################################### # 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 53108 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR Nt L26P' _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' . . . 53108 1 2 '3D HNCO' . . . 53108 1 3 '3D HNCA' . . . 53108 1 4 '3D HN(CA)CO' . . . 53108 1 5 '3D HNCACB' . . . 53108 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 . . 53108 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 MET C C 13 176.228 0.000 . 1 . . . . . 1 MET C . 53108 1 2 . 1 . 1 1 1 MET CA C 13 55.557 0.000 . 1 . . . . . 1 MET CA . 53108 1 3 . 1 . 1 2 2 GLU H H 1 8.859 0.001 . 1 . . . . . 2 GLU H . 53108 1 4 . 1 . 1 2 2 GLU C C 13 176.594 0.004 . 1 . . . . . 2 GLU C . 53108 1 5 . 1 . 1 2 2 GLU CA C 13 56.878 0.000 . 1 . . . . . 2 GLU CA . 53108 1 6 . 1 . 1 2 2 GLU N N 15 123.178 0.005 . 1 . . . . . 2 GLU N . 53108 1 7 . 1 . 1 3 3 VAL H H 1 8.377 0.002 . 1 . . . . . 3 VAL H . 53108 1 8 . 1 . 1 3 3 VAL C C 13 176.205 0.006 . 1 . . . . . 3 VAL C . 53108 1 9 . 1 . 1 3 3 VAL CA C 13 62.616 0.000 . 1 . . . . . 3 VAL CA . 53108 1 10 . 1 . 1 3 3 VAL N N 15 122.397 0.004 . 1 . . . . . 3 VAL N . 53108 1 11 . 1 . 1 4 4 GLN H H 1 8.597 0.001 . 1 . . . . . 4 GLN H . 53108 1 12 . 1 . 1 4 4 GLN C C 13 175.943 0.006 . 1 . . . . . 4 GLN C . 53108 1 13 . 1 . 1 4 4 GLN CA C 13 55.598 0.000 . 1 . . . . . 4 GLN CA . 53108 1 14 . 1 . 1 4 4 GLN N N 15 124.759 0.005 . 1 . . . . . 4 GLN N . 53108 1 15 . 1 . 1 5 5 LEU H H 1 8.525 0.001 . 1 . . . . . 5 LEU H . 53108 1 16 . 1 . 1 5 5 LEU C C 13 178.020 0.000 . 1 . . . . . 5 LEU C . 53108 1 17 . 1 . 1 5 5 LEU CA C 13 55.335 0.000 . 1 . . . . . 5 LEU CA . 53108 1 18 . 1 . 1 5 5 LEU N N 15 124.287 0.012 . 1 . . . . . 5 LEU N . 53108 1 19 . 1 . 1 6 6 GLY H H 1 8.551 0.001 . 1 . . . . . 6 GLY H . 53108 1 20 . 1 . 1 6 6 GLY C C 13 174.363 0.008 . 1 . . . . . 6 GLY C . 53108 1 21 . 1 . 1 6 6 GLY CA C 13 45.376 0.000 . 1 . . . . . 6 GLY CA . 53108 1 22 . 1 . 1 6 6 GLY N N 15 109.559 0.011 . 1 . . . . . 6 GLY N . 53108 1 23 . 1 . 1 7 7 LEU H H 1 8.275 0.002 . 1 . . . . . 7 LEU H . 53108 1 24 . 1 . 1 7 7 LEU C C 13 178.153 0.004 . 1 . . . . . 7 LEU C . 53108 1 25 . 1 . 1 7 7 LEU CA C 13 55.344 0.000 . 1 . . . . . 7 LEU CA . 53108 1 26 . 1 . 1 7 7 LEU N N 15 121.576 0.009 . 1 . . . . . 7 LEU N . 53108 1 27 . 1 . 1 8 8 GLY H H 1 8.590 0.002 . 1 . . . . . 8 GLY H . 53108 1 28 . 1 . 1 8 8 GLY C C 13 173.858 0.001 . 1 . . . . . 8 GLY C . 53108 1 29 . 1 . 1 8 8 GLY CA C 13 45.217 0.000 . 1 . . . . . 8 GLY CA . 53108 1 30 . 1 . 1 8 8 GLY N N 15 109.655 0.007 . 1 . . . . . 8 GLY N . 53108 1 31 . 1 . 1 9 9 ARG H H 1 8.137 0.001 . 1 . . . . . 9 ARG H . 53108 1 32 . 1 . 1 9 9 ARG C C 13 175.702 0.004 . 1 . . . . . 9 ARG C . 53108 1 33 . 1 . 1 9 9 ARG CA C 13 55.943 0.000 . 1 . . . . . 9 ARG CA . 53108 1 34 . 1 . 1 9 9 ARG N N 15 120.726 0.005 . 1 . . . . . 9 ARG N . 53108 1 35 . 1 . 1 10 10 VAL H H 1 8.262 0.001 . 1 . . . . . 10 VAL H . 53108 1 36 . 1 . 1 10 10 VAL C C 13 175.560 0.004 . 1 . . . . . 10 VAL C . 53108 1 37 . 1 . 1 10 10 VAL CA C 13 61.753 0.000 . 1 . . . . . 10 VAL CA . 53108 1 38 . 1 . 1 10 10 VAL N N 15 122.134 0.005 . 1 . . . . . 10 VAL N . 53108 1 39 . 1 . 1 11 11 TYR H H 1 8.584 0.002 . 1 . . . . . 11 TYR H . 53108 1 40 . 1 . 1 11 11 TYR C C 13 173.727 0.000 . 1 . . . . . 11 TYR C . 53108 1 41 . 1 . 1 11 11 TYR CA C 13 55.772 0.000 . 1 . . . . . 11 TYR CA . 53108 1 42 . 1 . 1 11 11 TYR N N 15 126.290 0.008 . 1 . . . . . 11 TYR N . 53108 1 43 . 1 . 1 15 15 PRO C C 13 176.969 0.000 . 1 . . . . . 15 PRO C . 53108 1 44 . 1 . 1 16 16 SER H H 1 8.594 0.003 . 1 . . . . . 16 SER H . 53108 1 45 . 1 . 1 16 16 SER CA C 13 58.313 0.000 . 1 . . . . . 16 SER CA . 53108 1 46 . 1 . 1 16 16 SER N N 15 116.674 0.007 . 1 . . . . . 16 SER N . 53108 1 47 . 1 . 1 17 17 LYS C C 13 176.629 0.000 . 1 . . . . . 17 LYS C . 53108 1 48 . 1 . 1 18 18 THR H H 1 8.241 0.002 . 1 . . . . . 18 THR H . 53108 1 49 . 1 . 1 18 18 THR C C 13 174.036 0.000 . 1 . . . . . 18 THR C . 53108 1 50 . 1 . 1 18 18 THR CA C 13 61.734 0.019 . 1 . . . . . 18 THR CA . 53108 1 51 . 1 . 1 18 18 THR N N 15 115.134 0.004 . 1 . . . . . 18 THR N . 53108 1 52 . 1 . 1 19 19 TYR H H 1 8.385 0.003 . 1 . . . . . 19 TYR H . 53108 1 53 . 1 . 1 19 19 TYR C C 13 175.565 0.007 . 1 . . . . . 19 TYR C . 53108 1 54 . 1 . 1 19 19 TYR CA C 13 58.100 0.000 . 1 . . . . . 19 TYR CA . 53108 1 55 . 1 . 1 19 19 TYR N N 15 123.768 0.008 . 1 . . . . . 19 TYR N . 53108 1 56 . 1 . 1 20 20 ARG H H 1 8.475 0.001 . 1 . . . . . 20 ARG H . 53108 1 57 . 1 . 1 20 20 ARG C C 13 176.236 0.000 . 1 . . . . . 20 ARG C . 53108 1 58 . 1 . 1 20 20 ARG CA C 13 55.821 0.000 . 1 . . . . . 20 ARG CA . 53108 1 59 . 1 . 1 20 20 ARG N N 15 124.691 0.002 . 1 . . . . . 20 ARG N . 53108 1 60 . 1 . 1 21 21 GLY H H 1 7.763 0.003 . 1 . . . . . 21 GLY H . 53108 1 61 . 1 . 1 21 21 GLY C C 13 173.446 0.000 . 1 . . . . . 21 GLY C . 53108 1 62 . 1 . 1 21 21 GLY CA C 13 45.037 0.000 . 1 . . . . . 21 GLY CA . 53108 1 63 . 1 . 1 21 21 GLY N N 15 109.327 0.008 . 1 . . . . . 21 GLY N . 53108 1 64 . 1 . 1 22 22 ALA H H 1 8.263 0.001 . 1 . . . . . 22 ALA H . 53108 1 65 . 1 . 1 22 22 ALA C C 13 177.617 0.006 . 1 . . . . . 22 ALA C . 53108 1 66 . 1 . 1 22 22 ALA CA C 13 52.393 0.000 . 1 . . . . . 22 ALA CA . 53108 1 67 . 1 . 1 22 22 ALA N N 15 123.387 0.004 . 1 . . . . . 22 ALA N . 53108 1 68 . 1 . 1 23 23 PHE H H 1 8.350 0.002 . 1 . . . . . 23 PHE H . 53108 1 69 . 1 . 1 23 23 PHE C C 13 175.466 0.007 . 1 . . . . . 23 PHE C . 53108 1 70 . 1 . 1 23 23 PHE CA C 13 57.736 0.000 . 1 . . . . . 23 PHE CA . 53108 1 71 . 1 . 1 23 23 PHE N N 15 119.645 0.005 . 1 . . . . . 23 PHE N . 53108 1 72 . 1 . 1 24 24 GLN H H 1 8.260 0.001 . 1 . . . . . 24 GLN H . 53108 1 73 . 1 . 1 24 24 GLN C C 13 174.767 0.000 . 1 . . . . . 24 GLN C . 53108 1 74 . 1 . 1 24 24 GLN CA C 13 55.214 0.000 . 1 . . . . . 24 GLN CA . 53108 1 75 . 1 . 1 24 24 GLN N N 15 122.573 0.008 . 1 . . . . . 24 GLN N . 53108 1 76 . 1 . 1 25 25 ASN H H 1 8.532 0.002 . 1 . . . . . 25 ASN H . 53108 1 77 . 1 . 1 25 25 ASN C C 13 173.886 0.000 . 1 . . . . . 25 ASN C . 53108 1 78 . 1 . 1 25 25 ASN CA C 13 51.211 0.000 . 1 . . . . . 25 ASN CA . 53108 1 79 . 1 . 1 25 25 ASN N N 15 121.643 0.012 . 1 . . . . . 25 ASN N . 53108 1 80 . 1 . 1 26 26 PRO C C 13 176.733 0.000 . 1 . . . . . 26 PRO C . 53108 1 81 . 1 . 1 26 26 PRO CA C 13 63.539 0.000 . 1 . . . . . 26 PRO CA . 53108 1 82 . 1 . 1 27 27 PHE H H 1 8.244 0.001 . 1 . . . . . 27 PHE H . 53108 1 83 . 1 . 1 27 27 PHE C C 13 175.631 0.009 . 1 . . . . . 27 PHE C . 53108 1 84 . 1 . 1 27 27 PHE CA C 13 57.723 0.017 . 1 . . . . . 27 PHE CA . 53108 1 85 . 1 . 1 27 27 PHE N N 15 119.375 0.007 . 1 . . . . . 27 PHE N . 53108 1 86 . 1 . 1 28 28 GLN H H 1 8.037 0.001 . 1 . . . . . 28 GLN H . 53108 1 87 . 1 . 1 28 28 GLN C C 13 175.389 0.005 . 1 . . . . . 28 GLN C . 53108 1 88 . 1 . 1 28 28 GLN CA C 13 55.583 0.000 . 1 . . . . . 28 GLN CA . 53108 1 89 . 1 . 1 28 28 GLN N N 15 121.803 0.009 . 1 . . . . . 28 GLN N . 53108 1 90 . 1 . 1 29 29 SER H H 1 8.438 0.001 . 1 . . . . . 29 SER H . 53108 1 91 . 1 . 1 29 29 SER C C 13 174.545 0.000 . 1 . . . . . 29 SER C . 53108 1 92 . 1 . 1 29 29 SER CA C 13 58.414 0.023 . 1 . . . . . 29 SER CA . 53108 1 93 . 1 . 1 29 29 SER N N 15 117.898 0.007 . 1 . . . . . 29 SER N . 53108 1 94 . 1 . 1 30 30 VAL H H 1 8.321 0.001 . 1 . . . . . 30 VAL H . 53108 1 95 . 1 . 1 30 30 VAL C C 13 176.097 0.008 . 1 . . . . . 30 VAL C . 53108 1 96 . 1 . 1 30 30 VAL CA C 13 62.378 0.000 . 1 . . . . . 30 VAL CA . 53108 1 97 . 1 . 1 30 30 VAL N N 15 122.202 0.002 . 1 . . . . . 30 VAL N . 53108 1 98 . 1 . 1 31 31 ARG H H 1 8.478 0.001 . 1 . . . . . 31 ARG H . 53108 1 99 . 1 . 1 31 31 ARG C C 13 176.099 0.000 . 1 . . . . . 31 ARG C . 53108 1 100 . 1 . 1 31 31 ARG CA C 13 56.010 0.000 . 1 . . . . . 31 ARG CA . 53108 1 101 . 1 . 1 31 31 ARG N N 15 125.075 0.002 . 1 . . . . . 31 ARG N . 53108 1 102 . 1 . 1 32 32 GLU H H 1 8.508 0.001 . 1 . . . . . 32 GLU H . 53108 1 103 . 1 . 1 32 32 GLU C C 13 176.176 0.000 . 1 . . . . . 32 GLU C . 53108 1 104 . 1 . 1 32 32 GLU CA C 13 56.381 0.000 . 1 . . . . . 32 GLU CA . 53108 1 105 . 1 . 1 32 32 GLU N N 15 123.047 0.006 . 1 . . . . . 32 GLU N . 53108 1 106 . 1 . 1 33 33 VAL H H 1 8.421 0.001 . 1 . . . . . 33 VAL H . 53108 1 107 . 1 . 1 33 33 VAL C C 13 176.100 0.001 . 1 . . . . . 33 VAL C . 53108 1 108 . 1 . 1 33 33 VAL CA C 13 62.458 0.000 . 1 . . . . . 33 VAL CA . 53108 1 109 . 1 . 1 33 33 VAL N N 15 123.136 0.004 . 1 . . . . . 33 VAL N . 53108 1 110 . 1 . 1 34 34 ILE H H 1 8.426 0.001 . 1 . . . . . 34 ILE H . 53108 1 111 . 1 . 1 34 34 ILE C C 13 176.128 0.015 . 1 . . . . . 34 ILE C . 53108 1 112 . 1 . 1 34 34 ILE CA C 13 60.815 0.002 . 1 . . . . . 34 ILE CA . 53108 1 113 . 1 . 1 34 34 ILE N N 15 126.388 0.004 . 1 . . . . . 34 ILE N . 53108 1 114 . 1 . 1 35 35 GLN H H 1 8.660 0.001 . 1 . . . . . 35 GLN H . 53108 1 115 . 1 . 1 35 35 GLN C C 13 175.289 0.007 . 1 . . . . . 35 GLN C . 53108 1 116 . 1 . 1 35 35 GLN CA C 13 55.539 0.000 . 1 . . . . . 35 GLN CA . 53108 1 117 . 1 . 1 35 35 GLN N N 15 125.579 0.003 . 1 . . . . . 35 GLN N . 53108 1 118 . 1 . 1 36 36 ASN H H 1 8.706 0.003 . 1 . . . . . 36 ASN H . 53108 1 119 . 1 . 1 36 36 ASN C C 13 173.217 0.000 . 1 . . . . . 36 ASN C . 53108 1 120 . 1 . 1 36 36 ASN CA C 13 51.394 0.000 . 1 . . . . . 36 ASN CA . 53108 1 121 . 1 . 1 36 36 ASN N N 15 121.477 0.004 . 1 . . . . . 36 ASN N . 53108 1 122 . 1 . 1 37 37 PRO C C 13 177.071 0.000 . 1 . . . . . 37 PRO C . 53108 1 123 . 1 . 1 37 37 PRO CA C 13 63.407 0.000 . 1 . . . . . 37 PRO CA . 53108 1 124 . 1 . 1 38 38 GLY H H 1 8.373 0.001 . 1 . . . . . 38 GLY H . 53108 1 125 . 1 . 1 38 38 GLY C C 13 171.582 0.000 . 1 . . . . . 38 GLY C . 53108 1 126 . 1 . 1 38 38 GLY CA C 13 44.436 0.000 . 1 . . . . . 38 GLY CA . 53108 1 127 . 1 . 1 38 38 GLY N N 15 109.243 0.007 . 1 . . . . . 38 GLY N . 53108 1 128 . 1 . 1 39 39 PRO C C 13 177.004 0.000 . 1 . . . . . 39 PRO C . 53108 1 129 . 1 . 1 39 39 PRO CA C 13 62.925 0.000 . 1 . . . . . 39 PRO CA . 53108 1 130 . 1 . 1 40 40 ARG H H 1 8.579 0.001 . 1 . . . . . 40 ARG H . 53108 1 131 . 1 . 1 40 40 ARG C C 13 175.982 0.009 . 1 . . . . . 40 ARG C . 53108 1 132 . 1 . 1 40 40 ARG CA C 13 55.824 0.000 . 1 . . . . . 40 ARG CA . 53108 1 133 . 1 . 1 40 40 ARG N N 15 121.619 0.007 . 1 . . . . . 40 ARG N . 53108 1 134 . 1 . 1 41 41 HIS H H 1 8.492 0.003 . 1 . . . . . 41 HIS H . 53108 1 135 . 1 . 1 41 41 HIS C C 13 173.795 0.000 . 1 . . . . . 41 HIS C . 53108 1 136 . 1 . 1 41 41 HIS CA C 13 54.322 0.000 . 1 . . . . . 41 HIS CA . 53108 1 137 . 1 . 1 41 41 HIS N N 15 122.662 0.008 . 1 . . . . . 41 HIS N . 53108 1 138 . 1 . 1 42 42 PRO C C 13 177.069 0.000 . 1 . . . . . 42 PRO C . 53108 1 139 . 1 . 1 42 42 PRO CA C 13 63.405 0.000 . 1 . . . . . 42 PRO CA . 53108 1 140 . 1 . 1 43 43 GLU H H 1 8.916 0.002 . 1 . . . . . 43 GLU H . 53108 1 141 . 1 . 1 43 43 GLU C C 13 176.465 0.007 . 1 . . . . . 43 GLU C . 53108 1 142 . 1 . 1 43 43 GLU CA C 13 56.424 0.001 . 1 . . . . . 43 GLU CA . 53108 1 143 . 1 . 1 43 43 GLU N N 15 121.520 0.003 . 1 . . . . . 43 GLU N . 53108 1 144 . 1 . 1 44 44 ALA H H 1 8.452 0.001 . 1 . . . . . 44 ALA H . 53108 1 145 . 1 . 1 44 44 ALA C C 13 177.678 0.008 . 1 . . . . . 44 ALA C . 53108 1 146 . 1 . 1 44 44 ALA CA C 13 52.505 0.000 . 1 . . . . . 44 ALA CA . 53108 1 147 . 1 . 1 44 44 ALA N N 15 125.531 0.003 . 1 . . . . . 44 ALA N . 53108 1 148 . 1 . 1 45 45 ALA H H 1 8.458 0.001 . 1 . . . . . 45 ALA H . 53108 1 149 . 1 . 1 45 45 ALA C C 13 177.959 0.007 . 1 . . . . . 45 ALA C . 53108 1 150 . 1 . 1 45 45 ALA CA C 13 52.550 0.000 . 1 . . . . . 45 ALA CA . 53108 1 151 . 1 . 1 45 45 ALA N N 15 123.672 0.003 . 1 . . . . . 45 ALA N . 53108 1 152 . 1 . 1 46 46 SER H H 1 8.356 0.003 . 1 . . . . . 46 SER H . 53108 1 153 . 1 . 1 46 46 SER C C 13 174.141 0.002 . 1 . . . . . 46 SER C . 53108 1 154 . 1 . 1 46 46 SER CA C 13 58.215 0.000 . 1 . . . . . 46 SER CA . 53108 1 155 . 1 . 1 46 46 SER N N 15 115.230 0.005 . 1 . . . . . 46 SER N . 53108 1 156 . 1 . 1 47 47 ALA H H 1 8.377 0.001 . 1 . . . . . 47 ALA H . 53108 1 157 . 1 . 1 47 47 ALA C C 13 177.034 0.003 . 1 . . . . . 47 ALA C . 53108 1 158 . 1 . 1 47 47 ALA CA C 13 52.109 0.000 . 1 . . . . . 47 ALA CA . 53108 1 159 . 1 . 1 47 47 ALA N N 15 126.194 0.003 . 1 . . . . . 47 ALA N . 53108 1 160 . 1 . 1 48 48 ALA H H 1 8.361 0.001 . 1 . . . . . 48 ALA H . 53108 1 161 . 1 . 1 48 48 ALA C C 13 174.966 0.000 . 1 . . . . . 48 ALA C . 53108 1 162 . 1 . 1 48 48 ALA CA C 13 50.351 0.000 . 1 . . . . . 48 ALA CA . 53108 1 163 . 1 . 1 48 48 ALA N N 15 125.191 0.002 . 1 . . . . . 48 ALA N . 53108 1 164 . 1 . 1 50 50 PRO C C 13 177.813 0.000 . 1 . . . . . 50 PRO C . 53108 1 165 . 1 . 1 50 50 PRO CA C 13 63.394 0.000 . 1 . . . . . 50 PRO CA . 53108 1 166 . 1 . 1 51 51 GLY H H 1 8.646 0.001 . 1 . . . . . 51 GLY H . 53108 1 167 . 1 . 1 51 51 GLY C C 13 174.466 0.000 . 1 . . . . . 51 GLY C . 53108 1 168 . 1 . 1 51 51 GLY CA C 13 45.349 0.000 . 1 . . . . . 51 GLY CA . 53108 1 169 . 1 . 1 51 51 GLY N N 15 109.457 0.012 . 1 . . . . . 51 GLY N . 53108 1 170 . 1 . 1 52 52 ALA H H 1 8.247 0.001 . 1 . . . . . 52 ALA H . 53108 1 171 . 1 . 1 52 52 ALA C C 13 178.762 0.002 . 1 . . . . . 52 ALA C . 53108 1 172 . 1 . 1 52 52 ALA CA C 13 53.509 0.000 . 1 . . . . . 52 ALA CA . 53108 1 173 . 1 . 1 52 52 ALA N N 15 123.693 0.006 . 1 . . . . . 52 ALA N . 53108 1 174 . 1 . 1 53 53 SER H H 1 8.426 0.003 . 1 . . . . . 53 SER H . 53108 1 175 . 1 . 1 53 53 SER C C 13 175.588 0.000 . 1 . . . . . 53 SER C . 53108 1 176 . 1 . 1 53 53 SER CA C 13 59.312 0.000 . 1 . . . . . 53 SER CA . 53108 1 177 . 1 . 1 53 53 SER N N 15 114.771 0.009 . 1 . . . . . 53 SER N . 53108 1 178 . 1 . 1 54 54 LEU H H 1 8.234 0.001 . 1 . . . . . 54 LEU H . 53108 1 179 . 1 . 1 54 54 LEU C C 13 178.516 0.004 . 1 . . . . . 54 LEU C . 53108 1 180 . 1 . 1 54 54 LEU CA C 13 56.840 0.000 . 1 . . . . . 54 LEU CA . 53108 1 181 . 1 . 1 54 54 LEU N N 15 124.471 0.000 . 1 . . . . . 54 LEU N . 53108 1 182 . 1 . 1 55 55 LEU H H 1 7.994 0.002 . 1 . . . . . 55 LEU H . 53108 1 183 . 1 . 1 55 55 LEU C C 13 178.719 0.006 . 1 . . . . . 55 LEU C . 53108 1 184 . 1 . 1 55 55 LEU CA C 13 56.904 0.000 . 1 . . . . . 55 LEU CA . 53108 1 185 . 1 . 1 55 55 LEU N N 15 120.474 0.004 . 1 . . . . . 55 LEU N . 53108 1 186 . 1 . 1 56 56 LEU H H 1 7.882 0.001 . 1 . . . . . 56 LEU H . 53108 1 187 . 1 . 1 56 56 LEU C C 13 178.901 0.001 . 1 . . . . . 56 LEU C . 53108 1 188 . 1 . 1 56 56 LEU CA C 13 56.966 0.000 . 1 . . . . . 56 LEU CA . 53108 1 189 . 1 . 1 56 56 LEU N N 15 120.683 0.002 . 1 . . . . . 56 LEU N . 53108 1 190 . 1 . 1 57 57 LEU H H 1 7.987 0.001 . 1 . . . . . 57 LEU H . 53108 1 191 . 1 . 1 57 57 LEU C C 13 179.166 0.009 . 1 . . . . . 57 LEU C . 53108 1 192 . 1 . 1 57 57 LEU CA C 13 57.191 0.000 . 1 . . . . . 57 LEU CA . 53108 1 193 . 1 . 1 57 57 LEU N N 15 120.776 0.002 . 1 . . . . . 57 LEU N . 53108 1 194 . 1 . 1 58 58 GLN H H 1 8.290 0.001 . 1 . . . . . 58 GLN H . 53108 1 195 . 1 . 1 58 58 GLN C C 13 178.273 0.004 . 1 . . . . . 58 GLN C . 53108 1 196 . 1 . 1 58 58 GLN CA C 13 58.099 0.000 . 1 . . . . . 58 GLN CA . 53108 1 197 . 1 . 1 58 58 GLN N N 15 119.381 0.005 . 1 . . . . . 58 GLN N . 53108 1 198 . 1 . 1 59 59 GLN H H 1 8.331 0.001 . 1 . . . . . 59 GLN H . 53108 1 199 . 1 . 1 59 59 GLN C C 13 178.184 0.003 . 1 . . . . . 59 GLN C . 53108 1 200 . 1 . 1 59 59 GLN N N 15 120.244 0.001 . 1 . . . . . 59 GLN N . 53108 1 201 . 1 . 1 60 60 GLN H H 1 8.420 0.001 . 1 . . . . . 60 GLN H . 53108 1 202 . 1 . 1 60 60 GLN C C 13 178.134 0.008 . 1 . . . . . 60 GLN C . 53108 1 203 . 1 . 1 60 60 GLN CA C 13 57.984 0.000 . 1 . . . . . 60 GLN CA . 53108 1 204 . 1 . 1 60 60 GLN N N 15 120.280 0.007 . 1 . . . . . 60 GLN N . 53108 1 205 . 1 . 1 61 61 GLN H H 1 8.394 0.001 . 1 . . . . . 61 GLN H . 53108 1 206 . 1 . 1 61 61 GLN C C 13 177.922 0.000 . 1 . . . . . 61 GLN C . 53108 1 207 . 1 . 1 61 61 GLN CA C 13 57.974 0.000 . 1 . . . . . 61 GLN CA . 53108 1 208 . 1 . 1 61 61 GLN N N 15 120.182 0.003 . 1 . . . . . 61 GLN N . 53108 1 209 . 1 . 1 71 71 GLN C C 13 177.016 0.000 . 1 . . . . . 71 GLN C . 53108 1 210 . 1 . 1 72 72 GLN H H 1 8.405 0.002 . 1 . . . . . 72 GLN H . 53108 1 211 . 1 . 1 72 72 GLN C C 13 176.886 0.008 . 1 . . . . . 72 GLN C . 53108 1 212 . 1 . 1 72 72 GLN N N 15 120.746 0.019 . 1 . . . . . 72 GLN N . 53108 1 213 . 1 . 1 73 73 GLN H H 1 8.414 0.000 . 1 . . . . . 73 GLN H . 53108 1 214 . 1 . 1 73 73 GLN C C 13 176.773 0.002 . 1 . . . . . 73 GLN C . 53108 1 215 . 1 . 1 73 73 GLN CA C 13 56.734 0.000 . 1 . . . . . 73 GLN CA . 53108 1 216 . 1 . 1 73 73 GLN N N 15 120.803 0.008 . 1 . . . . . 73 GLN N . 53108 1 217 . 1 . 1 74 74 GLN H H 1 8.423 0.003 . 1 . . . . . 74 GLN H . 53108 1 218 . 1 . 1 74 74 GLN C C 13 176.624 0.004 . 1 . . . . . 74 GLN C . 53108 1 219 . 1 . 1 74 74 GLN CA C 13 56.633 0.000 . 1 . . . . . 74 GLN CA . 53108 1 220 . 1 . 1 74 74 GLN N N 15 120.889 0.016 . 1 . . . . . 74 GLN N . 53108 1 221 . 1 . 1 75 75 GLN H H 1 8.447 0.002 . 1 . . . . . 75 GLN H . 53108 1 222 . 1 . 1 75 75 GLN C C 13 176.475 0.001 . 1 . . . . . 75 GLN C . 53108 1 223 . 1 . 1 75 75 GLN CA C 13 56.426 0.000 . 1 . . . . . 75 GLN CA . 53108 1 224 . 1 . 1 75 75 GLN N N 15 121.130 0.007 . 1 . . . . . 75 GLN N . 53108 1 225 . 1 . 1 76 76 GLN H H 1 8.481 0.001 . 1 . . . . . 76 GLN H . 53108 1 226 . 1 . 1 76 76 GLN C C 13 176.387 0.007 . 1 . . . . . 76 GLN C . 53108 1 227 . 1 . 1 76 76 GLN CA C 13 56.310 0.000 . 1 . . . . . 76 GLN CA . 53108 1 228 . 1 . 1 76 76 GLN N N 15 121.278 0.003 . 1 . . . . . 76 GLN N . 53108 1 229 . 1 . 1 77 77 GLN H H 1 8.512 0.000 . 1 . . . . . 77 GLN H . 53108 1 230 . 1 . 1 77 77 GLN C C 13 176.158 0.000 . 1 . . . . . 77 GLN C . 53108 1 231 . 1 . 1 77 77 GLN CA C 13 56.067 0.000 . 1 . . . . . 77 GLN CA . 53108 1 232 . 1 . 1 77 77 GLN N N 15 121.573 0.009 . 1 . . . . . 77 GLN N . 53108 1 233 . 1 . 1 78 78 GLN H H 1 8.515 0.000 . 1 . . . . . 78 GLN H . 53108 1 234 . 1 . 1 78 78 GLN C C 13 176.173 0.000 . 1 . . . . . 78 GLN C . 53108 1 235 . 1 . 1 78 78 GLN CA C 13 56.060 0.000 . 1 . . . . . 78 GLN CA . 53108 1 236 . 1 . 1 78 78 GLN N N 15 121.570 0.005 . 1 . . . . . 78 GLN N . 53108 1 237 . 1 . 1 79 79 GLU H H 1 8.622 0.002 . 1 . . . . . 79 GLU H . 53108 1 238 . 1 . 1 79 79 GLU C C 13 176.762 0.003 . 1 . . . . . 79 GLU C . 53108 1 239 . 1 . 1 79 79 GLU CA C 13 56.669 0.000 . 1 . . . . . 79 GLU CA . 53108 1 240 . 1 . 1 79 79 GLU N N 15 122.515 0.004 . 1 . . . . . 79 GLU N . 53108 1 241 . 1 . 1 80 80 THR H H 1 8.373 0.002 . 1 . . . . . 80 THR H . 53108 1 242 . 1 . 1 80 80 THR C C 13 174.466 0.011 . 1 . . . . . 80 THR C . 53108 1 243 . 1 . 1 80 80 THR CA C 13 61.846 0.000 . 1 . . . . . 80 THR CA . 53108 1 244 . 1 . 1 80 80 THR N N 15 115.376 0.013 . 1 . . . . . 80 THR N . 53108 1 245 . 1 . 1 81 81 SER H H 1 8.448 0.003 . 1 . . . . . 81 SER H . 53108 1 246 . 1 . 1 81 81 SER C C 13 172.624 0.000 . 1 . . . . . 81 SER C . 53108 1 247 . 1 . 1 81 81 SER CA C 13 56.565 0.000 . 1 . . . . . 81 SER CA . 53108 1 248 . 1 . 1 81 81 SER N N 15 119.809 0.003 . 1 . . . . . 81 SER N . 53108 1 249 . 1 . 1 82 82 PRO C C 13 177.174 0.000 . 1 . . . . . 82 PRO C . 53108 1 250 . 1 . 1 82 82 PRO CA C 13 63.400 0.000 . 1 . . . . . 82 PRO CA . 53108 1 251 . 1 . 1 83 83 ARG H H 1 8.544 0.002 . 1 . . . . . 83 ARG H . 53108 1 252 . 1 . 1 83 83 ARG C C 13 176.686 0.000 . 1 . . . . . 83 ARG C . 53108 1 253 . 1 . 1 83 83 ARG CA C 13 56.351 0.000 . 1 . . . . . 83 ARG CA . 53108 1 254 . 1 . 1 83 83 ARG N N 15 121.413 0.011 . 1 . . . . . 83 ARG N . 53108 1 255 . 1 . 1 84 84 GLN C C 13 176.198 0.000 . 1 . . . . . 84 GLN C . 53108 1 256 . 1 . 1 85 85 GLN H H 1 8.593 0.000 . 1 . . . . . 85 GLN H . 53108 1 257 . 1 . 1 85 85 GLN C C 13 176.135 0.000 . 1 . . . . . 85 GLN C . 53108 1 258 . 1 . 1 85 85 GLN CA C 13 56.055 0.000 . 1 . . . . . 85 GLN CA . 53108 1 259 . 1 . 1 85 85 GLN N N 15 121.993 0.002 . 1 . . . . . 85 GLN N . 53108 1 260 . 1 . 1 86 86 GLN H H 1 8.587 0.001 . 1 . . . . . 86 GLN H . 53108 1 261 . 1 . 1 86 86 GLN C C 13 176.106 0.001 . 1 . . . . . 86 GLN C . 53108 1 262 . 1 . 1 86 86 GLN CA C 13 56.038 0.000 . 1 . . . . . 86 GLN CA . 53108 1 263 . 1 . 1 86 86 GLN N N 15 121.848 0.006 . 1 . . . . . 86 GLN N . 53108 1 264 . 1 . 1 87 87 GLN H H 1 8.602 0.002 . 1 . . . . . 87 GLN H . 53108 1 265 . 1 . 1 87 87 GLN C C 13 176.071 0.006 . 1 . . . . . 87 GLN C . 53108 1 266 . 1 . 1 87 87 GLN CA C 13 56.051 0.000 . 1 . . . . . 87 GLN CA . 53108 1 267 . 1 . 1 87 87 GLN N N 15 122.029 0.007 . 1 . . . . . 87 GLN N . 53108 1 268 . 1 . 1 88 88 GLN H H 1 8.648 0.001 . 1 . . . . . 88 GLN H . 53108 1 269 . 1 . 1 88 88 GLN C C 13 175.939 0.006 . 1 . . . . . 88 GLN C . 53108 1 270 . 1 . 1 88 88 GLN CA C 13 55.910 0.000 . 1 . . . . . 88 GLN CA . 53108 1 271 . 1 . 1 88 88 GLN N N 15 122.228 0.001 . 1 . . . . . 88 GLN N . 53108 1 272 . 1 . 1 89 89 GLN H H 1 8.665 0.003 . 1 . . . . . 89 GLN H . 53108 1 273 . 1 . 1 89 89 GLN C C 13 176.477 0.008 . 1 . . . . . 89 GLN C . 53108 1 274 . 1 . 1 89 89 GLN CA C 13 55.930 0.008 . 1 . . . . . 89 GLN CA . 53108 1 275 . 1 . 1 89 89 GLN N N 15 122.230 0.003 . 1 . . . . . 89 GLN N . 53108 1 276 . 1 . 1 90 90 GLY H H 1 8.614 0.001 . 1 . . . . . 90 GLY H . 53108 1 277 . 1 . 1 90 90 GLY C C 13 174.264 0.007 . 1 . . . . . 90 GLY C . 53108 1 278 . 1 . 1 90 90 GLY CA C 13 45.100 0.000 . 1 . . . . . 90 GLY CA . 53108 1 279 . 1 . 1 90 90 GLY N N 15 110.603 0.002 . 1 . . . . . 90 GLY N . 53108 1 280 . 1 . 1 91 91 GLU H H 1 8.509 0.001 . 1 . . . . . 91 GLU H . 53108 1 281 . 1 . 1 91 91 GLU C C 13 176.596 0.005 . 1 . . . . . 91 GLU C . 53108 1 282 . 1 . 1 91 91 GLU CA C 13 56.558 0.000 . 1 . . . . . 91 GLU CA . 53108 1 283 . 1 . 1 91 91 GLU N N 15 120.816 0.002 . 1 . . . . . 91 GLU N . 53108 1 284 . 1 . 1 92 92 ASP H H 1 8.574 0.001 . 1 . . . . . 92 ASP H . 53108 1 285 . 1 . 1 92 92 ASP C C 13 176.899 0.005 . 1 . . . . . 92 ASP C . 53108 1 286 . 1 . 1 92 92 ASP CA C 13 54.420 0.000 . 1 . . . . . 92 ASP CA . 53108 1 287 . 1 . 1 92 92 ASP N N 15 121.284 0.002 . 1 . . . . . 92 ASP N . 53108 1 288 . 1 . 1 93 93 GLY H H 1 8.484 0.001 . 1 . . . . . 93 GLY H . 53108 1 289 . 1 . 1 93 93 GLY C C 13 174.208 0.006 . 1 . . . . . 93 GLY C . 53108 1 290 . 1 . 1 93 93 GLY CA C 13 45.237 0.000 . 1 . . . . . 93 GLY CA . 53108 1 291 . 1 . 1 93 93 GLY N N 15 109.900 0.002 . 1 . . . . . 93 GLY N . 53108 1 292 . 1 . 1 94 94 SER H H 1 8.274 0.002 . 1 . . . . . 94 SER H . 53108 1 293 . 1 . 1 94 94 SER C C 13 172.958 0.000 . 1 . . . . . 94 SER C . 53108 1 294 . 1 . 1 94 94 SER CA C 13 56.864 0.000 . 1 . . . . . 94 SER CA . 53108 1 295 . 1 . 1 94 94 SER N N 15 117.369 0.005 . 1 . . . . . 94 SER N . 53108 1 296 . 1 . 1 95 95 PRO C C 13 177.302 0.000 . 1 . . . . . 95 PRO C . 53108 1 297 . 1 . 1 95 95 PRO CA C 13 63.647 0.000 . 1 . . . . . 95 PRO CA . 53108 1 298 . 1 . 1 96 96 GLN H H 1 8.534 0.001 . 1 . . . . . 96 GLN H . 53108 1 299 . 1 . 1 96 96 GLN C C 13 176.048 0.009 . 1 . . . . . 96 GLN C . 53108 1 300 . 1 . 1 96 96 GLN CA C 13 55.871 0.000 . 1 . . . . . 96 GLN CA . 53108 1 301 . 1 . 1 96 96 GLN N N 15 120.112 0.004 . 1 . . . . . 96 GLN N . 53108 1 302 . 1 . 1 97 97 ALA H H 1 8.341 0.001 . 1 . . . . . 97 ALA H . 53108 1 303 . 1 . 1 97 97 ALA C C 13 177.624 0.010 . 1 . . . . . 97 ALA C . 53108 1 304 . 1 . 1 97 97 ALA CA C 13 52.834 0.000 . 1 . . . . . 97 ALA CA . 53108 1 305 . 1 . 1 97 97 ALA N N 15 124.790 0.005 . 1 . . . . . 97 ALA N . 53108 1 306 . 1 . 1 98 98 HIS H H 1 8.281 0.003 . 1 . . . . . 98 HIS H . 53108 1 307 . 1 . 1 98 98 HIS C C 13 175.426 0.003 . 1 . . . . . 98 HIS C . 53108 1 308 . 1 . 1 98 98 HIS CA C 13 56.153 0.000 . 1 . . . . . 98 HIS CA . 53108 1 309 . 1 . 1 98 98 HIS N N 15 118.265 0.005 . 1 . . . . . 98 HIS N . 53108 1 310 . 1 . 1 99 99 ARG H H 1 8.361 0.001 . 1 . . . . . 99 ARG H . 53108 1 311 . 1 . 1 99 99 ARG C C 13 175.950 0.005 . 1 . . . . . 99 ARG C . 53108 1 312 . 1 . 1 99 99 ARG CA C 13 56.019 0.000 . 1 . . . . . 99 ARG CA . 53108 1 313 . 1 . 1 99 99 ARG N N 15 122.436 0.005 . 1 . . . . . 99 ARG N . 53108 1 314 . 1 . 1 100 100 ARG H H 1 8.612 0.002 . 1 . . . . . 100 ARG H . 53108 1 315 . 1 . 1 100 100 ARG C C 13 176.577 0.008 . 1 . . . . . 100 ARG C . 53108 1 316 . 1 . 1 100 100 ARG CA C 13 55.899 0.000 . 1 . . . . . 100 ARG CA . 53108 1 317 . 1 . 1 100 100 ARG N N 15 122.639 0.009 . 1 . . . . . 100 ARG N . 53108 1 318 . 1 . 1 101 101 GLY H H 1 8.442 0.002 . 1 . . . . . 101 GLY H . 53108 1 319 . 1 . 1 101 101 GLY C C 13 172.253 0.000 . 1 . . . . . 101 GLY C . 53108 1 320 . 1 . 1 101 101 GLY CA C 13 44.525 0.000 . 1 . . . . . 101 GLY CA . 53108 1 321 . 1 . 1 101 101 GLY N N 15 110.292 0.006 . 1 . . . . . 101 GLY N . 53108 1 322 . 1 . 1 102 102 PRO C C 13 177.688 0.000 . 1 . . . . . 102 PRO C . 53108 1 323 . 1 . 1 102 102 PRO CA C 13 63.614 0.000 . 1 . . . . . 102 PRO CA . 53108 1 324 . 1 . 1 103 103 THR H H 1 8.331 0.004 . 1 . . . . . 103 THR H . 53108 1 325 . 1 . 1 103 103 THR C C 13 175.109 0.007 . 1 . . . . . 103 THR C . 53108 1 326 . 1 . 1 103 103 THR CA C 13 61.795 0.000 . 1 . . . . . 103 THR CA . 53108 1 327 . 1 . 1 103 103 THR N N 15 112.118 0.016 . 1 . . . . . 103 THR N . 53108 1 328 . 1 . 1 104 104 GLY H H 1 8.328 0.001 . 1 . . . . . 104 GLY H . 53108 1 329 . 1 . 1 104 104 GLY C C 13 173.655 0.006 . 1 . . . . . 104 GLY C . 53108 1 330 . 1 . 1 104 104 GLY CA C 13 45.244 0.000 . 1 . . . . . 104 GLY CA . 53108 1 331 . 1 . 1 104 104 GLY N N 15 110.624 0.004 . 1 . . . . . 104 GLY N . 53108 1 332 . 1 . 1 105 105 TYR H H 1 8.095 0.001 . 1 . . . . . 105 TYR H . 53108 1 333 . 1 . 1 105 105 TYR C C 13 175.405 0.004 . 1 . . . . . 105 TYR C . 53108 1 334 . 1 . 1 105 105 TYR CA C 13 57.635 0.000 . 1 . . . . . 105 TYR CA . 53108 1 335 . 1 . 1 105 105 TYR N N 15 120.165 0.002 . 1 . . . . . 105 TYR N . 53108 1 336 . 1 . 1 106 106 LEU H H 1 8.329 0.001 . 1 . . . . . 106 LEU H . 53108 1 337 . 1 . 1 106 106 LEU C C 13 176.595 0.005 . 1 . . . . . 106 LEU C . 53108 1 338 . 1 . 1 106 106 LEU CA C 13 55.034 0.000 . 1 . . . . . 106 LEU CA . 53108 1 339 . 1 . 1 106 106 LEU N N 15 124.252 0.006 . 1 . . . . . 106 LEU N . 53108 1 340 . 1 . 1 107 107 VAL H H 1 8.290 0.001 . 1 . . . . . 107 VAL H . 53108 1 341 . 1 . 1 107 107 VAL C C 13 175.915 0.008 . 1 . . . . . 107 VAL C . 53108 1 342 . 1 . 1 107 107 VAL CA C 13 62.273 0.001 . 1 . . . . . 107 VAL CA . 53108 1 343 . 1 . 1 107 107 VAL N N 15 123.011 0.002 . 1 . . . . . 107 VAL N . 53108 1 344 . 1 . 1 108 108 LEU H H 1 8.494 0.001 . 1 . . . . . 108 LEU H . 53108 1 345 . 1 . 1 108 108 LEU C C 13 176.981 0.006 . 1 . . . . . 108 LEU C . 53108 1 346 . 1 . 1 108 108 LEU CA C 13 54.792 0.000 . 1 . . . . . 108 LEU CA . 53108 1 347 . 1 . 1 108 108 LEU N N 15 126.968 0.006 . 1 . . . . . 108 LEU N . 53108 1 348 . 1 . 1 109 109 ASP H H 1 8.445 0.001 . 1 . . . . . 109 ASP H . 53108 1 349 . 1 . 1 109 109 ASP C C 13 176.382 0.006 . 1 . . . . . 109 ASP C . 53108 1 350 . 1 . 1 109 109 ASP CA C 13 54.503 0.000 . 1 . . . . . 109 ASP CA . 53108 1 351 . 1 . 1 109 109 ASP N N 15 121.751 0.002 . 1 . . . . . 109 ASP N . 53108 1 352 . 1 . 1 110 110 GLU H H 1 8.531 0.001 . 1 . . . . . 110 GLU H . 53108 1 353 . 1 . 1 110 110 GLU C C 13 176.689 0.003 . 1 . . . . . 110 GLU C . 53108 1 354 . 1 . 1 110 110 GLU CA C 13 56.788 0.000 . 1 . . . . . 110 GLU CA . 53108 1 355 . 1 . 1 110 110 GLU N N 15 121.228 0.004 . 1 . . . . . 110 GLU N . 53108 1 356 . 1 . 1 111 111 GLU H H 1 8.530 0.001 . 1 . . . . . 111 GLU H . 53108 1 357 . 1 . 1 111 111 GLU C C 13 176.595 0.000 . 1 . . . . . 111 GLU C . 53108 1 358 . 1 . 1 111 111 GLU CA C 13 56.688 0.000 . 1 . . . . . 111 GLU CA . 53108 1 359 . 1 . 1 111 111 GLU N N 15 121.724 0.013 . 1 . . . . . 111 GLU N . 53108 1 360 . 1 . 1 112 112 GLN H H 1 8.454 0.001 . 1 . . . . . 112 GLN H . 53108 1 361 . 1 . 1 112 112 GLN C C 13 175.884 0.006 . 1 . . . . . 112 GLN C . 53108 1 362 . 1 . 1 112 112 GLN CA C 13 55.605 0.000 . 1 . . . . . 112 GLN CA . 53108 1 363 . 1 . 1 112 112 GLN N N 15 121.379 0.001 . 1 . . . . . 112 GLN N . 53108 1 364 . 1 . 1 113 113 GLN H H 1 8.592 0.001 . 1 . . . . . 113 GLN H . 53108 1 365 . 1 . 1 113 113 GLN C C 13 173.969 0.000 . 1 . . . . . 113 GLN C . 53108 1 366 . 1 . 1 113 113 GLN CA C 13 53.610 0.000 . 1 . . . . . 113 GLN CA . 53108 1 367 . 1 . 1 113 113 GLN N N 15 122.845 0.004 . 1 . . . . . 113 GLN N . 53108 1 368 . 1 . 1 114 114 PRO C C 13 176.991 0.000 . 1 . . . . . 114 PRO C . 53108 1 369 . 1 . 1 115 115 SER H H 1 8.622 0.002 . 1 . . . . . 115 SER H . 53108 1 370 . 1 . 1 115 115 SER C C 13 174.294 0.004 . 1 . . . . . 115 SER C . 53108 1 371 . 1 . 1 115 115 SER CA C 13 58.439 0.000 . 1 . . . . . 115 SER CA . 53108 1 372 . 1 . 1 115 115 SER N N 15 116.963 0.016 . 1 . . . . . 115 SER N . 53108 1 373 . 1 . 1 116 116 GLN H H 1 8.536 0.002 . 1 . . . . . 116 GLN H . 53108 1 374 . 1 . 1 116 116 GLN C C 13 173.965 0.000 . 1 . . . . . 116 GLN C . 53108 1 375 . 1 . 1 116 116 GLN CA C 13 53.613 0.000 . 1 . . . . . 116 GLN CA . 53108 1 376 . 1 . 1 116 116 GLN N N 15 122.965 0.011 . 1 . . . . . 116 GLN N . 53108 1 377 . 1 . 1 117 117 PRO C C 13 177.027 0.000 . 1 . . . . . 117 PRO C . 53108 1 378 . 1 . 1 117 117 PRO CA C 13 63.098 0.000 . 1 . . . . . 117 PRO CA . 53108 1 379 . 1 . 1 118 118 GLN H H 1 8.746 0.001 . 1 . . . . . 118 GLN H . 53108 1 380 . 1 . 1 118 118 GLN C C 13 176.301 0.008 . 1 . . . . . 118 GLN C . 53108 1 381 . 1 . 1 118 118 GLN CA C 13 55.965 0.000 . 1 . . . . . 118 GLN CA . 53108 1 382 . 1 . 1 118 118 GLN N N 15 121.297 0.001 . 1 . . . . . 118 GLN N . 53108 1 383 . 1 . 1 119 119 SER H H 1 8.516 0.001 . 1 . . . . . 119 SER H . 53108 1 384 . 1 . 1 119 119 SER C C 13 174.470 0.000 . 1 . . . . . 119 SER C . 53108 1 385 . 1 . 1 119 119 SER CA C 13 58.386 0.000 . 1 . . . . . 119 SER CA . 53108 1 386 . 1 . 1 119 119 SER N N 15 117.506 0.004 . 1 . . . . . 119 SER N . 53108 1 387 . 1 . 1 120 120 ALA H H 1 8.532 0.001 . 1 . . . . . 120 ALA H . 53108 1 388 . 1 . 1 120 120 ALA C C 13 177.841 0.010 . 1 . . . . . 120 ALA C . 53108 1 389 . 1 . 1 120 120 ALA CA C 13 52.703 0.000 . 1 . . . . . 120 ALA CA . 53108 1 390 . 1 . 1 120 120 ALA N N 15 126.292 0.002 . 1 . . . . . 120 ALA N . 53108 1 391 . 1 . 1 121 121 LEU H H 1 8.213 0.001 . 1 . . . . . 121 LEU H . 53108 1 392 . 1 . 1 121 121 LEU C C 13 177.596 0.011 . 1 . . . . . 121 LEU C . 53108 1 393 . 1 . 1 121 121 LEU CA C 13 55.286 0.000 . 1 . . . . . 121 LEU CA . 53108 1 394 . 1 . 1 121 121 LEU N N 15 120.770 0.004 . 1 . . . . . 121 LEU N . 53108 1 395 . 1 . 1 122 122 GLU H H 1 8.340 0.001 . 1 . . . . . 122 GLU H . 53108 1 396 . 1 . 1 122 122 GLU C C 13 176.079 0.007 . 1 . . . . . 122 GLU C . 53108 1 397 . 1 . 1 122 122 GLU CA C 13 56.431 0.000 . 1 . . . . . 122 GLU CA . 53108 1 398 . 1 . 1 122 122 GLU N N 15 121.387 0.002 . 1 . . . . . 122 GLU N . 53108 1 399 . 1 . 1 123 123 CYS H H 1 8.358 0.002 . 1 . . . . . 123 CYS H . 53108 1 400 . 1 . 1 123 123 CYS C C 13 173.949 0.004 . 1 . . . . . 123 CYS C . 53108 1 401 . 1 . 1 123 123 CYS CA C 13 58.395 0.014 . 1 . . . . . 123 CYS CA . 53108 1 402 . 1 . 1 123 123 CYS N N 15 120.538 0.005 . 1 . . . . . 123 CYS N . 53108 1 403 . 1 . 1 124 124 HIS H H 1 8.638 0.003 . 1 . . . . . 124 HIS H . 53108 1 404 . 1 . 1 124 124 HIS C C 13 173.494 0.000 . 1 . . . . . 124 HIS C . 53108 1 405 . 1 . 1 124 124 HIS CA C 13 54.284 0.000 . 1 . . . . . 124 HIS CA . 53108 1 406 . 1 . 1 124 124 HIS N N 15 123.209 0.009 . 1 . . . . . 124 HIS N . 53108 1 407 . 1 . 1 125 125 PRO C C 13 177.190 0.000 . 1 . . . . . 125 PRO C . 53108 1 408 . 1 . 1 125 125 PRO CA C 13 63.526 0.000 . 1 . . . . . 125 PRO CA . 53108 1 409 . 1 . 1 126 126 GLU H H 1 9.085 0.001 . 1 . . . . . 126 GLU H . 53108 1 410 . 1 . 1 126 126 GLU C C 13 176.828 0.005 . 1 . . . . . 126 GLU C . 53108 1 411 . 1 . 1 126 126 GLU CA C 13 56.786 0.000 . 1 . . . . . 126 GLU CA . 53108 1 412 . 1 . 1 126 126 GLU N N 15 121.421 0.003 . 1 . . . . . 126 GLU N . 53108 1 413 . 1 . 1 127 127 ARG H H 1 8.464 0.001 . 1 . . . . . 127 ARG H . 53108 1 414 . 1 . 1 127 127 ARG C C 13 176.896 0.011 . 1 . . . . . 127 ARG C . 53108 1 415 . 1 . 1 127 127 ARG CA C 13 56.450 0.000 . 1 . . . . . 127 ARG CA . 53108 1 416 . 1 . 1 127 127 ARG N N 15 122.295 0.004 . 1 . . . . . 127 ARG N . 53108 1 417 . 1 . 1 128 128 GLY H H 1 8.543 0.001 . 1 . . . . . 128 GLY H . 53108 1 418 . 1 . 1 128 128 GLY C C 13 173.852 0.005 . 1 . . . . . 128 GLY C . 53108 1 419 . 1 . 1 128 128 GLY CA C 13 45.165 0.000 . 1 . . . . . 128 GLY CA . 53108 1 420 . 1 . 1 128 128 GLY N N 15 109.931 0.002 . 1 . . . . . 128 GLY N . 53108 1 421 . 1 . 1 129 129 CYS H H 1 8.341 0.001 . 1 . . . . . 129 CYS H . 53108 1 422 . 1 . 1 129 129 CYS C C 13 174.535 0.008 . 1 . . . . . 129 CYS C . 53108 1 423 . 1 . 1 129 129 CYS CA C 13 58.269 0.000 . 1 . . . . . 129 CYS CA . 53108 1 424 . 1 . 1 129 129 CYS N N 15 119.036 0.001 . 1 . . . . . 129 CYS N . 53108 1 425 . 1 . 1 130 130 VAL H H 1 8.445 0.001 . 1 . . . . . 130 VAL H . 53108 1 426 . 1 . 1 130 130 VAL C C 13 174.363 0.000 . 1 . . . . . 130 VAL C . 53108 1 427 . 1 . 1 130 130 VAL CA C 13 59.974 0.000 . 1 . . . . . 130 VAL CA . 53108 1 428 . 1 . 1 130 130 VAL N N 15 124.661 0.002 . 1 . . . . . 130 VAL N . 53108 1 429 . 1 . 1 131 131 PRO C C 13 176.527 0.000 . 1 . . . . . 131 PRO C . 53108 1 430 . 1 . 1 131 131 PRO CA C 13 62.884 0.000 . 1 . . . . . 131 PRO CA . 53108 1 431 . 1 . 1 132 132 GLU H H 1 8.632 0.001 . 1 . . . . . 132 GLU H . 53108 1 432 . 1 . 1 132 132 GLU C C 13 174.979 0.000 . 1 . . . . . 132 GLU C . 53108 1 433 . 1 . 1 132 132 GLU CA C 13 54.320 0.000 . 1 . . . . . 132 GLU CA . 53108 1 434 . 1 . 1 132 132 GLU N N 15 123.006 0.003 . 1 . . . . . 132 GLU N . 53108 1 435 . 1 . 1 133 133 PRO C C 13 177.846 0.000 . 1 . . . . . 133 PRO C . 53108 1 436 . 1 . 1 133 133 PRO CA C 13 63.751 0.000 . 1 . . . . . 133 PRO CA . 53108 1 437 . 1 . 1 134 134 GLY H H 1 8.679 0.001 . 1 . . . . . 134 GLY H . 53108 1 438 . 1 . 1 134 134 GLY C C 13 174.090 0.005 . 1 . . . . . 134 GLY C . 53108 1 439 . 1 . 1 134 134 GLY CA C 13 45.186 0.000 . 1 . . . . . 134 GLY CA . 53108 1 440 . 1 . 1 134 134 GLY N N 15 109.654 0.009 . 1 . . . . . 134 GLY N . 53108 1 441 . 1 . 1 135 135 ALA H H 1 8.110 0.001 . 1 . . . . . 135 ALA H . 53108 1 442 . 1 . 1 135 135 ALA C C 13 177.821 0.003 . 1 . . . . . 135 ALA C . 53108 1 443 . 1 . 1 135 135 ALA CA C 13 52.553 0.000 . 1 . . . . . 135 ALA CA . 53108 1 444 . 1 . 1 135 135 ALA N N 15 123.748 0.002 . 1 . . . . . 135 ALA N . 53108 1 445 . 1 . 1 136 136 ALA H H 1 8.420 0.000 . 1 . . . . . 136 ALA H . 53108 1 446 . 1 . 1 136 136 ALA C C 13 178.138 0.000 . 1 . . . . . 136 ALA C . 53108 1 447 . 1 . 1 136 136 ALA CA C 13 52.604 0.000 . 1 . . . . . 136 ALA CA . 53108 1 448 . 1 . 1 136 136 ALA N N 15 123.567 0.001 . 1 . . . . . 136 ALA N . 53108 1 449 . 1 . 1 137 137 VAL H H 1 8.211 0.001 . 1 . . . . . 137 VAL H . 53108 1 450 . 1 . 1 137 137 VAL C C 13 176.360 0.006 . 1 . . . . . 137 VAL C . 53108 1 451 . 1 . 1 137 137 VAL CA C 13 62.383 0.000 . 1 . . . . . 137 VAL CA . 53108 1 452 . 1 . 1 137 137 VAL N N 15 120.138 0.003 . 1 . . . . . 137 VAL N . 53108 1 453 . 1 . 1 138 138 ALA H H 1 8.485 0.001 . 1 . . . . . 138 ALA H . 53108 1 454 . 1 . 1 138 138 ALA C C 13 177.770 0.000 . 1 . . . . . 138 ALA C . 53108 1 455 . 1 . 1 138 138 ALA CA C 13 52.646 0.000 . 1 . . . . . 138 ALA CA . 53108 1 456 . 1 . 1 138 138 ALA N N 15 128.090 0.007 . 1 . . . . . 138 ALA N . 53108 1 457 . 1 . 1 139 139 ALA H H 1 8.418 0.000 . 1 . . . . . 139 ALA H . 53108 1 458 . 1 . 1 139 139 ALA C C 13 178.145 0.000 . 1 . . . . . 139 ALA C . 53108 1 459 . 1 . 1 139 139 ALA N N 15 123.568 0.000 . 1 . . . . . 139 ALA N . 53108 1 460 . 1 . 1 140 140 SER H H 1 8.371 0.001 . 1 . . . . . 140 SER H . 53108 1 461 . 1 . 1 140 140 SER C C 13 174.822 0.000 . 1 . . . . . 140 SER C . 53108 1 462 . 1 . 1 140 140 SER CA C 13 58.397 0.000 . 1 . . . . . 140 SER CA . 53108 1 463 . 1 . 1 140 140 SER N N 15 115.297 0.004 . 1 . . . . . 140 SER N . 53108 1 464 . 1 . 1 141 141 LYS H H 1 8.440 0.001 . 1 . . . . . 141 LYS H . 53108 1 465 . 1 . 1 141 141 LYS C C 13 176.995 0.001 . 1 . . . . . 141 LYS C . 53108 1 466 . 1 . 1 141 141 LYS CA C 13 56.451 0.000 . 1 . . . . . 141 LYS CA . 53108 1 467 . 1 . 1 141 141 LYS N N 15 123.352 0.002 . 1 . . . . . 141 LYS N . 53108 1 468 . 1 . 1 142 142 GLY H H 1 8.431 0.001 . 1 . . . . . 142 GLY H . 53108 1 469 . 1 . 1 142 142 GLY C C 13 173.713 0.001 . 1 . . . . . 142 GLY C . 53108 1 470 . 1 . 1 142 142 GLY CA C 13 44.941 0.000 . 1 . . . . . 142 GLY CA . 53108 1 471 . 1 . 1 142 142 GLY N N 15 109.638 0.003 . 1 . . . . . 142 GLY N . 53108 1 472 . 1 . 1 143 143 LEU H H 1 8.250 0.001 . 1 . . . . . 143 LEU H . 53108 1 473 . 1 . 1 143 143 LEU C C 13 175.468 0.000 . 1 . . . . . 143 LEU C . 53108 1 474 . 1 . 1 143 143 LEU CA C 13 53.057 0.000 . 1 . . . . . 143 LEU CA . 53108 1 475 . 1 . 1 143 143 LEU N N 15 123.011 0.004 . 1 . . . . . 143 LEU N . 53108 1 476 . 1 . 1 144 144 PRO C C 13 176.894 0.000 . 1 . . . . . 144 PRO C . 53108 1 477 . 1 . 1 144 144 PRO CA C 13 63.069 0.000 . 1 . . . . . 144 PRO CA . 53108 1 478 . 1 . 1 145 145 GLN H H 1 8.613 0.001 . 1 . . . . . 145 GLN H . 53108 1 479 . 1 . 1 145 145 GLN C C 13 175.882 0.007 . 1 . . . . . 145 GLN C . 53108 1 480 . 1 . 1 145 145 GLN CA C 13 55.710 0.000 . 1 . . . . . 145 GLN CA . 53108 1 481 . 1 . 1 145 145 GLN N N 15 120.884 0.004 . 1 . . . . . 145 GLN N . 53108 1 482 . 1 . 1 146 146 GLN H H 1 8.575 0.001 . 1 . . . . . 146 GLN H . 53108 1 483 . 1 . 1 146 146 GLN C C 13 175.642 0.003 . 1 . . . . . 146 GLN C . 53108 1 484 . 1 . 1 146 146 GLN CA C 13 55.431 0.000 . 1 . . . . . 146 GLN CA . 53108 1 485 . 1 . 1 146 146 GLN N N 15 122.476 0.002 . 1 . . . . . 146 GLN N . 53108 1 486 . 1 . 1 147 147 LEU H H 1 8.572 0.001 . 1 . . . . . 147 LEU H . 53108 1 487 . 1 . 1 147 147 LEU C C 13 175.117 0.000 . 1 . . . . . 147 LEU C . 53108 1 488 . 1 . 1 147 147 LEU CA C 13 53.031 0.000 . 1 . . . . . 147 LEU CA . 53108 1 489 . 1 . 1 147 147 LEU N N 15 126.139 0.010 . 1 . . . . . 147 LEU N . 53108 1 490 . 1 . 1 148 148 PRO C C 13 176.201 0.000 . 1 . . . . . 148 PRO C . 53108 1 491 . 1 . 1 148 148 PRO CA C 13 62.712 0.000 . 1 . . . . . 148 PRO CA . 53108 1 492 . 1 . 1 149 149 ALA H H 1 8.503 0.001 . 1 . . . . . 149 ALA H . 53108 1 493 . 1 . 1 149 149 ALA C C 13 175.060 0.000 . 1 . . . . . 149 ALA C . 53108 1 494 . 1 . 1 149 149 ALA CA C 13 50.292 0.000 . 1 . . . . . 149 ALA CA . 53108 1 495 . 1 . 1 149 149 ALA N N 15 126.156 0.003 . 1 . . . . . 149 ALA N . 53108 1 stop_ save_