################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51726 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51726 1 2 '2D 1H-13C HSQC aliphatic' . . . 51726 1 3 '2D 1H-13C HSQC aromatic' . . . 51726 1 4 '2D (HB)CB(CGCD)HD' . . . 51726 1 5 '2D 1H-1H TOCSY' . . . 51726 1 6 '3D CBCACONH' . . . 51726 1 7 '3D HNCACB' . . . 51726 1 8 '3D HNCA' . . . 51726 1 9 '3D HNCO' . . . 51726 1 10 '3D HN(CO)CA' . . . 51726 1 11 '3D H(C)CH-TOCSY' . . . 51726 1 12 '3D (H)CCH-TOCSY' . . . 51726 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 51726 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 25 25 VAL H H 1 8.173 0.019 . 1 . . . . . 21 VAL H . 51726 1 2 . 1 . 1 25 25 VAL HA H 1 4.005 0.005 . 1 . . . . . 21 VAL HA . 51726 1 3 . 1 . 1 25 25 VAL HB H 1 1.824 0.009 . 1 . . . . . 21 VAL HB . 51726 1 4 . 1 . 1 25 25 VAL HG11 H 1 0.718 0.002 . 2 . . . . . 21 VAL MG1 . 51726 1 5 . 1 . 1 25 25 VAL HG12 H 1 0.718 0.002 . 2 . . . . . 21 VAL MG1 . 51726 1 6 . 1 . 1 25 25 VAL HG13 H 1 0.718 0.002 . 2 . . . . . 21 VAL MG1 . 51726 1 7 . 1 . 1 25 25 VAL HG21 H 1 0.796 0.003 . 2 . . . . . 21 VAL MG2 . 51726 1 8 . 1 . 1 25 25 VAL HG22 H 1 0.796 0.003 . 2 . . . . . 21 VAL MG2 . 51726 1 9 . 1 . 1 25 25 VAL HG23 H 1 0.796 0.003 . 2 . . . . . 21 VAL MG2 . 51726 1 10 . 1 . 1 25 25 VAL CA C 13 62.295 0.08 . 1 . . . . . 21 VAL CA . 51726 1 11 . 1 . 1 25 25 VAL CB C 13 32.024 0.065 . 1 . . . . . 21 VAL CB . 51726 1 12 . 1 . 1 25 25 VAL CG1 C 13 21.953 0.034 . 2 . . . . . 21 VAL CG1 . 51726 1 13 . 1 . 1 25 25 VAL CG2 C 13 21.03 0.047 . 2 . . . . . 21 VAL CG2 . 51726 1 14 . 1 . 1 25 25 VAL N N 15 123.346 0.107 . 1 . . . . . 21 VAL N . 51726 1 15 . 1 . 1 26 26 ILE H H 1 8.867 0.002 . 1 . . . . . 22 ILE H . 51726 1 16 . 1 . 1 26 26 ILE HA H 1 3.809 0.009 . 1 . . . . . 22 ILE HA . 51726 1 17 . 1 . 1 26 26 ILE HB H 1 0.048 0.003 . 1 . . . . . 22 ILE HB . 51726 1 18 . 1 . 1 26 26 ILE HG12 H 1 0.741 0.003 . 2 . . . . . 22 ILE HG12 . 51726 1 19 . 1 . 1 26 26 ILE HG13 H 1 0.859 0.004 . 2 . . . . . 22 ILE HG13 . 51726 1 20 . 1 . 1 26 26 ILE HG21 H 1 0.442 0.004 . 1 . . . . . 22 ILE MG . 51726 1 21 . 1 . 1 26 26 ILE HG22 H 1 0.442 0.004 . 1 . . . . . 22 ILE MG . 51726 1 22 . 1 . 1 26 26 ILE HG23 H 1 0.442 0.004 . 1 . . . . . 22 ILE MG . 51726 1 23 . 1 . 1 26 26 ILE HD11 H 1 0.27 0.006 . 1 . . . . . 22 ILE MD . 51726 1 24 . 1 . 1 26 26 ILE HD12 H 1 0.27 0.006 . 1 . . . . . 22 ILE MD . 51726 1 25 . 1 . 1 26 26 ILE HD13 H 1 0.27 0.006 . 1 . . . . . 22 ILE MD . 51726 1 26 . 1 . 1 26 26 ILE CA C 13 59.122 0.061 . 1 . . . . . 22 ILE CA . 51726 1 27 . 1 . 1 26 26 ILE CB C 13 37.2 0.093 . 1 . . . . . 22 ILE CB . 51726 1 28 . 1 . 1 26 26 ILE CG1 C 13 26.545 0.091 . 1 . . . . . 22 ILE CG1 . 51726 1 29 . 1 . 1 26 26 ILE CG2 C 13 20.654 0.047 . 1 . . . . . 22 ILE CG2 . 51726 1 30 . 1 . 1 26 26 ILE CD1 C 13 12.437 0.066 . 1 . . . . . 22 ILE CD1 . 51726 1 31 . 1 . 1 26 26 ILE N N 15 130.907 0.025 . 1 . . . . . 22 ILE N . 51726 1 32 . 1 . 1 27 27 LYS H H 1 7.89 0.002 . 1 . . . . . 23 LYS H . 51726 1 33 . 1 . 1 27 27 LYS HA H 1 4.789 0.007 . 1 . . . . . 23 LYS HA . 51726 1 34 . 1 . 1 27 27 LYS HB2 H 1 1.499 0.005 . 2 . . . . . 23 LYS HB2 . 51726 1 35 . 1 . 1 27 27 LYS HB3 H 1 1.759 0.003 . 2 . . . . . 23 LYS HB3 . 51726 1 36 . 1 . 1 27 27 LYS HG2 H 1 1.165 0.002 . 2 . . . . . 23 LYS HG2 . 51726 1 37 . 1 . 1 27 27 LYS HG3 H 1 1.311 0.002 . 2 . . . . . 23 LYS HG3 . 51726 1 38 . 1 . 1 27 27 LYS HD2 H 1 1.517 0.004 . 2 . . . . . 23 LYS HD2 . 51726 1 39 . 1 . 1 27 27 LYS HD3 H 1 1.517 0.004 . 2 . . . . . 23 LYS HD3 . 51726 1 40 . 1 . 1 27 27 LYS HE2 H 1 2.815 0 . 2 . . . . . 23 LYS HE2 . 51726 1 41 . 1 . 1 27 27 LYS HE3 H 1 2.815 0 . 2 . . . . . 23 LYS HE3 . 51726 1 42 . 1 . 1 27 27 LYS CA C 13 55.187 0.061 . 1 . . . . . 23 LYS CA . 51726 1 43 . 1 . 1 27 27 LYS CB C 13 34.503 0.082 . 1 . . . . . 23 LYS CB . 51726 1 44 . 1 . 1 27 27 LYS CG C 13 25.174 0.115 . 1 . . . . . 23 LYS CG . 51726 1 45 . 1 . 1 27 27 LYS CD C 13 29.194 0.06 . 1 . . . . . 23 LYS CD . 51726 1 46 . 1 . 1 27 27 LYS CE C 13 42.133 0.055 . 1 . . . . . 23 LYS CE . 51726 1 47 . 1 . 1 27 27 LYS N N 15 124.39 0.031 . 1 . . . . . 23 LYS N . 51726 1 48 . 1 . 1 28 28 GLY H H 1 7.997 0.01 . 1 . . . . . 24 GLY H . 51726 1 49 . 1 . 1 28 28 GLY HA2 H 1 4.35 0.006 . 2 . . . . . 24 GLY HA2 . 51726 1 50 . 1 . 1 28 28 GLY HA3 H 1 2.803 0.018 . 2 . . . . . 24 GLY HA3 . 51726 1 51 . 1 . 1 28 28 GLY CA C 13 44.241 0.076 . 1 . . . . . 24 GLY CA . 51726 1 52 . 1 . 1 28 28 GLY N N 15 106.446 0.043 . 1 . . . . . 24 GLY N . 51726 1 53 . 1 . 1 29 29 THR H H 1 8.704 0.002 . 1 . . . . . 25 THR H . 51726 1 54 . 1 . 1 29 29 THR HA H 1 5.452 0.005 . 1 . . . . . 25 THR HA . 51726 1 55 . 1 . 1 29 29 THR HB H 1 4.09 0.009 . 1 . . . . . 25 THR HB . 51726 1 56 . 1 . 1 29 29 THR HG21 H 1 1.234 0.004 . 1 . . . . . 25 THR MG . 51726 1 57 . 1 . 1 29 29 THR HG22 H 1 1.234 0.004 . 1 . . . . . 25 THR MG . 51726 1 58 . 1 . 1 29 29 THR HG23 H 1 1.234 0.004 . 1 . . . . . 25 THR MG . 51726 1 59 . 1 . 1 29 29 THR CA C 13 60.253 0.068 . 1 . . . . . 25 THR CA . 51726 1 60 . 1 . 1 29 29 THR CB C 13 71.996 0.064 . 1 . . . . . 25 THR CB . 51726 1 61 . 1 . 1 29 29 THR CG2 C 13 20.635 0.096 . 1 . . . . . 25 THR CG2 . 51726 1 62 . 1 . 1 29 29 THR N N 15 114.145 0.092 . 1 . . . . . 25 THR N . 51726 1 63 . 1 . 1 30 30 GLY H H 1 9.045 0.003 . 1 . . . . . 26 GLY H . 51726 1 64 . 1 . 1 30 30 GLY HA2 H 1 4.585 0.011 . 2 . . . . . 26 GLY HA2 . 51726 1 65 . 1 . 1 30 30 GLY HA3 H 1 4.386 0.008 . 2 . . . . . 26 GLY HA3 . 51726 1 66 . 1 . 1 30 30 GLY CA C 13 47.472 0.118 . 1 . . . . . 26 GLY CA . 51726 1 67 . 1 . 1 30 30 GLY N N 15 110.18 0.057 . 1 . . . . . 26 GLY N . 51726 1 68 . 1 . 1 31 31 ILE H H 1 8.226 0.014 . 1 . . . . . 27 ILE H . 51726 1 69 . 1 . 1 31 31 ILE HA H 1 4.908 0.006 . 1 . . . . . 27 ILE HA . 51726 1 70 . 1 . 1 31 31 ILE HB H 1 1.532 0.005 . 1 . . . . . 27 ILE HB . 51726 1 71 . 1 . 1 31 31 ILE HG12 H 1 0.633 0.013 . 2 . . . . . 27 ILE HG12 . 51726 1 72 . 1 . 1 31 31 ILE HG13 H 1 1.415 0.007 . 2 . . . . . 27 ILE HG13 . 51726 1 73 . 1 . 1 31 31 ILE HG21 H 1 0.69 0.003 . 1 . . . . . 27 ILE MG . 51726 1 74 . 1 . 1 31 31 ILE HG22 H 1 0.69 0.003 . 1 . . . . . 27 ILE MG . 51726 1 75 . 1 . 1 31 31 ILE HG23 H 1 0.69 0.003 . 1 . . . . . 27 ILE MG . 51726 1 76 . 1 . 1 31 31 ILE HD11 H 1 0.742 0.006 . 1 . . . . . 27 ILE MD . 51726 1 77 . 1 . 1 31 31 ILE HD12 H 1 0.742 0.006 . 1 . . . . . 27 ILE MD . 51726 1 78 . 1 . 1 31 31 ILE HD13 H 1 0.742 0.006 . 1 . . . . . 27 ILE MD . 51726 1 79 . 1 . 1 31 31 ILE CA C 13 58.924 0.075 . 1 . . . . . 27 ILE CA . 51726 1 80 . 1 . 1 31 31 ILE CB C 13 41.86 0.099 . 1 . . . . . 27 ILE CB . 51726 1 81 . 1 . 1 31 31 ILE CG1 C 13 27.567 0.085 . 1 . . . . . 27 ILE CG1 . 51726 1 82 . 1 . 1 31 31 ILE CG2 C 13 16.847 0.079 . 1 . . . . . 27 ILE CG2 . 51726 1 83 . 1 . 1 31 31 ILE CD1 C 13 12.786 0.059 . 1 . . . . . 27 ILE CD1 . 51726 1 84 . 1 . 1 31 31 ILE N N 15 120.265 0.105 . 1 . . . . . 27 ILE N . 51726 1 85 . 1 . 1 32 32 VAL H H 1 8.81 0.013 . 1 . . . . . 28 VAL H . 51726 1 86 . 1 . 1 32 32 VAL HA H 1 3.741 0.009 . 1 . . . . . 28 VAL HA . 51726 1 87 . 1 . 1 32 32 VAL HB H 1 2.213 0.002 . 1 . . . . . 28 VAL HB . 51726 1 88 . 1 . 1 32 32 VAL HG11 H 1 0.721 0.003 . 2 . . . . . 28 VAL MG1 . 51726 1 89 . 1 . 1 32 32 VAL HG12 H 1 0.721 0.003 . 2 . . . . . 28 VAL MG1 . 51726 1 90 . 1 . 1 32 32 VAL HG13 H 1 0.721 0.003 . 2 . . . . . 28 VAL MG1 . 51726 1 91 . 1 . 1 32 32 VAL HG21 H 1 0.903 0.003 . 2 . . . . . 28 VAL MG2 . 51726 1 92 . 1 . 1 32 32 VAL HG22 H 1 0.903 0.003 . 2 . . . . . 28 VAL MG2 . 51726 1 93 . 1 . 1 32 32 VAL HG23 H 1 0.903 0.003 . 2 . . . . . 28 VAL MG2 . 51726 1 94 . 1 . 1 32 32 VAL CA C 13 64.192 0.126 . 1 . . . . . 28 VAL CA . 51726 1 95 . 1 . 1 32 32 VAL CB C 13 32.128 0.086 . 1 . . . . . 28 VAL CB . 51726 1 96 . 1 . 1 32 32 VAL CG1 C 13 22.11 0.094 . 2 . . . . . 28 VAL CG1 . 51726 1 97 . 1 . 1 32 32 VAL CG2 C 13 23.748 0.159 . 2 . . . . . 28 VAL CG2 . 51726 1 98 . 1 . 1 32 32 VAL N N 15 126.592 0.038 . 1 . . . . . 28 VAL N . 51726 1 99 . 1 . 1 33 33 LYS H H 1 9.132 0.003 . 1 . . . . . 29 LYS H . 51726 1 100 . 1 . 1 33 33 LYS HA H 1 4.595 0.004 . 1 . . . . . 29 LYS HA . 51726 1 101 . 1 . 1 33 33 LYS HB2 H 1 1.388 0.006 . 2 . . . . . 29 LYS HB2 . 51726 1 102 . 1 . 1 33 33 LYS HB3 H 1 1.804 0 . 2 . . . . . 29 LYS HB3 . 51726 1 103 . 1 . 1 33 33 LYS HG2 H 1 1.397 0.007 . 2 . . . . . 29 LYS HG2 . 51726 1 104 . 1 . 1 33 33 LYS HG3 H 1 1.397 0.007 . 2 . . . . . 29 LYS HG3 . 51726 1 105 . 1 . 1 33 33 LYS HE2 H 1 2.971 0 . 2 . . . . . 29 LYS HE2 . 51726 1 106 . 1 . 1 33 33 LYS HE3 H 1 2.971 0 . 2 . . . . . 29 LYS HE3 . 51726 1 107 . 1 . 1 33 33 LYS CA C 13 54.735 0.095 . 1 . . . . . 29 LYS CA . 51726 1 108 . 1 . 1 33 33 LYS CB C 13 33.121 0.026 . 1 . . . . . 29 LYS CB . 51726 1 109 . 1 . 1 33 33 LYS CG C 13 24.052 0.067 . 1 . . . . . 29 LYS CG . 51726 1 110 . 1 . 1 33 33 LYS CD C 13 29.062 0 . 1 . . . . . 29 LYS CD . 51726 1 111 . 1 . 1 33 33 LYS CE C 13 42.018 0 . 1 . . . . . 29 LYS CE . 51726 1 112 . 1 . 1 33 33 LYS N N 15 128.598 0.026 . 1 . . . . . 29 LYS N . 51726 1 113 . 1 . 1 34 34 ASP H H 1 7.571 0.005 . 1 . . . . . 30 ASP H . 51726 1 114 . 1 . 1 34 34 ASP HA H 1 4.678 0.009 . 1 . . . . . 30 ASP HA . 51726 1 115 . 1 . 1 34 34 ASP HB2 H 1 2.37 0.003 . 2 . . . . . 30 ASP HB2 . 51726 1 116 . 1 . 1 34 34 ASP HB3 H 1 2.692 0.009 . 2 . . . . . 30 ASP HB3 . 51726 1 117 . 1 . 1 34 34 ASP CA C 13 54.592 0.065 . 1 . . . . . 30 ASP CA . 51726 1 118 . 1 . 1 34 34 ASP CB C 13 44.012 0.045 . 1 . . . . . 30 ASP CB . 51726 1 119 . 1 . 1 34 34 ASP N N 15 115.862 0.024 . 1 . . . . . 30 ASP N . 51726 1 120 . 1 . 1 35 35 ILE H H 1 8.592 0.003 . 1 . . . . . 31 ILE H . 51726 1 121 . 1 . 1 35 35 ILE HA H 1 4.221 0.006 . 1 . . . . . 31 ILE HA . 51726 1 122 . 1 . 1 35 35 ILE HB H 1 1.662 0.004 . 1 . . . . . 31 ILE HB . 51726 1 123 . 1 . 1 35 35 ILE HG12 H 1 0.734 0.008 . 2 . . . . . 31 ILE HG12 . 51726 1 124 . 1 . 1 35 35 ILE HG13 H 1 1.303 0.006 . 2 . . . . . 31 ILE HG13 . 51726 1 125 . 1 . 1 35 35 ILE HG21 H 1 0.805 0.004 . 1 . . . . . 31 ILE MG . 51726 1 126 . 1 . 1 35 35 ILE HG22 H 1 0.805 0.004 . 1 . . . . . 31 ILE MG . 51726 1 127 . 1 . 1 35 35 ILE HG23 H 1 0.805 0.004 . 1 . . . . . 31 ILE MG . 51726 1 128 . 1 . 1 35 35 ILE HD11 H 1 0.705 0.004 . 1 . . . . . 31 ILE MD . 51726 1 129 . 1 . 1 35 35 ILE HD12 H 1 0.705 0.004 . 1 . . . . . 31 ILE MD . 51726 1 130 . 1 . 1 35 35 ILE HD13 H 1 0.705 0.004 . 1 . . . . . 31 ILE MD . 51726 1 131 . 1 . 1 35 35 ILE CA C 13 62.2 0.086 . 1 . . . . . 31 ILE CA . 51726 1 132 . 1 . 1 35 35 ILE CB C 13 41.543 0.069 . 1 . . . . . 31 ILE CB . 51726 1 133 . 1 . 1 35 35 ILE CG1 C 13 28.406 0.101 . 1 . . . . . 31 ILE CG1 . 51726 1 134 . 1 . 1 35 35 ILE CG2 C 13 17.778 0.13 . 1 . . . . . 31 ILE CG2 . 51726 1 135 . 1 . 1 35 35 ILE CD1 C 13 15.435 0.059 . 1 . . . . . 31 ILE CD1 . 51726 1 136 . 1 . 1 35 35 ILE N N 15 123.991 0.038 . 1 . . . . . 31 ILE N . 51726 1 137 . 1 . 1 36 36 ASP H H 1 8.648 0.008 . 1 . . . . . 32 ASP H . 51726 1 138 . 1 . 1 36 36 ASP HA H 1 5.029 0.005 . 1 . . . . . 32 ASP HA . 51726 1 139 . 1 . 1 36 36 ASP HB2 H 1 2.538 0.01 . 2 . . . . . 32 ASP HB2 . 51726 1 140 . 1 . 1 36 36 ASP HB3 H 1 2.995 0.003 . 2 . . . . . 32 ASP HB3 . 51726 1 141 . 1 . 1 36 36 ASP CA C 13 51.907 0.069 . 1 . . . . . 32 ASP CA . 51726 1 142 . 1 . 1 36 36 ASP CB C 13 41.569 0.059 . 1 . . . . . 32 ASP CB . 51726 1 143 . 1 . 1 36 36 ASP N N 15 126.844 0.028 . 1 . . . . . 32 ASP N . 51726 1 144 . 1 . 1 37 37 MET H H 1 9.152 0.01 . 1 . . . . . 33 MET H . 51726 1 145 . 1 . 1 37 37 MET HA H 1 4.507 0.004 . 1 . . . . . 33 MET HA . 51726 1 146 . 1 . 1 37 37 MET HB2 H 1 2.161 0 . 2 . . . . . 33 MET HB2 . 51726 1 147 . 1 . 1 37 37 MET HB3 H 1 2.122 0.011 . 2 . . . . . 33 MET HB3 . 51726 1 148 . 1 . 1 37 37 MET HG2 H 1 2.833 0 . 2 . . . . . 33 MET HG2 . 51726 1 149 . 1 . 1 37 37 MET HG3 H 1 2.617 0.008 . 2 . . . . . 33 MET HG3 . 51726 1 150 . 1 . 1 37 37 MET HE1 H 1 2.053 0 . 1 . . . . . 33 MET ME . 51726 1 151 . 1 . 1 37 37 MET HE2 H 1 2.053 0 . 1 . . . . . 33 MET ME . 51726 1 152 . 1 . 1 37 37 MET HE3 H 1 2.053 0 . 1 . . . . . 33 MET ME . 51726 1 153 . 1 . 1 37 37 MET CA C 13 56.271 0.062 . 1 . . . . . 33 MET CA . 51726 1 154 . 1 . 1 37 37 MET CB C 13 30.91 0.089 . 1 . . . . . 33 MET CB . 51726 1 155 . 1 . 1 37 37 MET CG C 13 32.41 0.09 . 1 . . . . . 33 MET CG . 51726 1 156 . 1 . 1 37 37 MET CE C 13 16.866 0 . 1 . . . . . 33 MET CE . 51726 1 157 . 1 . 1 37 37 MET N N 15 122.592 0.026 . 1 . . . . . 33 MET N . 51726 1 158 . 1 . 1 38 38 ASN H H 1 8.586 0.008 . 1 . . . . . 34 ASN H . 51726 1 159 . 1 . 1 38 38 ASN HA H 1 4.557 0.007 . 1 . . . . . 34 ASN HA . 51726 1 160 . 1 . 1 38 38 ASN HB2 H 1 2.86 0 . 2 . . . . . 34 ASN HB2 . 51726 1 161 . 1 . 1 38 38 ASN HB3 H 1 2.955 0.002 . 2 . . . . . 34 ASN HB3 . 51726 1 162 . 1 . 1 38 38 ASN CA C 13 56.033 0.073 . 1 . . . . . 34 ASN CA . 51726 1 163 . 1 . 1 38 38 ASN CB C 13 38.566 0.065 . 1 . . . . . 34 ASN CB . 51726 1 164 . 1 . 1 38 38 ASN N N 15 117.699 0.031 . 1 . . . . . 34 ASN N . 51726 1 165 . 1 . 1 39 39 SER H H 1 7.876 0.004 . 1 . . . . . 35 SER H . 51726 1 166 . 1 . 1 39 39 SER HA H 1 4.341 0.003 . 1 . . . . . 35 SER HA . 51726 1 167 . 1 . 1 39 39 SER HB2 H 1 3.624 0.004 . 2 . . . . . 35 SER HB2 . 51726 1 168 . 1 . 1 39 39 SER HB3 H 1 3.738 0.003 . 2 . . . . . 35 SER HB3 . 51726 1 169 . 1 . 1 39 39 SER CA C 13 58.245 0.04 . 1 . . . . . 35 SER CA . 51726 1 170 . 1 . 1 39 39 SER CB C 13 63.392 0.034 . 1 . . . . . 35 SER CB . 51726 1 171 . 1 . 1 39 39 SER N N 15 113.211 0.057 . 1 . . . . . 35 SER N . 51726 1 172 . 1 . 1 40 40 LYS H H 1 7.401 0.001 . 1 . . . . . 36 LYS H . 51726 1 173 . 1 . 1 40 40 LYS HA H 1 3.115 0.008 . 1 . . . . . 36 LYS HA . 51726 1 174 . 1 . 1 40 40 LYS HB2 H 1 0.603 0.007 . 2 . . . . . 36 LYS HB2 . 51726 1 175 . 1 . 1 40 40 LYS HB3 H 1 1.737 0.007 . 2 . . . . . 36 LYS HB3 . 51726 1 176 . 1 . 1 40 40 LYS HG2 H 1 1.04 0.006 . 2 . . . . . 36 LYS HG2 . 51726 1 177 . 1 . 1 40 40 LYS HG3 H 1 0.793 0.003 . 2 . . . . . 36 LYS HG3 . 51726 1 178 . 1 . 1 40 40 LYS HD2 H 1 1.377 0.014 . 2 . . . . . 36 LYS HD2 . 51726 1 179 . 1 . 1 40 40 LYS HD3 H 1 1.649 0.001 . 2 . . . . . 36 LYS HD3 . 51726 1 180 . 1 . 1 40 40 LYS HE2 H 1 2.982 0.003 . 2 . . . . . 36 LYS HE2 . 51726 1 181 . 1 . 1 40 40 LYS HE3 H 1 2.982 0.003 . 2 . . . . . 36 LYS HE3 . 51726 1 182 . 1 . 1 40 40 LYS CA C 13 57.501 0.105 . 1 . . . . . 36 LYS CA . 51726 1 183 . 1 . 1 40 40 LYS CB C 13 27.775 0.128 . 1 . . . . . 36 LYS CB . 51726 1 184 . 1 . 1 40 40 LYS CG C 13 25.163 0.095 . 1 . . . . . 36 LYS CG . 51726 1 185 . 1 . 1 40 40 LYS CD C 13 29.21 0.134 . 1 . . . . . 36 LYS CD . 51726 1 186 . 1 . 1 40 40 LYS CE C 13 42.667 0.091 . 1 . . . . . 36 LYS CE . 51726 1 187 . 1 . 1 40 40 LYS N N 15 118.102 0.023 . 1 . . . . . 36 LYS N . 51726 1 188 . 1 . 1 41 41 LYS H H 1 7.762 0.003 . 1 . . . . . 37 LYS H . 51726 1 189 . 1 . 1 41 41 LYS HA H 1 5.482 0.005 . 1 . . . . . 37 LYS HA . 51726 1 190 . 1 . 1 41 41 LYS HB2 H 1 1.322 0.01 . 2 . . . . . 37 LYS HB2 . 51726 1 191 . 1 . 1 41 41 LYS HB3 H 1 1.606 0.004 . 2 . . . . . 37 LYS HB3 . 51726 1 192 . 1 . 1 41 41 LYS HG2 H 1 1.275 0.003 . 2 . . . . . 37 LYS HG2 . 51726 1 193 . 1 . 1 41 41 LYS HG3 H 1 1.178 0.006 . 2 . . . . . 37 LYS HG3 . 51726 1 194 . 1 . 1 41 41 LYS HD2 H 1 1.509 0.005 . 2 . . . . . 37 LYS HD2 . 51726 1 195 . 1 . 1 41 41 LYS HD3 H 1 1.309 0.001 . 2 . . . . . 37 LYS HD3 . 51726 1 196 . 1 . 1 41 41 LYS HE2 H 1 2.82 0.004 . 2 . . . . . 37 LYS HE2 . 51726 1 197 . 1 . 1 41 41 LYS HE3 H 1 2.82 0.004 . 2 . . . . . 37 LYS HE3 . 51726 1 198 . 1 . 1 41 41 LYS CA C 13 53.378 0.074 . 1 . . . . . 37 LYS CA . 51726 1 199 . 1 . 1 41 41 LYS CB C 13 37.129 0.078 . 1 . . . . . 37 LYS CB . 51726 1 200 . 1 . 1 41 41 LYS CG C 13 24.513 0.074 . 1 . . . . . 37 LYS CG . 51726 1 201 . 1 . 1 41 41 LYS CD C 13 29.139 0.056 . 1 . . . . . 37 LYS CD . 51726 1 202 . 1 . 1 41 41 LYS CE C 13 42.394 0.108 . 1 . . . . . 37 LYS CE . 51726 1 203 . 1 . 1 41 41 LYS N N 15 113.755 0.041 . 1 . . . . . 37 LYS N . 51726 1 204 . 1 . 1 42 42 ILE H H 1 9.541 0.005 . 1 . . . . . 38 ILE H . 51726 1 205 . 1 . 1 42 42 ILE HA H 1 4.715 0.006 . 1 . . . . . 38 ILE HA . 51726 1 206 . 1 . 1 42 42 ILE HB H 1 1.667 0.008 . 1 . . . . . 38 ILE HB . 51726 1 207 . 1 . 1 42 42 ILE HG12 H 1 1.666 0.012 . 2 . . . . . 38 ILE HG12 . 51726 1 208 . 1 . 1 42 42 ILE HG13 H 1 1.089 0.005 . 2 . . . . . 38 ILE HG13 . 51726 1 209 . 1 . 1 42 42 ILE HG21 H 1 0.829 0.002 . 1 . . . . . 38 ILE MG . 51726 1 210 . 1 . 1 42 42 ILE HG22 H 1 0.829 0.002 . 1 . . . . . 38 ILE MG . 51726 1 211 . 1 . 1 42 42 ILE HG23 H 1 0.829 0.002 . 1 . . . . . 38 ILE MG . 51726 1 212 . 1 . 1 42 42 ILE HD11 H 1 0.613 0.003 . 1 . . . . . 38 ILE MD . 51726 1 213 . 1 . 1 42 42 ILE HD12 H 1 0.613 0.003 . 1 . . . . . 38 ILE MD . 51726 1 214 . 1 . 1 42 42 ILE HD13 H 1 0.613 0.003 . 1 . . . . . 38 ILE MD . 51726 1 215 . 1 . 1 42 42 ILE CA C 13 59.547 0.11 . 1 . . . . . 38 ILE CA . 51726 1 216 . 1 . 1 42 42 ILE CB C 13 41.267 0.115 . 1 . . . . . 38 ILE CB . 51726 1 217 . 1 . 1 42 42 ILE CG1 C 13 27.742 0.08 . 1 . . . . . 38 ILE CG1 . 51726 1 218 . 1 . 1 42 42 ILE CG2 C 13 17.45 0.067 . 1 . . . . . 38 ILE CG2 . 51726 1 219 . 1 . 1 42 42 ILE CD1 C 13 13.847 0.114 . 1 . . . . . 38 ILE CD1 . 51726 1 220 . 1 . 1 42 42 ILE N N 15 123.631 0.019 . 1 . . . . . 38 ILE N . 51726 1 221 . 1 . 1 43 43 THR H H 1 9.247 0.002 . 1 . . . . . 39 THR H . 51726 1 222 . 1 . 1 43 43 THR HA H 1 4.865 0.008 . 1 . . . . . 39 THR HA . 51726 1 223 . 1 . 1 43 43 THR HB H 1 3.934 0.002 . 1 . . . . . 39 THR HB . 51726 1 224 . 1 . 1 43 43 THR HG21 H 1 0.893 0.004 . 1 . . . . . 39 THR MG . 51726 1 225 . 1 . 1 43 43 THR HG22 H 1 0.893 0.004 . 1 . . . . . 39 THR MG . 51726 1 226 . 1 . 1 43 43 THR HG23 H 1 0.893 0.004 . 1 . . . . . 39 THR MG . 51726 1 227 . 1 . 1 43 43 THR CA C 13 62.723 0.068 . 1 . . . . . 39 THR CA . 51726 1 228 . 1 . 1 43 43 THR CB C 13 67.972 0.033 . 1 . . . . . 39 THR CB . 51726 1 229 . 1 . 1 43 43 THR CG2 C 13 21.824 0.084 . 1 . . . . . 39 THR CG2 . 51726 1 230 . 1 . 1 43 43 THR N N 15 126.6 0.023 . 1 . . . . . 39 THR N . 51726 1 231 . 1 . 1 44 44 ILE H H 1 9.191 0.004 . 1 . . . . . 40 ILE H . 51726 1 232 . 1 . 1 44 44 ILE HA H 1 4.708 0.008 . 1 . . . . . 40 ILE HA . 51726 1 233 . 1 . 1 44 44 ILE HB H 1 1.547 0.007 . 1 . . . . . 40 ILE HB . 51726 1 234 . 1 . 1 44 44 ILE HG12 H 1 0.339 0.011 . 2 . . . . . 40 ILE HG12 . 51726 1 235 . 1 . 1 44 44 ILE HG13 H 1 1.503 0.007 . 2 . . . . . 40 ILE HG13 . 51726 1 236 . 1 . 1 44 44 ILE HG21 H 1 0.413 0.002 . 1 . . . . . 40 ILE MG . 51726 1 237 . 1 . 1 44 44 ILE HG22 H 1 0.413 0.002 . 1 . . . . . 40 ILE MG . 51726 1 238 . 1 . 1 44 44 ILE HG23 H 1 0.413 0.002 . 1 . . . . . 40 ILE MG . 51726 1 239 . 1 . 1 44 44 ILE HD11 H 1 -0.513 0.009 . 1 . . . . . 40 ILE MD . 51726 1 240 . 1 . 1 44 44 ILE HD12 H 1 -0.513 0.009 . 1 . . . . . 40 ILE MD . 51726 1 241 . 1 . 1 44 44 ILE HD13 H 1 -0.513 0.009 . 1 . . . . . 40 ILE MD . 51726 1 242 . 1 . 1 44 44 ILE CA C 13 60.057 0.126 . 1 . . . . . 40 ILE CA . 51726 1 243 . 1 . 1 44 44 ILE CB C 13 41.956 0.041 . 1 . . . . . 40 ILE CB . 51726 1 244 . 1 . 1 44 44 ILE CG1 C 13 28.507 0.097 . 1 . . . . . 40 ILE CG1 . 51726 1 245 . 1 . 1 44 44 ILE CG2 C 13 16.836 0.094 . 1 . . . . . 40 ILE CG2 . 51726 1 246 . 1 . 1 44 44 ILE CD1 C 13 11.196 0.078 . 1 . . . . . 40 ILE CD1 . 51726 1 247 . 1 . 1 44 44 ILE N N 15 128.679 0.045 . 1 . . . . . 40 ILE N . 51726 1 248 . 1 . 1 45 45 SER H H 1 8.963 0.002 . 1 . . . . . 41 SER H . 51726 1 249 . 1 . 1 45 45 SER HA H 1 5.257 0.004 . 1 . . . . . 41 SER HA . 51726 1 250 . 1 . 1 45 45 SER HB2 H 1 3.653 0.006 . 2 . . . . . 41 SER HB2 . 51726 1 251 . 1 . 1 45 45 SER HB3 H 1 3.963 0.005 . 2 . . . . . 41 SER HB3 . 51726 1 252 . 1 . 1 45 45 SER CA C 13 56.758 0.043 . 1 . . . . . 41 SER CA . 51726 1 253 . 1 . 1 45 45 SER CB C 13 62.499 0.039 . 1 . . . . . 41 SER CB . 51726 1 254 . 1 . 1 45 45 SER N N 15 124.079 0.02 . 1 . . . . . 41 SER N . 51726 1 255 . 1 . 1 46 46 HIS H H 1 9.411 0.002 . 1 . . . . . 42 HIS H . 51726 1 256 . 1 . 1 46 46 HIS HA H 1 6.06 0.008 . 1 . . . . . 42 HIS HA . 51726 1 257 . 1 . 1 46 46 HIS HB2 H 1 3.905 0.006 . 2 . . . . . 42 HIS HB2 . 51726 1 258 . 1 . 1 46 46 HIS HB3 H 1 2.979 0.013 . 2 . . . . . 42 HIS HB3 . 51726 1 259 . 1 . 1 46 46 HIS HD2 H 1 6.985 0.003 . 1 . . . . . 42 HIS HD2 . 51726 1 260 . 1 . 1 46 46 HIS HE1 H 1 7.994 0.164 . 1 . . . . . 42 HIS HE1 . 51726 1 261 . 1 . 1 46 46 HIS CA C 13 53.299 0.065 . 1 . . . . . 42 HIS CA . 51726 1 262 . 1 . 1 46 46 HIS CB C 13 33.497 0.119 . 1 . . . . . 42 HIS CB . 51726 1 263 . 1 . 1 46 46 HIS CD2 C 13 129.477 0 . 1 . . . . . 42 HIS CD2 . 51726 1 264 . 1 . 1 46 46 HIS CE1 C 13 141.182 0 . 1 . . . . . 42 HIS CE1 . 51726 1 265 . 1 . 1 46 46 HIS N N 15 125.935 0.021 . 1 . . . . . 42 HIS N . 51726 1 266 . 1 . 1 47 47 GLU H H 1 8.482 0.003 . 1 . . . . . 43 GLU H . 51726 1 267 . 1 . 1 47 47 GLU HA H 1 4.585 0.01 . 1 . . . . . 43 GLU HA . 51726 1 268 . 1 . 1 47 47 GLU HB2 H 1 2.182 0.004 . 2 . . . . . 43 GLU HB2 . 51726 1 269 . 1 . 1 47 47 GLU HB3 H 1 2.424 0.004 . 2 . . . . . 43 GLU HB3 . 51726 1 270 . 1 . 1 47 47 GLU HG2 H 1 2.419 0.004 . 2 . . . . . 43 GLU HG2 . 51726 1 271 . 1 . 1 47 47 GLU HG3 H 1 2.522 0.003 . 2 . . . . . 43 GLU HG3 . 51726 1 272 . 1 . 1 47 47 GLU CA C 13 55.903 0.079 . 1 . . . . . 43 GLU CA . 51726 1 273 . 1 . 1 47 47 GLU CB C 13 30.333 0.067 . 1 . . . . . 43 GLU CB . 51726 1 274 . 1 . 1 47 47 GLU CG C 13 36.837 0.129 . 1 . . . . . 43 GLU CG . 51726 1 275 . 1 . 1 47 47 GLU N N 15 121.134 0.029 . 1 . . . . . 43 GLU N . 51726 1 276 . 1 . 1 48 48 ALA H H 1 9.542 0.007 . 1 . . . . . 44 ALA H . 51726 1 277 . 1 . 1 48 48 ALA HA H 1 4.028 0.013 . 1 . . . . . 44 ALA HA . 51726 1 278 . 1 . 1 48 48 ALA HB1 H 1 1.583 0.002 . 1 . . . . . 44 ALA MB . 51726 1 279 . 1 . 1 48 48 ALA HB2 H 1 1.583 0.002 . 1 . . . . . 44 ALA MB . 51726 1 280 . 1 . 1 48 48 ALA HB3 H 1 1.583 0.002 . 1 . . . . . 44 ALA MB . 51726 1 281 . 1 . 1 48 48 ALA CA C 13 54.715 0.062 . 1 . . . . . 44 ALA CA . 51726 1 282 . 1 . 1 48 48 ALA CB C 13 18.6 0.066 . 1 . . . . . 44 ALA CB . 51726 1 283 . 1 . 1 48 48 ALA N N 15 126.841 0.048 . 1 . . . . . 44 ALA N . 51726 1 284 . 1 . 1 49 49 ILE H H 1 8.33 0.002 . 1 . . . . . 45 ILE H . 51726 1 285 . 1 . 1 49 49 ILE HA H 1 4.756 0.007 . 1 . . . . . 45 ILE HA . 51726 1 286 . 1 . 1 49 49 ILE HB H 1 1.985 0.011 . 1 . . . . . 45 ILE HB . 51726 1 287 . 1 . 1 49 49 ILE HG12 H 1 1.392 0.009 . 2 . . . . . 45 ILE HG12 . 51726 1 288 . 1 . 1 49 49 ILE HG13 H 1 1.316 0.015 . 2 . . . . . 45 ILE HG13 . 51726 1 289 . 1 . 1 49 49 ILE HG21 H 1 0.878 0.004 . 1 . . . . . 45 ILE MG . 51726 1 290 . 1 . 1 49 49 ILE HG22 H 1 0.878 0.004 . 1 . . . . . 45 ILE MG . 51726 1 291 . 1 . 1 49 49 ILE HG23 H 1 0.878 0.004 . 1 . . . . . 45 ILE MG . 51726 1 292 . 1 . 1 49 49 ILE HD11 H 1 0.74 0.004 . 1 . . . . . 45 ILE MD . 51726 1 293 . 1 . 1 49 49 ILE HD12 H 1 0.74 0.004 . 1 . . . . . 45 ILE MD . 51726 1 294 . 1 . 1 49 49 ILE HD13 H 1 0.74 0.004 . 1 . . . . . 45 ILE MD . 51726 1 295 . 1 . 1 49 49 ILE CA C 13 59.067 0.077 . 1 . . . . . 45 ILE CA . 51726 1 296 . 1 . 1 49 49 ILE CB C 13 39.596 0.114 . 1 . . . . . 45 ILE CB . 51726 1 297 . 1 . 1 49 49 ILE CG1 C 13 27.146 0.105 . 1 . . . . . 45 ILE CG1 . 51726 1 298 . 1 . 1 49 49 ILE CG2 C 13 19.478 0.085 . 1 . . . . . 45 ILE CG2 . 51726 1 299 . 1 . 1 49 49 ILE CD1 C 13 13.251 0.066 . 1 . . . . . 45 ILE CD1 . 51726 1 300 . 1 . 1 49 49 ILE N N 15 118.349 0.029 . 1 . . . . . 45 ILE N . 51726 1 301 . 1 . 1 50 50 PRO HA H 1 4.412 0.004 . 1 . . . . . 46 PRO HA . 51726 1 302 . 1 . 1 50 50 PRO HB2 H 1 2.002 0.003 . 2 . . . . . 46 PRO HB2 . 51726 1 303 . 1 . 1 50 50 PRO HB3 H 1 2.407 0.005 . 2 . . . . . 46 PRO HB3 . 51726 1 304 . 1 . 1 50 50 PRO HG2 H 1 2.021 0.007 . 2 . . . . . 46 PRO HG2 . 51726 1 305 . 1 . 1 50 50 PRO HG3 H 1 2.11 0.006 . 2 . . . . . 46 PRO HG3 . 51726 1 306 . 1 . 1 50 50 PRO HD2 H 1 4.02 0.005 . 2 . . . . . 46 PRO HD2 . 51726 1 307 . 1 . 1 50 50 PRO HD3 H 1 3.465 0.01 . 2 . . . . . 46 PRO HD3 . 51726 1 308 . 1 . 1 50 50 PRO CA C 13 65.065 0.082 . 1 . . . . . 46 PRO CA . 51726 1 309 . 1 . 1 50 50 PRO CB C 13 31.84 0.109 . 1 . . . . . 46 PRO CB . 51726 1 310 . 1 . 1 50 50 PRO CG C 13 27.196 0.101 . 1 . . . . . 46 PRO CG . 51726 1 311 . 1 . 1 50 50 PRO CD C 13 51.25 0.092 . 1 . . . . . 46 PRO CD . 51726 1 312 . 1 . 1 51 51 ALA H H 1 8.794 0.004 . 1 . . . . . 47 ALA H . 51726 1 313 . 1 . 1 51 51 ALA HA H 1 4.083 0.005 . 1 . . . . . 47 ALA HA . 51726 1 314 . 1 . 1 51 51 ALA HB1 H 1 1.338 0.004 . 1 . . . . . 47 ALA MB . 51726 1 315 . 1 . 1 51 51 ALA HB2 H 1 1.338 0.004 . 1 . . . . . 47 ALA MB . 51726 1 316 . 1 . 1 51 51 ALA HB3 H 1 1.338 0.004 . 1 . . . . . 47 ALA MB . 51726 1 317 . 1 . 1 51 51 ALA CA C 13 55.254 0.076 . 1 . . . . . 47 ALA CA . 51726 1 318 . 1 . 1 51 51 ALA CB C 13 19.219 0.049 . 1 . . . . . 47 ALA CB . 51726 1 319 . 1 . 1 51 51 ALA N N 15 119.823 0.027 . 1 . . . . . 47 ALA N . 51726 1 320 . 1 . 1 52 52 VAL H H 1 6.8 0.005 . 1 . . . . . 48 VAL H . 51726 1 321 . 1 . 1 52 52 VAL HA H 1 4.473 0.004 . 1 . . . . . 48 VAL HA . 51726 1 322 . 1 . 1 52 52 VAL HB H 1 1.818 0.002 . 1 . . . . . 48 VAL HB . 51726 1 323 . 1 . 1 52 52 VAL HG11 H 1 -0.315 0.005 . 2 . . . . . 48 VAL MG1 . 51726 1 324 . 1 . 1 52 52 VAL HG12 H 1 -0.315 0.005 . 2 . . . . . 48 VAL MG1 . 51726 1 325 . 1 . 1 52 52 VAL HG13 H 1 -0.315 0.005 . 2 . . . . . 48 VAL MG1 . 51726 1 326 . 1 . 1 52 52 VAL HG21 H 1 0.393 0.007 . 2 . . . . . 48 VAL MG2 . 51726 1 327 . 1 . 1 52 52 VAL HG22 H 1 0.393 0.007 . 2 . . . . . 48 VAL MG2 . 51726 1 328 . 1 . 1 52 52 VAL HG23 H 1 0.393 0.007 . 2 . . . . . 48 VAL MG2 . 51726 1 329 . 1 . 1 52 52 VAL CA C 13 59.094 0.096 . 1 . . . . . 48 VAL CA . 51726 1 330 . 1 . 1 52 52 VAL CB C 13 32.051 0.072 . 1 . . . . . 48 VAL CB . 51726 1 331 . 1 . 1 52 52 VAL CG1 C 13 17.218 0.066 . 2 . . . . . 48 VAL CG1 . 51726 1 332 . 1 . 1 52 52 VAL CG2 C 13 21.517 0.095 . 2 . . . . . 48 VAL CG2 . 51726 1 333 . 1 . 1 52 52 VAL N N 15 104.641 0.04 . 1 . . . . . 48 VAL N . 51726 1 334 . 1 . 1 53 53 GLY H H 1 7.7 0.003 . 1 . . . . . 49 GLY H . 51726 1 335 . 1 . 1 53 53 GLY HA2 H 1 3.886 0.007 . 2 . . . . . 49 GLY HA2 . 51726 1 336 . 1 . 1 53 53 GLY HA3 H 1 4.035 0.038 . 2 . . . . . 49 GLY HA3 . 51726 1 337 . 1 . 1 53 53 GLY CA C 13 46.443 0.141 . 1 . . . . . 49 GLY CA . 51726 1 338 . 1 . 1 53 53 GLY N N 15 109.283 0.021 . 1 . . . . . 49 GLY N . 51726 1 339 . 1 . 1 54 54 TRP H H 1 7.671 0.003 . 1 . . . . . 50 TRP H . 51726 1 340 . 1 . 1 54 54 TRP HA H 1 5.633 0.007 . 1 . . . . . 50 TRP HA . 51726 1 341 . 1 . 1 54 54 TRP HB2 H 1 3.217 0.009 . 2 . . . . . 50 TRP HB2 . 51726 1 342 . 1 . 1 54 54 TRP HB3 H 1 3.633 0.004 . 2 . . . . . 50 TRP HB3 . 51726 1 343 . 1 . 1 54 54 TRP HD1 H 1 7.12 0 . 1 . . . . . 50 TRP HD1 . 51726 1 344 . 1 . 1 54 54 TRP HE1 H 1 10.379 0.001 . 1 . . . . . 50 TRP HE1 . 51726 1 345 . 1 . 1 54 54 TRP HE3 H 1 7.506 0.003 . 1 . . . . . 50 TRP HE3 . 51726 1 346 . 1 . 1 54 54 TRP HZ2 H 1 7.563 0.001 . 1 . . . . . 50 TRP HZ2 . 51726 1 347 . 1 . 1 54 54 TRP HZ3 H 1 6.837 0.003 . 1 . . . . . 50 TRP HZ3 . 51726 1 348 . 1 . 1 54 54 TRP HH2 H 1 7.292 0.002 . 1 . . . . . 50 TRP HH2 . 51726 1 349 . 1 . 1 54 54 TRP CA C 13 51.786 0.081 . 1 . . . . . 50 TRP CA . 51726 1 350 . 1 . 1 54 54 TRP CB C 13 30.997 0.051 . 1 . . . . . 50 TRP CB . 51726 1 351 . 1 . 1 54 54 TRP CD1 C 13 125.206 0 . 1 . . . . . 50 TRP CD1 . 51726 1 352 . 1 . 1 54 54 TRP CE3 C 13 116.237 0 . 1 . . . . . 50 TRP CE3 . 51726 1 353 . 1 . 1 54 54 TRP CZ2 C 13 116.079 0 . 1 . . . . . 50 TRP CZ2 . 51726 1 354 . 1 . 1 54 54 TRP CZ3 C 13 119.96 0 . 1 . . . . . 50 TRP CZ3 . 51726 1 355 . 1 . 1 54 54 TRP CH2 C 13 125.534 0 . 1 . . . . . 50 TRP CH2 . 51726 1 356 . 1 . 1 54 54 TRP N N 15 118.965 0.036 . 1 . . . . . 50 TRP N . 51726 1 357 . 1 . 1 54 54 TRP NE1 N 15 129.635 0.019 . 1 . . . . . 50 TRP NE1 . 51726 1 358 . 1 . 1 55 55 PRO HA H 1 4.861 0.007 . 1 . . . . . 51 PRO HA . 51726 1 359 . 1 . 1 55 55 PRO HB2 H 1 2.306 0.001 . 2 . . . . . 51 PRO HB2 . 51726 1 360 . 1 . 1 55 55 PRO HB3 H 1 2.306 0.001 . 2 . . . . . 51 PRO HB3 . 51726 1 361 . 1 . 1 55 55 PRO HG2 H 1 2.121 0.004 . 2 . . . . . 51 PRO HG2 . 51726 1 362 . 1 . 1 55 55 PRO HG3 H 1 1.687 0.007 . 2 . . . . . 51 PRO HG3 . 51726 1 363 . 1 . 1 55 55 PRO HD2 H 1 3.695 0.003 . 2 . . . . . 51 PRO HD2 . 51726 1 364 . 1 . 1 55 55 PRO HD3 H 1 3.989 0.006 . 2 . . . . . 51 PRO HD3 . 51726 1 365 . 1 . 1 55 55 PRO CA C 13 62.067 0.081 . 1 . . . . . 51 PRO CA . 51726 1 366 . 1 . 1 55 55 PRO CB C 13 32.678 0.086 . 1 . . . . . 51 PRO CB . 51726 1 367 . 1 . 1 55 55 PRO CG C 13 25.959 0.102 . 1 . . . . . 51 PRO CG . 51726 1 368 . 1 . 1 55 55 PRO CD C 13 50.016 0.124 . 1 . . . . . 51 PRO CD . 51726 1 369 . 1 . 1 56 56 ALA H H 1 8.419 0.002 . 1 . . . . . 52 ALA H . 51726 1 370 . 1 . 1 56 56 ALA HA H 1 4.121 0.004 . 1 . . . . . 52 ALA HA . 51726 1 371 . 1 . 1 56 56 ALA HB1 H 1 1.393 0.001 . 1 . . . . . 52 ALA MB . 51726 1 372 . 1 . 1 56 56 ALA HB2 H 1 1.393 0.001 . 1 . . . . . 52 ALA MB . 51726 1 373 . 1 . 1 56 56 ALA HB3 H 1 1.393 0.001 . 1 . . . . . 52 ALA MB . 51726 1 374 . 1 . 1 56 56 ALA CA C 13 53.854 0.105 . 1 . . . . . 52 ALA CA . 51726 1 375 . 1 . 1 56 56 ALA CB C 13 18.134 0.032 . 1 . . . . . 52 ALA CB . 51726 1 376 . 1 . 1 56 56 ALA N N 15 119.781 0.035 . 1 . . . . . 52 ALA N . 51726 1 377 . 1 . 1 57 57 MET H H 1 6.976 0.008 . 1 . . . . . 53 MET H . 51726 1 378 . 1 . 1 57 57 MET HA H 1 4.496 0.006 . 1 . . . . . 53 MET HA . 51726 1 379 . 1 . 1 57 57 MET HB2 H 1 1.525 0.004 . 2 . . . . . 53 MET HB2 . 51726 1 380 . 1 . 1 57 57 MET HB3 H 1 2.017 0.006 . 2 . . . . . 53 MET HB3 . 51726 1 381 . 1 . 1 57 57 MET HG2 H 1 2.374 0.007 . 2 . . . . . 53 MET HG2 . 51726 1 382 . 1 . 1 57 57 MET HG3 H 1 2.327 0.007 . 2 . . . . . 53 MET HG3 . 51726 1 383 . 1 . 1 57 57 MET HE1 H 1 1.832 0 . 1 . . . . . 53 MET ME . 51726 1 384 . 1 . 1 57 57 MET HE2 H 1 1.832 0 . 1 . . . . . 53 MET ME . 51726 1 385 . 1 . 1 57 57 MET HE3 H 1 1.832 0 . 1 . . . . . 53 MET ME . 51726 1 386 . 1 . 1 57 57 MET CA C 13 54.685 0.067 . 1 . . . . . 53 MET CA . 51726 1 387 . 1 . 1 57 57 MET CB C 13 38.36 0.112 . 1 . . . . . 53 MET CB . 51726 1 388 . 1 . 1 57 57 MET CG C 13 32.43 0.134 . 1 . . . . . 53 MET CG . 51726 1 389 . 1 . 1 57 57 MET CE C 13 18.834 0 . 1 . . . . . 53 MET CE . 51726 1 390 . 1 . 1 57 57 MET N N 15 116.2 0.035 . 1 . . . . . 53 MET N . 51726 1 391 . 1 . 1 58 58 THR H H 1 8.638 0.003 . 1 . . . . . 54 THR H . 51726 1 392 . 1 . 1 58 58 THR HA H 1 4.902 0.005 . 1 . . . . . 54 THR HA . 51726 1 393 . 1 . 1 58 58 THR HB H 1 3.863 0.013 . 1 . . . . . 54 THR HB . 51726 1 394 . 1 . 1 58 58 THR HG21 H 1 0.891 0.005 . 1 . . . . . 54 THR MG . 51726 1 395 . 1 . 1 58 58 THR HG22 H 1 0.891 0.005 . 1 . . . . . 54 THR MG . 51726 1 396 . 1 . 1 58 58 THR HG23 H 1 0.891 0.005 . 1 . . . . . 54 THR MG . 51726 1 397 . 1 . 1 58 58 THR CA C 13 62.876 0.093 . 1 . . . . . 54 THR CA . 51726 1 398 . 1 . 1 58 58 THR CB C 13 68.715 0.117 . 1 . . . . . 54 THR CB . 51726 1 399 . 1 . 1 58 58 THR CG2 C 13 21.927 0.073 . 1 . . . . . 54 THR CG2 . 51726 1 400 . 1 . 1 58 58 THR N N 15 118.032 0.02 . 1 . . . . . 54 THR N . 51726 1 401 . 1 . 1 59 59 MET H H 1 8.679 0.004 . 1 . . . . . 55 MET H . 51726 1 402 . 1 . 1 59 59 MET HA H 1 4.604 0.005 . 1 . . . . . 55 MET HA . 51726 1 403 . 1 . 1 59 59 MET HB2 H 1 1.784 0.006 . 2 . . . . . 55 MET HB2 . 51726 1 404 . 1 . 1 59 59 MET HB3 H 1 1.657 0.004 . 2 . . . . . 55 MET HB3 . 51726 1 405 . 1 . 1 59 59 MET HG2 H 1 2.108 0.004 . 2 . . . . . 55 MET HG2 . 51726 1 406 . 1 . 1 59 59 MET HG3 H 1 2.267 0.006 . 2 . . . . . 55 MET HG3 . 51726 1 407 . 1 . 1 59 59 MET HE1 H 1 1.659 0 . 1 . . . . . 55 MET ME . 51726 1 408 . 1 . 1 59 59 MET HE2 H 1 1.659 0 . 1 . . . . . 55 MET ME . 51726 1 409 . 1 . 1 59 59 MET HE3 H 1 1.659 0 . 1 . . . . . 55 MET ME . 51726 1 410 . 1 . 1 59 59 MET CA C 13 53.441 0.083 . 1 . . . . . 55 MET CA . 51726 1 411 . 1 . 1 59 59 MET CB C 13 41.927 0.095 . 1 . . . . . 55 MET CB . 51726 1 412 . 1 . 1 59 59 MET CG C 13 33.668 0.087 . 1 . . . . . 55 MET CG . 51726 1 413 . 1 . 1 59 59 MET CE C 13 21.921 0 . 1 . . . . . 55 MET CE . 51726 1 414 . 1 . 1 59 59 MET N N 15 127.43 0.029 . 1 . . . . . 55 MET N . 51726 1 415 . 1 . 1 60 60 ARG H H 1 8.616 0.003 . 1 . . . . . 56 ARG H . 51726 1 416 . 1 . 1 60 60 ARG HA H 1 4.695 0.008 . 1 . . . . . 56 ARG HA . 51726 1 417 . 1 . 1 60 60 ARG HB2 H 1 1.355 0.011 . 2 . . . . . 56 ARG HB2 . 51726 1 418 . 1 . 1 60 60 ARG HB3 H 1 1.753 0.004 . 2 . . . . . 56 ARG HB3 . 51726 1 419 . 1 . 1 60 60 ARG HG2 H 1 1.63 0.005 . 2 . . . . . 56 ARG HG2 . 51726 1 420 . 1 . 1 60 60 ARG HG3 H 1 1.63 0.005 . 2 . . . . . 56 ARG HG3 . 51726 1 421 . 1 . 1 60 60 ARG HD2 H 1 3.014 0.004 . 2 . . . . . 56 ARG HD2 . 51726 1 422 . 1 . 1 60 60 ARG HD3 H 1 3.014 0.004 . 2 . . . . . 56 ARG HD3 . 51726 1 423 . 1 . 1 60 60 ARG CA C 13 56.511 0.091 . 1 . . . . . 56 ARG CA . 51726 1 424 . 1 . 1 60 60 ARG CB C 13 31.224 0.084 . 1 . . . . . 56 ARG CB . 51726 1 425 . 1 . 1 60 60 ARG CG C 13 27.539 0.079 . 1 . . . . . 56 ARG CG . 51726 1 426 . 1 . 1 60 60 ARG CD C 13 44.04 0.094 . 1 . . . . . 56 ARG CD . 51726 1 427 . 1 . 1 60 60 ARG N N 15 123.279 0.026 . 1 . . . . . 56 ARG N . 51726 1 428 . 1 . 1 61 61 PHE H H 1 9.287 0.006 . 1 . . . . . 57 PHE H . 51726 1 429 . 1 . 1 61 61 PHE HA H 1 4.665 0.001 . 1 . . . . . 57 PHE HA . 51726 1 430 . 1 . 1 61 61 PHE HB2 H 1 2.809 0.004 . 2 . . . . . 57 PHE HB2 . 51726 1 431 . 1 . 1 61 61 PHE HB3 H 1 2.809 0.004 . 2 . . . . . 57 PHE HB3 . 51726 1 432 . 1 . 1 61 61 PHE HD1 H 1 6.875 0.002 . 3 . . . . . 57 PHE HD1 . 51726 1 433 . 1 . 1 61 61 PHE HD2 H 1 6.875 0.002 . 3 . . . . . 57 PHE HD2 . 51726 1 434 . 1 . 1 61 61 PHE HE1 H 1 6.3 0.001 . 3 . . . . . 57 PHE HE1 . 51726 1 435 . 1 . 1 61 61 PHE HE2 H 1 6.3 0.001 . 3 . . . . . 57 PHE HE2 . 51726 1 436 . 1 . 1 61 61 PHE HZ H 1 6.812 0.004 . 1 . . . . . 57 PHE HZ . 51726 1 437 . 1 . 1 61 61 PHE CA C 13 57.284 0.06 . 1 . . . . . 57 PHE CA . 51726 1 438 . 1 . 1 61 61 PHE CB C 13 41.563 0.11 . 1 . . . . . 57 PHE CB . 51726 1 439 . 1 . 1 61 61 PHE CD1 C 13 132.42 0 . 3 . . . . . 57 PHE CD1 . 51726 1 440 . 1 . 1 61 61 PHE CD2 C 13 132.42 0 . 3 . . . . . 57 PHE CD2 . 51726 1 441 . 1 . 1 61 61 PHE CE1 C 13 130.394 0 . 3 . . . . . 57 PHE CE1 . 51726 1 442 . 1 . 1 61 61 PHE CE2 C 13 130.394 0 . 3 . . . . . 57 PHE CE2 . 51726 1 443 . 1 . 1 61 61 PHE CZ C 13 128.733 0 . 1 . . . . . 57 PHE CZ . 51726 1 444 . 1 . 1 61 61 PHE N N 15 123.632 0.03 . 1 . . . . . 57 PHE N . 51726 1 445 . 1 . 1 62 62 THR H H 1 9.035 0.003 . 1 . . . . . 58 THR H . 51726 1 446 . 1 . 1 62 62 THR HA H 1 5.257 0.006 . 1 . . . . . 58 THR HA . 51726 1 447 . 1 . 1 62 62 THR HB H 1 3.872 0.01 . 1 . . . . . 58 THR HB . 51726 1 448 . 1 . 1 62 62 THR HG21 H 1 1.21 0.007 . 1 . . . . . 58 THR MG . 51726 1 449 . 1 . 1 62 62 THR HG22 H 1 1.21 0.007 . 1 . . . . . 58 THR MG . 51726 1 450 . 1 . 1 62 62 THR HG23 H 1 1.21 0.007 . 1 . . . . . 58 THR MG . 51726 1 451 . 1 . 1 62 62 THR CA C 13 62.55 0.079 . 1 . . . . . 58 THR CA . 51726 1 452 . 1 . 1 62 62 THR CB C 13 71.442 0.1 . 1 . . . . . 58 THR CB . 51726 1 453 . 1 . 1 62 62 THR CG2 C 13 21.546 0.111 . 1 . . . . . 58 THR CG2 . 51726 1 454 . 1 . 1 62 62 THR N N 15 119.832 0.024 . 1 . . . . . 58 THR N . 51726 1 455 . 1 . 1 63 63 PHE H H 1 7.996 0.004 . 1 . . . . . 59 PHE H . 51726 1 456 . 1 . 1 63 63 PHE HA H 1 5.417 0.013 . 1 . . . . . 59 PHE HA . 51726 1 457 . 1 . 1 63 63 PHE HB2 H 1 3.251 0.002 . 2 . . . . . 59 PHE HB2 . 51726 1 458 . 1 . 1 63 63 PHE HB3 H 1 2.714 0.005 . 2 . . . . . 59 PHE HB3 . 51726 1 459 . 1 . 1 63 63 PHE HD1 H 1 6.755 0.001 . 3 . . . . . 59 PHE HD1 . 51726 1 460 . 1 . 1 63 63 PHE HD2 H 1 6.755 0.001 . 3 . . . . . 59 PHE HD2 . 51726 1 461 . 1 . 1 63 63 PHE HE1 H 1 7.022 0.001 . 3 . . . . . 59 PHE HE1 . 51726 1 462 . 1 . 1 63 63 PHE HE2 H 1 7.022 0.001 . 3 . . . . . 59 PHE HE2 . 51726 1 463 . 1 . 1 63 63 PHE HZ H 1 7.389 0.014 . 1 . . . . . 59 PHE HZ . 51726 1 464 . 1 . 1 63 63 PHE CA C 13 54.89 0.11 . 1 . . . . . 59 PHE CA . 51726 1 465 . 1 . 1 63 63 PHE CB C 13 42.011 0.058 . 1 . . . . . 59 PHE CB . 51726 1 466 . 1 . 1 63 63 PHE CD1 C 13 132.935 0 . 3 . . . . . 59 PHE CD1 . 51726 1 467 . 1 . 1 63 63 PHE CD2 C 13 132.935 0 . 3 . . . . . 59 PHE CD2 . 51726 1 468 . 1 . 1 63 63 PHE CE1 C 13 130.2 0 . 3 . . . . . 59 PHE CE1 . 51726 1 469 . 1 . 1 63 63 PHE CE2 C 13 130.2 0 . 3 . . . . . 59 PHE CE2 . 51726 1 470 . 1 . 1 63 63 PHE CZ C 13 130.375 0 . 1 . . . . . 59 PHE CZ . 51726 1 471 . 1 . 1 63 63 PHE N N 15 121.354 0.041 . 1 . . . . . 59 PHE N . 51726 1 472 . 1 . 1 64 64 VAL H H 1 8.805 0.004 . 1 . . . . . 60 VAL H . 51726 1 473 . 1 . 1 64 64 VAL HA H 1 4.001 0.005 . 1 . . . . . 60 VAL HA . 51726 1 474 . 1 . 1 64 64 VAL HB H 1 2.059 0.007 . 1 . . . . . 60 VAL HB . 51726 1 475 . 1 . 1 64 64 VAL HG11 H 1 0.962 0.002 . 2 . . . . . 60 VAL MG1 . 51726 1 476 . 1 . 1 64 64 VAL HG12 H 1 0.962 0.002 . 2 . . . . . 60 VAL MG1 . 51726 1 477 . 1 . 1 64 64 VAL HG13 H 1 0.962 0.002 . 2 . . . . . 60 VAL MG1 . 51726 1 478 . 1 . 1 64 64 VAL HG21 H 1 1.016 0.005 . 2 . . . . . 60 VAL MG2 . 51726 1 479 . 1 . 1 64 64 VAL HG22 H 1 1.016 0.005 . 2 . . . . . 60 VAL MG2 . 51726 1 480 . 1 . 1 64 64 VAL HG23 H 1 1.016 0.005 . 2 . . . . . 60 VAL MG2 . 51726 1 481 . 1 . 1 64 64 VAL CA C 13 64.458 0.05 . 1 . . . . . 60 VAL CA . 51726 1 482 . 1 . 1 64 64 VAL CB C 13 32.848 0.074 . 1 . . . . . 60 VAL CB . 51726 1 483 . 1 . 1 64 64 VAL CG1 C 13 21.174 0.099 . 2 . . . . . 60 VAL CG1 . 51726 1 484 . 1 . 1 64 64 VAL CG2 C 13 21.819 0.081 . 2 . . . . . 60 VAL CG2 . 51726 1 485 . 1 . 1 64 64 VAL N N 15 118.905 0.03 . 1 . . . . . 60 VAL N . 51726 1 486 . 1 . 1 65 65 ASN H H 1 8.086 0.008 . 1 . . . . . 61 ASN H . 51726 1 487 . 1 . 1 65 65 ASN HA H 1 5.002 0.007 . 1 . . . . . 61 ASN HA . 51726 1 488 . 1 . 1 65 65 ASN HB2 H 1 2.737 0.007 . 2 . . . . . 61 ASN HB2 . 51726 1 489 . 1 . 1 65 65 ASN HB3 H 1 2.737 0.007 . 2 . . . . . 61 ASN HB3 . 51726 1 490 . 1 . 1 65 65 ASN CA C 13 52.294 0.039 . 1 . . . . . 61 ASN CA . 51726 1 491 . 1 . 1 65 65 ASN CB C 13 40.978 0.095 . 1 . . . . . 61 ASN CB . 51726 1 492 . 1 . 1 65 65 ASN N N 15 116.552 0.085 . 1 . . . . . 61 ASN N . 51726 1 493 . 1 . 1 66 66 ALA H H 1 9.163 0.004 . 1 . . . . . 62 ALA H . 51726 1 494 . 1 . 1 66 66 ALA HA H 1 3.985 0.007 . 1 . . . . . 62 ALA HA . 51726 1 495 . 1 . 1 66 66 ALA HB1 H 1 1.371 0.007 . 1 . . . . . 62 ALA MB . 51726 1 496 . 1 . 1 66 66 ALA HB2 H 1 1.371 0.007 . 1 . . . . . 62 ALA MB . 51726 1 497 . 1 . 1 66 66 ALA HB3 H 1 1.371 0.007 . 1 . . . . . 62 ALA MB . 51726 1 498 . 1 . 1 66 66 ALA CA C 13 52.309 0.048 . 1 . . . . . 62 ALA CA . 51726 1 499 . 1 . 1 66 66 ALA CB C 13 18.137 0.032 . 1 . . . . . 62 ALA CB . 51726 1 500 . 1 . 1 66 66 ALA N N 15 126.514 0.033 . 1 . . . . . 62 ALA N . 51726 1 501 . 1 . 1 67 67 ASP H H 1 7.2 0.01 . 1 . . . . . 63 ASP H . 51726 1 502 . 1 . 1 67 67 ASP HA H 1 4.596 0.004 . 1 . . . . . 63 ASP HA . 51726 1 503 . 1 . 1 67 67 ASP HB2 H 1 2.644 0.003 . 2 . . . . . 63 ASP HB2 . 51726 1 504 . 1 . 1 67 67 ASP HB3 H 1 3.086 0.009 . 2 . . . . . 63 ASP HB3 . 51726 1 505 . 1 . 1 67 67 ASP CA C 13 52.535 0.047 . 1 . . . . . 63 ASP CA . 51726 1 506 . 1 . 1 67 67 ASP CB C 13 41.66 0.132 . 1 . . . . . 63 ASP CB . 51726 1 507 . 1 . 1 67 67 ASP N N 15 122.624 0.026 . 1 . . . . . 63 ASP N . 51726 1 508 . 1 . 1 68 68 ASP H H 1 8.348 0.004 . 1 . . . . . 64 ASP H . 51726 1 509 . 1 . 1 68 68 ASP HA H 1 4.274 0.004 . 1 . . . . . 64 ASP HA . 51726 1 510 . 1 . 1 68 68 ASP HB2 H 1 2.642 0.003 . 2 . . . . . 64 ASP HB2 . 51726 1 511 . 1 . 1 68 68 ASP HB3 H 1 2.604 0.014 . 2 . . . . . 64 ASP HB3 . 51726 1 512 . 1 . 1 68 68 ASP CA C 13 57.633 0.047 . 1 . . . . . 64 ASP CA . 51726 1 513 . 1 . 1 68 68 ASP CB C 13 40.126 0.121 . 1 . . . . . 64 ASP CB . 51726 1 514 . 1 . 1 68 68 ASP N N 15 117.609 0.031 . 1 . . . . . 64 ASP N . 51726 1 515 . 1 . 1 69 69 ALA H H 1 7.796 0.003 . 1 . . . . . 65 ALA H . 51726 1 516 . 1 . 1 69 69 ALA HA H 1 4.092 0.004 . 1 . . . . . 65 ALA HA . 51726 1 517 . 1 . 1 69 69 ALA HB1 H 1 1.504 0.004 . 1 . . . . . 65 ALA MB . 51726 1 518 . 1 . 1 69 69 ALA HB2 H 1 1.504 0.004 . 1 . . . . . 65 ALA MB . 51726 1 519 . 1 . 1 69 69 ALA HB3 H 1 1.504 0.004 . 1 . . . . . 65 ALA MB . 51726 1 520 . 1 . 1 69 69 ALA CA C 13 54.842 0.093 . 1 . . . . . 65 ALA CA . 51726 1 521 . 1 . 1 69 69 ALA CB C 13 18.581 0.057 . 1 . . . . . 65 ALA CB . 51726 1 522 . 1 . 1 69 69 ALA N N 15 122.013 0.035 . 1 . . . . . 65 ALA N . 51726 1 523 . 1 . 1 70 70 ILE H H 1 7.979 0.002 . 1 . . . . . 66 ILE H . 51726 1 524 . 1 . 1 70 70 ILE HA H 1 3.389 0.003 . 1 . . . . . 66 ILE HA . 51726 1 525 . 1 . 1 70 70 ILE HB H 1 1.42 0.007 . 1 . . . . . 66 ILE HB . 51726 1 526 . 1 . 1 70 70 ILE HG12 H 1 0.76 0.014 . 2 . . . . . 66 ILE HG12 . 51726 1 527 . 1 . 1 70 70 ILE HG13 H 1 1.206 0.004 . 2 . . . . . 66 ILE HG13 . 51726 1 528 . 1 . 1 70 70 ILE HG21 H 1 0.09 0.007 . 1 . . . . . 66 ILE MG . 51726 1 529 . 1 . 1 70 70 ILE HG22 H 1 0.09 0.007 . 1 . . . . . 66 ILE MG . 51726 1 530 . 1 . 1 70 70 ILE HG23 H 1 0.09 0.007 . 1 . . . . . 66 ILE MG . 51726 1 531 . 1 . 1 70 70 ILE HD11 H 1 0.216 0.006 . 1 . . . . . 66 ILE MD . 51726 1 532 . 1 . 1 70 70 ILE HD12 H 1 0.216 0.006 . 1 . . . . . 66 ILE MD . 51726 1 533 . 1 . 1 70 70 ILE HD13 H 1 0.216 0.006 . 1 . . . . . 66 ILE MD . 51726 1 534 . 1 . 1 70 70 ILE CA C 13 63.584 0.097 . 1 . . . . . 66 ILE CA . 51726 1 535 . 1 . 1 70 70 ILE CB C 13 37.405 0.095 . 1 . . . . . 66 ILE CB . 51726 1 536 . 1 . 1 70 70 ILE CG1 C 13 28.993 0.086 . 1 . . . . . 66 ILE CG1 . 51726 1 537 . 1 . 1 70 70 ILE CG2 C 13 16.671 0.081 . 1 . . . . . 66 ILE CG2 . 51726 1 538 . 1 . 1 70 70 ILE CD1 C 13 11.222 0.078 . 1 . . . . . 66 ILE CD1 . 51726 1 539 . 1 . 1 70 70 ILE N N 15 118.248 0.023 . 1 . . . . . 66 ILE N . 51726 1 540 . 1 . 1 71 71 ASN H H 1 8.325 0.011 . 1 . . . . . 67 ASN H . 51726 1 541 . 1 . 1 71 71 ASN HA H 1 4.411 0.006 . 1 . . . . . 67 ASN HA . 51726 1 542 . 1 . 1 71 71 ASN HB2 H 1 2.717 0.003 . 2 . . . . . 67 ASN HB2 . 51726 1 543 . 1 . 1 71 71 ASN HB3 H 1 2.717 0.003 . 2 . . . . . 67 ASN HB3 . 51726 1 544 . 1 . 1 71 71 ASN CA C 13 55.222 0.066 . 1 . . . . . 67 ASN CA . 51726 1 545 . 1 . 1 71 71 ASN CB C 13 38.296 0.083 . 1 . . . . . 67 ASN CB . 51726 1 546 . 1 . 1 71 71 ASN N N 15 116.78 0.075 . 1 . . . . . 67 ASN N . 51726 1 547 . 1 . 1 72 72 ALA H H 1 7.214 0.006 . 1 . . . . . 68 ALA H . 51726 1 548 . 1 . 1 72 72 ALA HA H 1 4.366 0.002 . 1 . . . . . 68 ALA HA . 51726 1 549 . 1 . 1 72 72 ALA HB1 H 1 1.448 0.002 . 1 . . . . . 68 ALA MB . 51726 1 550 . 1 . 1 72 72 ALA HB2 H 1 1.448 0.002 . 1 . . . . . 68 ALA MB . 51726 1 551 . 1 . 1 72 72 ALA HB3 H 1 1.448 0.002 . 1 . . . . . 68 ALA MB . 51726 1 552 . 1 . 1 72 72 ALA CA C 13 52.198 0.042 . 1 . . . . . 68 ALA CA . 51726 1 553 . 1 . 1 72 72 ALA CB C 13 19.598 0.057 . 1 . . . . . 68 ALA CB . 51726 1 554 . 1 . 1 72 72 ALA N N 15 119.111 0.068 . 1 . . . . . 68 ALA N . 51726 1 555 . 1 . 1 73 73 LEU H H 1 7.182 0.002 . 1 . . . . . 69 LEU H . 51726 1 556 . 1 . 1 73 73 LEU HA H 1 4.055 0.006 . 1 . . . . . 69 LEU HA . 51726 1 557 . 1 . 1 73 73 LEU HB2 H 1 1.163 0.006 . 2 . . . . . 69 LEU HB2 . 51726 1 558 . 1 . 1 73 73 LEU HB3 H 1 1.88 0.006 . 2 . . . . . 69 LEU HB3 . 51726 1 559 . 1 . 1 73 73 LEU HD11 H 1 0.686 0.004 . 2 . . . . . 69 LEU MD1 . 51726 1 560 . 1 . 1 73 73 LEU HD12 H 1 0.686 0.004 . 2 . . . . . 69 LEU MD1 . 51726 1 561 . 1 . 1 73 73 LEU HD13 H 1 0.686 0.004 . 2 . . . . . 69 LEU MD1 . 51726 1 562 . 1 . 1 73 73 LEU HD21 H 1 0.753 0.005 . 2 . . . . . 69 LEU MD2 . 51726 1 563 . 1 . 1 73 73 LEU HD22 H 1 0.753 0.005 . 2 . . . . . 69 LEU MD2 . 51726 1 564 . 1 . 1 73 73 LEU HD23 H 1 0.753 0.005 . 2 . . . . . 69 LEU MD2 . 51726 1 565 . 1 . 1 73 73 LEU CA C 13 55.596 0.064 . 1 . . . . . 69 LEU CA . 51726 1 566 . 1 . 1 73 73 LEU CB C 13 44.08 0.083 . 1 . . . . . 69 LEU CB . 51726 1 567 . 1 . 1 73 73 LEU CD1 C 13 24.151 0.024 . 2 . . . . . 69 LEU CD1 . 51726 1 568 . 1 . 1 73 73 LEU CD2 C 13 26.517 0.084 . 2 . . . . . 69 LEU CD2 . 51726 1 569 . 1 . 1 73 73 LEU N N 15 119.257 0.036 . 1 . . . . . 69 LEU N . 51726 1 570 . 1 . 1 74 74 LYS H H 1 7.838 0.008 . 1 . . . . . 70 LYS H . 51726 1 571 . 1 . 1 74 74 LYS HA H 1 4.599 0.005 . 1 . . . . . 70 LYS HA . 51726 1 572 . 1 . 1 74 74 LYS HB2 H 1 1.553 0.003 . 2 . . . . . 70 LYS HB2 . 51726 1 573 . 1 . 1 74 74 LYS HB3 H 1 1.833 0.005 . 2 . . . . . 70 LYS HB3 . 51726 1 574 . 1 . 1 74 74 LYS HG2 H 1 1.44 0.01 . 2 . . . . . 70 LYS HG2 . 51726 1 575 . 1 . 1 74 74 LYS HG3 H 1 1.482 0 . 2 . . . . . 70 LYS HG3 . 51726 1 576 . 1 . 1 74 74 LYS HD2 H 1 1.682 0.002 . 2 . . . . . 70 LYS HD2 . 51726 1 577 . 1 . 1 74 74 LYS HD3 H 1 1.682 0.002 . 2 . . . . . 70 LYS HD3 . 51726 1 578 . 1 . 1 74 74 LYS HE2 H 1 2.99 0.008 . 2 . . . . . 70 LYS HE2 . 51726 1 579 . 1 . 1 74 74 LYS HE3 H 1 2.99 0.008 . 2 . . . . . 70 LYS HE3 . 51726 1 580 . 1 . 1 74 74 LYS CA C 13 53.7 0.071 . 1 . . . . . 70 LYS CA . 51726 1 581 . 1 . 1 74 74 LYS CB C 13 36.051 0.109 . 1 . . . . . 70 LYS CB . 51726 1 582 . 1 . 1 74 74 LYS CG C 13 24.427 0.138 . 1 . . . . . 70 LYS CG . 51726 1 583 . 1 . 1 74 74 LYS CD C 13 28.957 0.109 . 1 . . . . . 70 LYS CD . 51726 1 584 . 1 . 1 74 74 LYS CE C 13 42.463 0.078 . 1 . . . . . 70 LYS CE . 51726 1 585 . 1 . 1 74 74 LYS N N 15 119.243 0.069 . 1 . . . . . 70 LYS N . 51726 1 586 . 1 . 1 75 75 THR H H 1 8.574 0.002 . 1 . . . . . 71 THR H . 51726 1 587 . 1 . 1 75 75 THR HA H 1 3.532 0.007 . 1 . . . . . 71 THR HA . 51726 1 588 . 1 . 1 75 75 THR HB H 1 4.026 0.004 . 1 . . . . . 71 THR HB . 51726 1 589 . 1 . 1 75 75 THR HG21 H 1 1.183 0.005 . 1 . . . . . 71 THR MG . 51726 1 590 . 1 . 1 75 75 THR HG22 H 1 1.183 0.005 . 1 . . . . . 71 THR MG . 51726 1 591 . 1 . 1 75 75 THR HG23 H 1 1.183 0.005 . 1 . . . . . 71 THR MG . 51726 1 592 . 1 . 1 75 75 THR CA C 13 64.678 0.067 . 1 . . . . . 71 THR CA . 51726 1 593 . 1 . 1 75 75 THR CB C 13 68.408 0.093 . 1 . . . . . 71 THR CB . 51726 1 594 . 1 . 1 75 75 THR CG2 C 13 22.551 0.043 . 1 . . . . . 71 THR CG2 . 51726 1 595 . 1 . 1 75 75 THR N N 15 116.064 0.037 . 1 . . . . . 71 THR N . 51726 1 596 . 1 . 1 76 76 GLY H H 1 9.212 0.003 . 1 . . . . . 72 GLY H . 51726 1 597 . 1 . 1 76 76 GLY HA2 H 1 4.496 0.004 . 2 . . . . . 72 GLY HA2 . 51726 1 598 . 1 . 1 76 76 GLY HA3 H 1 3.513 0.013 . 2 . . . . . 72 GLY HA3 . 51726 1 599 . 1 . 1 76 76 GLY CA C 13 44.67 0.09 . 1 . . . . . 72 GLY CA . 51726 1 600 . 1 . 1 76 76 GLY N N 15 113.74 0.04 . 1 . . . . . 72 GLY N . 51726 1 601 . 1 . 1 77 77 ASN H H 1 7.955 0.003 . 1 . . . . . 73 ASN H . 51726 1 602 . 1 . 1 77 77 ASN HA H 1 4.724 0.005 . 1 . . . . . 73 ASN HA . 51726 1 603 . 1 . 1 77 77 ASN HB2 H 1 2.685 0.003 . 2 . . . . . 73 ASN HB2 . 51726 1 604 . 1 . 1 77 77 ASN HB3 H 1 2.685 0.003 . 2 . . . . . 73 ASN HB3 . 51726 1 605 . 1 . 1 77 77 ASN CA C 13 54.15 0.041 . 1 . . . . . 73 ASN CA . 51726 1 606 . 1 . 1 77 77 ASN CB C 13 40.038 0.069 . 1 . . . . . 73 ASN CB . 51726 1 607 . 1 . 1 77 77 ASN N N 15 117.327 0.03 . 1 . . . . . 73 ASN N . 51726 1 608 . 1 . 1 78 78 HIS H H 1 9.294 0.003 . 1 . . . . . 74 HIS H . 51726 1 609 . 1 . 1 78 78 HIS HA H 1 5.199 0.006 . 1 . . . . . 74 HIS HA . 51726 1 610 . 1 . 1 78 78 HIS HB2 H 1 3.281 0.005 . 2 . . . . . 74 HIS HB2 . 51726 1 611 . 1 . 1 78 78 HIS HB3 H 1 3.232 0.008 . 2 . . . . . 74 HIS HB3 . 51726 1 612 . 1 . 1 78 78 HIS HD2 H 1 7.333 0.027 . 1 . . . . . 74 HIS HD2 . 51726 1 613 . 1 . 1 78 78 HIS HE1 H 1 8.151 0 . 1 . . . . . 74 HIS HE1 . 51726 1 614 . 1 . 1 78 78 HIS CA C 13 55.687 0.066 . 1 . . . . . 74 HIS CA . 51726 1 615 . 1 . 1 78 78 HIS CB C 13 29.454 0.091 . 1 . . . . . 74 HIS CB . 51726 1 616 . 1 . 1 78 78 HIS CD2 C 13 120.902 0 . 1 . . . . . 74 HIS CD2 . 51726 1 617 . 1 . 1 78 78 HIS CE1 C 13 138.201 0 . 1 . . . . . 74 HIS CE1 . 51726 1 618 . 1 . 1 78 78 HIS N N 15 123.445 0.202 . 1 . . . . . 74 HIS N . 51726 1 619 . 1 . 1 79 79 VAL H H 1 9.142 0.005 . 1 . . . . . 75 VAL H . 51726 1 620 . 1 . 1 79 79 VAL HA H 1 5.502 0.007 . 1 . . . . . 75 VAL HA . 51726 1 621 . 1 . 1 79 79 VAL HB H 1 2.058 0.005 . 1 . . . . . 75 VAL HB . 51726 1 622 . 1 . 1 79 79 VAL HG11 H 1 0.687 0.002 . 2 . . . . . 75 VAL MG1 . 51726 1 623 . 1 . 1 79 79 VAL HG12 H 1 0.687 0.002 . 2 . . . . . 75 VAL MG1 . 51726 1 624 . 1 . 1 79 79 VAL HG13 H 1 0.687 0.002 . 2 . . . . . 75 VAL MG1 . 51726 1 625 . 1 . 1 79 79 VAL HG21 H 1 0.606 0.007 . 2 . . . . . 75 VAL MG2 . 51726 1 626 . 1 . 1 79 79 VAL HG22 H 1 0.606 0.007 . 2 . . . . . 75 VAL MG2 . 51726 1 627 . 1 . 1 79 79 VAL HG23 H 1 0.606 0.007 . 2 . . . . . 75 VAL MG2 . 51726 1 628 . 1 . 1 79 79 VAL CA C 13 58.412 0.055 . 1 . . . . . 75 VAL CA . 51726 1 629 . 1 . 1 79 79 VAL CB C 13 36.068 0.094 . 1 . . . . . 75 VAL CB . 51726 1 630 . 1 . 1 79 79 VAL CG1 C 13 23.072 0.103 . 2 . . . . . 75 VAL CG1 . 51726 1 631 . 1 . 1 79 79 VAL CG2 C 13 17.9 0.05 . 2 . . . . . 75 VAL CG2 . 51726 1 632 . 1 . 1 79 79 VAL N N 15 115.278 0.154 . 1 . . . . . 75 VAL N . 51726 1 633 . 1 . 1 80 80 ASP H H 1 8.682 0.003 . 1 . . . . . 76 ASP H . 51726 1 634 . 1 . 1 80 80 ASP HA H 1 5.329 0.004 . 1 . . . . . 76 ASP HA . 51726 1 635 . 1 . 1 80 80 ASP HB2 H 1 2.512 0.005 . 2 . . . . . 76 ASP HB2 . 51726 1 636 . 1 . 1 80 80 ASP HB3 H 1 2.725 0.019 . 2 . . . . . 76 ASP HB3 . 51726 1 637 . 1 . 1 80 80 ASP CA C 13 53.249 0.089 . 1 . . . . . 76 ASP CA . 51726 1 638 . 1 . 1 80 80 ASP CB C 13 42.644 0.074 . 1 . . . . . 76 ASP CB . 51726 1 639 . 1 . 1 80 80 ASP N N 15 121.393 0.054 . 1 . . . . . 76 ASP N . 51726 1 640 . 1 . 1 81 81 PHE H H 1 8.498 0.005 . 1 . . . . . 77 PHE H . 51726 1 641 . 1 . 1 81 81 PHE HA H 1 5.386 0.013 . 1 . . . . . 77 PHE HA . 51726 1 642 . 1 . 1 81 81 PHE HB2 H 1 2.7 0.007 . 2 . . . . . 77 PHE HB2 . 51726 1 643 . 1 . 1 81 81 PHE HB3 H 1 3.175 0.002 . 2 . . . . . 77 PHE HB3 . 51726 1 644 . 1 . 1 81 81 PHE HD1 H 1 6.534 0.003 . 3 . . . . . 77 PHE HD1 . 51726 1 645 . 1 . 1 81 81 PHE HD2 H 1 6.534 0.003 . 3 . . . . . 77 PHE HD2 . 51726 1 646 . 1 . 1 81 81 PHE HE1 H 1 6.516 0.001 . 3 . . . . . 77 PHE HE1 . 51726 1 647 . 1 . 1 81 81 PHE HE2 H 1 6.516 0.001 . 3 . . . . . 77 PHE HE2 . 51726 1 648 . 1 . 1 81 81 PHE HZ H 1 6.5 0.001 . 1 . . . . . 77 PHE HZ . 51726 1 649 . 1 . 1 81 81 PHE CA C 13 55.91 0.094 . 1 . . . . . 77 PHE CA . 51726 1 650 . 1 . 1 81 81 PHE CB C 13 41.661 0.12 . 1 . . . . . 77 PHE CB . 51726 1 651 . 1 . 1 81 81 PHE CD1 C 13 131.598 0 . 3 . . . . . 77 PHE CD1 . 51726 1 652 . 1 . 1 81 81 PHE CD2 C 13 131.598 0 . 3 . . . . . 77 PHE CD2 . 51726 1 653 . 1 . 1 81 81 PHE CE1 C 13 130.523 0 . 3 . . . . . 77 PHE CE1 . 51726 1 654 . 1 . 1 81 81 PHE CE2 C 13 130.523 0 . 3 . . . . . 77 PHE CE2 . 51726 1 655 . 1 . 1 81 81 PHE CZ C 13 127.381 0 . 1 . . . . . 77 PHE CZ . 51726 1 656 . 1 . 1 81 81 PHE N N 15 118.16 0.036 . 1 . . . . . 77 PHE N . 51726 1 657 . 1 . 1 82 82 SER H H 1 8.954 0.003 . 1 . . . . . 78 SER H . 51726 1 658 . 1 . 1 82 82 SER HA H 1 5.816 0.004 . 1 . . . . . 78 SER HA . 51726 1 659 . 1 . 1 82 82 SER HB2 H 1 3.622 0.003 . 2 . . . . . 78 SER HB2 . 51726 1 660 . 1 . 1 82 82 SER HB3 H 1 3.622 0.003 . 2 . . . . . 78 SER HB3 . 51726 1 661 . 1 . 1 82 82 SER CA C 13 56.468 0.05 . 1 . . . . . 78 SER CA . 51726 1 662 . 1 . 1 82 82 SER CB C 13 67.016 0.039 . 1 . . . . . 78 SER CB . 51726 1 663 . 1 . 1 82 82 SER N N 15 114.56 0.021 . 1 . . . . . 78 SER N . 51726 1 664 . 1 . 1 83 83 PHE H H 1 9.674 0.002 . 1 . . . . . 79 PHE H . 51726 1 665 . 1 . 1 83 83 PHE HA H 1 5.738 0.005 . 1 . . . . . 79 PHE HA . 51726 1 666 . 1 . 1 83 83 PHE HB2 H 1 3.108 0.011 . 2 . . . . . 79 PHE HB2 . 51726 1 667 . 1 . 1 83 83 PHE HB3 H 1 3.108 0.011 . 2 . . . . . 79 PHE HB3 . 51726 1 668 . 1 . 1 83 83 PHE HD1 H 1 7.023 0.003 . 3 . . . . . 79 PHE HD1 . 51726 1 669 . 1 . 1 83 83 PHE HD2 H 1 7.023 0.003 . 3 . . . . . 79 PHE HD2 . 51726 1 670 . 1 . 1 83 83 PHE HE1 H 1 6.707 0.004 . 3 . . . . . 79 PHE HE1 . 51726 1 671 . 1 . 1 83 83 PHE HE2 H 1 6.707 0.004 . 3 . . . . . 79 PHE HE2 . 51726 1 672 . 1 . 1 83 83 PHE HZ H 1 7.017 0 . 1 . . . . . 79 PHE HZ . 51726 1 673 . 1 . 1 83 83 PHE CA C 13 56.384 0.073 . 1 . . . . . 79 PHE CA . 51726 1 674 . 1 . 1 83 83 PHE CB C 13 42.649 0.028 . 1 . . . . . 79 PHE CB . 51726 1 675 . 1 . 1 83 83 PHE CD1 C 13 132.763 0 . 3 . . . . . 79 PHE CD1 . 51726 1 676 . 1 . 1 83 83 PHE CD2 C 13 132.763 0 . 3 . . . . . 79 PHE CD2 . 51726 1 677 . 1 . 1 83 83 PHE CE1 C 13 130.811 0 . 3 . . . . . 79 PHE CE1 . 51726 1 678 . 1 . 1 83 83 PHE CE2 C 13 130.811 0 . 3 . . . . . 79 PHE CE2 . 51726 1 679 . 1 . 1 83 83 PHE CZ C 13 130.785 0 . 1 . . . . . 79 PHE CZ . 51726 1 680 . 1 . 1 83 83 PHE N N 15 120.725 0.024 . 1 . . . . . 79 PHE N . 51726 1 681 . 1 . 1 84 84 ILE H H 1 8.977 0.004 . 1 . . . . . 80 ILE H . 51726 1 682 . 1 . 1 84 84 ILE HA H 1 4.711 0.005 . 1 . . . . . 80 ILE HA . 51726 1 683 . 1 . 1 84 84 ILE HB H 1 1.761 0.006 . 1 . . . . . 80 ILE HB . 51726 1 684 . 1 . 1 84 84 ILE HG12 H 1 1.057 0.01 . 2 . . . . . 80 ILE HG12 . 51726 1 685 . 1 . 1 84 84 ILE HG13 H 1 1.505 0.007 . 2 . . . . . 80 ILE HG13 . 51726 1 686 . 1 . 1 84 84 ILE HG21 H 1 0.885 0.005 . 1 . . . . . 80 ILE MG . 51726 1 687 . 1 . 1 84 84 ILE HG22 H 1 0.885 0.005 . 1 . . . . . 80 ILE MG . 51726 1 688 . 1 . 1 84 84 ILE HG23 H 1 0.885 0.005 . 1 . . . . . 80 ILE MG . 51726 1 689 . 1 . 1 84 84 ILE HD11 H 1 0.846 0.004 . 1 . . . . . 80 ILE MD . 51726 1 690 . 1 . 1 84 84 ILE HD12 H 1 0.846 0.004 . 1 . . . . . 80 ILE MD . 51726 1 691 . 1 . 1 84 84 ILE HD13 H 1 0.846 0.004 . 1 . . . . . 80 ILE MD . 51726 1 692 . 1 . 1 84 84 ILE CA C 13 59.034 0.066 . 1 . . . . . 80 ILE CA . 51726 1 693 . 1 . 1 84 84 ILE CB C 13 42.259 0.055 . 1 . . . . . 80 ILE CB . 51726 1 694 . 1 . 1 84 84 ILE CG1 C 13 26.989 0.044 . 1 . . . . . 80 ILE CG1 . 51726 1 695 . 1 . 1 84 84 ILE CG2 C 13 18.486 0.065 . 1 . . . . . 80 ILE CG2 . 51726 1 696 . 1 . 1 84 84 ILE CD1 C 13 14.118 0.062 . 1 . . . . . 80 ILE CD1 . 51726 1 697 . 1 . 1 84 84 ILE N N 15 113.121 0.027 . 1 . . . . . 80 ILE N . 51726 1 698 . 1 . 1 85 85 GLN H H 1 9.157 0.001 . 1 . . . . . 81 GLN H . 51726 1 699 . 1 . 1 85 85 GLN HA H 1 5.071 0.007 . 1 . . . . . 81 GLN HA . 51726 1 700 . 1 . 1 85 85 GLN HB2 H 1 2.106 0.007 . 2 . . . . . 81 GLN HB2 . 51726 1 701 . 1 . 1 85 85 GLN HB3 H 1 2.138 0.013 . 2 . . . . . 81 GLN HB3 . 51726 1 702 . 1 . 1 85 85 GLN HG2 H 1 2.364 0.004 . 2 . . . . . 81 GLN HG2 . 51726 1 703 . 1 . 1 85 85 GLN HG3 H 1 2.487 0.001 . 2 . . . . . 81 GLN HG3 . 51726 1 704 . 1 . 1 85 85 GLN CA C 13 55.047 0.046 . 1 . . . . . 81 GLN CA . 51726 1 705 . 1 . 1 85 85 GLN CB C 13 30.004 0.054 . 1 . . . . . 81 GLN CB . 51726 1 706 . 1 . 1 85 85 GLN CG C 13 33.67 0.067 . 1 . . . . . 81 GLN CG . 51726 1 707 . 1 . 1 85 85 GLN N N 15 124.547 0.027 . 1 . . . . . 81 GLN N . 51726 1 708 . 1 . 1 86 86 GLN H H 1 9.044 0.003 . 1 . . . . . 82 GLN H . 51726 1 709 . 1 . 1 86 86 GLN HA H 1 4.682 0.012 . 1 . . . . . 82 GLN HA . 51726 1 710 . 1 . 1 86 86 GLN HB2 H 1 1.875 0.006 . 2 . . . . . 82 GLN HB2 . 51726 1 711 . 1 . 1 86 86 GLN HB3 H 1 2.028 0.002 . 2 . . . . . 82 GLN HB3 . 51726 1 712 . 1 . 1 86 86 GLN HG2 H 1 2.195 0.002 . 2 . . . . . 82 GLN HG2 . 51726 1 713 . 1 . 1 86 86 GLN HG3 H 1 2.195 0.002 . 2 . . . . . 82 GLN HG3 . 51726 1 714 . 1 . 1 86 86 GLN CA C 13 54.082 0.056 . 1 . . . . . 82 GLN CA . 51726 1 715 . 1 . 1 86 86 GLN CB C 13 30.128 0.042 . 1 . . . . . 82 GLN CB . 51726 1 716 . 1 . 1 86 86 GLN CG C 13 34.029 0.067 . 1 . . . . . 82 GLN CG . 51726 1 717 . 1 . 1 86 86 GLN N N 15 128.348 0.027 . 1 . . . . . 82 GLN N . 51726 1 718 . 1 . 1 87 87 GLY H H 1 9.011 0.002 . 1 . . . . . 83 GLY H . 51726 1 719 . 1 . 1 87 87 GLY HA2 H 1 4.029 0.009 . 2 . . . . . 83 GLY HA2 . 51726 1 720 . 1 . 1 87 87 GLY HA3 H 1 3.686 0.007 . 2 . . . . . 83 GLY HA3 . 51726 1 721 . 1 . 1 87 87 GLY CA C 13 47.228 0.083 . 1 . . . . . 83 GLY CA . 51726 1 722 . 1 . 1 87 87 GLY N N 15 116.484 0.047 . 1 . . . . . 83 GLY N . 51726 1 723 . 1 . 1 88 88 ASN H H 1 8.998 0.005 . 1 . . . . . 84 ASN H . 51726 1 724 . 1 . 1 88 88 ASN HA H 1 4.746 0.006 . 1 . . . . . 84 ASN HA . 51726 1 725 . 1 . 1 88 88 ASN HB2 H 1 2.882 0.005 . 2 . . . . . 84 ASN HB2 . 51726 1 726 . 1 . 1 88 88 ASN HB3 H 1 2.882 0.005 . 2 . . . . . 84 ASN HB3 . 51726 1 727 . 1 . 1 88 88 ASN CA C 13 53.385 0.075 . 1 . . . . . 84 ASN CA . 51726 1 728 . 1 . 1 88 88 ASN CB C 13 38.361 0.104 . 1 . . . . . 84 ASN CB . 51726 1 729 . 1 . 1 88 88 ASN N N 15 125.192 0.066 . 1 . . . . . 84 ASN N . 51726 1 730 . 1 . 1 89 89 ILE H H 1 8.07 0.001 . 1 . . . . . 85 ILE H . 51726 1 731 . 1 . 1 89 89 ILE HA H 1 4.231 0.013 . 1 . . . . . 85 ILE HA . 51726 1 732 . 1 . 1 89 89 ILE HB H 1 2.212 0.009 . 1 . . . . . 85 ILE HB . 51726 1 733 . 1 . 1 89 89 ILE HG12 H 1 1.584 0.006 . 2 . . . . . 85 ILE HG12 . 51726 1 734 . 1 . 1 89 89 ILE HG13 H 1 1.312 0.003 . 2 . . . . . 85 ILE HG13 . 51726 1 735 . 1 . 1 89 89 ILE HG21 H 1 0.903 0.007 . 1 . . . . . 85 ILE MG . 51726 1 736 . 1 . 1 89 89 ILE HG22 H 1 0.903 0.007 . 1 . . . . . 85 ILE MG . 51726 1 737 . 1 . 1 89 89 ILE HG23 H 1 0.903 0.007 . 1 . . . . . 85 ILE MG . 51726 1 738 . 1 . 1 89 89 ILE HD11 H 1 0.843 0.006 . 1 . . . . . 85 ILE MD . 51726 1 739 . 1 . 1 89 89 ILE HD12 H 1 0.843 0.006 . 1 . . . . . 85 ILE MD . 51726 1 740 . 1 . 1 89 89 ILE HD13 H 1 0.843 0.006 . 1 . . . . . 85 ILE MD . 51726 1 741 . 1 . 1 89 89 ILE CA C 13 60.276 0.099 . 1 . . . . . 85 ILE CA . 51726 1 742 . 1 . 1 89 89 ILE CB C 13 39.506 0.074 . 1 . . . . . 85 ILE CB . 51726 1 743 . 1 . 1 89 89 ILE CG1 C 13 27.151 0.113 . 1 . . . . . 85 ILE CG1 . 51726 1 744 . 1 . 1 89 89 ILE CG2 C 13 17.442 0.127 . 1 . . . . . 85 ILE CG2 . 51726 1 745 . 1 . 1 89 89 ILE CD1 C 13 12.391 0.091 . 1 . . . . . 85 ILE CD1 . 51726 1 746 . 1 . 1 89 89 ILE N N 15 121.552 0.033 . 1 . . . . . 85 ILE N . 51726 1 747 . 1 . 1 90 90 SER H H 1 8.404 0.005 . 1 . . . . . 86 SER H . 51726 1 748 . 1 . 1 90 90 SER HA H 1 5.223 0.004 . 1 . . . . . 86 SER HA . 51726 1 749 . 1 . 1 90 90 SER HB2 H 1 3.409 0.004 . 2 . . . . . 86 SER HB2 . 51726 1 750 . 1 . 1 90 90 SER HB3 H 1 3.707 0.006 . 2 . . . . . 86 SER HB3 . 51726 1 751 . 1 . 1 90 90 SER CA C 13 57.842 0.043 . 1 . . . . . 86 SER CA . 51726 1 752 . 1 . 1 90 90 SER CB C 13 64.477 0.033 . 1 . . . . . 86 SER CB . 51726 1 753 . 1 . 1 90 90 SER N N 15 123.951 0.029 . 1 . . . . . 86 SER N . 51726 1 754 . 1 . 1 91 91 LEU H H 1 9.315 0.002 . 1 . . . . . 87 LEU H . 51726 1 755 . 1 . 1 91 91 LEU HA H 1 4.842 0.003 . 1 . . . . . 87 LEU HA . 51726 1 756 . 1 . 1 91 91 LEU HB2 H 1 1.293 0.003 . 2 . . . . . 87 LEU HB2 . 51726 1 757 . 1 . 1 91 91 LEU HB3 H 1 1.975 0.01 . 2 . . . . . 87 LEU HB3 . 51726 1 758 . 1 . 1 91 91 LEU HG H 1 1.522 0.004 . 1 . . . . . 87 LEU HG . 51726 1 759 . 1 . 1 91 91 LEU HD11 H 1 0.853 0.002 . 2 . . . . . 87 LEU MD1 . 51726 1 760 . 1 . 1 91 91 LEU HD12 H 1 0.853 0.002 . 2 . . . . . 87 LEU MD1 . 51726 1 761 . 1 . 1 91 91 LEU HD13 H 1 0.853 0.002 . 2 . . . . . 87 LEU MD1 . 51726 1 762 . 1 . 1 91 91 LEU HD21 H 1 0.832 0.004 . 2 . . . . . 87 LEU MD2 . 51726 1 763 . 1 . 1 91 91 LEU HD22 H 1 0.832 0.004 . 2 . . . . . 87 LEU MD2 . 51726 1 764 . 1 . 1 91 91 LEU HD23 H 1 0.832 0.004 . 2 . . . . . 87 LEU MD2 . 51726 1 765 . 1 . 1 91 91 LEU CA C 13 54.144 0.05 . 1 . . . . . 87 LEU CA . 51726 1 766 . 1 . 1 91 91 LEU CB C 13 44.427 0.118 . 1 . . . . . 87 LEU CB . 51726 1 767 . 1 . 1 91 91 LEU CG C 13 27.002 0.028 . 1 . . . . . 87 LEU CG . 51726 1 768 . 1 . 1 91 91 LEU CD1 C 13 23.959 0.052 . 2 . . . . . 87 LEU CD1 . 51726 1 769 . 1 . 1 91 91 LEU CD2 C 13 25.546 0.126 . 2 . . . . . 87 LEU CD2 . 51726 1 770 . 1 . 1 91 91 LEU N N 15 129.905 0.023 . 1 . . . . . 87 LEU N . 51726 1 771 . 1 . 1 92 92 LEU H H 1 9.488 0.002 . 1 . . . . . 88 LEU H . 51726 1 772 . 1 . 1 92 92 LEU HA H 1 4.56 0.007 . 1 . . . . . 88 LEU HA . 51726 1 773 . 1 . 1 92 92 LEU HB2 H 1 1.828 0.007 . 2 . . . . . 88 LEU HB2 . 51726 1 774 . 1 . 1 92 92 LEU HB3 H 1 1.499 0.005 . 2 . . . . . 88 LEU HB3 . 51726 1 775 . 1 . 1 92 92 LEU HG H 1 1.802 0.003 . 1 . . . . . 88 LEU HG . 51726 1 776 . 1 . 1 92 92 LEU HD11 H 1 0.696 0.003 . 2 . . . . . 88 LEU MD1 . 51726 1 777 . 1 . 1 92 92 LEU HD12 H 1 0.696 0.003 . 2 . . . . . 88 LEU MD1 . 51726 1 778 . 1 . 1 92 92 LEU HD13 H 1 0.696 0.003 . 2 . . . . . 88 LEU MD1 . 51726 1 779 . 1 . 1 92 92 LEU HD21 H 1 0.748 0.003 . 2 . . . . . 88 LEU MD2 . 51726 1 780 . 1 . 1 92 92 LEU HD22 H 1 0.748 0.003 . 2 . . . . . 88 LEU MD2 . 51726 1 781 . 1 . 1 92 92 LEU HD23 H 1 0.748 0.003 . 2 . . . . . 88 LEU MD2 . 51726 1 782 . 1 . 1 92 92 LEU CA C 13 56.346 0.092 . 1 . . . . . 88 LEU CA . 51726 1 783 . 1 . 1 92 92 LEU CB C 13 43.36 0.086 . 1 . . . . . 88 LEU CB . 51726 1 784 . 1 . 1 92 92 LEU CG C 13 27.557 0.088 . 1 . . . . . 88 LEU CG . 51726 1 785 . 1 . 1 92 92 LEU CD1 C 13 24.756 0.062 . 2 . . . . . 88 LEU CD1 . 51726 1 786 . 1 . 1 92 92 LEU CD2 C 13 26.176 0.099 . 2 . . . . . 88 LEU CD2 . 51726 1 787 . 1 . 1 92 92 LEU N N 15 126.3 0.017 . 1 . . . . . 88 LEU N . 51726 1 788 . 1 . 1 93 93 LYS H H 1 9.442 0.004 . 1 . . . . . 89 LYS H . 51726 1 789 . 1 . 1 93 93 LYS HA H 1 4.598 0.006 . 1 . . . . . 89 LYS HA . 51726 1 790 . 1 . 1 93 93 LYS HB2 H 1 1.683 0.007 . 2 . . . . . 89 LYS HB2 . 51726 1 791 . 1 . 1 93 93 LYS HB3 H 1 1.822 0.006 . 2 . . . . . 89 LYS HB3 . 51726 1 792 . 1 . 1 93 93 LYS HG2 H 1 1.488 0.023 . 2 . . . . . 89 LYS HG2 . 51726 1 793 . 1 . 1 93 93 LYS HG3 H 1 1.426 0.005 . 2 . . . . . 89 LYS HG3 . 51726 1 794 . 1 . 1 93 93 LYS HE2 H 1 2.911 0.032 . 2 . . . . . 89 LYS HE2 . 51726 1 795 . 1 . 1 93 93 LYS HE3 H 1 2.911 0.032 . 2 . . . . . 89 LYS HE3 . 51726 1 796 . 1 . 1 93 93 LYS CA C 13 54.974 0.089 . 1 . . . . . 89 LYS CA . 51726 1 797 . 1 . 1 93 93 LYS CB C 13 33.077 0.09 . 1 . . . . . 89 LYS CB . 51726 1 798 . 1 . 1 93 93 LYS CG C 13 24.027 0.104 . 1 . . . . . 89 LYS CG . 51726 1 799 . 1 . 1 93 93 LYS CD C 13 27.46 0.057 . 1 . . . . . 89 LYS CD . 51726 1 800 . 1 . 1 93 93 LYS CE C 13 41.747 0.118 . 1 . . . . . 89 LYS CE . 51726 1 801 . 1 . 1 93 93 LYS N N 15 123.261 0.03 . 1 . . . . . 89 LYS N . 51726 1 802 . 1 . 1 94 94 SER H H 1 7.868 0.004 . 1 . . . . . 90 SER H . 51726 1 803 . 1 . 1 94 94 SER HA H 1 4.689 0.004 . 1 . . . . . 90 SER HA . 51726 1 804 . 1 . 1 94 94 SER HB2 H 1 3.835 0.006 . 2 . . . . . 90 SER HB2 . 51726 1 805 . 1 . 1 94 94 SER HB3 H 1 3.878 0.002 . 2 . . . . . 90 SER HB3 . 51726 1 806 . 1 . 1 94 94 SER CA C 13 58.083 0.073 . 1 . . . . . 90 SER CA . 51726 1 807 . 1 . 1 94 94 SER CB C 13 65.633 0.052 . 1 . . . . . 90 SER CB . 51726 1 808 . 1 . 1 94 94 SER N N 15 112.85 0.05 . 1 . . . . . 90 SER N . 51726 1 809 . 1 . 1 95 95 ILE H H 1 8.386 0.006 . 1 . . . . . 91 ILE H . 51726 1 810 . 1 . 1 95 95 ILE HA H 1 4.954 0.007 . 1 . . . . . 91 ILE HA . 51726 1 811 . 1 . 1 95 95 ILE HB H 1 1.99 0.006 . 1 . . . . . 91 ILE HB . 51726 1 812 . 1 . 1 95 95 ILE HG12 H 1 0.82 0.006 . 2 . . . . . 91 ILE HG12 . 51726 1 813 . 1 . 1 95 95 ILE HG13 H 1 1.602 0.003 . 2 . . . . . 91 ILE HG13 . 51726 1 814 . 1 . 1 95 95 ILE HG21 H 1 0.738 0.011 . 1 . . . . . 91 ILE MG . 51726 1 815 . 1 . 1 95 95 ILE HG22 H 1 0.738 0.011 . 1 . . . . . 91 ILE MG . 51726 1 816 . 1 . 1 95 95 ILE HG23 H 1 0.738 0.011 . 1 . . . . . 91 ILE MG . 51726 1 817 . 1 . 1 95 95 ILE HD11 H 1 0.602 0.004 . 1 . . . . . 91 ILE MD . 51726 1 818 . 1 . 1 95 95 ILE HD12 H 1 0.602 0.004 . 1 . . . . . 91 ILE MD . 51726 1 819 . 1 . 1 95 95 ILE HD13 H 1 0.602 0.004 . 1 . . . . . 91 ILE MD . 51726 1 820 . 1 . 1 95 95 ILE CA C 13 61.391 0.077 . 1 . . . . . 91 ILE CA . 51726 1 821 . 1 . 1 95 95 ILE CB C 13 40.017 0.083 . 1 . . . . . 91 ILE CB . 51726 1 822 . 1 . 1 95 95 ILE CG1 C 13 28.665 0.107 . 1 . . . . . 91 ILE CG1 . 51726 1 823 . 1 . 1 95 95 ILE CG2 C 13 14.795 0.068 . 1 . . . . . 91 ILE CG2 . 51726 1 824 . 1 . 1 95 95 ILE CD1 C 13 15.747 0.096 . 1 . . . . . 91 ILE CD1 . 51726 1 825 . 1 . 1 95 95 ILE N N 15 118.581 0.023 . 1 . . . . . 91 ILE N . 51726 1 826 . 1 . 1 96 96 ASN H H 1 8.867 0.008 . 1 . . . . . 92 ASN H . 51726 1 827 . 1 . 1 96 96 ASN HA H 1 5.028 0.006 . 1 . . . . . 92 ASN HA . 51726 1 828 . 1 . 1 96 96 ASN HB2 H 1 2.572 0.003 . 2 . . . . . 92 ASN HB2 . 51726 1 829 . 1 . 1 96 96 ASN HB3 H 1 2.682 0.001 . 2 . . . . . 92 ASN HB3 . 51726 1 830 . 1 . 1 96 96 ASN CA C 13 52.552 0.044 . 1 . . . . . 92 ASN CA . 51726 1 831 . 1 . 1 96 96 ASN CB C 13 42.448 0.067 . 1 . . . . . 92 ASN CB . 51726 1 832 . 1 . 1 96 96 ASN N N 15 122.516 0.063 . 1 . . . . . 92 ASN N . 51726 1 833 . 1 . 1 97 97 VAL H H 1 8.842 0.002 . 1 . . . . . 93 VAL H . 51726 1 834 . 1 . 1 97 97 VAL HA H 1 4.497 0.006 . 1 . . . . . 93 VAL HA . 51726 1 835 . 1 . 1 97 97 VAL HB H 1 2.002 0.009 . 1 . . . . . 93 VAL HB . 51726 1 836 . 1 . 1 97 97 VAL HG11 H 1 0.965 0.002 . 2 . . . . . 93 VAL MG1 . 51726 1 837 . 1 . 1 97 97 VAL HG12 H 1 0.965 0.002 . 2 . . . . . 93 VAL MG1 . 51726 1 838 . 1 . 1 97 97 VAL HG13 H 1 0.965 0.002 . 2 . . . . . 93 VAL MG1 . 51726 1 839 . 1 . 1 97 97 VAL HG21 H 1 1.007 0.01 . 2 . . . . . 93 VAL MG2 . 51726 1 840 . 1 . 1 97 97 VAL HG22 H 1 1.007 0.01 . 2 . . . . . 93 VAL MG2 . 51726 1 841 . 1 . 1 97 97 VAL HG23 H 1 1.007 0.01 . 2 . . . . . 93 VAL MG2 . 51726 1 842 . 1 . 1 97 97 VAL CA C 13 63.173 0.08 . 1 . . . . . 93 VAL CA . 51726 1 843 . 1 . 1 97 97 VAL CB C 13 32.099 0.086 . 1 . . . . . 93 VAL CB . 51726 1 844 . 1 . 1 97 97 VAL CG1 C 13 22.453 0.065 . 2 . . . . . 93 VAL CG1 . 51726 1 845 . 1 . 1 97 97 VAL CG2 C 13 21.323 0.111 . 2 . . . . . 93 VAL CG2 . 51726 1 846 . 1 . 1 97 97 VAL N N 15 123.512 0.042 . 1 . . . . . 93 VAL N . 51726 1 847 . 1 . 1 98 98 THR H H 1 8.907 0.013 . 1 . . . . . 94 THR H . 51726 1 848 . 1 . 1 98 98 THR HA H 1 4.362 0.003 . 1 . . . . . 94 THR HA . 51726 1 849 . 1 . 1 98 98 THR HB H 1 4.131 0.006 . 1 . . . . . 94 THR HB . 51726 1 850 . 1 . 1 98 98 THR HG21 H 1 1.116 0.009 . 1 . . . . . 94 THR MG . 51726 1 851 . 1 . 1 98 98 THR HG22 H 1 1.116 0.009 . 1 . . . . . 94 THR MG . 51726 1 852 . 1 . 1 98 98 THR HG23 H 1 1.116 0.009 . 1 . . . . . 94 THR MG . 51726 1 853 . 1 . 1 98 98 THR CA C 13 61.763 0.071 . 1 . . . . . 94 THR CA . 51726 1 854 . 1 . 1 98 98 THR CB C 13 69.877 0.095 . 1 . . . . . 94 THR CB . 51726 1 855 . 1 . 1 98 98 THR CG2 C 13 22.008 0.057 . 1 . . . . . 94 THR CG2 . 51726 1 856 . 1 . 1 98 98 THR N N 15 122.214 0.049 . 1 . . . . . 94 THR N . 51726 1 857 . 1 . 1 99 99 GLN H H 1 8.217 0.027 . 1 . . . . . 95 GLN H . 51726 1 858 . 1 . 1 99 99 GLN HA H 1 4.387 0.01 . 1 . . . . . 95 GLN HA . 51726 1 859 . 1 . 1 99 99 GLN HB2 H 1 2.001 0.012 . 2 . . . . . 95 GLN HB2 . 51726 1 860 . 1 . 1 99 99 GLN HB3 H 1 2.001 0.012 . 2 . . . . . 95 GLN HB3 . 51726 1 861 . 1 . 1 99 99 GLN HG2 H 1 2.341 0.006 . 2 . . . . . 95 GLN HG2 . 51726 1 862 . 1 . 1 99 99 GLN HG3 H 1 2.341 0.006 . 2 . . . . . 95 GLN HG3 . 51726 1 863 . 1 . 1 99 99 GLN CA C 13 56.081 0.093 . 1 . . . . . 95 GLN CA . 51726 1 864 . 1 . 1 99 99 GLN CB C 13 30.253 0.13 . 1 . . . . . 95 GLN CB . 51726 1 865 . 1 . 1 99 99 GLN CG C 13 33.862 0.041 . 1 . . . . . 95 GLN CG . 51726 1 866 . 1 . 1 99 99 GLN N N 15 122.614 0.1 . 1 . . . . . 95 GLN N . 51726 1 867 . 1 . 1 100 100 SER H H 1 8.195 0.01 . 1 . . . . . 96 SER H . 51726 1 868 . 1 . 1 100 100 SER HA H 1 4.17 0.005 . 1 . . . . . 96 SER HA . 51726 1 869 . 1 . 1 100 100 SER HB2 H 1 3.735 0.004 . 2 . . . . . 96 SER HB2 . 51726 1 870 . 1 . 1 100 100 SER HB3 H 1 3.771 0.007 . 2 . . . . . 96 SER HB3 . 51726 1 871 . 1 . 1 100 100 SER CA C 13 60.18 0.016 . 1 . . . . . 96 SER CA . 51726 1 872 . 1 . 1 100 100 SER CB C 13 64.613 0.052 . 1 . . . . . 96 SER CB . 51726 1 873 . 1 . 1 100 100 SER N N 15 124.506 0.039 . 1 . . . . . 96 SER N . 51726 1 stop_ save_