################################### # 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_chemical_shift_ZR18_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_ZR18_1 _Assigned_chem_shift_list.Entry_ID 5844 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5844 1 . . 2 $sample_2 . 5844 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.823 0.02 . 1 . . . . . . . . 5844 1 2 . 1 1 1 1 MET HB2 H 1 1.956 0.02 . 2 . . . . . . . . 5844 1 3 . 1 1 1 1 MET HB3 H 1 1.976 0.02 . 2 . . . . . . . . 5844 1 4 . 1 1 1 1 MET HG2 H 1 2.151 0.02 . 2 . . . . . . . . 5844 1 5 . 1 1 1 1 MET HG3 H 1 2.036 0.02 . 2 . . . . . . . . 5844 1 6 . 1 1 1 1 MET C C 13 170.978 0.1 . 1 . . . . . . . . 5844 1 7 . 1 1 1 1 MET CA C 13 55.193 0.1 . 1 . . . . . . . . 5844 1 8 . 1 1 1 1 MET CB C 13 34.019 0.1 . 1 . . . . . . . . 5844 1 9 . 1 1 1 1 MET CG C 13 31.136 0.1 . 1 . . . . . . . . 5844 1 10 . 1 1 2 2 LYS H H 1 8.560 0.02 . 1 . . . . . . . . 5844 1 11 . 1 1 2 2 LYS HA H 1 4.620 0.02 . 1 . . . . . . . . 5844 1 12 . 1 1 2 2 LYS HB2 H 1 1.494 0.02 . 2 . . . . . . . . 5844 1 13 . 1 1 2 2 LYS HB3 H 1 1.329 0.02 . 2 . . . . . . . . 5844 1 14 . 1 1 2 2 LYS HG2 H 1 1.384 0.02 . 2 . . . . . . . . 5844 1 15 . 1 1 2 2 LYS HG3 H 1 1.223 0.02 . 2 . . . . . . . . 5844 1 16 . 1 1 2 2 LYS HD2 H 1 1.604 0.02 . 2 . . . . . . . . 5844 1 17 . 1 1 2 2 LYS HD3 H 1 1.651 0.02 . 2 . . . . . . . . 5844 1 18 . 1 1 2 2 LYS HE2 H 1 2.909 0.02 . 2 . . . . . . . . 5844 1 19 . 1 1 2 2 LYS C C 13 174.608 0.1 . 1 . . . . . . . . 5844 1 20 . 1 1 2 2 LYS CA C 13 54.206 0.1 . 1 . . . . . . . . 5844 1 21 . 1 1 2 2 LYS CB C 13 35.916 0.1 . 1 . . . . . . . . 5844 1 22 . 1 1 2 2 LYS CG C 13 24.011 0.1 . 1 . . . . . . . . 5844 1 23 . 1 1 2 2 LYS CD C 13 29.373 0.1 . 1 . . . . . . . . 5844 1 24 . 1 1 2 2 LYS CE C 13 42.086 0.1 . 1 . . . . . . . . 5844 1 25 . 1 1 2 2 LYS N N 15 122.783 0.1 . 1 . . . . . . . . 5844 1 26 . 1 1 3 3 ILE H H 1 8.373 0.02 . 1 . . . . . . . . 5844 1 27 . 1 1 3 3 ILE HA H 1 3.659 0.02 . 1 . . . . . . . . 5844 1 28 . 1 1 3 3 ILE HB H 1 1.486 0.02 . 1 . . . . . . . . 5844 1 29 . 1 1 3 3 ILE HG12 H 1 0.781 0.02 . 2 . . . . . . . . 5844 1 30 . 1 1 3 3 ILE HG13 H 1 0.060 0.02 . 2 . . . . . . . . 5844 1 31 . 1 1 3 3 ILE HG21 H 1 0.595 0.02 . 1 . . . . . . . . 5844 1 32 . 1 1 3 3 ILE HG22 H 1 0.595 0.02 . 1 . . . . . . . . 5844 1 33 . 1 1 3 3 ILE HG23 H 1 0.595 0.02 . 1 . . . . . . . . 5844 1 34 . 1 1 3 3 ILE HD11 H 1 0.775 0.02 . 1 . . . . . . . . 5844 1 35 . 1 1 3 3 ILE HD12 H 1 0.775 0.02 . 1 . . . . . . . . 5844 1 36 . 1 1 3 3 ILE HD13 H 1 0.775 0.02 . 1 . . . . . . . . 5844 1 37 . 1 1 3 3 ILE C C 13 176.569 0.1 . 1 . . . . . . . . 5844 1 38 . 1 1 3 3 ILE CA C 13 62.565 0.1 . 1 . . . . . . . . 5844 1 39 . 1 1 3 3 ILE CB C 13 38.792 0.1 . 1 . . . . . . . . 5844 1 40 . 1 1 3 3 ILE CG1 C 13 27.255 0.1 . 1 . . . . . . . . 5844 1 41 . 1 1 3 3 ILE CG2 C 13 17.200 0.1 . 1 . . . . . . . . 5844 1 42 . 1 1 3 3 ILE CD1 C 13 14.332 0.1 . 1 . . . . . . . . 5844 1 43 . 1 1 3 3 ILE N N 15 120.076 0.1 . 1 . . . . . . . . 5844 1 44 . 1 1 4 4 ILE H H 1 9.159 0.02 . 1 . . . . . . . . 5844 1 45 . 1 1 4 4 ILE HA H 1 4.135 0.02 . 1 . . . . . . . . 5844 1 46 . 1 1 4 4 ILE HB H 1 1.613 0.02 . 1 . . . . . . . . 5844 1 47 . 1 1 4 4 ILE HG12 H 1 1.164 0.02 . 2 . . . . . . . . 5844 1 48 . 1 1 4 4 ILE HG13 H 1 1.025 0.02 . 2 . . . . . . . . 5844 1 49 . 1 1 4 4 ILE HG21 H 1 0.802 0.02 . 1 . . . . . . . . 5844 1 50 . 1 1 4 4 ILE HG22 H 1 0.802 0.02 . 1 . . . . . . . . 5844 1 51 . 1 1 4 4 ILE HG23 H 1 0.802 0.02 . 1 . . . . . . . . 5844 1 52 . 1 1 4 4 ILE HD11 H 1 0.640 0.02 . 1 . . . . . . . . 5844 1 53 . 1 1 4 4 ILE HD12 H 1 0.640 0.02 . 1 . . . . . . . . 5844 1 54 . 1 1 4 4 ILE HD13 H 1 0.640 0.02 . 1 . . . . . . . . 5844 1 55 . 1 1 4 4 ILE C C 13 176.194 0.1 . 1 . . . . . . . . 5844 1 56 . 1 1 4 4 ILE CA C 13 60.586 0.1 . 1 . . . . . . . . 5844 1 57 . 1 1 4 4 ILE CB C 13 37.466 0.1 . 1 . . . . . . . . 5844 1 58 . 1 1 4 4 ILE CG1 C 13 26.368 0.1 . 1 . . . . . . . . 5844 1 59 . 1 1 4 4 ILE CG2 C 13 16.570 0.1 . 1 . . . . . . . . 5844 1 60 . 1 1 4 4 ILE CD1 C 13 10.304 0.1 . 1 . . . . . . . . 5844 1 61 . 1 1 4 4 ILE N N 15 127.239 0.1 . 1 . . . . . . . . 5844 1 62 . 1 1 5 5 SER H H 1 7.482 0.02 . 1 . . . . . . . . 5844 1 63 . 1 1 5 5 SER HA H 1 4.545 0.02 . 1 . . . . . . . . 5844 1 64 . 1 1 5 5 SER HB2 H 1 3.784 0.02 . 1 . . . . . . . . 5844 1 65 . 1 1 5 5 SER HB3 H 1 3.784 0.02 . 1 . . . . . . . . 5844 1 66 . 1 1 5 5 SER C C 13 171.580 0.1 . 1 . . . . . . . . 5844 1 67 . 1 1 5 5 SER CA C 13 57.655 0.1 . 1 . . . . . . . . 5844 1 68 . 1 1 5 5 SER CB C 13 65.178 0.1 . 1 . . . . . . . . 5844 1 69 . 1 1 5 5 SER N N 15 112.465 0.1 . 1 . . . . . . . . 5844 1 70 . 1 1 6 6 ILE H H 1 8.402 0.02 . 1 . . . . . . . . 5844 1 71 . 1 1 6 6 ILE HA H 1 4.683 0.02 . 1 . . . . . . . . 5844 1 72 . 1 1 6 6 ILE HB H 1 1.604 0.02 . 1 . . . . . . . . 5844 1 73 . 1 1 6 6 ILE HG12 H 1 1.557 0.02 . 2 . . . . . . . . 5844 1 74 . 1 1 6 6 ILE HG13 H 1 0.890 0.02 . 2 . . . . . . . . 5844 1 75 . 1 1 6 6 ILE HG21 H 1 0.702 0.02 . 1 . . . . . . . . 5844 1 76 . 1 1 6 6 ILE HG22 H 1 0.702 0.02 . 1 . . . . . . . . 5844 1 77 . 1 1 6 6 ILE HG23 H 1 0.702 0.02 . 1 . . . . . . . . 5844 1 78 . 1 1 6 6 ILE HD11 H 1 0.829 0.02 . 1 . . . . . . . . 5844 1 79 . 1 1 6 6 ILE HD12 H 1 0.829 0.02 . 1 . . . . . . . . 5844 1 80 . 1 1 6 6 ILE HD13 H 1 0.829 0.02 . 1 . . . . . . . . 5844 1 81 . 1 1 6 6 ILE C C 13 175.289 0.1 . 1 . . . . . . . . 5844 1 82 . 1 1 6 6 ILE CA C 13 61.373 0.1 . 1 . . . . . . . . 5844 1 83 . 1 1 6 6 ILE CB C 13 40.612 0.1 . 1 . . . . . . . . 5844 1 84 . 1 1 6 6 ILE CG1 C 13 28.113 0.1 . 1 . . . . . . . . 5844 1 85 . 1 1 6 6 ILE CG2 C 13 17.923 0.1 . 1 . . . . . . . . 5844 1 86 . 1 1 6 6 ILE CD1 C 13 13.730 0.1 . 1 . . . . . . . . 5844 1 87 . 1 1 6 6 ILE N N 15 122.071 0.1 . 1 . . . . . . . . 5844 1 88 . 1 1 7 7 SER H H 1 9.201 0.02 . 1 . . . . . . . . 5844 1 89 . 1 1 7 7 SER HA H 1 4.814 0.02 . 1 . . . . . . . . 5844 1 90 . 1 1 7 7 SER HB2 H 1 3.622 0.02 . 2 . . . . . . . . 5844 1 91 . 1 1 7 7 SER HB3 H 1 3.744 0.02 . 2 . . . . . . . . 5844 1 92 . 1 1 7 7 SER C C 13 172.681 0.1 . 1 . . . . . . . . 5844 1 93 . 1 1 7 7 SER CA C 13 56.896 0.1 . 1 . . . . . . . . 5844 1 94 . 1 1 7 7 SER CB C 13 66.053 0.1 . 1 . . . . . . . . 5844 1 95 . 1 1 7 7 SER N N 15 121.348 0.1 . 1 . . . . . . . . 5844 1 96 . 1 1 8 8 GLU H H 1 8.542 0.02 . 1 . . . . . . . . 5844 1 97 . 1 1 8 8 GLU HA H 1 4.669 0.02 . 1 . . . . . . . . 5844 1 98 . 1 1 8 8 GLU HB2 H 1 2.113 0.02 . 2 . . . . . . . . 5844 1 99 . 1 1 8 8 GLU HB3 H 1 1.938 0.02 . 2 . . . . . . . . 5844 1 100 . 1 1 8 8 GLU HG2 H 1 2.241 0.02 . 1 . . . . . . . . 5844 1 101 . 1 1 8 8 GLU HG3 H 1 2.241 0.02 . 1 . . . . . . . . 5844 1 102 . 1 1 8 8 GLU C C 13 176.388 0.1 . 1 . . . . . . . . 5844 1 103 . 1 1 8 8 GLU CA C 13 56.702 0.1 . 1 . . . . . . . . 5844 1 104 . 1 1 8 8 GLU CB C 13 30.736 0.1 . 1 . . . . . . . . 5844 1 105 . 1 1 8 8 GLU CG C 13 36.787 0.1 . 1 . . . . . . . . 5844 1 106 . 1 1 8 8 GLU N N 15 123.371 0.1 . 1 . . . . . . . . 5844 1 107 . 1 1 9 9 THR H H 1 8.663 0.02 . 1 . . . . . . . . 5844 1 108 . 1 1 9 9 THR HA H 1 4.958 0.02 . 1 . . . . . . . . 5844 1 109 . 1 1 9 9 THR HB H 1 4.516 0.02 . 1 . . . . . . . . 5844 1 110 . 1 1 9 9 THR HG21 H 1 1.108 0.02 . 1 . . . . . . . . 5844 1 111 . 1 1 9 9 THR HG22 H 1 1.108 0.02 . 1 . . . . . . . . 5844 1 112 . 1 1 9 9 THR HG23 H 1 1.108 0.02 . 1 . . . . . . . . 5844 1 113 . 1 1 9 9 THR CA C 13 60.316 0.1 . 1 . . . . . . . . 5844 1 114 . 1 1 9 9 THR CB C 13 69.478 0.1 . 1 . . . . . . . . 5844 1 115 . 1 1 9 9 THR CG2 C 13 21.130 0.1 . 1 . . . . . . . . 5844 1 116 . 1 1 9 9 THR N N 15 112.855 0.1 . 1 . . . . . . . . 5844 1 117 . 1 1 10 10 PRO HA H 1 4.376 0.02 . 1 . . . . . . . . 5844 1 118 . 1 1 10 10 PRO HB2 H 1 2.465 0.02 . 2 . . . . . . . . 5844 1 119 . 1 1 10 10 PRO HB3 H 1 1.842 0.02 . 2 . . . . . . . . 5844 1 120 . 1 1 10 10 PRO HG2 H 1 2.072 0.02 . 2 . . . . . . . . 5844 1 121 . 1 1 10 10 PRO HG3 H 1 1.915 0.02 . 2 . . . . . . . . 5844 1 122 . 1 1 10 10 PRO HD2 H 1 3.839 0.02 . 2 . . . . . . . . 5844 1 123 . 1 1 10 10 PRO HD3 H 1 3.643 0.02 . 2 . . . . . . . . 5844 1 124 . 1 1 10 10 PRO C C 13 176.126 0.1 . 1 . . . . . . . . 5844 1 125 . 1 1 10 10 PRO CA C 13 64.454 0.1 . 1 . . . . . . . . 5844 1 126 . 1 1 10 10 PRO CB C 13 32.008 0.1 . 1 . . . . . . . . 5844 1 127 . 1 1 10 10 PRO CG C 13 27.971 0.1 . 1 . . . . . . . . 5844 1 128 . 1 1 10 10 PRO CD C 13 51.341 0.1 . 1 . . . . . . . . 5844 1 129 . 1 1 11 11 ASN H H 1 7.621 0.02 . 1 . . . . . . . . 5844 1 130 . 1 1 11 11 ASN HA H 1 4.933 0.02 . 1 . . . . . . . . 5844 1 131 . 1 1 11 11 ASN HB2 H 1 2.860 0.02 . 2 . . . . . . . . 5844 1 132 . 1 1 11 11 ASN HB3 H 1 2.663 0.02 . 2 . . . . . . . . 5844 1 133 . 1 1 11 11 ASN HD21 H 1 7.634 0.02 . 1 . . . . . . . . 5844 1 134 . 1 1 11 11 ASN HD22 H 1 6.983 0.02 . 1 . . . . . . . . 5844 1 135 . 1 1 11 11 ASN CA C 13 51.559 0.1 . 1 . . . . . . . . 5844 1 136 . 1 1 11 11 ASN CB C 13 39.809 0.1 . 1 . . . . . . . . 5844 1 137 . 1 1 11 11 ASN N N 15 114.720 0.1 . 1 . . . . . . . . 5844 1 138 . 1 1 11 11 ASN ND2 N 15 113.599 0.1 . 1 . . . . . . . . 5844 1 139 . 1 1 12 12 HIS HA H 1 4.702 0.02 . 1 . . . . . . . . 5844 1 140 . 1 1 12 12 HIS HB2 H 1 3.491 0.02 . 2 . . . . . . . . 5844 1 141 . 1 1 12 12 HIS HB3 H 1 3.409 0.02 . 2 . . . . . . . . 5844 1 142 . 1 1 12 12 HIS HD2 H 1 7.311 0.02 . 1 . . . . . . . . 5844 1 143 . 1 1 12 12 HIS C C 13 175.663 0.1 . 1 . . . . . . . . 5844 1 144 . 1 1 12 12 HIS CA C 13 58.463 0.1 . 1 . . . . . . . . 5844 1 145 . 1 1 12 12 HIS CB C 13 28.533 0.1 . 1 . . . . . . . . 5844 1 146 . 1 1 12 12 HIS CD2 C 13 120.513 0.1 . 1 . . . . . . . . 5844 1 147 . 1 1 13 13 ASN H H 1 8.511 0.02 . 1 . . . . . . . . 5844 1 148 . 1 1 13 13 ASN HA H 1 5.018 0.02 . 1 . . . . . . . . 5844 1 149 . 1 1 13 13 ASN HB2 H 1 2.723 0.02 . 2 . . . . . . . . 5844 1 150 . 1 1 13 13 ASN HB3 H 1 3.330 0.02 . 2 . . . . . . . . 5844 1 151 . 1 1 13 13 ASN HD21 H 1 7.375 0.02 . 1 . . . . . . . . 5844 1 152 . 1 1 13 13 ASN HD22 H 1 7.222 0.02 . 1 . . . . . . . . 5844 1 153 . 1 1 13 13 ASN C C 13 174.367 0.1 . 1 . . . . . . . . 5844 1 154 . 1 1 13 13 ASN CA C 13 53.890 0.1 . 1 . . . . . . . . 5844 1 155 . 1 1 13 13 ASN CB C 13 38.854 0.1 . 1 . . . . . . . . 5844 1 156 . 1 1 13 13 ASN N N 15 115.359 0.1 . 1 . . . . . . . . 5844 1 157 . 1 1 13 13 ASN ND2 N 15 113.227 0.1 . 1 . . . . . . . . 5844 1 158 . 1 1 14 14 THR H H 1 8.234 0.02 . 1 . . . . . . . . 5844 1 159 . 1 1 14 14 THR HA H 1 5.980 0.02 . 1 . . . . . . . . 5844 1 160 . 1 1 14 14 THR HB H 1 3.824 0.02 . 1 . . . . . . . . 5844 1 161 . 1 1 14 14 THR HG21 H 1 1.213 0.02 . 1 . . . . . . . . 5844 1 162 . 1 1 14 14 THR HG22 H 1 1.213 0.02 . 1 . . . . . . . . 5844 1 163 . 1 1 14 14 THR HG23 H 1 1.213 0.02 . 1 . . . . . . . . 5844 1 164 . 1 1 14 14 THR C C 13 174.278 0.1 . 1 . . . . . . . . 5844 1 165 . 1 1 14 14 THR CA C 13 62.729 0.1 . 1 . . . . . . . . 5844 1 166 . 1 1 14 14 THR CB C 13 71.595 0.1 . 1 . . . . . . . . 5844 1 167 . 1 1 14 14 THR CG2 C 13 22.584 0.1 . 1 . . . . . . . . 5844 1 168 . 1 1 14 14 THR N N 15 117.676 0.1 . 1 . . . . . . . . 5844 1 169 . 1 1 15 15 MET H H 1 8.994 0.02 . 1 . . . . . . . . 5844 1 170 . 1 1 15 15 MET HA H 1 4.868 0.02 . 1 . . . . . . . . 5844 1 171 . 1 1 15 15 MET HB2 H 1 1.282 0.02 . 2 . . . . . . . . 5844 1 172 . 1 1 15 15 MET HB3 H 1 0.912 0.02 . 2 . . . . . . . . 5844 1 173 . 1 1 15 15 MET HG2 H 1 1.282 0.02 . 2 . . . . . . . . 5844 1 174 . 1 1 15 15 MET HG3 H 1 1.252 0.02 . 2 . . . . . . . . 5844 1 175 . 1 1 15 15 MET HE1 H 1 1.149 0.02 . 1 . . . . . . . . 5844 1 176 . 1 1 15 15 MET HE2 H 1 1.149 0.02 . 1 . . . . . . . . 5844 1 177 . 1 1 15 15 MET HE3 H 1 1.149 0.02 . 1 . . . . . . . . 5844 1 178 . 1 1 15 15 MET C C 13 173.748 0.1 . 1 . . . . . . . . 5844 1 179 . 1 1 15 15 MET CA C 13 53.076 0.1 . 1 . . . . . . . . 5844 1 180 . 1 1 15 15 MET CB C 13 34.692 0.1 . 1 . . . . . . . . 5844 1 181 . 1 1 15 15 MET CG C 13 31.698 0.1 . 1 . . . . . . . . 5844 1 182 . 1 1 15 15 MET CE C 13 15.886 0.1 . 1 . . . . . . . . 5844 1 183 . 1 1 15 15 MET N N 15 127.785 0.1 . 1 . . . . . . . . 5844 1 184 . 1 1 16 16 LYS H H 1 8.740 0.02 . 1 . . . . . . . . 5844 1 185 . 1 1 16 16 LYS HA H 1 5.017 0.02 . 1 . . . . . . . . 5844 1 186 . 1 1 16 16 LYS HB2 H 1 1.347 0.02 . 2 . . . . . . . . 5844 1 187 . 1 1 16 16 LYS HB3 H 1 1.672 0.02 . 2 . . . . . . . . 5844 1 188 . 1 1 16 16 LYS HG2 H 1 1.058 0.02 . 2 . . . . . . . . 5844 1 189 . 1 1 16 16 LYS HG3 H 1 0.877 0.02 . 2 . . . . . . . . 5844 1 190 . 1 1 16 16 LYS HD2 H 1 1.087 0.02 . 1 . . . . . . . . 5844 1 191 . 1 1 16 16 LYS HD3 H 1 1.087 0.02 . 1 . . . . . . . . 5844 1 192 . 1 1 16 16 LYS HE2 H 1 2.033 0.02 . 2 . . . . . . . . 5844 1 193 . 1 1 16 16 LYS HE3 H 1 1.431 0.02 . 2 . . . . . . . . 5844 1 194 . 1 1 16 16 LYS C C 13 175.183 0.1 . 1 . . . . . . . . 5844 1 195 . 1 1 16 16 LYS CA C 13 55.840 0.1 . 1 . . . . . . . . 5844 1 196 . 1 1 16 16 LYS CB C 13 34.524 0.1 . 1 . . . . . . . . 5844 1 197 . 1 1 16 16 LYS CG C 13 25.371 0.1 . 1 . . . . . . . . 5844 1 198 . 1 1 16 16 LYS CD C 13 29.625 0.1 . 1 . . . . . . . . 5844 1 199 . 1 1 16 16 LYS CE C 13 41.036 0.1 . 1 . . . . . . . . 5844 1 200 . 1 1 16 16 LYS N N 15 125.158 0.1 . 1 . . . . . . . . 5844 1 201 . 1 1 17 17 ILE H H 1 9.821 0.02 . 1 . . . . . . . . 5844 1 202 . 1 1 17 17 ILE HA H 1 4.738 0.02 . 1 . . . . . . . . 5844 1 203 . 1 1 17 17 ILE HB H 1 2.089 0.02 . 1 . . . . . . . . 5844 1 204 . 1 1 17 17 ILE HG12 H 1 0.993 0.02 . 2 . . . . . . . . 5844 1 205 . 1 1 17 17 ILE HG13 H 1 1.552 0.02 . 2 . . . . . . . . 5844 1 206 . 1 1 17 17 ILE HG21 H 1 0.706 0.02 . 1 . . . . . . . . 5844 1 207 . 1 1 17 17 ILE HG22 H 1 0.706 0.02 . 1 . . . . . . . . 5844 1 208 . 1 1 17 17 ILE HG23 H 1 0.706 0.02 . 1 . . . . . . . . 5844 1 209 . 1 1 17 17 ILE HD11 H 1 0.796 0.02 . 1 . . . . . . . . 5844 1 210 . 1 1 17 17 ILE HD12 H 1 0.796 0.02 . 1 . . . . . . . . 5844 1 211 . 1 1 17 17 ILE HD13 H 1 0.796 0.02 . 1 . . . . . . . . 5844 1 212 . 1 1 17 17 ILE C C 13 175.153 0.1 . 1 . . . . . . . . 5844 1 213 . 1 1 17 17 ILE CA C 13 60.903 0.1 . 1 . . . . . . . . 5844 1 214 . 1 1 17 17 ILE CB C 13 39.202 0.1 . 1 . . . . . . . . 5844 1 215 . 1 1 17 17 ILE CG1 C 13 27.425 0.1 . 1 . . . . . . . . 5844 1 216 . 1 1 17 17 ILE CG2 C 13 18.505 0.1 . 1 . . . . . . . . 5844 1 217 . 1 1 17 17 ILE CD1 C 13 13.630 0.1 . 1 . . . . . . . . 5844 1 218 . 1 1 17 17 ILE N N 15 131.726 0.1 . 1 . . . . . . . . 5844 1 219 . 1 1 18 18 THR H H 1 9.005 0.02 . 1 . . . . . . . . 5844 1 220 . 1 1 18 18 THR HA H 1 4.707 0.02 . 1 . . . . . . . . 5844 1 221 . 1 1 18 18 THR HB H 1 4.056 0.02 . 1 . . . . . . . . 5844 1 222 . 1 1 18 18 THR HG21 H 1 1.303 0.02 . 1 . . . . . . . . 5844 1 223 . 1 1 18 18 THR HG22 H 1 1.303 0.02 . 1 . . . . . . . . 5844 1 224 . 1 1 18 18 THR HG23 H 1 1.303 0.02 . 1 . . . . . . . . 5844 1 225 . 1 1 18 18 THR C C 13 174.158 0.1 . 1 . . . . . . . . 5844 1 226 . 1 1 18 18 THR CA C 13 63.777 0.1 . 1 . . . . . . . . 5844 1 227 . 1 1 18 18 THR CB C 13 68.945 0.1 . 1 . . . . . . . . 5844 1 228 . 1 1 18 18 THR CG2 C 13 21.426 0.1 . 1 . . . . . . . . 5844 1 229 . 1 1 18 18 THR N N 15 124.752 0.1 . 1 . . . . . . . . 5844 1 230 . 1 1 19 19 LEU H H 1 9.640 0.02 . 1 . . . . . . . . 5844 1 231 . 1 1 19 19 LEU HA H 1 5.008 0.02 . 1 . . . . . . . . 5844 1 232 . 1 1 19 19 LEU HB2 H 1 1.870 0.02 . 2 . . . . . . . . 5844 1 233 . 1 1 19 19 LEU HB3 H 1 1.622 0.02 . 2 . . . . . . . . 5844 1 234 . 1 1 19 19 LEU HG H 1 1.816 0.02 . 1 . . . . . . . . 5844 1 235 . 1 1 19 19 LEU HD11 H 1 0.871 0.02 . 1 . . . . . . . . 5844 1 236 . 1 1 19 19 LEU HD12 H 1 0.871 0.02 . 1 . . . . . . . . 5844 1 237 . 1 1 19 19 LEU HD13 H 1 0.871 0.02 . 1 . . . . . . . . 5844 1 238 . 1 1 19 19 LEU HD21 H 1 0.339 0.02 . 1 . . . . . . . . 5844 1 239 . 1 1 19 19 LEU HD22 H 1 0.339 0.02 . 1 . . . . . . . . 5844 1 240 . 1 1 19 19 LEU HD23 H 1 0.339 0.02 . 1 . . . . . . . . 5844 1 241 . 1 1 19 19 LEU C C 13 177.145 0.1 . 1 . . . . . . . . 5844 1 242 . 1 1 19 19 LEU CA C 13 53.302 0.1 . 1 . . . . . . . . 5844 1 243 . 1 1 19 19 LEU CB C 13 45.236 0.1 . 1 . . . . . . . . 5844 1 244 . 1 1 19 19 LEU CG C 13 27.274 0.1 . 1 . . . . . . . . 5844 1 245 . 1 1 19 19 LEU CD1 C 13 25.636 0.1 . 1 . . . . . . . . 5844 1 246 . 1 1 19 19 LEU CD2 C 13 23.644 0.1 . 1 . . . . . . . . 5844 1 247 . 1 1 19 19 LEU N N 15 128.781 0.1 . 1 . . . . . . . . 5844 1 248 . 1 1 20 20 SER H H 1 8.121 0.02 . 1 . . . . . . . . 5844 1 249 . 1 1 20 20 SER HA H 1 4.033 0.02 . 1 . . . . . . . . 5844 1 250 . 1 1 20 20 SER HB2 H 1 4.268 0.02 . 2 . . . . . . . . 5844 1 251 . 1 1 20 20 SER HB3 H 1 3.584 0.02 . 2 . . . . . . . . 5844 1 252 . 1 1 20 20 SER C C 13 173.483 0.1 . 1 . . . . . . . . 5844 1 253 . 1 1 20 20 SER CA C 13 59.557 0.1 . 1 . . . . . . . . 5844 1 254 . 1 1 20 20 SER CB C 13 63.159 0.1 . 1 . . . . . . . . 5844 1 255 . 1 1 20 20 SER N N 15 110.268 0.1 . 1 . . . . . . . . 5844 1 256 . 1 1 21 21 GLU H H 1 6.961 0.02 . 1 . . . . . . . . 5844 1 257 . 1 1 21 21 GLU HA H 1 4.734 0.02 . 1 . . . . . . . . 5844 1 258 . 1 1 21 21 GLU HB2 H 1 1.735 0.02 . 2 . . . . . . . . 5844 1 259 . 1 1 21 21 GLU HB3 H 1 2.082 0.02 . 2 . . . . . . . . 5844 1 260 . 1 1 21 21 GLU HG2 H 1 2.227 0.02 . 2 . . . . . . . . 5844 1 261 . 1 1 21 21 GLU HG3 H 1 2.265 0.02 . 2 . . . . . . . . 5844 1 262 . 1 1 21 21 GLU C C 13 174.805 0.1 . 1 . . . . . . . . 5844 1 263 . 1 1 21 21 GLU CA C 13 54.655 0.1 . 1 . . . . . . . . 5844 1 264 . 1 1 21 21 GLU CB C 13 33.366 0.1 . 1 . . . . . . . . 5844 1 265 . 1 1 21 21 GLU CG C 13 36.076 0.1 . 1 . . . . . . . . 5844 1 266 . 1 1 21 21 GLU N N 15 118.393 0.1 . 1 . . . . . . . . 5844 1 267 . 1 1 22 22 SER H H 1 8.623 0.02 . 1 . . . . . . . . 5844 1 268 . 1 1 22 22 SER HA H 1 4.670 0.02 . 1 . . . . . . . . 5844 1 269 . 1 1 22 22 SER HB2 H 1 3.678 0.02 . 2 . . . . . . . . 5844 1 270 . 1 1 22 22 SER HB3 H 1 3.679 0.02 . 2 . . . . . . . . 5844 1 271 . 1 1 22 22 SER C C 13 175.260 0.1 . 1 . . . . . . . . 5844 1 272 . 1 1 22 22 SER CA C 13 57.137 0.1 . 1 . . . . . . . . 5844 1 273 . 1 1 22 22 SER CB C 13 65.168 0.1 . 1 . . . . . . . . 5844 1 274 . 1 1 22 22 SER N N 15 115.935 0.1 . 1 . . . . . . . . 5844 1 275 . 1 1 23 23 ARG H H 1 8.191 0.02 . 1 . . . . . . . . 5844 1 276 . 1 1 23 23 ARG HA H 1 4.188 0.02 . 1 . . . . . . . . 5844 1 277 . 1 1 23 23 ARG HB2 H 1 1.625 0.02 . 2 . . . . . . . . 5844 1 278 . 1 1 23 23 ARG HB3 H 1 1.804 0.02 . 2 . . . . . . . . 5844 1 279 . 1 1 23 23 ARG HG2 H 1 1.535 0.02 . 2 . . . . . . . . 5844 1 280 . 1 1 23 23 ARG HG3 H 1 1.282 0.02 . 2 . . . . . . . . 5844 1 281 . 1 1 23 23 ARG HD2 H 1 2.422 0.02 . 2 . . . . . . . . 5844 1 282 . 1 1 23 23 ARG HD3 H 1 2.421 0.02 . 2 . . . . . . . . 5844 1 283 . 1 1 23 23 ARG C C 13 176.502 0.1 . 1 . . . . . . . . 5844 1 284 . 1 1 23 23 ARG CA C 13 56.683 0.1 . 1 . . . . . . . . 5844 1 285 . 1 1 23 23 ARG CB C 13 31.369 0.1 . 1 . . . . . . . . 5844 1 286 . 1 1 23 23 ARG CG C 13 27.264 0.1 . 1 . . . . . . . . 5844 1 287 . 1 1 23 23 ARG CD C 13 41.989 0.1 . 1 . . . . . . . . 5844 1 288 . 1 1 23 23 ARG N N 15 123.783 0.1 . 1 . . . . . . . . 5844 1 289 . 1 1 24 24 GLU H H 1 8.661 0.02 . 1 . . . . . . . . 5844 1 290 . 1 1 24 24 GLU HA H 1 4.203 0.02 . 1 . . . . . . . . 5844 1 291 . 1 1 24 24 GLU HB2 H 1 2.084 0.02 . 2 . . . . . . . . 5844 1 292 . 1 1 24 24 GLU HB3 H 1 1.987 0.02 . 2 . . . . . . . . 5844 1 293 . 1 1 24 24 GLU HG2 H 1 2.269 0.02 . 1 . . . . . . . . 5844 1 294 . 1 1 24 24 GLU HG3 H 1 2.269 0.02 . 1 . . . . . . . . 5844 1 295 . 1 1 24 24 GLU C C 13 177.273 0.1 . 1 . . . . . . . . 5844 1 296 . 1 1 24 24 GLU CA C 13 56.863 0.1 . 1 . . . . . . . . 5844 1 297 . 1 1 24 24 GLU CB C 13 29.913 0.1 . 1 . . . . . . . . 5844 1 298 . 1 1 24 24 GLU CG C 13 36.206 0.1 . 1 . . . . . . . . 5844 1 299 . 1 1 24 24 GLU N N 15 122.151 0.1 . 1 . . . . . . . . 5844 1 300 . 1 1 25 25 GLY H H 1 8.463 0.02 . 1 . . . . . . . . 5844 1 301 . 1 1 25 25 GLY HA2 H 1 3.981 0.02 . 2 . . . . . . . . 5844 1 302 . 1 1 25 25 GLY HA3 H 1 3.989 0.02 . 2 . . . . . . . . 5844 1 303 . 1 1 25 25 GLY C C 13 174.562 0.1 . 1 . . . . . . . . 5844 1 304 . 1 1 25 25 GLY CA C 13 45.348 0.1 . 1 . . . . . . . . 5844 1 305 . 1 1 25 25 GLY N N 15 111.861 0.1 . 1 . . . . . . . . 5844 1 306 . 1 1 26 26 MET H H 1 8.661 0.02 . 1 . . . . . . . . 5844 1 307 . 1 1 26 26 MET HA H 1 4.681 0.02 . 1 . . . . . . . . 5844 1 308 . 1 1 26 26 MET HB2 H 1 2.272 0.02 . 2 . . . . . . . . 5844 1 309 . 1 1 26 26 MET HB3 H 1 1.913 0.02 . 2 . . . . . . . . 5844 1 310 . 1 1 26 26 MET HG2 H 1 2.646 0.02 . 2 . . . . . . . . 5844 1 311 . 1 1 26 26 MET HG3 H 1 2.621 0.02 . 2 . . . . . . . . 5844 1 312 . 1 1 26 26 MET HE1 H 1 1.723 0.02 . 1 . . . . . . . . 5844 1 313 . 1 1 26 26 MET HE2 H 1 1.723 0.02 . 1 . . . . . . . . 5844 1 314 . 1 1 26 26 MET HE3 H 1 1.723 0.02 . 1 . . . . . . . . 5844 1 315 . 1 1 26 26 MET C C 13 176.411 0.1 . 1 . . . . . . . . 5844 1 316 . 1 1 26 26 MET CA C 13 54.635 0.1 . 1 . . . . . . . . 5844 1 317 . 1 1 26 26 MET CB C 13 32.103 0.1 . 1 . . . . . . . . 5844 1 318 . 1 1 26 26 MET CG C 13 32.262 0.1 . 1 . . . . . . . . 5844 1 319 . 1 1 26 26 MET CE C 13 17.385 0.1 . 1 . . . . . . . . 5844 1 320 . 1 1 26 26 MET N N 15 118.985 0.1 . 1 . . . . . . . . 5844 1 321 . 1 1 27 27 THR H H 1 7.601 0.02 . 1 . . . . . . . . 5844 1 322 . 1 1 27 27 THR HA H 1 4.276 0.02 . 1 . . . . . . . . 5844 1 323 . 1 1 27 27 THR HB H 1 4.234 0.02 . 1 . . . . . . . . 5844 1 324 . 1 1 27 27 THR HG21 H 1 1.233 0.02 . 1 . . . . . . . . 5844 1 325 . 1 1 27 27 THR HG22 H 1 1.233 0.02 . 1 . . . . . . . . 5844 1 326 . 1 1 27 27 THR HG23 H 1 1.233 0.02 . 1 . . . . . . . . 5844 1 327 . 1 1 27 27 THR C C 13 173.646 0.1 . 1 . . . . . . . . 5844 1 328 . 1 1 27 27 THR CA C 13 62.137 0.1 . 1 . . . . . . . . 5844 1 329 . 1 1 27 27 THR CB C 13 70.256 0.1 . 1 . . . . . . . . 5844 1 330 . 1 1 27 27 THR CG2 C 13 21.838 0.1 . 1 . . . . . . . . 5844 1 331 . 1 1 27 27 THR N N 15 112.356 0.1 . 1 . . . . . . . . 5844 1 332 . 1 1 28 28 SER H H 1 8.370 0.02 . 1 . . . . . . . . 5844 1 333 . 1 1 28 28 SER HA H 1 4.937 0.02 . 1 . . . . . . . . 5844 1 334 . 1 1 28 28 SER HB2 H 1 3.473 0.02 . 2 . . . . . . . . 5844 1 335 . 1 1 28 28 SER HB3 H 1 3.530 0.02 . 2 . . . . . . . . 5844 1 336 . 1 1 28 28 SER C C 13 172.911 0.1 . 1 . . . . . . . . 5844 1 337 . 1 1 28 28 SER CA C 13 56.309 0.1 . 1 . . . . . . . . 5844 1 338 . 1 1 28 28 SER CB C 13 67.031 0.1 . 1 . . . . . . . . 5844 1 339 . 1 1 28 28 SER N N 15 116.874 0.1 . 1 . . . . . . . . 5844 1 340 . 1 1 29 29 ASP H H 1 7.885 0.02 . 1 . . . . . . . . 5844 1 341 . 1 1 29 29 ASP HA H 1 4.823 0.02 . 1 . . . . . . . . 5844 1 342 . 1 1 29 29 ASP HB2 H 1 1.969 0.02 . 2 . . . . . . . . 5844 1 343 . 1 1 29 29 ASP HB3 H 1 1.723 0.02 . 2 . . . . . . . . 5844 1 344 . 1 1 29 29 ASP C C 13 173.762 0.1 . 1 . . . . . . . . 5844 1 345 . 1 1 29 29 ASP CA C 13 54.208 0.1 . 1 . . . . . . . . 5844 1 346 . 1 1 29 29 ASP CB C 13 47.234 0.1 . 1 . . . . . . . . 5844 1 347 . 1 1 29 29 ASP N N 15 117.074 0.1 . 1 . . . . . . . . 5844 1 348 . 1 1 30 30 THR H H 1 8.189 0.02 . 1 . . . . . . . . 5844 1 349 . 1 1 30 30 THR HA H 1 5.123 0.02 . 1 . . . . . . . . 5844 1 350 . 1 1 30 30 THR HB H 1 3.917 0.02 . 1 . . . . . . . . 5844 1 351 . 1 1 30 30 THR HG21 H 1 1.145 0.02 . 1 . . . . . . . . 5844 1 352 . 1 1 30 30 THR HG22 H 1 1.145 0.02 . 1 . . . . . . . . 5844 1 353 . 1 1 30 30 THR HG23 H 1 1.145 0.02 . 1 . . . . . . . . 5844 1 354 . 1 1 30 30 THR C C 13 173.612 0.1 . 1 . . . . . . . . 5844 1 355 . 1 1 30 30 THR CA C 13 61.941 0.1 . 1 . . . . . . . . 5844 1 356 . 1 1 30 30 THR CB C 13 70.143 0.1 . 1 . . . . . . . . 5844 1 357 . 1 1 30 30 THR CG2 C 13 21.130 0.1 . 1 . . . . . . . . 5844 1 358 . 1 1 30 30 THR N N 15 115.249 0.1 . 1 . . . . . . . . 5844 1 359 . 1 1 31 31 TYR H H 1 9.791 0.02 . 1 . . . . . . . . 5844 1 360 . 1 1 31 31 TYR HA H 1 5.153 0.02 . 1 . . . . . . . . 5844 1 361 . 1 1 31 31 TYR HB2 H 1 2.881 0.02 . 2 . . . . . . . . 5844 1 362 . 1 1 31 31 TYR HB3 H 1 2.635 0.02 . 2 . . . . . . . . 5844 1 363 . 1 1 31 31 TYR HD1 H 1 6.928 0.02 . 1 . . . . . . . . 5844 1 364 . 1 1 31 31 TYR HE1 H 1 6.727 0.02 . 1 . . . . . . . . 5844 1 365 . 1 1 31 31 TYR HD2 H 1 6.928 0.02 . 1 . . . . . . . . 5844 1 366 . 1 1 31 31 TYR HE2 H 1 6.727 0.02 . 1 . . . . . . . . 5844 1 367 . 1 1 31 31 TYR C C 13 175.531 0.1 . 1 . . . . . . . . 5844 1 368 . 1 1 31 31 TYR CA C 13 55.813 0.1 . 1 . . . . . . . . 5844 1 369 . 1 1 31 31 TYR CB C 13 41.157 0.1 . 1 . . . . . . . . 5844 1 370 . 1 1 31 31 TYR CD1 C 13 133.633 0.1 . 1 . . . . . . . . 5844 1 371 . 1 1 31 31 TYR CE1 C 13 117.584 0.1 . 1 . . . . . . . . 5844 1 372 . 1 1 31 31 TYR CD2 C 13 133.633 0.1 . 1 . . . . . . . . 5844 1 373 . 1 1 31 31 TYR CE2 C 13 117.584 0.1 . 1 . . . . . . . . 5844 1 374 . 1 1 31 31 TYR N N 15 127.894 0.1 . 1 . . . . . . . . 5844 1 375 . 1 1 32 32 THR H H 1 9.143 0.02 . 1 . . . . . . . . 5844 1 376 . 1 1 32 32 THR HA H 1 4.593 0.02 . 1 . . . . . . . . 5844 1 377 . 1 1 32 32 THR HB H 1 4.460 0.02 . 1 . . . . . . . . 5844 1 378 . 1 1 32 32 THR HG21 H 1 1.179 0.02 . 1 . . . . . . . . 5844 1 379 . 1 1 32 32 THR HG22 H 1 1.179 0.02 . 1 . . . . . . . . 5844 1 380 . 1 1 32 32 THR HG23 H 1 1.179 0.02 . 1 . . . . . . . . 5844 1 381 . 1 1 32 32 THR C C 13 173.565 0.1 . 1 . . . . . . . . 5844 1 382 . 1 1 32 32 THR CA C 13 61.611 0.1 . 1 . . . . . . . . 5844 1 383 . 1 1 32 32 THR CB C 13 71.109 0.1 . 1 . . . . . . . . 5844 1 384 . 1 1 32 32 THR CG2 C 13 22.032 0.1 . 1 . . . . . . . . 5844 1 385 . 1 1 32 32 THR N N 15 111.101 0.1 . 1 . . . . . . . . 5844 1 386 . 1 1 33 33 LYS H H 1 8.351 0.02 . 1 . . . . . . . . 5844 1 387 . 1 1 33 33 LYS HA H 1 4.717 0.02 . 1 . . . . . . . . 5844 1 388 . 1 1 33 33 LYS HB2 H 1 1.657 0.02 . 2 . . . . . . . . 5844 1 389 . 1 1 33 33 LYS HB3 H 1 1.337 0.02 . 2 . . . . . . . . 5844 1 390 . 1 1 33 33 LYS HG2 H 1 1.514 0.02 . 2 . . . . . . . . 5844 1 391 . 1 1 33 33 LYS HD2 H 1 1.677 0.02 . 2 . . . . . . . . 5844 1 392 . 1 1 33 33 LYS HD3 H 1 1.775 0.02 . 2 . . . . . . . . 5844 1 393 . 1 1 33 33 LYS HE2 H 1 2.966 0.02 . 2 . . . . . . . . 5844 1 394 . 1 1 33 33 LYS C C 13 174.595 0.1 . 1 . . . . . . . . 5844 1 395 . 1 1 33 33 LYS CA C 13 54.424 0.1 . 1 . . . . . . . . 5844 1 396 . 1 1 33 33 LYS CB C 13 35.335 0.1 . 1 . . . . . . . . 5844 1 397 . 1 1 33 33 LYS CG C 13 23.313 0.1 . 1 . . . . . . . . 5844 1 398 . 1 1 33 33 LYS CD C 13 29.126 0.1 . 1 . . . . . . . . 5844 1 399 . 1 1 33 33 LYS CE C 13 42.253 0.1 . 1 . . . . . . . . 5844 1 400 . 1 1 33 33 LYS N N 15 122.475 0.1 . 1 . . . . . . . . 5844 1 401 . 1 1 34 34 VAL H H 1 8.480 0.02 . 1 . . . . . . . . 5844 1 402 . 1 1 34 34 VAL HA H 1 3.618 0.02 . 1 . . . . . . . . 5844 1 403 . 1 1 34 34 VAL HB H 1 1.799 0.02 . 1 . . . . . . . . 5844 1 404 . 1 1 34 34 VAL HG11 H 1 0.714 0.02 . 1 . . . . . . . . 5844 1 405 . 1 1 34 34 VAL HG12 H 1 0.714 0.02 . 1 . . . . . . . . 5844 1 406 . 1 1 34 34 VAL HG13 H 1 0.714 0.02 . 1 . . . . . . . . 5844 1 407 . 1 1 34 34 VAL HG21 H 1 0.914 0.02 . 1 . . . . . . . . 5844 1 408 . 1 1 34 34 VAL HG22 H 1 0.914 0.02 . 1 . . . . . . . . 5844 1 409 . 1 1 34 34 VAL HG23 H 1 0.914 0.02 . 1 . . . . . . . . 5844 1 410 . 1 1 34 34 VAL C C 13 175.796 0.1 . 1 . . . . . . . . 5844 1 411 . 1 1 34 34 VAL CA C 13 63.644 0.1 . 1 . . . . . . . . 5844 1 412 . 1 1 34 34 VAL CB C 13 31.891 0.1 . 1 . . . . . . . . 5844 1 413 . 1 1 34 34 VAL CG1 C 13 21.249 0.1 . 1 . . . . . . . . 5844 1 414 . 1 1 34 34 VAL CG2 C 13 22.395 0.1 . 1 . . . . . . . . 5844 1 415 . 1 1 34 34 VAL N N 15 122.663 0.1 . 1 . . . . . . . . 5844 1 416 . 1 1 35 35 ASP H H 1 7.714 0.02 . 1 . . . . . . . . 5844 1 417 . 1 1 35 35 ASP HA H 1 4.705 0.02 . 1 . . . . . . . . 5844 1 418 . 1 1 35 35 ASP HB2 H 1 2.535 0.02 . 2 . . . . . . . . 5844 1 419 . 1 1 35 35 ASP HB3 H 1 2.194 0.02 . 2 . . . . . . . . 5844 1 420 . 1 1 35 35 ASP C C 13 176.718 0.1 . 1 . . . . . . . . 5844 1 421 . 1 1 35 35 ASP CA C 13 54.310 0.1 . 1 . . . . . . . . 5844 1 422 . 1 1 35 35 ASP CB C 13 46.385 0.1 . 1 . . . . . . . . 5844 1 423 . 1 1 35 35 ASP N N 15 125.352 0.1 . 1 . . . . . . . . 5844 1 424 . 1 1 36 36 ASP H H 1 9.090 0.02 . 1 . . . . . . . . 5844 1 425 . 1 1 36 36 ASP HA H 1 4.341 0.02 . 1 . . . . . . . . 5844 1 426 . 1 1 36 36 ASP HB2 H 1 2.686 0.02 . 2 . . . . . . . . 5844 1 427 . 1 1 36 36 ASP HB3 H 1 2.684 0.02 . 2 . . . . . . . . 5844 1 428 . 1 1 36 36 ASP C C 13 176.050 0.1 . 1 . . . . . . . . 5844 1 429 . 1 1 36 36 ASP CA C 13 57.092 0.1 . 1 . . . . . . . . 5844 1 430 . 1 1 36 36 ASP CB C 13 40.630 0.1 . 1 . . . . . . . . 5844 1 431 . 1 1 36 36 ASP N N 15 128.363 0.1 . 1 . . . . . . . . 5844 1 432 . 1 1 37 37 SER H H 1 8.950 0.02 . 1 . . . . . . . . 5844 1 433 . 1 1 37 37 SER HA H 1 4.370 0.02 . 1 . . . . . . . . 5844 1 434 . 1 1 37 37 SER HB2 H 1 3.945 0.02 . 2 . . . . . . . . 5844 1 435 . 1 1 37 37 SER HB3 H 1 4.008 0.02 . 2 . . . . . . . . 5844 1 436 . 1 1 37 37 SER C C 13 174.959 0.1 . 1 . . . . . . . . 5844 1 437 . 1 1 37 37 SER CA C 13 59.738 0.1 . 1 . . . . . . . . 5844 1 438 . 1 1 37 37 SER CB C 13 63.838 0.1 . 1 . . . . . . . . 5844 1 439 . 1 1 37 37 SER N N 15 114.863 0.1 . 1 . . . . . . . . 5844 1 440 . 1 1 38 38 GLN H H 1 7.631 0.02 . 1 . . . . . . . . 5844 1 441 . 1 1 38 38 GLN HA H 1 4.519 0.02 . 1 . . . . . . . . 5844 1 442 . 1 1 38 38 GLN HB2 H 1 2.012 0.02 . 2 . . . . . . . . 5844 1 443 . 1 1 38 38 GLN HB3 H 1 1.311 0.02 . 2 . . . . . . . . 5844 1 444 . 1 1 38 38 GLN HG2 H 1 2.390 0.02 . 2 . . . . . . . . 5844 1 445 . 1 1 38 38 GLN HG3 H 1 2.398 0.02 . 2 . . . . . . . . 5844 1 446 . 1 1 38 38 GLN HE21 H 1 7.284 0.02 . 1 . . . . . . . . 5844 1 447 . 1 1 38 38 GLN HE22 H 1 8.204 0.02 . 1 . . . . . . . . 5844 1 448 . 1 1 38 38 GLN CA C 13 53.582 0.1 . 1 . . . . . . . . 5844 1 449 . 1 1 38 38 GLN CB C 13 26.372 0.1 . 1 . . . . . . . . 5844 1 450 . 1 1 38 38 GLN CG C 13 35.863 0.1 . 1 . . . . . . . . 5844 1 451 . 1 1 38 38 GLN N N 15 121.850 0.1 . 1 . . . . . . . . 5844 1 452 . 1 1 38 38 GLN NE2 N 15 112.222 0.1 . 1 . . . . . . . . 5844 1 453 . 1 1 39 39 PRO HA H 1 4.310 0.02 . 1 . . . . . . . . 5844 1 454 . 1 1 39 39 PRO HB2 H 1 2.474 0.02 . 2 . . . . . . . . 5844 1 455 . 1 1 39 39 PRO HB3 H 1 1.134 0.02 . 2 . . . . . . . . 5844 1 456 . 1 1 39 39 PRO HG2 H 1 2.051 0.02 . 2 . . . . . . . . 5844 1 457 . 1 1 39 39 PRO HG3 H 1 1.956 0.02 . 2 . . . . . . . . 5844 1 458 . 1 1 39 39 PRO HD2 H 1 3.895 0.02 . 2 . . . . . . . . 5844 1 459 . 1 1 39 39 PRO HD3 H 1 2.667 0.02 . 2 . . . . . . . . 5844 1 460 . 1 1 39 39 PRO C C 13 177.152 0.1 . 1 . . . . . . . . 5844 1 461 . 1 1 39 39 PRO CA C 13 62.492 0.1 . 1 . . . . . . . . 5844 1 462 . 1 1 39 39 PRO CB C 13 32.913 0.1 . 1 . . . . . . . . 5844 1 463 . 1 1 39 39 PRO CG C 13 27.862 0.1 . 1 . . . . . . . . 5844 1 464 . 1 1 39 39 PRO CD C 13 50.001 0.1 . 1 . . . . . . . . 5844 1 465 . 1 1 40 40 ALA H H 1 8.729 0.02 . 1 . . . . . . . . 5844 1 466 . 1 1 40 40 ALA HA H 1 3.972 0.02 . 1 . . . . . . . . 5844 1 467 . 1 1 40 40 ALA HB1 H 1 1.426 0.02 . 1 . . . . . . . . 5844 1 468 . 1 1 40 40 ALA HB2 H 1 1.426 0.02 . 1 . . . . . . . . 5844 1 469 . 1 1 40 40 ALA HB3 H 1 1.426 0.02 . 1 . . . . . . . . 5844 1 470 . 1 1 40 40 ALA C C 13 179.843 0.1 . 1 . . . . . . . . 5844 1 471 . 1 1 40 40 ALA CA C 13 56.013 0.1 . 1 . . . . . . . . 5844 1 472 . 1 1 40 40 ALA CB C 13 17.680 0.1 . 1 . . . . . . . . 5844 1 473 . 1 1 40 40 ALA N N 15 127.083 0.1 . 1 . . . . . . . . 5844 1 474 . 1 1 41 41 PHE H H 1 8.059 0.02 . 1 . . . . . . . . 5844 1 475 . 1 1 41 41 PHE HA H 1 4.129 0.02 . 1 . . . . . . . . 5844 1 476 . 1 1 41 41 PHE HB2 H 1 2.491 0.02 . 2 . . . . . . . . 5844 1 477 . 1 1 41 41 PHE HB3 H 1 2.847 0.02 . 2 . . . . . . . . 5844 1 478 . 1 1 41 41 PHE HD1 H 1 7.092 0.02 . 1 . . . . . . . . 5844 1 479 . 1 1 41 41 PHE HD2 H 1 7.092 0.02 . 1 . . . . . . . . 5844 1 480 . 1 1 41 41 PHE HE1 H 1 6.749 0.02 . 1 . . . . . . . . 5844 1 481 . 1 1 41 41 PHE HE2 H 1 6.749 0.02 . 1 . . . . . . . . 5844 1 482 . 1 1 41 41 PHE HZ H 1 7.108 0.02 . 1 . . . . . . . . 5844 1 483 . 1 1 41 41 PHE C C 13 175.662 0.1 . 1 . . . . . . . . 5844 1 484 . 1 1 41 41 PHE CA C 13 59.819 0.1 . 1 . . . . . . . . 5844 1 485 . 1 1 41 41 PHE CB C 13 36.834 0.1 . 1 . . . . . . . . 5844 1 486 . 1 1 41 41 PHE CD1 C 13 132.191 0.1 . 1 . . . . . . . . 5844 1 487 . 1 1 41 41 PHE CD2 C 13 132.191 0.1 . 1 . . . . . . . . 5844 1 488 . 1 1 41 41 PHE CE1 C 13 128.727 0.1 . 1 . . . . . . . . 5844 1 489 . 1 1 41 41 PHE CE2 C 13 128.727 0.1 . 1 . . . . . . . . 5844 1 490 . 1 1 41 41 PHE CZ C 13 131.398 0.1 . 1 . . . . . . . . 5844 1 491 . 1 1 41 41 PHE N N 15 112.471 0.1 . 1 . . . . . . . . 5844 1 492 . 1 1 42 42 ILE H H 1 5.614 0.02 . 1 . . . . . . . . 5844 1 493 . 1 1 42 42 ILE HA H 1 3.098 0.02 . 1 . . . . . . . . 5844 1 494 . 1 1 42 42 ILE HB H 1 1.563 0.02 . 1 . . . . . . . . 5844 1 495 . 1 1 42 42 ILE HG12 H 1 0.310 0.02 . 2 . . . . . . . . 5844 1 496 . 1 1 42 42 ILE HG13 H 1 -0.078 0.02 . 2 . . . . . . . . 5844 1 497 . 1 1 42 42 ILE HG21 H 1 -0.131 0.02 . 1 . . . . . . . . 5844 1 498 . 1 1 42 42 ILE HG22 H 1 -0.131 0.02 . 1 . . . . . . . . 5844 1 499 . 1 1 42 42 ILE HG23 H 1 -0.131 0.02 . 1 . . . . . . . . 5844 1 500 . 1 1 42 42 ILE HD11 H 1 0.166 0.02 . 1 . . . . . . . . 5844 1 501 . 1 1 42 42 ILE HD12 H 1 0.166 0.02 . 1 . . . . . . . . 5844 1 502 . 1 1 42 42 ILE HD13 H 1 0.166 0.02 . 1 . . . . . . . . 5844 1 503 . 1 1 42 42 ILE C C 13 177.110 0.1 . 1 . . . . . . . . 5844 1 504 . 1 1 42 42 ILE CA C 13 59.822 0.1 . 1 . . . . . . . . 5844 1 505 . 1 1 42 42 ILE CB C 13 34.539 0.1 . 1 . . . . . . . . 5844 1 506 . 1 1 42 42 ILE CG1 C 13 24.886 0.1 . 1 . . . . . . . . 5844 1 507 . 1 1 42 42 ILE CG2 C 13 16.343 0.1 . 1 . . . . . . . . 5844 1 508 . 1 1 42 42 ILE CD1 C 13 9.941 0.1 . 1 . . . . . . . . 5844 1 509 . 1 1 42 42 ILE N N 15 120.594 0.1 . 1 . . . . . . . . 5844 1 510 . 1 1 43 43 ASN H H 1 7.082 0.02 . 1 . . . . . . . . 5844 1 511 . 1 1 43 43 ASN HA H 1 4.223 0.02 . 1 . . . . . . . . 5844 1 512 . 1 1 43 43 ASN HB2 H 1 2.484 0.02 . 2 . . . . . . . . 5844 1 513 . 1 1 43 43 ASN HB3 H 1 2.761 0.02 . 2 . . . . . . . . 5844 1 514 . 1 1 43 43 ASN HD21 H 1 7.386 0.02 . 1 . . . . . . . . 5844 1 515 . 1 1 43 43 ASN HD22 H 1 6.898 0.02 . 1 . . . . . . . . 5844 1 516 . 1 1 43 43 ASN C C 13 176.972 0.1 . 1 . . . . . . . . 5844 1 517 . 1 1 43 43 ASN CA C 13 55.562 0.1 . 1 . . . . . . . . 5844 1 518 . 1 1 43 43 ASN CB C 13 37.808 0.1 . 1 . . . . . . . . 5844 1 519 . 1 1 43 43 ASN N N 15 117.481 0.1 . 1 . . . . . . . . 5844 1 520 . 1 1 43 43 ASN ND2 N 15 114.020 0.1 . 1 . . . . . . . . 5844 1 521 . 1 1 44 44 ASP H H 1 8.379 0.02 . 1 . . . . . . . . 5844 1 522 . 1 1 44 44 ASP HA H 1 4.247 0.02 . 1 . . . . . . . . 5844 1 523 . 1 1 44 44 ASP HB2 H 1 2.500 0.02 . 2 . . . . . . . . 5844 1 524 . 1 1 44 44 ASP HB3 H 1 2.567 0.02 . 2 . . . . . . . . 5844 1 525 . 1 1 44 44 ASP C C 13 179.368 0.1 . 1 . . . . . . . . 5844 1 526 . 1 1 44 44 ASP CA C 13 57.538 0.1 . 1 . . . . . . . . 5844 1 527 . 1 1 44 44 ASP CB C 13 40.670 0.1 . 1 . . . . . . . . 5844 1 528 . 1 1 44 44 ASP N N 15 117.588 0.1 . 1 . . . . . . . . 5844 1 529 . 1 1 45 45 ILE H H 1 7.604 0.02 . 1 . . . . . . . . 5844 1 530 . 1 1 45 45 ILE HA H 1 3.687 0.02 . 1 . . . . . . . . 5844 1 531 . 1 1 45 45 ILE HB H 1 1.872 0.02 . 1 . . . . . . . . 5844 1 532 . 1 1 45 45 ILE HG12 H 1 2.358 0.02 . 2 . . . . . . . . 5844 1 533 . 1 1 45 45 ILE HG13 H 1 0.845 0.02 . 2 . . . . . . . . 5844 1 534 . 1 1 45 45 ILE HG21 H 1 0.974 0.02 . 1 . . . . . . . . 5844 1 535 . 1 1 45 45 ILE HG22 H 1 0.974 0.02 . 1 . . . . . . . . 5844 1 536 . 1 1 45 45 ILE HG23 H 1 0.974 0.02 . 1 . . . . . . . . 5844 1 537 . 1 1 45 45 ILE HD11 H 1 0.941 0.02 . 1 . . . . . . . . 5844 1 538 . 1 1 45 45 ILE HD12 H 1 0.941 0.02 . 1 . . . . . . . . 5844 1 539 . 1 1 45 45 ILE HD13 H 1 0.941 0.02 . 1 . . . . . . . . 5844 1 540 . 1 1 45 45 ILE C C 13 177.480 0.1 . 1 . . . . . . . . 5844 1 541 . 1 1 45 45 ILE CA C 13 65.907 0.1 . 1 . . . . . . . . 5844 1 542 . 1 1 45 45 ILE CB C 13 37.886 0.1 . 1 . . . . . . . . 5844 1 543 . 1 1 45 45 ILE CG1 C 13 30.284 0.1 . 1 . . . . . . . . 5844 1 544 . 1 1 45 45 ILE CG2 C 13 19.491 0.1 . 1 . . . . . . . . 5844 1 545 . 1 1 45 45 ILE CD1 C 13 14.733 0.1 . 1 . . . . . . . . 5844 1 546 . 1 1 45 45 ILE N N 15 121.473 0.1 . 1 . . . . . . . . 5844 1 547 . 1 1 46 46 LEU H H 1 7.863 0.02 . 1 . . . . . . . . 5844 1 548 . 1 1 46 46 LEU HA H 1 3.833 0.02 . 1 . . . . . . . . 5844 1 549 . 1 1 46 46 LEU HB2 H 1 1.838 0.02 . 2 . . . . . . . . 5844 1 550 . 1 1 46 46 LEU HB3 H 1 1.215 0.02 . 2 . . . . . . . . 5844 1 551 . 1 1 46 46 LEU HG H 1 1.632 0.02 . 1 . . . . . . . . 5844 1 552 . 1 1 46 46 LEU HD11 H 1 0.454 0.02 . 1 . . . . . . . . 5844 1 553 . 1 1 46 46 LEU HD12 H 1 0.454 0.02 . 1 . . . . . . . . 5844 1 554 . 1 1 46 46 LEU HD13 H 1 0.454 0.02 . 1 . . . . . . . . 5844 1 555 . 1 1 46 46 LEU HD21 H 1 0.550 0.02 . 1 . . . . . . . . 5844 1 556 . 1 1 46 46 LEU HD22 H 1 0.550 0.02 . 1 . . . . . . . . 5844 1 557 . 1 1 46 46 LEU HD23 H 1 0.550 0.02 . 1 . . . . . . . . 5844 1 558 . 1 1 46 46 LEU C C 13 178.165 0.1 . 1 . . . . . . . . 5844 1 559 . 1 1 46 46 LEU CA C 13 57.080 0.1 . 1 . . . . . . . . 5844 1 560 . 1 1 46 46 LEU CB C 13 41.967 0.1 . 1 . . . . . . . . 5844 1 561 . 1 1 46 46 LEU CG C 13 26.699 0.1 . 1 . . . . . . . . 5844 1 562 . 1 1 46 46 LEU CD1 C 13 27.035 0.1 . 1 . . . . . . . . 5844 1 563 . 1 1 46 46 LEU CD2 C 13 22.131 0.1 . 1 . . . . . . . . 5844 1 564 . 1 1 46 46 LEU N N 15 118.055 0.1 . 1 . . . . . . . . 5844 1 565 . 1 1 47 47 LYS H H 1 7.161 0.02 . 1 . . . . . . . . 5844 1 566 . 1 1 47 47 LYS HA H 1 4.044 0.02 . 1 . . . . . . . . 5844 1 567 . 1 1 47 47 LYS HB2 H 1 1.987 0.02 . 2 . . . . . . . . 5844 1 568 . 1 1 47 47 LYS HB3 H 1 1.732 0.02 . 2 . . . . . . . . 5844 1 569 . 1 1 47 47 LYS HG2 H 1 1.725 0.02 . 2 . . . . . . . . 5844 1 570 . 1 1 47 47 LYS HG3 H 1 1.357 0.02 . 2 . . . . . . . . 5844 1 571 . 1 1 47 47 LYS HD2 H 1 1.581 0.02 . 2 . . . . . . . . 5844 1 572 . 1 1 47 47 LYS HD3 H 1 1.709 0.02 . 2 . . . . . . . . 5844 1 573 . 1 1 47 47 LYS HE2 H 1 2.803 0.02 . 2 . . . . . . . . 5844 1 574 . 1 1 47 47 LYS HE3 H 1 2.792 0.02 . 2 . . . . . . . . 5844 1 575 . 1 1 47 47 LYS C C 13 177.017 0.1 . 1 . . . . . . . . 5844 1 576 . 1 1 47 47 LYS CA C 13 57.174 0.1 . 1 . . . . . . . . 5844 1 577 . 1 1 47 47 LYS CB C 13 33.031 0.1 . 1 . . . . . . . . 5844 1 578 . 1 1 47 47 LYS CG C 13 25.683 0.1 . 1 . . . . . . . . 5844 1 579 . 1 1 47 47 LYS CD C 13 29.714 0.1 . 1 . . . . . . . . 5844 1 580 . 1 1 47 47 LYS CE C 13 42.290 0.1 . 1 . . . . . . . . 5844 1 581 . 1 1 47 47 LYS N N 15 116.384 0.1 . 1 . . . . . . . . 5844 1 582 . 1 1 48 48 VAL H H 1 7.791 0.02 . 1 . . . . . . . . 5844 1 583 . 1 1 48 48 VAL HA H 1 3.626 0.02 . 1 . . . . . . . . 5844 1 584 . 1 1 48 48 VAL HB H 1 2.524 0.02 . 1 . . . . . . . . 5844 1 585 . 1 1 48 48 VAL HG11 H 1 1.011 0.02 . 1 . . . . . . . . 5844 1 586 . 1 1 48 48 VAL HG12 H 1 1.011 0.02 . 1 . . . . . . . . 5844 1 587 . 1 1 48 48 VAL HG13 H 1 1.011 0.02 . 1 . . . . . . . . 5844 1 588 . 1 1 48 48 VAL HG21 H 1 0.994 0.02 . 1 . . . . . . . . 5844 1 589 . 1 1 48 48 VAL HG22 H 1 0.994 0.02 . 1 . . . . . . . . 5844 1 590 . 1 1 48 48 VAL HG23 H 1 0.994 0.02 . 1 . . . . . . . . 5844 1 591 . 1 1 48 48 VAL C C 13 176.014 0.1 . 1 . . . . . . . . 5844 1 592 . 1 1 48 48 VAL CA C 13 63.747 0.1 . 1 . . . . . . . . 5844 1 593 . 1 1 48 48 VAL CB C 13 30.987 0.1 . 1 . . . . . . . . 5844 1 594 . 1 1 48 48 VAL CG1 C 13 22.915 0.1 . 1 . . . . . . . . 5844 1 595 . 1 1 48 48 VAL CG2 C 13 22.383 0.1 . 1 . . . . . . . . 5844 1 596 . 1 1 48 48 VAL N N 15 124.655 0.1 . 1 . . . . . . . . 5844 1 597 . 1 1 49 49 GLU H H 1 8.569 0.02 . 1 . . . . . . . . 5844 1 598 . 1 1 49 49 GLU HA H 1 3.941 0.02 . 1 . . . . . . . . 5844 1 599 . 1 1 49 49 GLU HB2 H 1 1.996 0.02 . 2 . . . . . . . . 5844 1 600 . 1 1 49 49 GLU HB3 H 1 1.911 0.02 . 2 . . . . . . . . 5844 1 601 . 1 1 49 49 GLU HG2 H 1 2.253 0.02 . 1 . . . . . . . . 5844 1 602 . 1 1 49 49 GLU HG3 H 1 2.253 0.02 . 1 . . . . . . . . 5844 1 603 . 1 1 49 49 GLU C C 13 176.461 0.1 . 1 . . . . . . . . 5844 1 604 . 1 1 49 49 GLU CA C 13 58.393 0.1 . 1 . . . . . . . . 5844 1 605 . 1 1 49 49 GLU CB C 13 29.169 0.1 . 1 . . . . . . . . 5844 1 606 . 1 1 49 49 GLU CG C 13 36.101 0.1 . 1 . . . . . . . . 5844 1 607 . 1 1 49 49 GLU N N 15 130.358 0.1 . 1 . . . . . . . . 5844 1 608 . 1 1 50 50 GLY H H 1 8.768 0.02 . 1 . . . . . . . . 5844 1 609 . 1 1 50 50 GLY HA2 H 1 4.185 0.02 . 2 . . . . . . . . 5844 1 610 . 1 1 50 50 GLY HA3 H 1 3.384 0.02 . 2 . . . . . . . . 5844 1 611 . 1 1 50 50 GLY C C 13 173.991 0.1 . 1 . . . . . . . . 5844 1 612 . 1 1 50 50 GLY CA C 13 44.705 0.1 . 1 . . . . . . . . 5844 1 613 . 1 1 50 50 GLY N N 15 114.068 0.1 . 1 . . . . . . . . 5844 1 614 . 1 1 51 51 VAL H H 1 7.751 0.02 . 1 . . . . . . . . 5844 1 615 . 1 1 51 51 VAL HA H 1 3.768 0.02 . 1 . . . . . . . . 5844 1 616 . 1 1 51 51 VAL HB H 1 2.306 0.02 . 1 . . . . . . . . 5844 1 617 . 1 1 51 51 VAL HG11 H 1 0.806 0.02 . 1 . . . . . . . . 5844 1 618 . 1 1 51 51 VAL HG12 H 1 0.806 0.02 . 1 . . . . . . . . 5844 1 619 . 1 1 51 51 VAL HG13 H 1 0.806 0.02 . 1 . . . . . . . . 5844 1 620 . 1 1 51 51 VAL HG21 H 1 0.754 0.02 . 1 . . . . . . . . 5844 1 621 . 1 1 51 51 VAL HG22 H 1 0.754 0.02 . 1 . . . . . . . . 5844 1 622 . 1 1 51 51 VAL HG23 H 1 0.754 0.02 . 1 . . . . . . . . 5844 1 623 . 1 1 51 51 VAL C C 13 175.262 0.1 . 1 . . . . . . . . 5844 1 624 . 1 1 51 51 VAL CA C 13 64.610 0.1 . 1 . . . . . . . . 5844 1 625 . 1 1 51 51 VAL CB C 13 31.534 0.1 . 1 . . . . . . . . 5844 1 626 . 1 1 51 51 VAL CG1 C 13 21.719 0.1 . 1 . . . . . . . . 5844 1 627 . 1 1 51 51 VAL CG2 C 13 22.636 0.1 . 1 . . . . . . . . 5844 1 628 . 1 1 51 51 VAL N N 15 120.498 0.1 . 1 . . . . . . . . 5844 1 629 . 1 1 52 52 LYS H H 1 9.379 0.02 . 1 . . . . . . . . 5844 1 630 . 1 1 52 52 LYS HA H 1 4.481 0.02 . 1 . . . . . . . . 5844 1 631 . 1 1 52 52 LYS HB2 H 1 1.512 0.02 . 2 . . . . . . . . 5844 1 632 . 1 1 52 52 LYS HB3 H 1 1.341 0.02 . 2 . . . . . . . . 5844 1 633 . 1 1 52 52 LYS HG2 H 1 1.434 0.02 . 2 . . . . . . . . 5844 1 634 . 1 1 52 52 LYS HG3 H 1 1.238 0.02 . 2 . . . . . . . . 5844 1 635 . 1 1 52 52 LYS HD2 H 1 1.666 0.02 . 2 . . . . . . . . 5844 1 636 . 1 1 52 52 LYS HE2 H 1 2.993 0.02 . 2 . . . . . . . . 5844 1 637 . 1 1 52 52 LYS C C 13 175.385 0.1 . 1 . . . . . . . . 5844 1 638 . 1 1 52 52 LYS CA C 13 57.163 0.1 . 1 . . . . . . . . 5844 1 639 . 1 1 52 52 LYS CB C 13 35.786 0.1 . 1 . . . . . . . . 5844 1 640 . 1 1 52 52 LYS CG C 13 24.515 0.1 . 1 . . . . . . . . 5844 1 641 . 1 1 52 52 LYS CD C 13 29.438 0.1 . 1 . . . . . . . . 5844 1 642 . 1 1 52 52 LYS CE C 13 41.825 0.1 . 1 . . . . . . . . 5844 1 643 . 1 1 52 52 LYS N N 15 129.475 0.1 . 1 . . . . . . . . 5844 1 644 . 1 1 53 53 SER H H 1 7.655 0.02 . 1 . . . . . . . . 5844 1 645 . 1 1 53 53 SER HA H 1 4.903 0.02 . 1 . . . . . . . . 5844 1 646 . 1 1 53 53 SER HB2 H 1 3.881 0.02 . 2 . . . . . . . . 5844 1 647 . 1 1 53 53 SER HB3 H 1 3.767 0.02 . 2 . . . . . . . . 5844 1 648 . 1 1 53 53 SER C C 13 172.396 0.1 . 1 . . . . . . . . 5844 1 649 . 1 1 53 53 SER CA C 13 57.730 0.1 . 1 . . . . . . . . 5844 1 650 . 1 1 53 53 SER CB C 13 64.653 0.1 . 1 . . . . . . . . 5844 1 651 . 1 1 53 53 SER N N 15 108.885 0.1 . 1 . . . . . . . . 5844 1 652 . 1 1 54 54 ILE H H 1 8.783 0.02 . 1 . . . . . . . . 5844 1 653 . 1 1 54 54 ILE HA H 1 5.054 0.02 . 1 . . . . . . . . 5844 1 654 . 1 1 54 54 ILE HB H 1 1.846 0.02 . 1 . . . . . . . . 5844 1 655 . 1 1 54 54 ILE HG12 H 1 1.660 0.02 . 2 . . . . . . . . 5844 1 656 . 1 1 54 54 ILE HG13 H 1 1.062 0.02 . 2 . . . . . . . . 5844 1 657 . 1 1 54 54 ILE HG21 H 1 1.021 0.02 . 1 . . . . . . . . 5844 1 658 . 1 1 54 54 ILE HG22 H 1 1.021 0.02 . 1 . . . . . . . . 5844 1 659 . 1 1 54 54 ILE HG23 H 1 1.021 0.02 . 1 . . . . . . . . 5844 1 660 . 1 1 54 54 ILE HD11 H 1 0.886 0.02 . 1 . . . . . . . . 5844 1 661 . 1 1 54 54 ILE HD12 H 1 0.886 0.02 . 1 . . . . . . . . 5844 1 662 . 1 1 54 54 ILE HD13 H 1 0.886 0.02 . 1 . . . . . . . . 5844 1 663 . 1 1 54 54 ILE C C 13 173.244 0.1 . 1 . . . . . . . . 5844 1 664 . 1 1 54 54 ILE CA C 13 60.602 0.1 . 1 . . . . . . . . 5844 1 665 . 1 1 54 54 ILE CB C 13 44.277 0.1 . 1 . . . . . . . . 5844 1 666 . 1 1 54 54 ILE CG1 C 13 27.818 0.1 . 1 . . . . . . . . 5844 1 667 . 1 1 54 54 ILE CG2 C 13 18.616 0.1 . 1 . . . . . . . . 5844 1 668 . 1 1 54 54 ILE CD1 C 13 18.297 0.1 . 1 . . . . . . . . 5844 1 669 . 1 1 54 54 ILE N N 15 119.458 0.1 . 1 . . . . . . . . 5844 1 670 . 1 1 55 55 PHE H H 1 9.142 0.02 . 1 . . . . . . . . 5844 1 671 . 1 1 55 55 PHE HA H 1 5.598 0.02 . 1 . . . . . . . . 5844 1 672 . 1 1 55 55 PHE HB2 H 1 3.256 0.02 . 2 . . . . . . . . 5844 1 673 . 1 1 55 55 PHE HB3 H 1 3.159 0.02 . 2 . . . . . . . . 5844 1 674 . 1 1 55 55 PHE HD1 H 1 7.333 0.02 . 1 . . . . . . . . 5844 1 675 . 1 1 55 55 PHE HD2 H 1 7.333 0.02 . 1 . . . . . . . . 5844 1 676 . 1 1 55 55 PHE HE1 H 1 7.264 0.02 . 1 . . . . . . . . 5844 1 677 . 1 1 55 55 PHE HE2 H 1 7.264 0.02 . 1 . . . . . . . . 5844 1 678 . 1 1 55 55 PHE HZ H 1 6.775 0.02 . 1 . . . . . . . . 5844 1 679 . 1 1 55 55 PHE C C 13 173.761 0.1 . 1 . . . . . . . . 5844 1 680 . 1 1 55 55 PHE CA C 13 55.938 0.1 . 1 . . . . . . . . 5844 1 681 . 1 1 55 55 PHE CB C 13 41.641 0.1 . 1 . . . . . . . . 5844 1 682 . 1 1 55 55 PHE CD1 C 13 131.916 0.1 . 1 . . . . . . . . 5844 1 683 . 1 1 55 55 PHE CD2 C 13 131.916 0.1 . 1 . . . . . . . . 5844 1 684 . 1 1 55 55 PHE CE1 C 13 131.172 0.1 . 1 . . . . . . . . 5844 1 685 . 1 1 55 55 PHE CE2 C 13 131.172 0.1 . 1 . . . . . . . . 5844 1 686 . 1 1 55 55 PHE CZ C 13 130.724 0.1 . 1 . . . . . . . . 5844 1 687 . 1 1 55 55 PHE N N 15 129.664 0.1 . 1 . . . . . . . . 5844 1 688 . 1 1 56 56 HIS H H 1 8.824 0.02 . 1 . . . . . . . . 5844 1 689 . 1 1 56 56 HIS HA H 1 5.531 0.02 . 1 . . . . . . . . 5844 1 690 . 1 1 56 56 HIS HB2 H 1 3.239 0.02 . 2 . . . . . . . . 5844 1 691 . 1 1 56 56 HIS HB3 H 1 2.670 0.02 . 2 . . . . . . . . 5844 1 692 . 1 1 56 56 HIS HD2 H 1 7.256 0.02 . 1 . . . . . . . . 5844 1 693 . 1 1 56 56 HIS C C 13 172.379 0.1 . 1 . . . . . . . . 5844 1 694 . 1 1 56 56 HIS CA C 13 52.836 0.1 . 1 . . . . . . . . 5844 1 695 . 1 1 56 56 HIS CB C 13 37.218 0.1 . 1 . . . . . . . . 5844 1 696 . 1 1 56 56 HIS CD2 C 13 118.543 0.1 . 1 . . . . . . . . 5844 1 697 . 1 1 56 56 HIS N N 15 129.160 0.1 . 1 . . . . . . . . 5844 1 698 . 1 1 57 57 VAL H H 1 8.072 0.02 . 1 . . . . . . . . 5844 1 699 . 1 1 57 57 VAL HA H 1 3.774 0.02 . 1 . . . . . . . . 5844 1 700 . 1 1 57 57 VAL HB H 1 1.217 0.02 . 1 . . . . . . . . 5844 1 701 . 1 1 57 57 VAL HG11 H 1 0.278 0.02 . 1 . . . . . . . . 5844 1 702 . 1 1 57 57 VAL HG12 H 1 0.278 0.02 . 1 . . . . . . . . 5844 1 703 . 1 1 57 57 VAL HG13 H 1 0.278 0.02 . 1 . . . . . . . . 5844 1 704 . 1 1 57 57 VAL HG21 H 1 0.787 0.02 . 1 . . . . . . . . 5844 1 705 . 1 1 57 57 VAL HG22 H 1 0.787 0.02 . 1 . . . . . . . . 5844 1 706 . 1 1 57 57 VAL HG23 H 1 0.787 0.02 . 1 . . . . . . . . 5844 1 707 . 1 1 57 57 VAL C C 13 169.848 0.1 . 1 . . . . . . . . 5844 1 708 . 1 1 57 57 VAL CA C 13 60.176 0.1 . 1 . . . . . . . . 5844 1 709 . 1 1 57 57 VAL CB C 13 34.140 0.1 . 1 . . . . . . . . 5844 1 710 . 1 1 57 57 VAL CG1 C 13 21.368 0.1 . 1 . . . . . . . . 5844 1 711 . 1 1 57 57 VAL CG2 C 13 22.132 0.1 . 1 . . . . . . . . 5844 1 712 . 1 1 57 57 VAL N N 15 127.671 0.1 . 1 . . . . . . . . 5844 1 713 . 1 1 58 58 MET H H 1 9.140 0.02 . 1 . . . . . . . . 5844 1 714 . 1 1 58 58 MET HA H 1 3.804 0.02 . 1 . . . . . . . . 5844 1 715 . 1 1 58 58 MET HB2 H 1 2.136 0.02 . 2 . . . . . . . . 5844 1 716 . 1 1 58 58 MET HB3 H 1 2.212 0.02 . 2 . . . . . . . . 5844 1 717 . 1 1 58 58 MET HG2 H 1 2.666 0.02 . 2 . . . . . . . . 5844 1 718 . 1 1 58 58 MET HG3 H 1 2.668 0.02 . 2 . . . . . . . . 5844 1 719 . 1 1 58 58 MET C C 13 175.156 0.1 . 1 . . . . . . . . 5844 1 720 . 1 1 58 58 MET CA C 13 57.730 0.1 . 1 . . . . . . . . 5844 1 721 . 1 1 58 58 MET CB C 13 31.555 0.1 . 1 . . . . . . . . 5844 1 722 . 1 1 58 58 MET CG C 13 32.834 0.1 . 1 . . . . . . . . 5844 1 723 . 1 1 58 58 MET N N 15 119.988 0.1 . 1 . . . . . . . . 5844 1 724 . 1 1 59 59 ASP H H 1 8.751 0.02 . 1 . . . . . . . . 5844 1 725 . 1 1 59 59 ASP HA H 1 4.938 0.02 . 1 . . . . . . . . 5844 1 726 . 1 1 59 59 ASP HB2 H 1 2.431 0.02 . 2 . . . . . . . . 5844 1 727 . 1 1 59 59 ASP HB3 H 1 3.354 0.02 . 2 . . . . . . . . 5844 1 728 . 1 1 59 59 ASP C C 13 174.038 0.1 . 1 . . . . . . . . 5844 1 729 . 1 1 59 59 ASP CA C 13 52.397 0.1 . 1 . . . . . . . . 5844 1 730 . 1 1 59 59 ASP CB C 13 39.908 0.1 . 1 . . . . . . . . 5844 1 731 . 1 1 59 59 ASP N N 15 122.637 0.1 . 1 . . . . . . . . 5844 1 732 . 1 1 60 60 PHE H H 1 8.971 0.02 . 1 . . . . . . . . 5844 1 733 . 1 1 60 60 PHE HA H 1 5.885 0.02 . 1 . . . . . . . . 5844 1 734 . 1 1 60 60 PHE HB2 H 1 2.981 0.02 . 2 . . . . . . . . 5844 1 735 . 1 1 60 60 PHE HB3 H 1 2.938 0.02 . 2 . . . . . . . . 5844 1 736 . 1 1 60 60 PHE HD1 H 1 7.217 0.02 . 1 . . . . . . . . 5844 1 737 . 1 1 60 60 PHE HD2 H 1 7.217 0.02 . 1 . . . . . . . . 5844 1 738 . 1 1 60 60 PHE HE1 H 1 7.320 0.02 . 1 . . . . . . . . 5844 1 739 . 1 1 60 60 PHE HE2 H 1 7.320 0.02 . 1 . . . . . . . . 5844 1 740 . 1 1 60 60 PHE HZ H 1 7.181 0.02 . 2 . . . . . . . . 5844 1 741 . 1 1 60 60 PHE C C 13 173.686 0.1 . 1 . . . . . . . . 5844 1 742 . 1 1 60 60 PHE CA C 13 56.469 0.1 . 1 . . . . . . . . 5844 1 743 . 1 1 60 60 PHE CB C 13 42.851 0.1 . 1 . . . . . . . . 5844 1 744 . 1 1 60 60 PHE CD1 C 13 133.198 0.1 . 1 . . . . . . . . 5844 1 745 . 1 1 60 60 PHE CD2 C 13 133.198 0.1 . 1 . . . . . . . . 5844 1 746 . 1 1 60 60 PHE CE1 C 13 130.678 0.1 . 1 . . . . . . . . 5844 1 747 . 1 1 60 60 PHE CE2 C 13 130.678 0.1 . 1 . . . . . . . . 5844 1 748 . 1 1 60 60 PHE CZ C 13 129.380 0.1 . 1 . . . . . . . . 5844 1 749 . 1 1 60 60 PHE N N 15 115.459 0.1 . 1 . . . . . . . . 5844 1 750 . 1 1 61 61 ILE H H 1 8.965 0.02 . 1 . . . . . . . . 5844 1 751 . 1 1 61 61 ILE HA H 1 5.780 0.02 . 1 . . . . . . . . 5844 1 752 . 1 1 61 61 ILE HB H 1 1.766 0.02 . 1 . . . . . . . . 5844 1 753 . 1 1 61 61 ILE HG12 H 1 2.033 0.02 . 2 . . . . . . . . 5844 1 754 . 1 1 61 61 ILE HG13 H 1 1.270 0.02 . 2 . . . . . . . . 5844 1 755 . 1 1 61 61 ILE HG21 H 1 0.792 0.02 . 1 . . . . . . . . 5844 1 756 . 1 1 61 61 ILE HG22 H 1 0.792 0.02 . 1 . . . . . . . . 5844 1 757 . 1 1 61 61 ILE HG23 H 1 0.792 0.02 . 1 . . . . . . . . 5844 1 758 . 1 1 61 61 ILE HD11 H 1 0.923 0.02 . 1 . . . . . . . . 5844 1 759 . 1 1 61 61 ILE HD12 H 1 0.923 0.02 . 1 . . . . . . . . 5844 1 760 . 1 1 61 61 ILE HD13 H 1 0.923 0.02 . 1 . . . . . . . . 5844 1 761 . 1 1 61 61 ILE C C 13 175.675 0.1 . 1 . . . . . . . . 5844 1 762 . 1 1 61 61 ILE CA C 13 58.280 0.1 . 1 . . . . . . . . 5844 1 763 . 1 1 61 61 ILE CB C 13 41.093 0.1 . 1 . . . . . . . . 5844 1 764 . 1 1 61 61 ILE CG1 C 13 25.725 0.1 . 1 . . . . . . . . 5844 1 765 . 1 1 61 61 ILE CG2 C 13 18.323 0.1 . 1 . . . . . . . . 5844 1 766 . 1 1 61 61 ILE CD1 C 13 14.183 0.1 . 1 . . . . . . . . 5844 1 767 . 1 1 61 61 ILE N N 15 109.286 0.1 . 1 . . . . . . . . 5844 1 768 . 1 1 62 62 SER H H 1 9.952 0.02 . 1 . . . . . . . . 5844 1 769 . 1 1 62 62 SER HA H 1 5.645 0.02 . 1 . . . . . . . . 5844 1 770 . 1 1 62 62 SER HB2 H 1 4.036 0.02 . 1 . . . . . . . . 5844 1 771 . 1 1 62 62 SER HB3 H 1 4.036 0.02 . 1 . . . . . . . . 5844 1 772 . 1 1 62 62 SER C C 13 175.117 0.1 . 1 . . . . . . . . 5844 1 773 . 1 1 62 62 SER CA C 13 56.894 0.1 . 1 . . . . . . . . 5844 1 774 . 1 1 62 62 SER CB C 13 64.262 0.1 . 1 . . . . . . . . 5844 1 775 . 1 1 62 62 SER N N 15 121.046 0.1 . 1 . . . . . . . . 5844 1 776 . 1 1 63 63 VAL H H 1 9.529 0.02 . 1 . . . . . . . . 5844 1 777 . 1 1 63 63 VAL HA H 1 4.699 0.02 . 1 . . . . . . . . 5844 1 778 . 1 1 63 63 VAL HB H 1 2.243 0.02 . 1 . . . . . . . . 5844 1 779 . 1 1 63 63 VAL HG11 H 1 1.170 0.02 . 1 . . . . . . . . 5844 1 780 . 1 1 63 63 VAL HG12 H 1 1.170 0.02 . 1 . . . . . . . . 5844 1 781 . 1 1 63 63 VAL HG13 H 1 1.170 0.02 . 1 . . . . . . . . 5844 1 782 . 1 1 63 63 VAL HG21 H 1 1.139 0.02 . 1 . . . . . . . . 5844 1 783 . 1 1 63 63 VAL HG22 H 1 1.139 0.02 . 1 . . . . . . . . 5844 1 784 . 1 1 63 63 VAL HG23 H 1 1.139 0.02 . 1 . . . . . . . . 5844 1 785 . 1 1 63 63 VAL C C 13 173.893 0.1 . 1 . . . . . . . . 5844 1 786 . 1 1 63 63 VAL CA C 13 61.707 0.1 . 1 . . . . . . . . 5844 1 787 . 1 1 63 63 VAL CB C 13 34.447 0.1 . 1 . . . . . . . . 5844 1 788 . 1 1 63 63 VAL CG1 C 13 22.012 0.1 . 1 . . . . . . . . 5844 1 789 . 1 1 63 63 VAL CG2 C 13 22.190 0.1 . 1 . . . . . . . . 5844 1 790 . 1 1 63 63 VAL N N 15 129.348 0.1 . 1 . . . . . . . . 5844 1 791 . 1 1 64 64 ASP H H 1 9.093 0.02 . 1 . . . . . . . . 5844 1 792 . 1 1 64 64 ASP HA H 1 6.215 0.02 . 1 . . . . . . . . 5844 1 793 . 1 1 64 64 ASP HB2 H 1 2.429 0.02 . 2 . . . . . . . . 5844 1 794 . 1 1 64 64 ASP HB3 H 1 2.828 0.02 . 2 . . . . . . . . 5844 1 795 . 1 1 64 64 ASP C C 13 176.649 0.1 . 1 . . . . . . . . 5844 1 796 . 1 1 64 64 ASP CA C 13 52.125 0.1 . 1 . . . . . . . . 5844 1 797 . 1 1 64 64 ASP CB C 13 41.773 0.1 . 1 . . . . . . . . 5844 1 798 . 1 1 64 64 ASP N N 15 127.869 0.1 . 1 . . . . . . . . 5844 1 799 . 1 1 65 65 LYS H H 1 9.071 0.02 . 1 . . . . . . . . 5844 1 800 . 1 1 65 65 LYS HA H 1 5.210 0.02 . 1 . . . . . . . . 5844 1 801 . 1 1 65 65 LYS HB2 H 1 1.118 0.02 . 2 . . . . . . . . 5844 1 802 . 1 1 65 65 LYS HB3 H 1 0.449 0.02 . 2 . . . . . . . . 5844 1 803 . 1 1 65 65 LYS HG2 H 1 0.968 0.02 . 2 . . . . . . . . 5844 1 804 . 1 1 65 65 LYS HG3 H 1 0.746 0.02 . 2 . . . . . . . . 5844 1 805 . 1 1 65 65 LYS HD2 H 1 0.173 0.02 . 2 . . . . . . . . 5844 1 806 . 1 1 65 65 LYS HD3 H 1 -1.016 0.02 . 2 . . . . . . . . 5844 1 807 . 1 1 65 65 LYS HE2 H 1 2.639 0.02 . 2 . . . . . . . . 5844 1 808 . 1 1 65 65 LYS HE3 H 1 2.643 0.02 . 2 . . . . . . . . 5844 1 809 . 1 1 65 65 LYS C C 13 175.936 0.1 . 1 . . . . . . . . 5844 1 810 . 1 1 65 65 LYS CA C 13 52.981 0.1 . 1 . . . . . . . . 5844 1 811 . 1 1 65 65 LYS CB C 13 34.777 0.1 . 1 . . . . . . . . 5844 1 812 . 1 1 65 65 LYS CG C 13 22.321 0.1 . 1 . . . . . . . . 5844 1 813 . 1 1 65 65 LYS CD C 13 28.363 0.1 . 1 . . . . . . . . 5844 1 814 . 1 1 65 65 LYS CE C 13 42.792 0.1 . 1 . . . . . . . . 5844 1 815 . 1 1 65 65 LYS N N 15 120.964 0.1 . 1 . . . . . . . . 5844 1 816 . 1 1 66 66 GLU H H 1 8.282 0.02 . 1 . . . . . . . . 5844 1 817 . 1 1 66 66 GLU HA H 1 4.143 0.02 . 1 . . . . . . . . 5844 1 818 . 1 1 66 66 GLU HB2 H 1 2.186 0.02 . 2 . . . . . . . . 5844 1 819 . 1 1 66 66 GLU HB3 H 1 1.609 0.02 . 2 . . . . . . . . 5844 1 820 . 1 1 66 66 GLU HG2 H 1 2.300 0.02 . 2 . . . . . . . . 5844 1 821 . 1 1 66 66 GLU HG3 H 1 2.051 0.02 . 2 . . . . . . . . 5844 1 822 . 1 1 66 66 GLU C C 13 178.756 0.1 . 1 . . . . . . . . 5844 1 823 . 1 1 66 66 GLU CA C 13 55.751 0.1 . 1 . . . . . . . . 5844 1 824 . 1 1 66 66 GLU CB C 13 30.121 0.1 . 1 . . . . . . . . 5844 1 825 . 1 1 66 66 GLU CG C 13 35.198 0.1 . 1 . . . . . . . . 5844 1 826 . 1 1 66 66 GLU N N 15 118.741 0.1 . 1 . . . . . . . . 5844 1 827 . 1 1 67 67 ASN H H 1 9.071 0.02 . 1 . . . . . . . . 5844 1 828 . 1 1 67 67 ASN HA H 1 4.385 0.02 . 1 . . . . . . . . 5844 1 829 . 1 1 67 67 ASN HB2 H 1 2.780 0.02 . 2 . . . . . . . . 5844 1 830 . 1 1 67 67 ASN HB3 H 1 2.778 0.02 . 2 . . . . . . . . 5844 1 831 . 1 1 67 67 ASN HD21 H 1 7.719 0.02 . 1 . . . . . . . . 5844 1 832 . 1 1 67 67 ASN HD22 H 1 6.991 0.02 . 1 . . . . . . . . 5844 1 833 . 1 1 67 67 ASN C C 13 176.421 0.1 . 1 . . . . . . . . 5844 1 834 . 1 1 67 67 ASN CA C 13 56.903 0.1 . 1 . . . . . . . . 5844 1 835 . 1 1 67 67 ASN CB C 13 39.018 0.1 . 1 . . . . . . . . 5844 1 836 . 1 1 67 67 ASN N N 15 122.060 0.1 . 1 . . . . . . . . 5844 1 837 . 1 1 67 67 ASN ND2 N 15 114.356 0.1 . 1 . . . . . . . . 5844 1 838 . 1 1 68 68 ASP H H 1 8.322 0.02 . 1 . . . . . . . . 5844 1 839 . 1 1 68 68 ASP HA H 1 4.527 0.02 . 1 . . . . . . . . 5844 1 840 . 1 1 68 68 ASP HB2 H 1 2.660 0.02 . 2 . . . . . . . . 5844 1 841 . 1 1 68 68 ASP HB3 H 1 2.672 0.02 . 2 . . . . . . . . 5844 1 842 . 1 1 68 68 ASP C C 13 176.143 0.1 . 1 . . . . . . . . 5844 1 843 . 1 1 68 68 ASP CA C 13 53.915 0.1 . 1 . . . . . . . . 5844 1 844 . 1 1 68 68 ASP CB C 13 40.124 0.1 . 1 . . . . . . . . 5844 1 845 . 1 1 68 68 ASP N N 15 112.268 0.1 . 1 . . . . . . . . 5844 1 846 . 1 1 69 69 ALA H H 1 7.131 0.02 . 1 . . . . . . . . 5844 1 847 . 1 1 69 69 ALA HA H 1 4.433 0.02 . 1 . . . . . . . . 5844 1 848 . 1 1 69 69 ALA HB1 H 1 1.282 0.02 . 1 . . . . . . . . 5844 1 849 . 1 1 69 69 ALA HB2 H 1 1.282 0.02 . 1 . . . . . . . . 5844 1 850 . 1 1 69 69 ALA HB3 H 1 1.282 0.02 . 1 . . . . . . . . 5844 1 851 . 1 1 69 69 ALA C C 13 175.954 0.1 . 1 . . . . . . . . 5844 1 852 . 1 1 69 69 ALA CA C 13 51.014 0.1 . 1 . . . . . . . . 5844 1 853 . 1 1 69 69 ALA CB C 13 20.183 0.1 . 1 . . . . . . . . 5844 1 854 . 1 1 69 69 ALA N N 15 122.269 0.1 . 1 . . . . . . . . 5844 1 855 . 1 1 70 70 ASN H H 1 9.052 0.02 . 1 . . . . . . . . 5844 1 856 . 1 1 70 70 ASN HA H 1 5.067 0.02 . 1 . . . . . . . . 5844 1 857 . 1 1 70 70 ASN HB2 H 1 2.861 0.02 . 2 . . . . . . . . 5844 1 858 . 1 1 70 70 ASN HB3 H 1 2.952 0.02 . 2 . . . . . . . . 5844 1 859 . 1 1 70 70 ASN HD21 H 1 7.759 0.02 . 1 . . . . . . . . 5844 1 860 . 1 1 70 70 ASN HD22 H 1 7.019 0.02 . 1 . . . . . . . . 5844 1 861 . 1 1 70 70 ASN C C 13 176.728 0.1 . 1 . . . . . . . . 5844 1 862 . 1 1 70 70 ASN CA C 13 51.256 0.1 . 1 . . . . . . . . 5844 1 863 . 1 1 70 70 ASN CB C 13 41.143 0.1 . 1 . . . . . . . . 5844 1 864 . 1 1 70 70 ASN N N 15 118.796 0.1 . 1 . . . . . . . . 5844 1 865 . 1 1 70 70 ASN ND2 N 15 114.632 0.1 . 1 . . . . . . . . 5844 1 866 . 1 1 71 71 TRP H H 1 9.490 0.02 . 1 . . . . . . . . 5844 1 867 . 1 1 71 71 TRP HA H 1 4.647 0.02 . 1 . . . . . . . . 5844 1 868 . 1 1 71 71 TRP HB2 H 1 3.356 0.02 . 2 . . . . . . . . 5844 1 869 . 1 1 71 71 TRP HB3 H 1 3.273 0.02 . 2 . . . . . . . . 5844 1 870 . 1 1 71 71 TRP HD1 H 1 7.431 0.02 . 1 . . . . . . . . 5844 1 871 . 1 1 71 71 TRP HE1 H 1 9.956 0.02 . 1 . . . . . . . . 5844 1 872 . 1 1 71 71 TRP HZ2 H 1 7.494 0.02 . 1 . . . . . . . . 5844 1 873 . 1 1 71 71 TRP HH2 H 1 7.224 0.02 . 1 . . . . . . . . 5844 1 874 . 1 1 71 71 TRP HZ3 H 1 6.690 0.02 . 1 . . . . . . . . 5844 1 875 . 1 1 71 71 TRP HE3 H 1 7.477 0.02 . 1 . . . . . . . . 5844 1 876 . 1 1 71 71 TRP CZ2 C 13 115.95 0.1 . 1 . . . . . . . . 5844 1 877 . 1 1 71 71 TRP CH2 C 13 125.27 0.1 . 1 . . . . . . . . 5844 1 878 . 1 1 71 71 TRP CZ3 C 13 120.358 0.1 . 1 . . . . . . . . 5844 1 879 . 1 1 71 71 TRP CE3 C 13 120.27 0.1 . 1 . . . . . . . . 5844 1 880 . 1 1 71 71 TRP C C 13 177.891 0.1 . 1 . . . . . . . . 5844 1 881 . 1 1 71 71 TRP CA C 13 60.624 0.1 . 1 . . . . . . . . 5844 1 882 . 1 1 71 71 TRP CB C 13 30.141 0.1 . 1 . . . . . . . . 5844 1 883 . 1 1 71 71 TRP CD1 C 13 128.442 0.1 . 1 . . . . . . . . 5844 1 884 . 1 1 71 71 TRP N N 15 125.989 0.1 . 1 . . . . . . . . 5844 1 885 . 1 1 71 71 TRP NE1 N 15 127.607 0.1 . 1 . . . . . . . . 5844 1 886 . 1 1 72 72 GLU H H 1 9.323 0.02 . 1 . . . . . . . . 5844 1 887 . 1 1 72 72 GLU HA H 1 4.171 0.02 . 1 . . . . . . . . 5844 1 888 . 1 1 72 72 GLU HB2 H 1 2.135 0.02 . 2 . . . . . . . . 5844 1 889 . 1 1 72 72 GLU HB3 H 1 2.058 0.02 . 2 . . . . . . . . 5844 1 890 . 1 1 72 72 GLU HG2 H 1 2.416 0.02 . 1 . . . . . . . . 5844 1 891 . 1 1 72 72 GLU HG3 H 1 2.416 0.02 . 1 . . . . . . . . 5844 1 892 . 1 1 72 72 GLU C C 13 177.775 0.1 . 1 . . . . . . . . 5844 1 893 . 1 1 72 72 GLU CA C 13 59.758 0.1 . 1 . . . . . . . . 5844 1 894 . 1 1 72 72 GLU CB C 13 29.002 0.1 . 1 . . . . . . . . 5844 1 895 . 1 1 72 72 GLU CG C 13 36.943 0.1 . 1 . . . . . . . . 5844 1 896 . 1 1 72 72 GLU N N 15 117.581 0.1 . 1 . . . . . . . . 5844 1 897 . 1 1 73 73 THR H H 1 7.481 0.02 . 1 . . . . . . . . 5844 1 898 . 1 1 73 73 THR HA H 1 4.344 0.02 . 1 . . . . . . . . 5844 1 899 . 1 1 73 73 THR HB H 1 4.352 0.02 . 1 . . . . . . . . 5844 1 900 . 1 1 73 73 THR HG21 H 1 1.274 0.02 . 1 . . . . . . . . 5844 1 901 . 1 1 73 73 THR HG22 H 1 1.274 0.02 . 1 . . . . . . . . 5844 1 902 . 1 1 73 73 THR HG23 H 1 1.274 0.02 . 1 . . . . . . . . 5844 1 903 . 1 1 73 73 THR C C 13 176.175 0.1 . 1 . . . . . . . . 5844 1 904 . 1 1 73 73 THR CA C 13 63.769 0.1 . 1 . . . . . . . . 5844 1 905 . 1 1 73 73 THR CB C 13 69.156 0.1 . 1 . . . . . . . . 5844 1 906 . 1 1 73 73 THR CG2 C 13 22.043 0.1 . 1 . . . . . . . . 5844 1 907 . 1 1 73 73 THR N N 15 111.273 0.1 . 1 . . . . . . . . 5844 1 908 . 1 1 74 74 VAL H H 1 8.012 0.02 . 1 . . . . . . . . 5844 1 909 . 1 1 74 74 VAL HA H 1 3.707 0.02 . 1 . . . . . . . . 5844 1 910 . 1 1 74 74 VAL HB H 1 1.887 0.02 . 1 . . . . . . . . 5844 1 911 . 1 1 74 74 VAL HG11 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1 912 . 1 1 74 74 VAL HG12 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1 913 . 1 1 74 74 VAL HG13 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1 914 . 1 1 74 74 VAL HG21 H 1 0.970 0.02 . 1 . . . . . . . . 5844 1 915 . 1 1 74 74 VAL HG22 H 1 0.970 0.02 . 1 . . . . . . . . 5844 1 916 . 1 1 74 74 VAL HG23 H 1 0.970 0.02 . 1 . . . . . . . . 5844 1 917 . 1 1 74 74 VAL C C 13 177.933 0.1 . 1 . . . . . . . . 5844 1 918 . 1 1 74 74 VAL CA C 13 66.293 0.1 . 1 . . . . . . . . 5844 1 919 . 1 1 74 74 VAL CB C 13 34.587 0.1 . 1 . . . . . . . . 5844 1 920 . 1 1 74 74 VAL CG1 C 13 22.438 0.1 . 1 . . . . . . . . 5844 1 921 . 1 1 74 74 VAL CG2 C 13 22.447 0.1 . 1 . . . . . . . . 5844 1 922 . 1 1 74 74 VAL N N 15 121.666 0.1 . 1 . . . . . . . . 5844 1 923 . 1 1 75 75 LEU H H 1 9.422 0.02 . 1 . . . . . . . . 5844 1 924 . 1 1 75 75 LEU HA H 1 4.364 0.02 . 1 . . . . . . . . 5844 1 925 . 1 1 75 75 LEU HB2 H 1 2.040 0.02 . 1 . . . . . . . . 5844 1 926 . 1 1 75 75 LEU HB3 H 1 2.040 0.02 . 1 . . . . . . . . 5844 1 927 . 1 1 75 75 LEU HG H 1 2.041 0.02 . 1 . . . . . . . . 5844 1 928 . 1 1 75 75 LEU HD11 H 1 0.868 0.02 . 1 . . . . . . . . 5844 1 929 . 1 1 75 75 LEU HD12 H 1 0.868 0.02 . 1 . . . . . . . . 5844 1 930 . 1 1 75 75 LEU HD13 H 1 0.868 0.02 . 1 . . . . . . . . 5844 1 931 . 1 1 75 75 LEU HD21 H 1 0.845 0.02 . 1 . . . . . . . . 5844 1 932 . 1 1 75 75 LEU HD22 H 1 0.845 0.02 . 1 . . . . . . . . 5844 1 933 . 1 1 75 75 LEU HD23 H 1 0.845 0.02 . 1 . . . . . . . . 5844 1 934 . 1 1 75 75 LEU CA C 13 60.234 0.1 . 1 . . . . . . . . 5844 1 935 . 1 1 75 75 LEU CB C 13 39.556 0.1 . 1 . . . . . . . . 5844 1 936 . 1 1 75 75 LEU CG C 13 27.248 0.1 . 1 . . . . . . . . 5844 1 937 . 1 1 75 75 LEU CD1 C 13 23.644 0.1 . 1 . . . . . . . . 5844 1 938 . 1 1 75 75 LEU CD2 C 13 24.254 0.1 . 1 . . . . . . . . 5844 1 939 . 1 1 75 75 LEU N N 15 118.983 0.1 . 1 . . . . . . . . 5844 1 940 . 1 1 76 76 PRO HA H 1 4.518 0.02 . 1 . . . . . . . . 5844 1 941 . 1 1 76 76 PRO HB2 H 1 2.434 0.02 . 2 . . . . . . . . 5844 1 942 . 1 1 76 76 PRO HB3 H 1 1.823 0.02 . 2 . . . . . . . . 5844 1 943 . 1 1 76 76 PRO HG2 H 1 2.235 0.02 . 2 . . . . . . . . 5844 1 944 . 1 1 76 76 PRO HG3 H 1 2.067 0.02 . 2 . . . . . . . . 5844 1 945 . 1 1 76 76 PRO HD2 H 1 3.771 0.02 . 2 . . . . . . . . 5844 1 946 . 1 1 76 76 PRO HD3 H 1 3.487 0.02 . 2 . . . . . . . . 5844 1 947 . 1 1 76 76 PRO C C 13 180.268 0.1 . 1 . . . . . . . . 5844 1 948 . 1 1 76 76 PRO CA C 13 66.204 0.1 . 1 . . . . . . . . 5844 1 949 . 1 1 76 76 PRO CB C 13 31.224 0.1 . 1 . . . . . . . . 5844 1 950 . 1 1 76 76 PRO CG C 13 28.727 0.1 . 1 . . . . . . . . 5844 1 951 . 1 1 76 76 PRO CD C 13 50.483 0.1 . 1 . . . . . . . . 5844 1 952 . 1 1 77 77 LYS H H 1 6.904 0.02 . 1 . . . . . . . . 5844 1 953 . 1 1 77 77 LYS HA H 1 4.158 0.02 . 1 . . . . . . . . 5844 1 954 . 1 1 77 77 LYS HB2 H 1 2.237 0.02 . 2 . . . . . . . . 5844 1 955 . 1 1 77 77 LYS HB3 H 1 1.970 0.02 . 2 . . . . . . . . 5844 1 956 . 1 1 77 77 LYS HG2 H 1 1.756 0.02 . 2 . . . . . . . . 5844 1 957 . 1 1 77 77 LYS HG3 H 1 1.512 0.02 . 2 . . . . . . . . 5844 1 958 . 1 1 77 77 LYS HD2 H 1 1.824 0.02 . 2 . . . . . . . . 5844 1 959 . 1 1 77 77 LYS HD3 H 1 1.835 0.02 . 2 . . . . . . . . 5844 1 960 . 1 1 77 77 LYS HE2 H 1 3.062 0.02 . 2 . . . . . . . . 5844 1 961 . 1 1 77 77 LYS HE3 H 1 3.059 0.02 . 2 . . . . . . . . 5844 1 962 . 1 1 77 77 LYS C C 13 178.997 0.1 . 1 . . . . . . . . 5844 1 963 . 1 1 77 77 LYS CA C 13 58.950 0.1 . 1 . . . . . . . . 5844 1 964 . 1 1 77 77 LYS CB C 13 33.671 0.1 . 1 . . . . . . . . 5844 1 965 . 1 1 77 77 LYS CG C 13 25.967 0.1 . 1 . . . . . . . . 5844 1 966 . 1 1 77 77 LYS CD C 13 29.728 0.1 . 1 . . . . . . . . 5844 1 967 . 1 1 77 77 LYS CE C 13 42.395 0.1 . 1 . . . . . . . . 5844 1 968 . 1 1 77 77 LYS N N 15 115.740 0.1 . 1 . . . . . . . . 5844 1 969 . 1 1 78 78 VAL H H 1 8.054 0.02 . 1 . . . . . . . . 5844 1 970 . 1 1 78 78 VAL HA H 1 3.664 0.02 . 1 . . . . . . . . 5844 1 971 . 1 1 78 78 VAL HB H 1 2.570 0.02 . 1 . . . . . . . . 5844 1 972 . 1 1 78 78 VAL HG11 H 1 1.060 0.02 . 1 . . . . . . . . 5844 1 973 . 1 1 78 78 VAL HG12 H 1 1.060 0.02 . 1 . . . . . . . . 5844 1 974 . 1 1 78 78 VAL HG13 H 1 1.060 0.02 . 1 . . . . . . . . 5844 1 975 . 1 1 78 78 VAL HG21 H 1 1.174 0.02 . 1 . . . . . . . . 5844 1 976 . 1 1 78 78 VAL HG22 H 1 1.174 0.02 . 1 . . . . . . . . 5844 1 977 . 1 1 78 78 VAL HG23 H 1 1.174 0.02 . 1 . . . . . . . . 5844 1 978 . 1 1 78 78 VAL C C 13 177.851 0.1 . 1 . . . . . . . . 5844 1 979 . 1 1 78 78 VAL CA C 13 66.980 0.1 . 1 . . . . . . . . 5844 1 980 . 1 1 78 78 VAL CB C 13 31.618 0.1 . 1 . . . . . . . . 5844 1 981 . 1 1 78 78 VAL CG1 C 13 21.172 0.1 . 1 . . . . . . . . 5844 1 982 . 1 1 78 78 VAL CG2 C 13 23.651 0.1 . 1 . . . . . . . . 5844 1 983 . 1 1 78 78 VAL N N 15 121.351 0.1 . 1 . . . . . . . . 5844 1 984 . 1 1 79 79 GLU H H 1 8.853 0.02 . 1 . . . . . . . . 5844 1 985 . 1 1 79 79 GLU HA H 1 3.968 0.02 . 1 . . . . . . . . 5844 1 986 . 1 1 79 79 GLU HB2 H 1 2.095 0.02 . 2 . . . . . . . . 5844 1 987 . 1 1 79 79 GLU HB3 H 1 2.126 0.02 . 2 . . . . . . . . 5844 1 988 . 1 1 79 79 GLU HG2 H 1 2.446 0.02 . 2 . . . . . . . . 5844 1 989 . 1 1 79 79 GLU HG3 H 1 2.040 0.02 . 2 . . . . . . . . 5844 1 990 . 1 1 79 79 GLU C C 13 179.769 0.1 . 1 . . . . . . . . 5844 1 991 . 1 1 79 79 GLU CA C 13 60.369 0.1 . 1 . . . . . . . . 5844 1 992 . 1 1 79 79 GLU CB C 13 29.786 0.1 . 1 . . . . . . . . 5844 1 993 . 1 1 79 79 GLU CG C 13 36.953 0.1 . 1 . . . . . . . . 5844 1 994 . 1 1 79 79 GLU N N 15 117.081 0.1 . 1 . . . . . . . . 5844 1 995 . 1 1 80 80 ALA H H 1 7.603 0.02 . 1 . . . . . . . . 5844 1 996 . 1 1 80 80 ALA HA H 1 4.192 0.02 . 1 . . . . . . . . 5844 1 997 . 1 1 80 80 ALA HB1 H 1 1.537 0.02 . 1 . . . . . . . . 5844 1 998 . 1 1 80 80 ALA HB2 H 1 1.537 0.02 . 1 . . . . . . . . 5844 1 999 . 1 1 80 80 ALA HB3 H 1 1.537 0.02 . 1 . . . . . . . . 5844 1 1000 . 1 1 80 80 ALA C C 13 179.560 0.1 . 1 . . . . . . . . 5844 1 1001 . 1 1 80 80 ALA CA C 13 54.425 0.1 . 1 . . . . . . . . 5844 1 1002 . 1 1 80 80 ALA CB C 13 18.257 0.1 . 1 . . . . . . . . 5844 1 1003 . 1 1 80 80 ALA N N 15 119.149 0.1 . 1 . . . . . . . . 5844 1 1004 . 1 1 81 81 VAL H H 1 7.413 0.02 . 1 . . . . . . . . 5844 1 1005 . 1 1 81 81 VAL HA H 1 3.604 0.02 . 1 . . . . . . . . 5844 1 1006 . 1 1 81 81 VAL HB H 1 2.179 0.02 . 1 . . . . . . . . 5844 1 1007 . 1 1 81 81 VAL HG11 H 1 0.654 0.02 . 1 . . . . . . . . 5844 1 1008 . 1 1 81 81 VAL HG12 H 1 0.654 0.02 . 1 . . . . . . . . 5844 1 1009 . 1 1 81 81 VAL HG13 H 1 0.654 0.02 . 1 . . . . . . . . 5844 1 1010 . 1 1 81 81 VAL HG21 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1 1011 . 1 1 81 81 VAL HG22 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1 1012 . 1 1 81 81 VAL HG23 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1 1013 . 1 1 81 81 VAL C C 13 177.465 0.1 . 1 . . . . . . . . 5844 1 1014 . 1 1 81 81 VAL CA C 13 65.286 0.1 . 1 . . . . . . . . 5844 1 1015 . 1 1 81 81 VAL CB C 13 31.278 0.1 . 1 . . . . . . . . 5844 1 1016 . 1 1 81 81 VAL CG1 C 13 21.069 0.1 . 1 . . . . . . . . 5844 1 1017 . 1 1 81 81 VAL CG2 C 13 21.805 0.1 . 1 . . . . . . . . 5844 1 1018 . 1 1 81 81 VAL N N 15 117.374 0.1 . 1 . . . . . . . . 5844 1 1019 . 1 1 82 82 PHE H H 1 7.266 0.02 . 1 . . . . . . . . 5844 1 1020 . 1 1 82 82 PHE HA H 1 4.310 0.02 . 1 . . . . . . . . 5844 1 1021 . 1 1 82 82 PHE HB2 H 1 3.450 0.02 . 2 . . . . . . . . 5844 1 1022 . 1 1 82 82 PHE HB3 H 1 2.908 0.02 . 2 . . . . . . . . 5844 1 1023 . 1 1 82 82 PHE HD1 H 1 7.214 0.02 . 1 . . . . . . . . 5844 1 1024 . 1 1 82 82 PHE HD2 H 1 7.214 0.02 . 1 . . . . . . . . 5844 1 1025 . 1 1 82 82 PHE HE1 H 1 6.767 0.02 . 1 . . . . . . . . 5844 1 1026 . 1 1 82 82 PHE HE2 H 1 6.767 0.02 . 1 . . . . . . . . 5844 1 1027 . 1 1 82 82 PHE HZ H 1 6.915 0.02 . 1 . . . . . . . . 5844 1 1028 . 1 1 82 82 PHE C C 13 176.057 0.1 . 1 . . . . . . . . 5844 1 1029 . 1 1 82 82 PHE CA C 13 59.395 0.1 . 1 . . . . . . . . 5844 1 1030 . 1 1 82 82 PHE CB C 13 39.404 0.1 . 1 . . . . . . . . 5844 1 1031 . 1 1 82 82 PHE CD1 C 13 131.909 0.1 . 1 . . . . . . . . 5844 1 1032 . 1 1 82 82 PHE CD2 C 13 131.909 0.1 . 1 . . . . . . . . 5844 1 1033 . 1 1 82 82 PHE CE1 C 13 130.240 0.1 . 1 . . . . . . . . 5844 1 1034 . 1 1 82 82 PHE CE2 C 13 130.240 0.1 . 1 . . . . . . . . 5844 1 1035 . 1 1 82 82 PHE CZ C 13 128.924 0.1 . 1 . . . . . . . . 5844 1 1036 . 1 1 82 82 PHE N N 15 115.771 0.1 . 1 . . . . . . . . 5844 1 1037 . 1 1 83 83 GLU H H 1 7.681 0.02 . 1 . . . . . . . . 5844 1 1038 . 1 1 83 83 GLU HA H 1 4.321 0.02 . 1 . . . . . . . . 5844 1 1039 . 1 1 83 83 GLU HB2 H 1 2.187 0.02 . 2 . . . . . . . . 5844 1 1040 . 1 1 83 83 GLU HB3 H 1 2.050 0.02 . 2 . . . . . . . . 5844 1 1041 . 1 1 83 83 GLU HG2 H 1 2.350 0.02 . 1 . . . . . . . . 5844 1 1042 . 1 1 83 83 GLU HG3 H 1 2.350 0.02 . 1 . . . . . . . . 5844 1 1043 . 1 1 83 83 GLU C C 13 176.796 0.1 . 1 . . . . . . . . 5844 1 1044 . 1 1 83 83 GLU CA C 13 56.783 0.1 . 1 . . . . . . . . 5844 1 1045 . 1 1 83 83 GLU CB C 13 30.241 0.1 . 1 . . . . . . . . 5844 1 1046 . 1 1 83 83 GLU CG C 13 36.147 0.1 . 1 . . . . . . . . 5844 1 1047 . 1 1 83 83 GLU N N 15 119.191 0.1 . 1 . . . . . . . . 5844 1 1048 . 1 1 84 84 LEU H H 1 7.903 0.02 . 1 . . . . . . . . 5844 1 1049 . 1 1 84 84 LEU HA H 1 4.237 0.02 . 1 . . . . . . . . 5844 1 1050 . 1 1 84 84 LEU HB2 H 1 1.657 0.02 . 2 . . . . . . . . 5844 1 1051 . 1 1 84 84 LEU HB3 H 1 1.450 0.02 . 2 . . . . . . . . 5844 1 1052 . 1 1 84 84 LEU HG H 1 1.680 0.02 . 1 . . . . . . . . 5844 1 1053 . 1 1 84 84 LEU HD11 H 1 0.904 0.02 . 1 . . . . . . . . 5844 1 1054 . 1 1 84 84 LEU HD12 H 1 0.904 0.02 . 1 . . . . . . . . 5844 1 1055 . 1 1 84 84 LEU HD13 H 1 0.904 0.02 . 1 . . . . . . . . 5844 1 1056 . 1 1 84 84 LEU HD21 H 1 0.861 0.02 . 1 . . . . . . . . 5844 1 1057 . 1 1 84 84 LEU HD22 H 1 0.861 0.02 . 1 . . . . . . . . 5844 1 1058 . 1 1 84 84 LEU HD23 H 1 0.861 0.02 . 1 . . . . . . . . 5844 1 1059 . 1 1 84 84 LEU C C 13 177.692 0.1 . 1 . . . . . . . . 5844 1 1060 . 1 1 84 84 LEU CA C 13 55.723 0.1 . 1 . . . . . . . . 5844 1 1061 . 1 1 84 84 LEU CB C 13 42.338 0.1 . 1 . . . . . . . . 5844 1 1062 . 1 1 84 84 LEU CG C 13 26.948 0.1 . 1 . . . . . . . . 5844 1 1063 . 1 1 84 84 LEU CD1 C 13 24.950 0.1 . 1 . . . . . . . . 5844 1 1064 . 1 1 84 84 LEU CD2 C 13 23.501 0.1 . 1 . . . . . . . . 5844 1 1065 . 1 1 84 84 LEU N N 15 121.583 0.1 . 1 . . . . . . . . 5844 1 1066 . 1 1 85 85 GLU H H 1 8.252 0.02 . 1 . . . . . . . . 5844 1 1067 . 1 1 85 85 GLU HA H 1 4.123 0.02 . 1 . . . . . . . . 5844 1 1068 . 1 1 85 85 GLU HB2 H 1 1.934 0.02 . 1 . . . . . . . . 5844 1 1069 . 1 1 85 85 GLU HB3 H 1 1.934 0.02 . 1 . . . . . . . . 5844 1 1070 . 1 1 85 85 GLU HG2 H 1 2.175 0.02 . 1 . . . . . . . . 5844 1 1071 . 1 1 85 85 GLU HG3 H 1 2.175 0.02 . 1 . . . . . . . . 5844 1 1072 . 1 1 85 85 GLU C C 13 176.561 0.1 . 1 . . . . . . . . 5844 1 1073 . 1 1 85 85 GLU CA C 13 56.980 0.1 . 1 . . . . . . . . 5844 1 1074 . 1 1 85 85 GLU CB C 13 30.050 0.1 . 1 . . . . . . . . 5844 1 1075 . 1 1 85 85 GLU CG C 13 36.093 0.1 . 1 . . . . . . . . 5844 1 1076 . 1 1 85 85 GLU N N 15 120.473 0.1 . 1 . . . . . . . . 5844 1 1077 . 1 1 86 86 HIS H H 1 8.230 0.02 . 1 . . . . . . . . 5844 1 1078 . 1 1 86 86 HIS HA H 1 4.587 0.02 . 1 . . . . . . . . 5844 1 1079 . 1 1 86 86 HIS HB2 H 1 3.122 0.02 . 2 . . . . . . . . 5844 1 1080 . 1 1 86 86 HIS HB3 H 1 3.127 0.02 . 2 . . . . . . . . 5844 1 1081 . 1 1 86 86 HIS C C 13 173.902 0.1 . 1 . . . . . . . . 5844 1 1082 . 1 1 86 86 HIS CA C 13 56.036 0.1 . 1 . . . . . . . . 5844 1 1083 . 1 1 86 86 HIS CB C 13 29.924 0.1 . 1 . . . . . . . . 5844 1 1084 . 1 1 86 86 HIS N N 15 118.888 0.1 . 1 . . . . . . . . 5844 1 1085 . 1 1 87 87 HIS H H 1 8.163 0.02 . 1 . . . . . . . . 5844 1 1086 . 1 1 87 87 HIS HA H 1 4.412 0.02 . 1 . . . . . . . . 5844 1 1087 . 1 1 87 87 HIS CA C 13 57.230 0.1 . 1 . . . . . . . . 5844 1 1088 . 1 1 87 87 HIS CB C 13 27.970 0.1 . 1 . . . . . . . . 5844 1 1089 . 1 1 87 87 HIS N N 15 125.354 0.1 . 1 . . . . . . . . 5844 1 stop_ save_