################################### # 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 31150 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 31150 1 2 '2D CON' . . . 31150 1 3 '3D HNCACB' . . . 31150 1 4 '3D CBCA(CO)NH' . . . 31150 1 5 '3D HNCO' . . . 31150 1 6 '3D HN(CA)CO' . . . 31150 1 7 '3D 1H-13C CCH TOCSY' . . . 31150 1 8 '3D 1H-13C NOESY' . . . 31150 1 9 '2D 1H-13C HSQC' . . . 31150 1 10 '3D HNCAN' . . . 31150 1 11 '3D 1H-13C HCCH TOCSY' . . . 31150 1 12 '2D CACO' . . . 31150 1 13 '3D CANCO' . . . 31150 1 14 '3D 1H-15N NOESY' . . . 31150 1 15 '2D 1H-15N HSQC' . . . 31150 1 16 '3D HNHB' . . . 31150 1 17 '2D 1H-15N HSQC' . . . 31150 1 18 '2D 1H-13C HSQC' . . . 31150 1 19 '2D 1H-15N HSQC' . . . 31150 1 20 '2D 1H-15N HSQC' . . . 31150 1 21 '2D 1H-15N HSQC' . . . 31150 1 22 '2D 1H-15N HSQC' . . . 31150 1 23 '3D 1H-15N NOESY' . . . 31150 1 24 '2D 1H-13C HSQC' . . . 31150 1 25 '3D 1H-13C NOESY' . . . 31150 1 26 '2D 1H-15N HSQC' . . . 31150 1 27 '3D HN(CA)CO' . . . 31150 1 28 '3D HNCO' . . . 31150 1 29 '3D HNCO-COSY' . . . 31150 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 6 6 ILE H H 1 8.261 0.000 . 1 . . . . A 114 ILE H . 31150 1 2 . 1 . 1 6 6 ILE HA H 1 4.176 0.000 . 1 . . . . A 114 ILE HA . 31150 1 3 . 1 . 1 6 6 ILE HB H 1 1.850 0.000 . 1 . . . . A 114 ILE HB . 31150 1 4 . 1 . 1 6 6 ILE HG12 H 1 1.426 0.000 . 1 . . . . A 114 ILE HG12 . 31150 1 5 . 1 . 1 6 6 ILE HG13 H 1 1.163 0.000 . 1 . . . . A 114 ILE HG13 . 31150 1 6 . 1 . 1 6 6 ILE HG21 H 1 0.869 0.000 . 1 . . . . A 114 ILE HG21 . 31150 1 7 . 1 . 1 6 6 ILE HG22 H 1 0.869 0.000 . 1 . . . . A 114 ILE HG22 . 31150 1 8 . 1 . 1 6 6 ILE HG23 H 1 0.869 0.000 . 1 . . . . A 114 ILE HG23 . 31150 1 9 . 1 . 1 6 6 ILE HD11 H 1 0.832 0.000 . 1 . . . . A 114 ILE HD11 . 31150 1 10 . 1 . 1 6 6 ILE HD12 H 1 0.832 0.000 . 1 . . . . A 114 ILE HD12 . 31150 1 11 . 1 . 1 6 6 ILE HD13 H 1 0.832 0.000 . 1 . . . . A 114 ILE HD13 . 31150 1 12 . 1 . 1 6 6 ILE C C 13 176.155 0.000 . 1 . . . . A 114 ILE C . 31150 1 13 . 1 . 1 6 6 ILE CA C 13 60.819 0.000 . 1 . . . . A 114 ILE CA . 31150 1 14 . 1 . 1 6 6 ILE CB C 13 38.826 0.000 . 1 . . . . A 114 ILE CB . 31150 1 15 . 1 . 1 6 6 ILE CG1 C 13 26.814 0.000 . 1 . . . . A 114 ILE CG1 . 31150 1 16 . 1 . 1 6 6 ILE CG2 C 13 17.304 0.000 . 1 . . . . A 114 ILE CG2 . 31150 1 17 . 1 . 1 6 6 ILE CD1 C 13 12.878 0.000 . 1 . . . . A 114 ILE CD1 . 31150 1 18 . 1 . 1 6 6 ILE N N 15 122.444 0.000 . 1 . . . . A 114 ILE N . 31150 1 19 . 1 . 1 7 7 GLU H H 1 8.470 0.000 . 1 . . . . A 115 GLU H . 31150 1 20 . 1 . 1 7 7 GLU HA H 1 4.233 0.000 . 1 . . . . A 115 GLU HA . 31150 1 21 . 1 . 1 7 7 GLU HB2 H 1 1.952 0.000 . 2 . . . . A 115 GLU HB2 . 31150 1 22 . 1 . 1 7 7 GLU HB3 H 1 1.867 0.000 . 2 . . . . A 115 GLU HB3 . 31150 1 23 . 1 . 1 7 7 GLU HG2 H 1 2.223 0.000 . 2 . . . . A 115 GLU HG2 . 31150 1 24 . 1 . 1 7 7 GLU HG3 H 1 2.167 0.000 . 2 . . . . A 115 GLU HG3 . 31150 1 25 . 1 . 1 7 7 GLU C C 13 176.108 0.000 . 1 . . . . A 115 GLU C . 31150 1 26 . 1 . 1 7 7 GLU CA C 13 56.346 0.000 . 1 . . . . A 115 GLU CA . 31150 1 27 . 1 . 1 7 7 GLU CB C 13 30.131 0.000 . 1 . . . . A 115 GLU CB . 31150 1 28 . 1 . 1 7 7 GLU CG C 13 36.168 0.000 . 1 . . . . A 115 GLU CG . 31150 1 29 . 1 . 1 7 7 GLU N N 15 125.251 0.000 . 1 . . . . A 115 GLU N . 31150 1 30 . 1 . 1 8 8 VAL H H 1 8.193 0.000 . 1 . . . . A 116 VAL H . 31150 1 31 . 1 . 1 8 8 VAL HA H 1 3.939 0.000 . 1 . . . . A 116 VAL HA . 31150 1 32 . 1 . 1 8 8 VAL HB H 1 1.915 0.000 . 1 . . . . A 116 VAL HB . 31150 1 33 . 1 . 1 8 8 VAL HG11 H 1 0.850 0.000 . 2 . . . . A 116 VAL HG11 . 31150 1 34 . 1 . 1 8 8 VAL HG12 H 1 0.850 0.000 . 2 . . . . A 116 VAL HG12 . 31150 1 35 . 1 . 1 8 8 VAL HG13 H 1 0.850 0.000 . 2 . . . . A 116 VAL HG13 . 31150 1 36 . 1 . 1 8 8 VAL HG21 H 1 0.702 0.000 . 2 . . . . A 116 VAL HG21 . 31150 1 37 . 1 . 1 8 8 VAL HG22 H 1 0.702 0.000 . 2 . . . . A 116 VAL HG22 . 31150 1 38 . 1 . 1 8 8 VAL HG23 H 1 0.702 0.000 . 2 . . . . A 116 VAL HG23 . 31150 1 39 . 1 . 1 8 8 VAL C C 13 175.516 0.000 . 1 . . . . A 116 VAL C . 31150 1 40 . 1 . 1 8 8 VAL CA C 13 62.174 0.000 . 1 . . . . A 116 VAL CA . 31150 1 41 . 1 . 1 8 8 VAL CB C 13 32.356 0.000 . 1 . . . . A 116 VAL CB . 31150 1 42 . 1 . 1 8 8 VAL CG1 C 13 20.307 0.000 . 2 . . . . A 116 VAL CG1 . 31150 1 43 . 1 . 1 8 8 VAL CG2 C 13 20.808 0.000 . 2 . . . . A 116 VAL CG2 . 31150 1 44 . 1 . 1 8 8 VAL N N 15 122.439 0.000 . 1 . . . . A 116 VAL N . 31150 1 45 . 1 . 1 9 9 MET H H 1 8.299 0.000 . 1 . . . . A 117 MET H . 31150 1 46 . 1 . 1 9 9 MET HA H 1 4.367 0.000 . 1 . . . . A 117 MET HA . 31150 1 47 . 1 . 1 9 9 MET HB2 H 1 1.832 0.000 . 2 . . . . A 117 MET HB2 . 31150 1 48 . 1 . 1 9 9 MET HB3 H 1 1.832 0.000 . 2 . . . . A 117 MET HB3 . 31150 1 49 . 1 . 1 9 9 MET HG2 H 1 2.428 0.000 . 2 . . . . A 117 MET HG2 . 31150 1 50 . 1 . 1 9 9 MET HG3 H 1 2.316 0.000 . 2 . . . . A 117 MET HG3 . 31150 1 51 . 1 . 1 9 9 MET HE1 H 1 2.002 0.000 . 1 . . . . A 117 MET HE1 . 31150 1 52 . 1 . 1 9 9 MET HE2 H 1 2.002 0.000 . 1 . . . . A 117 MET HE2 . 31150 1 53 . 1 . 1 9 9 MET HE3 H 1 2.002 0.000 . 1 . . . . A 117 MET HE3 . 31150 1 54 . 1 . 1 9 9 MET C C 13 175.314 0.000 . 1 . . . . A 117 MET C . 31150 1 55 . 1 . 1 9 9 MET CA C 13 55.027 0.000 . 1 . . . . A 117 MET CA . 31150 1 56 . 1 . 1 9 9 MET CB C 13 32.820 0.000 . 1 . . . . A 117 MET CB . 31150 1 57 . 1 . 1 9 9 MET CG C 13 31.758 0.000 . 1 . . . . A 117 MET CG . 31150 1 58 . 1 . 1 9 9 MET CE C 13 16.822 0.000 . 1 . . . . A 117 MET CE . 31150 1 59 . 1 . 1 9 9 MET N N 15 124.333 0.000 . 1 . . . . A 117 MET N . 31150 1 60 . 1 . 1 10 10 TYR H H 1 8.251 0.000 . 1 . . . . A 118 TYR H . 31150 1 61 . 1 . 1 10 10 TYR HA H 1 4.815 0.000 . 1 . . . . A 118 TYR HA . 31150 1 62 . 1 . 1 10 10 TYR HB2 H 1 3.028 0.000 . 2 . . . . A 118 TYR HB2 . 31150 1 63 . 1 . 1 10 10 TYR HB3 H 1 2.744 0.000 . 2 . . . . A 118 TYR HB3 . 31150 1 64 . 1 . 1 10 10 TYR HD1 H 1 7.120 0.000 . 3 . . . . A 118 TYR HD1 . 31150 1 65 . 1 . 1 10 10 TYR HD2 H 1 7.120 0.000 . 3 . . . . A 118 TYR HD2 . 31150 1 66 . 1 . 1 10 10 TYR HE1 H 1 6.765 0.000 . 3 . . . . A 118 TYR HE1 . 31150 1 67 . 1 . 1 10 10 TYR HE2 H 1 6.765 0.000 . 3 . . . . A 118 TYR HE2 . 31150 1 68 . 1 . 1 10 10 TYR C C 13 173.171 0.000 . 1 . . . . A 118 TYR C . 31150 1 69 . 1 . 1 10 10 TYR CA C 13 55.281 0.000 . 1 . . . . A 118 TYR CA . 31150 1 70 . 1 . 1 10 10 TYR CB C 13 38.053 0.000 . 1 . . . . A 118 TYR CB . 31150 1 71 . 1 . 1 10 10 TYR CD1 C 13 133.192 0.000 . 3 . . . . A 118 TYR CD1 . 31150 1 72 . 1 . 1 10 10 TYR CD2 C 13 133.192 0.000 . 3 . . . . A 118 TYR CD2 . 31150 1 73 . 1 . 1 10 10 TYR CE1 C 13 118.125 0.000 . 3 . . . . A 118 TYR CE1 . 31150 1 74 . 1 . 1 10 10 TYR CE2 C 13 118.125 0.000 . 3 . . . . A 118 TYR CE2 . 31150 1 75 . 1 . 1 10 10 TYR N N 15 122.089 0.000 . 1 . . . . A 118 TYR N . 31150 1 76 . 1 . 1 11 11 PRO HA H 1 4.660 0.000 . 1 . . . . A 119 PRO HA . 31150 1 77 . 1 . 1 11 11 PRO HB2 H 1 2.288 0.000 . 2 . . . . A 119 PRO HB2 . 31150 1 78 . 1 . 1 11 11 PRO HB3 H 1 1.877 0.000 . 2 . . . . A 119 PRO HB3 . 31150 1 79 . 1 . 1 11 11 PRO HG2 H 1 1.992 0.000 . 2 . . . . A 119 PRO HG2 . 31150 1 80 . 1 . 1 11 11 PRO HG3 H 1 1.992 0.000 . 2 . . . . A 119 PRO HG3 . 31150 1 81 . 1 . 1 11 11 PRO HD2 H 1 3.736 0.000 . 2 . . . . A 119 PRO HD2 . 31150 1 82 . 1 . 1 11 11 PRO HD3 H 1 3.599 0.000 . 2 . . . . A 119 PRO HD3 . 31150 1 83 . 1 . 1 11 11 PRO C C 13 174.125 0.000 . 1 . . . . A 119 PRO C . 31150 1 84 . 1 . 1 11 11 PRO CA C 13 61.283 0.000 . 1 . . . . A 119 PRO CA . 31150 1 85 . 1 . 1 11 11 PRO CB C 13 30.513 0.000 . 1 . . . . A 119 PRO CB . 31150 1 86 . 1 . 1 11 11 PRO CG C 13 27.173 0.000 . 1 . . . . A 119 PRO CG . 31150 1 87 . 1 . 1 11 11 PRO CD C 13 50.344 0.000 . 1 . . . . A 119 PRO CD . 31150 1 88 . 1 . 1 12 12 PRO HA H 1 4.667 0.000 . 1 . . . . A 120 PRO HA . 31150 1 89 . 1 . 1 12 12 PRO HB2 H 1 2.296 0.000 . 2 . . . . A 120 PRO HB2 . 31150 1 90 . 1 . 1 12 12 PRO HB3 H 1 1.800 0.000 . 2 . . . . A 120 PRO HB3 . 31150 1 91 . 1 . 1 12 12 PRO HG2 H 1 1.984 0.000 . 2 . . . . A 120 PRO HG2 . 31150 1 92 . 1 . 1 12 12 PRO HG3 H 1 1.984 0.000 . 2 . . . . A 120 PRO HG3 . 31150 1 93 . 1 . 1 12 12 PRO HD2 H 1 3.810 0.000 . 2 . . . . A 120 PRO HD2 . 31150 1 94 . 1 . 1 12 12 PRO HD3 H 1 3.592 0.000 . 2 . . . . A 120 PRO HD3 . 31150 1 95 . 1 . 1 12 12 PRO C C 13 174.955 0.000 . 1 . . . . A 120 PRO C . 31150 1 96 . 1 . 1 12 12 PRO CA C 13 61.435 0.000 . 1 . . . . A 120 PRO CA . 31150 1 97 . 1 . 1 12 12 PRO CB C 13 30.870 0.000 . 1 . . . . A 120 PRO CB . 31150 1 98 . 1 . 1 12 12 PRO CG C 13 27.139 0.000 . 1 . . . . A 120 PRO CG . 31150 1 99 . 1 . 1 12 12 PRO CD C 13 50.340 0.000 . 1 . . . . A 120 PRO CD . 31150 1 100 . 1 . 1 13 13 PRO HA H 1 4.350 0.000 . 1 . . . . A 121 PRO HA . 31150 1 101 . 1 . 1 13 13 PRO HB2 H 1 2.196 0.000 . 2 . . . . A 121 PRO HB2 . 31150 1 102 . 1 . 1 13 13 PRO HB3 H 1 1.772 0.000 . 2 . . . . A 121 PRO HB3 . 31150 1 103 . 1 . 1 13 13 PRO HG2 H 1 1.968 0.000 . 2 . . . . A 121 PRO HG2 . 31150 1 104 . 1 . 1 13 13 PRO HG3 H 1 1.945 0.000 . 2 . . . . A 121 PRO HG3 . 31150 1 105 . 1 . 1 13 13 PRO HD2 H 1 3.778 0.000 . 2 . . . . A 121 PRO HD2 . 31150 1 106 . 1 . 1 13 13 PRO HD3 H 1 3.671 0.000 . 2 . . . . A 121 PRO HD3 . 31150 1 107 . 1 . 1 13 13 PRO C C 13 176.491 0.000 . 1 . . . . A 121 PRO C . 31150 1 108 . 1 . 1 13 13 PRO CA C 13 62.852 0.000 . 1 . . . . A 121 PRO CA . 31150 1 109 . 1 . 1 13 13 PRO CB C 13 31.855 0.000 . 1 . . . . A 121 PRO CB . 31150 1 110 . 1 . 1 13 13 PRO CG C 13 26.926 0.000 . 1 . . . . A 121 PRO CG . 31150 1 111 . 1 . 1 13 13 PRO CD C 13 50.362 0.000 . 1 . . . . A 121 PRO CD . 31150 1 112 . 1 . 1 14 14 TYR H H 1 8.082 0.000 . 1 . . . . A 122 TYR H . 31150 1 113 . 1 . 1 14 14 TYR HA H 1 4.509 0.000 . 1 . . . . A 122 TYR HA . 31150 1 114 . 1 . 1 14 14 TYR HB2 H 1 2.968 0.000 . 2 . . . . A 122 TYR HB2 . 31150 1 115 . 1 . 1 14 14 TYR HB3 H 1 2.968 0.000 . 2 . . . . A 122 TYR HB3 . 31150 1 116 . 1 . 1 14 14 TYR HD1 H 1 7.072 0.000 . 3 . . . . A 122 TYR HD1 . 31150 1 117 . 1 . 1 14 14 TYR HD2 H 1 7.072 0.000 . 3 . . . . A 122 TYR HD2 . 31150 1 118 . 1 . 1 14 14 TYR HE1 H 1 6.786 0.000 . 3 . . . . A 122 TYR HE1 . 31150 1 119 . 1 . 1 14 14 TYR HE2 H 1 6.786 0.000 . 3 . . . . A 122 TYR HE2 . 31150 1 120 . 1 . 1 14 14 TYR C C 13 175.475 0.000 . 1 . . . . A 122 TYR C . 31150 1 121 . 1 . 1 14 14 TYR CA C 13 57.470 0.000 . 1 . . . . A 122 TYR CA . 31150 1 122 . 1 . 1 14 14 TYR CB C 13 38.472 0.000 . 1 . . . . A 122 TYR CB . 31150 1 123 . 1 . 1 14 14 TYR CD1 C 13 133.192 0.000 . 3 . . . . A 122 TYR CD1 . 31150 1 124 . 1 . 1 14 14 TYR CD2 C 13 133.192 0.000 . 3 . . . . A 122 TYR CD2 . 31150 1 125 . 1 . 1 14 14 TYR CE1 C 13 118.012 0.000 . 3 . . . . A 122 TYR CE1 . 31150 1 126 . 1 . 1 14 14 TYR CE2 C 13 118.012 0.000 . 3 . . . . A 122 TYR CE2 . 31150 1 127 . 1 . 1 14 14 TYR N N 15 119.734 0.000 . 1 . . . . A 122 TYR N . 31150 1 128 . 1 . 1 15 15 LEU H H 1 8.084 0.000 . 1 . . . . A 123 LEU H . 31150 1 129 . 1 . 1 15 15 LEU HA H 1 4.283 0.000 . 1 . . . . A 123 LEU HA . 31150 1 130 . 1 . 1 15 15 LEU HB2 H 1 1.475 0.000 . 2 . . . . A 123 LEU HB2 . 31150 1 131 . 1 . 1 15 15 LEU HB3 H 1 1.475 0.000 . 2 . . . . A 123 LEU HB3 . 31150 1 132 . 1 . 1 15 15 LEU HG H 1 1.421 0.000 . 1 . . . . A 123 LEU HG . 31150 1 133 . 1 . 1 15 15 LEU HD11 H 1 0.848 0.000 . 2 . . . . A 123 LEU HD11 . 31150 1 134 . 1 . 1 15 15 LEU HD12 H 1 0.848 0.000 . 2 . . . . A 123 LEU HD12 . 31150 1 135 . 1 . 1 15 15 LEU HD13 H 1 0.848 0.000 . 2 . . . . A 123 LEU HD13 . 31150 1 136 . 1 . 1 15 15 LEU HD21 H 1 0.793 0.000 . 2 . . . . A 123 LEU HD21 . 31150 1 137 . 1 . 1 15 15 LEU HD22 H 1 0.793 0.000 . 2 . . . . A 123 LEU HD22 . 31150 1 138 . 1 . 1 15 15 LEU HD23 H 1 0.793 0.000 . 2 . . . . A 123 LEU HD23 . 31150 1 139 . 1 . 1 15 15 LEU C C 13 176.409 0.000 . 1 . . . . A 123 LEU C . 31150 1 140 . 1 . 1 15 15 LEU CA C 13 54.344 0.000 . 1 . . . . A 123 LEU CA . 31150 1 141 . 1 . 1 15 15 LEU CB C 13 42.643 0.000 . 1 . . . . A 123 LEU CB . 31150 1 142 . 1 . 1 15 15 LEU CG C 13 26.814 0.000 . 1 . . . . A 123 LEU CG . 31150 1 143 . 1 . 1 15 15 LEU CD1 C 13 24.815 0.000 . 2 . . . . A 123 LEU CD1 . 31150 1 144 . 1 . 1 15 15 LEU CD2 C 13 23.310 0.000 . 2 . . . . A 123 LEU CD2 . 31150 1 145 . 1 . 1 15 15 LEU N N 15 124.965 0.000 . 1 . . . . A 123 LEU N . 31150 1 146 . 1 . 1 16 16 ASP H H 1 8.206 0.000 . 1 . . . . A 124 ASP H . 31150 1 147 . 1 . 1 16 16 ASP HA H 1 4.482 0.000 . 1 . . . . A 124 ASP HA . 31150 1 148 . 1 . 1 16 16 ASP HB2 H 1 2.685 0.000 . 2 . . . . A 124 ASP HB2 . 31150 1 149 . 1 . 1 16 16 ASP HB3 H 1 2.544 0.000 . 2 . . . . A 124 ASP HB3 . 31150 1 150 . 1 . 1 16 16 ASP C C 13 176.122 0.000 . 1 . . . . A 124 ASP C . 31150 1 151 . 1 . 1 16 16 ASP CA C 13 54.088 0.000 . 1 . . . . A 124 ASP CA . 31150 1 152 . 1 . 1 16 16 ASP CB C 13 40.975 0.000 . 1 . . . . A 124 ASP CB . 31150 1 153 . 1 . 1 16 16 ASP N N 15 121.547 0.000 . 1 . . . . A 124 ASP N . 31150 1 154 . 1 . 1 17 17 ASN H H 1 8.389 0.000 . 1 . . . . A 125 ASN H . 31150 1 155 . 1 . 1 17 17 ASN HA H 1 4.629 0.000 . 1 . . . . A 125 ASN HA . 31150 1 156 . 1 . 1 17 17 ASN HB2 H 1 2.769 0.000 . 2 . . . . A 125 ASN HB2 . 31150 1 157 . 1 . 1 17 17 ASN HB3 H 1 2.733 0.000 . 2 . . . . A 125 ASN HB3 . 31150 1 158 . 1 . 1 17 17 ASN HD21 H 1 7.638 0.000 . 2 . . . . A 125 ASN HD21 . 31150 1 159 . 1 . 1 17 17 ASN HD22 H 1 6.899 0.000 . 2 . . . . A 125 ASN HD22 . 31150 1 160 . 1 . 1 17 17 ASN C C 13 175.569 0.000 . 1 . . . . A 125 ASN C . 31150 1 161 . 1 . 1 17 17 ASN CA C 13 53.301 0.000 . 1 . . . . A 125 ASN CA . 31150 1 162 . 1 . 1 17 17 ASN CB C 13 38.659 0.000 . 1 . . . . A 125 ASN CB . 31150 1 163 . 1 . 1 17 17 ASN N N 15 119.157 0.000 . 1 . . . . A 125 ASN N . 31150 1 164 . 1 . 1 17 17 ASN ND2 N 15 113.005 0.000 . 1 . . . . A 125 ASN ND2 . 31150 1 165 . 1 . 1 18 18 GLU H H 1 8.413 0.000 . 1 . . . . A 126 GLU H . 31150 1 166 . 1 . 1 18 18 GLU HA H 1 4.214 0.000 . 1 . . . . A 126 GLU HA . 31150 1 167 . 1 . 1 18 18 GLU HB2 H 1 2.038 0.000 . 2 . . . . A 126 GLU HB2 . 31150 1 168 . 1 . 1 18 18 GLU HB3 H 1 1.954 0.000 . 2 . . . . A 126 GLU HB3 . 31150 1 169 . 1 . 1 18 18 GLU HG2 H 1 2.259 0.000 . 2 . . . . A 126 GLU HG2 . 31150 1 170 . 1 . 1 18 18 GLU HG3 H 1 2.191 0.000 . 2 . . . . A 126 GLU HG3 . 31150 1 171 . 1 . 1 18 18 GLU C C 13 176.872 0.000 . 1 . . . . A 126 GLU C . 31150 1 172 . 1 . 1 18 18 GLU CA C 13 56.670 0.000 . 1 . . . . A 126 GLU CA . 31150 1 173 . 1 . 1 18 18 GLU CB C 13 29.933 0.000 . 1 . . . . A 126 GLU CB . 31150 1 174 . 1 . 1 18 18 GLU CG C 13 36.222 0.000 . 1 . . . . A 126 GLU CG . 31150 1 175 . 1 . 1 18 18 GLU N N 15 120.666 0.000 . 1 . . . . A 126 GLU N . 31150 1 176 . 1 . 1 19 19 LYS H H 1 8.235 0.000 . 1 . . . . A 127 LYS H . 31150 1 177 . 1 . 1 19 19 LYS HA H 1 4.369 0.000 . 1 . . . . A 127 LYS HA . 31150 1 178 . 1 . 1 19 19 LYS HB2 H 1 1.832 0.000 . 2 . . . . A 127 LYS HB2 . 31150 1 179 . 1 . 1 19 19 LYS HB3 H 1 1.734 0.000 . 2 . . . . A 127 LYS HB3 . 31150 1 180 . 1 . 1 19 19 LYS HG2 H 1 1.406 0.000 . 2 . . . . A 127 LYS HG2 . 31150 1 181 . 1 . 1 19 19 LYS HG3 H 1 1.370 0.000 . 2 . . . . A 127 LYS HG3 . 31150 1 182 . 1 . 1 19 19 LYS HD2 H 1 1.630 0.000 . 2 . . . . A 127 LYS HD2 . 31150 1 183 . 1 . 1 19 19 LYS HD3 H 1 1.630 0.000 . 2 . . . . A 127 LYS HD3 . 31150 1 184 . 1 . 1 19 19 LYS HE2 H 1 2.945 0.000 . 2 . . . . A 127 LYS HE2 . 31150 1 185 . 1 . 1 19 19 LYS HE3 H 1 2.945 0.000 . 2 . . . . A 127 LYS HE3 . 31150 1 186 . 1 . 1 19 19 LYS C C 13 176.931 0.000 . 1 . . . . A 127 LYS C . 31150 1 187 . 1 . 1 19 19 LYS CA C 13 55.846 0.000 . 1 . . . . A 127 LYS CA . 31150 1 188 . 1 . 1 19 19 LYS CB C 13 33.088 0.000 . 1 . . . . A 127 LYS CB . 31150 1 189 . 1 . 1 19 19 LYS CG C 13 24.537 0.000 . 1 . . . . A 127 LYS CG . 31150 1 190 . 1 . 1 19 19 LYS CD C 13 28.816 0.000 . 1 . . . . A 127 LYS CD . 31150 1 191 . 1 . 1 19 19 LYS CE C 13 41.688 0.000 . 1 . . . . A 127 LYS CE . 31150 1 192 . 1 . 1 19 19 LYS N N 15 121.208 0.000 . 1 . . . . A 127 LYS N . 31150 1 193 . 1 . 1 20 20 SER H H 1 8.289 0.000 . 1 . . . . A 128 SER H . 31150 1 194 . 1 . 1 20 20 SER HA H 1 4.424 0.000 . 1 . . . . A 128 SER HA . 31150 1 195 . 1 . 1 20 20 SER HB2 H 1 3.840 0.000 . 2 . . . . A 128 SER HB2 . 31150 1 196 . 1 . 1 20 20 SER HB3 H 1 3.799 0.000 . 2 . . . . A 128 SER HB3 . 31150 1 197 . 1 . 1 20 20 SER C C 13 174.630 0.000 . 1 . . . . A 128 SER C . 31150 1 198 . 1 . 1 20 20 SER CA C 13 58.255 0.000 . 1 . . . . A 128 SER CA . 31150 1 199 . 1 . 1 20 20 SER CB C 13 63.406 0.000 . 1 . . . . A 128 SER CB . 31150 1 200 . 1 . 1 20 20 SER N N 15 116.174 0.000 . 1 . . . . A 128 SER N . 31150 1 201 . 1 . 1 21 21 ASN H H 1 8.479 0.000 . 1 . . . . A 129 ASN H . 31150 1 202 . 1 . 1 21 21 ASN HA H 1 4.703 0.000 . 1 . . . . A 129 ASN HA . 31150 1 203 . 1 . 1 21 21 ASN HB2 H 1 2.805 0.000 . 2 . . . . A 129 ASN HB2 . 31150 1 204 . 1 . 1 21 21 ASN HB3 H 1 2.805 0.000 . 2 . . . . A 129 ASN HB3 . 31150 1 205 . 1 . 1 21 21 ASN HD21 H 1 7.661 0.000 . 2 . . . . A 129 ASN HD21 . 31150 1 206 . 1 . 1 21 21 ASN HD22 H 1 6.947 0.000 . 2 . . . . A 129 ASN HD22 . 31150 1 207 . 1 . 1 21 21 ASN C C 13 175.804 0.000 . 1 . . . . A 129 ASN C . 31150 1 208 . 1 . 1 21 21 ASN CA C 13 53.215 0.000 . 1 . . . . A 129 ASN CA . 31150 1 209 . 1 . 1 21 21 ASN CB C 13 38.574 0.000 . 1 . . . . A 129 ASN CB . 31150 1 210 . 1 . 1 21 21 ASN N N 15 120.876 0.000 . 1 . . . . A 129 ASN N . 31150 1 211 . 1 . 1 21 21 ASN ND2 N 15 113.063 0.000 . 1 . . . . A 129 ASN ND2 . 31150 1 212 . 1 . 1 22 22 GLY H H 1 8.396 0.000 . 1 . . . . A 130 GLY H . 31150 1 213 . 1 . 1 22 22 GLY HA2 H 1 3.973 0.000 . 2 . . . . A 130 GLY HA2 . 31150 1 214 . 1 . 1 22 22 GLY HA3 H 1 3.908 0.000 . 2 . . . . A 130 GLY HA3 . 31150 1 215 . 1 . 1 22 22 GLY C C 13 174.224 0.000 . 1 . . . . A 130 GLY C . 31150 1 216 . 1 . 1 22 22 GLY CA C 13 45.028 0.000 . 1 . . . . A 130 GLY CA . 31150 1 217 . 1 . 1 22 22 GLY N N 15 108.982 0.000 . 1 . . . . A 130 GLY N . 31150 1 218 . 1 . 1 23 23 THR H H 1 8.073 0.000 . 1 . . . . A 131 THR H . 31150 1 219 . 1 . 1 23 23 THR HA H 1 4.276 0.000 . 1 . . . . A 131 THR HA . 31150 1 220 . 1 . 1 23 23 THR HB H 1 4.137 0.000 . 1 . . . . A 131 THR HB . 31150 1 221 . 1 . 1 23 23 THR HG21 H 1 1.155 0.000 . 1 . . . . A 131 THR HG21 . 31150 1 222 . 1 . 1 23 23 THR HG22 H 1 1.155 0.000 . 1 . . . . A 131 THR HG22 . 31150 1 223 . 1 . 1 23 23 THR HG23 H 1 1.155 0.000 . 1 . . . . A 131 THR HG23 . 31150 1 224 . 1 . 1 23 23 THR C C 13 174.306 0.000 . 1 . . . . A 131 THR C . 31150 1 225 . 1 . 1 23 23 THR CA C 13 62.413 0.000 . 1 . . . . A 131 THR CA . 31150 1 226 . 1 . 1 23 23 THR CB C 13 69.569 0.000 . 1 . . . . A 131 THR CB . 31150 1 227 . 1 . 1 23 23 THR CG2 C 13 21.504 0.000 . 1 . . . . A 131 THR CG2 . 31150 1 228 . 1 . 1 23 23 THR N N 15 114.548 0.000 . 1 . . . . A 131 THR N . 31150 1 229 . 1 . 1 24 24 ILE H H 1 8.211 0.000 . 1 . . . . A 132 ILE H . 31150 1 230 . 1 . 1 24 24 ILE HA H 1 4.079 0.000 . 1 . . . . A 132 ILE HA . 31150 1 231 . 1 . 1 24 24 ILE HB H 1 1.757 0.000 . 1 . . . . A 132 ILE HB . 31150 1 232 . 1 . 1 24 24 ILE HG12 H 1 1.407 0.000 . 1 . . . . A 132 ILE HG12 . 31150 1 233 . 1 . 1 24 24 ILE HG13 H 1 1.090 0.000 . 1 . . . . A 132 ILE HG13 . 31150 1 234 . 1 . 1 24 24 ILE HG21 H 1 0.687 0.000 . 1 . . . . A 132 ILE HG21 . 31150 1 235 . 1 . 1 24 24 ILE HG22 H 1 0.687 0.000 . 1 . . . . A 132 ILE HG22 . 31150 1 236 . 1 . 1 24 24 ILE HG23 H 1 0.687 0.000 . 1 . . . . A 132 ILE HG23 . 31150 1 237 . 1 . 1 24 24 ILE HD11 H 1 0.779 0.000 . 1 . . . . A 132 ILE HD11 . 31150 1 238 . 1 . 1 24 24 ILE HD12 H 1 0.779 0.000 . 1 . . . . A 132 ILE HD12 . 31150 1 239 . 1 . 1 24 24 ILE HD13 H 1 0.779 0.000 . 1 . . . . A 132 ILE HD13 . 31150 1 240 . 1 . 1 24 24 ILE C C 13 175.738 0.000 . 1 . . . . A 132 ILE C . 31150 1 241 . 1 . 1 24 24 ILE CA C 13 60.704 0.000 . 1 . . . . A 132 ILE CA . 31150 1 242 . 1 . 1 24 24 ILE CB C 13 38.325 0.000 . 1 . . . . A 132 ILE CB . 31150 1 243 . 1 . 1 24 24 ILE CG1 C 13 27.098 0.000 . 1 . . . . A 132 ILE CG1 . 31150 1 244 . 1 . 1 24 24 ILE CG2 C 13 17.061 0.000 . 1 . . . . A 132 ILE CG2 . 31150 1 245 . 1 . 1 24 24 ILE CD1 C 13 12.492 0.000 . 1 . . . . A 132 ILE CD1 . 31150 1 246 . 1 . 1 24 24 ILE N N 15 124.314 0.000 . 1 . . . . A 132 ILE N . 31150 1 247 . 1 . 1 25 25 ILE H H 1 8.261 0.000 . 1 . . . . A 133 ILE H . 31150 1 248 . 1 . 1 25 25 ILE HA H 1 4.075 0.000 . 1 . . . . A 133 ILE HA . 31150 1 249 . 1 . 1 25 25 ILE HB H 1 1.739 0.000 . 1 . . . . A 133 ILE HB . 31150 1 250 . 1 . 1 25 25 ILE HG12 H 1 1.364 0.000 . 1 . . . . A 133 ILE HG12 . 31150 1 251 . 1 . 1 25 25 ILE HG13 H 1 1.088 0.000 . 1 . . . . A 133 ILE HG13 . 31150 1 252 . 1 . 1 25 25 ILE HG21 H 1 0.777 0.000 . 1 . . . . A 133 ILE HG21 . 31150 1 253 . 1 . 1 25 25 ILE HG22 H 1 0.777 0.000 . 1 . . . . A 133 ILE HG22 . 31150 1 254 . 1 . 1 25 25 ILE HG23 H 1 0.777 0.000 . 1 . . . . A 133 ILE HG23 . 31150 1 255 . 1 . 1 25 25 ILE HD11 H 1 0.769 0.000 . 1 . . . . A 133 ILE HD11 . 31150 1 256 . 1 . 1 25 25 ILE HD12 H 1 0.769 0.000 . 1 . . . . A 133 ILE HD12 . 31150 1 257 . 1 . 1 25 25 ILE HD13 H 1 0.769 0.000 . 1 . . . . A 133 ILE HD13 . 31150 1 258 . 1 . 1 25 25 ILE C C 13 175.756 0.000 . 1 . . . . A 133 ILE C . 31150 1 259 . 1 . 1 25 25 ILE CA C 13 60.560 0.000 . 1 . . . . A 133 ILE CA . 31150 1 260 . 1 . 1 25 25 ILE CB C 13 38.254 0.000 . 1 . . . . A 133 ILE CB . 31150 1 261 . 1 . 1 25 25 ILE CG1 C 13 26.906 0.000 . 1 . . . . A 133 ILE CG1 . 31150 1 262 . 1 . 1 25 25 ILE CG2 C 13 17.068 0.000 . 1 . . . . A 133 ILE CG2 . 31150 1 263 . 1 . 1 25 25 ILE CD1 C 13 12.403 0.000 . 1 . . . . A 133 ILE CD1 . 31150 1 264 . 1 . 1 25 25 ILE N N 15 125.876 0.000 . 1 . . . . A 133 ILE N . 31150 1 265 . 1 . 1 26 26 HIS H H 1 8.539 0.000 . 1 . . . . A 134 HIS H . 31150 1 266 . 1 . 1 26 26 HIS HA H 1 4.605 0.000 . 1 . . . . A 134 HIS HA . 31150 1 267 . 1 . 1 26 26 HIS HB2 H 1 2.996 0.000 . 2 . . . . A 134 HIS HB2 . 31150 1 268 . 1 . 1 26 26 HIS HB3 H 1 2.940 0.000 . 2 . . . . A 134 HIS HB3 . 31150 1 269 . 1 . 1 26 26 HIS HD2 H 1 6.904 0.000 . 1 . . . . A 134 HIS HD2 . 31150 1 270 . 1 . 1 26 26 HIS C C 13 174.849 0.000 . 1 . . . . A 134 HIS C . 31150 1 271 . 1 . 1 26 26 HIS CA C 13 56.012 0.000 . 1 . . . . A 134 HIS CA . 31150 1 272 . 1 . 1 26 26 HIS CB C 13 31.078 0.000 . 1 . . . . A 134 HIS CB . 31150 1 273 . 1 . 1 26 26 HIS CD2 C 13 119.249 0.000 . 1 . . . . A 134 HIS CD2 . 31150 1 274 . 1 . 1 26 26 HIS N N 15 124.944 0.000 . 1 . . . . A 134 HIS N . 31150 1 275 . 1 . 1 27 27 VAL H H 1 8.316 0.000 . 1 . . . . A 135 VAL H . 31150 1 276 . 1 . 1 27 27 VAL HA H 1 4.022 0.000 . 1 . . . . A 135 VAL HA . 31150 1 277 . 1 . 1 27 27 VAL HB H 1 1.985 0.000 . 1 . . . . A 135 VAL HB . 31150 1 278 . 1 . 1 27 27 VAL HG11 H 1 0.887 0.000 . 2 . . . . A 135 VAL HG11 . 31150 1 279 . 1 . 1 27 27 VAL HG12 H 1 0.887 0.000 . 2 . . . . A 135 VAL HG12 . 31150 1 280 . 1 . 1 27 27 VAL HG13 H 1 0.887 0.000 . 2 . . . . A 135 VAL HG13 . 31150 1 281 . 1 . 1 27 27 VAL HG21 H 1 0.857 0.000 . 2 . . . . A 135 VAL HG21 . 31150 1 282 . 1 . 1 27 27 VAL HG22 H 1 0.857 0.000 . 2 . . . . A 135 VAL HG22 . 31150 1 283 . 1 . 1 27 27 VAL HG23 H 1 0.857 0.000 . 2 . . . . A 135 VAL HG23 . 31150 1 284 . 1 . 1 27 27 VAL C C 13 175.902 0.000 . 1 . . . . A 135 VAL C . 31150 1 285 . 1 . 1 27 27 VAL CA C 13 62.055 0.000 . 1 . . . . A 135 VAL CA . 31150 1 286 . 1 . 1 27 27 VAL CB C 13 32.623 0.000 . 1 . . . . A 135 VAL CB . 31150 1 287 . 1 . 1 27 27 VAL CG1 C 13 20.518 0.000 . 2 . . . . A 135 VAL CG1 . 31150 1 288 . 1 . 1 27 27 VAL CG2 C 13 20.272 0.080 . 2 . . . . A 135 VAL CG2 . 31150 1 289 . 1 . 1 27 27 VAL N N 15 123.220 0.000 . 1 . . . . A 135 VAL N . 31150 1 290 . 1 . 1 28 28 LYS H H 1 8.563 0.000 . 1 . . . . A 136 LYS H . 31150 1 291 . 1 . 1 28 28 LYS HA H 1 4.239 0.000 . 1 . . . . A 136 LYS HA . 31150 1 292 . 1 . 1 28 28 LYS HB2 H 1 1.804 0.000 . 2 . . . . A 136 LYS HB2 . 31150 1 293 . 1 . 1 28 28 LYS HB3 H 1 1.726 0.000 . 2 . . . . A 136 LYS HB3 . 31150 1 294 . 1 . 1 28 28 LYS HG2 H 1 1.450 0.000 . 2 . . . . A 136 LYS HG2 . 31150 1 295 . 1 . 1 28 28 LYS HG3 H 1 1.390 0.000 . 2 . . . . A 136 LYS HG3 . 31150 1 296 . 1 . 1 28 28 LYS HD2 H 1 1.643 0.000 . 2 . . . . A 136 LYS HD2 . 31150 1 297 . 1 . 1 28 28 LYS HD3 H 1 1.643 0.000 . 2 . . . . A 136 LYS HD3 . 31150 1 298 . 1 . 1 28 28 LYS HE2 H 1 2.945 0.000 . 2 . . . . A 136 LYS HE2 . 31150 1 299 . 1 . 1 28 28 LYS HE3 H 1 2.945 0.000 . 2 . . . . A 136 LYS HE3 . 31150 1 300 . 1 . 1 28 28 LYS C C 13 176.978 0.000 . 1 . . . . A 136 LYS C . 31150 1 301 . 1 . 1 28 28 LYS CA C 13 56.542 0.000 . 1 . . . . A 136 LYS CA . 31150 1 302 . 1 . 1 28 28 LYS CB C 13 32.545 0.000 . 1 . . . . A 136 LYS CB . 31150 1 303 . 1 . 1 28 28 LYS CG C 13 24.619 0.000 . 1 . . . . A 136 LYS CG . 31150 1 304 . 1 . 1 28 28 LYS CD C 13 28.816 0.000 . 1 . . . . A 136 LYS CD . 31150 1 305 . 1 . 1 28 28 LYS CE C 13 41.961 0.000 . 1 . . . . A 136 LYS CE . 31150 1 306 . 1 . 1 28 28 LYS N N 15 125.876 0.000 . 1 . . . . A 136 LYS N . 31150 1 307 . 1 . 1 29 29 GLY H H 1 8.523 0.000 . 1 . . . . A 137 GLY H . 31150 1 308 . 1 . 1 29 29 GLY HA2 H 1 4.008 0.000 . 2 . . . . A 137 GLY HA2 . 31150 1 309 . 1 . 1 29 29 GLY HA3 H 1 3.850 0.000 . 2 . . . . A 137 GLY HA3 . 31150 1 310 . 1 . 1 29 29 GLY C C 13 173.866 0.000 . 1 . . . . A 137 GLY C . 31150 1 311 . 1 . 1 29 29 GLY CA C 13 45.335 0.000 . 1 . . . . A 137 GLY CA . 31150 1 312 . 1 . 1 29 29 GLY N N 15 110.636 0.000 . 1 . . . . A 137 GLY N . 31150 1 313 . 1 . 1 30 30 LYS H H 1 8.224 0.000 . 1 . . . . A 138 LYS H . 31150 1 314 . 1 . 1 30 30 LYS HA H 1 4.228 0.000 . 1 . . . . A 138 LYS HA . 31150 1 315 . 1 . 1 30 30 LYS HB2 H 1 1.718 0.000 . 2 . . . . A 138 LYS HB2 . 31150 1 316 . 1 . 1 30 30 LYS HB3 H 1 1.662 0.000 . 2 . . . . A 138 LYS HB3 . 31150 1 317 . 1 . 1 30 30 LYS HG2 H 1 1.324 0.000 . 2 . . . . A 138 LYS HG2 . 31150 1 318 . 1 . 1 30 30 LYS HG3 H 1 1.288 0.000 . 2 . . . . A 138 LYS HG3 . 31150 1 319 . 1 . 1 30 30 LYS HD2 H 1 1.611 0.000 . 2 . . . . A 138 LYS HD2 . 31150 1 320 . 1 . 1 30 30 LYS HD3 H 1 1.611 0.000 . 2 . . . . A 138 LYS HD3 . 31150 1 321 . 1 . 1 30 30 LYS HE2 H 1 2.912 0.000 . 2 . . . . A 138 LYS HE2 . 31150 1 322 . 1 . 1 30 30 LYS HE3 H 1 2.912 0.000 . 2 . . . . A 138 LYS HE3 . 31150 1 323 . 1 . 1 30 30 LYS C C 13 176.305 0.000 . 1 . . . . A 138 LYS C . 31150 1 324 . 1 . 1 30 30 LYS CA C 13 56.217 0.000 . 1 . . . . A 138 LYS CA . 31150 1 325 . 1 . 1 30 30 LYS CB C 13 32.793 0.000 . 1 . . . . A 138 LYS CB . 31150 1 326 . 1 . 1 30 30 LYS CG C 13 24.485 0.000 . 1 . . . . A 138 LYS CG . 31150 1 327 . 1 . 1 30 30 LYS CD C 13 28.816 0.000 . 1 . . . . A 138 LYS CD . 31150 1 328 . 1 . 1 30 30 LYS CE C 13 41.714 0.000 . 1 . . . . A 138 LYS CE . 31150 1 329 . 1 . 1 30 30 LYS N N 15 120.876 0.000 . 1 . . . . A 138 LYS N . 31150 1 330 . 1 . 1 31 31 HIS H H 1 8.502 0.000 . 1 . . . . A 139 HIS H . 31150 1 331 . 1 . 1 31 31 HIS HA H 1 4.550 0.000 . 1 . . . . A 139 HIS HA . 31150 1 332 . 1 . 1 31 31 HIS HB2 H 1 3.023 0.000 . 2 . . . . A 139 HIS HB2 . 31150 1 333 . 1 . 1 31 31 HIS HB3 H 1 2.992 0.000 . 2 . . . . A 139 HIS HB3 . 31150 1 334 . 1 . 1 31 31 HIS HD2 H 1 6.904 0.000 . 1 . . . . A 139 HIS HD2 . 31150 1 335 . 1 . 1 31 31 HIS C C 13 174.766 0.000 . 1 . . . . A 139 HIS C . 31150 1 336 . 1 . 1 31 31 HIS CA C 13 56.181 0.000 . 1 . . . . A 139 HIS CA . 31150 1 337 . 1 . 1 31 31 HIS CB C 13 30.835 0.000 . 1 . . . . A 139 HIS CB . 31150 1 338 . 1 . 1 31 31 HIS CD2 C 13 119.336 0.000 . 1 . . . . A 139 HIS CD2 . 31150 1 339 . 1 . 1 31 31 HIS N N 15 120.563 0.000 . 1 . . . . A 139 HIS N . 31150 1 340 . 1 . 1 32 32 LEU H H 1 8.303 0.000 . 1 . . . . A 140 LEU H . 31150 1 341 . 1 . 1 32 32 LEU HA H 1 4.287 0.000 . 1 . . . . A 140 LEU HA . 31150 1 342 . 1 . 1 32 32 LEU HB2 H 1 1.557 0.000 . 2 . . . . A 140 LEU HB2 . 31150 1 343 . 1 . 1 32 32 LEU HB3 H 1 1.476 0.000 . 2 . . . . A 140 LEU HB3 . 31150 1 344 . 1 . 1 32 32 LEU HG H 1 1.358 0.000 . 1 . . . . A 140 LEU HG . 31150 1 345 . 1 . 1 32 32 LEU HD11 H 1 0.844 0.000 . 2 . . . . A 140 LEU HD11 . 31150 1 346 . 1 . 1 32 32 LEU HD12 H 1 0.844 0.000 . 2 . . . . A 140 LEU HD12 . 31150 1 347 . 1 . 1 32 32 LEU HD13 H 1 0.844 0.000 . 2 . . . . A 140 LEU HD13 . 31150 1 348 . 1 . 1 32 32 LEU HD21 H 1 0.771 0.000 . 2 . . . . A 140 LEU HD21 . 31150 1 349 . 1 . 1 32 32 LEU HD22 H 1 0.771 0.000 . 2 . . . . A 140 LEU HD22 . 31150 1 350 . 1 . 1 32 32 LEU HD23 H 1 0.771 0.000 . 2 . . . . A 140 LEU HD23 . 31150 1 351 . 1 . 1 32 32 LEU C C 13 176.762 0.000 . 1 . . . . A 140 LEU C . 31150 1 352 . 1 . 1 32 32 LEU CA C 13 54.545 0.000 . 1 . . . . A 140 LEU CA . 31150 1 353 . 1 . 1 32 32 LEU CB C 13 41.961 0.000 . 1 . . . . A 140 LEU CB . 31150 1 354 . 1 . 1 32 32 LEU CG C 13 26.703 0.000 . 1 . . . . A 140 LEU CG . 31150 1 355 . 1 . 1 32 32 LEU CD1 C 13 24.812 0.000 . 2 . . . . A 140 LEU CD1 . 31150 1 356 . 1 . 1 32 32 LEU CD2 C 13 23.476 0.000 . 2 . . . . A 140 LEU CD2 . 31150 1 357 . 1 . 1 32 32 LEU N N 15 124.234 0.000 . 1 . . . . A 140 LEU N . 31150 1 358 . 1 . 1 33 33 CYS H H 1 8.447 0.000 . 1 . . . . A 141 CYS H . 31150 1 359 . 1 . 1 33 33 CYS HA H 1 4.675 0.000 . 1 . . . . A 141 CYS HA . 31150 1 360 . 1 . 1 33 33 CYS HB2 H 1 2.865 0.000 . 2 . . . . A 141 CYS HB2 . 31150 1 361 . 1 . 1 33 33 CYS HB3 H 1 2.786 0.000 . 2 . . . . A 141 CYS HB3 . 31150 1 362 . 1 . 1 33 33 CYS C C 13 172.503 0.000 . 1 . . . . A 141 CYS C . 31150 1 363 . 1 . 1 33 33 CYS CA C 13 56.489 0.000 . 1 . . . . A 141 CYS CA . 31150 1 364 . 1 . 1 33 33 CYS CB C 13 27.314 0.000 . 1 . . . . A 141 CYS CB . 31150 1 365 . 1 . 1 33 33 CYS N N 15 122.047 0.000 . 1 . . . . A 141 CYS N . 31150 1 366 . 1 . 1 34 34 PRO HA H 1 4.413 0.000 . 1 . . . . A 142 PRO HA . 31150 1 367 . 1 . 1 34 34 PRO HB2 H 1 2.239 0.000 . 2 . . . . A 142 PRO HB2 . 31150 1 368 . 1 . 1 34 34 PRO HB3 H 1 1.887 0.000 . 2 . . . . A 142 PRO HB3 . 31150 1 369 . 1 . 1 34 34 PRO HG2 H 1 1.971 0.000 . 2 . . . . A 142 PRO HG2 . 31150 1 370 . 1 . 1 34 34 PRO HG3 H 1 1.971 0.000 . 2 . . . . A 142 PRO HG3 . 31150 1 371 . 1 . 1 34 34 PRO HD2 H 1 3.733 0.000 . 2 . . . . A 142 PRO HD2 . 31150 1 372 . 1 . 1 34 34 PRO HD3 H 1 3.733 0.000 . 2 . . . . A 142 PRO HD3 . 31150 1 373 . 1 . 1 34 34 PRO C C 13 176.527 0.000 . 1 . . . . A 142 PRO C . 31150 1 374 . 1 . 1 34 34 PRO CA C 13 63.048 0.000 . 1 . . . . A 142 PRO CA . 31150 1 375 . 1 . 1 34 34 PRO CB C 13 32.102 0.000 . 1 . . . . A 142 PRO CB . 31150 1 376 . 1 . 1 34 34 PRO CG C 13 27.048 0.000 . 1 . . . . A 142 PRO CG . 31150 1 377 . 1 . 1 34 34 PRO CD C 13 50.573 0.000 . 1 . . . . A 142 PRO CD . 31150 1 378 . 1 . 1 35 35 SER H H 1 8.451 0.000 . 1 . . . . A 143 SER H . 31150 1 379 . 1 . 1 35 35 SER HA H 1 4.710 0.000 . 1 . . . . A 143 SER HA . 31150 1 380 . 1 . 1 35 35 SER HB2 H 1 3.815 0.000 . 2 . . . . A 143 SER HB2 . 31150 1 381 . 1 . 1 35 35 SER HB3 H 1 3.815 0.000 . 2 . . . . A 143 SER HB3 . 31150 1 382 . 1 . 1 35 35 SER C C 13 172.907 0.000 . 1 . . . . A 143 SER C . 31150 1 383 . 1 . 1 35 35 SER CA C 13 56.211 0.000 . 1 . . . . A 143 SER CA . 31150 1 384 . 1 . 1 35 35 SER CB C 13 63.158 0.000 . 1 . . . . A 143 SER CB . 31150 1 385 . 1 . 1 35 35 SER N N 15 117.673 0.000 . 1 . . . . A 143 SER N . 31150 1 386 . 1 . 1 36 36 PRO HA H 1 4.271 0.000 . 1 . . . . A 144 PRO HA . 31150 1 387 . 1 . 1 36 36 PRO HB2 H 1 2.159 0.000 . 2 . . . . A 144 PRO HB2 . 31150 1 388 . 1 . 1 36 36 PRO HB3 H 1 1.757 0.000 . 2 . . . . A 144 PRO HB3 . 31150 1 389 . 1 . 1 36 36 PRO HG2 H 1 1.960 0.000 . 2 . . . . A 144 PRO HG2 . 31150 1 390 . 1 . 1 36 36 PRO HG3 H 1 1.916 0.000 . 2 . . . . A 144 PRO HG3 . 31150 1 391 . 1 . 1 36 36 PRO HD2 H 1 3.671 0.000 . 2 . . . . A 144 PRO HD2 . 31150 1 392 . 1 . 1 36 36 PRO HD3 H 1 3.597 0.000 . 2 . . . . A 144 PRO HD3 . 31150 1 393 . 1 . 1 36 36 PRO C C 13 176.544 0.000 . 1 . . . . A 144 PRO C . 31150 1 394 . 1 . 1 36 36 PRO CA C 13 62.767 0.000 . 1 . . . . A 144 PRO CA . 31150 1 395 . 1 . 1 36 36 PRO CB C 13 31.718 0.000 . 1 . . . . A 144 PRO CB . 31150 1 396 . 1 . 1 36 36 PRO CG C 13 27.167 0.000 . 1 . . . . A 144 PRO CG . 31150 1 397 . 1 . 1 36 36 PRO CD C 13 50.355 0.000 . 1 . . . . A 144 PRO CD . 31150 1 398 . 1 . 1 37 37 LEU H H 1 8.178 0.000 . 1 . . . . A 145 LEU H . 31150 1 399 . 1 . 1 37 37 LEU HA H 1 4.160 0.000 . 1 . . . . A 145 LEU HA . 31150 1 400 . 1 . 1 37 37 LEU HB2 H 1 1.471 0.000 . 2 . . . . A 145 LEU HB2 . 31150 1 401 . 1 . 1 37 37 LEU HB3 H 1 1.323 0.000 . 2 . . . . A 145 LEU HB3 . 31150 1 402 . 1 . 1 37 37 LEU HG H 1 1.468 0.000 . 1 . . . . A 145 LEU HG . 31150 1 403 . 1 . 1 37 37 LEU HD11 H 1 0.848 0.000 . 2 . . . . A 145 LEU HD11 . 31150 1 404 . 1 . 1 37 37 LEU HD12 H 1 0.848 0.000 . 2 . . . . A 145 LEU HD12 . 31150 1 405 . 1 . 1 37 37 LEU HD13 H 1 0.848 0.000 . 2 . . . . A 145 LEU HD13 . 31150 1 406 . 1 . 1 37 37 LEU HD21 H 1 0.777 0.000 . 2 . . . . A 145 LEU HD21 . 31150 1 407 . 1 . 1 37 37 LEU HD22 H 1 0.777 0.000 . 2 . . . . A 145 LEU HD22 . 31150 1 408 . 1 . 1 37 37 LEU HD23 H 1 0.777 0.000 . 2 . . . . A 145 LEU HD23 . 31150 1 409 . 1 . 1 37 37 LEU C C 13 176.653 0.000 . 1 . . . . A 145 LEU C . 31150 1 410 . 1 . 1 37 37 LEU CA C 13 55.027 0.000 . 1 . . . . A 145 LEU CA . 31150 1 411 . 1 . 1 37 37 LEU CB C 13 42.193 0.000 . 1 . . . . A 145 LEU CB . 31150 1 412 . 1 . 1 37 37 LEU CG C 13 26.814 0.000 . 1 . . . . A 145 LEU CG . 31150 1 413 . 1 . 1 37 37 LEU CD1 C 13 24.628 0.000 . 2 . . . . A 145 LEU CD1 . 31150 1 414 . 1 . 1 37 37 LEU CD2 C 13 23.187 0.000 . 2 . . . . A 145 LEU CD2 . 31150 1 415 . 1 . 1 37 37 LEU N N 15 121.345 0.000 . 1 . . . . A 145 LEU N . 31150 1 416 . 1 . 1 38 38 PHE H H 1 8.118 0.000 . 1 . . . . A 146 PHE H . 31150 1 417 . 1 . 1 38 38 PHE HA H 1 4.895 0.000 . 1 . . . . A 146 PHE HA . 31150 1 418 . 1 . 1 38 38 PHE HB2 H 1 3.111 0.000 . 2 . . . . A 146 PHE HB2 . 31150 1 419 . 1 . 1 38 38 PHE HB3 H 1 2.913 0.000 . 2 . . . . A 146 PHE HB3 . 31150 1 420 . 1 . 1 38 38 PHE HD1 H 1 7.256 0.000 . 3 . . . . A 146 PHE HD1 . 31150 1 421 . 1 . 1 38 38 PHE HD2 H 1 7.256 0.000 . 3 . . . . A 146 PHE HD2 . 31150 1 422 . 1 . 1 38 38 PHE C C 13 173.811 0.000 . 1 . . . . A 146 PHE C . 31150 1 423 . 1 . 1 38 38 PHE CA C 13 55.050 0.000 . 1 . . . . A 146 PHE CA . 31150 1 424 . 1 . 1 38 38 PHE CB C 13 39.095 0.000 . 1 . . . . A 146 PHE CB . 31150 1 425 . 1 . 1 38 38 PHE CD1 C 13 132.193 0.000 . 1 . . . . A 146 PHE CD1 . 31150 1 426 . 1 . 1 38 38 PHE CD2 C 13 132.193 0.000 . 1 . . . . A 146 PHE CD2 . 31150 1 427 . 1 . 1 38 38 PHE N N 15 120.876 0.000 . 1 . . . . A 146 PHE N . 31150 1 428 . 1 . 1 39 39 PRO HA H 1 4.419 0.000 . 1 . . . . A 147 PRO HA . 31150 1 429 . 1 . 1 39 39 PRO HB2 H 1 2.288 0.000 . 2 . . . . A 147 PRO HB2 . 31150 1 430 . 1 . 1 39 39 PRO HB3 H 1 2.216 0.000 . 2 . . . . A 147 PRO HB3 . 31150 1 431 . 1 . 1 39 39 PRO HG2 H 1 1.974 0.000 . 2 . . . . A 147 PRO HG2 . 31150 1 432 . 1 . 1 39 39 PRO HG3 H 1 1.949 0.000 . 2 . . . . A 147 PRO HG3 . 31150 1 433 . 1 . 1 39 39 PRO HD2 H 1 3.679 0.000 . 2 . . . . A 147 PRO HD2 . 31150 1 434 . 1 . 1 39 39 PRO HD3 H 1 3.535 0.000 . 2 . . . . A 147 PRO HD3 . 31150 1 435 . 1 . 1 39 39 PRO C C 13 177.060 0.000 . 1 . . . . A 147 PRO C . 31150 1 436 . 1 . 1 39 39 PRO CA C 13 62.914 0.000 . 1 . . . . A 147 PRO CA . 31150 1 437 . 1 . 1 39 39 PRO CB C 13 32.349 0.000 . 1 . . . . A 147 PRO CB . 31150 1 438 . 1 . 1 39 39 PRO CG C 13 27.173 0.000 . 1 . . . . A 147 PRO CG . 31150 1 439 . 1 . 1 39 39 PRO CD C 13 50.590 0.000 . 1 . . . . A 147 PRO CD . 31150 1 440 . 1 . 1 40 40 GLY H H 1 8.036 0.000 . 1 . . . . A 148 GLY H . 31150 1 441 . 1 . 1 40 40 GLY HA2 H 1 4.110 0.000 . 2 . . . . A 148 GLY HA2 . 31150 1 442 . 1 . 1 40 40 GLY HA3 H 1 3.994 0.000 . 2 . . . . A 148 GLY HA3 . 31150 1 443 . 1 . 1 40 40 GLY C C 13 171.527 0.000 . 1 . . . . A 148 GLY C . 31150 1 444 . 1 . 1 40 40 GLY CA C 13 44.183 0.000 . 1 . . . . A 148 GLY CA . 31150 1 445 . 1 . 1 40 40 GLY N N 15 108.961 0.000 . 1 . . . . A 148 GLY N . 31150 1 446 . 1 . 1 41 41 PRO HA H 1 4.456 0.000 . 1 . . . . A 149 PRO HA . 31150 1 447 . 1 . 1 41 41 PRO HB2 H 1 2.274 0.000 . 2 . . . . A 149 PRO HB2 . 31150 1 448 . 1 . 1 41 41 PRO HB3 H 1 1.927 0.000 . 2 . . . . A 149 PRO HB3 . 31150 1 449 . 1 . 1 41 41 PRO HG2 H 1 1.998 0.000 . 2 . . . . A 149 PRO HG2 . 31150 1 450 . 1 . 1 41 41 PRO HG3 H 1 1.998 0.000 . 2 . . . . A 149 PRO HG3 . 31150 1 451 . 1 . 1 41 41 PRO HD2 H 1 3.615 0.000 . 2 . . . . A 149 PRO HD2 . 31150 1 452 . 1 . 1 41 41 PRO HD3 H 1 3.615 0.000 . 2 . . . . A 149 PRO HD3 . 31150 1 453 . 1 . 1 41 41 PRO C C 13 177.170 0.000 . 1 . . . . A 149 PRO C . 31150 1 454 . 1 . 1 41 41 PRO CA C 13 63.032 0.000 . 1 . . . . A 149 PRO CA . 31150 1 455 . 1 . 1 41 41 PRO CB C 13 32.132 0.000 . 1 . . . . A 149 PRO CB . 31150 1 456 . 1 . 1 41 41 PRO CG C 13 27.035 0.000 . 1 . . . . A 149 PRO CG . 31150 1 457 . 1 . 1 41 41 PRO CD C 13 49.548 0.000 . 1 . . . . A 149 PRO CD . 31150 1 458 . 1 . 1 42 42 SER H H 1 8.509 0.000 . 1 . . . . A 150 SER H . 31150 1 459 . 1 . 1 42 42 SER HA H 1 4.383 0.000 . 1 . . . . A 150 SER HA . 31150 1 460 . 1 . 1 42 42 SER HB2 H 1 3.811 0.000 . 2 . . . . A 150 SER HB2 . 31150 1 461 . 1 . 1 42 42 SER HB3 H 1 3.811 0.000 . 2 . . . . A 150 SER HB3 . 31150 1 462 . 1 . 1 42 42 SER C C 13 174.003 0.000 . 1 . . . . A 150 SER C . 31150 1 463 . 1 . 1 42 42 SER CA C 13 58.209 0.000 . 1 . . . . A 150 SER CA . 31150 1 464 . 1 . 1 42 42 SER CB C 13 63.545 0.000 . 1 . . . . A 150 SER CB . 31150 1 465 . 1 . 1 42 42 SER N N 15 116.932 0.000 . 1 . . . . A 150 SER N . 31150 1 466 . 1 . 1 43 43 LYS H H 1 8.357 0.000 . 1 . . . . A 151 LYS H . 31150 1 467 . 1 . 1 43 43 LYS HA H 1 4.601 0.000 . 1 . . . . A 151 LYS HA . 31150 1 468 . 1 . 1 43 43 LYS HB2 H 1 1.826 0.000 . 2 . . . . A 151 LYS HB2 . 31150 1 469 . 1 . 1 43 43 LYS HB3 H 1 1.697 0.000 . 2 . . . . A 151 LYS HB3 . 31150 1 470 . 1 . 1 43 43 LYS HG2 H 1 1.437 0.000 . 2 . . . . A 151 LYS HG2 . 31150 1 471 . 1 . 1 43 43 LYS HG3 H 1 1.437 0.000 . 2 . . . . A 151 LYS HG3 . 31150 1 472 . 1 . 1 43 43 LYS HD2 H 1 1.644 0.000 . 2 . . . . A 151 LYS HD2 . 31150 1 473 . 1 . 1 43 43 LYS HD3 H 1 1.644 0.000 . 2 . . . . A 151 LYS HD3 . 31150 1 474 . 1 . 1 43 43 LYS HE2 H 1 2.947 0.000 . 2 . . . . A 151 LYS HE2 . 31150 1 475 . 1 . 1 43 43 LYS HE3 H 1 2.947 0.000 . 2 . . . . A 151 LYS HE3 . 31150 1 476 . 1 . 1 43 43 LYS C C 13 173.577 0.000 . 1 . . . . A 151 LYS C . 31150 1 477 . 1 . 1 43 43 LYS CA C 13 53.844 0.000 . 1 . . . . A 151 LYS CA . 31150 1 478 . 1 . 1 43 43 LYS CB C 13 32.319 0.000 . 1 . . . . A 151 LYS CB . 31150 1 479 . 1 . 1 43 43 LYS CG C 13 24.462 0.000 . 1 . . . . A 151 LYS CG . 31150 1 480 . 1 . 1 43 43 LYS CD C 13 28.632 0.000 . 1 . . . . A 151 LYS CD . 31150 1 481 . 1 . 1 43 43 LYS N N 15 124.782 0.000 . 1 . . . . A 151 LYS N . 31150 1 482 . 1 . 1 44 44 PRO HA H 1 4.193 0.000 . 1 . . . . A 152 PRO HA . 31150 1 483 . 1 . 1 44 44 PRO HB2 H 1 2.184 0.000 . 2 . . . . A 152 PRO HB2 . 31150 1 484 . 1 . 1 44 44 PRO HB3 H 1 1.854 0.000 . 2 . . . . A 152 PRO HB3 . 31150 1 485 . 1 . 1 44 44 PRO HG2 H 1 1.910 0.000 . 2 . . . . A 152 PRO HG2 . 31150 1 486 . 1 . 1 44 44 PRO HG3 H 1 1.910 0.000 . 2 . . . . A 152 PRO HG3 . 31150 1 487 . 1 . 1 44 44 PRO HD2 H 1 3.615 0.000 . 2 . . . . A 152 PRO HD2 . 31150 1 488 . 1 . 1 44 44 PRO HD3 H 1 3.740 0.000 . 2 . . . . A 152 PRO HD3 . 31150 1 489 . 1 . 1 44 44 PRO CA C 13 64.639 0.000 . 1 . . . . A 152 PRO CA . 31150 1 490 . 1 . 1 44 44 PRO CB C 13 31.609 0.000 . 1 . . . . A 152 PRO CB . 31150 1 491 . 1 . 1 44 44 PRO CG C 13 26.926 0.000 . 1 . . . . A 152 PRO CG . 31150 1 492 . 1 . 1 44 44 PRO CD C 13 50.097 0.000 . 1 . . . . A 152 PRO CD . 31150 1 stop_ save_