1 39 39 ASN C C 13 175.410 0.000 . 1 . . . . 61 ASN C . 15789 1 285 . 1 1 39 39 ASN CA C 13 52.990 0.031 . 1 . . . . 61 ASN CA . 15789 1 286 . 1 1 39 39 ASN CB C 13 38.992 0.050 . 1 . . . . 61 ASN CB . 15789 1 287 . 1 1 39 39 ASN N N 15 123.182 0.083 . 1 . . . . 61 ASN N . 15789 1 288 . 1 1 39 39 ASN ND2 N 15 112.772 0.013 . 1 . . . . 61 ASN ND2 . 15789 1 289 . 1 1 40 40 LYS H H 1 8.005 0.004 . 1 . . . . 62 LYS H . 15789 1 290 . 1 1 40 40 LYS HA H 1 4.533 0.000 . 1 . . . . 62 LYS HA . 15789 1 291 . 1 1 40 40 LYS C C 13 174.301 0.000 . 1 . . . . 62 LYS C . 15789 1 292 . 1 1 40 40 LYS CA C 13 54.325 0.000 . 1 . . . . 62 LYS CA . 15789 1 293 . 1 1 40 40 LYS CB C 13 32.934 0.000 . 1 . . . . 62 LYS CB . 15789 1 294 . 1 1 40 40 LYS N N 15 122.933 0.039 . 1 . . . . 62 LYS N . 15789 1 295 . 1 1 41 41 PRO CA C 13 63.122 0.064 . 1 . . . . 63 PRO CA . 15789 1 296 . 1 1 41 41 PRO CB C 13 32.662 0.871 . 1 . . . . 63 PRO CB . 15789 1 297 . 1 1 42 42 GLU H H 1 8.650 0.003 . 1 . . . . 64 GLU H . 15789 1 298 . 1 1 42 42 GLU HA H 1 4.087 0.005 . 1 . . . . 64 GLU HA . 15789 1 299 . 1 1 42 42 GLU HB2 H 1 1.946 0.000 . 1 . . . . 64 GLU HB2 . 15789 1 300 . 1 1 42 42 GLU C C 13 177.473 0.000 . 1 . . . . 64 GLU C . 15789 1 301 . 1 1 42 42 GLU CA C 13 58.060 0.008 . 1 . . . . 64 GLU CA . 15789 1 302 . 1 1 42 42 GLU CB C 13 29.739 0.024 . 1 . . . . 64 GLU CB . 15789 1 303 . 1 1 42 42 GLU N N 15 122.048 0.035 . 1 . . . . 64 GLU N . 15789 1 304 . 1 1 43 43 ALA H H 1 8.271 0.003 . 1 . . . . 65 ALA H . 15789 1 305 . 1 1 43 43 ALA HA H 1 4.229 0.016 . 1 . . . . 65 ALA HA . 15789 1 306 . 1 1 43 43 ALA HB1 H 1 1.397 0.006 . 1 . . . . 65 ALA HB1 . 15789 1 307 . 1 1 43 43 ALA HB2 H 1 1.397 0.006 . 1 . . . . 65 ALA HB2 . 15789 1 308 . 1 1 43 43 ALA HB3 H 1 1.397 0.006 . 1 . . . . 65 ALA HB3 . 15789 1 309 . 1 1 43 43 ALA C C 13 177.494 0.000 . 1 . . . . 65 ALA C . 15789 1 310 . 1 1 43 43 ALA CA C 13 53.174 0.047 . 1 . . . . 65 ALA CA . 15789 1 311 . 1 1 43 43 ALA CB C 13 19.279 0.059 . 1 . . . . 65 ALA CB . 15789 1 312 . 1 1 43 43 ALA N N 15 121.573 0.067 . 1 . . . . 65 ALA N . 15789 1 313 . 1 1 44 44 GLU H H 1 7.965 0.008 . 1 . . . . 66 GLU H . 15789 1 314 . 1 1 44 44 GLU HA H 1 4.309 0.010 . 1 . . . . 66 GLU HA . 15789 1 315 . 1 1 44 44 GLU HB2 H 1 1.824 0.002 . 2 . . . . 66 GLU HB2 . 15789 1 316 . 1 1 44 44 GLU HB3 H 1 2.178 0.019 . 2 . . . . 66 GLU HB3 . 15789 1 317 . 1 1 44 44 GLU HG2 H 1 2.216 0.017 . 1 . . . . 66 GLU HG2 . 15789 1 318 . 1 1 44 44 GLU HG3 H 1 2.216 0.016 . 1 . . . . 66 GLU HG3 . 15789 1 319 . 1 1 44 44 GLU C C 13 177.876 0.000 . 1 . . . . 66 GLU C . 15789 1 320 . 1 1 44 44 GLU CA C 13 55.863 0.075 . 1 . . . . 66 GLU CA . 15789 1 321 . 1 1 44 44 GLU CG C 13 36.187 0.076 . 1 . . . . 66 GLU CG . 15789 1 322 . 1 1 44 44 GLU N N 15 117.171 0.045 . 1 . . . . 66 GLU N . 15789 1 323 . 1 1 45 45 MET H H 1 7.827 0.008 . 1 . . . . 67 MET H . 15789 1 324 . 1 1 45 45 MET HA H 1 4.422 0.008 . 1 . . . . 67 MET HA . 15789 1 325 . 1 1 45 45 MET HB2 H 1 1.977 0.003 . 1 . . . . 67 MET HB2 . 15789 1 326 . 1 1 45 45 MET HB3 H 1 1.977 0.003 . 1 . . . . 67 MET HB3 . 15789 1 327 . 1 1 45 45 MET HE1 H 1 1.728 0.003 . 1 . . . . 67 MET HE1 . 15789 1 328 . 1 1 45 45 MET HE2 H 1 1.728 0.003 . 1 . . . . 67 MET HE2 . 15789 1 329 . 1 1 45 45 MET HE3 H 1 1.728 0.003 . 1 . . . . 67 MET HE3 . 15789 1 330 . 1 1 45 45 MET HG3 H 1 2.578 0.008 . 1 . . . . 67 MET HG3 . 15789 1 331 . 1 1 45 45 MET C C 13 176.315 0.000 . 1 . . . . 67 MET C . 15789 1 332 . 1 1 45 45 MET CA C 13 55.716 0.146 . 1 . . . . 67 MET CA . 15789 1 333 . 1 1 45 45 MET CB C 13 34.295 0.029 . 1 . . . . 67 MET CB . 15789 1 334 . 1 1 45 45 MET CE C 13 17.489 0.023 . 1 . . . . 67 MET CE . 15789 1 335 . 1 1 45 45 MET CG C 13 33.259 0.032 . 1 . . . . 67 MET CG . 15789 1 336 . 1 1 45 45 MET N N 15 121.004 0.030 . 1 . . . . 67 MET N . 15789 1 337 . 1 1 46 46 SER H H 1 8.937 0.019 . 1 . . . . 68 SER H . 15789 1 338 . 1 1 46 46 SER HA H 1 4.735 0.020 . 1 . . . . 68 SER HA . 15789 1 339 . 1 1 46 46 SER HB2 H 1 3.979 0.000 . 2 . . . . 68 SER HB2 . 15789 1 340 . 1 1 46 46 SER HB3 H 1 4.328 0.000 . 2 . . . . 68 SER HB3 . 15789 1 341 . 1 1 46 46 SER C C 13 175.912 0.000 . 1 . . . . 68 SER C . 15789 1 342 . 1 1 46 46 SER CA C 13 56.614 0.000 . 1 . . . . 68 SER CA . 15789 1 343 . 1 1 46 46 SER N N 15 120.323 0.017 . 1 . . . . 68 SER N . 15789 1 344 . 1 1 47 47 PRO HA H 1 4.275 0.006 . 1 . . . . 69 PRO HA . 15789 1 345 . 1 1 47 47 PRO HB2 H 1 2.415 0.002 . 1 . . . . 69 PRO HB2 . 15789 1 346 . 1 1 47 47 PRO HD2 H 1 3.880 0.003 . 2 . . . . 69 PRO HD2 . 15789 1 347 . 1 1 47 47 PRO HD3 H 1 3.951 0.004 . 2 . . . . 69 PRO HD3 . 15789 1 348 . 1 1 47 47 PRO HG2 H 1 2.055 0.003 . 2 . . . . 69 PRO HG2 . 15789 1 349 . 1 1 47 47 PRO HG3 H 1 2.204 0.001 . 2 . . . . 69 PRO HG3 . 15789 1 350 . 1 1 47 47 PRO CA C 13 66.049 0.061 . 1 . . . . 69 PRO CA . 15789 1 351 . 1 1 47 47 PRO CB C 13 31.816 0.058 . 1 . . . . 69 PRO CB . 15789 1 352 . 1 1 47 47 PRO CD C 13 50.170 0.061 . 1 . . . . 69 PRO CD . 15789 1 353 . 1 1 47 47 PRO CG C 13 28.151 0.033 . 1 . . . . 69 PRO CG . 15789 1 354 . 1 1 48 48 GLN H H 1 8.317 0.018 . 1 . . . . 70 GLN H . 15789 1 355 . 1 1 48 48 GLN HA H 1 4.098 0.008 . 1 . . . . 70 GLN HA . 15789 1 356 . 1 1 48 48 GLN HB2 H 1 2.065 0.014 . 1 . . . . 70 GLN HB2 . 15789 1 357 . 1 1 48 48 GLN HB3 H 1 2.065 0.014 . 1 . . . . 70 GLN HB3 . 15789 1 358 . 1 1 48 48 GLN HE21 H 1 6.860 0.002 . 1 . . . . 70 GLN HE21 . 15789 1 359 . 1 1 48 48 GLN HE22 H 1 7.527 0.001 . 1 . . . . 70 GLN HE22 . 15789 1 360 . 1 1 48 48 GLN HG2 H 1 2.444 0.011 . 2 . . . . 70 GLN HG2 . 15789 1 361 . 1 1 48 48 GLN HG3 H 1 2.508 0.002 . 2 . . . . 70 GLN HG3 . 15789 1 362 . 1 1 48 48 GLN C C 13 179.016 0.000 . 1 . . . . 70 GLN C . 15789 1 363 . 1 1 48 48 GLN CA C 13 59.347 0.032 . 1 . . . . 70 GLN CA . 15789 1 364 . 1 1 48 48 GLN CB C 13 28.150 0.157 . 1 . . . . 70 GLN CB . 15789 1 365 . 1 1 48 48 GLN CG C 13 34.444 0.040 . 1 . . . . 70 GLN CG . 15789 1 366 . 1 1 48 48 GLN N N 15 116.274 0.016 . 1 . . . . 70 GLN N . 15789 1 367 . 1 1 48 48 GLN NE2 N 15 112.224 0.010 . 1 . . . . 70 GLN NE2 . 15789 1 368 . 1 1 49 49 GLU H H 1 7.746 0.013 . 1 . . . . 71 GLU H . 15789 1 369 . 1 1 49 49 GLU HA H 1 3.981 0.012 . 1 . . . . 71 GLU HA . 15789 1 370 . 1 1 49 49 GLU HB2 H 1 1.999 0.013 . 2 . . . . 71 GLU HB2 . 15789 1 371 . 1 1 49 49 GLU HB3 H 1 2.284 0.004 . 2 . . . . 71 GLU HB3 . 15789 1 372 . 1 1 49 49 GLU HG2 H 1 2.282 0.002 . 2 . . . . 71 GLU HG2 . 15789 1 373 . 1 1 49 49 GLU HG3 H 1 2.351 0.003 . 2 . . . . 71 GLU HG3 . 15789 1 374 . 1 1 49 49 GLU C C 13 178.403 0.000 . 1 . . . . 71 GLU C . 15789 1 375 . 1 1 49 49 GLU CA C 13 59.037 0.075 . 1 . . . . 71 GLU CA . 15789 1 376 . 1 1 49 49 GLU CB C 13 29.938 0.045 . 1 . . . . 71 GLU CB . 15789 1 377 . 1 1 49 49 GLU CG C 13 36.973 0.111 . 1 . . . . 71 GLU CG . 15789 1 378 . 1 1 49 49 GLU N N 15 120.802 0.033 . 1 . . . . 71 GLU N . 15789 1 379 . 1 1 50 50 LEU H H 1 8.554 0.016 . 1 . . . . 72 LEU H . 15789 1 380 . 1 1 50 50 LEU HA H 1 4.104 0.013 . 1 . . . . 72 LEU HA . 15789 1 381 . 1 1 50 50 LEU HB2 H 1 1.678 0.008 . 1 . . . . 72 LEU HB2 . 15789 1 382 . 1 1 50 50 LEU HB3 H 1 1.678 0.008 . 1 . . . . 72 LEU HB3 . 15789 1 383 . 1 1 50 50 LEU HD11 H 1 0.878 0.005 . 1 . . . . 72 LEU HD11 . 15789 1 384 . 1 1 50 50 LEU HD12 H 1 0.878 0.005 . 1 . . . . 72 LEU HD12 . 15789 1 385 . 1 1 50 50 LEU HD13 H 1 0.878 0.005 . 1 . . . . 72 LEU HD13 . 15789 1 386 . 1 1 50 50 LEU HG H 1 1.505 0.003 . 1 . . . . 72 LEU HG . 15789 1 387 . 1 1 50 50 LEU C C 13 179.246 0.000 . 1 . . . . 72 LEU C . 15789 1 388 . 1 1 50 50 LEU CA C 13 58.045 0.056 . 1 . . . . 72 LEU CA . 15789 1 389 . 1 1 50 50 LEU CB C 13 42.038 0.035 . 1 . . . . 72 LEU CB . 15789 1 390 . 1 1 50 50 LEU CG C 13 26.874 0.041 . 1 . . . . 72 LEU CG . 15789 1 391 . 1 1 50 50 LEU N N 15 121.694 0.035 . 1 . . . . 72 LEU N . 15789 1 392 . 1 1 51 51 GLN H H 1 8.040 0.007 . 1 . . . . 73 GLN H . 15789 1 393 . 1 1 51 51 GLN HA H 1 4.225 0.013 . 1 . . . . 73 GLN HA . 15789 1 394 . 1 1 51 51 GLN HB2 H 1 2.312 0.007 . 2 . . . . 73 GLN HB2 . 15789 1 395 . 1 1 51 51 GLN HB3 H 1 2.430 0.006 . 2 . . . . 73 GLN HB3 . 15789 1 396 . 1 1 51 51 GLN HE21 H 1 6.755 0.002 . 1 . . . . 73 GLN HE21 . 15789 1 397 . 1 1 51 51 GLN HE22 H 1 7.142 0.001 . 1 . . . . 73 GLN HE22 . 15789 1 398 . 1 1 51 51 GLN HG2 H 1 2.477 0.002 . 2 . . . . 73 GLN HG2 . 15789 1 399 . 1 1 51 51 GLN HG3 H 1 2.638 0.005 . 2 . . . . 73 GLN HG3 . 15789 1 400 . 1 1 51 51 GLN C C 13 178.894 0.000 . 1 . . . . 73 GLN C . 15789 1 401 . 1 1 51 51 GLN CA C 13 59.787 0.092 . 1 . . . . 73 GLN CA . 15789 1 402 . 1 1 51 51 GLN CB C 13 28.956 0.071 . 1 . . . . 73 GLN CB . 15789 1 403 . 1 1 51 51 GLN CG C 13 34.760 0.081 . 1 . . . . 73 GLN CG . 15789 1 404 . 1 1 51 51 GLN N N 15 118.635 0.032 . 1 . . . . 73 GLN N . 15789 1 405 . 1 1 51 51 GLN NE2 N 15 109.495 0.020 . 1 . . . . 73 GLN NE2 . 15789 1 406 . 1 1 52 52 LEU H H 1 7.879 0.010 . 1 . . . . 74 LEU H . 15789 1 407 . 1 1 52 52 LEU HA H 1 4.188 0.013 . 1 . . . . 74 LEU HA . 15789 1 408 . 1 1 52 52 LEU HB2 H 1 1.493 0.006 . 2 . . . . 74 LEU HB2 . 15789 1 409 . 1 1 52 52 LEU HB3 H 1 1.766 0.010 . 2 . . . . 74 LEU HB3 . 15789 1 410 . 1 1 52 52 LEU HD11 H 1 0.426 0.002 . 2 . . . . 74 LEU HD11 . 15789 1 411 . 1 1 52 52 LEU HD12 H 1 0.426 0.002 . 2 . . . . 74 LEU HD12 . 15789 1 412 . 1 1 52 52 LEU HD13 H 1 0.426 0.002 . 2 . . . . 74 LEU HD13 . 15789 1 413 . 1 1 52 52 LEU HD21 H 1 0.652 0.003 . 2 . . . . 74 LEU HD21 . 15789 1 414 . 1 1 52 52 LEU HD22 H 1 0.652 0.003 . 2 . . . . 74 LEU HD22 . 15789 1 415 . 1 1 52 52 LEU HD23 H 1 0.652 0.003 . 2 . . . . 74 LEU HD23 . 15789 1 416 . 1 1 52 52 LEU HG H 1 1.486 0.006 . 1 . . . . 74 LEU HG . 15789 1 417 . 1 1 52 52 LEU C C 13 178.134 0.000 . 1 . . . . 74 LEU C . 15789 1 418 . 1 1 52 52 LEU CA C 13 58.056 0.074 . 1 . . . . 74 LEU CA . 15789 1 419 . 1 1 52 52 LEU CB C 13 41.447 0.048 . 1 . . . . 74 LEU CB . 15789 1 420 . 1 1 52 52 LEU CD1 C 13 22.977 0.042 . 2 . . . . 74 LEU CD1 . 15789 1 421 . 1 1 52 52 LEU CD2 C 13 25.033 0.057 . 2 . . . . 74 LEU CD2 . 15789 1 422 . 1 1 52 52 LEU CG C 13 26.839 0.024 . 1 . . . . 74 LEU CG . 15789 1 423 . 1 1 52 52 LEU N N 15 120.799 0.031 . 1 . . . . 74 LEU N . 15789 1 424 . 1 1 53 53 HIS H H 1 8.333 0.012 . 1 . . . . 75 HIS H . 15789 1 425 . 1 1 53 53 HIS HA H 1 4.340 0.015 . 1 . . . . 75 HIS HA . 15789 1 426 . 1 1 53 53 HIS HB2 H 1 3.234 0.014 . 2 . . . . 75 HIS HB2 . 15789 1 427 . 1 1 53 53 HIS HB3 H 1 3.476 0.002 . 2 . . . . 75 HIS HB3 . 15789 1 428 . 1 1 53 53 HIS HD2 H 1 6.910 0.006 . 1 . . . . 75 HIS HD2 . 15789 1 429 . 1 1 53 53 HIS C C 13 176.506 0.000 . 1 . . . . 75 HIS C . 15789 1 430 . 1 1 53 53 HIS CA C 13 59.322 0.073 . 1 . . . . 75 HIS CA . 15789 1 431 . 1 1 53 53 HIS CB C 13 28.888 0.081 . 1 . . . . 75 HIS CB . 15789 1 432 . 1 1 53 53 HIS CD2 C 13 119.760 0.070 . 1 . . . . 75 HIS CD2 . 15789 1 433 . 1 1 53 53 HIS N N 15 118.539 0.076 . 1 . . . . 75 HIS N . 15789 1 434 . 1 1 54 54 TYR H H 1 8.595 0.019 . 1 . . . . 76 TYR H . 15789 1 435 . 1 1 54 54 TYR HA H 1 4.213 0.011 . 1 . . . . 76 TYR HA . 15789 1 436 . 1 1 54 54 TYR HB2 H 1 3.303 0.009 . 2 . . . . 76 TYR HB2 . 15789 1 437 . 1 1 54 54 TYR HB3 H 1 3.404 0.007 . 2 . . . . 76 TYR HB3 . 15789 1 438 . 1 1 54 54 TYR HD1 H 1 5.452 1.986 . 3 . . . . 76 TYR HD1 . 15789 1 439 . 1 1 54 54 TYR HD2 H 1 5.452 1.986 . 3 . . . . 76 TYR HD2 . 15789 1 440 . 1 1 54 54 TYR HE1 H 1 6.777 0.006 . 3 . . . . 76 TYR HE1 . 15789 1 441 . 1 1 54 54 TYR HE2 H 1 6.777 0.006 . 3 . . . . 76 TYR HE2 . 15789 1 442 . 1 1 54 54 TYR C C 13 176.859 0.000 . 1 . . . . 76 TYR C . 15789 1 443 . 1 1 54 54 TYR CA C 13 60.860 0.093 . 1 . . . . 76 TYR CA . 15789 1 444 . 1 1 54 54 TYR CB C 13 38.129 0.029 . 1 . . . . 76 TYR CB . 15789 1 445 . 1 1 54 54 TYR CD1 C 13 132.589 0.046 . 3 . . . . 76 TYR CD1 . 15789 1 446 . 1 1 54 54 TYR CD2 C 13 132.589 0.046 . 3 . . . . 76 TYR CD2 . 15789 1 447 . 1 1 54 54 TYR CE1 C 13 118.069 0.020 . 3 . . . . 76 TYR CE1 . 15789 1 448 . 1 1 54 54 TYR CE2 C 13 118.069 0.020 . 3 . . . . 76 TYR CE2 . 15789 1 449 . 1 1 54 54 TYR N N 15 119.028 0.049 . 1 . . . . 76 TYR N . 15789 1 450 . 1 1 55 55 PHE H H 1 8.282 0.009 . 1 . . . . 77 PHE H . 15789 1 451 . 1 1 55 55 PHE HA H 1 3.413 0.005 . 1 . . . . 77 PHE HA . 15789 1 452 . 1 1 55 55 PHE HB2 H 1 2.969 0.008 . 2 . . . . 77 PHE HB2 . 15789 1 453 . 1 1 55 55 PHE HB3 H 1 3.408 0.006 . 2 . . . . 77 PHE HB3 . 15789 1 454 . 1 1 55 55 PHE HD1 H 1 6.584 0.009 . 3 . . . . 77 PHE HD1 . 15789 1 455 . 1 1 55 55 PHE HD2 H 1 6.584 0.009 . 3 . . . . 77 PHE HD2 . 15789 1 456 . 1 1 55 55 PHE HE1 H 1 6.970 0.008 . 3 . . . . 77 PHE HE1 . 15789 1 457 . 1 1 55 55 PHE HE2 H 1 6.970 0.008 . 3 . . . . 77 PHE HE2 . 15789 1 458 . 1 1 55 55 PHE C C 13 177.668 0.000 . 1 . . . . 77 PHE C . 15789 1 459 . 1 1 55 55 PHE CA C 13 62.223 0.014 . 1 . . . . 77 PHE CA . 15789 1 460 . 1 1 55 55 PHE CB C 13 39.810 0.071 . 1 . . . . 77 PHE CB . 15789 1 461 . 1 1 55 55 PHE CD1 C 13 131.335 0.036 . 3 . . . . 77 PHE CD1 . 15789 1 462 . 1 1 55 55 PHE CD2 C 13 131.335 0.036 . 3 . . . . 77 PHE CD2 . 15789 1 463 . 1 1 55 55 PHE CE1 C 13 131.280 0.070 . 3 . . . . 77 PHE CE1 . 15789 1 464 . 1 1 55 55 PHE CE2 C 13 131.280 0.070 . 3 . . . . 77 PHE CE2 . 15789 1 465 . 1 1 55 55 PHE N N 15 121.032 0.041 . 1 . . . . 77 PHE N . 15789 1 466 . 1 1 56 56 LYS H H 1 8.496 0.015 . 1 . . . . 78 LYS H . 15789 1 467 . 1 1 56 56 LYS HA H 1 3.831 0.006 . 1 . . . . 78 LYS HA . 15789 1 468 . 1 1 56 56 LYS HB2 H 1 1.817 0.002 . 2 . . . . 78 LYS HB2 . 15789 1 469 . 1 1 56 56 LYS HB3 H 1 1.906 0.003 . 2 . . . . 78 LYS HB3 . 15789 1 470 . 1 1 56 56 LYS HD2 H 1 1.712 0.005 . 2 . . . . 78 LYS HD2 . 15789 1 471 . 1 1 56 56 LYS HD3 H 1 1.754 0.001 . 2 . . . . 78 LYS HD3 . 15789 1 472 . 1 1 56 56 LYS HE2 H 1 2.936 0.004 . 2 . . . . 78 LYS HE2 . 15789 1 473 . 1 1 56 56 LYS HE3 H 1 2.993 0.004 . 2 . . . . 78 LYS HE3 . 15789 1 474 . 1 1 56 56 LYS HG2 H 1 1.637 0.003 . 2 . . . . 78 LYS HG2 . 15789 1 475 . 1 1 56 56 LYS HG3 H 1 1.705 0.005 . 2 . . . . 78 LYS HG3 . 15789 1 476 . 1 1 56 56 LYS C C 13 176.190 0.000 . 1 . . . . 78 LYS C . 15789 1 477 . 1 1 56 56 LYS CA C 13 58.598 0.078 . 1 . . . . 78 LYS CA . 15789 1 478 . 1 1 56 56 LYS CB C 13 31.557 0.045 . 1 . . . . 78 LYS CB . 15789 1 479 . 1 1 56 56 LYS CD C 13 28.593 0.115 . 1 . . . . 78 LYS CD . 15789 1 480 . 1 1 56 56 LYS CE C 13 29.114 0.000 . 1 . . . . 78 LYS CE . 15789 1 481 . 1 1 56 56 LYS CG C 13 25.320 0.100 . 1 . . . . 78 LYS CG . 15789 1 482 . 1 1 56 56 LYS N N 15 115.969 0.042 . 1 . . . . 78 LYS N . 15789 1 483 . 1 1 57 57 MET H H 1 8.012 0.015 . 1 . . . . 79 MET H . 15789 1 484 . 1 1 57 57 MET HA H 1 3.924 0.012 . 1 . . . . 79 MET HA . 15789 1 485 . 1 1 57 57 MET HB2 H 1 1.550 0.007 . 2 . . . . 79 MET HB2 . 15789 1 486 . 1 1 57 57 MET HB3 H 1 1.853 0.006 . 2 . . . . 79 MET HB3 . 15789 1 487 . 1 1 57 57 MET HE1 H 1 1.863 0.004 . 1 . . . . 79 MET HE1 . 15789 1 488 . 1 1 57 57 MET HE2 H 1 1.863 0.004 . 1 . . . . 79 MET HE2 . 15789 1 489 . 1 1 57 57 MET HE3 H 1 1.863 0.004 . 1 . . . . 79 MET HE3 . 15789 1 490 . 1 1 57 57 MET HG2 H 1 1.881 0.002 . 2 . . . . 79 MET HG2 . 15789 1 491 . 1 1 57 57 MET HG3 H 1 2.084 0.004 . 2 . . . . 79 MET HG3 . 15789 1 492 . 1 1 57 57 MET C C 13 180.000 0.000 . 1 . . . . 79 MET C . 15789 1 493 . 1 1 57 57 MET CA C 13 57.353 0.020 . 1 . . . . 79 MET CA . 15789 1 494 . 1 1 57 57 MET CB C 13 32.403 0.045 . 1 . . . . 79 MET CB . 15789 1 495 . 1 1 57 57 MET CE C 13 16.739 0.058 . 1 . . . . 79 MET CE . 15789 1 496 . 1 1 57 57 MET CG C 13 31.454 0.091 . 1 . . . . 79 MET CG . 15789 1 497 . 1 1 57 57 MET N N 15 116.674 0.037 . 1 . . . . 79 MET N . 15789 1 498 . 1 1 58 58 HIS H H 1 6.942 0.010 . 1 . . . . 80 HIS H . 15789 1 499 . 1 1 58 58 HIS HA H 1 4.013 0.014 . 1 . . . . 80 HIS HA . 15789 1 500 . 1 1 58 58 HIS HB2 H 1 2.260 0.011 . 2 . . . . 80 HIS HB2 . 15789 1 501 . 1 1 58 58 HIS HB3 H 1 3.138 0.010 . 2 . . . . 80 HIS HB3 . 15789 1 502 . 1 1 58 58 HIS C C 13 176.555 0.000 . 1 . . . . 80 HIS C . 15789 1 503 . 1 1 58 58 HIS CA C 13 56.357 0.048 . 1 . . . . 80 HIS CA . 15789 1 504 . 1 1 58 58 HIS CB C 13 28.668 0.050 . 1 . . . . 80 HIS CB . 15789 1 505 . 1 1 58 58 HIS N N 15 113.802 0.050 . 1 . . . . 80 HIS N . 15789 1 506 . 1 1 59 59 ASP H H 1 6.720 0.011 . 1 . . . . 81 ASP H . 15789 1 507 . 1 1 59 59 ASP HB2 H 1 1.744 0.005 . 2 . . . . 81 ASP HB2 . 15789 1 508 . 1 1 59 59 ASP HB3 H 1 2.614 0.015 . 2 . . . . 81 ASP HB3 . 15789 1 509 . 1 1 59 59 ASP C C 13 170.967 0.000 . 1 . . . . 81 ASP C . 15789 1 510 . 1 1 59 59 ASP CA C 13 51.639 0.059 . 1 . . . . 81 ASP CA . 15789 1 511 . 1 1 59 59 ASP CB C 13 39.043 0.047 . 1 . . . . 81 ASP CB . 15789 1 512 . 1 1 59 59 ASP N N 15 118.276 0.061 . 1 . . . . 81 ASP N . 15789 1 513 . 1 1 60 60 TYR H H 1 7.496 0.009 . 1 . . . . 82 TYR H . 15789 1 514 . 1 1 60 60 TYR HA H 1 4.248 0.006 . 1 . . . . 82 TYR HA . 15789 1 515 . 1 1 60 60 TYR HB2 H 1 2.949 0.011 . 2 . . . . 82 TYR HB2 . 15789 1 516 . 1 1 60 60 TYR HB3 H 1 3.213 0.025 . 2 . . . . 82 TYR HB3 . 15789 1 517 . 1 1 60 60 TYR HD1 H 1 7.122 0.005 . 3 . . . . 82 TYR HD1 . 15789 1 518 . 1 1 60 60 TYR HD2 H 1 7.122 0.005 . 3 . . . . 82 TYR HD2 . 15789 1 519 . 1 1 60 60 TYR HE1 H 1 6.868 0.005 . 3 . . . . 82 TYR HE1 . 15789 1 520 . 1 1 60 60 TYR HE2 H 1 6.868 0.005 . 3 . . . . 82 TYR HE2 . 15789 1 521 . 1 1 60 60 TYR C C 13 177.518 0.000 . 1 . . . . 82 TYR C . 15789 1 522 . 1 1 60 60 TYR CA C 13 60.049 0.086 . 1 . . . . 82 TYR CA . 15789 1 523 . 1 1 60 60 TYR CB C 13 37.972 0.109 . 1 . . . . 82 TYR CB . 15789 1 524 . 1 1 60 60 TYR CD1 C 13 132.662 0.039 . 3 . . . . 82 TYR CD1 . 15789 1 525 . 1 1 60 60 TYR CD2 C 13 132.662 0.039 . 3 . . . . 82 TYR CD2 . 15789 1 526 . 1 1 60 60 TYR CE1 C 13 118.889 0.032 . 3 . . . . 82 TYR CE1 . 15789 1 527 . 1 1 60 60 TYR CE2 C 13 118.889 0.032 . 3 . . . . 82 TYR CE2 . 15789 1 528 . 1 1 60 60 TYR N N 15 124.297 0.032 . 1 . . . . 82 TYR N . 15789 1 529 . 1 1 61 61 ASP H H 1 8.081 0.004 . 1 . . . . 83 ASP H . 15789 1 530 . 1 1 61 61 ASP HA H 1 4.606 0.006 . 1 . . . . 83 ASP HA . 15789 1 531 . 1 1 61 61 ASP HB2 H 1 2.671 0.007 . 2 . . . . 83 ASP HB2 . 15789 1 532 . 1 1 61 61 ASP HB3 H 1 3.052 0.006 . 2 . . . . 83 ASP HB3 . 15789 1 533 . 1 1 61 61 ASP CA C 13 52.751 0.032 . 1 . . . . 83 ASP CA . 15789 1 534 . 1 1 61 61 ASP CB C 13 39.634 0.009 . 1 . . . . 83 ASP CB . 15789 1 535 . 1 1 61 61 ASP N N 15 113.816 0.060 . 1 . . . . 83 ASP N . 15789 1 536 . 1 1 62 62 GLY H H 1 7.438 0.006 . 1 . . . . 84 GLY H . 15789 1 537 . 1 1 62 62 GLY HA2 H 1 3.810 0.010 . 2 . . . . 84 GLY HA2 . 15789 1 538 . 1 1 62 62 GLY HA3 H 1 3.838 0.004 . 2 . . . . 84 GLY HA3 . 15789 1 539 . 1 1 62 62 GLY C C 13 177.948 0.000 . 1 . . . . 84 GLY C . 15789 1 540 . 1 1 62 62 GLY CA C 13 47.540 0.046 . 1 . . . . 84 GLY CA . 15789 1 541 . 1 1 62 62 GLY N N 15 107.753 0.038 . 1 . . . . 84 GLY N . 15789 1 542 . 1 1 63 63 ASN H H 1 7.890 0.009 . 1 . . . . 85 ASN H . 15789 1 543 . 1 1 63 63 ASN HA H 1 4.635 0.011 . 1 . . . . 85 ASN HA . 15789 1 544 . 1 1 63 63 ASN HB2 H 1 2.561 0.004 . 2 . . . . 85 ASN HB2 . 15789 1 545 . 1 1 63 63 ASN HB3 H 1 3.189 0.006 . 2 . . . . 85 ASN HB3 . 15789 1 546 . 1 1 63 63 ASN HD21 H 1 6.411 0.005 . 1 . . . . 85 ASN HD21 . 15789 1 547 . 1 1 63 63 ASN HD22 H 1 7.904 0.010 . 1 . . . . 85 ASN HD22 . 15789 1 548 . 1 1 63 63 ASN C C 13 174.585 0.000 . 1 . . . . 85 ASN C . 15789 1 549 . 1 1 63 63 ASN CA C 13 52.008 0.015 . 1 . . . . 85 ASN CA . 15789 1 550 . 1 1 63 63 ASN CB C 13 37.336 0.054 . 1 . . . . 85 ASN CB . 15789 1 551 . 1 1 63 63 ASN N N 15 117.627 0.051 . 1 . . . . 85 ASN N . 15789 1 552 . 1 1 63 63 ASN ND2 N 15 112.597 0.053 . 1 . . . . 85 ASN ND2 . 15789 1 553 . 1 1 64 64 ASN H H 1 10.595 0.003 . 1 . . . . 86 ASN H . 15789 1 554 . 1 1 64 64 ASN HA H 1 4.147 0.011 . 1 . . . . 86 ASN HA . 15789 1 555 . 1 1 64 64 ASN HB2 H 1 2.984 0.009 . 2 . . . . 86 ASN HB2 . 15789 1 556 . 1 1 64 64 ASN HB3 H 1 3.038 0.004 . 2 . . . . 86 ASN HB3 . 15789 1 557 . 1 1 64 64 ASN HD21 H 1 6.765 0.003 . 1 . . . . 86 ASN HD21 . 15789 1 558 . 1 1 64 64 ASN HD22 H 1 7.446 0.002 . 1 . . . . 86 ASN HD22 . 15789 1 559 . 1 1 64 64 ASN C C 13 175.111 0.000 . 1 . . . . 86 ASN C . 15789 1 560 . 1 1 64 64 ASN CA C 13 54.611 0.038 . 1 . . . . 86 ASN CA . 15789 1 561 . 1 1 64 64 ASN CB C 13 37.485 0.070 . 1 . . . . 86 ASN CB . 15789 1 562 . 1 1 64 64 ASN N N 15 117.775 0.043 . 1 . . . . 86 ASN N . 15789 1 563 . 1 1 64 64 ASN ND2 N 15 113.630 0.032 . 1 . . . . 86 ASN ND2 . 15789 1 564 . 1 1 65 65 LEU H H 1 7.284 0.007 . 1 . . . . 87 LEU H . 15789 1 565 . 1 1 65 65 LEU HA H 1 4.721 0.026 . 1 . . . . 87 LEU HA . 15789 1 566 . 1 1 65 65 LEU HB2 H 1 0.907 0.003 . 2 . . . . 87 LEU HB2 . 15789 1 567 . 1 1 65 65 LEU HB3 H 1 1.102 0.006 . 2 . . . . 87 LEU HB3 . 15789 1 568 . 1 1 65 65 LEU HD11 H 1 0.059 0.005 . 2 . . . . 87 LEU HD11 . 15789 1 569 . 1 1 65 65 LEU HD12 H 1 0.059 0.005 . 2 . . . . 87 LEU HD12 . 15789 1 570 . 1 1 65 65 LEU HD13 H 1 0.059 0.005 . 2 . . . . 87 LEU HD13 . 15789 1 571 . 1 1 65 65 LEU HD21 H 1 0.828 0.004 . 2 . . . . 87 LEU HD21 . 15789 1 572 . 1 1 65 65 LEU HD22 H 1 0.828 0.004 . 2 . . . . 87 LEU HD22 . 15789 1 573 . 1 1 65 65 LEU HD23 H 1 0.828 0.004 . 2 . . . . 87 LEU HD23 . 15789 1 574 . 1 1 65 65 LEU HG H 1 1.360 0.006 . 1 . . . . 87 LEU HG . 15789 1 575 . 1 1 65 65 LEU C C 13 172.911 0.000 . 1 . . . . 87 LEU C . 15789 1 576 . 1 1 65 65 LEU CA C 13 53.442 0.008 . 1 . . . . 87 LEU CA . 15789 1 577 . 1 1 65 65 LEU CB C 13 47.276 0.050 . 1 . . . . 87 LEU CB . 15789 1 578 . 1 1 65 65 LEU CD1 C 13 24.271 0.058 . 2 . . . . 87 LEU CD1 . 15789 1 579 . 1 1 65 65 LEU CD2 C 13 23.288 0.072 . 2 . . . . 87 LEU CD2 . 15789 1 580 . 1 1 65 65 LEU CG C 13 25.369 0.049 . 1 . . . . 87 LEU CG . 15789 1 581 . 1 1 65 65 LEU N N 15 116.196 0.040 . 1 . . . . 87 LEU N . 15789 1 582 . 1 1 66 66 LEU H H 1 9.552 0.003 . 1 . . . . 88 LEU H . 15789 1 583 . 1 1 66 66 LEU HA H 1 5.536 0.008 . 1 . . . . 88 LEU HA . 15789 1 584 . 1 1 66 66 LEU HB2 H 1 1.012 0.007 . 2 . . . . 88 LEU HB2 . 15789 1 585 . 1 1 66 66 LEU HB3 H 1 1.987 0.005 . 2 . . . . 88 LEU HB3 . 15789 1 586 . 1 1 66 66 LEU HD11 H 1 -0.006 0.017 . 2 . . . . 88 LEU HD11 . 15789 1 587 . 1 1 66 66 LEU HD12 H 1 -0.006 0.017 . 2 . . . . 88 LEU HD12 . 15789 1 588 . 1 1 66 66 LEU HD13 H 1 -0.006 0.017 . 2 . . . . 88 LEU HD13 . 15789 1 589 . 1 1 66 66 LEU HD21 H 1 0.237 0.004 . 2 . . . . 88 LEU HD21 . 15789 1 590 . 1 1 66 66 LEU HD22 H 1 0.237 0.004 . 2 . . . . 88 LEU HD22 . 15789 1 591 . 1 1 66 66 LEU HD23 H 1 0.237 0.004 . 2 . . . . 88 LEU HD23 . 15789 1 592 . 1 1 66 66 LEU HG H 1 1.164 0.016 . 1 . . . . 88 LEU HG . 15789 1 593 . 1 1 66 66 LEU C C 13 175.494 0.000 . 1 . . . . 88 LEU C . 15789 1 594 . 1 1 66 66 LEU CA C 13 53.332 0.065 . 1 . . . . 88 LEU CA . 15789 1 595 . 1 1 66 66 LEU CB C 13 42.181 0.068 . 1 . . . . 88 LEU CB . 15789 1 596 . 1 1 66 66 LEU CD1 C 13 21.636 0.110 . 2 . . . . 88 LEU CD1 . 15789 1 597 . 1 1 66 66 LEU CD2 C 13 26.248 0.084 . 2 . . . . 88 LEU CD2 . 15789 1 598 . 1 1 66 66 LEU N N 15 124.177 0.045 . 1 . . . . 88 LEU N . 15789 1 599 . 1 1 67 67 ASP H H 1 8.882 0.007 . 1 . . . . 89 ASP H . 15789 1 600 . 1 1 67 67 ASP HA H 1 4.856 0.006 . 1 . . . . 89 ASP HA . 15789 1 601 . 1 1 67 67 ASP HB2 H 1 2.684 0.009 . 2 . . . . 89 ASP HB2 . 15789 1 602 . 1 1 67 67 ASP HB3 H 1 3.178 0.008 . 2 . . . . 89 ASP HB3 . 15789 1 603 . 1 1 67 67 ASP C C 13 176.794 0.000 . 1 . . . . 89 ASP C . 15789 1 604 . 1 1 67 67 ASP CA C 13 51.870 0.016 . 1 . . . . 89 ASP CA . 15789 1 605 . 1 1 67 67 ASP CB C 13 42.886 0.084 . 1 . . . . 89 ASP CB . 15789 1 606 . 1 1 67 67 ASP N N 15 123.466 0.041 . 1 . . . . 89 ASP N . 15789 1 607 . 1 1 68 68 GLY H H 1 8.717 0.021 . 1 . . . . 90 GLY H . 15789 1 608 . 1 1 68 68 GLY HA2 H 1 3.664 0.009 . 2 . . . . 90 GLY HA2 . 15789 1 609 . 1 1 68 68 GLY HA3 H 1 3.926 0.008 . 2 . . . . 90 GLY HA3 . 15789 1 610 . 1 1 68 68 GLY C C 13 175.984 0.000 . 1 . . . . 90 GLY C . 15789 1 611 . 1 1 68 68 GLY CA C 13 48.025 0.058 . 1 . . . . 90 GLY CA . 15789 1 612 . 1 1 68 68 GLY N N 15 103.880 0.015 . 1 . . . . 90 GLY N . 15789 1 613 . 1 1 69 69 LEU H H 1 8.147 0.006 . 1 . . . . 91 LEU H . 15789 1 614 . 1 1 69 69 LEU HA H 1 4.282 0.011 . 1 . . . . 91 LEU HA . 15789 1 615 . 1 1 69 69 LEU HB2 H 1 1.823 0.007 . 2 . . . . 91 LEU HB2 . 15789 1 616 . 1 1 69 69 LEU HB3 H 1 1.827 0.001 . 2 . . . . 91 LEU HB3 . 15789 1 617 . 1 1 69 69 LEU HD11 H 1 0.821 0.000 . 1 . . . . 91 LEU HD11 . 15789 1 618 . 1 1 69 69 LEU HD12 H 1 0.821 0.000 . 1 . . . . 91 LEU HD12 . 15789 1 619 . 1 1 69 69 LEU HD13 H 1 0.821 0.000 . 1 . . . . 91 LEU HD13 . 15789 1 620 . 1 1 69 69 LEU HD21 H 1 0.821 0.000 . 1 . . . . 91 LEU HD21 . 15789 1 621 . 1 1 69 69 LEU HD22 H 1 0.821 0.000 . 1 . . . . 91 LEU HD22 . 15789 1 622 . 1 1 69 69 LEU HD23 H 1 0.821 0.000 . 1 . . . . 91 LEU HD23 . 15789 1 623 . 1 1 69 69 LEU HG H 1 1.678 0.007 . 1 . . . . 91 LEU HG . 15789 1 624 . 1 1 69 69 LEU C C 13 176.002 0.000 . 1 . . . . 91 LEU C . 15789 1 625 . 1 1 69 69 LEU CA C 13 57.706 0.013 . 1 . . . . 91 LEU CA . 15789 1 626 . 1 1 69 69 LEU CB C 13 41.355 0.031 . 1 . . . . 91 LEU CB . 15789 1 627 . 1 1 69 69 LEU CD1 C 13 24.109 0.122 . 1 . . . . 91 LEU CD1 . 15789 1 628 . 1 1 69 69 LEU CG C 13 27.500 0.094 . 1 . . . . 91 LEU CG . 15789 1 629 . 1 1 69 69 LEU N N 15 124.044 0.040 . 1 . . . . 91 LEU N . 15789 1 630 . 1 1 70 70 GLU H H 1 8.787 0.007 . 1 . . . . 92 GLU H . 15789 1 631 . 1 1 70 70 GLU HA H 1 4.020 0.010 . 1 . . . . 92 GLU HA . 15789 1 632 . 1 1 70 70 GLU HB2 H 1 2.363 0.007 . 1 . . . . 92 GLU HB2 . 15789 1 633 . 1 1 70 70 GLU HG2 H 1 2.433 0.001 . 2 . . . . 92 GLU HG2 . 15789 1 634 . 1 1 70 70 GLU HG3 H 1 2.910 0.007 . 2 . . . . 92 GLU HG3 . 15789 1 635 . 1 1 70 70 GLU C C 13 180.928 0.000 . 1 . . . . 92 GLU C . 15789 1 636 . 1 1 70 70 GLU CA C 13 59.463 0.074 . 1 . . . . 92 GLU CA . 15789 1 637 . 1 1 70 70 GLU CB C 13 30.130 0.103 . 1 . . . . 92 GLU CB . 15789 1 638 . 1 1 70 70 GLU CG C 13 37.074 0.073 . 1 . . . . 92 GLU CG . 15789 1 639 . 1 1 70 70 GLU N N 15 123.310 0.056 . 1 . . . . 92 GLU N . 15789 1 640 . 1 1 71 71 LEU H H 1 8.957 0.008 . 1 . . . . 93 LEU H . 15789 1 641 . 1 1 71 71 LEU HA H 1 3.935 0.010 . 1 . . . . 93 LEU HA . 15789 1 642 . 1 1 71 71 LEU HB2 H 1 1.673 0.008 . 1 . . . . 93 LEU HB2 . 15789 1 643 . 1 1 71 71 LEU HB3 H 1 1.673 0.008 . 1 . . . . 93 LEU HB3 . 15789 1 644 . 1 1 71 71 LEU HD11 H 1 0.880 0.003 . 1 . . . . 93 LEU HD11 . 15789 1 645 . 1 1 71 71 LEU HD12 H 1 0.880 0.003 . 1 . . . . 93 LEU HD12 . 15789 1 646 . 1 1 71 71 LEU HD13 H 1 0.880 0.003 . 1 . . . . 93 LEU HD13 . 15789 1 647 . 1 1 71 71 LEU HD21 H 1 0.880 0.003 . 1 . . . . 93 LEU HD21 . 15789 1 648 . 1 1 71 71 LEU HD22 H 1 0.880 0.003 . 1 . . . . 93 LEU HD22 . 15789 1 649 . 1 1 71 71 LEU HD23 H 1 0.880 0.003 . 1 . . . . 93 LEU HD23 . 15789 1 650 . 1 1 71 71 LEU C C 13 180.392 0.000 . 1 . . . . 93 LEU C . 15789 1 651 . 1 1 71 71 LEU CD1 C 13 24.548 0.121 . 1 . . . . 93 LEU CD1 . 15789 1 652 . 1 1 71 71 LEU CD2 C 13 24.548 0.121 . 1 . . . . 93 LEU CD2 . 15789 1 653 . 1 1 71 71 LEU N N 15 118.938 0.026 . 1 . . . . 93 LEU N . 15789 1 654 . 1 1 72 72 SER HA H 1 4.082 0.003 . 1 . . . . 94 SER HA . 15789 1 655 . 1 1 72 72 SER HB2 H 1 4.063 0.000 . 1 . . . . 94 SER HB2 . 15789 1 656 . 1 1 72 72 SER C C 13 178.459 0.000 . 1 . . . . 94 SER C . 15789 1 657 . 1 1 72 72 SER CB C 13 62.977 0.000 . 1 . . . . 94 SER CB . 15789 1 658 . 1 1 73 73 THR HA H 1 4.209 0.007 . 1 . . . . 95 THR HA . 15789 1 659 . 1 1 73 73 THR HB H 1 4.447 0.009 . 1 . . . . 95 THR HB . 15789 1 660 . 1 1 73 73 THR HG21 H 1 1.381 0.009 . 1 . . . . 95 THR HG21 . 15789 1 661 . 1 1 73 73 THR HG22 H 1 1.381 0.009 . 1 . . . . 95 THR HG22 . 15789 1 662 . 1 1 73 73 THR HG23 H 1 1.381 0.009 . 1 . . . . 95 THR HG23 . 15789 1 663 . 1 1 73 73 THR C C 13 176.275 0.000 . 1 . . . . 95 THR C . 15789 1 664 . 1 1 73 73 THR CA C 13 64.635 0.000 . 1 . . . . 95 THR CA . 15789 1 665 . 1 1 73 73 THR CB C 13 69.048 0.061 . 1 . . . . 95 THR CB . 15789 1 666 . 1 1 73 73 THR CG2 C 13 22.246 0.066 . 1 . . . . 95 THR CG2 . 15789 1 667 . 1 1 74 74 ALA H H 1 7.945 0.005 . 1 . . . . 96 ALA H . 15789 1 668 . 1 1 74 74 ALA HA H 1 3.418 0.007 . 1 . . . . 96 ALA HA . 15789 1 669 . 1 1 74 74 ALA HB1 H 1 1.163 0.004 . 1 . . . . 96 ALA HB1 . 15789 1 670 . 1 1 74 74 ALA HB2 H 1 1.163 0.004 . 1 . . . . 96 ALA HB2 . 15789 1 671 . 1 1 74 74 ALA HB3 H 1 1.163 0.004 . 1 . . . . 96 ALA HB3 . 15789 1 672 . 1 1 74 74 ALA C C 13 175.411 0.000 . 1 . . . . 96 ALA C . 15789 1 673 . 1 1 74 74 ALA CA C 13 53.988 0.066 . 1 . . . . 96 ALA CA . 15789 1 674 . 1 1 74 74 ALA CB C 13 18.613 0.031 . 1 . . . . 96 ALA CB . 15789 1 675 . 1 1 74 74 ALA N N 15 125.033 0.048 . 1 . . . . 96 ALA N . 15789 1 676 . 1 1 75 75 ILE H H 1 8.055 0.014 . 1 . . . . 97 ILE H . 15789 1 677 . 1 1 75 75 ILE HA H 1 3.934 0.004 . 1 . . . . 97 ILE HA . 15789 1 678 . 1 1 75 75 ILE HB H 1 1.927 0.004 . 1 . . . . 97 ILE HB . 15789 1 679 . 1 1 75 75 ILE HD11 H 1 0.789 0.004 . 1 . . . . 97 ILE HD11 . 15789 1 680 . 1 1 75 75 ILE HD12 H 1 0.789 0.004 . 1 . . . . 97 ILE HD12 . 15789 1 681 . 1 1 75 75 ILE HD13 H 1 0.789 0.004 . 1 . . . . 97 ILE HD13 . 15789 1 682 . 1 1 75 75 ILE HG12 H 1 1.319 0.003 . 2 . . . . 97 ILE HG12 . 15789 1 683 . 1 1 75 75 ILE HG13 H 1 1.530 0.002 . 2 . . . . 97 ILE HG13 . 15789 1 684 . 1 1 75 75 ILE HG21 H 1 0.842 0.006 . 1 . . . . 97 ILE HG21 . 15789 1 685 . 1 1 75 75 ILE HG22 H 1 0.842 0.006 . 1 . . . . 97 ILE HG22 . 15789 1 686 . 1 1 75 75 ILE HG23 H 1 0.842 0.006 . 1 . . . . 97 ILE HG23 . 15789 1 687 . 1 1 75 75 ILE C C 13 177.767 0.000 . 1 . . . . 97 ILE C . 15789 1 688 . 1 1 75 75 ILE CA C 13 62.976 0.051 . 1 . . . . 97 ILE CA . 15789 1 689 . 1 1 75 75 ILE CB C 13 38.101 0.018 . 1 . . . . 97 ILE CB . 15789 1 690 . 1 1 75 75 ILE CD1 C 13 13.445 0.018 . 1 . . . . 97 ILE CD1 . 15789 1 691 . 1 1 75 75 ILE CG1 C 13 28.199 0.031 . 1 . . . . 97 ILE CG1 . 15789 1 692 . 1 1 75 75 ILE CG2 C 13 17.887 0.052 . 1 . . . . 97 ILE CG2 . 15789 1 693 . 1 1 75 75 ILE N N 15 116.363 0.008 . 1 . . . . 97 ILE N . 15789 1 694 . 1 1 76 76 THR HA H 1 4.124 0.007 . 1 . . . . 98 THR HA . 15789 1 695 . 1 1 76 76 THR HB H 1 4.236 0.005 . 1 . . . . 98 THR HB . 15789 1 696 . 1 1 76 76 THR HG21 H 1 1.228 0.010 . 1 . . . . 98 THR HG21 . 15789 1 697 . 1 1 76 76 THR HG22 H 1 1.228 0.010 . 1 . . . . 98 THR HG22 . 15789 1 698 . 1 1 76 76 THR HG23 H 1 1.228 0.010 . 1 . . . . 98 THR HG23 . 15789 1 699 . 1 1 76 76 THR C C 13 177.056 0.000 . 1 . . . . 98 THR C . 15789 1 700 . 1 1 76 76 THR CA C 13 64.215 0.039 . 1 . . . . 98 THR CA . 15789 1 701 . 1 1 76 76 THR CB C 13 69.369 0.017 . 1 . . . . 98 THR CB . 15789 1 702 . 1 1 76 76 THR CG2 C 13 21.872 0.036 . 1 . . . . 98 THR CG2 . 15789 1 703 . 1 1 77 77 HIS H H 1 7.974 0.005 . 1 . . . . 99 HIS H . 15789 1 704 . 1 1 77 77 HIS HA H 1 4.643 0.026 . 1 . . . . 99 HIS HA . 15789 1 705 . 1 1 77 77 HIS HB2 H 1 3.265 0.015 . 2 . . . . 99 HIS HB2 . 15789 1 706 . 1 1 77 77 HIS HB3 H 1 3.334 0.008 . 2 . . . . 99 HIS HB3 . 15789 1 707 . 1 1 77 77 HIS C C 13 175.220 0.000 . 1 . . . . 99 HIS C . 15789 1 708 . 1 1 77 77 HIS CA C 13 56.486 0.000 . 1 . . . . 99 HIS CA . 15789 1 709 . 1 1 77 77 HIS CB C 13 29.355 0.041 . 1 . . . . 99 HIS CB . 15789 1 710 . 1 1 77 77 HIS N N 15 119.385 0.059 . 1 . . . . 99 HIS N . 15789 1 711 . 1 1 78 78 VAL H H 1 7.872 0.007 . 1 . . . . 100 VAL H . 15789 1 712 . 1 1 78 78 VAL HA H 1 3.823 0.004 . 1 . . . . 100 VAL HA . 15789 1 713 . 1 1 78 78 VAL HB H 1 1.996 0.010 . 1 . . . . 100 VAL HB . 15789 1 714 . 1 1 78 78 VAL HG11 H 1 0.777 0.011 . 2 . . . . 100 VAL HG11 . 15789 1 715 . 1 1 78 78 VAL HG12 H 1 0.777 0.011 . 2 . . . . 100 VAL HG12 . 15789 1 716 . 1 1 78 78 VAL HG13 H 1 0.777 0.011 . 2 . . . . 100 VAL HG13 . 15789 1 717 . 1 1 78 78 VAL HG21 H 1 0.819 0.012 . 2 . . . . 100 VAL HG21 . 15789 1 718 . 1 1 78 78 VAL HG22 H 1 0.819 0.012 . 2 . . . . 100 VAL HG22 . 15789 1 719 . 1 1 78 78 VAL HG23 H 1 0.819 0.012 . 2 . . . . 100 VAL HG23 . 15789 1 720 . 1 1 78 78 VAL C C 13 175.096 0.000 . 1 . . . . 100 VAL C . 15789 1 721 . 1 1 78 78 VAL CA C 13 63.710 0.067 . 1 . . . . 100 VAL CA . 15789 1 722 . 1 1 78 78 VAL CB C 13 32.487 0.028 . 1 . . . . 100 VAL CB . 15789 1 723 . 1 1 78 78 VAL CG1 C 13 21.085 0.043 . 1 . . . . 100 VAL CG1 . 15789 1 724 . 1 1 78 78 VAL CG2 C 13 21.092 0.062 . 1 . . . . 100 VAL CG2 . 15789 1 725 . 1 1 78 78 VAL N N 15 118.717 0.034 . 1 . . . . 100 VAL N . 15789 1 726 . 1 1 79 79 HIS H H 1 8.285 0.010 . 1 . . . . 101 HIS H . 15789 1 727 . 1 1 79 79 HIS HB2 H 1 3.126 0.011 . 2 . . . . 101 HIS HB2 . 15789 1 728 . 1 1 79 79 HIS HB3 H 1 3.265 0.010 . 2 . . . . 101 HIS HB3 . 15789 1 729 . 1 1 79 79 HIS N N 15 120.315 0.041 . 1 . . . . 101 HIS N . 15789 1 730 . 1 1 83 83 GLY CA C 13 45.398 0.000 . 1 . . . . 105 GLY CA . 15789 1 731 . 1 1 84 84 SER H H 1 8.111 0.007 . 1 . . . . 106 SER H . 15789 1 732 . 1 1 84 84 SER HA H 1 4.381 0.000 . 1 . . . . 106 SER HA . 15789 1 733 . 1 1 84 84 SER HB2 H 1 3.838 0.064 . 1 . . . . 106 SER HB2 . 15789 1 734 . 1 1 84 84 SER C C 13 175.517 0.000 . 1 . . . . 106 SER C . 15789 1 735 . 1 1 84 84 SER CA C 13 58.378 0.003 . 1 . . . . 106 SER CA . 15789 1 736 . 1 1 84 84 SER CB C 13 63.987 0.048 . 1 . . . . 106 SER CB . 15789 1 737 . 1 1 84 84 SER N N 15 117.007 0.066 . 1 . . . . 106 SER N . 15789 1 738 . 1 1 85 85 GLU H H 1 8.557 0.031 . 1 . . . . 107 GLU H . 15789 1 739 . 1 1 85 85 GLU HA H 1 4.264 0.021 . 1 . . . . 107 GLU HA . 15789 1 740 . 1 1 85 85 GLU HB2 H 1 1.946 0.009 . 2 . . . . 107 GLU HB2 . 15789 1 741 . 1 1 85 85 GLU HB3 H 1 2.061 0.009 . 2 . . . . 107 GLU HB3 . 15789 1 742 . 1 1 85 85 GLU HG2 H 1 2.288 0.007 . 1 . . . . 107 GLU HG2 . 15789 1 743 . 1 1 85 85 GLU C C 13 174.806 0.000 . 1 . . . . 107 GLU C . 15789 1 744 . 1 1 85 85 GLU CA C 13 56.952 0.066 . 1 . . . . 107 GLU CA . 15789 1 745 . 1 1 85 85 GLU CB C 13 29.961 0.078 . 1 . . . . 107 GLU CB . 15789 1 746 . 1 1 85 85 GLU CG C 13 36.009 0.086 . 1 . . . . 107 GLU CG . 15789 1 747 . 1 1 85 85 GLU N N 15 122.512 0.021 . 1 . . . . 107 GLU N . 15789 1 748 . 1 1 86 86 GLN H H 1 8.226 0.006 . 1 . . . . 108 GLN H . 15789 1 749 . 1 1 86 86 GLN HA H 1 4.297 0.013 . 1 . . . . 108 GLN HA . 15789 1 750 . 1 1 86 86 GLN HB2 H 1 1.936 0.013 . 2 . . . . 108 GLN HB2 . 15789 1 751 . 1 1 86 86 GLN HB3 H 1 2.063 0.005 . 2 . . . . 108 GLN HB3 . 15789 1 752 . 1 1 86 86 GLN HG2 H 1 2.319 0.011 . 1 . . . . 108 GLN HG2 . 15789 1 753 . 1 1 86 86 GLN C C 13 176.375 0.000 . 1 . . . . 108 GLN C . 15789 1 754 . 1 1 86 86 GLN CA C 13 55.624 0.056 . 1 . . . . 108 GLN CA . 15789 1 755 . 1 1 86 86 GLN CB C 13 29.562 0.087 . 1 . . . . 108 GLN CB . 15789 1 756 . 1 1 86 86 GLN N N 15 119.991 0.018 . 1 . . . . 108 GLN N . 15789 1 757 . 1 1 87 87 ALA H H 1 8.164 0.008 . 1 . . . . 109 ALA H . 15789 1 758 . 1 1 87 87 ALA HA H 1 4.556 0.005 . 1 . . . . 109 ALA HA . 15789 1 759 . 1 1 87 87 ALA HB1 H 1 1.343 0.006 . 1 . . . . 109 ALA HB1 . 15789 1 760 . 1 1 87 87 ALA HB2 H 1 1.343 0.006 . 1 . . . . 109 ALA HB2 . 15789 1 761 . 1 1 87 87 ALA HB3 H 1 1.343 0.006 . 1 . . . . 109 ALA HB3 . 15789 1 762 . 1 1 87 87 ALA C C 13 175.219 0.000 . 1 . . . . 109 ALA C . 15789 1 763 . 1 1 87 87 ALA CA C 13 50.711 0.046 . 1 . . . . 109 ALA CA . 15789 1 764 . 1 1 87 87 ALA CB C 13 18.202 0.055 . 1 . . . . 109 ALA CB . 15789 1 765 . 1 1 87 87 ALA N N 15 126.395 0.033 . 1 . . . . 109 ALA N . 15789 1 766 . 1 1 88 88 PRO HA H 1 4.414 0.005 . 1 . . . . 110 PRO HA . 15789 1 767 . 1 1 88 88 PRO HB2 H 1 1.874 0.009 . 2 . . . . 110 PRO HB2 . 15789 1 768 . 1 1 88 88 PRO HB3 H 1 2.270 0.010 . 2 . . . . 110 PRO HB3 . 15789 1 769 . 1 1 88 88 PRO HD2 H 1 3.609 0.014 . 2 . . . . 110 PRO HD2 . 15789 1 770 . 1 1 88 88 PRO HD3 H 1 3.754 0.010 . 2 . . . . 110 PRO HD3 . 15789 1 771 . 1 1 88 88 PRO HG2 H 1 1.999 0.002 . 1 . . . . 110 PRO HG2 . 15789 1 772 . 1 1 88 88 PRO HG3 H 1 1.999 0.002 . 1 . . . . 110 PRO HG3 . 15789 1 773 . 1 1 88 88 PRO CA C 13 62.948 0.022 . 1 . . . . 110 PRO CA . 15789 1 774 . 1 1 88 88 PRO CB C 13 32.096 0.041 . 1 . . . . 110 PRO CB . 15789 1 775 . 1 1 88 88 PRO CD C 13 50.496 0.070 . 1 . . . . 110 PRO CD . 15789 1 776 . 1 1 88 88 PRO CG C 13 27.483 0.022 . 1 . . . . 110 PRO CG . 15789 1 777 . 1 1 89 89 LEU H H 1 8.250 0.003 . 1 . . . . 111 LEU H . 15789 1 778 . 1 1 89 89 LEU HA H 1 4.299 0.016 . 1 . . . . 111 LEU HA . 15789 1 779 . 1 1 89 89 LEU HB2 H 1 1.557 0.015 . 2 . . . . 111 LEU HB2 . 15789 1 780 . 1 1 89 89 LEU HB3 H 1 1.611 0.009 . 2 . . . . 111 LEU HB3 . 15789 1 781 . 1 1 89 89 LEU HD11 H 1 0.839 0.010 . 2 . . . . 111 LEU HD11 . 15789 1 782 . 1 1 89 89 LEU HD12 H 1 0.839 0.010 . 2 . . . . 111 LEU HD12 . 15789 1 783 . 1 1 89 89 LEU HD13 H 1 0.839 0.010 . 2 . . . . 111 LEU HD13 . 15789 1 784 . 1 1 89 89 LEU HD21 H 1 0.867 0.021 . 2 . . . . 111 LEU HD21 . 15789 1 785 . 1 1 89 89 LEU HD22 H 1 0.867 0.021 . 2 . . . . 111 LEU HD22 . 15789 1 786 . 1 1 89 89 LEU HD23 H 1 0.867 0.021 . 2 . . . . 111 LEU HD23 . 15789 1 787 . 1 1 89 89 LEU C C 13 176.655 0.000 . 1 . . . . 111 LEU C . 15789 1 788 . 1 1 89 89 LEU CA C 13 55.229 0.052 . 1 . . . . 111 LEU CA . 15789 1 789 . 1 1 89 89 LEU CB C 13 42.366 0.065 . 1 . . . . 111 LEU CB . 15789 1 790 . 1 1 89 89 LEU N N 15 122.034 0.031 . 1 . . . . 111 LEU N . 15789 1 791 . 1 1 90 90 MET H H 1 8.275 0.001 . 1 . . . . 112 MET H . 15789 1 792 . 1 1 90 90 MET HA H 1 4.504 0.007 . 1 . . . . 112 MET HA . 15789 1 793 . 1 1 90 90 MET HB2 H 1 1.974 0.006 . 2 . . . . 112 MET HB2 . 15789 1 794 . 1 1 90 90 MET HB3 H 1 2.002 0.004 . 2 . . . . 112 MET HB3 . 15789 1 795 . 1 1 90 90 MET HE1 H 1 1.960 0.004 . 1 . . . . 112 MET HE1 . 15789 1 796 . 1 1 90 90 MET HE2 H 1 1.960 0.004 . 1 . . . . 112 MET HE2 . 15789 1 797 . 1 1 90 90 MET HE3 H 1 1.960 0.004 . 1 . . . . 112 MET HE3 . 15789 1 798 . 1 1 90 90 MET HG2 H 1 2.495 0.009 . 1 . . . . 112 MET HG2 . 15789 1 799 . 1 1 90 90 MET HG3 H 1 2.495 0.009 . 1 . . . . 112 MET HG3 . 15789 1 800 . 1 1 90 90 MET C C 13 177.258 0.000 . 1 . . . . 112 MET C . 15789 1 801 . 1 1 90 90 MET CA C 13 55.276 0.060 . 1 . . . . 112 MET CA . 15789 1 802 . 1 1 90 90 MET CB C 13 34.113 0.030 . 1 . . . . 112 MET CB . 15789 1 803 . 1 1 90 90 MET CE C 13 17.098 0.059 . 1 . . . . 112 MET CE . 15789 1 804 . 1 1 90 90 MET CG C 13 32.007 0.021 . 1 . . . . 112 MET CG . 15789 1 805 . 1 1 90 90 MET N N 15 121.623 0.044 . 1 . . . . 112 MET N . 15789 1 806 . 1 1 91 91 SER H H 1 8.566 0.024 . 1 . . . . 113 SER H . 15789 1 807 . 1 1 91 91 SER HA H 1 4.483 0.009 . 1 . . . . 113 SER HA . 15789 1 808 . 1 1 91 91 SER HB2 H 1 4.202 0.012 . 1 . . . . 113 SER HB2 . 15789 1 809 . 1 1 91 91 SER C C 13 175.696 0.000 . 1 . . . . 113 SER C . 15789 1 810 . 1 1 91 91 SER CA C 13 57.686 0.067 . 1 . . . . 113 SER CA . 15789 1 811 . 1 1 91 91 SER CB C 13 64.678 0.070 . 1 . . . . 113 SER CB . 15789 1 812 . 1 1 91 91 SER N N 15 118.605 0.051 . 1 . . . . 113 SER N . 15789 1 813 . 1 1 92 92 GLU H H 1 8.849 0.007 . 1 . . . . 114 GLU H . 15789 1 814 . 1 1 92 92 GLU HA H 1 4.052 0.009 . 1 . . . . 114 GLU HA . 15789 1 815 . 1 1 92 92 GLU HB2 H 1 2.054 0.008 . 1 . . . . 114 GLU HB2 . 15789 1 816 . 1 1 92 92 GLU HG2 H 1 2.329 0.011 . 1 . . . . 114 GLU HG2 . 15789 1 817 . 1 1 92 92 GLU C C 13 174.855 0.000 . 1 . . . . 114 GLU C . 15789 1 818 . 1 1 92 92 GLU CA C 13 59.322 0.039 . 1 . . . . 114 GLU CA . 15789 1 819 . 1 1 92 92 GLU CB C 13 29.454 0.069 . 1 . . . . 114 GLU CB . 15789 1 820 . 1 1 92 92 GLU CG C 13 36.228 0.117 . 1 . . . . 114 GLU CG . 15789 1 821 . 1 1 92 92 GLU N N 15 122.573 0.035 . 1 . . . . 114 GLU N . 15789 1 822 . 1 1 93 93 ASP H H 1 8.278 0.015 . 1 . . . . 115 ASP H . 15789 1 823 . 1 1 93 93 ASP HA H 1 4.380 0.008 . 1 . . . . 115 ASP HA . 15789 1 824 . 1 1 93 93 ASP HB2 H 1 2.557 0.011 . 2 . . . . 115 ASP HB2 . 15789 1 825 . 1 1 93 93 ASP HB3 H 1 2.626 0.005 . 2 . . . . 115 ASP HB3 . 15789 1 826 . 1 1 93 93 ASP C C 13 177.704 0.000 . 1 . . . . 115 ASP C . 15789 1 827 . 1 1 93 93 ASP CA C 13 56.539 0.056 . 1 . . . . 115 ASP CA . 15789 1 828 . 1 1 93 93 ASP CB C 13 40.589 0.078 . 1 . . . . 115 ASP CB . 15789 1 829 . 1 1 93 93 ASP N N 15 117.325 0.019 . 1 . . . . 115 ASP N . 15789 1 830 . 1 1 94 94 GLU H H 1 7.747 0.011 . 1 . . . . 116 GLU H . 15789 1 831 . 1 1 94 94 GLU HA H 1 4.088 0.005 . 1 . . . . 116 GLU HA . 15789 1 832 . 1 1 94 94 GLU HB2 H 1 2.040 0.017 . 2 . . . . 116 GLU HB2 . 15789 1 833 . 1 1 94 94 GLU HB3 H 1 2.138 0.002 . 2 . . . . 116 GLU HB3 . 15789 1 834 . 1 1 94 94 GLU HG2 H 1 2.097 0.000 . 1 . . . . 116 GLU HG2 . 15789 1 835 . 1 1 94 94 GLU HG3 H 1 2.321 0.007 . 1 . . . . 116 GLU HG3 . 15789 1 836 . 1 1 94 94 GLU C C 13 177.916 0.000 . 1 . . . . 116 GLU C . 15789 1 837 . 1 1 94 94 GLU CA C 13 58.559 0.075 . 1 . . . . 116 GLU CA . 15789 1 838 . 1 1 94 94 GLU CB C 13 29.929 0.049 . 1 . . . . 116 GLU CB . 15789 1 839 . 1 1 94 94 GLU CG C 13 36.347 0.018 . 1 . . . . 116 GLU CG . 15789 1 840 . 1 1 94 94 GLU N N 15 120.317 0.042 . 1 . . . . 116 GLU N . 15789 1 841 . 1 1 95 95 LEU H H 1 7.978 0.004 . 1 . . . . 117 LEU H . 15789 1 842 . 1 1 95 95 LEU HA H 1 4.082 0.007 . 1 . . . . 117 LEU HA . 15789 1 843 . 1 1 95 95 LEU HB2 H 1 1.630 0.010 . 2 . . . . 117 LEU HB2 . 15789 1 844 . 1 1 95 95 LEU HB3 H 1 1.742 0.009 . 2 . . . . 117 LEU HB3 . 15789 1 845 . 1 1 95 95 LEU HD11 H 1 0.877 0.006 . 1 . . . . 117 LEU HD11 . 15789 1 846 . 1 1 95 95 LEU HD12 H 1 0.877 0.006 . 1 . . . . 117 LEU HD12 . 15789 1 847 . 1 1 95 95 LEU HD13 H 1 0.877 0.006 . 1 . . . . 117 LEU HD13 . 15789 1 848 . 1 1 95 95 LEU HD21 H 1 0.877 0.005 . 1 . . . . 117 LEU HD21 . 15789 1 849 . 1 1 95 95 LEU HD22 H 1 0.877 0.005 . 1 . . . . 117 LEU HD22 . 15789 1 850 . 1 1 95 95 LEU HD23 H 1 0.877 0.005 . 1 . . . . 117 LEU HD23 . 15789 1 851 . 1 1 95 95 LEU HG H 1 1.599 0.001 . 1 . . . . 117 LEU HG . 15789 1 852 . 1 1 95 95 LEU C C 13 178.294 0.000 . 1 . . . . 117 LEU C . 15789 1 853 . 1 1 95 95 LEU CA C 13 57.831 0.026 . 1 . . . . 117 LEU CA . 15789 1 854 . 1 1 95 95 LEU CB C 13 41.838 0.014 . 1 . . . . 117 LEU CB . 15789 1 855 . 1 1 95 95 LEU CD1 C 13 24.910 0.039 . 1 . . . . 117 LEU CD1 . 15789 1 856 . 1 1 95 95 LEU CD2 C 13 24.910 0.039 . 1 . . . . 117 LEU CD2 . 15789 1 857 . 1 1 95 95 LEU CG C 13 26.999 0.000 . 1 . . . . 117 LEU CG . 15789 1 858 . 1 1 95 95 LEU N N 15 121.092 0.017 . 1 . . . . 117 LEU N . 15789 1 859 . 1 1 96 96 ILE H H 1 8.008 0.011 . 1 . . . . 118 ILE H . 15789 1 860 . 1 1 96 96 ILE HA H 1 3.720 0.006 . 1 . . . . 118 ILE HA . 15789 1 861 . 1 1 96 96 ILE HB H 1 1.879 0.005 . 1 . . . . 118 ILE HB . 15789 1 862 . 1 1 96 96 ILE HD11 H 1 0.840 0.006 . 1 . . . . 118 ILE HD11 . 15789 1 863 . 1 1 96 96 ILE HD12 H 1 0.840 0.006 . 1 . . . . 118 ILE HD12 . 15789 1 864 . 1 1 96 96 ILE HD13 H 1 0.840 0.006 . 1 . . . . 118 ILE HD13 . 15789 1 865 . 1 1 96 96 ILE HG12 H 1 1.218 0.009 . 2 . . . . 118 ILE HG12 . 15789 1 866 . 1 1 96 96 ILE HG13 H 1 1.615 0.013 . 2 . . . . 118 ILE HG13 . 15789 1 867 . 1 1 96 96 ILE HG21 H 1 0.889 0.004 . 1 . . . . 118 ILE HG21 . 15789 1 868 . 1 1 96 96 ILE HG22 H 1 0.889 0.004 . 1 . . . . 118 ILE HG22 . 15789 1 869 . 1 1 96 96 ILE HG23 H 1 0.889 0.004 . 1 . . . . 118 ILE HG23 . 15789 1 870 . 1 1 96 96 ILE C C 13 178.383 0.000 . 1 . . . . 118 ILE C . 15789 1 871 . 1 1 96 96 ILE CA C 13 63.998 0.037 . 1 . . . . 118 ILE CA . 15789 1 872 . 1 1 96 96 ILE CB C 13 37.762 0.098 . 1 . . . . 118 ILE CB . 15789 1 873 . 1 1 96 96 ILE CD1 C 13 12.822 0.073 . 1 . . . . 118 ILE CD1 . 15789 1 874 . 1 1 96 96 ILE CG1 C 13 29.011 0.085 . 1 . . . . 118 ILE CG1 . 15789 1 875 . 1 1 96 96 ILE CG2 C 13 17.348 0.067 . 1 . . . . 118 ILE CG2 . 15789 1 876 . 1 1 96 96 ILE N N 15 118.548 0.035 . 1 . . . . 118 ILE N . 15789 1 877 . 1 1 97 97 ASN H H 1 7.655 0.012 . 1 . . . . 119 ASN H . 15789 1 878 . 1 1 97 97 ASN HA H 1 4.521 0.008 . 1 . . . . 119 ASN HA . 15789 1 879 . 1 1 97 97 ASN HB2 H 1 2.842 0.008 . 2 . . . . 119 ASN HB2 . 15789 1 880 . 1 1 97 97 ASN HB3 H 1 2.864 0.016 . 2 . . . . 119 ASN HB3 . 15789 1 881 . 1 1 97 97 ASN HD21 H 1 6.847 0.003 . 1 . . . . 119 ASN HD21 . 15789 1 882 . 1 1 97 97 ASN HD22 H 1 7.613 0.008 . 1 . . . . 119 ASN HD22 . 15789 1 883 . 1 1 97 97 ASN C C 13 177.466 0.000 . 1 . . . . 119 ASN C . 15789 1 884 . 1 1 97 97 ASN CA C 13 55.861 0.019 . 1 . . . . 119 ASN CA . 15789 1 885 . 1 1 97 97 ASN CB C 13 38.533 0.137 . 1 . . . . 119 ASN CB . 15789 1 886 . 1 1 97 97 ASN N N 15 118.098 0.035 . 1 . . . . 119 ASN N . 15789 1 887 . 1 1 97 97 ASN ND2 N 15 113.002 0.030 . 1 . . . . 119 ASN ND2 . 15789 1 888 . 1 1 98 98 ILE H H 1 8.021 0.010 . 1 . . . . 120 ILE H . 15789 1 889 . 1 1 98 98 ILE HA H 1 3.868 0.003 . 1 . . . . 120 ILE HA . 15789 1 890 . 1 1 98 98 ILE HB H 1 2.033 0.007 . 1 . . . . 120 ILE HB . 15789 1 891 . 1 1 98 98 ILE HD11 H 1 0.799 0.003 . 1 . . . . 120 ILE HD11 . 15789 1 892 . 1 1 98 98 ILE HD12 H 1 0.799 0.003 . 1 . . . . 120 ILE HD12 . 15789 1 893 . 1 1 98 98 ILE HD13 H 1 0.799 0.003 . 1 . . . . 120 ILE HD13 . 15789 1 894 . 1 1 98 98 ILE HG12 H 1 1.151 0.002 . 2 . . . . 120 ILE HG12 . 15789 1 895 . 1 1 98 98 ILE HG13 H 1 1.705 0.002 . 2 . . . . 120 ILE HG13 . 15789 1 896 . 1 1 98 98 ILE HG21 H 1 0.858 0.004 . 1 . . . . 120 ILE HG21 . 15789 1 897 . 1 1 98 98 ILE HG22 H 1 0.858 0.004 . 1 . . . . 120 ILE HG22 . 15789 1 898 . 1 1 98 98 ILE HG23 H 1 0.858 0.004 . 1 . . . . 120 ILE HG23 . 15789 1 899 . 1 1 98 98 ILE C C 13 178.121 0.000 . 1 . . . . 120 ILE C . 15789 1 900 . 1 1 98 98 ILE CA C 13 64.246 0.054 . 1 . . . . 120 ILE CA . 15789 1 901 . 1 1 98 98 ILE CB C 13 38.131 0.044 . 1 . . . . 120 ILE CB . 15789 1 902 . 1 1 98 98 ILE CD1 C 13 12.902 0.000 . 1 . . . . 120 ILE CD1 . 15789 1 903 . 1 1 98 98 ILE CG1 C 13 28.720 0.049 . 1 . . . . 120 ILE CG1 . 15789 1 904 . 1 1 98 98 ILE CG2 C 13 17.437 0.019 . 1 . . . . 120 ILE CG2 . 15789 1 905 . 1 1 98 98 ILE N N 15 121.458 0.009 . 1 . . . . 120 ILE N . 15789 1 906 . 1 1 99 99 ILE H H 1 8.281 0.004 . 1 . . . . 121 ILE H . 15789 1 907 . 1 1 99 99 ILE HA H 1 3.628 0.005 . 1 . . . . 121 ILE HA . 15789 1 908 . 1 1 99 99 ILE HB H 1 1.977 0.007 . 1 . . . . 121 ILE HB . 15789 1 909 . 1 1 99 99 ILE HD11 H 1 0.777 0.008 . 1 . . . . 121 ILE HD11 . 15789 1 910 . 1 1 99 99 ILE HD12 H 1 0.777 0.008 . 1 . . . . 121 ILE HD12 . 15789 1 911 . 1 1 99 99 ILE HD13 H 1 0.777 0.008 . 1 . . . . 121 ILE HD13 . 15789 1 912 . 1 1 99 99 ILE HG12 H 1 1.223 0.007 . 2 . . . . 121 ILE HG12 . 15789 1 913 . 1 1 99 99 ILE HG13 H 1 1.574 0.006 . 2 . . . . 121 ILE HG13 . 15789 1 914 . 1 1 99 99 ILE HG21 H 1 0.914 0.005 . 1 . . . . 121 ILE HG21 . 15789 1 915 . 1 1 99 99 ILE HG22 H 1 0.914 0.005 . 1 . . . . 121 ILE HG22 . 15789 1 916 . 1 1 99 99 ILE HG23 H 1 0.914 0.005 . 1 . . . . 121 ILE HG23 . 15789 1 917 . 1 1 99 99 ILE C C 13 178.500 0.000 . 1 . . . . 121 ILE C . 15789 1 918 . 1 1 99 99 ILE CA C 13 64.228 0.048 . 1 . . . . 121 ILE CA . 15789 1 919 . 1 1 99 99 ILE CB C 13 37.456 0.036 . 1 . . . . 121 ILE CB . 15789 1 920 . 1 1 99 99 ILE CD1 C 13 12.904 0.003 . 1 . . . . 121 ILE CD1 . 15789 1 921 . 1 1 99 99 ILE CG1 C 13 28.679 0.021 . 1 . . . . 121 ILE CG1 . 15789 1 922 . 1 1 99 99 ILE CG2 C 13 17.440 0.079 . 1 . . . . 121 ILE CG2 . 15789 1 923 . 1 1 99 99 ILE N N 15 121.642 0.011 . 1 . . . . 121 ILE N . 15789 1 924 . 1 1 100 100 ASP H H 1 8.448 0.015 . 1 . . . . 122 ASP H . 15789 1 925 . 1 1 100 100 ASP HA H 1 4.383 0.012 . 1 . . . . 122 ASP HA . 15789 1 926 . 1 1 100 100 ASP HB2 H 1 2.615 0.006 . 2 . . . . 122 ASP HB2 . 15789 1 927 . 1 1 100 100 ASP HB3 H 1 2.782 0.007 . 2 . . . . 122 ASP HB3 . 15789 1 928 . 1 1 100 100 ASP C C 13 177.060 0.000 . 1 . . . . 122 ASP C . 15789 1 929 . 1 1 100 100 ASP CA C 13 57.061 0.150 . 1 . . . . 122 ASP CA . 15789 1 930 . 1 1 100 100 ASP N N 15 119.766 0.037 . 1 . . . . 122 ASP N . 15789 1 931 . 1 1 101 101 GLY H H 1 7.842 0.004 . 1 . . . . 123 GLY H . 15789 1 932 . 1 1 101 101 GLY HA2 H 1 3.771 0.006 . 2 . . . . 123 GLY HA2 . 15789 1 933 . 1 1 101 101 GLY HA3 H 1 3.882 0.028 . 2 . . . . 123 GLY HA3 . 15789 1 934 . 1 1 101 101 GLY C C 13 178.910 0.000 . 1 . . . . 123 GLY C . 15789 1 935 . 1 1 101 101 GLY CA C 13 47.066 0.044 . 1 . . . . 123 GLY CA . 15789 1 936 . 1 1 101 101 GLY N N 15 107.143 0.018 . 1 . . . . 123 GLY N . 15789 1 937 . 1 1 102 102 VAL H H 1 7.929 0.007 . 1 . . . . 124 VAL H . 15789 1 938 . 1 1 102 102 VAL HA H 1 3.870 0.008 . 1 . . . . 124 VAL HA . 15789 1 939 . 1 1 102 102 VAL HB H 1 2.208 0.008 . 1 . . . . 124 VAL HB . 15789 1 940 . 1 1 102 102 VAL HG11 H 1 0.984 0.029 . 2 . . . . 124 VAL HG11 . 15789 1 941 . 1 1 102 102 VAL HG12 H 1 0.984 0.029 . 2 . . . . 124 VAL HG12 . 15789 1 942 . 1 1 102 102 VAL HG13 H 1 0.984 0.029 . 2 . . . . 124 VAL HG13 . 15789 1 943 . 1 1 102 102 VAL HG21 H 1 1.046 0.012 . 2 . . . . 124 VAL HG21 . 15789 1 944 . 1 1 102 102 VAL HG22 H 1 1.046 0.012 . 2 . . . . 124 VAL HG22 . 15789 1 945 . 1 1 102 102 VAL HG23 H 1 1.046 0.012 . 2 . . . . 124 VAL HG23 . 15789 1 946 . 1 1 102 102 VAL C C 13 175.144 0.000 . 1 . . . . 124 VAL C . 15789 1 947 . 1 1 102 102 VAL CB C 13 31.581 0.134 . 1 . . . . 124 VAL CB . 15789 1 948 . 1 1 102 102 VAL CG1 C 13 21.554 0.054 . 2 . . . . 124 VAL CG1 . 15789 1 949 . 1 1 102 102 VAL CG2 C 13 22.431 0.101 . 2 . . . . 124 VAL CG2 . 15789 1 950 . 1 1 102 102 VAL N N 15 123.215 0.045 . 1 . . . . 124 VAL N . 15789 1 951 . 1 1 103 103 LEU H H 1 8.251 0.007 . 1 . . . . 125 LEU H . 15789 1 952 . 1 1 103 103 LEU HA H 1 3.960 0.013 . 1 . . . . 125 LEU HA . 15789 1 953 . 1 1 103 103 LEU HB2 H 1 1.613 0.008 . 2 . . . . 125 LEU HB2 . 15789 1 954 . 1 1 103 103 LEU HB3 H 1 1.792 0.007 . 2 . . . . 125 LEU HB3 . 15789 1 955 . 1 1 103 103 LEU HD11 H 1 0.688 0.004 . 1 . . . . 125 LEU HD11 . 15789 1 956 . 1 1 103 103 LEU HD12 H 1 0.688 0.004 . 1 . . . . 125 LEU HD12 . 15789 1 957 . 1 1 103 103 LEU HD13 H 1 0.688 0.004 . 1 . . . . 125 LEU HD13 . 15789 1 958 . 1 1 103 103 LEU HD21 H 1 0.688 0.004 . 1 . . . . 125 LEU HD21 . 15789 1 959 . 1 1 103 103 LEU HD22 H 1 0.688 0.004 . 1 . . . . 125 LEU HD22 . 15789 1 960 . 1 1 103 103 LEU HD23 H 1 0.688 0.004 . 1 . . . . 125 LEU HD23 . 15789 1 961 . 1 1 103 103 LEU HG H 1 0.826 0.003 . 1 . . . . 125 LEU HG . 15789 1 962 . 1 1 103 103 LEU C C 13 178.183 0.000 . 1 . . . . 125 LEU C . 15789 1 963 . 1 1 103 103 LEU CA C 13 57.843 0.014 . 1 . . . . 125 LEU CA . 15789 1 964 . 1 1 103 103 LEU CB C 13 41.048 0.070 . 1 . . . . 125 LEU CB . 15789 1 965 . 1 1 103 103 LEU CD1 C 13 22.766 0.030 . 1 . . . . 125 LEU CD1 . 15789 1 966 . 1 1 103 103 LEU CD2 C 13 22.766 0.030 . 1 . . . . 125 LEU CD2 . 15789 1 967 . 1 1 103 103 LEU CG C 13 25.285 0.037 . 1 . . . . 125 LEU CG . 15789 1 968 . 1 1 103 103 LEU N N 15 119.953 0.010 . 1 . . . . 125 LEU N . 15789 1 969 . 1 1 104 104 ARG H H 1 7.974 0.011 . 1 . . . . 126 ARG H . 15789 1 970 . 1 1 104 104 ARG HA H 1 4.038 0.007 . 1 . . . . 126 ARG HA . 15789 1 971 . 1 1 104 104 ARG HB2 H 1 1.890 0.006 . 2 . . . . 126 ARG HB2 . 15789 1 972 . 1 1 104 104 ARG HB3 H 1 1.891 0.006 . 2 . . . . 126 ARG HB3 . 15789 1 973 . 1 1 104 104 ARG HD2 H 1 3.204 0.006 . 2 . . . . 126 ARG HD2 . 15789 1 974 . 1 1 104 104 ARG HD3 H 1 3.206 0.003 . 2 . . . . 126 ARG HD3 . 15789 1 975 . 1 1 104 104 ARG HG2 H 1 1.553 0.013 . 2 . . . . 126 ARG HG2 . 15789 1 976 . 1 1 104 104 ARG HG3 H 1 1.736 0.019 . 2 . . . . 126 ARG HG3 . 15789 1 977 . 1 1 104 104 ARG C C 13 178.909 0.000 . 1 . . . . 126 ARG C . 15789 1 978 . 1 1 104 104 ARG CA C 13 58.961 0.080 . 1 . . . . 126 ARG CA . 15789 1 979 . 1 1 104 104 ARG CB C 13 30.442 0.091 . 1 . . . . 126 ARG CB . 15789 1 980 . 1 1 104 104 ARG CD C 13 43.429 0.047 . 1 . . . . 126 ARG CD . 15789 1 981 . 1 1 104 104 ARG CG C 13 27.244 0.085 . 1 . . . . 126 ARG CG . 15789 1 982 . 1 1 104 104 ARG N N 15 118.342 0.042 . 1 . . . . 126 ARG N . 15789 1 983 . 1 1 105 105 ASP H H 1 8.054 0.020 . 1 . . . . 127 ASP H . 15789 1 984 . 1 1 105 105 ASP HA H 1 4.537 0.009 . 1 . . . . 127 ASP HA . 15789 1 985 . 1 1 105 105 ASP HB2 H 1 2.617 0.007 . 2 . . . . 127 ASP HB2 . 15789 1 986 . 1 1 105 105 ASP HB3 H 1 2.617 0.007 . 2 . . . . 127 ASP HB3 . 15789 1 987 . 1 1 105 105 ASP C C 13 178.464 0.000 . 1 . . . . 127 ASP C . 15789 1 988 . 1 1 105 105 ASP CA C 13 56.272 0.109 . 1 . . . . 127 ASP CA . 15789 1 989 . 1 1 105 105 ASP CB C 13 41.184 0.059 . 1 . . . . 127 ASP CB . 15789 1 990 . 1 1 105 105 ASP N N 15 116.712 0.030 . 1 . . . . 127 ASP N . 15789 1 991 . 1 1 106 106 ASP H H 1 8.445 0.012 . 1 . . . . 128 ASP H . 15789 1 992 . 1 1 106 106 ASP HA H 1 4.802 0.035 . 1 . . . . 128 ASP HA . 15789 1 993 . 1 1 106 106 ASP HB2 H 1 2.814 0.009 . 1 . . . . 128 ASP HB2 . 15789 1 994 . 1 1 106 106 ASP HB3 H 1 2.813 0.008 . 1 . . . . 128 ASP HB3 . 15789 1 995 . 1 1 106 106 ASP C C 13 177.665 0.000 . 1 . . . . 128 ASP C . 15789 1 996 . 1 1 106 106 ASP CA C 13 54.461 0.083 . 1 . . . . 128 ASP CA . 15789 1 997 . 1 1 106 106 ASP CB C 13 40.615 0.040 . 1 . . . . 128 ASP CB . 15789 1 998 . 1 1 106 106 ASP N N 15 115.741 0.043 . 1 . . . . 128 ASP N . 15789 1 999 . 1 1 107 107 ASP H H 1 7.691 0.010 . 1 . . . . 129 ASP H . 15789 1 1000 . 1 1 107 107 ASP HA H 1 4.720 0.014 . 1 . . . . 129 ASP HA . 15789 1 1001 . 1 1 107 107 ASP HB2 H 1 2.389 0.008 . 2 . . . . 129 ASP HB2 . 15789 1 1002 . 1 1 107 107 ASP HB3 H 1 3.270 0.013 . 2 . . . . 129 ASP HB3 . 15789 1 1003 . 1 1 107 107 ASP C C 13 176.284 0.000 . 1 . . . . 129 ASP C . 15789 1 1004 . 1 1 107 107 ASP CA C 13 53.082 0.014 . 1 . . . . 129 ASP CA . 15789 1 1005 . 1 1 107 107 ASP CB C 13 39.248 0.084 . 1 . . . . 129 ASP CB . 15789 1 1006 . 1 1 107 107 ASP N N 15 119.676 0.041 . 1 . . . . 129 ASP N . 15789 1 1007 . 1 1 108 108 LYS H H 1 7.822 0.011 . 1 . . . . 130 LYS H . 15789 1 1008 . 1 1 108 108 LYS HA H 1 4.115 0.007 . 1 . . . . 130 LYS HA . 15789 1 1009 . 1 1 108 108 LYS HB2 H 1 1.940 0.007 . 2 . . . . 130 LYS HB2 . 15789 1 1010 . 1 1 108 108 LYS HB3 H 1 1.941 0.007 . 2 . . . . 130 LYS HB3 . 15789 1 1011 . 1 1 108 108 LYS HD2 H 1 1.655 0.011 . 1 . . . . 130 LYS HD2 . 15789 1 1012 . 1 1 108 108 LYS HE2 H 1 3.048 0.019 . 1 . . . . 130 LYS HE2 . 15789 1 1013 . 1 1 108 108 LYS HG2 H 1 1.528 0.009 . 2 . . . . 130 LYS HG2 . 15789 1 1014 . 1 1 108 108 LYS HG3 H 1 1.604 0.019 . 2 . . . . 130 LYS HG3 . 15789 1 1015 . 1 1 108 108 LYS C C 13 177.209 0.000 . 1 . . . . 130 LYS C . 15789 1 1016 . 1 1 108 108 LYS CA C 13 57.380 0.093 . 1 . . . . 130 LYS CA . 15789 1 1017 . 1 1 108 108 LYS CB C 13 32.370 0.088 . 1 . . . . 130 LYS CB . 15789 1 1018 . 1 1 108 108 LYS CD C 13 29.136 0.058 . 1 . . . . 130 LYS CD . 15789 1 1019 . 1 1 108 108 LYS CE C 13 42.287 0.096 . 1 . . . . 130 LYS CE . 15789 1 1020 . 1 1 108 108 LYS CG C 13 24.497 0.121 . 1 . . . . 130 LYS CG . 15789 1 1021 . 1 1 108 108 LYS N N 15 125.548 0.047 . 1 . . . . 130 LYS N . 15789 1 1022 . 1 1 109 109 ASN H H 1 7.999 0.008 . 1 . . . . 131 ASN H . 15789 1 1023 . 1 1 109 109 ASN HA H 1 4.823 0.035 . 1 . . . . 131 ASN HA . 15789 1 1024 . 1 1 109 109 ASN HB2 H 1 2.788 0.011 . 2 . . . . 131 ASN HB2 . 15789 1 1025 . 1 1 109 109 ASN HB3 H 1 3.277 0.013 . 2 . . . . 131 ASN HB3 . 15789 1 1026 . 1 1 109 109 ASN HD21 H 1 6.617 0.004 . 1 . . . . 131 ASN HD21 . 15789 1 1027 . 1 1 109 109 ASN HD22 H 1 7.883 0.003 . 1 . . . . 131 ASN HD22 . 15789 1 1028 . 1 1 109 109 ASN C C 13 177.384 0.000 . 1 . . . . 131 ASN C . 15789 1 1029 . 1 1 109 109 ASN CA C 13 51.599 0.055 . 1 . . . . 131 ASN CA . 15789 1 1030 . 1 1 109 109 ASN CB C 13 36.980 0.032 . 1 . . . . 131 ASN CB . 15789 1 1031 . 1 1 109 109 ASN N N 15 113.557 0.034 . 1 . . . . 131 ASN N . 15789 1 1032 . 1 1 109 109 ASN ND2 N 15 113.021 0.047 . 1 . . . . 131 ASN ND2 . 15789 1 1033 . 1 1 110 110 ASN H H 1 7.694 0.000 . 1 . . . . 132 ASN H . 15789 1 1034 . 1 1 110 110 ASN HA H 1 4.374 0.006 . 1 . . . . 132 ASN HA . 15789 1 1035 . 1 1 110 110 ASN HB2 H 1 2.631 0.010 . 2 . . . . 132 ASN HB2 . 15789 1 1036 . 1 1 110 110 ASN HB3 H 1 3.041 0.008 . 2 . . . . 132 ASN HB3 . 15789 1 1037 . 1 1 110 110 ASN HD21 H 1 6.684 0.003 . 1 . . . . 132 ASN HD21 . 15789 1 1038 . 1 1 110 110 ASN HD22 H 1 7.484 0.002 . 1 . . . . 132 ASN HD22 . 15789 1 1039 . 1 1 110 110 ASN C C 13 174.780 0.000 . 1 . . . . 132 ASN C . 15789 1 1040 . 1 1 110 110 ASN CA C 13 54.974 0.051 . 1 . . . . 132 ASN CA . 15789 1 1041 . 1 1 110 110 ASN CB C 13 37.786 0.042 . 1 . . . . 132 ASN CB . 15789 1 1042 . 1 1 110 110 ASN N N 15 115.749 0.000 . 1 . . . . 132 ASN N . 15789 1 1043 . 1 1 110 110 ASN ND2 N 15 112.159 0.042 . 1 . . . . 132 ASN ND2 . 15789 1 1044 . 1 1 111 111 ASP H H 1 8.433 0.009 . 1 . . . . 133 ASP H . 15789 1 1045 . 1 1 111 111 ASP HA H 1 4.697 0.012 . 1 . . . . 133 ASP HA . 15789 1 1046 . 1 1 111 111 ASP HB2 H 1 2.517 0.008 . 2 . . . . 133 ASP HB2 . 15789 1 1047 . 1 1 111 111 ASP HB3 H 1 3.182 0.008 . 2 . . . . 133 ASP HB3 . 15789 1 1048 . 1 1 111 111 ASP C C 13 174.354 0.000 . 1 . . . . 133 ASP C . 15789 1 1049 . 1 1 111 111 ASP CA C 13 53.198 0.029 . 1 . . . . 133 ASP CA . 15789 1 1050 . 1 1 111 111 ASP CB C 13 40.964 0.002 . 1 . . . . 133 ASP CB . 15789 1 1051 . 1 1 111 111 ASP N N 15 117.106 0.028 . 1 . . . . 133 ASP N . 15789 1 1052 . 1 1 112 112 GLY H H 1 10.205 0.004 . 1 . . . . 134 GLY H . 15789 1 1053 . 1 1 112 112 GLY HA2 H 1 3.321 0.011 . 2 . . . . 134 GLY HA2 . 15789 1 1054 . 1 1 112 112 GLY HA3 H 1 3.904 0.009 . 2 . . . . 134 GLY HA3 . 15789 1 1055 . 1 1 112 112 GLY C C 13 177.324 0.000 . 1 . . . . 134 GLY C . 15789 1 1056 . 1 1 112 112 GLY CA C 13 45.290 0.034 . 1 . . . . 134 GLY CA . 15789 1 1057 . 1 1 112 112 GLY N N 15 112.523 0.029 . 1 . . . . 134 GLY N . 15789 1 1058 . 1 1 113 113 TYR H H 1 8.071 0.009 . 1 . . . . 135 TYR H . 15789 1 1059 . 1 1 113 113 TYR HA H 1 5.043 0.009 . 1 . . . . 135 TYR HA . 15789 1 1060 . 1 1 113 113 TYR HB2 H 1 2.667 0.001 . 2 . . . . 135 TYR HB2 . 15789 1 1061 . 1 1 113 113 TYR HB3 H 1 2.676 0.014 . 2 . . . . 135 TYR HB3 . 15789 1 1062 . 1 1 113 113 TYR HD1 H 1 6.696 0.014 . 3 . . . . 135 TYR HD1 . 15789 1 1063 . 1 1 113 113 TYR HD2 H 1 6.696 0.014 . 3 . . . . 135 TYR HD2 . 15789 1 1064 . 1 1 113 113 TYR HE1 H 1 6.814 0.011 . 3 . . . . 135 TYR HE1 . 15789 1 1065 . 1 1 113 113 TYR HE2 H 1 6.814 0.011 . 3 . . . . 135 TYR HE2 . 15789 1 1066 . 1 1 113 113 TYR C C 13 172.219 0.000 . 1 . . . . 135 TYR C . 15789 1 1067 . 1 1 113 113 TYR CA C 13 55.478 0.068 . 1 . . . . 135 TYR CA . 15789 1 1068 . 1 1 113 113 TYR CB C 13 44.050 0.083 . 1 . . . . 135 TYR CB . 15789 1 1069 . 1 1 113 113 TYR CD1 C 13 134.242 0.054 . 3 . . . . 135 TYR CD1 . 15789 1 1070 . 1 1 113 113 TYR CD2 C 13 134.242 0.054 . 3 . . . . 135 TYR CD2 . 15789 1 1071 . 1 1 113 113 TYR CE1 C 13 117.725 0.054 . 3 . . . . 135 TYR CE1 . 15789 1 1072 . 1 1 113 113 TYR CE2 C 13 117.725 0.054 . 3 . . . . 135 TYR CE2 . 15789 1 1073 . 1 1 113 113 TYR N N 15 116.095 0.062 . 1 . . . . 135 TYR N . 15789 1 1074 . 1 1 114 114 ILE H H 1 9.409 0.021 . 1 . . . . 136 ILE H . 15789 1 1075 . 1 1 114 114 ILE HA H 1 5.384 0.010 . 1 . . . . 136 ILE HA . 15789 1 1076 . 1 1 114 114 ILE HB H 1 2.242 0.012 . 1 . . . . 136 ILE HB . 15789 1 1077 . 1 1 114 114 ILE HD11 H 1 0.715 0.017 . 1 . . . . 136 ILE HD11 . 15789 1 1078 . 1 1 114 114 ILE HD12 H 1 0.715 0.017 . 1 . . . . 136 ILE HD12 . 15789 1 1079 . 1 1 114 114 ILE HD13 H 1 0.715 0.017 . 1 . . . . 136 ILE HD13 . 15789 1 1080 . 1 1 114 114 ILE HG12 H 1 1.346 0.004 . 2 . . . . 136 ILE HG12 . 15789 1 1081 . 1 1 114 114 ILE HG13 H 1 1.498 0.007 . 2 . . . . 136 ILE HG13 . 15789 1 1082 . 1 1 114 114 ILE HG21 H 1 1.222 0.005 . 1 . . . . 136 ILE HG21 . 15789 1 1083 . 1 1 114 114 ILE HG22 H 1 1.222 0.005 . 1 . . . . 136 ILE HG22 . 15789 1 1084 . 1 1 114 114 ILE HG23 H 1 1.222 0.005 . 1 . . . . 136 ILE HG23 . 15789 1 1085 . 1 1 114 114 ILE C C 13 175.583 0.000 . 1 . . . . 136 ILE C . 15789 1 1086 . 1 1 114 114 ILE CA C 13 57.209 0.063 . 1 . . . . 136 ILE CA . 15789 1 1087 . 1 1 114 114 ILE CB C 13 37.518 0.083 . 1 . . . . 136 ILE CB . 15789 1 1088 . 1 1 114 114 ILE CD1 C 13 10.273 0.051 . 1 . . . . 136 ILE CD1 . 15789 1 1089 . 1 1 114 114 ILE CG1 C 13 27.108 0.060 . 1 . . . . 136 ILE CG1 . 15789 1 1090 . 1 1 114 114 ILE CG2 C 13 17.646 0.020 . 1 . . . . 136 ILE CG2 . 15789 1 1091 . 1 1 114 114 ILE N N 15 125.211 0.054 . 1 . . . . 136 ILE N . 15789 1 1092 . 1 1 115 115 ASP H H 1 9.072 0.020 . 1 . . . . 137 ASP H . 15789 1 1093 . 1 1 115 115 ASP HA H 1 5.150 0.010 . 1 . . . . 137 ASP HA . 15789 1 1094 . 1 1 115 115 ASP HB2 H 1 2.683 0.008 . 2 . . . . 137 ASP HB2 . 15789 1 1095 . 1 1 115 115 ASP HB3 H 1 3.318 0.007 . 2 . . . . 137 ASP HB3 . 15789 1 1096 . 1 1 115 115 ASP C C 13 176.028 0.000 . 1 . . . . 137 ASP C . 15789 1 1097 . 1 1 115 115 ASP CA C 13 52.190 0.098 . 1 . . . . 137 ASP CA . 15789 1 1098 . 1 1 115 115 ASP CB C 13 41.664 0.076 . 1 . . . . 137 ASP CB . 15789 1 1099 . 1 1 115 115 ASP N N 15 128.765 0.020 . 1 . . . . 137 ASP N . 15789 1 1100 . 1 1 116 116 TYR H H 1 8.775 0.020 . 1 . . . . 138 TYR H . 15789 1 1101 . 1 1 116 116 TYR HA H 1 3.295 0.003 . 1 . . . . 138 TYR HA . 15789 1 1102 . 1 1 116 116 TYR HB2 H 1 1.975 0.001 . 2 . . . . 138 TYR HB2 . 15789 1 1103 . 1 1 116 116 TYR HB3 H 1 2.381 0.001 . 2 . . . . 138 TYR HB3 . 15789 1 1104 . 1 1 116 116 TYR HD1 H 1 6.528 0.010 . 3 . . . . 138 TYR HD1 . 15789 1 1105 . 1 1 116 116 TYR HD2 H 1 6.528 0.010 . 3 . . . . 138 TYR HD2 . 15789 1 1106 . 1 1 116 116 TYR HE1 H 1 6.632 0.007 . 3 . . . . 138 TYR HE1 . 15789 1 1107 . 1 1 116 116 TYR HE2 H 1 6.632 0.007 . 3 . . . . 138 TYR HE2 . 15789 1 1108 . 1 1 116 116 TYR C C 13 175.639 0.000 . 1 . . . . 138 TYR C . 15789 1 1109 . 1 1 116 116 TYR CA C 13 62.402 0.045 . 1 . . . . 138 TYR CA . 15789 1 1110 . 1 1 116 116 TYR CB C 13 37.551 0.018 . 1 . . . . 138 TYR CB . 15789 1 1111 . 1 1 116 116 TYR CD1 C 13 132.856 0.048 . 3 . . . . 138 TYR CD1 . 15789 1 1112 . 1 1 116 116 TYR CD2 C 13 132.856 0.048 . 3 . . . . 138 TYR CD2 . 15789 1 1113 . 1 1 116 116 TYR CE1 C 13 118.049 0.061 . 3 . . . . 138 TYR CE1 . 15789 1 1114 . 1 1 116 116 TYR CE2 C 13 118.049 0.061 . 3 . . . . 138 TYR CE2 . 15789 1 1115 . 1 1 116 116 TYR N N 15 119.028 0.052 . 1 . . . . 138 TYR N . 15789 1 1116 . 1 1 117 117 ALA H H 1 7.837 0.014 . 1 . . . . 139 ALA H . 15789 1 1117 . 1 1 117 117 ALA HA H 1 3.790 0.006 . 1 . . . . 139 ALA HA . 15789 1 1118 . 1 1 117 117 ALA HB1 H 1 1.400 0.019 . 1 . . . . 139 ALA HB1 . 15789 1 1119 . 1 1 117 117 ALA HB2 H 1 1.400 0.019 . 1 . . . . 139 ALA HB2 . 15789 1 1120 . 1 1 117 117 ALA HB3 H 1 1.400 0.019 . 1 . . . . 139 ALA HB3 . 15789 1 1121 . 1 1 117 117 ALA CA C 13 55.059 0.053 . 1 . . . . 139 ALA CA . 15789 1 1122 . 1 1 117 117 ALA CB C 13 17.799 0.067 . 1 . . . . 139 ALA CB . 15789 1 1123 . 1 1 117 117 ALA N N 15 121.191 0.036 . 1 . . . . 139 ALA N . 15789 1 1124 . 1 1 118 118 GLU H H 1 8.646 0.020 . 1 . . . . 140 GLU H . 15789 1 1125 . 1 1 118 118 GLU HA H 1 4.024 0.013 . 1 . . . . 140 GLU HA . 15789 1 1126 . 1 1 118 118 GLU HB2 H 1 2.171 0.011 . 2 . . . . 140 GLU HB2 . 15789 1 1127 . 1 1 118 118 GLU HB3 H 1 2.325 0.007 . 2 . . . . 140 GLU HB3 . 15789 1 1128 . 1 1 118 118 GLU C C 13 167.823 0.000 . 1 . . . . 140 GLU C . 15789 1 1129 . 1 1 118 118 GLU CA C 13 58.302 0.057 . 1 . . . . 140 GLU CA . 15789 1 1130 . 1 1 118 118 GLU CB C 13 30.223 0.131 . 1 . . . . 140 GLU CB . 15789 1 1131 . 1 1 118 118 GLU N N 15 119.453 0.038 . 1 . . . . 140 GLU N . 15789 1 1132 . 1 1 119 119 PHE H H 1 8.953 0.010 . 1 . . . . 141 PHE H . 15789 1 1133 . 1 1 119 119 PHE HA H 1 4.030 0.006 . 1 . . . . 141 PHE HA . 15789 1 1134 . 1 1 119 119 PHE HB2 H 1 3.165 0.009 . 2 . . . . 141 PHE HB2 . 15789 1 1135 . 1 1 119 119 PHE HB3 H 1 3.267 0.009 . 2 . . . . 141 PHE HB3 . 15789 1 1136 . 1 1 119 119 PHE HD1 H 1 7.093 0.007 . 3 . . . . 141 PHE HD1 . 15789 1 1137 . 1 1 119 119 PHE HD2 H 1 7.093 0.007 . 3 . . . . 141 PHE HD2 . 15789 1 1138 . 1 1 119 119 PHE HE1 H 1 7.339 0.000 . 3 . . . . 141 PHE HE1 . 15789 1 1139 . 1 1 119 119 PHE HE2 H 1 7.339 0.000 . 3 . . . . 141 PHE HE2 . 15789 1 1140 . 1 1 119 119 PHE C C 13 179.404 0.000 . 1 . . . . 141 PHE C . 15789 1 1141 . 1 1 119 119 PHE CA C 13 60.545 0.036 . 1 . . . . 141 PHE CA . 15789 1 1142 . 1 1 119 119 PHE CB C 13 40.075 0.056 . 1 . . . . 141 PHE CB . 15789 1 1143 . 1 1 119 119 PHE CD1 C 13 131.877 0.096 . 3 . . . . 141 PHE CD1 . 15789 1 1144 . 1 1 119 119 PHE CD2 C 13 131.877 0.096 . 3 . . . . 141 PHE CD2 . 15789 1 1145 . 1 1 119 119 PHE CE1 C 13 131.337 0.000 . 3 . . . . 141 PHE CE1 . 15789 1 1146 . 1 1 119 119 PHE CE2 C 13 131.337 0.000 . 3 . . . . 141 PHE CE2 . 15789 1 1147 . 1 1 119 119 PHE N N 15 122.632 0.049 . 1 . . . . 141 PHE N . 15789 1 1148 . 1 1 120 120 ALA HA H 1 3.615 0.008 . 1 . . . . 142 ALA HA . 15789 1 1149 . 1 1 120 120 ALA HB1 H 1 1.083 0.005 . 1 . . . . 142 ALA HB1 . 15789 1 1150 . 1 1 120 120 ALA HB2 H 1 1.083 0.005 . 1 . . . . 142 ALA HB2 . 15789 1 1151 . 1 1 120 120 ALA HB3 H 1 1.083 0.005 . 1 . . . . 142 ALA HB3 . 15789 1 1152 . 1 1 120 120 ALA C C 13 177.423 0.000 . 1 . . . . 142 ALA C . 15789 1 1153 . 1 1 120 120 ALA CA C 13 54.710 0.050 . 1 . . . . 142 ALA CA . 15789 1 1154 . 1 1 120 120 ALA CB C 13 17.748 0.174 . 1 . . . . 142 ALA CB . 15789 1 1155 . 1 1 121 121 LYS H H 1 7.513 0.011 . 1 . . . . 143 LYS H . 15789 1 1156 . 1 1 121 121 LYS HA H 1 3.999 0.002 . 1 . . . . 143 LYS HA . 15789 1 1157 . 1 1 121 121 LYS HB2 H 1 1.866 0.009 . 1 . . . . 143 LYS HB2 . 15789 1 1158 . 1 1 121 121 LYS HD2 H 1 1.661 0.003 . 1 . . . . 143 LYS HD2 . 15789 1 1159 . 1 1 121 121 LYS HD3 H 1 1.661 0.003 . 1 . . . . 143 LYS HD3 . 15789 1 1160 . 1 1 121 121 LYS HE3 H 1 2.966 0.005 . 1 . . . . 143 LYS HE3 . 15789 1 1161 . 1 1 121 121 LYS HG2 H 1 1.453 0.007 . 1 . . . . 143 LYS HG2 . 15789 1 1162 . 1 1 121 121 LYS HG3 H 1 1.453 0.007 . 1 . . . . 143 LYS HG3 . 15789 1 1163 . 1 1 121 121 LYS C C 13 180.093 0.000 . 1 . . . . 143 LYS C . 15789 1 1164 . 1 1 121 121 LYS N N 15 116.791 0.019 . 1 . . . . 143 LYS N . 15789 1 1165 . 1 1 122 122 SER H H 1 7.739 0.019 . 1 . . . . 144 SER H . 15789 1 1166 . 1 1 122 122 SER HA H 1 4.276 0.006 . 1 . . . . 144 SER HA . 15789 1 1167 . 1 1 122 122 SER HB2 H 1 3.775 0.008 . 2 . . . . 144 SER HB2 . 15789 1 1168 . 1 1 122 122 SER HB3 H 1 3.817 0.033 . 2 . . . . 144 SER HB3 . 15789 1 1169 . 1 1 122 122 SER C C 13 178.277 0.000 . 1 . . . . 144 SER C . 15789 1 1170 . 1 1 122 122 SER CA C 13 60.292 0.026 . 1 . . . . 144 SER CA . 15789 1 1171 . 1 1 122 122 SER CB C 13 63.710 0.094 . 1 . . . . 144 SER CB . 15789 1 1172 . 1 1 122 122 SER N N 15 115.318 0.048 . 1 . . . . 144 SER N . 15789 1 1173 . 1 1 123 123 LEU H H 1 7.195 0.008 . 1 . . . . 145 LEU H . 15789 1 1174 . 1 1 123 123 LEU HA H 1 4.228 0.005 . 1 . . . . 145 LEU HA . 15789 1 1175 . 1 1 123 123 LEU HB2 H 1 1.436 0.008 . 2 . . . . 145 LEU HB2 . 15789 1 1176 . 1 1 123 123 LEU HB3 H 1 1.478 0.007 . 2 . . . . 145 LEU HB3 . 15789 1 1177 . 1 1 123 123 LEU HD11 H 1 0.500 0.006 . 2 . . . . 145 LEU HD11 . 15789 1 1178 . 1 1 123 123 LEU HD12 H 1 0.500 0.006 . 2 . . . . 145 LEU HD12 . 15789 1 1179 . 1 1 123 123 LEU HD13 H 1 0.500 0.006 . 2 . . . . 145 LEU HD13 . 15789 1 1180 . 1 1 123 123 LEU HD21 H 1 0.547 0.010 . 2 . . . . 145 LEU HD21 . 15789 1 1181 . 1 1 123 123 LEU HD22 H 1 0.547 0.010 . 2 . . . . 145 LEU HD22 . 15789 1 1182 . 1 1 123 123 LEU HD23 H 1 0.547 0.010 . 2 . . . . 145 LEU HD23 . 15789 1 1183 . 1 1 123 123 LEU HG H 1 1.314 0.029 . 1 . . . . 145 LEU HG . 15789 1 1184 . 1 1 123 123 LEU C C 13 174.580 0.000 . 1 . . . . 145 LEU C . 15789 1 1185 . 1 1 123 123 LEU CA C 13 54.827 0.065 . 1 . . . . 145 LEU CA . 15789 1 1186 . 1 1 123 123 LEU CB C 13 42.130 0.088 . 1 . . . . 145 LEU CB . 15789 1 1187 . 1 1 123 123 LEU CD1 C 13 25.472 0.055 . 2 . . . . 145 LEU CD1 . 15789 1 1188 . 1 1 123 123 LEU CD2 C 13 22.738 0.086 . 2 . . . . 145 LEU CD2 . 15789 1 1189 . 1 1 123 123 LEU CG C 13 26.094 0.079 . 1 . . . . 145 LEU CG . 15789 1 1190 . 1 1 123 123 LEU N N 15 121.704 0.021 . 1 . . . . 145 LEU N . 15789 1 1191 . 1 1 124 124 GLN H H 1 7.343 0.006 . 1 . . . . 146 GLN H . 15789 1 1192 . 1 1 124 124 GLN HA H 1 4.026 0.005 . 1 . . . . 146 GLN HA . 15789 1 1193 . 1 1 124 124 GLN HB2 H 1 1.940 0.010 . 2 . . . . 146 GLN HB2 . 15789 1 1194 . 1 1 124 124 GLN HB3 H 1 2.082 0.007 . 2 . . . . 146 GLN HB3 . 15789 1 1195 . 1 1 124 124 GLN HE21 H 1 6.729 0.003 . 1 . . . . 146 GLN HE21 . 15789 1 1196 . 1 1 124 124 GLN HE22 H 1 7.383 0.001 . 1 . . . . 146 GLN HE22 . 15789 1 1197 . 1 1 124 124 GLN HG2 H 1 2.328 0.010 . 1 . . . . 146 GLN HG2 . 15789 1 1198 . 1 1 124 124 GLN C C 13 176.433 0.000 . 1 . . . . 146 GLN C . 15789 1 1199 . 1 1 124 124 GLN CA C 13 57.624 0.076 . 1 . . . . 146 GLN CA . 15789 1 1200 . 1 1 124 124 GLN CB C 13 30.038 0.055 . 1 . . . . 146 GLN CB . 15789 1 1201 . 1 1 124 124 GLN CG C 13 29.493 0.089 . 1 . . . . 146 GLN CG . 15789 1 1202 . 1 1 124 124 GLN N N 15 124.395 0.015 . 1 . . . . 146 GLN N . 15789 1 1203 . 1 1 124 124 GLN NE2 N 15 111.884 0.022 . 1 . . . . 146 GLN NE2 . 15789 1 stop_ save_ ################################### # 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_MCFD2_D2O_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode MCFD2_D2O_chemical_shifts _Assigned_chem_shift_list.Entry_ID 15789 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_D2O_samples _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 'Errors for each shift (from CCPN analysis) are given in the deposited file.' _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 11 '3D 13C-edited NOESY' . . . 15789 2 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 . . 15789 2 2 $CcpNMR_Analysis . . 15789 2 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 7 7 PRO HD2 H 1 3.502 0.003 . 2 . . . . 29 PRO HD2 . 15789 2 2 . 1 1 7 7 PRO HD3 H 1 3.592 0.001 . 2 . . . . 29 PRO HD3 . 15789 2 3 . 1 1 7 7 PRO CD C 13 50.106 0.017 . 1 . . . . 29 PRO CD . 15789 2 4 . 1 1 8 8 ALA HA H 1 4.242 0.000 . 1 . . . . 30 ALA HA . 15789 2 5 . 1 1 8 8 ALA HB1 H 1 1.367 0.002 . 1 . . . . 30 ALA HB1 . 15789 2 6 . 1 1 8 8 ALA HB2 H 1 1.367 0.002 . 1 . . . . 30 ALA HB2 . 15789 2 7 . 1 1 8 8 ALA HB3 H 1 1.367 0.002 . 1 . . . . 30 ALA HB3 . 15789 2 8 . 1 1 8 8 ALA CB C 13 19.238 0.069 . 1 . . . . 30 ALA CB . 15789 2 9 . 1 1 9 9 ALA HA H 1 4.287 0.001 . 1 . . . . 31 ALA HA . 15789 2 10 . 1 1 9 9 ALA HB1 H 1 1.359 0.009 . 1 . . . . 31 ALA HB1 . 15789 2 11 . 1 1 9 9 ALA HB2 H 1 1.359 0.009 . 1 . . . . 31 ALA HB2 . 15789 2 12 . 1 1 9 9 ALA HB3 H 1 1.359 0.009 . 1 . . . . 31 ALA HB3 . 15789 2 13 . 1 1 9 9 ALA CA C 13 52.458 0.000 . 1 . . . . 31 ALA CA . 15789 2 14 . 1 1 9 9 ALA CB C 13 19.169 0.006 . 1 . . . . 31 ALA CB . 15789 2 15 . 1 1 11 11 PHE HA H 1 4.675 0.004 . 1 . . . . 33 PHE HA . 15789 2 16 . 1 1 11 11 PHE HB2 H 1 3.052 0.000 . 2 . . . . 33 PHE HB2 . 15789 2 17 . 1 1 11 11 PHE HB3 H 1 3.169 0.000 . 2 . . . . 33 PHE HB3 . 15789 2 18 . 1 1 11 11 PHE CA C 13 57.575 0.019 . 1 . . . . 33 PHE CA . 15789 2 19 . 1 1 13 13 GLN HA H 1 4.617 0.001 . 1 . . . . 35 GLN HA . 15789 2 20 . 1 1 13 13 GLN HB2 H 1 1.947 0.000 . 2 . . . . 35 GLN HB2 . 15789 2 21 . 1 1 13 13 GLN HB3 H 1 2.107 0.000 . 2 . . . . 35 GLN HB3 . 15789 2 22 . 1 1 13 13 GLN HG2 H 1 2.385 0.000 . 1 . . . . 35 GLN HG2 . 15789 2 23 . 1 1 13 13 GLN CA C 13 53.685 0.021 . 1 . . . . 35 GLN CA . 15789 2 24 . 1 1 14 14 PRO HA H 1 4.413 0.004 . 1 . . . . 36 PRO HA . 15789 2 25 . 1 1 14 14 PRO HB2 H 1 1.963 0.007 . 2 . . . . 36 PRO HB2 . 15789 2 26 . 1 1 14 14 PRO HB3 H 1 2.311 0.004 . 2 . . . . 36 PRO HB3 . 15789 2 27 . 1 1 14 14 PRO HD2 H 1 3.704 0.002 . 2 . . . . 36 PRO HD2 . 15789 2 28 . 1 1 14 14 PRO HD3 H 1 3.817 0.002 . 2 . . . . 36 PRO HD3 . 15789 2 29 . 1 1 14 14 PRO HG2 H 1 2.081 0.001 . 1 . . . . 36 PRO HG2 . 15789 2 30 . 1 1 14 14 PRO CA C 13 63.194 0.000 . 1 . . . . 36 PRO CA . 15789 2 31 . 1 1 14 14 PRO CB C 13 32.110 0.055 . 1 . . . . 36 PRO CB . 15789 2 32 . 1 1 14 14 PRO CD C 13 50.642 0.036 . 1 . . . . 36 PRO CD . 15789 2 33 . 1 1 14 14 PRO CG C 13 27.566 0.084 . 1 . . . . 36 PRO CG . 15789 2 34 . 1 1 23 23 THR HA H 1 4.320 0.004 . 1 . . . . 45 THR HA . 15789 2 35 . 1 1 23 23 THR HB H 1 4.187 0.004 . 1 . . . . 45 THR HB . 15789 2 36 . 1 1 23 23 THR HG21 H 1 1.136 0.005 . 1 . . . . 45 THR HG21 . 15789 2 37 . 1 1 23 23 THR HG22 H 1 1.136 0.005 . 1 . . . . 45 THR HG22 . 15789 2 38 . 1 1 23 23 THR HG23 H 1 1.136 0.005 . 1 . . . . 45 THR HG23 . 15789 2 39 . 1 1 23 23 THR CA C 13 61.940 0.001 . 1 . . . . 45 THR CA . 15789 2 40 . 1 1 23 23 THR CB C 13 69.768 0.004 . 1 . . . . 45 THR CB . 15789 2 41 . 1 1 23 23 THR CG2 C 13 21.597 0.013 . 1 . . . . 45 THR CG2 . 15789 2 42 . 1 1 30 30 ILE HA H 1 4.063 0.003 . 1 . . . . 52 ILE HA . 15789 2 43 . 1 1 30 30 ILE HB H 1 1.828 0.002 . 1 . . . . 52 ILE HB . 15789 2 44 . 1 1 30 30 ILE HD11 H 1 0.824 0.004 . 1 . . . . 52 ILE HD11 . 15789 2 45 . 1 1 30 30 ILE HD12 H 1 0.824 0.004 . 1 . . . . 52 ILE HD12 . 15789 2 46 . 1 1 30 30 ILE HD13 H 1 0.824 0.004 . 1 . . . . 52 ILE HD13 . 15789 2 47 . 1 1 30 30 ILE HG12 H 1 1.114 0.021 . 2 . . . . 52 ILE HG12 . 15789 2 48 . 1 1 30 30 ILE HG13 H 1 1.406 0.020 . 2 . . . . 52 ILE HG13 . 15789 2 49 . 1 1 30 30 ILE HG21 H 1 0.851 0.001 . 1 . . . . 52 ILE HG21 . 15789 2 50 . 1 1 30 30 ILE HG22 H 1 0.851 0.001 . 1 . . . . 52 ILE HG22 . 15789 2 51 . 1 1 30 30 ILE HG23 H 1 0.851 0.001 . 1 . . . . 52 ILE HG23 . 15789 2 52 . 1 1 30 30 ILE CA C 13 61.453 0.095 . 1 . . . . 52 ILE CA . 15789 2 53 . 1 1 30 30 ILE CB C 13 38.264 0.047 . 1 . . . . 52 ILE CB . 15789 2 54 . 1 1 30 30 ILE CD1 C 13 13.035 0.051 . 1 . . . . 52 ILE CD1 . 15789 2 55 . 1 1 30 30 ILE CG1 C 13 27.388 0.055 . 1 . . . . 52 ILE CG1 . 15789 2 56 . 1 1 30 30 ILE CG2 C 13 17.455 0.072 . 1 . . . . 52 ILE CG2 . 15789 2 57 . 1 1 37 37 VAL HA H 1 4.091 0.001 . 1 . . . . 59 VAL HA . 15789 2 58 . 1 1 37 37 VAL HB H 1 2.063 0.001 . 1 . . . . 59 VAL HB . 15789 2 59 . 1 1 37 37 VAL HG11 H 1 0.906 0.007 . 2 . . . . 59 VAL HG11 . 15789 2 60 . 1 1 37 37 VAL HG12 H 1 0.906 0.007 . 2 . . . . 59 VAL HG12 . 15789 2 61 . 1 1 37 37 VAL HG13 H 1 0.906 0.007 . 2 . . . . 59 VAL HG13 . 15789 2 62 . 1 1 37 37 VAL HG21 H 1 0.910 0.009 . 2 . . . . 59 VAL HG21 . 15789 2 63 . 1 1 37 37 VAL HG22 H 1 0.910 0.009 . 2 . . . . 59 VAL HG22 . 15789 2 64 . 1 1 37 37 VAL HG23 H 1 0.910 0.009 . 2 . . . . 59 VAL HG23 . 15789 2 65 . 1 1 37 37 VAL CA C 13 62.443 0.012 . 1 . . . . 59 VAL CA . 15789 2 66 . 1 1 37 37 VAL CB C 13 32.645 0.063 . 1 . . . . 59 VAL CB . 15789 2 67 . 1 1 37 37 VAL CG1 C 13 21.193 0.000 . 2 . . . . 59 VAL CG1 . 15789 2 68 . 1 1 37 37 VAL CG2 C 13 20.814 0.022 . 2 . . . . 59 VAL CG2 . 15789 2 69 . 1 1 38 38 ILE HA H 1 4.154 0.003 . 1 . . . . 60 ILE HA . 15789 2 70 . 1 1 38 38 ILE HB H 1 1.850 0.001 . 1 . . . . 60 ILE HB . 15789 2 71 . 1 1 38 38 ILE HD11 H 1 0.836 0.006 . 1 . . . . 60 ILE HD11 . 15789 2 72 . 1 1 38 38 ILE HD12 H 1 0.836 0.006 . 1 . . . . 60 ILE HD12 . 15789 2 73 . 1 1 38 38 ILE HD13 H 1 0.836 0.006 . 1 . . . . 60 ILE HD13 . 15789 2 74 . 1 1 38 38 ILE HG12 H 1 1.164 0.015 . 2 . . . . 60 ILE HG12 . 15789 2 75 . 1 1 38 38 ILE HG13 H 1 1.453 0.014 . 2 . . . . 60 ILE HG13 . 15789 2 76 . 1 1 38 38 ILE HG21 H 1 0.874 0.005 . 1 . . . . 60 ILE HG21 . 15789 2 77 . 1 1 38 38 ILE HG22 H 1 0.874 0.005 . 1 . . . . 60 ILE HG22 . 15789 2 78 . 1 1 38 38 ILE HG23 H 1 0.874 0.005 . 1 . . . . 60 ILE HG23 . 15789 2 79 . 1 1 38 38 ILE CA C 13 60.951 0.037 . 1 . . . . 60 ILE CA . 15789 2 80 . 1 1 38 38 ILE CB C 13 38.654 0.045 . 1 . . . . 60 ILE CB . 15789 2 81 . 1 1 38 38 ILE CD1 C 13 12.950 0.040 . 1 . . . . 60 ILE CD1 . 15789 2 82 . 1 1 38 38 ILE CG1 C 13 27.342 0.059 . 1 . . . . 60 ILE CG1 . 15789 2 83 . 1 1 38 38 ILE CG2 C 13 17.514 0.040 . 1 . . . . 60 ILE CG2 . 15789 2 84 . 1 1 39 39 ASN HA H 1 4.719 0.003 . 1 . . . . 61 ASN HA . 15789 2 85 . 1 1 39 39 ASN HB2 H 1 2.680 0.002 . 2 . . . . 61 ASN HB2 . 15789 2 86 . 1 1 39 39 ASN HB3 H 1 2.774 0.002 . 2 . . . . 61 ASN HB3 . 15789 2 87 . 1 1 39 39 ASN CA C 13 52.962 0.086 . 1 . . . . 61 ASN CA . 15789 2 88 . 1 1 39 39 ASN CB C 13 38.815 0.019 . 1 . . . . 61 ASN CB . 15789 2 89 . 1 1 40 40 LYS HA H 1 4.574 0.004 . 1 . . . . 62 LYS HA . 15789 2 90 . 1 1 40 40 LYS HB2 H 1 1.656 0.005 . 2 . . . . 62 LYS HB2 . 15789 2 91 . 1 1 40 40 LYS HB3 H 1 1.759 0.007 . 2 . . . . 62 LYS HB3 . 15789 2 92 . 1 1 40 40 LYS HD2 H 1 1.644 0.001 . 1 . . . . 62 LYS HD2 . 15789 2 93 . 1 1 40 40 LYS HD3 H 1 1.644 0.001 . 1 . . . . 62 LYS HD3 . 15789 2 94 . 1 1 40 40 LYS HE2 H 1 2.935 0.003 . 1 . . . . 62 LYS HE2 . 15789 2 95 . 1 1 40 40 LYS HE3 H 1 2.935 0.003 . 1 . . . . 62 LYS HE3 . 15789 2 96 . 1 1 40 40 LYS HG2 H 1 1.399 0.003 . 1 . . . . 62 LYS HG2 . 15789 2 97 . 1 1 40 40 LYS HG3 H 1 1.399 0.003 . 1 . . . . 62 LYS HG3 . 15789 2 98 . 1 1 40 40 LYS CA C 13 54.279 0.026 . 1 . . . . 62 LYS CA . 15789 2 99 . 1 1 40 40 LYS CB C 13 32.921 0.027 . 1 . . . . 62 LYS CB . 15789 2 100 . 1 1 40 40 LYS CD C 13 29.346 0.024 . 1 . . . . 62 LYS CD . 15789 2 101 . 1 1 40 40 LYS CE C 13 41.826 0.019 . 1 . . . . 62 LYS CE . 15789 2 102 . 1 1 40 40 LYS CG C 13 24.385 0.046 . 1 . . . . 62 LYS CG . 15789 2 103 . 1 1 41 41 PRO HA H 1 4.382 0.004 . 1 . . . . 63 PRO HA . 15789 2 104 . 1 1 41 41 PRO HB2 H 1 1.846 0.003 . 2 . . . . 63 PRO HB2 . 15789 2 105 . 1 1 41 41 PRO HB3 H 1 2.323 0.004 . 2 . . . . 63 PRO HB3 . 15789 2 106 . 1 1 41 41 PRO HD2 H 1 3.583 0.003 . 2 . . . . 63 PRO HD2 . 15789 2 107 . 1 1 41 41 PRO HD3 H 1 3.788 0.004 . 2 . . . . 63 PRO HD3 . 15789 2 108 . 1 1 41 41 PRO HG2 H 1 1.986 0.005 . 1 . . . . 63 PRO HG2 . 15789 2 109 . 1 1 41 41 PRO HG3 H 1 1.986 0.005 . 1 . . . . 63 PRO HG3 . 15789 2 110 . 1 1 41 41 PRO CA C 13 63.098 0.029 . 1 . . . . 63 PRO CA . 15789 2 111 . 1 1 41 41 PRO CB C 13 32.052 0.030 . 1 . . . . 63 PRO CB . 15789 2 112 . 1 1 41 41 PRO CD C 13 50.626 0.024 . 1 . . . . 63 PRO CD . 15789 2 113 . 1 1 41 41 PRO CG C 13 27.362 0.050 . 1 . . . . 63 PRO CG . 15789 2 114 . 1 1 42 42 GLU HA H 1 4.096 0.002 . 1 . . . . 64 GLU HA . 15789 2 115 . 1 1 43 43 ALA HA H 1 4.240 0.001 . 1 . . . . 65 ALA HA . 15789 2 116 . 1 1 43 43 ALA HB1 H 1 1.417 0.007 . 1 . . . . 65 ALA HB1 . 15789 2 117 . 1 1 43 43 ALA HB2 H 1 1.417 0.007 . 1 . . . . 65 ALA HB2 . 15789 2 118 . 1 1 43 43 ALA HB3 H 1 1.417 0.007 . 1 . . . . 65 ALA HB3 . 15789 2 119 . 1 1 43 43 ALA CA C 13 53.144 0.028 . 1 . . . . 65 ALA CA . 15789 2 120 . 1 1 43 43 ALA CB C 13 19.184 0.048 . 1 . . . . 65 ALA CB . 15789 2 121 . 1 1 44 44 GLU HA H 1 4.341 0.004 . 1 . . . . 66 GLU HA . 15789 2 122 . 1 1 44 44 GLU HB2 H 1 1.827 0.001 . 2 . . . . 66 GLU HB2 . 15789 2 123 . 1 1 44 44 GLU HB3 H 1 2.193 0.008 . 2 . . . . 66 GLU HB3 . 15789 2 124 . 1 1 44 44 GLU HG2 H 1 2.222 0.001 . 1 . . . . 66 GLU HG2 . 15789 2 125 . 1 1 44 44 GLU CA C 13 55.685 0.021 . 1 . . . . 66 GLU CA . 15789 2 126 . 1 1 44 44 GLU CB C 13 30.578 0.072 . 1 . . . . 66 GLU CB . 15789 2 127 . 1 1 44 44 GLU CG C 13 36.281 0.002 . 1 . . . . 66 GLU CG . 15789 2 128 . 1 1 45 45 MET HA H 1 4.430 0.004 . 1 . . . . 67 MET HA . 15789 2 129 . 1 1 45 45 MET HB3 H 1 1.975 0.007 . 1 . . . . 67 MET HB3 . 15789 2 130 . 1 1 45 45 MET HE1 H 1 1.642 0.005 . 1 . . . . 67 MET HE1 . 15789 2 131 . 1 1 45 45 MET HE2 H 1 1.642 0.005 . 1 . . . . 67 MET HE2 . 15789 2 132 . 1 1 45 45 MET HE3 H 1 1.642 0.005 . 1 . . . . 67 MET HE3 . 15789 2 133 . 1 1 45 45 MET HG2 H 1 2.339 0.003 . 2 . . . . 67 MET HG2 . 15789 2 134 . 1 1 45 45 MET HG3 H 1 2.560 0.004 . 2 . . . . 67 MET HG3 . 15789 2 135 . 1 1 45 45 MET CA C 13 56.060 0.110 . 1 . . . . 67 MET CA . 15789 2 136 . 1 1 45 45 MET CB C 13 34.029 0.054 . 1 . . . . 67 MET CB . 15789 2 137 . 1 1 45 45 MET CE C 13 17.408 0.019 . 1 . . . . 67 MET CE . 15789 2 138 . 1 1 45 45 MET CG C 13 33.492 0.140 . 1 . . . . 67 MET CG . 15789 2 139 . 1 1 46 46 SER HA H 1 4.759 0.003 . 1 . . . . 68 SER HA . 15789 2 140 . 1 1 46 46 SER HB2 H 1 4.013 0.003 . 2 . . . . 68 SER HB2 . 15789 2 141 . 1 1 46 46 SER HB3 H 1 4.371 0.005 . 2 . . . . 68 SER HB3 . 15789 2 142 . 1 1 46 46 SER CA C 13 56.632 0.023 . 1 . . . . 68 SER CA . 15789 2 143 . 1 1 46 46 SER CB C 13 62.721 0.072 . 1 . . . . 68 SER CB . 15789 2 144 . 1 1 47 47 PRO HA H 1 4.289 0.006 . 1 . . . . 69 PRO HA . 15789 2 145 . 1 1 47 47 PRO HB2 H 1 1.934 0.004 . 2 . . . . 69 PRO HB2 . 15789 2 146 . 1 1 47 47 PRO HB3 H 1 2.438 0.002 . 2 . . . . 69 PRO HB3 . 15789 2 147 . 1 1 47 47 PRO HD2 H 1 3.888 0.006 . 2 . . . . 69 PRO HD2 . 15789 2 148 . 1 1 47 47 PRO HD3 H 1 3.969 0.005 . 2 . . . . 69 PRO HD3 . 15789 2 149 . 1 1 47 47 PRO HG2 H 1 2.076 0.004 . 2 . . . . 69 PRO HG2 . 15789 2 150 . 1 1 47 47 PRO HG3 H 1 2.219 0.003 . 2 . . . . 69 PRO HG3 . 15789 2 151 . 1 1 47 47 PRO CA C 13 66.190 0.053 . 1 . . . . 69 PRO CA . 15789 2 152 . 1 1 47 47 PRO CB C 13 31.800 0.035 . 1 . . . . 69 PRO CB . 15789 2 153 . 1 1 47 47 PRO CD C 13 50.091 0.061 . 1 . . . . 69 PRO CD . 15789 2 154 . 1 1 47 47 PRO CG C 13 28.126 0.024 . 1 . . . . 69 PRO CG . 15789 2 155 . 1 1 48 48 GLN HA H 1 4.117 0.002 . 1 . . . . 70 GLN HA . 15789 2 156 . 1 1 48 48 GLN HB2 H 1 2.066 0.011 . 2 . . . . 70 GLN HB2 . 15789 2 157 . 1 1 48 48 GLN HB3 H 1 2.088 0.000 . 2 . . . . 70 GLN HB3 . 15789 2 158 . 1 1 48 48 GLN HG2 H 1 2.455 0.011 . 2 . . . . 70 GLN HG2 . 15789 2 159 . 1 1 48 48 GLN HG3 H 1 2.520 0.002 . 2 . . . . 70 GLN HG3 . 15789 2 160 . 1 1 48 48 GLN CA C 13 59.339 0.036 . 1 . . . . 70 GLN CA . 15789 2 161 . 1 1 48 48 GLN CB C 13 28.140 0.000 . 1 . . . . 70 GLN CB . 15789 2 162 . 1 1 48 48 GLN CG C 13 34.470 0.025 . 1 . . . . 70 GLN CG . 15789 2 163 . 1 1 49 49 GLU HA H 1 3.973 0.003 . 1 . . . . 71 GLU HA . 15789 2 164 . 1 1 49 49 GLU HB2 H 1 1.983 0.004 . 2 . . . . 71 GLU HB2 . 15789 2 165 . 1 1 49 49 GLU HB3 H 1 2.301 0.004 . 2 . . . . 71 GLU HB3 . 15789 2 166 . 1 1 49 49 GLU HG2 H 1 2.292 0.005 . 2 . . . . 71 GLU HG2 . 15789 2 167 . 1 1 49 49 GLU HG3 H 1 2.357 0.002 . 2 . . . . 71 GLU HG3 . 15789 2 168 . 1 1 49 49 GLU CA C 13 58.870 0.008 . 1 . . . . 71 GLU CA . 15789 2 169 . 1 1 49 49 GLU CB C 13 29.913 0.021 . 1 . . . . 71 GLU CB . 15789 2 170 . 1 1 49 49 GLU CG C 13 37.166 0.047 . 1 . . . . 71 GLU CG . 15789 2 171 . 1 1 50 50 LEU HA H 1 4.090 0.002 . 1 . . . . 72 LEU HA . 15789 2 172 . 1 1 50 50 LEU HB2 H 1 1.573 0.004 . 2 . . . . 72 LEU HB2 . 15789 2 173 . 1 1 50 50 LEU HB3 H 1 1.633 0.002 . 2 . . . . 72 LEU HB3 . 15789 2 174 . 1 1 50 50 LEU HD11 H 1 0.830 0.004 . 2 . . . . 72 LEU HD11 . 15789 2 175 . 1 1 50 50 LEU HD12 H 1 0.830 0.004 . 2 . . . . 72 LEU HD12 . 15789 2 176 . 1 1 50 50 LEU HD13 H 1 0.830 0.004 . 2 . . . . 72 LEU HD13 . 15789 2 177 . 1 1 50 50 LEU HD21 H 1 0.917 0.004 . 2 . . . . 72 LEU HD21 . 15789 2 178 . 1 1 50 50 LEU HD22 H 1 0.917 0.004 . 2 . . . . 72 LEU HD22 . 15789 2 179 . 1 1 50 50 LEU HD23 H 1 0.917 0.004 . 2 . . . . 72 LEU HD23 . 15789 2 180 . 1 1 50 50 LEU HG H 1 1.371 0.008 . 1 . . . . 72 LEU HG . 15789 2 181 . 1 1 50 50 LEU CA C 13 57.524 0.026 . 1 . . . . 72 LEU CA . 15789 2 182 . 1 1 50 50 LEU CB C 13 41.663 0.000 . 1 . . . . 72 LEU CB . 15789 2 183 . 1 1 50 50 LEU CD1 C 13 24.592 0.038 . 2 . . . . 72 LEU CD1 . 15789 2 184 . 1 1 50 50 LEU CD2 C 13 24.882 0.049 . 2 . . . . 72 LEU CD2 . 15789 2 185 . 1 1 50 50 LEU CG C 13 26.800 0.017 . 1 . . . . 72 LEU CG . 15789 2 186 . 1 1 51 51 GLN HA H 1 4.174 0.005 . 1 . . . . 73 GLN HA . 15789 2 187 . 1 1 51 51 GLN HB2 H 1 2.287 0.006 . 2 . . . . 73 GLN HB2 . 15789 2 188 . 1 1 51 51 GLN HB3 H 1 2.469 0.002 . 2 . . . . 73 GLN HB3 . 15789 2 189 . 1 1 51 51 GLN HG2 H 1 2.468 0.002 . 2 . . . . 73 GLN HG2 . 15789 2 190 . 1 1 51 51 GLN HG3 H 1 2.685 0.001 . 2 . . . . 73 GLN HG3 . 15789 2 191 . 1 1 51 51 GLN CA C 13 59.855 0.019 . 1 . . . . 73 GLN CA . 15789 2 192 . 1 1 51 51 GLN CB C 13 28.771 0.035 . 1 . . . . 73 GLN CB . 15789 2 193 . 1 1 51 51 GLN CG C 13 34.727 0.033 . 1 . . . . 73 GLN CG . 15789 2 194 . 1 1 52 52 LEU HA H 1 4.220 0.004 . 1 . . . . 74 LEU HA . 15789 2 195 . 1 1 52 52 LEU HB2 H 1 1.512 0.005 . 2 . . . . 74 LEU HB2 . 15789 2 196 . 1 1 52 52 LEU HB3 H 1 1.822 0.004 . 2 . . . . 74 LEU HB3 . 15789 2 197 . 1 1 52 52 LEU HD11 H 1 0.435 0.003 . 2 . . . . 74 LEU HD11 . 15789 2 198 . 1 1 52 52 LEU HD12 H 1 0.435 0.003 . 2 . . . . 74 LEU HD12 . 15789 2 199 . 1 1 52 52 LEU HD13 H 1 0.435 0.003 . 2 . . . . 74 LEU HD13 . 15789 2 200 . 1 1 52 52 LEU HD21 H 1 0.679 0.004 . 2 . . . . 74 LEU HD21 . 15789 2 201 . 1 1 52 52 LEU HD22 H 1 0.679 0.004 . 2 . . . . 74 LEU HD22 . 15789 2 202 . 1 1 52 52 LEU HD23 H 1 0.679 0.004 . 2 . . . . 74 LEU HD23 . 15789 2 203 . 1 1 52 52 LEU HG H 1 1.522 0.004 . 1 . . . . 74 LEU HG . 15789 2 204 . 1 1 52 52 LEU CA C 13 57.910 0.047 . 1 . . . . 74 LEU CA . 15789 2 205 . 1 1 52 52 LEU CB C 13 41.349 0.007 . 1 . . . . 74 LEU CB . 15789 2 206 . 1 1 52 52 LEU CD1 C 13 22.947 0.044 . 2 . . . . 74 LEU CD1 . 15789 2 207 . 1 1 52 52 LEU CD2 C 13 25.065 0.037 . 2 . . . . 74 LEU CD2 . 15789 2 208 . 1 1 52 52 LEU CG C 13 26.798 0.014 . 1 . . . . 74 LEU CG . 15789 2 209 . 1 1 53 53 HIS HA H 1 4.344 0.003 . 1 . . . . 75 HIS HA . 15789 2 210 . 1 1 53 53 HIS HB2 H 1 3.041 0.003 . 2 . . . . 75 HIS HB2 . 15789 2 211 . 1 1 53 53 HIS HB3 H 1 3.389 0.004 . 2 . . . . 75 HIS HB3 . 15789 2 212 . 1 1 53 53 HIS HD2 H 1 6.569 0.004 . 1 . . . . 75 HIS HD2 . 15789 2 213 . 1 1 53 53 HIS CA C 13 59.852 0.030 . 1 . . . . 75 HIS CA . 15789 2 214 . 1 1 53 53 HIS CB C 13 31.008 0.045 . 1 . . . . 75 HIS CB . 15789 2 215 . 1 1 53 53 HIS CD2 C 13 118.305 0.102 . 1 . . . . 75 HIS CD2 . 15789 2 216 . 1 1 54 54 TYR HA H 1 4.409 0.005 . 1 . . . . 76 TYR HA . 15789 2 217 . 1 1 54 54 TYR HB2 H 1 3.242 0.005 . 2 . . . . 76 TYR HB2 . 15789 2 218 . 1 1 54 54 TYR HB3 H 1 3.484 0.012 . 2 . . . . 76 TYR HB3 . 15789 2 219 . 1 1 54 54 TYR HD1 H 1 7.205 0.002 . 3 . . . . 76 TYR HD1 . 15789 2 220 . 1 1 54 54 TYR HD2 H 1 7.205 0.002 . 3 . . . . 76 TYR HD2 . 15789 2 221 . 1 1 54 54 TYR HE1 H 1 6.981 0.005 . 3 . . . . 76 TYR HE1 . 15789 2 222 . 1 1 54 54 TYR HE2 H 1 6.981 0.005 . 3 . . . . 76 TYR HE2 . 15789 2 223 . 1 1 54 54 TYR CA C 13 59.187 0.036 . 1 . . . . 76 TYR CA . 15789 2 224 . 1 1 54 54 TYR CB C 13 37.822 0.130 . 1 . . . . 76 TYR CB . 15789 2 225 . 1 1 54 54 TYR CD1 C 13 131.923 0.046 . 3 . . . . 76 TYR CD1 . 15789 2 226 . 1 1 54 54 TYR CD2 C 13 131.923 0.046 . 3 . . . . 76 TYR CD2 . 15789 2 227 . 1 1 54 54 TYR CE1 C 13 118.124 0.106 . 3 . . . . 76 TYR CE1 . 15789 2 228 . 1 1 54 54 TYR CE2 C 13 118.124 0.106 . 3 . . . . 76 TYR CE2 . 15789 2 229 . 1 1 55 55 PHE HA H 1 3.465 0.004 . 1 . . . . 77 PHE HA . 15789 2 230 . 1 1 55 55 PHE HB2 H 1 3.078 0.008 . 2 . . . . 77 PHE HB2 . 15789 2 231 . 1 1 55 55 PHE HB3 H 1 3.447 0.006 . 2 . . . . 77 PHE HB3 . 15789 2 232 . 1 1 55 55 PHE HD1 H 1 6.604 0.014 . 3 . . . . 77 PHE HD1 . 15789 2 233 . 1 1 55 55 PHE HD2 H 1 6.604 0.014 . 3 . . . . 77 PHE HD2 . 15789 2 234 . 1 1 55 55 PHE HE1 H 1 7.143 0.004 . 3 . . . . 77 PHE HE1 . 15789 2 235 . 1 1 55 55 PHE HE2 H 1 7.143 0.004 . 3 . . . . 77 PHE HE2 . 15789 2 236 . 1 1 55 55 PHE CA C 13 62.029 0.055 . 1 . . . . 77 PHE CA . 15789 2 237 . 1 1 55 55 PHE CB C 13 39.871 0.015 . 1 . . . . 77 PHE CB . 15789 2 238 . 1 1 55 55 PHE CD1 C 13 132.656 0.075 . 3 . . . . 77 PHE CD1 . 15789 2 239 . 1 1 55 55 PHE CD2 C 13 132.656 0.075 . 3 . . . . 77 PHE CD2 . 15789 2 240 . 1 1 55 55 PHE CE1 C 13 131.914 0.000 . 3 . . . . 77 PHE CE1 . 15789 2 241 . 1 1 55 55 PHE CE2 C 13 131.914 0.000 . 3 . . . . 77 PHE CE2 . 15789 2 242 . 1 1 56 56 LYS HA H 1 3.830 0.004 . 1 . . . . 78 LYS HA . 15789 2 243 . 1 1 56 56 LYS HB2 H 1 1.821 0.003 . 2 . . . . 78 LYS HB2 . 15789 2 244 . 1 1 56 56 LYS HB3 H 1 1.918 0.002 . 2 . . . . 78 LYS HB3 . 15789 2 245 . 1 1 56 56 LYS HD2 H 1 1.749 0.002 . 1 . . . . 78 LYS HD2 . 15789 2 246 . 1 1 56 56 LYS HD3 H 1 1.745 0.009 . 1 . . . . 78 LYS HD3 . 15789 2 247 . 1 1 56 56 LYS HE2 H 1 2.945 0.003 . 2 . . . . 78 LYS HE2 . 15789 2 248 . 1 1 56 56 LYS HE3 H 1 2.995 0.005 . 2 . . . . 78 LYS HE3 . 15789 2 249 . 1 1 56 56 LYS HG2 H 1 1.635 0.001 . 2 . . . . 78 LYS HG2 . 15789 2 250 . 1 1 56 56 LYS HG3 H 1 1.730 0.004 . 2 . . . . 78 LYS HG3 . 15789 2 251 . 1 1 56 56 LYS CA C 13 58.604 0.038 . 1 . . . . 78 LYS CA . 15789 2 252 . 1 1 56 56 LYS CB C 13 31.557 0.000 . 1 . . . . 78 LYS CB . 15789 2 253 . 1 1 56 56 LYS CD C 13 28.199 0.000 . 1 . . . . 78 LYS CD . 15789 2 254 . 1 1 56 56 LYS CE C 13 41.791 0.023 . 1 . . . . 78 LYS CE . 15789 2 255 . 1 1 56 56 LYS CG C 13 25.420 0.088 . 1 . . . . 78 LYS CG . 15789 2 256 . 1 1 57 57 MET HA H 1 3.778 0.002 . 1 . . . . 79 MET HA . 15789 2 257 . 1 1 57 57 MET HB2 H 1 1.458 0.002 . 2 . . . . 79 MET HB2 . 15789 2 258 . 1 1 57 57 MET HB3 H 1 1.820 0.001 . 2 . . . . 79 MET HB3 . 15789 2 259 . 1 1 57 57 MET HE1 H 1 1.714 0.003 . 1 . . . . 79 MET HE1 . 15789 2 260 . 1 1 57 57 MET HE2 H 1 1.714 0.003 . 1 . . . . 79 MET HE2 . 15789 2 261 . 1 1 57 57 MET HE3 H 1 1.714 0.003 . 1 . . . . 79 MET HE3 . 15789 2 262 . 1 1 57 57 MET HG2 H 1 1.668 0.003 . 2 . . . . 79 MET HG2 . 15789 2 263 . 1 1 57 57 MET HG3 H 1 1.818 0.002 . 2 . . . . 79 MET HG3 . 15789 2 264 . 1 1 57 57 MET CA C 13 57.821 0.009 . 1 . . . . 79 MET CA . 15789 2 265 . 1 1 57 57 MET CB C 13 32.762 0.023 . 1 . . . . 79 MET CB . 15789 2 266 . 1 1 57 57 MET CE C 13 16.415 0.039 . 1 . . . . 79 MET CE . 15789 2 267 . 1 1 57 57 MET CG C 13 31.001 0.047 . 1 . . . . 79 MET CG . 15789 2 268 . 1 1 58 58 HIS HA H 1 4.107 0.002 . 1 . . . . 80 HIS HA . 15789 2 269 . 1 1 58 58 HIS HB2 H 1 2.193 0.002 . 2 . . . . 80 HIS HB2 . 15789 2 270 . 1 1 58 58 HIS HB3 H 1 3.274 0.004 . 2 . . . . 80 HIS HB3 . 15789 2 271 . 1 1 58 58 HIS CA C 13 57.333 0.025 . 1 . . . . 80 HIS CA . 15789 2 272 . 1 1 58 58 HIS CB C 13 29.385 0.038 . 1 . . . . 80 HIS CB . 15789 2 273 . 1 1 59 59 ASP HA H 1 4.494 0.002 . 1 . . . . 81 ASP HA . 15789 2 274 . 1 1 59 59 ASP HB2 H 1 1.778 0.001 . 2 . . . . 81 ASP HB2 . 15789 2 275 . 1 1 59 59 ASP HB3 H 1 2.570 0.004 . 2 . . . . 81 ASP HB3 . 15789 2 276 . 1 1 59 59 ASP CA C 13 51.373 0.020 . 1 . . . . 81 ASP CA . 15789 2 277 . 1 1 59 59 ASP CB C 13 38.542 0.018 . 1 . . . . 81 ASP CB . 15789 2 278 . 1 1 60 60 TYR HA H 1 4.270 0.002 . 1 . . . . 82 TYR HA . 15789 2 279 . 1 1 60 60 TYR HB2 H 1 2.998 0.002 . 2 . . . . 82 TYR HB2 . 15789 2 280 . 1 1 60 60 TYR HB3 H 1 3.232 0.001 . 2 . . . . 82 TYR HB3 . 15789 2 281 . 1 1 60 60 TYR HD1 H 1 7.176 0.008 . 3 . . . . 82 TYR HD1 . 15789 2 282 . 1 1 60 60 TYR HD2 H 1 7.176 0.008 . 3 . . . . 82 TYR HD2 . 15789 2 283 . 1 1 60 60 TYR HE1 H 1 6.903 0.002 . 3 . . . . 82 TYR HE1 . 15789 2 284 . 1 1 60 60 TYR HE2 H 1 6.903 0.002 . 3 . . . . 82 TYR HE2 . 15789 2 285 . 1 1 60 60 TYR CA C 13 59.854 0.024 . 1 . . . . 82 TYR CA . 15789 2 286 . 1 1 60 60 TYR CB C 13 38.082 0.046 . 1 . . . . 82 TYR CB . 15789 2 287 . 1 1 60 60 TYR CD1 C 13 132.869 0.042 . 3 . . . . 82 TYR CD1 . 15789 2 288 . 1 1 60 60 TYR CD2 C 13 132.869 0.042 . 3 . . . . 82 TYR CD2 . 15789 2 289 . 1 1 60 60 TYR CE1 C 13 118.989 0.022 . 3 . . . . 82 TYR CE1 . 15789 2 290 . 1 1 60 60 TYR CE2 C 13 118.989 0.022 . 3 . . . . 82 TYR CE2 . 15789 2 291 . 1 1 61 61 ASP HA H 1 4.607 0.001 . 1 . . . . 83 ASP HA . 15789 2 292 . 1 1 61 61 ASP HB2 H 1 2.687 0.001 . 2 . . . . 83 ASP HB2 . 15789 2 293 . 1 1 61 61 ASP HB3 H 1 3.065 0.001 . 2 . . . . 83 ASP HB3 . 15789 2 294 . 1 1 61 61 ASP CA C 13 52.543 0.005 . 1 . . . . 83 ASP CA . 15789 2 295 . 1 1 61 61 ASP CB C 13 39.518 0.047 . 1 . . . . 83 ASP CB . 15789 2 296 . 1 1 62 62 GLY HA2 H 1 3.839 0.003 . 1 . . . . 84 GLY HA2 . 15789 2 297 . 1 1 62 62 GLY HA3 H 1 3.839 0.003 . 1 . . . . 84 GLY HA3 . 15789 2 298 . 1 1 62 62 GLY CA C 13 47.445 0.014 . 1 . . . . 84 GLY CA . 15789 2 299 . 1 1 63 63 ASN HA H 1 4.670 0.003 . 1 . . . . 85 ASN HA . 15789 2 300 . 1 1 63 63 ASN HB2 H 1 2.580 0.003 . 2 . . . . 85 ASN HB2 . 15789 2 301 . 1 1 63 63 ASN HB3 H 1 3.199 0.003 . 2 . . . . 85 ASN HB3 . 15789 2 302 . 1 1 63 63 ASN CA C 13 51.840 0.013 . 1 . . . . 85 ASN CA . 15789 2 303 . 1 1 63 63 ASN CB C 13 37.231 0.025 . 1 . . . . 85 ASN CB . 15789 2 304 . 1 1 64 64 ASN HA H 1 4.192 0.001 . 1 . . . . 86 ASN HA . 15789 2 305 . 1 1 64 64 ASN HB2 H 1 2.987 0.003 . 2 . . . . 86 ASN HB2 . 15789 2 306 . 1 1 64 64 ASN HB3 H 1 3.051 0.008 . 2 . . . . 86 ASN HB3 . 15789 2 307 . 1 1 64 64 ASN CA C 13 54.611 0.000 . 1 . . . . 86 ASN CA . 15789 2 308 . 1 1 64 64 ASN CB C 13 37.448 0.071 . 1 . . . . 86 ASN CB . 15789 2 309 . 1 1 65 65 LEU HA H 1 4.700 0.004 . 1 . . . . 87 LEU HA . 15789 2 310 . 1 1 65 65 LEU HB2 H 1 0.938 0.007 . 2 . . . . 87 LEU HB2 . 15789 2 311 . 1 1 65 65 LEU HB3 H 1 1.133 0.004 . 2 . . . . 87 LEU HB3 . 15789 2 312 . 1 1 65 65 LEU HD11 H 1 0.084 0.003 . 2 . . . . 87 LEU HD11 . 15789 2 313 . 1 1 65 65 LEU HD12 H 1 0.084 0.003 . 2 . . . . 87 LEU HD12 . 15789 2 314 . 1 1 65 65 LEU HD13 H 1 0.084 0.003 . 2 . . . . 87 LEU HD13 . 15789 2 315 . 1 1 65 65 LEU HD21 H 1 0.864 0.002 . 2 . . . . 87 LEU HD21 . 15789 2 316 . 1 1 65 65 LEU HD22 H 1 0.864 0.002 . 2 . . . . 87 LEU HD22 . 15789 2 317 . 1 1 65 65 LEU HD23 H 1 0.864 0.002 . 2 . . . . 87 LEU HD23 . 15789 2 318 . 1 1 65 65 LEU HG H 1 1.390 0.002 . 1 . . . . 87 LEU HG . 15789 2 319 . 1 1 65 65 LEU CA C 13 53.495 0.067 . 1 . . . . 87 LEU CA . 15789 2 320 . 1 1 65 65 LEU CB C 13 47.404 0.040 . 1 . . . . 87 LEU CB . 15789 2 321 . 1 1 65 65 LEU CD1 C 13 24.217 0.068 . 2 . . . . 87 LEU CD1 . 15789 2 322 . 1 1 65 65 LEU CD2 C 13 23.234 0.043 . 2 . . . . 87 LEU CD2 . 15789 2 323 . 1 1 65 65 LEU CG C 13 25.399 0.000 . 1 . . . . 87 LEU CG . 15789 2 324 . 1 1 66 66 LEU HA H 1 5.596 0.002 . 1 . . . . 88 LEU HA . 15789 2 325 . 1 1 66 66 LEU HB2 H 1 1.027 0.005 . 2 . . . . 88 LEU HB2 . 15789 2 326 . 1 1 66 66 LEU HB3 H 1 2.016 0.002 . 2 . . . . 88 LEU HB3 . 15789 2 327 . 1 1 66 66 LEU HD11 H 1 0.007 0.003 . 2 . . . . 88 LEU HD11 . 15789 2 328 . 1 1 66 66 LEU HD12 H 1 0.007 0.003 . 2 . . . . 88 LEU HD12 . 15789 2 329 . 1 1 66 66 LEU HD13 H 1 0.007 0.003 . 2 . . . . 88 LEU HD13 . 15789 2 330 . 1 1 66 66 LEU HD21 H 1 0.210 0.002 . 2 . . . . 88 LEU HD21 . 15789 2 331 . 1 1 66 66 LEU HD22 H 1 0.210 0.002 . 2 . . . . 88 LEU HD22 . 15789 2 332 . 1 1 66 66 LEU HD23 H 1 0.210 0.002 . 2 . . . . 88 LEU HD23 . 15789 2 333 . 1 1 66 66 LEU HG H 1 1.180 0.003 . 1 . . . . 88 LEU HG . 15789 2 334 . 1 1 66 66 LEU CA C 13 53.196 0.027 . 1 . . . . 88 LEU CA . 15789 2 335 . 1 1 66 66 LEU CB C 13 42.229 0.036 . 1 . . . . 88 LEU CB . 15789 2 336 . 1 1 66 66 LEU CD1 C 13 21.223 0.030 . 2 . . . . 88 LEU CD1 . 15789 2 337 . 1 1 66 66 LEU CD2 C 13 26.695 0.034 . 2 . . . . 88 LEU CD2 . 15789 2 338 . 1 1 66 66 LEU CG C 13 25.976 0.033 . 1 . . . . 88 LEU CG . 15789 2 339 . 1 1 67 67 ASP HA H 1 4.820 0.004 . 1 . . . . 89 ASP HA . 15789 2 340 . 1 1 67 67 ASP HB2 H 1 2.724 0.002 . 2 . . . . 89 ASP HB2 . 15789 2 341 . 1 1 67 67 ASP HB3 H 1 3.159 0.007 . 2 . . . . 89 ASP HB3 . 15789 2 342 . 1 1 67 67 ASP CA C 13 52.142 0.038 . 1 . . . . 89 ASP CA . 15789 2 343 . 1 1 67 67 ASP CB C 13 42.474 0.021 . 1 . . . . 89 ASP CB . 15789 2 344 . 1 1 68 68 GLY HA2 H 1 3.714 0.005 . 2 . . . . 90 GLY HA2 . 15789 2 345 . 1 1 68 68 GLY HA3 H 1 3.958 0.013 . 2 . . . . 90 GLY HA3 . 15789 2 346 . 1 1 68 68 GLY CA C 13 48.028 0.038 . 1 . . . . 90 GLY CA . 15789 2 347 . 1 1 69 69 LEU HA H 1 4.362 0.003 . 1 . . . . 91 LEU HA . 15789 2 348 . 1 1 69 69 LEU HB2 H 1 1.862 0.003 . 1 . . . . 91 LEU HB2 . 15789 2 349 . 1 1 69 69 LEU HB3 H 1 1.862 0.003 . 1 . . . . 91 LEU HB3 . 15789 2 350 . 1 1 69 69 LEU HD11 H 1 0.971 0.004 . 2 . . . . 91 LEU HD11 . 15789 2 351 . 1 1 69 69 LEU HD12 H 1 0.971 0.004 . 2 . . . . 91 LEU HD12 . 15789 2 352 . 1 1 69 69 LEU HD13 H 1 0.971 0.004 . 2 . . . . 91 LEU HD13 . 15789 2 353 . 1 1 69 69 LEU HD21 H 1 0.983 0.009 . 2 . . . . 91 LEU HD21 . 15789 2 354 . 1 1 69 69 LEU HD22 H 1 0.983 0.009 . 2 . . . . 91 LEU HD22 . 15789 2 355 . 1 1 69 69 LEU HD23 H 1 0.983 0.009 . 2 . . . . 91 LEU HD23 . 15789 2 356 . 1 1 69 69 LEU HG H 1 1.724 0.002 . 1 . . . . 91 LEU HG . 15789 2 357 . 1 1 69 69 LEU CA C 13 57.528 0.036 . 1 . . . . 91 LEU CA . 15789 2 358 . 1 1 69 69 LEU CB C 13 41.605 0.013 . 1 . . . . 91 LEU CB . 15789 2 359 . 1 1 69 69 LEU CD1 C 13 23.951 0.049 . 2 . . . . 91 LEU CD1 . 15789 2 360 . 1 1 69 69 LEU CD2 C 13 24.324 0.008 . 2 . . . . 91 LEU CD2 . 15789 2 361 . 1 1 69 69 LEU CG C 13 27.427 0.048 . 1 . . . . 91 LEU CG . 15789 2 362 . 1 1 70 70 GLU HA H 1 4.030 0.005 . 1 . . . . 92 GLU HA . 15789 2 363 . 1 1 70 70 GLU HB2 H 1 2.233 0.006 . 2 . . . . 92 GLU HB2 . 15789 2 364 . 1 1 70 70 GLU HB3 H 1 2.382 0.005 . 2 . . . . 92 GLU HB3 . 15789 2 365 . 1 1 70 70 GLU HG2 H 1 2.509 0.003 . 2 . . . . 92 GLU HG2 . 15789 2 366 . 1 1 70 70 GLU HG3 H 1 2.920 0.004 . 2 . . . . 92 GLU HG3 . 15789 2 367 . 1 1 70 70 GLU CA C 13 59.265 0.143 . 1 . . . . 92 GLU CA . 15789 2 368 . 1 1 70 70 GLU CB C 13 30.784 0.043 . 1 . . . . 92 GLU CB . 15789 2 369 . 1 1 70 70 GLU CG C 13 36.751 0.035 . 1 . . . . 92 GLU CG . 15789 2 370 . 1 1 71 71 LEU HA H 1 3.972 0.003 . 1 . . . . 93 LEU HA . 15789 2 371 . 1 1 71 71 LEU HB2 H 1 1.568 0.002 . 2 . . . . 93 LEU HB2 . 15789 2 372 . 1 1 71 71 LEU HB3 H 1 1.820 0.005 . 2 . . . . 93 LEU HB3 . 15789 2 373 . 1 1 71 71 LEU HD11 H 1 0.963 0.005 . 1 . . . . 93 LEU HD11 . 15789 2 374 . 1 1 71 71 LEU HD12 H 1 0.963 0.005 . 1 . . . . 93 LEU HD12 . 15789 2 375 . 1 1 71 71 LEU HD13 H 1 0.963 0.005 . 1 . . . . 93 LEU HD13 . 15789 2 376 . 1 1 71 71 LEU HD21 H 1 0.971 0.003 . 1 . . . . 93 LEU HD21 . 15789 2 377 . 1 1 71 71 LEU HD22 H 1 0.971 0.003 . 1 . . . . 93 LEU HD22 . 15789 2 378 . 1 1 71 71 LEU HD23 H 1 0.971 0.003 . 1 . . . . 93 LEU HD23 . 15789 2 379 . 1 1 71 71 LEU HG H 1 1.692 0.003 . 1 . . . . 93 LEU HG . 15789 2 380 . 1 1 71 71 LEU CA C 13 57.167 0.280 . 1 . . . . 93 LEU CA . 15789 2 381 . 1 1 71 71 LEU CB C 13 42.328 0.002 . 1 . . . . 93 LEU CB . 15789 2 382 . 1 1 71 71 LEU CD1 C 13 25.426 0.047 . 1 . . . . 93 LEU CD1 . 15789 2 383 . 1 1 71 71 LEU CG C 13 27.209 0.000 . 1 . . . . 93 LEU CG . 15789 2 384 . 1 1 72 72 SER HA H 1 4.058 0.000 . 1 . . . . 94 SER HA . 15789 2 385 . 1 1 72 72 SER HB2 H 1 4.055 0.005 . 1 . . . . 94 SER HB2 . 15789 2 386 . 1 1 72 72 SER HB3 H 1 4.055 0.005 . 1 . . . . 94 SER HB3 . 15789 2 387 . 1 1 73 73 THR HA H 1 4.017 0.004 . 1 . . . . 95 THR HA . 15789 2 388 . 1 1 73 73 THR HB H 1 4.425 0.005 . 1 . . . . 95 THR HB . 15789 2 389 . 1 1 73 73 THR HG21 H 1 1.483 0.003 . 1 . . . . 95 THR HG21 . 15789 2 390 . 1 1 73 73 THR HG22 H 1 1.483 0.003 . 1 . . . . 95 THR HG22 . 15789 2 391 . 1 1 73 73 THR HG23 H 1 1.483 0.003 . 1 . . . . 95 THR HG23 . 15789 2 392 . 1 1 73 73 THR CA C 13 66.046 0.015 . 1 . . . . 95 THR CA . 15789 2 393 . 1 1 73 73 THR CB C 13 68.371 0.059 . 1 . . . . 95 THR CB . 15789 2 394 . 1 1 73 73 THR CG2 C 13 22.525 0.037 . 1 . . . . 95 THR CG2 . 15789 2 395 . 1 1 74 74 ALA HA H 1 2.772 0.004 . 1 . . . . 96 ALA HA . 15789 2 396 . 1 1 74 74 ALA HB1 H 1 1.162 0.004 . 1 . . . . 96 ALA HB1 . 15789 2 397 . 1 1 74 74 ALA HB2 H 1 1.162 0.004 . 1 . . . . 96 ALA HB2 . 15789 2 398 . 1 1 74 74 ALA HB3 H 1 1.162 0.004 . 1 . . . . 96 ALA HB3 . 15789 2 399 . 1 1 74 74 ALA CA C 13 54.824 0.000 . 1 . . . . 96 ALA CA . 15789 2 400 . 1 1 74 74 ALA CB C 13 18.416 0.036 . 1 . . . . 96 ALA CB . 15789 2 401 . 1 1 75 75 ILE HA H 1 3.759 0.004 . 1 . . . . 97 ILE HA . 15789 2 402 . 1 1 75 75 ILE HB H 1 1.977 0.004 . 1 . . . . 97 ILE HB . 15789 2 403 . 1 1 75 75 ILE HD11 H 1 0.825 0.005 . 1 . . . . 97 ILE HD11 . 15789 2 404 . 1 1 75 75 ILE HD12 H 1 0.825 0.005 . 1 . . . . 97 ILE HD12 . 15789 2 405 . 1 1 75 75 ILE HD13 H 1 0.825 0.005 . 1 . . . . 97 ILE HD13 . 15789 2 406 . 1 1 75 75 ILE HG12 H 1 1.467 0.005 . 2 . . . . 97 ILE HG12 . 15789 2 407 . 1 1 75 75 ILE HG13 H 1 1.568 0.006 . 2 . . . . 97 ILE HG13 . 15789 2 408 . 1 1 75 75 ILE HG21 H 1 0.837 0.004 . 1 . . . . 97 ILE HG21 . 15789 2 409 . 1 1 75 75 ILE HG22 H 1 0.837 0.004 . 1 . . . . 97 ILE HG22 . 15789 2 410 . 1 1 75 75 ILE HG23 H 1 0.837 0.004 . 1 . . . . 97 ILE HG23 . 15789 2 411 . 1 1 75 75 ILE CA C 13 63.445 0.111 . 1 . . . . 97 ILE CA . 15789 2 412 . 1 1 75 75 ILE CB C 13 37.330 0.026 . 1 . . . . 97 ILE CB . 15789 2 413 . 1 1 75 75 ILE CD1 C 13 12.211 0.040 . 1 . . . . 97 ILE CD1 . 15789 2 414 . 1 1 75 75 ILE CG1 C 13 28.902 0.060 . 1 . . . . 97 ILE CG1 . 15789 2 415 . 1 1 75 75 ILE CG2 C 13 17.796 0.032 . 1 . . . . 97 ILE CG2 . 15789 2 416 . 1 1 76 76 THR HA H 1 3.943 0.003 . 1 . . . . 98 THR HA . 15789 2 417 . 1 1 76 76 THR HB H 1 4.330 0.004 . 1 . . . . 98 THR HB . 15789 2 418 . 1 1 76 76 THR HG21 H 1 1.278 0.002 . 1 . . . . 98 THR HG21 . 15789 2 419 . 1 1 76 76 THR HG22 H 1 1.278 0.002 . 1 . . . . 98 THR HG22 . 15789 2 420 . 1 1 76 76 THR HG23 H 1 1.278 0.002 . 1 . . . . 98 THR HG23 . 15789 2 421 . 1 1 76 76 THR CA C 13 66.291 0.026 . 1 . . . . 98 THR CA . 15789 2 422 . 1 1 76 76 THR CB C 13 68.741 0.064 . 1 . . . . 98 THR CB . 15789 2 423 . 1 1 76 76 THR CG2 C 13 21.621 0.068 . 1 . . . . 98 THR CG2 . 15789 2 424 . 1 1 77 77 HIS HA H 1 4.599 0.004 . 1 . . . . 99 HIS HA . 15789 2 425 . 1 1 77 77 HIS HB2 H 1 3.042 0.002 . 2 . . . . 99 HIS HB2 . 15789 2 426 . 1 1 77 77 HIS HB3 H 1 3.105 0.003 . 2 . . . . 99 HIS HB3 . 15789 2 427 . 1 1 77 77 HIS HD2 H 1 6.933 0.005 . 1 . . . . 99 HIS HD2 . 15789 2 428 . 1 1 77 77 HIS CA C 13 56.662 0.033 . 1 . . . . 99 HIS CA . 15789 2 429 . 1 1 77 77 HIS CB C 13 31.124 0.082 . 1 . . . . 99 HIS CB . 15789 2 430 . 1 1 77 77 HIS CD2 C 13 119.505 0.021 . 1 . . . . 99 HIS CD2 . 15789 2 431 . 1 1 78 78 VAL HA H 1 3.401 0.006 . 1 . . . . 100 VAL HA . 15789 2 432 . 1 1 78 78 VAL HB H 1 2.022 0.003 . 1 . . . . 100 VAL HB . 15789 2 433 . 1 1 78 78 VAL HG11 H 1 0.730 0.002 . 2 . . . . 100 VAL HG11 . 15789 2 434 . 1 1 78 78 VAL HG12 H 1 0.730 0.002 . 2 . . . . 100 VAL HG12 . 15789 2 435 . 1 1 78 78 VAL HG13 H 1 0.730 0.002 . 2 . . . . 100 VAL HG13 . 15789 2 436 . 1 1 78 78 VAL HG21 H 1 0.830 0.004 . 2 . . . . 100 VAL HG21 . 15789 2 437 . 1 1 78 78 VAL HG22 H 1 0.830 0.004 . 2 . . . . 100 VAL HG22 . 15789 2 438 . 1 1 78 78 VAL HG23 H 1 0.830 0.004 . 2 . . . . 100 VAL HG23 . 15789 2 439 . 1 1 78 78 VAL CA C 13 65.359 0.042 . 1 . . . . 100 VAL CA . 15789 2 440 . 1 1 78 78 VAL CB C 13 31.974 0.119 . 1 . . . . 100 VAL CB . 15789 2 441 . 1 1 78 78 VAL CG1 C 13 21.158 0.047 . 2 . . . . 100 VAL CG1 . 15789 2 442 . 1 1 78 78 VAL CG2 C 13 21.641 0.051 . 2 . . . . 100 VAL CG2 . 15789 2 443 . 1 1 79 79 HIS HA H 1 4.389 0.004 . 1 . . . . 101 HIS HA . 15789 2 444 . 1 1 79 79 HIS HB2 H 1 3.008 0.002 . 2 . . . . 101 HIS HB2 . 15789 2 445 . 1 1 79 79 HIS HB3 H 1 3.193 0.002 . 2 . . . . 101 HIS HB3 . 15789 2 446 . 1 1 79 79 HIS HD2 H 1 6.972 0.003 . 1 . . . . 101 HIS HD2 . 15789 2 447 . 1 1 79 79 HIS CA C 13 58.578 0.063 . 1 . . . . 101 HIS CA . 15789 2 448 . 1 1 79 79 HIS CB C 13 30.730 0.144 . 1 . . . . 101 HIS CB . 15789 2 449 . 1 1 79 79 HIS CD2 C 13 119.779 0.000 . 1 . . . . 101 HIS CD2 . 15789 2 450 . 1 1 87 87 ALA HA H 1 4.574 0.003 . 1 . . . . 109 ALA HA . 15789 2 451 . 1 1 87 87 ALA HB1 H 1 1.371 0.003 . 1 . . . . 109 ALA HB1 . 15789 2 452 . 1 1 87 87 ALA HB2 H 1 1.371 0.003 . 1 . . . . 109 ALA HB2 . 15789 2 453 . 1 1 87 87 ALA HB3 H 1 1.371 0.003 . 1 . . . . 109 ALA HB3 . 15789 2 454 . 1 1 87 87 ALA CA C 13 50.779 0.044 . 1 . . . . 109 ALA CA . 15789 2 455 . 1 1 87 87 ALA CB C 13 18.180 0.036 . 1 . . . . 109 ALA CB . 15789 2 456 . 1 1 88 88 PRO HA H 1 4.444 0.007 . 1 . . . . 110 PRO HA . 15789 2 457 . 1 1 88 88 PRO HB2 H 1 1.897 0.004 . 2 . . . . 110 PRO HB2 . 15789 2 458 . 1 1 88 88 PRO HB3 H 1 2.299 0.010 . 2 . . . . 110 PRO HB3 . 15789 2 459 . 1 1 88 88 PRO HD2 H 1 3.630 0.005 . 2 . . . . 110 PRO HD2 . 15789 2 460 . 1 1 88 88 PRO HD3 H 1 3.763 0.005 . 2 . . . . 110 PRO HD3 . 15789 2 461 . 1 1 88 88 PRO HG3 H 1 2.013 0.003 . 1 . . . . 110 PRO HG3 . 15789 2 462 . 1 1 88 88 PRO CA C 13 62.973 0.018 . 1 . . . . 110 PRO CA . 15789 2 463 . 1 1 88 88 PRO CB C 13 32.104 0.018 . 1 . . . . 110 PRO CB . 15789 2 464 . 1 1 88 88 PRO CD C 13 50.568 0.057 . 1 . . . . 110 PRO CD . 15789 2 465 . 1 1 88 88 PRO CG C 13 27.465 0.021 . 1 . . . . 110 PRO CG . 15789 2 466 . 1 1 89 89 LEU HA H 1 4.327 0.001 . 1 . . . . 111 LEU HA . 15789 2 467 . 1 1 89 89 LEU HB2 H 1 1.577 0.000 . 2 . . . . 111 LEU HB2 . 15789 2 468 . 1 1 89 89 LEU HB3 H 1 1.634 0.000 . 2 . . . . 111 LEU HB3 . 15789 2 469 . 1 1 89 89 LEU HD11 H 1 0.886 0.001 . 1 . . . . 111 LEU HD11 . 15789 2 470 . 1 1 89 89 LEU HD12 H 1 0.886 0.001 . 1 . . . . 111 LEU HD12 . 15789 2 471 . 1 1 89 89 LEU HD13 H 1 0.886 0.001 . 1 . . . . 111 LEU HD13 . 15789 2 472 . 1 1 89 89 LEU HD21 H 1 0.886 0.001 . 1 . . . . 111 LEU HD21 . 15789 2 473 . 1 1 89 89 LEU HD22 H 1 0.886 0.001 . 1 . . . . 111 LEU HD22 . 15789 2 474 . 1 1 89 89 LEU HD23 H 1 0.886 0.001 . 1 . . . . 111 LEU HD23 . 15789 2 475 . 1 1 89 89 LEU CA C 13 55.111 0.056 . 1 . . . . 111 LEU CA . 15789 2 476 . 1 1 89 89 LEU CB C 13 42.323 0.006 . 1 . . . . 111 LEU CB . 15789 2 477 . 1 1 90 90 MET HA H 1 4.487 0.003 . 1 . . . . 112 MET HA . 15789 2 478 . 1 1 90 90 MET HB2 H 1 1.976 0.005 . 1 . . . . 112 MET HB2 . 15789 2 479 . 1 1 90 90 MET HB3 H 1 1.976 0.005 . 1 . . . . 112 MET HB3 . 15789 2 480 . 1 1 90 90 MET HE1 H 1 1.867 0.006 . 1 . . . . 112 MET HE1 . 15789 2 481 . 1 1 90 90 MET HE2 H 1 1.867 0.006 . 1 . . . . 112 MET HE2 . 15789 2 482 . 1 1 90 90 MET HE3 H 1 1.867 0.006 . 1 . . . . 112 MET HE3 . 15789 2 483 . 1 1 90 90 MET HG2 H 1 2.482 0.003 . 1 . . . . 112 MET HG2 . 15789 2 484 . 1 1 90 90 MET HG3 H 1 2.482 0.003 . 1 . . . . 112 MET HG3 . 15789 2 485 . 1 1 90 90 MET CA C 13 55.473 0.079 . 1 . . . . 112 MET CA . 15789 2 486 . 1 1 90 90 MET CB C 13 34.146 0.113 . 1 . . . . 112 MET CB . 15789 2 487 . 1 1 90 90 MET CE C 13 16.918 0.022 . 1 . . . . 112 MET CE . 15789 2 488 . 1 1 90 90 MET CG C 13 31.926 0.039 . 1 . . . . 112 MET CG . 15789 2 489 . 1 1 91 91 SER HA H 1 4.512 0.003 . 1 . . . . 113 SER HA . 15789 2 490 . 1 1 91 91 SER HB2 H 1 3.994 0.002 . 2 . . . . 113 SER HB2 . 15789 2 491 . 1 1 91 91 SER HB3 H 1 4.254 0.001 . 2 . . . . 113 SER HB3 . 15789 2 492 . 1 1 91 91 SER CA C 13 57.465 0.012 . 1 . . . . 113 SER CA . 15789 2 493 . 1 1 91 91 SER CB C 13 64.867 0.017 . 1 . . . . 113 SER CB . 15789 2 494 . 1 1 92 92 GLU HA H 1 4.036 0.001 . 1 . . . . 114 GLU HA . 15789 2 495 . 1 1 92 92 GLU HB2 H 1 2.072 0.002 . 1 . . . . 114 GLU HB2 . 15789 2 496 . 1 1 92 92 GLU HB3 H 1 2.072 0.002 . 1 . . . . 114 GLU HB3 . 15789 2 497 . 1 1 92 92 GLU CA C 13 59.556 0.021 . 1 . . . . 114 GLU CA . 15789 2 498 . 1 1 92 92 GLU CB C 13 29.458 0.007 . 1 . . . . 114 GLU CB . 15789 2 499 . 1 1 93 93 ASP HA H 1 4.386 0.002 . 1 . . . . 115 ASP HA . 15789 2 500 . 1 1 93 93 ASP HB2 H 1 2.555 0.004 . 2 . . . . 115 ASP HB2 . 15789 2 501 . 1 1 93 93 ASP HB3 H 1 2.624 0.004 . 2 . . . . 115 ASP HB3 . 15789 2 502 . 1 1 93 93 ASP CA C 13 56.538 0.002 . 1 . . . . 115 ASP CA . 15789 2 503 . 1 1 93 93 ASP CB C 13 40.588 0.002 . 1 . . . . 115 ASP CB . 15789 2 504 . 1 1 94 94 GLU HA H 1 4.081 0.005 . 1 . . . . 116 GLU HA . 15789 2 505 . 1 1 94 94 GLU HB2 H 1 2.024 0.001 . 1 . . . . 116 GLU HB2 . 15789 2 506 . 1 1 94 94 GLU HB3 H 1 2.024 0.001 . 1 . . . . 116 GLU HB3 . 15789 2 507 . 1 1 94 94 GLU HG2 H 1 2.285 0.008 . 1 . . . . 116 GLU HG2 . 15789 2 508 . 1 1 94 94 GLU CA C 13 58.576 0.017 . 1 . . . . 116 GLU CA . 15789 2 509 . 1 1 94 94 GLU CB C 13 29.929 0.000 . 1 . . . . 116 GLU CB . 15789 2 510 . 1 1 94 94 GLU CG C 13 36.347 0.000 . 1 . . . . 116 GLU CG . 15789 2 511 . 1 1 95 95 LEU HA H 1 4.059 0.003 . 1 . . . . 117 LEU HA . 15789 2 512 . 1 1 95 95 LEU HB2 H 1 1.625 0.005 . 2 . . . . 117 LEU HB2 . 15789 2 513 . 1 1 95 95 LEU HB3 H 1 1.766 0.005 . 2 . . . . 117 LEU HB3 . 15789 2 514 . 1 1 95 95 LEU HD11 H 1 0.878 0.002 . 1 . . . . 117 LEU HD11 . 15789 2 515 . 1 1 95 95 LEU HD12 H 1 0.878 0.002 . 1 . . . . 117 LEU HD12 . 15789 2 516 . 1 1 95 95 LEU HD13 H 1 0.878 0.002 . 1 . . . . 117 LEU HD13 . 15789 2 517 . 1 1 95 95 LEU HD21 H 1 0.880 0.000 . 1 . . . . 117 LEU HD21 . 15789 2 518 . 1 1 95 95 LEU HD22 H 1 0.880 0.000 . 1 . . . . 117 LEU HD22 . 15789 2 519 . 1 1 95 95 LEU HD23 H 1 0.880 0.000 . 1 . . . . 117 LEU HD23 . 15789 2 520 . 1 1 95 95 LEU CA C 13 58.066 0.083 . 1 . . . . 117 LEU CA . 15789 2 521 . 1 1 95 95 LEU CB C 13 41.740 0.069 . 1 . . . . 117 LEU CB . 15789 2 522 . 1 1 96 96 ILE HA H 1 3.704 0.003 . 1 . . . . 118 ILE HA . 15789 2 523 . 1 1 96 96 ILE HB H 1 1.905 0.003 . 1 . . . . 118 ILE HB . 15789 2 524 . 1 1 96 96 ILE HD11 H 1 0.866 0.001 . 1 . . . . 118 ILE HD11 . 15789 2 525 . 1 1 96 96 ILE HD12 H 1 0.866 0.001 . 1 . . . . 118 ILE HD12 . 15789 2 526 . 1 1 96 96 ILE HD13 H 1 0.866 0.001 . 1 . . . . 118 ILE HD13 . 15789 2 527 . 1 1 96 96 ILE HG12 H 1 1.234 0.003 . 2 . . . . 118 ILE HG12 . 15789 2 528 . 1 1 96 96 ILE HG13 H 1 1.664 0.002 . 2 . . . . 118 ILE HG13 . 15789 2 529 . 1 1 96 96 ILE HG21 H 1 0.918 0.004 . 1 . . . . 118 ILE HG21 . 15789 2 530 . 1 1 96 96 ILE HG22 H 1 0.918 0.004 . 1 . . . . 118 ILE HG22 . 15789 2 531 . 1 1 96 96 ILE HG23 H 1 0.918 0.004 . 1 . . . . 118 ILE HG23 . 15789 2 532 . 1 1 96 96 ILE CA C 13 64.368 0.066 . 1 . . . . 118 ILE CA . 15789 2 533 . 1 1 96 96 ILE CB C 13 37.743 0.017 . 1 . . . . 118 ILE CB . 15789 2 534 . 1 1 96 96 ILE CD1 C 13 13.004 0.016 . 1 . . . . 118 ILE CD1 . 15789 2 535 . 1 1 96 96 ILE CG1 C 13 29.110 0.073 . 1 . . . . 118 ILE CG1 . 15789 2 536 . 1 1 96 96 ILE CG2 C 13 17.336 0.030 . 1 . . . . 118 ILE CG2 . 15789 2 537 . 1 1 97 97 ASN HA H 1 4.530 0.002 . 1 . . . . 119 ASN HA . 15789 2 538 . 1 1 97 97 ASN HB2 H 1 2.860 0.008 . 2 . . . . 119 ASN HB2 . 15789 2 539 . 1 1 97 97 ASN HB3 H 1 2.892 0.015 . 2 . . . . 119 ASN HB3 . 15789 2 540 . 1 1 97 97 ASN CA C 13 56.027 0.029 . 1 . . . . 119 ASN CA . 15789 2 541 . 1 1 97 97 ASN CB C 13 38.387 0.012 . 1 . . . . 119 ASN CB . 15789 2 542 . 1 1 98 98 ILE HA H 1 3.826 0.003 . 1 . . . . 120 ILE HA . 15789 2 543 . 1 1 98 98 ILE HB H 1 2.059 0.002 . 1 . . . . 120 ILE HB . 15789 2 544 . 1 1 98 98 ILE HD11 H 1 0.761 0.002 . 1 . . . . 120 ILE HD11 . 15789 2 545 . 1 1 98 98 ILE HD12 H 1 0.761 0.002 . 1 . . . . 120 ILE HD12 . 15789 2 546 . 1 1 98 98 ILE HD13 H 1 0.761 0.002 . 1 . . . . 120 ILE HD13 . 15789 2 547 . 1 1 98 98 ILE HG12 H 1 1.140 0.006 . 2 . . . . 120 ILE HG12 . 15789 2 548 . 1 1 98 98 ILE HG13 H 1 1.729 0.002 . 2 . . . . 120 ILE HG13 . 15789 2 549 . 1 1 98 98 ILE HG21 H 1 0.861 0.002 . 1 . . . . 120 ILE HG21 . 15789 2 550 . 1 1 98 98 ILE HG22 H 1 0.861 0.002 . 1 . . . . 120 ILE HG22 . 15789 2 551 . 1 1 98 98 ILE HG23 H 1 0.861 0.002 . 1 . . . . 120 ILE HG23 . 15789 2 552 . 1 1 98 98 ILE CA C 13 64.504 0.020 . 1 . . . . 120 ILE CA . 15789 2 553 . 1 1 98 98 ILE CB C 13 37.999 0.023 . 1 . . . . 120 ILE CB . 15789 2 554 . 1 1 98 98 ILE CD1 C 13 13.288 0.017 . 1 . . . . 120 ILE CD1 . 15789 2 555 . 1 1 98 98 ILE CG1 C 13 28.854 0.076 . 1 . . . . 120 ILE CG1 . 15789 2 556 . 1 1 98 98 ILE CG2 C 13 17.397 0.025 . 1 . . . . 120 ILE CG2 . 15789 2 557 . 1 1 99 99 ILE HA H 1 3.545 0.003 . 1 . . . . 121 ILE HA . 15789 2 558 . 1 1 99 99 ILE HB H 1 1.985 0.002 . 1 . . . . 121 ILE HB . 15789 2 559 . 1 1 99 99 ILE HD11 H 1 0.828 0.005 . 1 . . . . 121 ILE HD11 . 15789 2 560 . 1 1 99 99 ILE HD12 H 1 0.828 0.005 . 1 . . . . 121 ILE HD12 . 15789 2 561 . 1 1 99 99 ILE HD13 H 1 0.828 0.005 . 1 . . . . 121 ILE HD13 . 15789 2 562 . 1 1 99 99 ILE HG12 H 1 1.165 0.001 . 2 . . . . 121 ILE HG12 . 15789 2 563 . 1 1 99 99 ILE HG13 H 1 1.654 0.003 . 2 . . . . 121 ILE HG13 . 15789 2 564 . 1 1 99 99 ILE HG21 H 1 0.941 0.006 . 1 . . . . 121 ILE HG21 . 15789 2 565 . 1 1 99 99 ILE HG22 H 1 0.941 0.006 . 1 . . . . 121 ILE HG22 . 15789 2 566 . 1 1 99 99 ILE HG23 H 1 0.941 0.006 . 1 . . . . 121 ILE HG23 . 15789 2 567 . 1 1 99 99 ILE CA C 13 64.902 0.030 . 1 . . . . 121 ILE CA . 15789 2 568 . 1 1 99 99 ILE CB C 13 37.366 0.061 . 1 . . . . 121 ILE CB . 15789 2 569 . 1 1 99 99 ILE CD1 C 13 12.966 0.022 . 1 . . . . 121 ILE CD1 . 15789 2 570 . 1 1 99 99 ILE CG1 C 13 29.228 0.013 . 1 . . . . 121 ILE CG1 . 15789 2 571 . 1 1 99 99 ILE CG2 C 13 17.642 0.011 . 1 . . . . 121 ILE CG2 . 15789 2 572 . 1 1 100 100 ASP HA H 1 4.387 0.002 . 1 . . . . 122 ASP HA . 15789 2 573 . 1 1 100 100 ASP HB2 H 1 2.586 0.002 . 2 . . . . 122 ASP HB2 . 15789 2 574 . 1 1 100 100 ASP HB3 H 1 2.780 0.000 . 2 . . . . 122 ASP HB3 . 15789 2 575 . 1 1 100 100 ASP CA C 13 57.311 0.033 . 1 . . . . 122 ASP CA . 15789 2 576 . 1 1 100 100 ASP CB C 13 40.634 0.049 . 1 . . . . 122 ASP CB . 15789 2 577 . 1 1 101 101 GLY HA2 H 1 3.775 0.002 . 2 . . . . 123 GLY HA2 . 15789 2 578 . 1 1 101 101 GLY HA3 H 1 3.903 0.000 . 2 . . . . 123 GLY HA3 . 15789 2 579 . 1 1 101 101 GLY CA C 13 47.073 0.012 . 1 . . . . 123 GLY CA . 15789 2 580 . 1 1 102 102 VAL HA H 1 4.032 0.003 . 1 . . . . 124 VAL HA . 15789 2 581 . 1 1 102 102 VAL HB H 1 2.271 0.007 . 1 . . . . 124 VAL HB . 15789 2 582 . 1 1 102 102 VAL HG11 H 1 1.049 0.003 . 2 . . . . 124 VAL HG11 . 15789 2 583 . 1 1 102 102 VAL HG12 H 1 1.049 0.003 . 2 . . . . 124 VAL HG12 . 15789 2 584 . 1 1 102 102 VAL HG13 H 1 1.049 0.003 . 2 . . . . 124 VAL HG13 . 15789 2 585 . 1 1 102 102 VAL HG21 H 1 1.108 0.009 . 2 . . . . 124 VAL HG21 . 15789 2 586 . 1 1 102 102 VAL HG22 H 1 1.108 0.009 . 2 . . . . 124 VAL HG22 . 15789 2 587 . 1 1 102 102 VAL HG23 H 1 1.108 0.009 . 2 . . . . 124 VAL HG23 . 15789 2 588 . 1 1 102 102 VAL CA C 13 65.614 0.058 . 1 . . . . 124 VAL CA . 15789 2 589 . 1 1 102 102 VAL CB C 13 31.740 0.088 . 1 . . . . 124 VAL CB . 15789 2 590 . 1 1 102 102 VAL CG1 C 13 21.784 0.040 . 2 . . . . 124 VAL CG1 . 15789 2 591 . 1 1 102 102 VAL CG2 C 13 22.386 0.013 . 2 . . . . 124 VAL CG2 . 15789 2 592 . 1 1 103 103 LEU HA H 1 3.990 0.003 . 1 . . . . 125 LEU HA . 15789 2 593 . 1 1 103 103 LEU HB2 H 1 1.570 0.002 . 2 . . . . 125 LEU HB2 . 15789 2 594 . 1 1 103 103 LEU HB3 H 1 1.821 0.005 . 2 . . . . 125 LEU HB3 . 15789 2 595 . 1 1 103 103 LEU HD11 H 1 0.723 0.003 . 2 . . . . 125 LEU HD11 . 15789 2 596 . 1 1 103 103 LEU HD12 H 1 0.723 0.003 . 2 . . . . 125 LEU HD12 . 15789 2 597 . 1 1 103 103 LEU HD13 H 1 0.723 0.003 . 2 . . . . 125 LEU HD13 . 15789 2 598 . 1 1 103 103 LEU HD21 H 1 0.864 0.002 . 2 . . . . 125 LEU HD21 . 15789 2 599 . 1 1 103 103 LEU HD22 H 1 0.864 0.002 . 2 . . . . 125 LEU HD22 . 15789 2 600 . 1 1 103 103 LEU HD23 H 1 0.864 0.002 . 2 . . . . 125 LEU HD23 . 15789 2 601 . 1 1 103 103 LEU HG H 1 1.679 0.002 . 1 . . . . 125 LEU HG . 15789 2 602 . 1 1 103 103 LEU CA C 13 57.524 0.052 . 1 . . . . 125 LEU CA . 15789 2 603 . 1 1 103 103 LEU CB C 13 41.303 0.036 . 1 . . . . 125 LEU CB . 15789 2 604 . 1 1 103 103 LEU CD1 C 13 22.625 0.082 . 2 . . . . 125 LEU CD1 . 15789 2 605 . 1 1 103 103 LEU CD2 C 13 25.406 0.044 . 2 . . . . 125 LEU CD2 . 15789 2 606 . 1 1 103 103 LEU CG C 13 27.466 0.018 . 1 . . . . 125 LEU CG . 15789 2 607 . 1 1 104 104 ARG HA H 1 4.126 0.003 . 1 . . . . 126 ARG HA . 15789 2 608 . 1 1 104 104 ARG HB2 H 1 1.889 0.001 . 1 . . . . 126 ARG HB2 . 15789 2 609 . 1 1 104 104 ARG HB3 H 1 1.889 0.001 . 1 . . . . 126 ARG HB3 . 15789 2 610 . 1 1 104 104 ARG HD2 H 1 3.225 0.012 . 1 . . . . 126 ARG HD2 . 15789 2 611 . 1 1 104 104 ARG HD3 H 1 3.225 0.012 . 1 . . . . 126 ARG HD3 . 15789 2 612 . 1 1 104 104 ARG HG2 H 1 1.560 0.001 . 2 . . . . 126 ARG HG2 . 15789 2 613 . 1 1 104 104 ARG HG3 H 1 1.736 0.001 . 2 . . . . 126 ARG HG3 . 15789 2 614 . 1 1 104 104 ARG CA C 13 58.712 0.036 . 1 . . . . 126 ARG CA . 15789 2 615 . 1 1 104 104 ARG CB C 13 30.794 0.009 . 1 . . . . 126 ARG CB . 15789 2 616 . 1 1 104 104 ARG CD C 13 43.339 0.047 . 1 . . . . 126 ARG CD . 15789 2 617 . 1 1 104 104 ARG CG C 13 27.245 0.010 . 1 . . . . 126 ARG CG . 15789 2 618 . 1 1 105 105 ASP HA H 1 4.594 0.003 . 1 . . . . 127 ASP HA . 15789 2 619 . 1 1 105 105 ASP HB2 H 1 2.646 0.005 . 1 . . . . 127 ASP HB2 . 15789 2 620 . 1 1 105 105 ASP HB3 H 1 2.647 0.004 . 1 . . . . 127 ASP HB3 . 15789 2 621 . 1 1 105 105 ASP CA C 13 55.848 0.000 . 1 . . . . 127 ASP CA . 15789 2 622 . 1 1 105 105 ASP CB C 13 40.934 0.047 . 1 . . . . 127 ASP CB . 15789 2 623 . 1 1 106 106 ASP HA H 1 4.905 0.002 . 1 . . . . 128 ASP HA . 15789 2 624 . 1 1 106 106 ASP HB2 H 1 2.741 0.002 . 2 . . . . 128 ASP HB2 . 15789 2 625 . 1 1 106 106 ASP HB3 H 1 2.867 0.003 . 2 . . . . 128 ASP HB3 . 15789 2 626 . 1 1 106 106 ASP CA C 13 55.138 0.050 . 1 . . . . 128 ASP CA . 15789 2 627 . 1 1 106 106 ASP CB C 13 41.764 0.048 . 1 . . . . 128 ASP CB . 15789 2 628 . 1 1 107 107 ASP HA H 1 4.769 0.009 . 1 . . . . 129 ASP HA . 15789 2 629 . 1 1 107 107 ASP HB2 H 1 2.421 0.003 . 2 . . . . 129 ASP HB2 . 15789 2 630 . 1 1 107 107 ASP HB3 H 1 3.242 0.004 . 2 . . . . 129 ASP HB3 . 15789 2 631 . 1 1 107 107 ASP CA C 13 52.688 0.012 . 1 . . . . 129 ASP CA . 15789 2 632 . 1 1 107 107 ASP CB C 13 38.973 0.056 . 1 . . . . 129 ASP CB . 15789 2 633 . 1 1 108 108 LYS HA H 1 4.112 0.005 . 1 . . . . 130 LYS HA . 15789 2 634 . 1 1 108 108 LYS HB2 H 1 1.962 0.003 . 1 . . . . 130 LYS HB2 . 15789 2 635 . 1 1 108 108 LYS HB3 H 1 1.961 0.003 . 1 . . . . 130 LYS HB3 . 15789 2 636 . 1 1 108 108 LYS HD2 H 1 1.709 0.008 . 2 . . . . 130 LYS HD2 . 15789 2 637 . 1 1 108 108 LYS HD3 H 1 1.731 0.008 . 2 . . . . 130 LYS HD3 . 15789 2 638 . 1 1 108 108 LYS HE2 H 1 3.080 0.002 . 1 . . . . 130 LYS HE2 . 15789 2 639 . 1 1 108 108 LYS HE3 H 1 3.080 0.002 . 1 . . . . 130 LYS HE3 . 15789 2 640 . 1 1 108 108 LYS HG3 H 1 1.592 0.021 . 1 . . . . 130 LYS HG3 . 15789 2 641 . 1 1 108 108 LYS CA C 13 58.056 0.000 . 1 . . . . 130 LYS CA . 15789 2 642 . 1 1 108 108 LYS CB C 13 32.459 0.042 . 1 . . . . 130 LYS CB . 15789 2 643 . 1 1 108 108 LYS CD C 13 28.183 0.086 . 1 . . . . 130 LYS CD . 15789 2 644 . 1 1 108 108 LYS CE C 13 41.980 0.012 . 1 . . . . 130 LYS CE . 15789 2 645 . 1 1 108 108 LYS CG C 13 24.515 0.045 . 1 . . . . 130 LYS CG . 15789 2 646 . 1 1 109 109 ASN HA H 1 4.860 0.002 . 1 . . . . 131 ASN HA . 15789 2 647 . 1 1 109 109 ASN HB2 H 1 2.796 0.001 . 2 . . . . 131 ASN HB2 . 15789 2 648 . 1 1 109 109 ASN HB3 H 1 3.293 0.001 . 2 . . . . 131 ASN HB3 . 15789 2 649 . 1 1 109 109 ASN CA C 13 51.413 0.054 . 1 . . . . 131 ASN CA . 15789 2 650 . 1 1 109 109 ASN CB C 13 36.853 0.009 . 1 . . . . 131 ASN CB . 15789 2 651 . 1 1 110 110 ASN HA H 1 4.404 0.001 . 1 . . . . 132 ASN HA . 15789 2 652 . 1 1 110 110 ASN HB2 H 1 2.652 0.001 . 2 . . . . 132 ASN HB2 . 15789 2 653 . 1 1 110 110 ASN HB3 H 1 3.063 0.001 . 2 . . . . 132 ASN HB3 . 15789 2 654 . 1 1 110 110 ASN CA C 13 54.877 0.001 . 1 . . . . 132 ASN CA . 15789 2 655 . 1 1 110 110 ASN CB C 13 37.805 0.012 . 1 . . . . 132 ASN CB . 15789 2 656 . 1 1 111 111 ASP HA H 1 4.729 0.001 . 1 . . . . 133 ASP HA . 15789 2 657 . 1 1 111 111 ASP HB2 H 1 2.540 0.002 . 2 . . . . 133 ASP HB2 . 15789 2 658 . 1 1 111 111 ASP HB3 H 1 3.198 0.003 . 2 . . . . 133 ASP HB3 . 15789 2 659 . 1 1 111 111 ASP CA C 13 53.063 0.059 . 1 . . . . 133 ASP CA . 15789 2 660 . 1 1 111 111 ASP CB C 13 41.068 0.063 . 1 . . . . 133 ASP CB . 15789 2 661 . 1 1 112 112 GLY HA2 H 1 3.372 0.007 . 2 . . . . 134 GLY HA2 . 15789 2 662 . 1 1 112 112 GLY HA3 H 1 3.928 0.006 . 2 . . . . 134 GLY HA3 . 15789 2 663 . 1 1 112 112 GLY CA C 13 45.200 0.050 . 1 . . . . 134 GLY CA . 15789 2 664 . 1 1 113 113 TYR HA H 1 5.020 0.005 . 1 . . . . 135 TYR HA . 15789 2 665 . 1 1 113 113 TYR HB2 H 1 2.675 0.007 . 2 . . . . 135 TYR HB2 . 15789 2 666 . 1 1 113 113 TYR HB3 H 1 2.753 0.003 . 2 . . . . 135 TYR HB3 . 15789 2 667 . 1 1 113 113 TYR HD1 H 1 6.725 0.003 . 3 . . . . 135 TYR HD1 . 15789 2 668 . 1 1 113 113 TYR HD2 H 1 6.725 0.003 . 3 . . . . 135 TYR HD2 . 15789 2 669 . 1 1 113 113 TYR HE1 H 1 6.833 0.005 . 3 . . . . 135 TYR HE1 . 15789 2 670 . 1 1 113 113 TYR HE2 H 1 6.833 0.005 . 3 . . . . 135 TYR HE2 . 15789 2 671 . 1 1 113 113 TYR CA C 13 55.455 0.039 . 1 . . . . 135 TYR CA . 15789 2 672 . 1 1 113 113 TYR CB C 13 44.063 0.094 . 1 . . . . 135 TYR CB . 15789 2 673 . 1 1 113 113 TYR CD1 C 13 134.245 0.056 . 3 . . . . 135 TYR CD1 . 15789 2 674 . 1 1 113 113 TYR CD2 C 13 134.245 0.056 . 3 . . . . 135 TYR CD2 . 15789 2 675 . 1 1 113 113 TYR CE1 C 13 117.481 0.043 . 3 . . . . 135 TYR CE1 . 15789 2 676 . 1 1 113 113 TYR CE2 C 13 117.481 0.043 . 3 . . . . 135 TYR CE2 . 15789 2 677 . 1 1 114 114 ILE HA H 1 5.476 0.004 . 1 . . . . 136 ILE HA . 15789 2 678 . 1 1 114 114 ILE HB H 1 2.262 0.004 . 1 . . . . 136 ILE HB . 15789 2 679 . 1 1 114 114 ILE HD11 H 1 0.707 0.005 . 1 . . . . 136 ILE HD11 . 15789 2 680 . 1 1 114 114 ILE HD12 H 1 0.707 0.005 . 1 . . . . 136 ILE HD12 . 15789 2 681 . 1 1 114 114 ILE HD13 H 1 0.707 0.005 . 1 . . . . 136 ILE HD13 . 15789 2 682 . 1 1 114 114 ILE HG12 H 1 1.350 0.003 . 2 . . . . 136 ILE HG12 . 15789 2 683 . 1 1 114 114 ILE HG13 H 1 1.558 0.001 . 2 . . . . 136 ILE HG13 . 15789 2 684 . 1 1 114 114 ILE HG21 H 1 1.244 0.004 . 1 . . . . 136 ILE HG21 . 15789 2 685 . 1 1 114 114 ILE HG22 H 1 1.244 0.004 . 1 . . . . 136 ILE HG22 . 15789 2 686 . 1 1 114 114 ILE HG23 H 1 1.244 0.004 . 1 . . . . 136 ILE HG23 . 15789 2 687 . 1 1 114 114 ILE CA C 13 56.633 0.031 . 1 . . . . 136 ILE CA . 15789 2 688 . 1 1 114 114 ILE CB C 13 37.473 0.021 . 1 . . . . 136 ILE CB . 15789 2 689 . 1 1 114 114 ILE CD1 C 13 9.637 0.041 . 1 . . . . 136 ILE CD1 . 15789 2 690 . 1 1 114 114 ILE CG1 C 13 26.863 0.057 . 1 . . . . 136 ILE CG1 . 15789 2 691 . 1 1 114 114 ILE CG2 C 13 17.492 0.070 . 1 . . . . 136 ILE CG2 . 15789 2 692 . 1 1 115 115 ASP HA H 1 5.150 0.003 . 1 . . . . 137 ASP HA . 15789 2 693 . 1 1 115 115 ASP HB2 H 1 2.725 0.001 . 2 . . . . 137 ASP HB2 . 15789 2 694 . 1 1 115 115 ASP HB3 H 1 3.336 0.007 . 2 . . . . 137 ASP HB3 . 15789 2 695 . 1 1 115 115 ASP CA C 13 52.205 0.041 . 1 . . . . 137 ASP CA . 15789 2 696 . 1 1 115 115 ASP CB C 13 41.448 0.022 . 1 . . . . 137 ASP CB . 15789 2 697 . 1 1 116 116 TYR HA H 1 3.341 0.003 . 1 . . . . 138 TYR HA . 15789 2 698 . 1 1 116 116 TYR HB2 H 1 1.929 0.008 . 2 . . . . 138 TYR HB2 . 15789 2 699 . 1 1 116 116 TYR HB3 H 1 2.356 0.001 . 2 . . . . 138 TYR HB3 . 15789 2 700 . 1 1 116 116 TYR HD1 H 1 6.609 0.005 . 3 . . . . 138 TYR HD1 . 15789 2 701 . 1 1 116 116 TYR HD2 H 1 6.609 0.005 . 3 . . . . 138 TYR HD2 . 15789 2 702 . 1 1 116 116 TYR HE1 H 1 6.651 0.005 . 3 . . . . 138 TYR HE1 . 15789 2 703 . 1 1 116 116 TYR HE2 H 1 6.651 0.005 . 3 . . . . 138 TYR HE2 . 15789 2 704 . 1 1 116 116 TYR CA C 13 62.323 0.040 . 1 . . . . 138 TYR CA . 15789 2 705 . 1 1 116 116 TYR CB C 13 37.379 0.045 . 1 . . . . 138 TYR CB . 15789 2 706 . 1 1 116 116 TYR CD1 C 13 132.919 0.015 . 3 . . . . 138 TYR CD1 . 15789 2 707 . 1 1 116 116 TYR CD2 C 13 132.919 0.015 . 3 . . . . 138 TYR CD2 . 15789 2 708 . 1 1 116 116 TYR CE1 C 13 117.990 0.063 . 3 . . . . 138 TYR CE1 . 15789 2 709 . 1 1 116 116 TYR CE2 C 13 117.990 0.063 . 3 . . . . 138 TYR CE2 . 15789 2 710 . 1 1 117 117 ALA HA H 1 3.779 0.004 . 1 . . . . 139 ALA HA . 15789 2 711 . 1 1 117 117 ALA HB1 H 1 1.414 0.006 . 1 . . . . 139 ALA HB1 . 15789 2 712 . 1 1 117 117 ALA HB2 H 1 1.414 0.006 . 1 . . . . 139 ALA HB2 . 15789 2 713 . 1 1 117 117 ALA HB3 H 1 1.414 0.006 . 1 . . . . 139 ALA HB3 . 15789 2 714 . 1 1 117 117 ALA CA C 13 54.886 0.003 . 1 . . . . 139 ALA CA . 15789 2 715 . 1 1 117 117 ALA CB C 13 17.860 0.074 . 1 . . . . 139 ALA CB . 15789 2 716 . 1 1 118 118 GLU HA H 1 4.115 0.005 . 1 . . . . 140 GLU HA . 15789 2 717 . 1 1 118 118 GLU HB2 H 1 2.190 0.006 . 2 . . . . 140 GLU HB2 . 15789 2 718 . 1 1 118 118 GLU HB3 H 1 2.574 0.002 . 2 . . . . 140 GLU HB3 . 15789 2 719 . 1 1 118 118 GLU HG2 H 1 2.394 0.007 . 2 . . . . 140 GLU HG2 . 15789 2 720 . 1 1 118 118 GLU HG3 H 1 3.005 0.005 . 2 . . . . 140 GLU HG3 . 15789 2 721 . 1 1 118 118 GLU CA C 13 58.073 0.025 . 1 . . . . 140 GLU CA . 15789 2 722 . 1 1 118 118 GLU CB C 13 30.101 0.038 . 1 . . . . 140 GLU CB . 15789 2 723 . 1 1 118 118 GLU CG C 13 36.969 0.049 . 1 . . . . 140 GLU CG . 15789 2 724 . 1 1 119 119 PHE HA H 1 4.064 0.002 . 1 . . . . 141 PHE HA . 15789 2 725 . 1 1 119 119 PHE HB2 H 1 3.213 0.005 . 2 . . . . 141 PHE HB2 . 15789 2 726 . 1 1 119 119 PHE HB3 H 1 3.342 0.002 . 2 . . . . 141 PHE HB3 . 15789 2 727 . 1 1 119 119 PHE HD1 H 1 7.136 0.005 . 3 . . . . 141 PHE HD1 . 15789 2 728 . 1 1 119 119 PHE HD2 H 1 7.136 0.005 . 3 . . . . 141 PHE HD2 . 15789 2 729 . 1 1 119 119 PHE HE1 H 1 6.615 0.002 . 3 . . . . 141 PHE HE1 . 15789 2 730 . 1 1 119 119 PHE HE2 H 1 6.615 0.002 . 3 . . . . 141 PHE HE2 . 15789 2 731 . 1 1 119 119 PHE CA C 13 60.357 0.024 . 1 . . . . 141 PHE CA . 15789 2 732 . 1 1 119 119 PHE CB C 13 40.253 0.073 . 1 . . . . 141 PHE CB . 15789 2 733 . 1 1 119 119 PHE CD1 C 13 131.916 0.045 . 3 . . . . 141 PHE CD1 . 15789 2 734 . 1 1 119 119 PHE CD2 C 13 131.916 0.045 . 3 . . . . 141 PHE CD2 . 15789 2 735 . 1 1 119 119 PHE CE1 C 13 131.129 0.092 . 3 . . . . 141 PHE CE1 . 15789 2 736 . 1 1 119 119 PHE CE2 C 13 131.129 0.092 . 3 . . . . 141 PHE CE2 . 15789 2 737 . 1 1 120 120 ALA HA H 1 3.665 0.004 . 1 . . . . 142 ALA HA . 15789 2 738 . 1 1 120 120 ALA HB1 H 1 1.120 0.004 . 1 . . . . 142 ALA HB1 . 15789 2 739 . 1 1 120 120 ALA HB2 H 1 1.120 0.004 . 1 . . . . 142 ALA HB2 . 15789 2 740 . 1 1 120 120 ALA HB3 H 1 1.120 0.004 . 1 . . . . 142 ALA HB3 . 15789 2 741 . 1 1 120 120 ALA CA C 13 54.712 0.014 . 1 . . . . 142 ALA CA . 15789 2 742 . 1 1 120 120 ALA CB C 13 17.678 0.069 . 1 . . . . 142 ALA CB . 15789 2 743 . 1 1 121 121 LYS HA H 1 4.028 0.003 . 1 . . . . 143 LYS HA . 15789 2 744 . 1 1 121 121 LYS HB2 H 1 1.908 0.024 . 2 . . . . 143 LYS HB2 . 15789 2 745 . 1 1 121 121 LYS HB3 H 1 1.922 0.023 . 2 . . . . 143 LYS HB3 . 15789 2 746 . 1 1 121 121 LYS HD3 H 1 1.685 0.004 . 1 . . . . 143 LYS HD3 . 15789 2 747 . 1 1 121 121 LYS HE2 H 1 2.984 0.002 . 1 . . . . 143 LYS HE2 . 15789 2 748 . 1 1 121 121 LYS HE3 H 1 2.984 0.002 . 1 . . . . 143 LYS HE3 . 15789 2 749 . 1 1 121 121 LYS HG2 H 1 1.485 0.002 . 1 . . . . 143 LYS HG2 . 15789 2 750 . 1 1 121 121 LYS CA C 13 57.939 0.050 . 1 . . . . 143 LYS CA . 15789 2 751 . 1 1 121 121 LYS CB C 13 31.865 0.037 . 1 . . . . 143 LYS CB . 15789 2 752 . 1 1 121 121 LYS CD C 13 28.882 0.024 . 1 . . . . 143 LYS CD . 15789 2 753 . 1 1 121 121 LYS CE C 13 43.959 0.000 . 1 . . . . 143 LYS CE . 15789 2 754 . 1 1 121 121 LYS CG C 13 25.030 0.062 . 1 . . . . 143 LYS CG . 15789 2 755 . 1 1 122 122 SER HA H 1 4.280 0.001 . 1 . . . . 144 SER HA . 15789 2 756 . 1 1 122 122 SER HB2 H 1 3.846 0.001 . 2 . . . . 144 SER HB2 . 15789 2 757 . 1 1 122 122 SER HB3 H 1 3.884 0.001 . 2 . . . . 144 SER HB3 . 15789 2 758 . 1 1 122 122 SER CA C 13 60.482 0.005 . 1 . . . . 144 SER CA . 15789 2 759 . 1 1 122 122 SER CB C 13 63.234 0.022 . 1 . . . . 144 SER CB . 15789 2 760 . 1 1 123 123 LEU HA H 1 4.250 0.002 . 1 . . . . 145 LEU HA . 15789 2 761 . 1 1 123 123 LEU HB2 H 1 1.462 0.001 . 2 . . . . 145 LEU HB2 . 15789 2 762 . 1 1 123 123 LEU HB3 H 1 1.551 0.001 . 2 . . . . 145 LEU HB3 . 15789 2 763 . 1 1 123 123 LEU HD11 H 1 0.498 0.003 . 2 . . . . 145 LEU HD11 . 15789 2 764 . 1 1 123 123 LEU HD12 H 1 0.498 0.003 . 2 . . . . 145 LEU HD12 . 15789 2 765 . 1 1 123 123 LEU HD13 H 1 0.498 0.003 . 2 . . . . 145 LEU HD13 . 15789 2 766 . 1 1 123 123 LEU HD21 H 1 0.598 0.002 . 2 . . . . 145 LEU HD21 . 15789 2 767 . 1 1 123 123 LEU HD22 H 1 0.598 0.002 . 2 . . . . 145 LEU HD22 . 15789 2 768 . 1 1 123 123 LEU HD23 H 1 0.598 0.002 . 2 . . . . 145 LEU HD23 . 15789 2 769 . 1 1 123 123 LEU HG H 1 1.352 0.001 . 1 . . . . 145 LEU HG . 15789 2 770 . 1 1 123 123 LEU CA C 13 54.897 0.010 . 1 . . . . 145 LEU CA . 15789 2 771 . 1 1 123 123 LEU CB C 13 41.892 0.006 . 1 . . . . 145 LEU CB . 15789 2 772 . 1 1 123 123 LEU CD1 C 13 25.432 0.030 . 2 . . . . 145 LEU CD1 . 15789 2 773 . 1 1 123 123 LEU CD2 C 13 22.746 0.060 . 2 . . . . 145 LEU CD2 . 15789 2 774 . 1 1 123 123 LEU CG C 13 26.490 0.011 . 1 . . . . 145 LEU CG . 15789 2 775 . 1 1 124 124 GLN HA H 1 4.047 0.003 . 1 . . . . 146 GLN HA . 15789 2 776 . 1 1 124 124 GLN HB2 H 1 1.997 0.003 . 2 . . . . 146 GLN HB2 . 15789 2 777 . 1 1 124 124 GLN HB3 H 1 2.115 0.001 . 2 . . . . 146 GLN HB3 . 15789 2 778 . 1 1 124 124 GLN HG2 H 1 2.369 0.001 . 2 . . . . 146 GLN HG2 . 15789 2 779 . 1 1 124 124 GLN HG3 H 1 2.411 0.001 . 2 . . . . 146 GLN HG3 . 15789 2 780 . 1 1 124 124 GLN CA C 13 57.634 0.034 . 1 . . . . 146 GLN CA . 15789 2 781 . 1 1 124 124 GLN CB C 13 29.965 0.073 . 1 . . . . 146 GLN CB . 15789 2 782 . 1 1 124 124 GLN CG C 13 34.332 0.015 . 1 . . . . 146 GLN CG . 15789 2 stop_ save_