################################### # 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 52035 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FapA _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' . . . 52035 1 2 '3D HNCACB' . . . 52035 1 3 '3D HN(CO)CACB' . . . 52035 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52035 1 2 $software_2 . . 52035 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER CA C 13 58.740 0.02 . 1 . . . . . 26 SER CA . 52035 1 2 . 1 . 1 1 1 SER CB C 13 63.761 0.06 . 1 . . . . . 26 SER CB . 52035 1 3 . 1 . 1 2 2 GLY H H 1 8.582 0.00 . 1 . . . . . 27 GLY H . 52035 1 4 . 1 . 1 2 2 GLY CA C 13 45.377 0.03 . 1 . . . . . 27 GLY CA . 52035 1 5 . 1 . 1 2 2 GLY N N 15 111.043 0.03 . 1 . . . . . 27 GLY N . 52035 1 6 . 1 . 1 3 3 THR H H 1 8.252 0.00 . 1 . . . . . 28 THR H . 52035 1 7 . 1 . 1 3 3 THR CA C 13 62.040 0.04 . 1 . . . . . 28 THR CA . 52035 1 8 . 1 . 1 3 3 THR CB C 13 69.684 0.02 . 1 . . . . . 28 THR CB . 52035 1 9 . 1 . 1 3 3 THR N N 15 113.692 0.00 . 1 . . . . . 28 THR N . 52035 1 10 . 1 . 1 4 4 GLU H H 1 8.750 0.00 . 1 . . . . . 29 GLU H . 52035 1 11 . 1 . 1 4 4 GLU CA C 13 56.669 0.09 . 1 . . . . . 29 GLU CA . 52035 1 12 . 1 . 1 4 4 GLU CB C 13 29.930 0.03 . 1 . . . . . 29 GLU CB . 52035 1 13 . 1 . 1 4 4 GLU N N 15 123.299 0.01 . 1 . . . . . 29 GLU N . 52035 1 14 . 1 . 1 5 5 ASP H H 1 8.453 0.00 . 1 . . . . . 30 ASP H . 52035 1 15 . 1 . 1 5 5 ASP CA C 13 54.751 0.11 . 1 . . . . . 30 ASP CA . 52035 1 16 . 1 . 1 5 5 ASP CB C 13 41.143 0.04 . 1 . . . . . 30 ASP CB . 52035 1 17 . 1 . 1 5 5 ASP N N 15 121.466 0.01 . 1 . . . . . 30 ASP N . 52035 1 18 . 1 . 1 6 6 GLY H H 1 8.446 0.00 . 1 . . . . . 31 GLY H . 52035 1 19 . 1 . 1 6 6 GLY CA C 13 45.385 0.04 . 1 . . . . . 31 GLY CA . 52035 1 20 . 1 . 1 6 6 GLY N N 15 109.193 0.00 . 1 . . . . . 31 GLY N . 52035 1 21 . 1 . 1 7 7 ILE H H 1 8.060 0.00 . 1 . . . . . 32 ILE H . 52035 1 22 . 1 . 1 7 7 ILE CA C 13 61.228 0.04 . 1 . . . . . 32 ILE CA . 52035 1 23 . 1 . 1 7 7 ILE CB C 13 38.365 0.03 . 1 . . . . . 32 ILE CB . 52035 1 24 . 1 . 1 7 7 ILE N N 15 120.842 0.01 . 1 . . . . . 32 ILE N . 52035 1 25 . 1 . 1 8 8 ILE H H 1 8.502 0.00 . 1 . . . . . 33 ILE H . 52035 1 26 . 1 . 1 8 8 ILE CA C 13 60.999 0.03 . 1 . . . . . 33 ILE CA . 52035 1 27 . 1 . 1 8 8 ILE CB C 13 38.289 0.04 . 1 . . . . . 33 ILE CB . 52035 1 28 . 1 . 1 8 8 ILE N N 15 126.995 0.01 . 1 . . . . . 33 ILE N . 52035 1 29 . 1 . 1 9 9 VAL H H 1 8.577 0.00 . 1 . . . . . 34 VAL H . 52035 1 30 . 1 . 1 9 9 VAL CA C 13 62.383 0.18 . 1 . . . . . 34 VAL CA . 52035 1 31 . 1 . 1 9 9 VAL CB C 13 32.662 0.02 . 1 . . . . . 34 VAL CB . 52035 1 32 . 1 . 1 9 9 VAL N N 15 126.688 0.00 . 1 . . . . . 34 VAL N . 52035 1 33 . 1 . 1 10 10 THR H H 1 8.459 0.00 . 1 . . . . . 35 THR H . 52035 1 34 . 1 . 1 10 10 THR CA C 13 62.156 0.20 . 1 . . . . . 35 THR CA . 52035 1 35 . 1 . 1 10 10 THR CB C 13 70.002 0.03 . 1 . . . . . 35 THR CB . 52035 1 36 . 1 . 1 10 10 THR N N 15 119.158 0.04 . 1 . . . . . 35 THR N . 52035 1 37 . 1 . 1 11 11 GLY H H 1 8.637 0.00 . 1 . . . . . 36 GLY H . 52035 1 38 . 1 . 1 11 11 GLY CA C 13 45.297 0.07 . 1 . . . . . 36 GLY CA . 52035 1 39 . 1 . 1 11 11 GLY N N 15 111.470 0.01 . 1 . . . . . 36 GLY N . 52035 1 40 . 1 . 1 12 12 ARG H H 1 8.314 0.00 . 1 . . . . . 37 ARG H . 52035 1 41 . 1 . 1 12 12 ARG CA C 13 56.017 0.01 . 1 . . . . . 37 ARG CA . 52035 1 42 . 1 . 1 12 12 ARG CB C 13 30.871 0.03 . 1 . . . . . 37 ARG CB . 52035 1 43 . 1 . 1 12 12 ARG N N 15 120.514 0.00 . 1 . . . . . 37 ARG N . 52035 1 44 . 1 . 1 13 13 ASN H H 1 8.704 0.00 . 1 . . . . . 38 ASN H . 52035 1 45 . 1 . 1 13 13 ASN CA C 13 53.088 0.08 . 1 . . . . . 38 ASN CA . 52035 1 46 . 1 . 1 13 13 ASN CB C 13 38.619 0.075 . 1 . . . . . 38 ASN CB . 52035 1 47 . 1 . 1 13 13 ASN N N 15 120.353 0.01 . 1 . . . . . 38 ASN N . 52035 1 48 . 1 . 1 14 14 VAL H H 1 8.294 0.00 . 1 . . . . . 39 VAL H . 52035 1 49 . 1 . 1 14 14 VAL CA C 13 62.816 0.16 . 1 . . . . . 39 VAL CA . 52035 1 50 . 1 . 1 14 14 VAL CB C 13 32.697 0.125 . 1 . . . . . 39 VAL CB . 52035 1 51 . 1 . 1 14 14 VAL N N 15 120.747 0.03 . 1 . . . . . 39 VAL N . 52035 1 52 . 1 . 1 15 15 GLN H H 1 8.561 0.00 . 1 . . . . . 40 GLN H . 52035 1 53 . 1 . 1 15 15 GLN CA C 13 56.161 0.113 . 1 . . . . . 40 GLN CA . 52035 1 54 . 1 . 1 15 15 GLN CB C 13 29.267 0.055 . 1 . . . . . 40 GLN CB . 52035 1 55 . 1 . 1 15 15 GLN N N 15 123.732 0.03 . 1 . . . . . 40 GLN N . 52035 1 56 . 1 . 1 16 16 GLY H H 1 8.371 0.17 . 1 . . . . . 41 GLY H . 52035 1 57 . 1 . 1 16 16 GLY CA C 13 45.138 0.02 . 1 . . . . . 41 GLY CA . 52035 1 58 . 1 . 1 16 16 GLY N N 15 110.228 0.01 . 1 . . . . . 41 GLY N . 52035 1 59 . 1 . 1 17 17 PHE H H 1 8.183 0.003 . 1 . . . . . 42 PHE H . 52035 1 60 . 1 . 1 17 17 PHE CA C 13 57.883 0.02 . 1 . . . . . 42 PHE CA . 52035 1 61 . 1 . 1 17 17 PHE CB C 13 39.603 0.08 . 1 . . . . . 42 PHE CB . 52035 1 62 . 1 . 1 17 17 PHE N N 15 120.306 0.03 . 1 . . . . . 42 PHE N . 52035 1 63 . 1 . 1 18 18 MET H H 1 8.427 0.00 . 1 . . . . . 43 MET H . 52035 1 64 . 1 . 1 18 18 MET CA C 13 55.012 0.10 . 1 . . . . . 43 MET CA . 52035 1 65 . 1 . 1 18 18 MET CB C 13 32.739 0.13 . 1 . . . . . 43 MET CB . 52035 1 66 . 1 . 1 18 18 MET N N 15 122.979 0.02 . 1 . . . . . 43 MET N . 52035 1 67 . 1 . 1 19 19 VAL H H 1 8.273 0.00 . 1 . . . . . 44 VAL H . 52035 1 68 . 1 . 1 19 19 VAL CA C 13 62.804 0.03 . 1 . . . . . 44 VAL CA . 52035 1 69 . 1 . 1 19 19 VAL N N 15 122.607 0.02 . 1 . . . . . 44 VAL N . 52035 1 70 . 1 . 1 20 20 GLY H H 1 8.686 0.00 . 1 . . . . . 45 GLY H . 52035 1 71 . 1 . 1 20 20 GLY CA C 13 45.004 0.01 . 1 . . . . . 45 GLY CA . 52035 1 72 . 1 . 1 20 20 GLY N N 15 113.128 0.01 . 1 . . . . . 45 GLY N . 52035 1 73 . 1 . 1 21 21 ARG H H 1 8.314 0.00 . 1 . . . . . 46 ARG H . 52035 1 74 . 1 . 1 21 21 ARG CA C 13 53.769 0.00 . 1 . . . . . 46 ARG CA . 52035 1 75 . 1 . 1 21 21 ARG CB C 13 30.445 0.00 . 1 . . . . . 46 ARG CB . 52035 1 76 . 1 . 1 21 21 ARG N N 15 121.681 0.05 . 1 . . . . . 46 ARG N . 52035 1 77 . 1 . 1 22 22 PRO CA C 13 62.720 0.12 . 1 . . . . . 47 PRO CA . 52035 1 78 . 1 . 1 22 22 PRO CB C 13 32.265 0.02 . 1 . . . . . 47 PRO CB . 52035 1 79 . 1 . 1 23 23 SER H H 1 8.530 0.00 . 1 . . . . . 48 SER H . 52035 1 80 . 1 . 1 23 23 SER CA C 13 57.994 0.02 . 1 . . . . . 48 SER CA . 52035 1 81 . 1 . 1 23 23 SER CB C 13 63.991 0.19 . 1 . . . . . 48 SER CB . 52035 1 82 . 1 . 1 23 23 SER N N 15 116.268 0.03 . 1 . . . . . 48 SER N . 52035 1 83 . 1 . 1 24 24 PHE H H 1 8.419 0.00 . 1 . . . . . 49 PHE H . 52035 1 84 . 1 . 1 24 24 PHE CA C 13 57.862 0.06 . 1 . . . . . 49 PHE CA . 52035 1 85 . 1 . 1 24 24 PHE CB C 13 39.562 0.07 . 1 . . . . . 49 PHE CB . 52035 1 86 . 1 . 1 24 24 PHE N N 15 122.123 0.04 . 1 . . . . . 49 PHE N . 52035 1 87 . 1 . 1 25 25 GLY H H 1 8.479 0.00 . 1 . . . . . 50 GLY H . 52035 1 88 . 1 . 1 25 25 GLY CA C 13 45.078 0.04 . 1 . . . . . 50 GLY CA . 52035 1 89 . 1 . 1 25 25 GLY N N 15 110.883 0.01 . 1 . . . . . 50 GLY N . 52035 1 90 . 1 . 1 26 26 LYS H H 1 8.495 0.00 . 1 . . . . . 51 LYS H . 52035 1 91 . 1 . 1 26 26 LYS CA C 13 55.862 0.08 . 1 . . . . . 51 LYS CA . 52035 1 92 . 1 . 1 26 26 LYS CB C 13 33.096 0.02 . 1 . . . . . 51 LYS CB . 52035 1 93 . 1 . 1 26 26 LYS N N 15 121.609 0.01 . 1 . . . . . 51 LYS N . 52035 1 94 . 1 . 1 27 27 ASP H H 1 8.524 0.00 . 1 . . . . . 52 ASP H . 52035 1 95 . 1 . 1 27 27 ASP CA C 13 52.466 0.00 . 1 . . . . . 52 ASP CA . 52035 1 96 . 1 . 1 27 27 ASP CB C 13 40.870 0.00 . 1 . . . . . 52 ASP CB . 52035 1 97 . 1 . 1 27 27 ASP N N 15 123.952 0.02 . 1 . . . . . 52 ASP N . 52035 1 98 . 1 . 1 28 28 PRO CA C 13 63.166 0.00 . 1 . . . . . 53 PRO CA . 52035 1 99 . 1 . 1 28 28 PRO CB C 13 31.746 0.00 . 1 . . . . . 53 PRO CB . 52035 1 100 . 1 . 1 29 29 TYR H H 1 8.320 0.00 . 1 . . . . . 54 TYR H . 52035 1 101 . 1 . 1 29 29 TYR CA C 13 55.816 0.00 . 1 . . . . . 54 TYR CA . 52035 1 102 . 1 . 1 29 29 TYR CB C 13 38.282 0.00 . 1 . . . . . 54 TYR CB . 52035 1 103 . 1 . 1 29 29 TYR N N 15 121.077 0.02 . 1 . . . . . 54 TYR N . 52035 1 104 . 1 . 1 30 30 PRO CA C 13 63.162 0.00 . 1 . . . . . 55 PRO CA . 52035 1 105 . 1 . 1 30 30 PRO CB C 13 32.155 0.08 . 1 . . . . . 55 PRO CB . 52035 1 106 . 1 . 1 31 31 SER H H 1 8.656 0.00 . 1 . . . . . 56 SER H . 52035 1 107 . 1 . 1 31 31 SER CA C 13 58.422 0.01 . 1 . . . . . 56 SER CA . 52035 1 108 . 1 . 1 31 31 SER CB C 13 63.884 0.11 . 1 . . . . . 56 SER CB . 52035 1 109 . 1 . 1 31 31 SER N N 15 116.778 0.00 . 1 . . . . . 56 SER N . 52035 1 110 . 1 . 1 32 32 THR H H 1 8.373 0.00 . 1 . . . . . 57 THR H . 52035 1 111 . 1 . 1 32 32 THR CA C 13 61.884 0.03 . 1 . . . . . 57 THR CA . 52035 1 112 . 1 . 1 32 32 THR CB C 13 69.641 0.02 . 1 . . . . . 57 THR CB . 52035 1 113 . 1 . 1 32 32 THR N N 15 116.127 0.01 . 1 . . . . . 57 THR N . 52035 1 114 . 1 . 1 33 33 ALA H H 1 8.410 0.00 . 1 . . . . . 58 ALA H . 52035 1 115 . 1 . 1 33 33 ALA CA C 13 52.809 0.03 . 1 . . . . . 58 ALA CA . 52035 1 116 . 1 . 1 33 33 ALA CB C 13 19.083 0.01 . 1 . . . . . 58 ALA CB . 52035 1 117 . 1 . 1 33 33 ALA N N 15 126.195 0.01 . 1 . . . . . 58 ALA N . 52035 1 118 . 1 . 1 34 34 ASN H H 1 8.487 0.00 . 1 . . . . . 59 ASN H . 52035 1 119 . 1 . 1 34 34 ASN CA C 13 53.072 0.05 . 1 . . . . . 59 ASN CA . 52035 1 120 . 1 . 1 34 34 ASN CB C 13 38.840 0.03 . 1 . . . . . 59 ASN CB . 52035 1 121 . 1 . 1 34 34 ASN N N 15 118.104 0.01 . 1 . . . . . 59 ASN N . 52035 1 122 . 1 . 1 35 35 ALA H H 1 8.363 0.00 . 1 . . . . . 60 ALA H . 52035 1 123 . 1 . 1 35 35 ALA CA C 13 52.577 0.07 . 1 . . . . . 60 ALA CA . 52035 1 124 . 1 . 1 35 35 ALA CB C 13 19.201 0.03 . 1 . . . . . 60 ALA CB . 52035 1 125 . 1 . 1 35 35 ALA N N 15 124.514 0.01 . 1 . . . . . 60 ALA N . 52035 1 126 . 1 . 1 36 36 ASN H H 1 8.582 0.00 . 1 . . . . . 61 ASN H . 52035 1 127 . 1 . 1 36 36 ASN CA C 13 51.816 0.00 . 1 . . . . . 61 ASN CA . 52035 1 128 . 1 . 1 36 36 ASN CB C 13 38.705 0.00 . 1 . . . . . 61 ASN CB . 52035 1 129 . 1 . 1 36 36 ASN N N 15 118.917 0.01 . 1 . . . . . 61 ASN N . 52035 1 130 . 1 . 1 37 37 PRO CA C 13 63.773 0.00 . 1 . . . . . 62 PRO CA . 52035 1 131 . 1 . 1 37 37 PRO CB C 13 32.170 0.04 . 1 . . . . . 62 PRO CB . 52035 1 132 . 1 . 1 38 38 SER H H 1 8.507 0.00 . 1 . . . . . 63 SER H . 52035 1 133 . 1 . 1 38 38 SER CA C 13 58.859 0.09 . 1 . . . . . 63 SER CA . 52035 1 134 . 1 . 1 38 38 SER CB C 13 63.506 0.06 . 1 . . . . . 63 SER CB . 52035 1 135 . 1 . 1 38 38 SER N N 15 115.616 0.01 . 1 . . . . . 63 SER N . 52035 1 136 . 1 . 1 39 39 GLN H H 1 8.374 0.00 . 1 . . . . . 64 GLN H . 52035 1 137 . 1 . 1 39 39 GLN CA C 13 55.832 0.01 . 1 . . . . . 64 GLN CA . 52035 1 138 . 1 . 1 39 39 GLN CB C 13 29.320 0.01 . 1 . . . . . 64 GLN CB . 52035 1 139 . 1 . 1 39 39 GLN N N 15 121.979 0.04 . 1 . . . . . 64 GLN N . 52035 1 140 . 1 . 1 40 40 GLN H H 1 8.424 0.00 . 1 . . . . . 65 GLN H . 52035 1 141 . 1 . 1 40 40 GLN CA C 13 56.225 0.21 . 1 . . . . . 65 GLN CA . 52035 1 142 . 1 . 1 40 40 GLN CB C 13 29.418 0.03 . 1 . . . . . 65 GLN CB . 52035 1 143 . 1 . 1 40 40 GLN N N 15 121.769 0.02 . 1 . . . . . 65 GLN N . 52035 1 144 . 1 . 1 41 41 ILE H H 1 8.346 0.00 . 1 . . . . . 66 ILE H . 52035 1 145 . 1 . 1 41 41 ILE CA C 13 61.283 0.02 . 1 . . . . . 66 ILE CA . 52035 1 146 . 1 . 1 41 41 ILE CB C 13 38.359 0.11 . 1 . . . . . 66 ILE CB . 52035 1 147 . 1 . 1 41 41 ILE N N 15 123.196 0.01 . 1 . . . . . 66 ILE N . 52035 1 148 . 1 . 1 42 42 LEU H H 1 8.485 0.00 . 1 . . . . . 67 LEU H . 52035 1 149 . 1 . 1 42 42 LEU CA C 13 55.026 0.08 . 1 . . . . . 67 LEU CA . 52035 1 150 . 1 . 1 42 42 LEU CB C 13 42.272 0.00 . 1 . . . . . 67 LEU CB . 52035 1 151 . 1 . 1 42 42 LEU N N 15 127.076 0.01 . 1 . . . . . 67 LEU N . 52035 1 152 . 1 . 1 43 43 ARG H H 1 8.478 0.00 . 1 . . . . . 68 ARG H . 52035 1 153 . 1 . 1 43 43 ARG CA C 13 55.845 0.10 . 1 . . . . . 68 ARG CA . 52035 1 154 . 1 . 1 43 43 ARG CB C 13 30.928 0.01 . 1 . . . . . 68 ARG CB . 52035 1 155 . 1 . 1 43 43 ARG N N 15 122.912 0.01 . 1 . . . . . 68 ARG N . 52035 1 156 . 1 . 1 44 44 ALA H H 1 8.580 0.00 . 1 . . . . . 69 ALA H . 52035 1 157 . 1 . 1 44 44 ALA CA C 13 52.585 0.02 . 1 . . . . . 69 ALA CA . 52035 1 158 . 1 . 1 44 44 ALA CB C 13 19.207 0.05 . 1 . . . . . 69 ALA CB . 52035 1 159 . 1 . 1 44 44 ALA N N 15 126.225 0.03 . 1 . . . . . 69 ALA N . 52035 1 160 . 1 . 1 45 45 THR H H 1 8.396 0.00 . 1 . . . . . 70 THR H . 52035 1 161 . 1 . 1 45 45 THR CA C 13 62.076 0.09 . 1 . . . . . 70 THR CA . 52035 1 162 . 1 . 1 45 45 THR CB C 13 70.071 0.06 . 1 . . . . . 70 THR CB . 52035 1 163 . 1 . 1 45 45 THR N N 15 113.362 0.01 . 1 . . . . . 70 THR N . 52035 1 164 . 1 . 1 46 46 GLY H H 1 8.606 0.01 . 1 . . . . . 71 GLY H . 52035 1 165 . 1 . 1 46 46 GLY CA C 13 45.400 0.12 . 1 . . . . . 71 GLY CA . 52035 1 166 . 1 . 1 46 46 GLY N N 15 111.283 0.05 . 1 . . . . . 71 GLY N . 52035 1 167 . 1 . 1 47 47 GLY H H 1 8.394 0.00 . 1 . . . . . 72 GLY H . 52035 1 168 . 1 . 1 47 47 GLY CA C 13 45.151 0.05 . 1 . . . . . 72 GLY CA . 52035 1 169 . 1 . 1 47 47 GLY N N 15 108.761 0.00 . 1 . . . . . 72 GLY N . 52035 1 170 . 1 . 1 48 48 GLU H H 1 8.641 0.00 . 1 . . . . . 73 GLU H . 52035 1 171 . 1 . 1 48 48 GLU CA C 13 56.701 0.00 . 1 . . . . . 73 GLU CA . 52035 1 172 . 1 . 1 48 48 GLU CB C 13 30.211 0.07 . 1 . . . . . 73 GLU CB . 52035 1 173 . 1 . 1 48 48 GLU N N 15 120.736 0.01 . 1 . . . . . 73 GLU N . 52035 1 174 . 1 . 1 49 49 LEU H H 1 8.558 0.00 . 1 . . . . . 74 LEU H . 52035 1 175 . 1 . 1 49 49 LEU CA C 13 55.334 0.14 . 1 . . . . . 74 LEU CA . 52035 1 176 . 1 . 1 49 49 LEU CB C 13 42.228 0.03 . 1 . . . . . 74 LEU CB . 52035 1 177 . 1 . 1 49 49 LEU N N 15 123.220 0.02 . 1 . . . . . 74 LEU N . 52035 1 178 . 1 . 1 50 50 SER H H 1 8.499 0.00 . 1 . . . . . 75 SER H . 52035 1 179 . 1 . 1 50 50 SER CA C 13 58.414 0.26 . 1 . . . . . 75 SER CA . 52035 1 180 . 1 . 1 50 50 SER CB C 13 64.011 0.03 . 1 . . . . . 75 SER CB . 52035 1 181 . 1 . 1 50 50 SER N N 15 116.582 0.04 . 1 . . . . . 75 SER N . 52035 1 182 . 1 . 1 51 51 ASP H H 1 8.517 0.00 . 1 . . . . . 76 ASP H . 52035 1 183 . 1 . 1 51 51 ASP CA C 13 54.708 0.04 . 1 . . . . . 76 ASP CA . 52035 1 184 . 1 . 1 51 51 ASP CB C 13 40.912 0.04 . 1 . . . . . 76 ASP CB . 52035 1 185 . 1 . 1 51 51 ASP N N 15 122.596 0.01 . 1 . . . . . 76 ASP N . 52035 1 186 . 1 . 1 52 52 ASN H H 1 8.436 0.00 . 1 . . . . . 77 ASN H . 52035 1 187 . 1 . 1 52 52 ASN CA C 13 53.513 0.00 . 1 . . . . . 77 ASN CA . 52035 1 188 . 1 . 1 52 52 ASN CB C 13 39.043 0.07 . 1 . . . . . 77 ASN CB . 52035 1 189 . 1 . 1 52 52 ASN N N 15 118.733 0.00 . 1 . . . . . 77 ASN N . 52035 1 190 . 1 . 1 53 53 ASP H H 1 8.330 0.00 . 1 . . . . . 78 ASP H . 52035 1 191 . 1 . 1 53 53 ASP CA C 13 54.630 0.08 . 1 . . . . . 78 ASP CA . 52035 1 192 . 1 . 1 53 53 ASP CB C 13 40.713 0.13 . 1 . . . . . 78 ASP CB . 52035 1 193 . 1 . 1 53 53 ASP N N 15 120.573 0.02 . 1 . . . . . 78 ASP N . 52035 1 194 . 1 . 1 54 54 PHE H H 1 8.248 0.00 . 1 . . . . . 79 PHE H . 52035 1 195 . 1 . 1 54 54 PHE CA C 13 58.311 0.07 . 1 . . . . . 79 PHE CA . 52035 1 196 . 1 . 1 54 54 PHE CB C 13 39.159 0.03 . 1 . . . . . 79 PHE CB . 52035 1 197 . 1 . 1 54 54 PHE N N 15 120.728 0.00 . 1 . . . . . 79 PHE N . 52035 1 198 . 1 . 1 55 55 ALA H H 1 8.312 0.00 . 1 . . . . . 80 ALA H . 52035 1 199 . 1 . 1 55 55 ALA CA C 13 52.797 0.03 . 1 . . . . . 80 ALA CA . 52035 1 200 . 1 . 1 55 55 ALA CB C 13 18.989 0.03 . 1 . . . . . 80 ALA CB . 52035 1 201 . 1 . 1 55 55 ALA N N 15 125.256 0.01 . 1 . . . . . 80 ALA N . 52035 1 202 . 1 . 1 56 56 GLY H H 1 7.961 0.00 . 1 . . . . . 81 GLY H . 52035 1 203 . 1 . 1 56 56 GLY CA C 13 45.307 0.05 . 1 . . . . . 81 GLY CA . 52035 1 204 . 1 . 1 56 56 GLY N N 15 107.646 0.01 . 1 . . . . . 81 GLY N . 52035 1 205 . 1 . 1 57 57 VAL H H 1 8.162 0.00 . 1 . . . . . 82 VAL H . 52035 1 206 . 1 . 1 57 57 VAL CA C 13 62.426 0.17 . 1 . . . . . 82 VAL CA . 52035 1 207 . 1 . 1 57 57 VAL CB C 13 32.801 0.07 . 1 . . . . . 82 VAL CB . 52035 1 208 . 1 . 1 57 57 VAL N N 15 119.590 0.00 . 1 . . . . . 82 VAL N . 52035 1 209 . 1 . 1 58 58 SER H H 1 8.680 0.00 . 1 . . . . . 83 SER H . 52035 1 210 . 1 . 1 58 58 SER CA C 13 58.347 0.07 . 1 . . . . . 83 SER CA . 52035 1 211 . 1 . 1 58 58 SER CB C 13 63.813 0.04 . 1 . . . . . 83 SER CB . 52035 1 212 . 1 . 1 58 58 SER N N 15 119.906 0.01 . 1 . . . . . 83 SER N . 52035 1 213 . 1 . 1 59 59 SER H H 1 8.593 0.00 . 1 . . . . . 84 SER H . 52035 1 214 . 1 . 1 59 59 SER CA C 13 58.607 0.06 . 1 . . . . . 84 SER CA . 52035 1 215 . 1 . 1 59 59 SER CB C 13 63.757 0.00 . 1 . . . . . 84 SER CB . 52035 1 216 . 1 . 1 59 59 SER N N 15 118.613 0.02 . 1 . . . . . 84 SER N . 52035 1 217 . 1 . 1 60 60 GLY H H 1 8.667 0.00 . 1 . . . . . 85 GLY H . 52035 1 218 . 1 . 1 60 60 GLY CA C 13 45.284 0.04 . 1 . . . . . 85 GLY CA . 52035 1 219 . 1 . 1 60 60 GLY N N 15 111.823 0.01 . 1 . . . . . 85 GLY N . 52035 1 220 . 1 . 1 61 61 SER H H 1 8.329 0.00 . 1 . . . . . 86 SER H . 52035 1 221 . 1 . 1 61 61 SER CA C 13 58.413 0.03 . 1 . . . . . 86 SER CA . 52035 1 222 . 1 . 1 61 61 SER CB C 13 63.924 0.09 . 1 . . . . . 86 SER CB . 52035 1 223 . 1 . 1 61 61 SER N N 15 115.912 0.01 . 1 . . . . . 86 SER N . 52035 1 224 . 1 . 1 62 62 THR H H 1 8.415 0.00 . 1 . . . . . 87 THR H . 52035 1 225 . 1 . 1 62 62 THR CA C 13 62.256 0.04 . 1 . . . . . 87 THR CA . 52035 1 226 . 1 . 1 62 62 THR CB C 13 69.677 0.01 . 1 . . . . . 87 THR CB . 52035 1 227 . 1 . 1 62 62 THR N N 15 116.922 0.02 . 1 . . . . . 87 THR N . 52035 1 228 . 1 . 1 63 63 ILE H H 1 8.329 0.00 . 1 . . . . . 88 ILE H . 52035 1 229 . 1 . 1 63 63 ILE CA C 13 61.288 0.05 . 1 . . . . . 88 ILE CA . 52035 1 230 . 1 . 1 63 63 ILE CB C 13 38.669 0.02 . 1 . . . . . 88 ILE CB . 52035 1 231 . 1 . 1 63 63 ILE N N 15 124.096 0.01 . 1 . . . . . 88 ILE N . 52035 1 232 . 1 . 1 64 64 THR H H 1 8.448 0.00 . 1 . . . . . 89 THR H . 52035 1 233 . 1 . 1 64 64 THR CA C 13 62.064 0.11 . 1 . . . . . 89 THR CA . 52035 1 234 . 1 . 1 64 64 THR CB C 13 69.626 0.12 . 1 . . . . . 89 THR CB . 52035 1 235 . 1 . 1 64 64 THR N N 15 120.343 0.01 . 1 . . . . . 89 THR N . 52035 1 236 . 1 . 1 65 65 ARG H H 1 8.514 0.00 . 1 . . . . . 90 ARG H . 52035 1 237 . 1 . 1 65 65 ARG CA C 13 55.770 0.03 . 1 . . . . . 90 ARG CA . 52035 1 238 . 1 . 1 65 65 ARG CB C 13 31.023 0.04 . 1 . . . . . 90 ARG CB . 52035 1 239 . 1 . 1 65 65 ARG N N 15 124.872 0.02 . 1 . . . . . 90 ARG N . 52035 1 240 . 1 . 1 66 66 ALA H H 1 8.491 0.00 . 1 . . . . . 91 ALA H . 52035 1 241 . 1 . 1 66 66 ALA CA C 13 52.312 0.00 . 1 . . . . . 91 ALA CA . 52035 1 242 . 1 . 1 66 66 ALA CB C 13 19.109 0.01 . 1 . . . . . 91 ALA CB . 52035 1 243 . 1 . 1 66 66 ALA N N 15 126.310 0.03 . 1 . . . . . 91 ALA N . 52035 1 244 . 1 . 1 67 67 ILE H H 1 8.360 0.00 . 1 . . . . . 92 ILE H . 52035 1 245 . 1 . 1 67 67 ILE CA C 13 60.887 0.01 . 1 . . . . . 92 ILE CA . 52035 1 246 . 1 . 1 67 67 ILE CB C 13 38.624 0.08 . 1 . . . . . 92 ILE CB . 52035 1 247 . 1 . 1 67 67 ILE N N 15 121.326 0.01 . 1 . . . . . 92 ILE N . 52035 1 248 . 1 . 1 68 68 LEU H H 1 8.617 0.00 . 1 . . . . . 93 LEU H . 52035 1 249 . 1 . 1 68 68 LEU CA C 13 52.874 0.00 . 1 . . . . . 93 LEU CA . 52035 1 250 . 1 . 1 68 68 LEU CB C 13 41.437 0.00 . 1 . . . . . 93 LEU CB . 52035 1 251 . 1 . 1 68 68 LEU N N 15 128.795 0.01 . 1 . . . . . 93 LEU N . 52035 1 252 . 1 . 1 69 69 PRO CA C 13 62.831 0.00 . 1 . . . . . 94 PRO CA . 52035 1 253 . 1 . 1 69 69 PRO CB C 13 31.950 0.15 . 1 . . . . . 94 PRO CB . 52035 1 254 . 1 . 1 70 70 ASN H H 1 8.606 0.00 . 1 . . . . . 95 ASN H . 52035 1 255 . 1 . 1 70 70 ASN CA C 13 53.349 0.07 . 1 . . . . . 95 ASN CA . 52035 1 256 . 1 . 1 70 70 ASN CB C 13 38.729 0.10 . 1 . . . . . 95 ASN CB . 52035 1 257 . 1 . 1 70 70 ASN N N 15 118.453 0.02 . 1 . . . . . 95 ASN N . 52035 1 258 . 1 . 1 71 71 GLY H H 1 8.493 0.00 . 1 . . . . . 96 GLY H . 52035 1 259 . 1 . 1 71 71 GLY CA C 13 45.318 0.03 . 1 . . . . . 96 GLY CA . 52035 1 260 . 1 . 1 71 71 GLY N N 15 109.764 0.01 . 1 . . . . . 96 GLY N . 52035 1 261 . 1 . 1 72 72 ASP H H 1 8.332 0.00 . 1 . . . . . 97 ASP H . 52035 1 262 . 1 . 1 72 72 ASP CA C 13 54.228 0.00 . 1 . . . . . 97 ASP CA . 52035 1 263 . 1 . 1 72 72 ASP CB C 13 41.106 0.01 . 1 . . . . . 97 ASP CB . 52035 1 264 . 1 . 1 72 72 ASP N N 15 120.611 0.03 . 1 . . . . . 97 ASP N . 52035 1 265 . 1 . 1 73 73 LEU H H 1 8.315 0.00 . 1 . . . . . 98 LEU H . 52035 1 266 . 1 . 1 73 73 LEU CA C 13 53.411 0.00 . 1 . . . . . 98 LEU CA . 52035 1 267 . 1 . 1 73 73 LEU CB C 13 41.435 0.00 . 1 . . . . . 98 LEU CB . 52035 1 268 . 1 . 1 73 73 LEU N N 15 123.316 0.02 . 1 . . . . . 98 LEU N . 52035 1 269 . 1 . 1 74 74 PRO CA C 13 63.376 0.04 . 1 . . . . . 99 PRO CA . 52035 1 270 . 1 . 1 74 74 PRO CB C 13 32.112 0.03 . 1 . . . . . 99 PRO CB . 52035 1 271 . 1 . 1 75 75 GLY H H 1 8.593 0.00 . 1 . . . . . 100 GLY H . 52035 1 272 . 1 . 1 75 75 GLY CA C 13 45.169 0.10 . 1 . . . . . 100 GLY CA . 52035 1 273 . 1 . 1 75 75 GLY N N 15 109.171 0.01 . 1 . . . . . 100 GLY N . 52035 1 274 . 1 . 1 76 76 LEU H H 1 8.279 0.00 . 1 . . . . . 101 LEU H . 52035 1 275 . 1 . 1 76 76 LEU CA C 13 55.235 0.04 . 1 . . . . . 101 LEU CA . 52035 1 276 . 1 . 1 76 76 LEU CB C 13 42.564 0.15 . 1 . . . . . 101 LEU CB . 52035 1 277 . 1 . 1 76 76 LEU N N 15 121.694 0.05 . 1 . . . . . 101 LEU N . 52035 1 278 . 1 . 1 77 77 SER H H 1 8.510 0.00 . 1 . . . . . 102 SER H . 52035 1 279 . 1 . 1 77 77 SER CA C 13 58.529 0.00 . 1 . . . . . 102 SER CA . 52035 1 280 . 1 . 1 77 77 SER CB C 13 63.658 0.08 . 1 . . . . . 102 SER CB . 52035 1 281 . 1 . 1 77 77 SER N N 15 116.444 0.00 . 1 . . . . . 102 SER N . 52035 1 282 . 1 . 1 78 78 ASN H H 1 8.619 0.00 . 1 . . . . . 103 ASN H . 52035 1 283 . 1 . 1 78 78 ASN CA C 13 53.379 0.07 . 1 . . . . . 103 ASN CA . 52035 1 284 . 1 . 1 78 78 ASN CB C 13 38.801 0.02 . 1 . . . . . 103 ASN CB . 52035 1 285 . 1 . 1 78 78 ASN N N 15 121.122 0.01 . 1 . . . . . 103 ASN N . 52035 1 286 . 1 . 1 79 79 THR H H 1 8.302 0.00 . 1 . . . . . 104 THR H . 52035 1 287 . 1 . 1 79 79 THR CA C 13 62.266 0.06 . 1 . . . . . 104 THR CA . 52035 1 288 . 1 . 1 79 79 THR CB C 13 69.614 0.05 . 1 . . . . . 104 THR CB . 52035 1 289 . 1 . 1 79 79 THR N N 15 114.446 0.01 . 1 . . . . . 104 THR N . 52035 1 290 . 1 . 1 80 80 LEU H H 1 8.383 0.00 . 1 . . . . . 105 LEU H . 52035 1 291 . 1 . 1 80 80 LEU CA C 13 55.468 0.09 . 1 . . . . . 105 LEU CA . 52035 1 292 . 1 . 1 80 80 LEU CB C 13 42.112 0.21 . 1 . . . . . 105 LEU CB . 52035 1 293 . 1 . 1 80 80 LEU N N 15 124.056 0.02 . 1 . . . . . 105 LEU N . 52035 1 294 . 1 . 1 81 81 GLY H H 1 8.504 0.00 . 1 . . . . . 106 GLY H . 52035 1 295 . 1 . 1 81 81 GLY CA C 13 45.229 0.03 . 1 . . . . . 106 GLY CA . 52035 1 296 . 1 . 1 81 81 GLY N N 15 109.516 0.00 . 1 . . . . . 106 GLY N . 52035 1 297 . 1 . 1 82 82 ASN H H 1 8.432 0.00 . 1 . . . . . 107 ASN H . 52035 1 298 . 1 . 1 82 82 ASN CA C 13 53.166 0.02 . 1 . . . . . 107 ASN CA . 52035 1 299 . 1 . 1 82 82 ASN CB C 13 38.812 0.00 . 1 . . . . . 107 ASN CB . 52035 1 300 . 1 . 1 82 82 ASN N N 15 118.816 0.00 . 1 . . . . . 107 ASN N . 52035 1 301 . 1 . 1 83 83 ASN H H 1 8.661 0.00 . 1 . . . . . 108 ASN H . 52035 1 302 . 1 . 1 83 83 ASN CA C 13 53.370 0.01 . 1 . . . . . 108 ASN CA . 52035 1 303 . 1 . 1 83 83 ASN CB C 13 38.745 0.09 . 1 . . . . . 108 ASN CB . 52035 1 304 . 1 . 1 83 83 ASN N N 15 119.721 0.00 . 1 . . . . . 108 ASN N . 52035 1 305 . 1 . 1 84 84 SER H H 1 8.464 0.00 . 1 . . . . . 109 SER H . 52035 1 306 . 1 . 1 84 84 SER CA C 13 59.069 0.13 . 1 . . . . . 109 SER CA . 52035 1 307 . 1 . 1 84 84 SER CB C 13 63.583 0.03 . 1 . . . . . 109 SER CB . 52035 1 308 . 1 . 1 84 84 SER N N 15 116.536 0.01 . 1 . . . . . 109 SER N . 52035 1 309 . 1 . 1 85 85 ALA H H 1 8.462 0.00 . 1 . . . . . 110 ALA H . 52035 1 310 . 1 . 1 85 85 ALA CA C 13 52.855 0.03 . 1 . . . . . 110 ALA CA . 52035 1 311 . 1 . 1 85 85 ALA CB C 13 19.040 0.02 . 1 . . . . . 110 ALA CB . 52035 1 312 . 1 . 1 85 85 ALA N N 15 125.665 0.01 . 1 . . . . . 110 ALA N . 52035 1 313 . 1 . 1 86 86 GLY H H 1 8.392 0.00 . 1 . . . . . 111 GLY H . 52035 1 314 . 1 . 1 86 86 GLY CA C 13 45.249 0.08 . 1 . . . . . 111 GLY CA . 52035 1 315 . 1 . 1 86 86 GLY N N 15 107.822 0.01 . 1 . . . . . 111 GLY N . 52035 1 316 . 1 . 1 87 87 LEU H H 1 8.284 0.00 . 1 . . . . . 112 LEU H . 52035 1 317 . 1 . 1 87 87 LEU CA C 13 55.285 0.03 . 1 . . . . . 112 LEU CA . 52035 1 318 . 1 . 1 87 87 LEU CB C 13 42.165 0.18 . 1 . . . . . 112 LEU CB . 52035 1 319 . 1 . 1 87 87 LEU N N 15 121.562 0.00 . 1 . . . . . 112 LEU N . 52035 1 320 . 1 . 1 88 88 GLY H H 1 8.630 0.00 . 1 . . . . . 113 GLY H . 52035 1 321 . 1 . 1 88 88 GLY CA C 13 45.217 0.04 . 1 . . . . . 113 GLY CA . 52035 1 322 . 1 . 1 88 88 GLY N N 15 109.891 0.01 . 1 . . . . . 113 GLY N . 52035 1 323 . 1 . 1 89 89 ALA H H 1 8.402 0.00 . 1 . . . . . 114 ALA H . 52035 1 324 . 1 . 1 89 89 ALA CA C 13 52.883 0.03 . 1 . . . . . 114 ALA CA . 52035 1 325 . 1 . 1 89 89 ALA CB C 13 19.128 0.03 . 1 . . . . . 114 ALA CB . 52035 1 326 . 1 . 1 89 89 ALA N N 15 124.098 0.01 . 1 . . . . . 114 ALA N . 52035 1 327 . 1 . 1 90 90 GLY H H 1 8.593 0.00 . 1 . . . . . 115 GLY H . 52035 1 328 . 1 . 1 90 90 GLY CA C 13 45.273 0.03 . 1 . . . . . 115 GLY CA . 52035 1 329 . 1 . 1 90 90 GLY N N 15 108.435 0.01 . 1 . . . . . 115 GLY N . 52035 1 330 . 1 . 1 91 91 ALA H H 1 8.220 0.00 . 1 . . . . . 116 ALA H . 52035 1 331 . 1 . 1 91 91 ALA CA C 13 52.644 0.01 . 1 . . . . . 116 ALA CA . 52035 1 332 . 1 . 1 91 91 ALA CB C 13 19.181 0.02 . 1 . . . . . 116 ALA CB . 52035 1 333 . 1 . 1 91 91 ALA N N 15 123.925 0.03 . 1 . . . . . 116 ALA N . 52035 1 334 . 1 . 1 92 92 ALA H H 1 8.423 0.00 . 1 . . . . . 117 ALA H . 52035 1 335 . 1 . 1 92 92 ALA CA C 13 52.459 0.10 . 1 . . . . . 117 ALA CA . 52035 1 336 . 1 . 1 92 92 ALA CB C 13 18.994 0.05 . 1 . . . . . 117 ALA CB . 52035 1 337 . 1 . 1 92 92 ALA N N 15 123.346 0.00 . 1 . . . . . 117 ALA N . 52035 1 338 . 1 . 1 93 93 ALA H H 1 8.346 0.00 . 1 . . . . . 118 ALA H . 52035 1 339 . 1 . 1 93 93 ALA CA C 13 52.716 0.08 . 1 . . . . . 118 ALA CA . 52035 1 340 . 1 . 1 93 93 ALA CB C 13 19.052 0.02 . 1 . . . . . 118 ALA CB . 52035 1 341 . 1 . 1 93 93 ALA N N 15 123.269 0.01 . 1 . . . . . 118 ALA N . 52035 1 342 . 1 . 1 94 94 GLY H H 1 8.434 0.00 . 1 . . . . . 119 GLY H . 52035 1 343 . 1 . 1 94 94 GLY CA C 13 45.172 0.04 . 1 . . . . . 119 GLY CA . 52035 1 344 . 1 . 1 94 94 GLY N N 15 108.013 0.01 . 1 . . . . . 119 GLY N . 52035 1 345 . 1 . 1 95 95 HIS H H 1 8.289 0.00 . 1 . . . . . 120 HIS H . 52035 1 346 . 1 . 1 95 95 HIS CA C 13 56.233 0.04 . 1 . . . . . 120 HIS CA . 52035 1 347 . 1 . 1 95 95 HIS CB C 13 30.629 0.02 . 1 . . . . . 120 HIS CB . 52035 1 348 . 1 . 1 95 95 HIS N N 15 119.492 0.01 . 1 . . . . . 120 HIS N . 52035 1 349 . 1 . 1 96 96 ALA H H 1 8.545 0.00 . 1 . . . . . 121 ALA H . 52035 1 350 . 1 . 1 96 96 ALA CA C 13 52.665 0.04 . 1 . . . . . 121 ALA CA . 52035 1 351 . 1 . 1 96 96 ALA CB C 13 19.075 0.01 . 1 . . . . . 121 ALA CB . 52035 1 352 . 1 . 1 96 96 ALA N N 15 125.989 0.01 . 1 . . . . . 121 ALA N . 52035 1 353 . 1 . 1 97 97 SER H H 1 8.586 0.00 . 1 . . . . . 122 SER H . 52035 1 354 . 1 . 1 97 97 SER CA C 13 58.703 0.09 . 1 . . . . . 122 SER CA . 52035 1 355 . 1 . 1 97 97 SER CB C 13 63.862 0.02 . 1 . . . . . 122 SER CB . 52035 1 356 . 1 . 1 97 97 SER N N 15 115.690 0.01 . 1 . . . . . 122 SER N . 52035 1 357 . 1 . 1 98 98 GLY H H 1 8.564 0.00 . 1 . . . . . 123 GLY H . 52035 1 358 . 1 . 1 98 98 GLY CA C 13 45.424 0.01 . 1 . . . . . 123 GLY CA . 52035 1 359 . 1 . 1 98 98 GLY N N 15 110.856 0.01 . 1 . . . . . 123 GLY N . 52035 1 360 . 1 . 1 99 99 ASN H H 1 8.441 0.00 . 1 . . . . . 124 ASN H . 52035 1 361 . 1 . 1 99 99 ASN CA C 13 53.321 0.19 . 1 . . . . . 124 ASN CA . 52035 1 362 . 1 . 1 99 99 ASN CB C 13 39.008 0.07 . 1 . . . . . 124 ASN CB . 52035 1 363 . 1 . 1 99 99 ASN N N 15 118.820 0.02 . 1 . . . . . 124 ASN N . 52035 1 364 . 1 . 1 100 100 SER H H 1 8.528 0.00 . 1 . . . . . 125 SER H . 52035 1 365 . 1 . 1 100 100 SER CA C 13 58.850 0.16 . 1 . . . . . 125 SER CA . 52035 1 366 . 1 . 1 100 100 SER CB C 13 63.674 0.08 . 1 . . . . . 125 SER CB . 52035 1 367 . 1 . 1 100 100 SER N N 15 116.714 0.02 . 1 . . . . . 125 SER N . 52035 1 368 . 1 . 1 101 101 LEU H H 1 8.511 0.00 . 1 . . . . . 126 LEU H . 52035 1 369 . 1 . 1 101 101 LEU CA C 13 55.415 0.07 . 1 . . . . . 126 LEU CA . 52035 1 370 . 1 . 1 101 101 LEU CB C 13 42.042 0.05 . 1 . . . . . 126 LEU CB . 52035 1 371 . 1 . 1 101 101 LEU N N 15 124.020 0.02 . 1 . . . . . 126 LEU N . 52035 1 372 . 1 . 1 102 102 GLY H H 1 8.525 0.00 . 1 . . . . . 127 GLY H . 52035 1 373 . 1 . 1 102 102 GLY CA C 13 45.429 0.04 . 1 . . . . . 127 GLY CA . 52035 1 374 . 1 . 1 102 102 GLY N N 15 109.578 0.00 . 1 . . . . . 127 GLY N . 52035 1 375 . 1 . 1 103 103 GLY H H 1 8.469 0.00 . 1 . . . . . 128 GLY H . 52035 1 376 . 1 . 1 103 103 GLY CA C 13 45.141 0.03 . 1 . . . . . 128 GLY CA . 52035 1 377 . 1 . 1 103 103 GLY N N 15 109.134 0.00 . 1 . . . . . 128 GLY N . 52035 1 378 . 1 . 1 104 104 GLN H H 1 8.397 0.00 . 1 . . . . . 129 GLN H . 52035 1 379 . 1 . 1 104 104 GLN CA C 13 55.594 0.14 . 1 . . . . . 129 GLN CA . 52035 1 380 . 1 . 1 104 104 GLN CB C 13 29.470 0.02 . 1 . . . . . 129 GLN CB . 52035 1 381 . 1 . 1 104 104 GLN N N 15 120.056 0.00 . 1 . . . . . 129 GLN N . 52035 1 382 . 1 . 1 105 105 ILE H H 1 8.497 0.00 . 1 . . . . . 130 ILE H . 52035 1 383 . 1 . 1 105 105 ILE CA C 13 61.373 0.21 . 1 . . . . . 130 ILE CA . 52035 1 384 . 1 . 1 105 105 ILE CB C 13 38.711 0.06 . 1 . . . . . 130 ILE CB . 52035 1 385 . 1 . 1 105 105 ILE N N 15 123.014 0.03 . 1 . . . . . 130 ILE N . 52035 1 386 . 1 . 1 106 106 SER H H 1 8.652 0.00 . 1 . . . . . 131 SER H . 52035 1 387 . 1 . 1 106 106 SER CA C 13 58.679 0.19 . 1 . . . . . 131 SER CA . 52035 1 388 . 1 . 1 106 106 SER CB C 13 63.815 0.05 . 1 . . . . . 131 SER CB . 52035 1 389 . 1 . 1 106 106 SER N N 15 120.813 0.01 . 1 . . . . . 131 SER N . 52035 1 390 . 1 . 1 107 107 GLY H H 1 8.866 0.00 . 1 . . . . . 132 GLY H . 52035 1 391 . 1 . 1 107 107 GLY CA C 13 45.356 0.01 . 1 . . . . . 132 GLY CA . 52035 1 392 . 1 . 1 107 107 GLY N N 15 111.861 0.01 . 1 . . . . . 132 GLY N . 52035 1 393 . 1 . 1 108 108 SER H H 1 8.334 0.00 . 1 . . . . . 133 SER H . 52035 1 394 . 1 . 1 108 108 SER CA C 13 58.389 0.04 . 1 . . . . . 133 SER CA . 52035 1 395 . 1 . 1 108 108 SER CB C 13 63.845 0.02 . 1 . . . . . 133 SER CB . 52035 1 396 . 1 . 1 108 108 SER N N 15 115.816 0.02 . 1 . . . . . 133 SER N . 52035 1 397 . 1 . 1 109 109 ILE H H 1 8.382 0.00 . 1 . . . . . 134 ILE H . 52035 1 398 . 1 . 1 109 109 ILE CA C 13 61.368 0.10 . 1 . . . . . 134 ILE CA . 52035 1 399 . 1 . 1 109 109 ILE CB C 13 38.784 0.02 . 1 . . . . . 134 ILE CB . 52035 1 400 . 1 . 1 109 109 ILE N N 15 122.833 0.03 . 1 . . . . . 134 ILE N . 52035 1 401 . 1 . 1 110 110 GLU H H 1 8.640 0.00 . 1 . . . . . 135 GLU H . 52035 1 402 . 1 . 1 110 110 GLU CA C 13 56.596 0.01 . 1 . . . . . 135 GLU CA . 52035 1 403 . 1 . 1 110 110 GLU CB C 13 30.107 0.00 . 1 . . . . . 135 GLU CB . 52035 1 404 . 1 . 1 110 110 GLU N N 15 125.474 0.02 . 1 . . . . . 135 GLU N . 52035 1 405 . 1 . 1 111 111 ARG H H 1 8.603 0.00 . 1 . . . . . 136 ARG H . 52035 1 406 . 1 . 1 111 111 ARG CA C 13 56.495 0.30 . 1 . . . . . 136 ARG CA . 52035 1 407 . 1 . 1 111 111 ARG CB C 13 30.734 0.12 . 1 . . . . . 136 ARG CB . 52035 1 408 . 1 . 1 111 111 ARG N N 15 123.252 0.00 . 1 . . . . . 136 ARG N . 52035 1 409 . 1 . 1 112 112 GLY H H 1 8.551 0.00 . 1 . . . . . 137 GLY H . 52035 1 410 . 1 . 1 112 112 GLY CA C 13 45.097 0.03 . 1 . . . . . 137 GLY CA . 52035 1 411 . 1 . 1 112 112 GLY N N 15 109.808 0.04 . 1 . . . . . 137 GLY N . 52035 1 412 . 1 . 1 113 113 LEU H H 1 8.232 0.00 . 1 . . . . . 138 LEU H . 52035 1 413 . 1 . 1 113 113 LEU CA C 13 54.658 0.07 . 1 . . . . . 138 LEU CA . 52035 1 414 . 1 . 1 113 113 LEU CB C 13 42.619 0.23 . 1 . . . . . 138 LEU CB . 52035 1 415 . 1 . 1 113 113 LEU N N 15 121.580 0.04 . 1 . . . . . 138 LEU N . 52035 1 416 . 1 . 1 114 114 ALA H H 1 8.412 0.00 . 1 . . . . . 139 ALA H . 52035 1 417 . 1 . 1 114 114 ALA CA C 13 50.848 0.00 . 1 . . . . . 139 ALA CA . 52035 1 418 . 1 . 1 114 114 ALA CB C 13 17.680 0.00 . 1 . . . . . 139 ALA CB . 52035 1 419 . 1 . 1 114 114 ALA N N 15 126.625 0.02 . 1 . . . . . 139 ALA N . 52035 1 420 . 1 . 1 115 115 PRO CA C 13 62.891 0.04 . 1 . . . . . 140 PRO CA . 52035 1 421 . 1 . 1 115 115 PRO CB C 13 32.017 0.18 . 1 . . . . . 140 PRO CB . 52035 1 422 . 1 . 1 116 116 LEU H H 1 8.553 0.00 . 1 . . . . . 141 LEU H . 52035 1 423 . 1 . 1 116 116 LEU CA C 13 55.308 0.07 . 1 . . . . . 141 LEU CA . 52035 1 424 . 1 . 1 116 116 LEU CB C 13 42.321 0.06 . 1 . . . . . 141 LEU CB . 52035 1 425 . 1 . 1 116 116 LEU N N 15 122.634 0.04 . 1 . . . . . 141 LEU N . 52035 1 426 . 1 . 1 117 117 ASN H H 1 8.567 0.00 . 1 . . . . . 142 ASN H . 52035 1 427 . 1 . 1 117 117 ASN CA C 13 52.877 0.01 . 1 . . . . . 142 ASN CA . 52035 1 428 . 1 . 1 117 117 ASN CB C 13 38.908 0.04 . 1 . . . . . 142 ASN CB . 52035 1 429 . 1 . 1 117 117 ASN N N 15 119.119 0.01 . 1 . . . . . 142 ASN N . 52035 1 430 . 1 . 1 118 118 ASN H H 1 8.536 0.00 . 1 . . . . . 143 ASN H . 52035 1 431 . 1 . 1 118 118 ASN CA C 13 53.176 0.02 . 1 . . . . . 143 ASN CA . 52035 1 432 . 1 . 1 118 118 ASN CB C 13 38.677 0.07 . 1 . . . . . 143 ASN CB . 52035 1 433 . 1 . 1 118 118 ASN N N 15 119.344 0.02 . 1 . . . . . 143 ASN N . 52035 1 434 . 1 . 1 119 119 ILE H H 1 8.242 0.00 . 1 . . . . . 144 ILE H . 52035 1 435 . 1 . 1 119 119 ILE CA C 13 61.766 0.10 . 1 . . . . . 144 ILE CA . 52035 1 436 . 1 . 1 119 119 ILE CB C 13 38.375 0.04 . 1 . . . . . 144 ILE CB . 52035 1 437 . 1 . 1 119 119 ILE N N 15 121.119 0.02 . 1 . . . . . 144 ILE N . 52035 1 438 . 1 . 1 120 120 GLY H H 1 8.617 0.00 . 1 . . . . . 145 GLY H . 52035 1 439 . 1 . 1 120 120 GLY CA C 13 45.360 0.02 . 1 . . . . . 145 GLY CA . 52035 1 440 . 1 . 1 120 120 GLY N N 15 112.782 0.01 . 1 . . . . . 145 GLY N . 52035 1 441 . 1 . 1 121 121 ALA H H 1 8.214 0.00 . 1 . . . . . 146 ALA H . 52035 1 442 . 1 . 1 121 121 ALA CA C 13 52.555 0.05 . 1 . . . . . 146 ALA CA . 52035 1 443 . 1 . 1 121 121 ALA CB C 13 19.191 0.08 . 1 . . . . . 146 ALA CB . 52035 1 444 . 1 . 1 121 121 ALA N N 15 123.742 0.00 . 1 . . . . . 146 ALA N . 52035 1 445 . 1 . 1 122 122 MET H H 1 8.454 0.00 . 1 . . . . . 147 MET H . 52035 1 446 . 1 . 1 122 122 MET CA C 13 55.563 0.07 . 1 . . . . . 147 MET CA . 52035 1 447 . 1 . 1 122 122 MET CB C 13 32.713 0.14 . 1 . . . . . 147 MET CB . 52035 1 448 . 1 . 1 122 122 MET N N 15 119.211 0.02 . 1 . . . . . 147 MET N . 52035 1 449 . 1 . 1 123 123 MET H H 1 8.462 0.00 . 1 . . . . . 148 MET H . 52035 1 450 . 1 . 1 123 123 MET CA C 13 55.752 0.18 . 1 . . . . . 148 MET CA . 52035 1 451 . 1 . 1 123 123 MET CB C 13 32.584 0.05 . 1 . . . . . 148 MET CB . 52035 1 452 . 1 . 1 123 123 MET N N 15 121.567 0.00 . 1 . . . . . 148 MET N . 52035 1 453 . 1 . 1 124 124 GLY H H 1 8.542 0.00 . 1 . . . . . 149 GLY H . 52035 1 454 . 1 . 1 124 124 GLY CA C 13 45.109 0.04 . 1 . . . . . 149 GLY CA . 52035 1 455 . 1 . 1 124 124 GLY N N 15 110.444 0.02 . 1 . . . . . 149 GLY N . 52035 1 456 . 1 . 1 125 125 VAL H H 1 8.134 0.00 . 1 . . . . . 150 VAL H . 52035 1 457 . 1 . 1 125 125 VAL CA C 13 62.202 0.04 . 1 . . . . . 150 VAL CA . 52035 1 458 . 1 . 1 125 125 VAL CB C 13 32.701 0.03 . 1 . . . . . 150 VAL CB . 52035 1 459 . 1 . 1 125 125 VAL N N 15 119.825 0.02 . 1 . . . . . 150 VAL N . 52035 1 460 . 1 . 1 126 126 GLN H H 1 8.654 0.00 . 1 . . . . . 151 GLN H . 52035 1 461 . 1 . 1 126 126 GLN CA C 13 53.402 0.00 . 1 . . . . . 151 GLN CA . 52035 1 462 . 1 . 1 126 126 GLN CB C 13 28.899 0.00 . 1 . . . . . 151 GLN CB . 52035 1 463 . 1 . 1 126 126 GLN N N 15 126.414 0.00 . 1 . . . . . 151 GLN N . 52035 1 464 . 1 . 1 127 127 PRO CA C 13 63.303 0.01 . 1 . . . . . 152 PRO CA . 52035 1 465 . 1 . 1 127 127 PRO CB C 13 31.542 0.05 . 1 . . . . . 152 PRO CB . 52035 1 466 . 1 . 1 128 128 TRP H H 1 7.585 0.00 . 1 . . . . . 153 TRP H . 52035 1 467 . 1 . 1 128 128 TRP HE1 H 1 10.143 0.00 . 1 . . . . . 153 TRP HE1 . 52035 1 468 . 1 . 1 128 128 TRP CA C 13 58.388 0.00 . 1 . . . . . 153 TRP CA . 52035 1 469 . 1 . 1 128 128 TRP CB C 13 29.854 0.00 . 1 . . . . . 153 TRP CB . 52035 1 470 . 1 . 1 128 128 TRP N N 15 125.740 0.01 . 1 . . . . . 153 TRP N . 52035 1 471 . 1 . 1 128 128 TRP NE1 N 15 129.037 0.03 . 1 . . . . . 153 TRP NE1 . 52035 1 stop_ save_