################################### # 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 52742 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name N-IDR _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' . . . 52742 1 2 '3D HNCO' . . . 52742 1 3 '3D HNCACB' . . . 52742 1 4 '3D CBCACONH' . . . 52742 1 5 '3D HNN' . . . 52742 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 . . 52742 1 2 $software_2 . . 52742 1 3 $software_3 . . 52742 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 2 2 SER C C 13 173.795 0.00 . 1 . . . . . 2 SER C . 52742 1 2 . 1 . 1 2 2 SER CA C 13 58.166 0.00 . 1 . . . . . 2 SER CA . 52742 1 3 . 1 . 1 2 2 SER CB C 13 63.821 0.00 . 1 . . . . . 2 SER CB . 52742 1 4 . 1 . 1 3 3 HIS H H 1 8.665 0.00 . 1 . . . . . 3 HIS H . 52742 1 5 . 1 . 1 3 3 HIS C C 13 174.726 0.00 . 1 . . . . . 3 HIS C . 52742 1 6 . 1 . 1 3 3 HIS CA C 13 56.030 0.00 . 1 . . . . . 3 HIS CA . 52742 1 7 . 1 . 1 3 3 HIS CB C 13 30.181 0.00 . 1 . . . . . 3 HIS CB . 52742 1 8 . 1 . 1 3 3 HIS N N 15 121.916 0.00 . 1 . . . . . 3 HIS N . 52742 1 9 . 1 . 1 4 4 VAL H H 1 8.149 0.00 . 1 . . . . . 4 VAL H . 52742 1 10 . 1 . 1 4 4 VAL C C 13 175.555 0.00 . 1 . . . . . 4 VAL C . 52742 1 11 . 1 . 1 4 4 VAL CA C 13 62.244 0.00 . 1 . . . . . 4 VAL CA . 52742 1 12 . 1 . 1 4 4 VAL CB C 13 32.813 0.00 . 1 . . . . . 4 VAL CB . 52742 1 13 . 1 . 1 4 4 VAL N N 15 122.179 0.00 . 1 . . . . . 4 VAL N . 52742 1 14 . 1 . 1 5 5 ALA H H 1 8.479 0.00 . 1 . . . . . 5 ALA H . 52742 1 15 . 1 . 1 5 5 ALA C C 13 177.746 0.00 . 1 . . . . . 5 ALA C . 52742 1 16 . 1 . 1 5 5 ALA CA C 13 52.475 0.00 . 1 . . . . . 5 ALA CA . 52742 1 17 . 1 . 1 5 5 ALA CB C 13 19.176 0.00 . 1 . . . . . 5 ALA CB . 52742 1 18 . 1 . 1 5 5 ALA N N 15 128.594 0.00 . 1 . . . . . 5 ALA N . 52742 1 19 . 1 . 1 6 6 VAL H H 1 8.233 0.00 . 1 . . . . . 6 VAL H . 52742 1 20 . 1 . 1 6 6 VAL C C 13 176.348 0.00 . 1 . . . . . 6 VAL C . 52742 1 21 . 1 . 1 6 6 VAL CA C 13 62.488 0.00 . 1 . . . . . 6 VAL CA . 52742 1 22 . 1 . 1 6 6 VAL CB C 13 32.793 0.00 . 1 . . . . . 6 VAL CB . 52742 1 23 . 1 . 1 6 6 VAL N N 15 120.296 0.00 . 1 . . . . . 6 VAL N . 52742 1 24 . 1 . 1 7 7 GLU H H 1 8.593 0.00 . 1 . . . . . 7 GLU H . 52742 1 25 . 1 . 1 7 7 GLU C C 13 176.288 0.00 . 1 . . . . . 7 GLU C . 52742 1 26 . 1 . 1 7 7 GLU CA C 13 56.800 0.00 . 1 . . . . . 7 GLU CA . 52742 1 27 . 1 . 1 7 7 GLU CB C 13 30.157 0.00 . 1 . . . . . 7 GLU CB . 52742 1 28 . 1 . 1 7 7 GLU N N 15 124.521 0.00 . 1 . . . . . 7 GLU N . 52742 1 29 . 1 . 1 8 8 ASN H H 1 8.522 0.00 . 1 . . . . . 8 ASN H . 52742 1 30 . 1 . 1 8 8 ASN C C 13 175.068 0.00 . 1 . . . . . 8 ASN C . 52742 1 31 . 1 . 1 8 8 ASN CA C 13 53.214 0.00 . 1 . . . . . 8 ASN CA . 52742 1 32 . 1 . 1 8 8 ASN CB C 13 38.907 0.00 . 1 . . . . . 8 ASN CB . 52742 1 33 . 1 . 1 8 8 ASN N N 15 119.943 0.00 . 1 . . . . . 8 ASN N . 52742 1 34 . 1 . 1 9 9 ALA H H 1 8.355 0.00 . 1 . . . . . 9 ALA H . 52742 1 35 . 1 . 1 9 9 ALA C C 13 177.882 0.00 . 1 . . . . . 9 ALA C . 52742 1 36 . 1 . 1 9 9 ALA CA C 13 53.042 0.00 . 1 . . . . . 9 ALA CA . 52742 1 37 . 1 . 1 9 9 ALA CB C 13 18.990 0.00 . 1 . . . . . 9 ALA CB . 52742 1 38 . 1 . 1 9 9 ALA N N 15 124.559 0.01 . 1 . . . . . 9 ALA N . 52742 1 39 . 1 . 1 10 10 LEU H H 1 8.251 0.00 . 1 . . . . . 10 LEU H . 52742 1 40 . 1 . 1 10 10 LEU C C 13 178.052 0.00 . 1 . . . . . 10 LEU C . 52742 1 41 . 1 . 1 10 10 LEU CA C 13 55.317 0.00 . 1 . . . . . 10 LEU CA . 52742 1 42 . 1 . 1 10 10 LEU CB C 13 42.228 0.00 . 1 . . . . . 10 LEU CB . 52742 1 43 . 1 . 1 10 10 LEU N N 15 120.376 0.00 . 1 . . . . . 10 LEU N . 52742 1 44 . 1 . 1 11 11 GLY H H 1 8.339 0.00 . 1 . . . . . 11 GLY H . 52742 1 45 . 1 . 1 11 11 GLY C C 13 174.497 0.00 . 1 . . . . . 11 GLY C . 52742 1 46 . 1 . 1 11 11 GLY CA C 13 45.438 0.00 . 1 . . . . . 11 GLY CA . 52742 1 47 . 1 . 1 11 11 GLY N N 15 109.085 0.00 . 1 . . . . . 11 GLY N . 52742 1 48 . 1 . 1 12 12 LEU H H 1 8.155 0.00 . 1 . . . . . 12 LEU H . 52742 1 49 . 1 . 1 12 12 LEU C C 13 177.521 0.00 . 1 . . . . . 12 LEU C . 52742 1 50 . 1 . 1 12 12 LEU CA C 13 55.550 0.00 . 1 . . . . . 12 LEU CA . 52742 1 51 . 1 . 1 12 12 LEU CB C 13 42.271 0.00 . 1 . . . . . 12 LEU CB . 52742 1 52 . 1 . 1 12 12 LEU N N 15 121.471 0.00 . 1 . . . . . 12 LEU N . 52742 1 53 . 1 . 1 13 13 ASP H H 1 8.491 0.00 . 1 . . . . . 13 ASP H . 52742 1 54 . 1 . 1 13 13 ASP C C 13 176.563 0.00 . 1 . . . . . 13 ASP C . 52742 1 55 . 1 . 1 13 13 ASP CA C 13 54.636 0.00 . 1 . . . . . 13 ASP CA . 52742 1 56 . 1 . 1 13 13 ASP CB C 13 40.797 0.00 . 1 . . . . . 13 ASP CB . 52742 1 57 . 1 . 1 13 13 ASP N N 15 120.280 0.00 . 1 . . . . . 13 ASP N . 52742 1 58 . 1 . 1 14 14 GLN H H 1 8.252 0.00 . 1 . . . . . 14 GLN H . 52742 1 59 . 1 . 1 14 14 GLN C C 13 176.140 0.00 . 1 . . . . . 14 GLN C . 52742 1 60 . 1 . 1 14 14 GLN CA C 13 56.153 0.00 . 1 . . . . . 14 GLN CA . 52742 1 61 . 1 . 1 14 14 GLN CB C 13 29.256 0.00 . 1 . . . . . 14 GLN CB . 52742 1 62 . 1 . 1 14 14 GLN N N 15 120.377 0.00 . 1 . . . . . 14 GLN N . 52742 1 63 . 1 . 1 15 15 GLN H H 1 8.337 0.00 . 1 . . . . . 15 GLN H . 52742 1 64 . 1 . 1 15 15 GLN C C 13 175.944 0.00 . 1 . . . . . 15 GLN C . 52742 1 65 . 1 . 1 15 15 GLN CA C 13 56.392 0.00 . 1 . . . . . 15 GLN CA . 52742 1 66 . 1 . 1 15 15 GLN CB C 13 29.136 0.00 . 1 . . . . . 15 GLN CB . 52742 1 67 . 1 . 1 15 15 GLN N N 15 120.597 0.00 . 1 . . . . . 15 GLN N . 52742 1 68 . 1 . 1 16 16 PHE H H 1 8.266 0.00 . 1 . . . . . 16 PHE H . 52742 1 69 . 1 . 1 16 16 PHE C C 13 175.613 0.00 . 1 . . . . . 16 PHE C . 52742 1 70 . 1 . 1 16 16 PHE CA C 13 57.593 0.00 . 1 . . . . . 16 PHE CA . 52742 1 71 . 1 . 1 16 16 PHE CB C 13 39.380 0.00 . 1 . . . . . 16 PHE CB . 52742 1 72 . 1 . 1 16 16 PHE N N 15 120.430 0.00 . 1 . . . . . 16 PHE N . 52742 1 73 . 1 . 1 17 17 ALA H H 1 8.209 0.00 . 1 . . . . . 17 ALA H . 52742 1 74 . 1 . 1 17 17 ALA C C 13 177.938 0.00 . 1 . . . . . 17 ALA C . 52742 1 75 . 1 . 1 17 17 ALA CA C 13 52.752 0.00 . 1 . . . . . 17 ALA CA . 52742 1 76 . 1 . 1 17 17 ALA CB C 13 19.216 0.00 . 1 . . . . . 17 ALA CB . 52742 1 77 . 1 . 1 17 17 ALA N N 15 125.618 0.00 . 1 . . . . . 17 ALA N . 52742 1 78 . 1 . 1 18 18 GLY H H 1 7.989 0.00 . 1 . . . . . 18 GLY H . 52742 1 79 . 1 . 1 18 18 GLY C C 13 174.011 0.00 . 1 . . . . . 18 GLY C . 52742 1 80 . 1 . 1 18 18 GLY CA C 13 45.329 0.00 . 1 . . . . . 18 GLY CA . 52742 1 81 . 1 . 1 18 18 GLY N N 15 107.577 0.00 . 1 . . . . . 18 GLY N . 52742 1 82 . 1 . 1 19 19 LEU H H 1 8.040 0.00 . 1 . . . . . 19 LEU H . 52742 1 83 . 1 . 1 19 19 LEU C C 13 176.944 0.00 . 1 . . . . . 19 LEU C . 52742 1 84 . 1 . 1 19 19 LEU CA C 13 55.080 0.00 . 1 . . . . . 19 LEU CA . 52742 1 85 . 1 . 1 19 19 LEU CB C 13 42.599 0.00 . 1 . . . . . 19 LEU CB . 52742 1 86 . 1 . 1 19 19 LEU N N 15 121.250 0.01 . 1 . . . . . 19 LEU N . 52742 1 87 . 1 . 1 20 20 ASP H H 1 8.483 0.00 . 1 . . . . . 20 ASP H . 52742 1 88 . 1 . 1 20 20 ASP C C 13 176.422 0.00 . 1 . . . . . 20 ASP C . 52742 1 89 . 1 . 1 20 20 ASP CA C 13 53.939 0.00 . 1 . . . . . 20 ASP CA . 52742 1 90 . 1 . 1 20 20 ASP CB C 13 40.887 0.00 . 1 . . . . . 20 ASP CB . 52742 1 91 . 1 . 1 20 20 ASP N N 15 121.219 0.00 . 1 . . . . . 20 ASP N . 52742 1 92 . 1 . 1 21 21 LEU H H 1 8.320 0.00 . 1 . . . . . 21 LEU H . 52742 1 93 . 1 . 1 21 21 LEU C C 13 177.524 0.00 . 1 . . . . . 21 LEU C . 52742 1 94 . 1 . 1 21 21 LEU CA C 13 55.587 0.00 . 1 . . . . . 21 LEU CA . 52742 1 95 . 1 . 1 21 21 LEU CB C 13 41.967 0.00 . 1 . . . . . 21 LEU CB . 52742 1 96 . 1 . 1 21 21 LEU N N 15 123.360 0.00 . 1 . . . . . 21 LEU N . 52742 1 97 . 1 . 1 22 22 ASN H H 1 8.523 0.00 . 1 . . . . . 22 ASN H . 52742 1 98 . 1 . 1 22 22 ASN C C 13 175.438 0.00 . 1 . . . . . 22 ASN C . 52742 1 99 . 1 . 1 22 22 ASN CA C 13 53.421 0.00 . 1 . . . . . 22 ASN CA . 52742 1 100 . 1 . 1 22 22 ASN CB C 13 38.952 0.00 . 1 . . . . . 22 ASN CB . 52742 1 101 . 1 . 1 22 22 ASN N N 15 118.556 0.00 . 1 . . . . . 22 ASN N . 52742 1 102 . 1 . 1 23 23 SER H H 1 8.178 0.00 . 1 . . . . . 23 SER H . 52742 1 103 . 1 . 1 23 23 SER C C 13 174.976 0.00 . 1 . . . . . 23 SER C . 52742 1 104 . 1 . 1 23 23 SER CA C 13 58.632 0.00 . 1 . . . . . 23 SER CA . 52742 1 105 . 1 . 1 23 23 SER CB C 13 63.778 0.00 . 1 . . . . . 23 SER CB . 52742 1 106 . 1 . 1 23 23 SER N N 15 116.141 0.00 . 1 . . . . . 23 SER N . 52742 1 107 . 1 . 1 24 24 SER H H 1 8.477 0.00 . 1 . . . . . 24 SER H . 52742 1 108 . 1 . 1 24 24 SER C C 13 174.477 0.00 . 1 . . . . . 24 SER C . 52742 1 109 . 1 . 1 24 24 SER CA C 13 58.855 0.00 . 1 . . . . . 24 SER CA . 52742 1 110 . 1 . 1 24 24 SER CB C 13 63.732 0.00 . 1 . . . . . 24 SER CB . 52742 1 111 . 1 . 1 24 24 SER N N 15 117.997 0.00 . 1 . . . . . 24 SER N . 52742 1 112 . 1 . 1 25 25 ASP H H 1 8.339 0.00 . 1 . . . . . 25 ASP H . 52742 1 113 . 1 . 1 25 25 ASP C C 13 176.136 0.00 . 1 . . . . . 25 ASP C . 52742 1 114 . 1 . 1 25 25 ASP CA C 13 54.548 0.00 . 1 . . . . . 25 ASP CA . 52742 1 115 . 1 . 1 25 25 ASP CB C 13 41.021 0.00 . 1 . . . . . 25 ASP CB . 52742 1 116 . 1 . 1 25 25 ASP N N 15 121.907 0.00 . 1 . . . . . 25 ASP N . 52742 1 117 . 1 . 1 26 26 ASN H H 1 8.329 0.00 . 1 . . . . . 26 ASN H . 52742 1 118 . 1 . 1 26 26 ASN C C 13 175.548 0.00 . 1 . . . . . 26 ASN C . 52742 1 119 . 1 . 1 26 26 ASN CA C 13 53.448 0.00 . 1 . . . . . 26 ASN CA . 52742 1 120 . 1 . 1 26 26 ASN CB C 13 38.708 0.00 . 1 . . . . . 26 ASN CB . 52742 1 121 . 1 . 1 26 26 ASN N N 15 118.855 0.00 . 1 . . . . . 26 ASN N . 52742 1 122 . 1 . 1 27 27 GLN H H 1 8.428 0.00 . 1 . . . . . 27 GLN H . 52742 1 123 . 1 . 1 27 27 GLN C C 13 176.388 0.00 . 1 . . . . . 27 GLN C . 52742 1 124 . 1 . 1 27 27 GLN CA C 13 56.089 0.00 . 1 . . . . . 27 GLN CA . 52742 1 125 . 1 . 1 27 27 GLN CB C 13 29.140 0.00 . 1 . . . . . 27 GLN CB . 52742 1 126 . 1 . 1 27 27 GLN N N 15 120.251 0.00 . 1 . . . . . 27 GLN N . 52742 1 127 . 1 . 1 28 28 SER H H 1 8.413 0.00 . 1 . . . . . 28 SER H . 52742 1 128 . 1 . 1 28 28 SER C C 13 175.249 0.00 . 1 . . . . . 28 SER C . 52742 1 129 . 1 . 1 28 28 SER CA C 13 58.772 0.00 . 1 . . . . . 28 SER CA . 52742 1 130 . 1 . 1 28 28 SER CB C 13 63.733 0.00 . 1 . . . . . 28 SER CB . 52742 1 131 . 1 . 1 28 28 SER N N 15 116.562 0.02 . 1 . . . . . 28 SER N . 52742 1 132 . 1 . 1 29 29 GLY H H 1 8.497 0.00 . 1 . . . . . 29 GLY H . 52742 1 133 . 1 . 1 29 29 GLY C C 13 174.746 0.00 . 1 . . . . . 29 GLY C . 52742 1 134 . 1 . 1 29 29 GLY CA C 13 45.461 0.00 . 1 . . . . . 29 GLY CA . 52742 1 135 . 1 . 1 29 29 GLY N N 15 111.003 0.00 . 1 . . . . . 29 GLY N . 52742 1 136 . 1 . 1 30 30 GLY H H 1 8.313 0.00 . 1 . . . . . 30 GLY H . 52742 1 137 . 1 . 1 30 30 GLY C C 13 174.375 0.00 . 1 . . . . . 30 GLY C . 52742 1 138 . 1 . 1 30 30 GLY CA C 13 45.186 0.00 . 1 . . . . . 30 GLY CA . 52742 1 139 . 1 . 1 30 30 GLY N N 15 108.749 0.00 . 1 . . . . . 30 GLY N . 52742 1 140 . 1 . 1 31 31 SER H H 1 8.398 0.00 . 1 . . . . . 31 SER H . 52742 1 141 . 1 . 1 31 31 SER C C 13 175.280 0.00 . 1 . . . . . 31 SER C . 52742 1 142 . 1 . 1 31 31 SER CA C 13 58.454 0.00 . 1 . . . . . 31 SER CA . 52742 1 143 . 1 . 1 31 31 SER CB C 13 63.887 0.00 . 1 . . . . . 31 SER CB . 52742 1 144 . 1 . 1 31 31 SER N N 15 115.784 0.00 . 1 . . . . . 31 SER N . 52742 1 145 . 1 . 1 32 32 THR H H 1 8.348 0.00 . 1 . . . . . 32 THR H . 52742 1 146 . 1 . 1 32 32 THR C C 13 174.658 0.00 . 1 . . . . . 32 THR C . 52742 1 147 . 1 . 1 32 32 THR CA C 13 62.266 0.00 . 1 . . . . . 32 THR CA . 52742 1 148 . 1 . 1 32 32 THR CB C 13 69.568 0.00 . 1 . . . . . 32 THR CB . 52742 1 149 . 1 . 1 32 32 THR N N 15 116.113 0.00 . 1 . . . . . 32 THR N . 52742 1 150 . 1 . 1 33 33 ALA H H 1 8.310 0.00 . 1 . . . . . 33 ALA H . 52742 1 151 . 1 . 1 33 33 ALA C C 13 177.952 0.00 . 1 . . . . . 33 ALA C . 52742 1 152 . 1 . 1 33 33 ALA CA C 13 52.836 0.00 . 1 . . . . . 33 ALA CA . 52742 1 153 . 1 . 1 33 33 ALA CB C 13 19.124 0.00 . 1 . . . . . 33 ALA CB . 52742 1 154 . 1 . 1 33 33 ALA N N 15 126.085 0.01 . 1 . . . . . 33 ALA N . 52742 1 155 . 1 . 1 34 34 SER H H 1 8.294 0.00 . 1 . . . . . 34 SER H . 52742 1 156 . 1 . 1 34 34 SER C C 13 174.829 0.00 . 1 . . . . . 34 SER C . 52742 1 157 . 1 . 1 34 34 SER CA C 13 58.590 0.00 . 1 . . . . . 34 SER CA . 52742 1 158 . 1 . 1 34 34 SER CB C 13 63.694 0.00 . 1 . . . . . 34 SER CB . 52742 1 159 . 1 . 1 34 34 SER N N 15 115.102 0.00 . 1 . . . . . 34 SER N . 52742 1 160 . 1 . 1 35 35 LYS H H 1 8.363 0.00 . 1 . . . . . 35 LYS H . 52742 1 161 . 1 . 1 35 35 LYS C C 13 177.077 0.00 . 1 . . . . . 35 LYS C . 52742 1 162 . 1 . 1 35 35 LYS CA C 13 56.604 0.00 . 1 . . . . . 35 LYS CA . 52742 1 163 . 1 . 1 35 35 LYS CB C 13 32.823 0.00 . 1 . . . . . 35 LYS CB . 52742 1 164 . 1 . 1 35 35 LYS N N 15 123.228 0.00 . 1 . . . . . 35 LYS N . 52742 1 165 . 1 . 1 36 36 GLY H H 1 8.409 0.00 . 1 . . . . . 36 GLY H . 52742 1 166 . 1 . 1 36 36 GLY C C 13 173.748 0.00 . 1 . . . . . 36 GLY C . 52742 1 167 . 1 . 1 36 36 GLY CA C 13 45.172 0.00 . 1 . . . . . 36 GLY CA . 52742 1 168 . 1 . 1 36 36 GLY N N 15 109.724 0.00 . 1 . . . . . 36 GLY N . 52742 1 169 . 1 . 1 37 37 ARG H H 1 8.125 0.00 . 1 . . . . . 37 ARG H . 52742 1 170 . 1 . 1 37 37 ARG C C 13 175.665 0.00 . 1 . . . . . 37 ARG C . 52742 1 171 . 1 . 1 37 37 ARG CA C 13 55.870 0.00 . 1 . . . . . 37 ARG CA . 52742 1 172 . 1 . 1 37 37 ARG CB C 13 31.021 0.00 . 1 . . . . . 37 ARG CB . 52742 1 173 . 1 . 1 37 37 ARG N N 15 120.711 0.00 . 1 . . . . . 37 ARG N . 52742 1 174 . 1 . 1 38 38 TYR H H 1 8.486 0.00 . 1 . . . . . 38 TYR H . 52742 1 175 . 1 . 1 38 38 TYR C C 13 174.592 0.00 . 1 . . . . . 38 TYR C . 52742 1 176 . 1 . 1 38 38 TYR CA C 13 58.371 0.00 . 1 . . . . . 38 TYR CA . 52742 1 177 . 1 . 1 38 38 TYR CB C 13 38.743 0.00 . 1 . . . . . 38 TYR CB . 52742 1 178 . 1 . 1 38 38 TYR N N 15 123.563 0.00 . 1 . . . . . 38 TYR N . 52742 1 179 . 1 . 1 39 39 ILE H H 1 7.894 0.00 . 1 . . . . . 39 ILE H . 52742 1 180 . 1 . 1 39 39 ILE CA C 13 57.206 0.00 . 1 . . . . . 39 ILE CA . 52742 1 181 . 1 . 1 39 39 ILE CB C 13 39.364 0.00 . 1 . . . . . 39 ILE CB . 52742 1 182 . 1 . 1 39 39 ILE N N 15 129.266 0.00 . 1 . . . . . 39 ILE N . 52742 1 183 . 1 . 1 41 41 PRO C C 13 177.650 0.00 . 1 . . . . . 41 PRO C . 52742 1 184 . 1 . 1 41 41 PRO CA C 13 64.864 0.00 . 1 . . . . . 41 PRO CA . 52742 1 185 . 1 . 1 41 41 PRO CB C 13 32.180 0.00 . 1 . . . . . 41 PRO CB . 52742 1 186 . 1 . 1 42 42 HIS H H 1 8.257 0.00 . 1 . . . . . 42 HIS H . 52742 1 187 . 1 . 1 42 42 HIS C C 13 175.412 0.00 . 1 . . . . . 42 HIS C . 52742 1 188 . 1 . 1 42 42 HIS CA C 13 57.280 0.00 . 1 . . . . . 42 HIS CA . 52742 1 189 . 1 . 1 42 42 HIS CB C 13 29.506 0.00 . 1 . . . . . 42 HIS CB . 52742 1 190 . 1 . 1 42 42 HIS N N 15 115.247 0.01 . 1 . . . . . 42 HIS N . 52742 1 191 . 1 . 1 43 43 LEU H H 1 7.717 0.00 . 1 . . . . . 43 LEU H . 52742 1 192 . 1 . 1 43 43 LEU C C 13 177.128 0.00 . 1 . . . . . 43 LEU C . 52742 1 193 . 1 . 1 43 43 LEU CA C 13 54.441 0.00 . 1 . . . . . 43 LEU CA . 52742 1 194 . 1 . 1 43 43 LEU CB C 13 42.116 0.00 . 1 . . . . . 43 LEU CB . 52742 1 195 . 1 . 1 43 43 LEU N N 15 121.306 0.00 . 1 . . . . . 43 LEU N . 52742 1 196 . 1 . 1 44 44 ARG H H 1 7.709 0.00 . 1 . . . . . 44 ARG H . 52742 1 197 . 1 . 1 44 44 ARG C C 13 176.084 0.00 . 1 . . . . . 44 ARG C . 52742 1 198 . 1 . 1 44 44 ARG CA C 13 56.847 0.00 . 1 . . . . . 44 ARG CA . 52742 1 199 . 1 . 1 44 44 ARG CB C 13 30.668 0.00 . 1 . . . . . 44 ARG CB . 52742 1 200 . 1 . 1 44 44 ARG N N 15 120.705 0.00 . 1 . . . . . 44 ARG N . 52742 1 201 . 1 . 1 45 45 ASN H H 1 8.486 0.00 . 1 . . . . . 45 ASN H . 52742 1 202 . 1 . 1 45 45 ASN C C 13 175.405 0.00 . 1 . . . . . 45 ASN C . 52742 1 203 . 1 . 1 45 45 ASN CA C 13 53.394 0.00 . 1 . . . . . 45 ASN CA . 52742 1 204 . 1 . 1 45 45 ASN CB C 13 38.633 0.00 . 1 . . . . . 45 ASN CB . 52742 1 205 . 1 . 1 45 45 ASN N N 15 119.006 0.00 . 1 . . . . . 45 ASN N . 52742 1 206 . 1 . 1 46 46 ARG H H 1 8.335 0.00 . 1 . . . . . 46 ARG H . 52742 1 207 . 1 . 1 46 46 ARG C C 13 176.558 0.00 . 1 . . . . . 46 ARG C . 52742 1 208 . 1 . 1 46 46 ARG CA C 13 56.627 0.00 . 1 . . . . . 46 ARG CA . 52742 1 209 . 1 . 1 46 46 ARG CB C 13 30.575 0.00 . 1 . . . . . 46 ARG CB . 52742 1 210 . 1 . 1 46 46 ARG N N 15 121.566 0.00 . 1 . . . . . 46 ARG N . 52742 1 211 . 1 . 1 47 47 GLU H H 1 8.449 0.00 . 1 . . . . . 47 GLU H . 52742 1 212 . 1 . 1 47 47 GLU C C 13 176.547 0.00 . 1 . . . . . 47 GLU C . 52742 1 213 . 1 . 1 47 47 GLU CA C 13 56.908 0.00 . 1 . . . . . 47 GLU CA . 52742 1 214 . 1 . 1 47 47 GLU CB C 13 29.963 0.00 . 1 . . . . . 47 GLU CB . 52742 1 215 . 1 . 1 47 47 GLU N N 15 121.248 0.00 . 1 . . . . . 47 GLU N . 52742 1 216 . 1 . 1 48 48 ALA H H 1 8.288 0.00 . 1 . . . . . 48 ALA H . 52742 1 217 . 1 . 1 48 48 ALA C C 13 178.094 0.00 . 1 . . . . . 48 ALA C . 52742 1 218 . 1 . 1 48 48 ALA CA C 13 52.821 0.00 . 1 . . . . . 48 ALA CA . 52742 1 219 . 1 . 1 48 48 ALA CB C 13 19.152 0.00 . 1 . . . . . 48 ALA CB . 52742 1 220 . 1 . 1 48 48 ALA N N 15 124.339 0.00 . 1 . . . . . 48 ALA N . 52742 1 221 . 1 . 1 49 49 THR H H 1 8.059 0.00 . 1 . . . . . 49 THR H . 52742 1 222 . 1 . 1 49 49 THR C C 13 174.675 0.00 . 1 . . . . . 49 THR C . 52742 1 223 . 1 . 1 49 49 THR CA C 13 62.049 0.00 . 1 . . . . . 49 THR CA . 52742 1 224 . 1 . 1 49 49 THR CB C 13 69.811 0.00 . 1 . . . . . 49 THR CB . 52742 1 225 . 1 . 1 49 49 THR N N 15 113.007 0.00 . 1 . . . . . 49 THR N . 52742 1 226 . 1 . 1 50 50 LYS H H 1 8.303 0.00 . 1 . . . . . 50 LYS H . 52742 1 227 . 1 . 1 50 50 LYS C C 13 176.969 0.00 . 1 . . . . . 50 LYS C . 52742 1 228 . 1 . 1 50 50 LYS CA C 13 56.846 0.00 . 1 . . . . . 50 LYS CA . 52742 1 229 . 1 . 1 50 50 LYS CB C 13 32.806 0.00 . 1 . . . . . 50 LYS CB . 52742 1 230 . 1 . 1 50 50 LYS N N 15 123.704 0.00 . 1 . . . . . 50 LYS N . 52742 1 231 . 1 . 1 51 51 GLY H H 1 8.439 0.00 . 1 . . . . . 51 GLY H . 52742 1 232 . 1 . 1 51 51 GLY C C 13 173.752 0.00 . 1 . . . . . 51 GLY C . 52742 1 233 . 1 . 1 51 51 GLY CA C 13 45.141 0.00 . 1 . . . . . 51 GLY CA . 52742 1 234 . 1 . 1 51 51 GLY N N 15 110.019 0.00 . 1 . . . . . 51 GLY N . 52742 1 235 . 1 . 1 52 52 PHE H H 1 8.046 0.00 . 1 . . . . . 52 PHE H . 52742 1 236 . 1 . 1 52 52 PHE C C 13 175.369 0.00 . 1 . . . . . 52 PHE C . 52742 1 237 . 1 . 1 52 52 PHE CA C 13 58.274 0.00 . 1 . . . . . 52 PHE CA . 52742 1 238 . 1 . 1 52 52 PHE CB C 13 39.800 0.00 . 1 . . . . . 52 PHE CB . 52742 1 239 . 1 . 1 52 52 PHE N N 15 120.145 0.00 . 1 . . . . . 52 PHE N . 52742 1 240 . 1 . 1 53 53 TYR H H 1 8.198 0.00 . 1 . . . . . 53 TYR H . 52742 1 241 . 1 . 1 53 53 TYR C C 13 175.016 0.00 . 1 . . . . . 53 TYR C . 52742 1 242 . 1 . 1 53 53 TYR CA C 13 57.718 0.00 . 1 . . . . . 53 TYR CA . 52742 1 243 . 1 . 1 53 53 TYR CB C 13 38.860 0.00 . 1 . . . . . 53 TYR CB . 52742 1 244 . 1 . 1 53 53 TYR N N 15 120.739 0.00 . 1 . . . . . 53 TYR N . 52742 1 245 . 1 . 1 54 54 ASP H H 1 8.151 0.00 . 1 . . . . . 54 ASP H . 52742 1 246 . 1 . 1 54 54 ASP C C 13 176.202 0.00 . 1 . . . . . 54 ASP C . 52742 1 247 . 1 . 1 54 54 ASP CA C 13 54.015 0.00 . 1 . . . . . 54 ASP CA . 52742 1 248 . 1 . 1 54 54 ASP CB C 13 41.340 0.00 . 1 . . . . . 54 ASP CB . 52742 1 249 . 1 . 1 54 54 ASP N N 15 122.554 0.00 . 1 . . . . . 54 ASP N . 52742 1 250 . 1 . 1 55 55 LYS H H 1 8.215 0.00 . 1 . . . . . 55 LYS H . 52742 1 251 . 1 . 1 55 55 LYS C C 13 176.549 0.00 . 1 . . . . . 55 LYS C . 52742 1 252 . 1 . 1 55 55 LYS CA C 13 57.024 0.00 . 1 . . . . . 55 LYS CA . 52742 1 253 . 1 . 1 55 55 LYS CB C 13 32.683 0.00 . 1 . . . . . 55 LYS CB . 52742 1 254 . 1 . 1 55 55 LYS N N 15 121.927 0.03 . 1 . . . . . 55 LYS N . 52742 1 255 . 1 . 1 56 56 ASP H H 1 8.334 0.00 . 1 . . . . . 56 ASP H . 52742 1 256 . 1 . 1 56 56 ASP C C 13 176.570 0.00 . 1 . . . . . 56 ASP C . 52742 1 257 . 1 . 1 56 56 ASP CA C 13 54.628 0.00 . 1 . . . . . 56 ASP CA . 52742 1 258 . 1 . 1 56 56 ASP CB C 13 41.163 0.00 . 1 . . . . . 56 ASP CB . 52742 1 259 . 1 . 1 56 56 ASP N N 15 120.343 0.01 . 1 . . . . . 56 ASP N . 52742 1 260 . 1 . 1 57 57 SER H H 1 8.178 0.00 . 1 . . . . . 57 SER H . 52742 1 261 . 1 . 1 57 57 SER C C 13 175.098 0.00 . 1 . . . . . 57 SER C . 52742 1 262 . 1 . 1 57 57 SER CA C 13 58.659 0.00 . 1 . . . . . 57 SER CA . 52742 1 263 . 1 . 1 57 57 SER CB C 13 63.653 0.00 . 1 . . . . . 57 SER CB . 52742 1 264 . 1 . 1 57 57 SER N N 15 116.492 0.00 . 1 . . . . . 57 SER N . 52742 1 265 . 1 . 1 58 58 SER H H 1 8.444 0.00 . 1 . . . . . 58 SER H . 52742 1 266 . 1 . 1 58 58 SER C C 13 175.206 0.00 . 1 . . . . . 58 SER C . 52742 1 267 . 1 . 1 58 58 SER CA C 13 59.328 0.00 . 1 . . . . . 58 SER CA . 52742 1 268 . 1 . 1 58 58 SER CB C 13 63.659 0.00 . 1 . . . . . 58 SER CB . 52742 1 269 . 1 . 1 58 58 SER N N 15 118.041 0.00 . 1 . . . . . 58 SER N . 52742 1 270 . 1 . 1 59 59 GLY H H 1 8.359 0.00 . 1 . . . . . 59 GLY H . 52742 1 271 . 1 . 1 59 59 GLY C C 13 174.011 0.00 . 1 . . . . . 59 GLY C . 52742 1 272 . 1 . 1 59 59 GLY CA C 13 45.378 0.00 . 1 . . . . . 59 GLY CA . 52742 1 273 . 1 . 1 59 59 GLY N N 15 110.383 0.00 . 1 . . . . . 59 GLY N . 52742 1 274 . 1 . 1 60 60 TRP H H 1 8.030 0.00 . 1 . . . . . 60 TRP H . 52742 1 275 . 1 . 1 60 60 TRP C C 13 176.464 0.00 . 1 . . . . . 60 TRP C . 52742 1 276 . 1 . 1 60 60 TRP CA C 13 57.758 0.00 . 1 . . . . . 60 TRP CA . 52742 1 277 . 1 . 1 60 60 TRP CB C 13 29.659 0.00 . 1 . . . . . 60 TRP CB . 52742 1 278 . 1 . 1 60 60 TRP N N 15 121.311 0.00 . 1 . . . . . 60 TRP N . 52742 1 279 . 1 . 1 61 61 SER H H 1 8.066 0.00 . 1 . . . . . 61 SER H . 52742 1 280 . 1 . 1 61 61 SER C C 13 174.195 0.00 . 1 . . . . . 61 SER C . 52742 1 281 . 1 . 1 61 61 SER CA C 13 58.122 0.00 . 1 . . . . . 61 SER CA . 52742 1 282 . 1 . 1 61 61 SER CB C 13 63.938 0.00 . 1 . . . . . 61 SER CB . 52742 1 283 . 1 . 1 61 61 SER N N 15 117.544 0.00 . 1 . . . . . 61 SER N . 52742 1 284 . 1 . 1 62 62 SER H H 1 8.272 0.00 . 1 . . . . . 62 SER H . 52742 1 285 . 1 . 1 62 62 SER C C 13 174.832 0.00 . 1 . . . . . 62 SER C . 52742 1 286 . 1 . 1 62 62 SER CA C 13 58.499 0.00 . 1 . . . . . 62 SER CA . 52742 1 287 . 1 . 1 62 62 SER CB C 13 63.843 0.00 . 1 . . . . . 62 SER CB . 52742 1 288 . 1 . 1 62 62 SER N N 15 117.623 0.00 . 1 . . . . . 62 SER N . 52742 1 289 . 1 . 1 63 63 SER H H 1 8.319 0.00 . 1 . . . . . 63 SER H . 52742 1 290 . 1 . 1 63 63 SER C C 13 174.848 0.00 . 1 . . . . . 63 SER C . 52742 1 291 . 1 . 1 63 63 SER CA C 13 58.866 0.00 . 1 . . . . . 63 SER CA . 52742 1 292 . 1 . 1 63 63 SER CB C 13 63.655 0.00 . 1 . . . . . 63 SER CB . 52742 1 293 . 1 . 1 63 63 SER N N 15 117.788 0.00 . 1 . . . . . 63 SER N . 52742 1 294 . 1 . 1 64 64 LYS H H 1 8.247 0.00 . 1 . . . . . 64 LYS H . 52742 1 295 . 1 . 1 64 64 LYS C C 13 176.580 0.00 . 1 . . . . . 64 LYS C . 52742 1 296 . 1 . 1 64 64 LYS CA C 13 56.725 0.00 . 1 . . . . . 64 LYS CA . 52742 1 297 . 1 . 1 64 64 LYS CB C 13 32.722 0.00 . 1 . . . . . 64 LYS CB . 52742 1 298 . 1 . 1 64 64 LYS N N 15 122.902 0.00 . 1 . . . . . 64 LYS N . 52742 1 299 . 1 . 1 65 65 ASP H H 1 8.216 0.00 . 1 . . . . . 65 ASP H . 52742 1 300 . 1 . 1 65 65 ASP C C 13 176.489 0.00 . 1 . . . . . 65 ASP C . 52742 1 301 . 1 . 1 65 65 ASP CA C 13 54.676 0.00 . 1 . . . . . 65 ASP CA . 52742 1 302 . 1 . 1 65 65 ASP CB C 13 41.109 0.00 . 1 . . . . . 65 ASP CB . 52742 1 303 . 1 . 1 65 65 ASP N N 15 120.769 0.00 . 1 . . . . . 65 ASP N . 52742 1 304 . 1 . 1 66 66 LYS H H 1 8.187 0.00 . 1 . . . . . 66 LYS H . 52742 1 305 . 1 . 1 66 66 LYS C C 13 176.744 0.00 . 1 . . . . . 66 LYS C . 52742 1 306 . 1 . 1 66 66 LYS CA C 13 56.986 0.00 . 1 . . . . . 66 LYS CA . 52742 1 307 . 1 . 1 66 66 LYS CB C 13 32.715 0.00 . 1 . . . . . 66 LYS CB . 52742 1 308 . 1 . 1 66 66 LYS N N 15 121.347 0.00 . 1 . . . . . 66 LYS N . 52742 1 309 . 1 . 1 67 67 ASP H H 1 8.314 0.00 . 1 . . . . . 67 ASP H . 52742 1 310 . 1 . 1 67 67 ASP C C 13 176.307 0.00 . 1 . . . . . 67 ASP C . 52742 1 311 . 1 . 1 67 67 ASP CA C 13 54.665 0.00 . 1 . . . . . 67 ASP CA . 52742 1 312 . 1 . 1 67 67 ASP CB C 13 41.058 0.00 . 1 . . . . . 67 ASP CB . 52742 1 313 . 1 . 1 67 67 ASP N N 15 120.571 0.00 . 1 . . . . . 67 ASP N . 52742 1 314 . 1 . 1 68 68 ALA H H 1 8.063 0.00 . 1 . . . . . 68 ALA H . 52742 1 315 . 1 . 1 68 68 ALA C C 13 177.751 0.00 . 1 . . . . . 68 ALA C . 52742 1 316 . 1 . 1 68 68 ALA CA C 13 53.018 0.00 . 1 . . . . . 68 ALA CA . 52742 1 317 . 1 . 1 68 68 ALA CB C 13 19.014 0.00 . 1 . . . . . 68 ALA CB . 52742 1 318 . 1 . 1 68 68 ALA N N 15 123.570 0.01 . 1 . . . . . 68 ALA N . 52742 1 319 . 1 . 1 69 69 TYR H H 1 8.134 0.00 . 1 . . . . . 69 TYR H . 52742 1 320 . 1 . 1 69 69 TYR C C 13 176.134 0.00 . 1 . . . . . 69 TYR C . 52742 1 321 . 1 . 1 69 69 TYR CA C 13 58.205 0.00 . 1 . . . . . 69 TYR CA . 52742 1 322 . 1 . 1 69 69 TYR CB C 13 38.556 0.00 . 1 . . . . . 69 TYR CB . 52742 1 323 . 1 . 1 69 69 TYR N N 15 118.551 0.00 . 1 . . . . . 69 TYR N . 52742 1 324 . 1 . 1 70 70 SER H H 1 8.043 0.00 . 1 . . . . . 70 SER H . 52742 1 325 . 1 . 1 70 70 SER C C 13 174.462 0.00 . 1 . . . . . 70 SER C . 52742 1 326 . 1 . 1 70 70 SER CA C 13 58.308 0.00 . 1 . . . . . 70 SER CA . 52742 1 327 . 1 . 1 70 70 SER CB C 13 63.909 0.00 . 1 . . . . . 70 SER CB . 52742 1 328 . 1 . 1 70 70 SER N N 15 116.903 0.00 . 1 . . . . . 70 SER N . 52742 1 329 . 1 . 1 71 71 SER H H 1 8.270 0.00 . 1 . . . . . 71 SER H . 52742 1 330 . 1 . 1 71 71 SER C C 13 174.303 0.00 . 1 . . . . . 71 SER C . 52742 1 331 . 1 . 1 71 71 SER CA C 13 58.570 0.00 . 1 . . . . . 71 SER CA . 52742 1 332 . 1 . 1 71 71 SER CB C 13 63.661 0.00 . 1 . . . . . 71 SER CB . 52742 1 333 . 1 . 1 71 71 SER N N 15 117.819 0.00 . 1 . . . . . 71 SER N . 52742 1 334 . 1 . 1 72 72 PHE H H 1 8.210 0.00 . 1 . . . . . 72 PHE H . 52742 1 335 . 1 . 1 72 72 PHE C C 13 176.355 0.00 . 1 . . . . . 72 PHE C . 52742 1 336 . 1 . 1 72 72 PHE CA C 13 58.173 0.00 . 1 . . . . . 72 PHE CA . 52742 1 337 . 1 . 1 72 72 PHE CB C 13 39.434 0.00 . 1 . . . . . 72 PHE CB . 52742 1 338 . 1 . 1 72 72 PHE N N 15 121.834 0.00 . 1 . . . . . 72 PHE N . 52742 1 339 . 1 . 1 73 73 GLY H H 1 8.326 0.00 . 1 . . . . . 73 GLY H . 52742 1 340 . 1 . 1 73 73 GLY C C 13 174.052 0.00 . 1 . . . . . 73 GLY C . 52742 1 341 . 1 . 1 73 73 GLY CA C 13 45.361 0.00 . 1 . . . . . 73 GLY CA . 52742 1 342 . 1 . 1 73 73 GLY N N 15 110.664 0.00 . 1 . . . . . 73 GLY N . 52742 1 343 . 1 . 1 74 74 SER H H 1 8.250 0.00 . 1 . . . . . 74 SER H . 52742 1 344 . 1 . 1 74 74 SER C C 13 174.589 0.00 . 1 . . . . . 74 SER C . 52742 1 345 . 1 . 1 74 74 SER CA C 13 58.276 0.00 . 1 . . . . . 74 SER CA . 52742 1 346 . 1 . 1 74 74 SER CB C 13 64.075 0.00 . 1 . . . . . 74 SER CB . 52742 1 347 . 1 . 1 74 74 SER N N 15 115.840 0.00 . 1 . . . . . 74 SER N . 52742 1 348 . 1 . 1 75 75 ALA H H 1 8.519 0.00 . 1 . . . . . 75 ALA H . 52742 1 349 . 1 . 1 75 75 ALA C C 13 178.084 0.00 . 1 . . . . . 75 ALA C . 52742 1 350 . 1 . 1 75 75 ALA CA C 13 52.890 0.00 . 1 . . . . . 75 ALA CA . 52742 1 351 . 1 . 1 75 75 ALA N N 15 126.141 0.00 . 1 . . . . . 75 ALA N . 52742 1 352 . 1 . 1 76 76 SER H H 1 8.302 0.00 . 1 . . . . . 76 SER H . 52742 1 353 . 1 . 1 76 76 SER C C 13 174.579 0.00 . 1 . . . . . 76 SER C . 52742 1 354 . 1 . 1 76 76 SER CA C 13 58.605 0.00 . 1 . . . . . 76 SER CA . 52742 1 355 . 1 . 1 76 76 SER CB C 13 63.700 0.00 . 1 . . . . . 76 SER CB . 52742 1 356 . 1 . 1 76 76 SER N N 15 114.604 0.00 . 1 . . . . . 76 SER N . 52742 1 357 . 1 . 1 77 77 ASP H H 1 8.301 0.00 . 1 . . . . . 77 ASP H . 52742 1 358 . 1 . 1 77 77 ASP C C 13 176.553 0.00 . 1 . . . . . 77 ASP C . 52742 1 359 . 1 . 1 77 77 ASP CA C 13 54.488 0.00 . 1 . . . . . 77 ASP CA . 52742 1 360 . 1 . 1 77 77 ASP CB C 13 41.074 0.00 . 1 . . . . . 77 ASP CB . 52742 1 361 . 1 . 1 77 77 ASP N N 15 122.369 0.00 . 1 . . . . . 77 ASP N . 52742 1 362 . 1 . 1 78 78 SER H H 1 8.239 0.00 . 1 . . . . . 78 SER H . 52742 1 363 . 1 . 1 78 78 SER C C 13 174.681 0.00 . 1 . . . . . 78 SER C . 52742 1 364 . 1 . 1 78 78 SER CA C 13 58.703 0.00 . 1 . . . . . 78 SER CA . 52742 1 365 . 1 . 1 78 78 SER CB C 13 63.720 0.00 . 1 . . . . . 78 SER CB . 52742 1 366 . 1 . 1 78 78 SER N N 15 116.070 0.00 . 1 . . . . . 78 SER N . 52742 1 367 . 1 . 1 79 79 ALA H H 1 8.341 0.00 . 1 . . . . . 79 ALA H . 52742 1 368 . 1 . 1 79 79 ALA C C 13 178.395 0.00 . 1 . . . . . 79 ALA C . 52742 1 369 . 1 . 1 79 79 ALA CA C 13 52.999 0.00 . 1 . . . . . 79 ALA CA . 52742 1 370 . 1 . 1 79 79 ALA CB C 13 18.982 0.00 . 1 . . . . . 79 ALA CB . 52742 1 371 . 1 . 1 79 79 ALA N N 15 125.798 0.01 . 1 . . . . . 79 ALA N . 52742 1 372 . 1 . 1 80 80 GLY H H 1 8.311 0.00 . 1 . . . . . 80 GLY H . 52742 1 373 . 1 . 1 80 80 GLY C C 13 174.158 0.00 . 1 . . . . . 80 GLY C . 52742 1 374 . 1 . 1 80 80 GLY CA C 13 45.261 0.00 . 1 . . . . . 80 GLY CA . 52742 1 375 . 1 . 1 80 80 GLY N N 15 107.920 0.00 . 1 . . . . . 80 GLY N . 52742 1 376 . 1 . 1 81 81 ALA H H 1 8.169 0.00 . 1 . . . . . 81 ALA H . 52742 1 377 . 1 . 1 81 81 ALA C C 13 178.097 0.00 . 1 . . . . . 81 ALA C . 52742 1 378 . 1 . 1 81 81 ALA CA C 13 52.769 0.00 . 1 . . . . . 81 ALA CA . 52742 1 379 . 1 . 1 81 81 ALA CB C 13 19.314 0.00 . 1 . . . . . 81 ALA CB . 52742 1 380 . 1 . 1 81 81 ALA N N 15 123.827 0.00 . 1 . . . . . 81 ALA N . 52742 1 381 . 1 . 1 82 82 SER H H 1 8.377 0.00 . 1 . . . . . 82 SER H . 52742 1 382 . 1 . 1 82 82 SER C C 13 174.746 0.00 . 1 . . . . . 82 SER C . 52742 1 383 . 1 . 1 82 82 SER CA C 13 58.452 0.00 . 1 . . . . . 82 SER CA . 52742 1 384 . 1 . 1 82 82 SER CB C 13 63.869 0.00 . 1 . . . . . 82 SER CB . 52742 1 385 . 1 . 1 82 82 SER N N 15 114.829 0.00 . 1 . . . . . 82 SER N . 52742 1 386 . 1 . 1 83 83 SER H H 1 8.255 0.00 . 1 . . . . . 83 SER H . 52742 1 387 . 1 . 1 83 83 SER C C 13 174.023 0.00 . 1 . . . . . 83 SER C . 52742 1 388 . 1 . 1 83 83 SER CA C 13 58.506 0.00 . 1 . . . . . 83 SER CA . 52742 1 389 . 1 . 1 83 83 SER CB C 13 63.744 0.00 . 1 . . . . . 83 SER CB . 52742 1 390 . 1 . 1 83 83 SER N N 15 117.700 0.00 . 1 . . . . . 83 SER N . 52742 1 391 . 1 . 1 84 84 PHE H H 1 8.133 0.00 . 1 . . . . . 84 PHE H . 52742 1 392 . 1 . 1 84 84 PHE C C 13 175.312 0.00 . 1 . . . . . 84 PHE C . 52742 1 393 . 1 . 1 84 84 PHE CA C 13 58.099 0.00 . 1 . . . . . 84 PHE CA . 52742 1 394 . 1 . 1 84 84 PHE CB C 13 39.622 0.00 . 1 . . . . . 84 PHE CB . 52742 1 395 . 1 . 1 84 84 PHE N N 15 121.805 0.00 . 1 . . . . . 84 PHE N . 52742 1 396 . 1 . 1 85 85 PHE H H 1 8.129 0.00 . 1 . . . . . 85 PHE H . 52742 1 397 . 1 . 1 85 85 PHE C C 13 175.407 0.00 . 1 . . . . . 85 PHE C . 52742 1 398 . 1 . 1 85 85 PHE CA C 13 57.638 0.00 . 1 . . . . . 85 PHE CA . 52742 1 399 . 1 . 1 85 85 PHE CB C 13 39.757 0.00 . 1 . . . . . 85 PHE CB . 52742 1 400 . 1 . 1 85 85 PHE N N 15 121.195 0.00 . 1 . . . . . 85 PHE N . 52742 1 401 . 1 . 1 86 86 SER H H 1 8.154 0.00 . 1 . . . . . 86 SER H . 52742 1 402 . 1 . 1 86 86 SER C C 13 174.016 0.00 . 1 . . . . . 86 SER C . 52742 1 403 . 1 . 1 86 86 SER CA C 13 58.167 0.00 . 1 . . . . . 86 SER CA . 52742 1 404 . 1 . 1 86 86 SER CB C 13 63.980 0.00 . 1 . . . . . 86 SER CB . 52742 1 405 . 1 . 1 86 86 SER N N 15 117.414 0.00 . 1 . . . . . 86 SER N . 52742 1 406 . 1 . 1 87 87 ASP H H 1 8.360 0.00 . 1 . . . . . 87 ASP H . 52742 1 407 . 1 . 1 87 87 ASP C C 13 176.198 0.00 . 1 . . . . . 87 ASP C . 52742 1 408 . 1 . 1 87 87 ASP CA C 13 54.255 0.00 . 1 . . . . . 87 ASP CA . 52742 1 409 . 1 . 1 87 87 ASP CB C 13 41.216 0.00 . 1 . . . . . 87 ASP CB . 52742 1 410 . 1 . 1 87 87 ASP N N 15 122.911 0.00 . 1 . . . . . 87 ASP N . 52742 1 411 . 1 . 1 88 88 ALA H H 1 8.314 0.00 . 1 . . . . . 88 ALA H . 52742 1 412 . 1 . 1 88 88 ALA C C 13 178.469 0.00 . 1 . . . . . 88 ALA C . 52742 1 413 . 1 . 1 88 88 ALA CA C 13 53.015 0.00 . 1 . . . . . 88 ALA CA . 52742 1 414 . 1 . 1 88 88 ALA CB C 13 19.002 0.00 . 1 . . . . . 88 ALA CB . 52742 1 415 . 1 . 1 88 88 ALA N N 15 124.499 0.00 . 1 . . . . . 88 ALA N . 52742 1 416 . 1 . 1 89 89 GLY H H 1 8.441 0.00 . 1 . . . . . 89 GLY H . 52742 1 417 . 1 . 1 89 89 GLY C C 13 174.584 0.00 . 1 . . . . . 89 GLY C . 52742 1 418 . 1 . 1 89 89 GLY CA C 13 45.352 0.00 . 1 . . . . . 89 GLY CA . 52742 1 419 . 1 . 1 89 89 GLY N N 15 107.961 0.00 . 1 . . . . . 89 GLY N . 52742 1 420 . 1 . 1 90 90 SER H H 1 8.269 0.00 . 1 . . . . . 90 SER H . 52742 1 421 . 1 . 1 90 90 SER C C 13 175.309 0.00 . 1 . . . . . 90 SER C . 52742 1 422 . 1 . 1 90 90 SER CA C 13 58.728 0.00 . 1 . . . . . 90 SER CA . 52742 1 423 . 1 . 1 90 90 SER CB C 13 63.847 0.00 . 1 . . . . . 90 SER CB . 52742 1 424 . 1 . 1 90 90 SER N N 15 115.793 0.00 . 1 . . . . . 90 SER N . 52742 1 425 . 1 . 1 91 91 GLY H H 1 8.556 0.00 . 1 . . . . . 91 GLY H . 52742 1 426 . 1 . 1 91 91 GLY C C 13 174.041 0.00 . 1 . . . . . 91 GLY C . 52742 1 427 . 1 . 1 91 91 GLY CA C 13 45.410 0.00 . 1 . . . . . 91 GLY CA . 52742 1 428 . 1 . 1 91 91 GLY N N 15 111.160 0.00 . 1 . . . . . 91 GLY N . 52742 1 429 . 1 . 1 92 92 SER H H 1 8.240 0.00 . 1 . . . . . 92 SER H . 52742 1 430 . 1 . 1 92 92 SER C C 13 174.486 0.00 . 1 . . . . . 92 SER C . 52742 1 431 . 1 . 1 92 92 SER CA C 13 58.356 0.00 . 1 . . . . . 92 SER CA . 52742 1 432 . 1 . 1 92 92 SER CB C 13 63.927 0.00 . 1 . . . . . 92 SER CB . 52742 1 433 . 1 . 1 92 92 SER N N 15 115.875 0.00 . 1 . . . . . 92 SER N . 52742 1 434 . 1 . 1 93 93 ALA H H 1 8.463 0.00 . 1 . . . . . 93 ALA H . 52742 1 435 . 1 . 1 93 93 ALA C C 13 178.187 0.00 . 1 . . . . . 93 ALA C . 52742 1 436 . 1 . 1 93 93 ALA CA C 13 52.844 0.00 . 1 . . . . . 93 ALA CA . 52742 1 437 . 1 . 1 93 93 ALA CB C 13 19.111 0.00 . 1 . . . . . 93 ALA CB . 52742 1 438 . 1 . 1 93 93 ALA N N 15 126.056 0.00 . 1 . . . . . 93 ALA N . 52742 1 439 . 1 . 1 94 94 GLY H H 1 8.355 0.00 . 1 . . . . . 94 GLY H . 52742 1 440 . 1 . 1 94 94 GLY C C 13 173.755 0.00 . 1 . . . . . 94 GLY C . 52742 1 441 . 1 . 1 94 94 GLY CA C 13 45.164 0.00 . 1 . . . . . 94 GLY CA . 52742 1 442 . 1 . 1 94 94 GLY N N 15 108.285 0.00 . 1 . . . . . 94 GLY N . 52742 1 443 . 1 . 1 95 95 ALA H H 1 8.074 0.00 . 1 . . . . . 95 ALA H . 52742 1 444 . 1 . 1 95 95 ALA C C 13 177.524 0.00 . 1 . . . . . 95 ALA C . 52742 1 445 . 1 . 1 95 95 ALA CA C 13 52.449 0.00 . 1 . . . . . 95 ALA CA . 52742 1 446 . 1 . 1 95 95 ALA CB C 13 19.297 0.00 . 1 . . . . . 95 ALA CB . 52742 1 447 . 1 . 1 95 95 ALA N N 15 123.517 0.01 . 1 . . . . . 95 ALA N . 52742 1 448 . 1 . 1 96 96 PHE H H 1 8.278 0.00 . 1 . . . . . 96 PHE H . 52742 1 449 . 1 . 1 96 96 PHE C C 13 175.472 0.00 . 1 . . . . . 96 PHE C . 52742 1 450 . 1 . 1 96 96 PHE CA C 13 57.550 0.00 . 1 . . . . . 96 PHE CA . 52742 1 451 . 1 . 1 96 96 PHE CB C 13 39.523 0.00 . 1 . . . . . 96 PHE CB . 52742 1 452 . 1 . 1 96 96 PHE N N 15 119.166 0.00 . 1 . . . . . 96 PHE N . 52742 1 453 . 1 . 1 97 97 ASP H H 1 8.220 0.00 . 1 . . . . . 97 ASP H . 52742 1 454 . 1 . 1 97 97 ASP C C 13 175.721 0.00 . 1 . . . . . 97 ASP C . 52742 1 455 . 1 . 1 97 97 ASP CA C 13 54.087 0.00 . 1 . . . . . 97 ASP CA . 52742 1 456 . 1 . 1 97 97 ASP CB C 13 41.190 0.00 . 1 . . . . . 97 ASP CB . 52742 1 457 . 1 . 1 97 97 ASP N N 15 121.978 0.00 . 1 . . . . . 97 ASP N . 52742 1 458 . 1 . 1 98 98 ASP H H 1 8.236 0.00 . 1 . . . . . 98 ASP H . 52742 1 459 . 1 . 1 98 98 ASP C C 13 176.423 0.00 . 1 . . . . . 98 ASP C . 52742 1 460 . 1 . 1 98 98 ASP CA C 13 54.251 0.00 . 1 . . . . . 98 ASP CA . 52742 1 461 . 1 . 1 98 98 ASP CB C 13 41.140 0.00 . 1 . . . . . 98 ASP CB . 52742 1 462 . 1 . 1 98 98 ASP N N 15 121.453 0.00 . 1 . . . . . 98 ASP N . 52742 1 463 . 1 . 1 99 99 ALA H H 1 8.346 0.00 . 1 . . . . . 99 ALA H . 52742 1 464 . 1 . 1 99 99 ALA C C 13 178.486 0.00 . 1 . . . . . 99 ALA C . 52742 1 465 . 1 . 1 99 99 ALA CA C 13 53.135 0.00 . 1 . . . . . 99 ALA CA . 52742 1 466 . 1 . 1 99 99 ALA CB C 13 18.880 0.00 . 1 . . . . . 99 ALA CB . 52742 1 467 . 1 . 1 99 99 ALA N N 15 124.563 0.00 . 1 . . . . . 99 ALA N . 52742 1 468 . 1 . 1 100 100 GLY H H 1 8.398 0.00 . 1 . . . . . 100 GLY H . 52742 1 469 . 1 . 1 100 100 GLY C C 13 174.232 0.00 . 1 . . . . . 100 GLY C . 52742 1 470 . 1 . 1 100 100 GLY CA C 13 45.320 0.00 . 1 . . . . . 100 GLY CA . 52742 1 471 . 1 . 1 100 100 GLY N N 15 107.682 0.00 . 1 . . . . . 100 GLY N . 52742 1 472 . 1 . 1 101 101 ALA H H 1 8.061 0.00 . 1 . . . . . 101 ALA H . 52742 1 473 . 1 . 1 101 101 ALA C C 13 178.081 0.00 . 1 . . . . . 101 ALA C . 52742 1 474 . 1 . 1 101 101 ALA CA C 13 52.745 0.00 . 1 . . . . . 101 ALA CA . 52742 1 475 . 1 . 1 101 101 ALA CB C 13 19.320 0.00 . 1 . . . . . 101 ALA CB . 52742 1 476 . 1 . 1 101 101 ALA N N 15 123.675 0.00 . 1 . . . . . 101 ALA N . 52742 1 477 . 1 . 1 102 102 SER H H 1 8.387 0.00 . 1 . . . . . 102 SER H . 52742 1 478 . 1 . 1 102 102 SER C C 13 174.332 0.00 . 1 . . . . . 102 SER C . 52742 1 479 . 1 . 1 102 102 SER CA C 13 58.514 0.00 . 1 . . . . . 102 SER CA . 52742 1 480 . 1 . 1 102 102 SER CB C 13 63.854 0.00 . 1 . . . . . 102 SER CB . 52742 1 481 . 1 . 1 102 102 SER N N 15 114.888 0.00 . 1 . . . . . 102 SER N . 52742 1 482 . 1 . 1 103 103 ASP H H 1 8.296 0.00 . 1 . . . . . 103 ASP H . 52742 1 483 . 1 . 1 103 103 ASP C C 13 176.015 0.00 . 1 . . . . . 103 ASP C . 52742 1 484 . 1 . 1 103 103 ASP CA C 13 54.289 0.00 . 1 . . . . . 103 ASP CA . 52742 1 485 . 1 . 1 103 103 ASP CB C 13 40.934 0.00 . 1 . . . . . 103 ASP CB . 52742 1 486 . 1 . 1 103 103 ASP N N 15 121.927 0.00 . 1 . . . . . 103 ASP N . 52742 1 487 . 1 . 1 104 104 TYR H H 1 8.107 0.00 . 1 . . . . . 104 TYR H . 52742 1 488 . 1 . 1 104 104 TYR C C 13 175.758 0.00 . 1 . . . . . 104 TYR C . 52742 1 489 . 1 . 1 104 104 TYR CA C 13 58.311 0.00 . 1 . . . . . 104 TYR CA . 52742 1 490 . 1 . 1 104 104 TYR CB C 13 38.699 0.00 . 1 . . . . . 104 TYR CB . 52742 1 491 . 1 . 1 104 104 TYR N N 15 120.521 0.00 . 1 . . . . . 104 TYR N . 52742 1 492 . 1 . 1 105 105 ASP H H 1 8.238 0.00 . 1 . . . . . 105 ASP H . 52742 1 493 . 1 . 1 105 105 ASP C C 13 176.464 0.00 . 1 . . . . . 105 ASP C . 52742 1 494 . 1 . 1 105 105 ASP CA C 13 54.207 0.00 . 1 . . . . . 105 ASP CA . 52742 1 495 . 1 . 1 105 105 ASP CB C 13 41.152 0.00 . 1 . . . . . 105 ASP CB . 52742 1 496 . 1 . 1 105 105 ASP N N 15 122.528 0.00 . 1 . . . . . 105 ASP N . 52742 1 497 . 1 . 1 106 106 GLY H H 1 7.554 0.00 . 1 . . . . . 106 GLY H . 52742 1 498 . 1 . 1 106 106 GLY C C 13 174.311 0.00 . 1 . . . . . 106 GLY C . 52742 1 499 . 1 . 1 106 106 GLY CA C 13 45.477 0.00 . 1 . . . . . 106 GLY CA . 52742 1 500 . 1 . 1 106 106 GLY N N 15 108.300 0.00 . 1 . . . . . 106 GLY N . 52742 1 501 . 1 . 1 107 107 ILE H H 1 8.101 0.00 . 1 . . . . . 107 ILE H . 52742 1 502 . 1 . 1 107 107 ILE C C 13 177.186 0.00 . 1 . . . . . 107 ILE C . 52742 1 503 . 1 . 1 107 107 ILE CA C 13 61.890 0.00 . 1 . . . . . 107 ILE CA . 52742 1 504 . 1 . 1 107 107 ILE CB C 13 38.437 0.00 . 1 . . . . . 107 ILE CB . 52742 1 505 . 1 . 1 107 107 ILE N N 15 120.242 0.00 . 1 . . . . . 107 ILE N . 52742 1 506 . 1 . 1 108 108 GLY H H 1 8.671 0.00 . 1 . . . . . 108 GLY H . 52742 1 507 . 1 . 1 108 108 GLY C C 13 174.413 0.00 . 1 . . . . . 108 GLY C . 52742 1 508 . 1 . 1 108 108 GLY CA C 13 45.383 0.00 . 1 . . . . . 108 GLY CA . 52742 1 509 . 1 . 1 108 108 GLY N N 15 112.518 0.00 . 1 . . . . . 108 GLY N . 52742 1 510 . 1 . 1 109 109 SER H H 1 8.287 0.00 . 1 . . . . . 109 SER H . 52742 1 511 . 1 . 1 109 109 SER C C 13 174.957 0.00 . 1 . . . . . 109 SER C . 52742 1 512 . 1 . 1 109 109 SER CA C 13 58.495 0.00 . 1 . . . . . 109 SER CA . 52742 1 513 . 1 . 1 109 109 SER CB C 13 63.877 0.00 . 1 . . . . . 109 SER CB . 52742 1 514 . 1 . 1 109 109 SER N N 15 115.931 0.00 . 1 . . . . . 109 SER N . 52742 1 515 . 1 . 1 110 110 ARG H H 1 8.462 0.00 . 1 . . . . . 110 ARG H . 52742 1 516 . 1 . 1 110 110 ARG C C 13 176.975 0.00 . 1 . . . . . 110 ARG C . 52742 1 517 . 1 . 1 110 110 ARG CA C 13 56.628 0.00 . 1 . . . . . 110 ARG CA . 52742 1 518 . 1 . 1 110 110 ARG CB C 13 30.548 0.00 . 1 . . . . . 110 ARG CB . 52742 1 519 . 1 . 1 110 110 ARG N N 15 122.647 0.00 . 1 . . . . . 110 ARG N . 52742 1 520 . 1 . 1 111 111 GLY H H 1 8.377 0.00 . 1 . . . . . 111 GLY H . 52742 1 521 . 1 . 1 111 111 GLY C C 13 173.853 0.00 . 1 . . . . . 111 GLY C . 52742 1 522 . 1 . 1 111 111 GLY CA C 13 45.328 0.00 . 1 . . . . . 111 GLY CA . 52742 1 523 . 1 . 1 111 111 GLY N N 15 109.233 0.00 . 1 . . . . . 111 GLY N . 52742 1 524 . 1 . 1 112 112 ASP H H 1 8.246 0.00 . 1 . . . . . 112 ASP H . 52742 1 525 . 1 . 1 112 112 ASP C C 13 176.683 0.00 . 1 . . . . . 112 ASP C . 52742 1 526 . 1 . 1 112 112 ASP CA C 13 54.321 0.00 . 1 . . . . . 112 ASP CA . 52742 1 527 . 1 . 1 112 112 ASP CB C 13 41.117 0.00 . 1 . . . . . 112 ASP CB . 52742 1 528 . 1 . 1 112 112 ASP N N 15 120.337 0.01 . 1 . . . . . 112 ASP N . 52742 1 529 . 1 . 1 113 113 ARG H H 1 8.446 0.00 . 1 . . . . . 113 ARG H . 52742 1 530 . 1 . 1 113 113 ARG C C 13 176.691 0.00 . 1 . . . . . 113 ARG C . 52742 1 531 . 1 . 1 113 113 ARG CA C 13 56.208 0.00 . 1 . . . . . 113 ARG CA . 52742 1 532 . 1 . 1 113 113 ARG CB C 13 30.261 0.00 . 1 . . . . . 113 ARG CB . 52742 1 533 . 1 . 1 113 113 ARG N N 15 121.800 0.00 . 1 . . . . . 113 ARG N . 52742 1 534 . 1 . 1 114 114 SER H H 1 8.411 0.00 . 1 . . . . . 114 SER H . 52742 1 535 . 1 . 1 114 114 SER C C 13 175.149 0.00 . 1 . . . . . 114 SER C . 52742 1 536 . 1 . 1 114 114 SER CA C 13 59.287 0.00 . 1 . . . . . 114 SER CA . 52742 1 537 . 1 . 1 114 114 SER CB C 13 63.758 0.00 . 1 . . . . . 114 SER CB . 52742 1 538 . 1 . 1 114 114 SER N N 15 116.685 0.00 . 1 . . . . . 114 SER N . 52742 1 539 . 1 . 1 115 115 GLY H H 1 8.412 0.00 . 1 . . . . . 115 GLY H . 52742 1 540 . 1 . 1 115 115 GLY C C 13 174.027 0.00 . 1 . . . . . 115 GLY C . 52742 1 541 . 1 . 1 115 115 GLY CA C 13 45.298 0.00 . 1 . . . . . 115 GLY CA . 52742 1 542 . 1 . 1 115 115 GLY N N 15 110.584 0.00 . 1 . . . . . 115 GLY N . 52742 1 543 . 1 . 1 116 116 PHE H H 1 8.129 0.00 . 1 . . . . . 116 PHE H . 52742 1 544 . 1 . 1 116 116 PHE C C 13 176.456 0.00 . 1 . . . . . 116 PHE C . 52742 1 545 . 1 . 1 116 116 PHE CA C 13 58.042 0.00 . 1 . . . . . 116 PHE CA . 52742 1 546 . 1 . 1 116 116 PHE CB C 13 39.503 0.00 . 1 . . . . . 116 PHE CB . 52742 1 547 . 1 . 1 116 116 PHE N N 15 119.915 0.00 . 1 . . . . . 116 PHE N . 52742 1 548 . 1 . 1 117 117 GLY H H 1 8.493 0.00 . 1 . . . . . 117 GLY H . 52742 1 549 . 1 . 1 117 117 GLY C C 13 174.026 0.00 . 1 . . . . . 117 GLY C . 52742 1 550 . 1 . 1 117 117 GLY CA C 13 45.344 0.00 . 1 . . . . . 117 GLY CA . 52742 1 551 . 1 . 1 117 117 GLY N N 15 110.694 0.01 . 1 . . . . . 117 GLY N . 52742 1 552 . 1 . 1 118 118 LYS H H 1 8.083 0.00 . 1 . . . . . 118 LYS H . 52742 1 553 . 1 . 1 118 118 LYS C C 13 176.376 0.00 . 1 . . . . . 118 LYS C . 52742 1 554 . 1 . 1 118 118 LYS CA C 13 56.589 0.00 . 1 . . . . . 118 LYS CA . 52742 1 555 . 1 . 1 118 118 LYS CB C 13 32.829 0.00 . 1 . . . . . 118 LYS CB . 52742 1 556 . 1 . 1 118 118 LYS N N 15 120.722 0.00 . 1 . . . . . 118 LYS N . 52742 1 557 . 1 . 1 119 119 PHE H H 1 8.306 0.00 . 1 . . . . . 119 PHE H . 52742 1 558 . 1 . 1 119 119 PHE C C 13 175.639 0.00 . 1 . . . . . 119 PHE C . 52742 1 559 . 1 . 1 119 119 PHE CA C 13 57.544 0.00 . 1 . . . . . 119 PHE CA . 52742 1 560 . 1 . 1 119 119 PHE CB C 13 39.421 0.00 . 1 . . . . . 119 PHE CB . 52742 1 561 . 1 . 1 119 119 PHE N N 15 120.471 0.01 . 1 . . . . . 119 PHE N . 52742 1 562 . 1 . 1 120 120 GLU H H 1 8.297 0.00 . 1 . . . . . 120 GLU H . 52742 1 563 . 1 . 1 120 120 GLU C C 13 176.233 0.00 . 1 . . . . . 120 GLU C . 52742 1 564 . 1 . 1 120 120 GLU CA C 13 56.376 0.00 . 1 . . . . . 120 GLU CA . 52742 1 565 . 1 . 1 120 120 GLU CB C 13 30.396 0.00 . 1 . . . . . 120 GLU CB . 52742 1 566 . 1 . 1 120 120 GLU N N 15 122.573 0.00 . 1 . . . . . 120 GLU N . 52742 1 567 . 1 . 1 121 121 ARG H H 1 8.445 0.00 . 1 . . . . . 121 ARG H . 52742 1 568 . 1 . 1 121 121 ARG C C 13 176.903 0.00 . 1 . . . . . 121 ARG C . 52742 1 569 . 1 . 1 121 121 ARG CA C 13 56.426 0.00 . 1 . . . . . 121 ARG CA . 52742 1 570 . 1 . 1 121 121 ARG CB C 13 30.609 0.00 . 1 . . . . . 121 ARG CB . 52742 1 571 . 1 . 1 121 121 ARG N N 15 122.326 0.00 . 1 . . . . . 121 ARG N . 52742 1 572 . 1 . 1 122 122 GLY H H 1 8.507 0.00 . 1 . . . . . 122 GLY H . 52742 1 573 . 1 . 1 122 122 GLY C C 13 174.733 0.00 . 1 . . . . . 122 GLY C . 52742 1 574 . 1 . 1 122 122 GLY CA C 13 45.305 0.00 . 1 . . . . . 122 GLY CA . 52742 1 575 . 1 . 1 122 122 GLY N N 15 110.035 0.00 . 1 . . . . . 122 GLY N . 52742 1 576 . 1 . 1 123 123 GLY H H 1 8.345 0.00 . 1 . . . . . 123 GLY H . 52742 1 577 . 1 . 1 123 123 GLY C C 13 174.082 0.00 . 1 . . . . . 123 GLY C . 52742 1 578 . 1 . 1 123 123 GLY CA C 13 45.419 0.00 . 1 . . . . . 123 GLY CA . 52742 1 579 . 1 . 1 123 123 GLY N N 15 108.773 0.00 . 1 . . . . . 123 GLY N . 52742 1 580 . 1 . 1 124 124 ASN H H 1 8.426 0.00 . 1 . . . . . 124 ASN H . 52742 1 581 . 1 . 1 124 124 ASN C C 13 175.484 0.00 . 1 . . . . . 124 ASN C . 52742 1 582 . 1 . 1 124 124 ASN CA C 13 53.200 0.00 . 1 . . . . . 124 ASN CA . 52742 1 583 . 1 . 1 124 124 ASN CB C 13 38.977 0.00 . 1 . . . . . 124 ASN CB . 52742 1 584 . 1 . 1 124 124 ASN N N 15 118.751 0.00 . 1 . . . . . 124 ASN N . 52742 1 585 . 1 . 1 125 125 SER H H 1 8.358 0.00 . 1 . . . . . 125 SER H . 52742 1 586 . 1 . 1 125 125 SER C C 13 174.616 0.00 . 1 . . . . . 125 SER C . 52742 1 587 . 1 . 1 125 125 SER CA C 13 58.782 0.00 . 1 . . . . . 125 SER CA . 52742 1 588 . 1 . 1 125 125 SER CB C 13 63.719 0.00 . 1 . . . . . 125 SER CB . 52742 1 589 . 1 . 1 125 125 SER N N 15 116.447 0.00 . 1 . . . . . 125 SER N . 52742 1 590 . 1 . 1 126 126 ARG H H 1 8.348 0.00 . 1 . . . . . 126 ARG H . 52742 1 591 . 1 . 1 126 126 ARG C C 13 176.289 0.00 . 1 . . . . . 126 ARG C . 52742 1 592 . 1 . 1 126 126 ARG CA C 13 56.405 0.00 . 1 . . . . . 126 ARG CA . 52742 1 593 . 1 . 1 126 126 ARG CB C 13 30.488 0.00 . 1 . . . . . 126 ARG CB . 52742 1 594 . 1 . 1 126 126 ARG N N 15 122.421 0.00 . 1 . . . . . 126 ARG N . 52742 1 595 . 1 . 1 127 127 TRP H H 1 8.180 0.00 . 1 . . . . . 127 TRP H . 52742 1 596 . 1 . 1 127 127 TRP C C 13 176.021 0.00 . 1 . . . . . 127 TRP C . 52742 1 597 . 1 . 1 127 127 TRP CA C 13 57.507 0.00 . 1 . . . . . 127 TRP CA . 52742 1 598 . 1 . 1 127 127 TRP CB C 13 29.403 0.00 . 1 . . . . . 127 TRP CB . 52742 1 599 . 1 . 1 127 127 TRP N N 15 121.626 0.00 . 1 . . . . . 127 TRP N . 52742 1 600 . 1 . 1 128 128 CYS H H 1 7.904 0.00 . 1 . . . . . 128 CYS H . 52742 1 601 . 1 . 1 128 128 CYS C C 13 173.638 0.00 . 1 . . . . . 128 CYS C . 52742 1 602 . 1 . 1 128 128 CYS CA C 13 58.086 0.00 . 1 . . . . . 128 CYS CA . 52742 1 603 . 1 . 1 128 128 CYS CB C 13 28.322 0.00 . 1 . . . . . 128 CYS CB . 52742 1 604 . 1 . 1 128 128 CYS N N 15 120.267 0.00 . 1 . . . . . 128 CYS N . 52742 1 605 . 1 . 1 129 129 ASP H H 1 8.265 0.00 . 1 . . . . . 129 ASP H . 52742 1 606 . 1 . 1 129 129 ASP C C 13 175.875 0.00 . 1 . . . . . 129 ASP C . 52742 1 607 . 1 . 1 129 129 ASP CA C 13 54.388 0.00 . 1 . . . . . 129 ASP CA . 52742 1 608 . 1 . 1 129 129 ASP CB C 13 41.179 0.00 . 1 . . . . . 129 ASP CB . 52742 1 609 . 1 . 1 129 129 ASP N N 15 123.136 0.00 . 1 . . . . . 129 ASP N . 52742 1 610 . 1 . 1 130 130 LYS H H 1 8.194 0.00 . 1 . . . . . 130 LYS H . 52742 1 611 . 1 . 1 130 130 LYS C C 13 176.356 0.00 . 1 . . . . . 130 LYS C . 52742 1 612 . 1 . 1 130 130 LYS CA C 13 56.173 0.00 . 1 . . . . . 130 LYS CA . 52742 1 613 . 1 . 1 130 130 LYS CB C 13 33.183 0.00 . 1 . . . . . 130 LYS CB . 52742 1 614 . 1 . 1 130 130 LYS N N 15 121.853 0.00 . 1 . . . . . 130 LYS N . 52742 1 615 . 1 . 1 131 131 SER H H 1 8.500 0.00 . 1 . . . . . 131 SER H . 52742 1 616 . 1 . 1 131 131 SER C C 13 173.422 0.00 . 1 . . . . . 131 SER C . 52742 1 617 . 1 . 1 131 131 SER CA C 13 58.362 0.00 . 1 . . . . . 131 SER CA . 52742 1 618 . 1 . 1 131 131 SER CB C 13 64.145 0.00 . 1 . . . . . 131 SER CB . 52742 1 619 . 1 . 1 131 131 SER N N 15 118.268 0.00 . 1 . . . . . 131 SER N . 52742 1 620 . 1 . 1 132 132 ASP H H 1 8.092 0.00 . 1 . . . . . 132 ASP H . 52742 1 621 . 1 . 1 132 132 ASP CA C 13 55.817 0.00 . 1 . . . . . 132 ASP CA . 52742 1 622 . 1 . 1 132 132 ASP CB C 13 42.070 0.00 . 1 . . . . . 132 ASP CB . 52742 1 623 . 1 . 1 132 132 ASP N N 15 127.909 0.00 . 1 . . . . . 132 ASP N . 52742 1 stop_ save_