################################### # 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 50243 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list 1' _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 TROSY HSQC' . . . 50243 1 2 '3D HNCA' . . . 50243 1 3 '3D HNCACB' . . . 50243 1 4 '3D HN(CO)CA' . . . 50243 1 5 '3D 1H-15N NOESY-HSQC' . . . 50243 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 . . 50243 1 2 $software_2 . . 50243 1 3 $software_3 . . 50243 1 4 $software_4 . . 50243 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 THR C C 13 174.253 0.00 . . . . . . . 1 THR CO . 50243 1 2 . 1 . 1 1 1 THR CA C 13 61.562 0.06 . . . . . . . 1 THR CA . 50243 1 3 . 1 . 1 1 1 THR CB C 13 69.216 0.00 . . . . . . . 1 THR CB . 50243 1 4 . 1 . 1 2 2 ASP H H 1 8.463 0.01 . . . . . . . 2 ASP HN . 50243 1 5 . 1 . 1 2 2 ASP HA H 1 4.551 0.00 . . . . . . . 2 ASP HA . 50243 1 6 . 1 . 1 2 2 ASP HB2 H 1 2.623 0.00 . . . . . . . 2 ASP HB2 . 50243 1 7 . 1 . 1 2 2 ASP HB3 H 1 2.518 0.01 . . . . . . . 2 ASP HB3 . 50243 1 8 . 1 . 1 2 2 ASP C C 13 176.059 0.00 . . . . . . . 2 ASP CO . 50243 1 9 . 1 . 1 2 2 ASP CA C 13 54.166 0.05 . . . . . . . 2 ASP CA . 50243 1 10 . 1 . 1 2 2 ASP CB C 13 40.433 0.00 . . . . . . . 2 ASP CB . 50243 1 11 . 1 . 1 2 2 ASP N N 15 123.388 0.09 . . . . . . . 2 ASP N . 50243 1 12 . 1 . 1 3 3 VAL H H 1 8.022 0.00 . . . . . . . 3 VAL HN . 50243 1 13 . 1 . 1 3 3 VAL HA H 1 4.054 0.00 . . . . . . . 3 VAL HA . 50243 1 14 . 1 . 1 3 3 VAL HB H 1 2.001 0.00 . . . . . . . 3 VAL HB . 50243 1 15 . 1 . 1 3 3 VAL HG11 H 1 0.876 0.01 . . . . . . . 3 VAL HG1 . 50243 1 16 . 1 . 1 3 3 VAL HG12 H 1 0.876 0.01 . . . . . . . 3 VAL HG1 . 50243 1 17 . 1 . 1 3 3 VAL HG13 H 1 0.876 0.01 . . . . . . . 3 VAL HG1 . 50243 1 18 . 1 . 1 3 3 VAL HG21 H 1 0.857 0.00 . . . . . . . 3 VAL HG2 . 50243 1 19 . 1 . 1 3 3 VAL HG22 H 1 0.857 0.00 . . . . . . . 3 VAL HG2 . 50243 1 20 . 1 . 1 3 3 VAL HG23 H 1 0.857 0.00 . . . . . . . 3 VAL HG2 . 50243 1 21 . 1 . 1 3 3 VAL C C 13 176.080 0.00 . . . . . . . 3 VAL CO . 50243 1 22 . 1 . 1 3 3 VAL CA C 13 61.803 0.03 . . . . . . . 3 VAL CA . 50243 1 23 . 1 . 1 3 3 VAL CB C 13 31.924 0.01 . . . . . . . 3 VAL CB . 50243 1 24 . 1 . 1 3 3 VAL N N 15 120.221 0.13 . . . . . . . 3 VAL N . 50243 1 25 . 1 . 1 4 4 GLU H H 1 8.433 0.01 . . . . . . . 4 GLU HN . 50243 1 26 . 1 . 1 4 4 GLU HA H 1 4.312 0.01 . . . . . . . 4 GLU HA . 50243 1 27 . 1 . 1 4 4 GLU HB2 H 1 2.037 0.00 . . . . . . . 4 GLU HB2 . 50243 1 28 . 1 . 1 4 4 GLU HB3 H 1 1.982 0.00 . . . . . . . 4 GLU HB3 . 50243 1 29 . 1 . 1 4 4 GLU HG2 H 1 2.287 0.00 . . . . . . . 4 GLU HG2 . 50243 1 30 . 1 . 1 4 4 GLU HG3 H 1 2.244 0.00 . . . . . . . 4 GLU HG3 . 50243 1 31 . 1 . 1 4 4 GLU C C 13 176.688 0.00 . . . . . . . 4 GLU CO . 50243 1 32 . 1 . 1 4 4 GLU CA C 13 56.204 0.07 . . . . . . . 4 GLU CA . 50243 1 33 . 1 . 1 4 4 GLU CB C 13 29.416 0.04 . . . . . . . 4 GLU CB . 50243 1 34 . 1 . 1 4 4 GLU N N 15 124.952 0.08 . . . . . . . 4 GLU N . 50243 1 35 . 1 . 1 5 5 THR H H 1 8.136 0.01 . . . . . . . 5 THR HN . 50243 1 36 . 1 . 1 5 5 THR C C 13 175.084 0.00 . . . . . . . 5 THR CO . 50243 1 37 . 1 . 1 5 5 THR CA C 13 61.895 0.18 . . . . . . . 5 THR CA . 50243 1 38 . 1 . 1 5 5 THR CB C 13 69.498 0.33 . . . . . . . 5 THR CB . 50243 1 39 . 1 . 1 5 5 THR N N 15 116.033 0.05 . . . . . . . 5 THR N . 50243 1 40 . 1 . 1 6 6 THR H H 1 8.128 0.01 . . . . . . . 6 THR HN . 50243 1 41 . 1 . 1 6 6 THR C C 13 174.860 0.00 . . . . . . . 6 THR CO . 50243 1 42 . 1 . 1 6 6 THR CA C 13 61.608 0.03 . . . . . . . 6 THR CA . 50243 1 43 . 1 . 1 6 6 THR CB C 13 69.226 0.00 . . . . . . . 6 THR CB . 50243 1 44 . 1 . 1 6 6 THR N N 15 116.834 0.02 . . . . . . . 6 THR N . 50243 1 45 . 1 . 1 7 7 TYR H H 1 8.194 0.01 . . . . . . . 7 TYR HN . 50243 1 46 . 1 . 1 7 7 TYR C C 13 175.802 0.00 . . . . . . . 7 TYR CO . 50243 1 47 . 1 . 1 7 7 TYR CA C 13 58.232 0.02 . . . . . . . 7 TYR CA . 50243 1 48 . 1 . 1 7 7 TYR N N 15 122.906 0.19 . . . . . . . 7 TYR N . 50243 1 49 . 1 . 1 8 8 ALA H H 1 8.064 0.01 . . . . . . . 8 ALA HN . 50243 1 50 . 1 . 1 8 8 ALA C C 13 178.727 0.00 . . . . . . . 8 ALA CO . 50243 1 51 . 1 . 1 8 8 ALA CA C 13 52.857 0.36 . . . . . . . 8 ALA CA . 50243 1 52 . 1 . 1 8 8 ALA CB C 13 18.149 0.05 . . . . . . . 8 ALA CB . 50243 1 53 . 1 . 1 8 8 ALA N N 15 124.101 0.23 . . . . . . . 8 ALA N . 50243 1 54 . 1 . 1 9 9 ASP H H 1 7.846 0.01 . . . . . . . 9 ASP HN . 50243 1 55 . 1 . 1 9 9 ASP C C 13 177.614 0.00 . . . . . . . 9 ASP CO . 50243 1 56 . 1 . 1 9 9 ASP CA C 13 55.540 0.09 . . . . . . . 9 ASP CA . 50243 1 57 . 1 . 1 9 9 ASP CB C 13 40.421 0.01 . . . . . . . 9 ASP CB . 50243 1 58 . 1 . 1 9 9 ASP N N 15 120.047 0.01 . . . . . . . 9 ASP N . 50243 1 59 . 1 . 1 10 10 PHE H H 1 7.900 0.01 . . . . . . . 10 PHE HN . 50243 1 60 . 1 . 1 10 10 PHE C C 13 176.297 0.00 . . . . . . . 10 PHE CO . 50243 1 61 . 1 . 1 10 10 PHE CA C 13 61.067 0.01 . . . . . . . 10 PHE CA . 50243 1 62 . 1 . 1 10 10 PHE CB C 13 38.645 0.03 . . . . . . . 10 PHE CB . 50243 1 63 . 1 . 1 10 10 PHE N N 15 120.796 0.20 . . . . . . . 10 PHE N . 50243 1 64 . 1 . 1 11 11 ILE H H 1 7.858 0.01 . . . . . . . 11 ILE HN . 50243 1 65 . 1 . 1 11 11 ILE CA C 13 61.868 0.65 . . . . . . . 11 ILE CA . 50243 1 66 . 1 . 1 11 11 ILE CB C 13 38.205 0.00 . . . . . . . 11 ILE CB . 50243 1 67 . 1 . 1 11 11 ILE N N 15 120.763 0.02 . . . . . . . 11 ILE N . 50243 1 68 . 1 . 1 12 12 ALA H H 1 7.308 0.01 . . . . . . . 12 ALA HN . 50243 1 69 . 1 . 1 12 12 ALA C C 13 177.926 0.00 . . . . . . . 12 ALA CO . 50243 1 70 . 1 . 1 12 12 ALA CA C 13 52.597 0.07 . . . . . . . 12 ALA CA . 50243 1 71 . 1 . 1 12 12 ALA N N 15 121.250 0.02 . . . . . . . 12 ALA N . 50243 1 72 . 1 . 1 13 13 SER H H 1 8.521 0.20 . . . . . . . 13 SER HN . 50243 1 73 . 1 . 1 13 13 SER C C 13 174.094 0.00 . . . . . . . 13 SER CO . 50243 1 74 . 1 . 1 13 13 SER CA C 13 60.692 0.95 . . . . . . . 13 SER CA . 50243 1 75 . 1 . 1 13 13 SER N N 15 116.905 0.85 . . . . . . . 13 SER N . 50243 1 76 . 1 . 1 14 14 GLY H H 1 7.921 0.01 . . . . . . . 14 GLY HN . 50243 1 77 . 1 . 1 14 14 GLY C C 13 174.254 0.00 . . . . . . . 14 GLY CO . 50243 1 78 . 1 . 1 14 14 GLY CA C 13 45.308 0.34 . . . . . . . 14 GLY CA . 50243 1 79 . 1 . 1 14 14 GLY N N 15 117.437 0.01 . . . . . . . 14 GLY N . 50243 1 80 . 1 . 1 15 15 ARG H H 1 7.850 0.03 . . . . . . . 15 ARG HN . 50243 1 81 . 1 . 1 15 15 ARG C C 13 177.191 0.00 . . . . . . . 15 ARG CO . 50243 1 82 . 1 . 1 15 15 ARG CA C 13 54.752 0.11 . . . . . . . 15 ARG CA . 50243 1 83 . 1 . 1 15 15 ARG N N 15 121.347 0.23 . . . . . . . 15 ARG N . 50243 1 84 . 1 . 1 16 16 THR H H 1 7.527 0.01 . . . . . . . 16 THR HN . 50243 1 85 . 1 . 1 16 16 THR C C 13 176.265 0.00 . . . . . . . 16 THR CO . 50243 1 86 . 1 . 1 16 16 THR CA C 13 62.445 0.02 . . . . . . . 16 THR CA . 50243 1 87 . 1 . 1 16 16 THR CB C 13 69.055 0.00 . . . . . . . 16 THR CB . 50243 1 88 . 1 . 1 16 16 THR N N 15 109.580 0.03 . . . . . . . 16 THR N . 50243 1 89 . 1 . 1 17 17 GLY H H 1 8.253 0.01 . . . . . . . 17 GLY HN . 50243 1 90 . 1 . 1 17 17 GLY C C 13 174.281 0.00 . . . . . . . 17 GLY CO . 50243 1 91 . 1 . 1 17 17 GLY CA C 13 43.153 0.15 . . . . . . . 17 GLY CA . 50243 1 92 . 1 . 1 17 17 GLY N N 15 112.774 0.03 . . . . . . . 17 GLY N . 50243 1 93 . 1 . 1 18 18 ARG H H 1 8.309 0.01 . . . . . . . 18 ARG HN . 50243 1 94 . 1 . 1 18 18 ARG CA C 13 57.567 0.05 . . . . . . . 18 ARG CA . 50243 1 95 . 1 . 1 18 18 ARG CB C 13 29.426 0.00 . . . . . . . 18 ARG CB . 50243 1 96 . 1 . 1 18 18 ARG N N 15 120.735 0.05 . . . . . . . 18 ARG N . 50243 1 97 . 1 . 1 19 19 ARG H H 1 10.558 0.00 . . . . . . . 19 ARG HN . 50243 1 98 . 1 . 1 19 19 ARG CA C 13 53.994 0.07 . . . . . . . 19 ARG CA . 50243 1 99 . 1 . 1 19 19 ARG N N 15 125.998 0.02 . . . . . . . 19 ARG N . 50243 1 100 . 1 . 1 20 20 ASN H H 1 8.680 0.01 . . . . . . . 20 ASN HN . 50243 1 101 . 1 . 1 20 20 ASN CA C 13 51.495 0.01 . . . . . . . 20 ASN CA . 50243 1 102 . 1 . 1 20 20 ASN N N 15 127.286 0.05 . . . . . . . 20 ASN N . 50243 1 103 . 1 . 1 21 21 ALA H H 1 9.831 0.01 . . . . . . . 21 ALA HN . 50243 1 104 . 1 . 1 21 21 ALA CA C 13 52.336 0.03 . . . . . . . 21 ALA CA . 50243 1 105 . 1 . 1 21 21 ALA N N 15 125.196 0.02 . . . . . . . 21 ALA N . 50243 1 106 . 1 . 1 22 22 ILE H H 1 9.530 0.01 . . . . . . . 22 ILE HN . 50243 1 107 . 1 . 1 22 22 ILE C C 13 175.834 0.00 . . . . . . . 22 ILE CO . 50243 1 108 . 1 . 1 22 22 ILE CA C 13 60.639 0.66 . . . . . . . 22 ILE CA . 50243 1 109 . 1 . 1 22 22 ILE CB C 13 37.859 0.00 . . . . . . . 22 ILE CB . 50243 1 110 . 1 . 1 22 22 ILE N N 15 116.907 0.09 . . . . . . . 22 ILE N . 50243 1 111 . 1 . 1 23 23 HIS H H 1 8.174 0.01 . . . . . . . 23 HIS HN . 50243 1 112 . 1 . 1 23 23 HIS C C 13 174.318 0.00 . . . . . . . 23 HIS CO . 50243 1 113 . 1 . 1 23 23 HIS CA C 13 56.166 0.03 . . . . . . . 23 HIS CA . 50243 1 114 . 1 . 1 23 23 HIS CB C 13 29.541 0.02 . . . . . . . 23 HIS CB . 50243 1 115 . 1 . 1 23 23 HIS N N 15 121.705 0.14 . . . . . . . 23 HIS N . 50243 1 116 . 1 . 1 24 24 ASP H H 1 8.453 0.02 . . . . . . . 24 ASP HN . 50243 1 117 . 1 . 1 24 24 ASP C C 13 176.074 0.00 . . . . . . . 24 ASP CO . 50243 1 118 . 1 . 1 24 24 ASP CA C 13 54.130 0.05 . . . . . . . 24 ASP CA . 50243 1 119 . 1 . 1 24 24 ASP CB C 13 40.406 0.02 . . . . . . . 24 ASP CB . 50243 1 120 . 1 . 1 24 24 ASP N N 15 122.943 0.01 . . . . . . . 24 ASP N . 50243 1 121 . 1 . 1 25 25 ILE H H 1 8.024 0.01 . . . . . . . 25 ILE HN . 50243 1 122 . 1 . 1 25 25 ILE C C 13 176.561 0.00 . . . . . . . 25 ILE CO . 50243 1 123 . 1 . 1 25 25 ILE CA C 13 61.465 0.38 . . . . . . . 25 ILE CA . 50243 1 124 . 1 . 1 25 25 ILE CB C 13 37.824 0.00 . . . . . . . 25 ILE CB . 50243 1 125 . 1 . 1 25 25 ILE N N 15 120.753 0.19 . . . . . . . 25 ILE N . 50243 1 126 . 1 . 1 26 26 LEU H H 1 8.201 0.03 . . . . . . . 26 LEU HN . 50243 1 127 . 1 . 1 26 26 LEU CA C 13 55.112 0.18 . . . . . . . 26 LEU CA . 50243 1 128 . 1 . 1 26 26 LEU N N 15 125.354 0.62 . . . . . . . 26 LEU N . 50243 1 129 . 1 . 1 27 27 VAL H H 1 7.720 0.01 . . . . . . . 27 VAL HN . 50243 1 130 . 1 . 1 27 27 VAL CA C 13 61.897 0.01 . . . . . . . 27 VAL CA . 50243 1 131 . 1 . 1 27 27 VAL N N 15 119.127 0.03 . . . . . . . 27 VAL N . 50243 1 132 . 1 . 1 28 28 SER H H 1 8.174 0.01 . . . . . . . 28 SER HN . 50243 1 133 . 1 . 1 28 28 SER C C 13 174.733 0.00 . . . . . . . 28 SER CO . 50243 1 134 . 1 . 1 28 28 SER CA C 13 57.900 0.14 . . . . . . . 28 SER CA . 50243 1 135 . 1 . 1 28 28 SER CB C 13 63.087 0.00 . . . . . . . 28 SER CB . 50243 1 136 . 1 . 1 28 28 SER N N 15 118.420 0.07 . . . . . . . 28 SER N . 50243 1 137 . 1 . 1 29 29 SER H H 1 8.276 0.01 . . . . . . . 29 SER HN . 50243 1 138 . 1 . 1 29 29 SER C C 13 174.493 0.00 . . . . . . . 29 SER CO . 50243 1 139 . 1 . 1 29 29 SER CA C 13 58.053 0.07 . . . . . . . 29 SER CA . 50243 1 140 . 1 . 1 29 29 SER CB C 13 63.468 0.00 . . . . . . . 29 SER CB . 50243 1 141 . 1 . 1 29 29 SER N N 15 117.992 0.09 . . . . . . . 29 SER N . 50243 1 142 . 1 . 1 30 30 ALA H H 1 8.270 0.01 . . . . . . . 30 ALA HN . 50243 1 143 . 1 . 1 30 30 ALA HB1 H 1 1.345 0.01 . . . . . . . 30 ALA HB . 50243 1 144 . 1 . 1 30 30 ALA HB2 H 1 1.345 0.01 . . . . . . . 30 ALA HB . 50243 1 145 . 1 . 1 30 30 ALA HB3 H 1 1.345 0.01 . . . . . . . 30 ALA HB . 50243 1 146 . 1 . 1 30 30 ALA C C 13 177.941 0.00 . . . . . . . 30 ALA CO . 50243 1 147 . 1 . 1 30 30 ALA CA C 13 52.506 0.07 . . . . . . . 30 ALA CA . 50243 1 148 . 1 . 1 30 30 ALA CB C 13 18.197 0.00 . . . . . . . 30 ALA CB . 50243 1 149 . 1 . 1 30 30 ALA N N 15 125.976 0.03 . . . . . . . 30 ALA N . 50243 1 150 . 1 . 1 31 31 SER H H 1 8.115 0.01 . . . . . . . 31 SER HN . 50243 1 151 . 1 . 1 31 31 SER HA H 1 4.391 0.00 . . . . . . . 31 SER HA . 50243 1 152 . 1 . 1 31 31 SER HB2 H 1 3.929 0.00 . . . . . . . 31 SER HB2 . 50243 1 153 . 1 . 1 31 31 SER HB3 H 1 3.813 0.00 . . . . . . . 31 SER HB3 . 50243 1 154 . 1 . 1 31 31 SER C C 13 175.126 0.00 . . . . . . . 31 SER CO . 50243 1 155 . 1 . 1 31 31 SER CA C 13 58.201 0.08 . . . . . . . 31 SER CA . 50243 1 156 . 1 . 1 31 31 SER CB C 13 63.282 0.03 . . . . . . . 31 SER CB . 50243 1 157 . 1 . 1 31 31 SER N N 15 114.131 0.23 . . . . . . . 31 SER N . 50243 1 158 . 1 . 1 32 32 GLY H H 1 8.255 0.01 . . . . . . . 32 GLY HN . 50243 1 159 . 1 . 1 32 32 GLY HA2 H 1 3.900 0.00 . . . . . . . 32 GLY HA2 . 50243 1 160 . 1 . 1 32 32 GLY HA3 H 1 3.841 0.00 . . . . . . . 32 GLY HA3 . 50243 1 161 . 1 . 1 32 32 GLY C C 13 173.902 0.00 . . . . . . . 32 GLY CO . 50243 1 162 . 1 . 1 32 32 GLY CA C 13 44.973 0.03 . . . . . . . 32 GLY CA . 50243 1 163 . 1 . 1 32 32 GLY N N 15 110.749 0.19 . . . . . . . 32 GLY N . 50243 1 164 . 1 . 1 33 33 ASN H H 1 8.233 0.01 . . . . . . . 33 ASN HN . 50243 1 165 . 1 . 1 33 33 ASN C C 13 175.499 0.00 . . . . . . . 33 ASN CO . 50243 1 166 . 1 . 1 33 33 ASN CA C 13 52.754 0.01 . . . . . . . 33 ASN CA . 50243 1 167 . 1 . 1 33 33 ASN CB C 13 38.523 0.02 . . . . . . . 33 ASN CB . 50243 1 168 . 1 . 1 33 33 ASN N N 15 119.144 0.16 . . . . . . . 33 ASN N . 50243 1 169 . 1 . 1 34 34 SER H H 1 8.334 0.01 . . . . . . . 34 SER HN . 50243 1 170 . 1 . 1 34 34 SER HA H 1 4.293 0.00 . . . . . . . 34 SER HA . 50243 1 171 . 1 . 1 34 34 SER HB2 H 1 3.849 0.00 . . . . . . . 34 SER HB2 . 50243 1 172 . 1 . 1 34 34 SER HB3 H 1 3.810 0.00 . . . . . . . 34 SER HB3 . 50243 1 173 . 1 . 1 34 34 SER C C 13 174.748 0.00 . . . . . . . 34 SER CO . 50243 1 174 . 1 . 1 34 34 SER CA C 13 58.526 0.08 . . . . . . . 34 SER CA . 50243 1 175 . 1 . 1 34 34 SER CB C 13 63.090 0.07 . . . . . . . 34 SER CB . 50243 1 176 . 1 . 1 34 34 SER N N 15 117.023 0.20 . . . . . . . 34 SER N . 50243 1 177 . 1 . 1 35 35 ASN H H 1 8.394 0.03 . . . . . . . 35 ASN HN . 50243 1 178 . 1 . 1 35 35 ASN HA H 1 4.063 0.00 . . . . . . . 35 ASN HA . 50243 1 179 . 1 . 1 35 35 ASN HB2 H 1 2.752 0.00 . . . . . . . 35 ASN HB2 . 50243 1 180 . 1 . 1 35 35 ASN HB3 H 1 2.644 0.00 . . . . . . . 35 ASN HB3 . 50243 1 181 . 1 . 1 35 35 ASN C C 13 175.339 0.00 . . . . . . . 35 ASN CO . 50243 1 182 . 1 . 1 35 35 ASN CA C 13 53.361 0.13 . . . . . . . 35 ASN CA . 50243 1 183 . 1 . 1 35 35 ASN CB C 13 38.299 0.02 . . . . . . . 35 ASN CB . 50243 1 184 . 1 . 1 35 35 ASN N N 15 121.438 0.21 . . . . . . . 35 ASN N . 50243 1 185 . 1 . 1 36 36 GLU H H 1 8.182 0.05 . . . . . . . 36 GLU HN . 50243 1 186 . 1 . 1 36 36 GLU HA H 1 4.204 0.00 . . . . . . . 36 GLU HA . 50243 1 187 . 1 . 1 36 36 GLU HB2 H 1 1.823 0.00 . . . . . . . 36 GLU HB2 . 50243 1 188 . 1 . 1 36 36 GLU HB3 H 1 1.788 0.01 . . . . . . . 36 GLU HB3 . 50243 1 189 . 1 . 1 36 36 GLU HG2 H 1 2.499 0.00 . . . . . . . 36 GLU HG2 . 50243 1 190 . 1 . 1 36 36 GLU HG3 H 1 2.468 0.00 . . . . . . . 36 GLU HG3 . 50243 1 191 . 1 . 1 36 36 GLU C C 13 177.255 0.00 . . . . . . . 36 GLU CO . 50243 1 192 . 1 . 1 36 36 GLU CA C 13 57.384 0.10 . . . . . . . 36 GLU CA . 50243 1 193 . 1 . 1 36 36 GLU CB C 13 30.321 1.63 . . . . . . . 36 GLU CB . 50243 1 194 . 1 . 1 36 36 GLU N N 15 120.871 0.04 . . . . . . . 36 GLU N . 50243 1 195 . 1 . 1 37 37 LEU H H 1 8.046 0.02 . . . . . . . 37 LEU HN . 50243 1 196 . 1 . 1 37 37 LEU HA H 1 4.286 0.00 . . . . . . . 37 LEU HA . 50243 1 197 . 1 . 1 37 37 LEU HB2 H 1 1.786 0.01 . . . . . . . 37 LEU HB2 . 50243 1 198 . 1 . 1 37 37 LEU HB3 H 1 1.687 0.02 . . . . . . . 37 LEU HB3 . 50243 1 199 . 1 . 1 37 37 LEU HG H 1 1.668 0.00 . . . . . . . 37 LEU HG . 50243 1 200 . 1 . 1 37 37 LEU HD11 H 1 0.791 0.00 . . . . . . . 37 LEU HD . 50243 1 201 . 1 . 1 37 37 LEU HD12 H 1 0.791 0.00 . . . . . . . 37 LEU HD . 50243 1 202 . 1 . 1 37 37 LEU HD13 H 1 0.791 0.00 . . . . . . . 37 LEU HD . 50243 1 203 . 1 . 1 37 37 LEU HD21 H 1 0.791 0.00 . . . . . . . 37 LEU HD . 50243 1 204 . 1 . 1 37 37 LEU HD22 H 1 0.791 0.00 . . . . . . . 37 LEU HD . 50243 1 205 . 1 . 1 37 37 LEU HD23 H 1 0.791 0.00 . . . . . . . 37 LEU HD . 50243 1 206 . 1 . 1 37 37 LEU C C 13 177.861 0.00 . . . . . . . 37 LEU CO . 50243 1 207 . 1 . 1 37 37 LEU CA C 13 55.590 0.24 . . . . . . . 37 LEU CA . 50243 1 208 . 1 . 1 37 37 LEU CB C 13 41.377 0.05 . . . . . . . 37 LEU CB . 50243 1 209 . 1 . 1 37 37 LEU N N 15 121.968 0.15 . . . . . . . 37 LEU N . 50243 1 210 . 1 . 1 38 38 ALA H H 1 7.794 0.01 . . . . . . . 38 ALA HN . 50243 1 211 . 1 . 1 38 38 ALA HA H 1 4.146 0.00 . . . . . . . 38 ALA HA . 50243 1 212 . 1 . 1 38 38 ALA HB1 H 1 1.351 0.01 . . . . . . . 38 ALA HB . 50243 1 213 . 1 . 1 38 38 ALA HB2 H 1 1.351 0.01 . . . . . . . 38 ALA HB . 50243 1 214 . 1 . 1 38 38 ALA HB3 H 1 1.351 0.01 . . . . . . . 38 ALA HB . 50243 1 215 . 1 . 1 38 38 ALA C C 13 179.600 0.00 . . . . . . . 38 ALA CO . 50243 1 216 . 1 . 1 38 38 ALA CA C 13 53.400 0.42 . . . . . . . 38 ALA CA . 50243 1 217 . 1 . 1 38 38 ALA CB C 13 17.615 0.41 . . . . . . . 38 ALA CB . 50243 1 218 . 1 . 1 38 38 ALA N N 15 122.020 0.13 . . . . . . . 38 ALA N . 50243 1 219 . 1 . 1 39 39 LEU H H 1 7.804 0.03 . . . . . . . 39 LEU HN . 50243 1 220 . 1 . 1 39 39 LEU HA H 1 4.075 0.00 . . . . . . . 39 LEU HA . 50243 1 221 . 1 . 1 39 39 LEU C C 13 176.441 0.00 . . . . . . . 39 LEU CO . 50243 1 222 . 1 . 1 39 39 LEU CA C 13 56.130 0.21 . . . . . . . 39 LEU CA . 50243 1 223 . 1 . 1 39 39 LEU CB C 13 41.134 0.00 . . . . . . . 39 LEU CB . 50243 1 224 . 1 . 1 39 39 LEU N N 15 119.170 0.07 . . . . . . . 39 LEU N . 50243 1 225 . 1 . 1 40 40 LYS H H 1 7.919 0.09 . . . . . . . 40 LYS HN . 50243 1 226 . 1 . 1 40 40 LYS C C 13 177.351 0.00 . . . . . . . 40 LYS CO . 50243 1 227 . 1 . 1 40 40 LYS CA C 13 56.592 0.03 . . . . . . . 40 LYS CA . 50243 1 228 . 1 . 1 40 40 LYS CB C 13 32.012 0.00 . . . . . . . 40 LYS CB . 50243 1 229 . 1 . 1 40 40 LYS N N 15 122.779 1.90 . . . . . . . 40 LYS N . 50243 1 230 . 1 . 1 41 41 LEU H H 1 8.079 0.03 . . . . . . . 41 LEU HN . 50243 1 231 . 1 . 1 41 41 LEU C C 13 177.734 0.00 . . . . . . . 41 LEU CO . 50243 1 232 . 1 . 1 41 41 LEU CA C 13 55.914 0.12 . . . . . . . 41 LEU CA . 50243 1 233 . 1 . 1 41 41 LEU CB C 13 41.020 0.19 . . . . . . . 41 LEU CB . 50243 1 234 . 1 . 1 41 41 LEU N N 15 122.563 0.41 . . . . . . . 41 LEU N . 50243 1 235 . 1 . 1 42 42 ALA H H 1 7.941 0.07 . . . . . . . 42 ALA HN . 50243 1 236 . 1 . 1 42 42 ALA HA H 1 4.182 0.00 . . . . . . . 42 ALA HA . 50243 1 237 . 1 . 1 42 42 ALA HB1 H 1 1.289 0.00 . . . . . . . 42 ALA HB . 50243 1 238 . 1 . 1 42 42 ALA HB2 H 1 1.289 0.00 . . . . . . . 42 ALA HB . 50243 1 239 . 1 . 1 42 42 ALA HB3 H 1 1.289 0.00 . . . . . . . 42 ALA HB . 50243 1 240 . 1 . 1 42 42 ALA C C 13 178.596 0.00 . . . . . . . 42 ALA CO . 50243 1 241 . 1 . 1 42 42 ALA CA C 13 52.911 0.10 . . . . . . . 42 ALA CA . 50243 1 242 . 1 . 1 42 42 ALA CB C 13 17.807 0.17 . . . . . . . 42 ALA CB . 50243 1 243 . 1 . 1 42 42 ALA N N 15 123.217 0.31 . . . . . . . 42 ALA N . 50243 1 244 . 1 . 1 43 43 GLY H H 1 7.905 0.01 . . . . . . . 43 GLY HN . 50243 1 245 . 1 . 1 43 43 GLY HA2 H 1 3.819 0.01 . . . . . . . 43 GLY HA . 50243 1 246 . 1 . 1 43 43 GLY HA3 H 1 3.819 0.01 . . . . . . . 43 GLY HA . 50243 1 247 . 1 . 1 43 43 GLY C C 13 174.434 0.00 . . . . . . . 43 GLY CO . 50243 1 248 . 1 . 1 43 43 GLY CA C 13 45.078 0.05 . . . . . . . 43 GLY CA . 50243 1 249 . 1 . 1 43 43 GLY N N 15 106.379 0.18 . . . . . . . 43 GLY N . 50243 1 250 . 1 . 1 44 44 LEU H H 1 7.676 0.01 . . . . . . . 44 LEU HN . 50243 1 251 . 1 . 1 44 44 LEU HA H 1 4.227 0.00 . . . . . . . 44 LEU HA . 50243 1 252 . 1 . 1 44 44 LEU HB2 H 1 1.599 0.00 . . . . . . . 44 LEU HB2 . 50243 1 253 . 1 . 1 44 44 LEU HB3 H 1 1.574 0.00 . . . . . . . 44 LEU HB3 . 50243 1 254 . 1 . 1 44 44 LEU HG H 1 1.456 0.00 . . . . . . . 44 LEU HG . 50243 1 255 . 1 . 1 44 44 LEU HD11 H 1 0.774 0.01 . . . . . . . 44 LEU HD1 . 50243 1 256 . 1 . 1 44 44 LEU HD12 H 1 0.774 0.01 . . . . . . . 44 LEU HD1 . 50243 1 257 . 1 . 1 44 44 LEU HD13 H 1 0.774 0.01 . . . . . . . 44 LEU HD1 . 50243 1 258 . 1 . 1 44 44 LEU HD21 H 1 0.744 0.01 . . . . . . . 44 LEU HD2 . 50243 1 259 . 1 . 1 44 44 LEU HD22 H 1 0.744 0.01 . . . . . . . 44 LEU HD2 . 50243 1 260 . 1 . 1 44 44 LEU HD23 H 1 0.744 0.01 . . . . . . . 44 LEU HD2 . 50243 1 261 . 1 . 1 44 44 LEU C C 13 177.112 0.00 . . . . . . . 44 LEU CO . 50243 1 262 . 1 . 1 44 44 LEU CA C 13 54.712 0.06 . . . . . . . 44 LEU CA . 50243 1 263 . 1 . 1 44 44 LEU CB C 13 41.578 0.04 . . . . . . . 44 LEU CB . 50243 1 264 . 1 . 1 44 44 LEU N N 15 120.900 0.18 . . . . . . . 44 LEU N . 50243 1 265 . 1 . 1 45 45 ASP H H 1 8.318 0.02 . . . . . . . 45 ASP HN . 50243 1 266 . 1 . 1 45 45 ASP HA H 1 4.131 0.02 . . . . . . . 45 ASP HA . 50243 1 267 . 1 . 1 45 45 ASP HB2 H 1 2.633 0.00 . . . . . . . 45 ASP HB2 . 50243 1 268 . 1 . 1 45 45 ASP HB3 H 1 2.535 0.00 . . . . . . . 45 ASP HB3 . 50243 1 269 . 1 . 1 45 45 ASP C C 13 176.265 0.00 . . . . . . . 45 ASP CO . 50243 1 270 . 1 . 1 45 45 ASP CA C 13 53.779 0.08 . . . . . . . 45 ASP CA . 50243 1 271 . 1 . 1 45 45 ASP CB C 13 40.456 0.07 . . . . . . . 45 ASP CB . 50243 1 272 . 1 . 1 45 45 ASP N N 15 121.558 0.15 . . . . . . . 45 ASP N . 50243 1 273 . 1 . 1 46 46 ILE H H 1 7.852 0.01 . . . . . . . 46 ILE HN . 50243 1 274 . 1 . 1 46 46 ILE C C 13 176.025 0.00 . . . . . . . 46 ILE CO . 50243 1 275 . 1 . 1 46 46 ILE CA C 13 61.043 0.02 . . . . . . . 46 ILE CA . 50243 1 276 . 1 . 1 46 46 ILE CB C 13 37.859 0.08 . . . . . . . 46 ILE CB . 50243 1 277 . 1 . 1 46 46 ILE N N 15 120.455 0.10 . . . . . . . 46 ILE N . 50243 1 278 . 1 . 1 47 47 ASN H H 1 8.392 0.02 . . . . . . . 47 ASN HN . 50243 1 279 . 1 . 1 47 47 ASN C C 13 174.992 0.00 . . . . . . . 47 ASN CO . 50243 1 280 . 1 . 1 47 47 ASN CA C 13 53.017 0.02 . . . . . . . 47 ASN CA . 50243 1 281 . 1 . 1 47 47 ASN CB C 13 38.264 0.00 . . . . . . . 47 ASN CB . 50243 1 282 . 1 . 1 47 47 ASN N N 15 121.831 0.03 . . . . . . . 47 ASN N . 50243 1 283 . 1 . 1 48 48 LYS H H 1 8.105 0.01 . . . . . . . 48 LYS HN . 50243 1 284 . 1 . 1 48 48 LYS HA H 1 4.207 0.00 . . . . . . . 48 LYS HA . 50243 1 285 . 1 . 1 48 48 LYS HB2 H 1 1.918 0.00 . . . . . . . 48 LYS HB2 . 50243 1 286 . 1 . 1 48 48 LYS HB3 H 1 1.789 0.00 . . . . . . . 48 LYS HB3 . 50243 1 287 . 1 . 1 48 48 LYS HD2 H 1 1.707 0.00 . . . . . . . 48 LYS HD2 . 50243 1 288 . 1 . 1 48 48 LYS HD3 H 1 1.570 0.00 . . . . . . . 48 LYS HD3 . 50243 1 289 . 1 . 1 48 48 LYS HE2 H 1 2.889 0.00 . . . . . . . 48 LYS HE2 . 50243 1 290 . 1 . 1 48 48 LYS HE3 H 1 2.872 0.00 . . . . . . . 48 LYS HE3 . 50243 1 291 . 1 . 1 48 48 LYS C C 13 176.675 0.00 . . . . . . . 48 LYS CO . 50243 1 292 . 1 . 1 48 48 LYS CA C 13 55.925 0.03 . . . . . . . 48 LYS CA . 50243 1 293 . 1 . 1 48 48 LYS CB C 13 32.050 0.04 . . . . . . . 48 LYS CB . 50243 1 294 . 1 . 1 48 48 LYS N N 15 122.088 0.15 . . . . . . . 48 LYS N . 50243 1 295 . 1 . 1 49 49 THR H H 1 8.172 0.04 . . . . . . . 49 THR HN . 50243 1 296 . 1 . 1 49 49 THR HA H 1 4.461 0.00 . . . . . . . 49 THR HA . 50243 1 297 . 1 . 1 49 49 THR HB H 1 3.858 0.02 . . . . . . . 49 THR HB . 50243 1 298 . 1 . 1 49 49 THR HG21 H 1 1.115 0.00 . . . . . . . 49 THR HG2 . 50243 1 299 . 1 . 1 49 49 THR HG22 H 1 1.115 0.00 . . . . . . . 49 THR HG2 . 50243 1 300 . 1 . 1 49 49 THR HG23 H 1 1.115 0.00 . . . . . . . 49 THR HG2 . 50243 1 301 . 1 . 1 49 49 THR C C 13 174.616 0.00 . . . . . . . 49 THR CO . 50243 1 302 . 1 . 1 49 49 THR CA C 13 61.554 0.02 . . . . . . . 49 THR CA . 50243 1 303 . 1 . 1 49 49 THR CB C 13 69.374 0.00 . . . . . . . 49 THR CB . 50243 1 304 . 1 . 1 49 49 THR N N 15 116.053 0.38 . . . . . . . 49 THR N . 50243 1 305 . 1 . 1 50 50 GLU H H 1 8.411 0.01 . . . . . . . 50 GLU HN . 50243 1 306 . 1 . 1 50 50 GLU HA H 1 4.249 0.01 . . . . . . . 50 GLU HA . 50243 1 307 . 1 . 1 50 50 GLU HB2 H 1 1.988 0.00 . . . . . . . 50 GLU HB2 . 50243 1 308 . 1 . 1 50 50 GLU HB3 H 1 1.878 0.00 . . . . . . . 50 GLU HB3 . 50243 1 309 . 1 . 1 50 50 GLU HG2 H 1 2.209 0.00 . . . . . . . 50 GLU HG2 . 50243 1 310 . 1 . 1 50 50 GLU HG3 H 1 2.172 0.00 . . . . . . . 50 GLU HG3 . 50243 1 311 . 1 . 1 50 50 GLU HE2 H 1 2.764 0.00 . . . . . . . 50 GLU HE2 . 50243 1 312 . 1 . 1 50 50 GLU C C 13 176.914 0.00 . . . . . . . 50 GLU CO . 50243 1 313 . 1 . 1 50 50 GLU CA C 13 56.385 0.03 . . . . . . . 50 GLU CA . 50243 1 314 . 1 . 1 50 50 GLU CB C 13 29.377 0.01 . . . . . . . 50 GLU CB . 50243 1 315 . 1 . 1 50 50 GLU N N 15 123.754 0.09 . . . . . . . 50 GLU N . 50243 1 316 . 1 . 1 51 51 GLY H H 1 8.399 0.01 . . . . . . . 51 GLY HN . 50243 1 317 . 1 . 1 51 51 GLY HA2 H 1 3.912 0.01 . . . . . . . 51 GLY HA2 . 50243 1 318 . 1 . 1 51 51 GLY HA3 H 1 3.879 0.00 . . . . . . . 51 GLY HA3 . 50243 1 319 . 1 . 1 51 51 GLY C C 13 174.222 0.00 . . . . . . . 51 GLY CO . 50243 1 320 . 1 . 1 51 51 GLY CA C 13 44.847 0.02 . . . . . . . 51 GLY CA . 50243 1 321 . 1 . 1 51 51 GLY N N 15 110.503 0.13 . . . . . . . 51 GLY N . 50243 1 322 . 1 . 1 52 52 GLU H H 1 8.170 0.08 . . . . . . . 52 GLU HN . 50243 1 323 . 1 . 1 52 52 GLU HA H 1 4.213 0.00 . . . . . . . 52 GLU HA . 50243 1 324 . 1 . 1 52 52 GLU HB2 H 1 1.974 0.00 . . . . . . . 52 GLU HB2 . 50243 1 325 . 1 . 1 52 52 GLU HB3 H 1 1.848 0.00 . . . . . . . 52 GLU HB3 . 50243 1 326 . 1 . 1 52 52 GLU HG2 H 1 2.197 0.00 . . . . . . . 52 GLU HG2 . 50243 1 327 . 1 . 1 52 52 GLU HG3 H 1 2.150 0.00 . . . . . . . 52 GLU HG3 . 50243 1 328 . 1 . 1 52 52 GLU C C 13 176.905 0.00 . . . . . . . 52 GLU CO . 50243 1 329 . 1 . 1 52 52 GLU CA C 13 56.062 0.17 . . . . . . . 52 GLU CA . 50243 1 330 . 1 . 1 52 52 GLU CB C 13 29.599 0.02 . . . . . . . 52 GLU CB . 50243 1 331 . 1 . 1 52 52 GLU N N 15 121.010 0.30 . . . . . . . 52 GLU N . 50243 1 332 . 1 . 1 53 53 GLU H H 1 8.507 0.01 . . . . . . . 53 GLU HN . 50243 1 333 . 1 . 1 53 53 GLU HA H 1 4.213 0.00 . . . . . . . 53 GLU HA . 50243 1 334 . 1 . 1 53 53 GLU HB2 H 1 1.966 0.00 . . . . . . . 53 GLU HB2 . 50243 1 335 . 1 . 1 53 53 GLU HB3 H 1 1.869 0.00 . . . . . . . 53 GLU HB3 . 50243 1 336 . 1 . 1 53 53 GLU HG2 H 1 2.187 0.02 . . . . . . . 53 GLU HG2 . 50243 1 337 . 1 . 1 53 53 GLU HG3 H 1 2.181 0.02 . . . . . . . 53 GLU HG3 . 50243 1 338 . 1 . 1 53 53 GLU C C 13 176.655 0.00 . . . . . . . 53 GLU CO . 50243 1 339 . 1 . 1 53 53 GLU CA C 13 56.615 0.06 . . . . . . . 53 GLU CA . 50243 1 340 . 1 . 1 53 53 GLU CB C 13 29.288 0.03 . . . . . . . 53 GLU CB . 50243 1 341 . 1 . 1 53 53 GLU N N 15 121.983 0.12 . . . . . . . 53 GLU N . 50243 1 342 . 1 . 1 54 54 ASP H H 1 8.308 0.01 . . . . . . . 54 ASP HN . 50243 1 343 . 1 . 1 54 54 ASP HA H 1 4.175 0.02 . . . . . . . 54 ASP HA . 50243 1 344 . 1 . 1 54 54 ASP HB2 H 1 2.639 0.02 . . . . . . . 54 ASP HB2 . 50243 1 345 . 1 . 1 54 54 ASP HB3 H 1 2.532 0.00 . . . . . . . 54 ASP HB3 . 50243 1 346 . 1 . 1 54 54 ASP C C 13 176.506 0.00 . . . . . . . 54 ASP CO . 50243 1 347 . 1 . 1 54 54 ASP CA C 13 54.299 0.02 . . . . . . . 54 ASP CA . 50243 1 348 . 1 . 1 54 54 ASP CB C 13 40.471 0.00 . . . . . . . 54 ASP CB . 50243 1 349 . 1 . 1 54 54 ASP N N 15 121.554 0.12 . . . . . . . 54 ASP N . 50243 1 350 . 1 . 1 55 55 ALA H H 1 8.114 0.00 . . . . . . . 55 ALA HN . 50243 1 351 . 1 . 1 55 55 ALA HA H 1 4.474 0.00 . . . . . . . 55 ALA HA . 50243 1 352 . 1 . 1 55 55 ALA HB1 H 1 1.323 0.00 . . . . . . . 55 ALA HB . 50243 1 353 . 1 . 1 55 55 ALA HB2 H 1 1.323 0.00 . . . . . . . 55 ALA HB . 50243 1 354 . 1 . 1 55 55 ALA HB3 H 1 1.323 0.00 . . . . . . . 55 ALA HB . 50243 1 355 . 1 . 1 55 55 ALA C C 13 178.204 0.00 . . . . . . . 55 ALA CO . 50243 1 356 . 1 . 1 55 55 ALA CA C 13 52.649 0.01 . . . . . . . 55 ALA CA . 50243 1 357 . 1 . 1 55 55 ALA CB C 13 18.195 0.01 . . . . . . . 55 ALA CB . 50243 1 358 . 1 . 1 55 55 ALA N N 15 124.481 0.15 . . . . . . . 55 ALA N . 50243 1 359 . 1 . 1 56 56 GLN H H 1 8.208 0.01 . . . . . . . 56 GLN HN . 50243 1 360 . 1 . 1 56 56 GLN HA H 1 4.165 0.01 . . . . . . . 56 GLN HA . 50243 1 361 . 1 . 1 56 56 GLN HB2 H 1 2.056 0.00 . . . . . . . 56 GLN HB2 . 50243 1 362 . 1 . 1 56 56 GLN HB3 H 1 1.934 0.00 . . . . . . . 56 GLN HB3 . 50243 1 363 . 1 . 1 56 56 GLN HG2 H 1 2.308 0.00 . . . . . . . 56 GLN HG2 . 50243 1 364 . 1 . 1 56 56 GLN HG3 H 1 2.276 0.00 . . . . . . . 56 GLN HG3 . 50243 1 365 . 1 . 1 56 56 GLN C C 13 176.441 0.00 . . . . . . . 56 GLN CO . 50243 1 366 . 1 . 1 56 56 GLN CA C 13 55.724 0.02 . . . . . . . 56 GLN CA . 50243 1 367 . 1 . 1 56 56 GLN CB C 13 28.167 0.00 . . . . . . . 56 GLN CB . 50243 1 368 . 1 . 1 56 56 GLN N N 15 118.611 0.11 . . . . . . . 56 GLN N . 50243 1 369 . 1 . 1 57 57 ARG H H 1 8.097 0.01 . . . . . . . 57 ARG HN . 50243 1 370 . 1 . 1 57 57 ARG C C 13 176.600 0.00 . . . . . . . 57 ARG CO . 50243 1 371 . 1 . 1 57 57 ARG CA C 13 55.948 0.10 . . . . . . . 57 ARG CA . 50243 1 372 . 1 . 1 57 57 ARG CB C 13 29.726 0.01 . . . . . . . 57 ARG CB . 50243 1 373 . 1 . 1 57 57 ARG N N 15 122.170 0.04 . . . . . . . 57 ARG N . 50243 1 374 . 1 . 1 58 58 SER H H 1 8.313 0.01 . . . . . . . 58 SER HN . 50243 1 375 . 1 . 1 58 58 SER C C 13 174.870 0.00 . . . . . . . 58 SER CO . 50243 1 376 . 1 . 1 58 58 SER CA C 13 58.136 0.05 . . . . . . . 58 SER CA . 50243 1 377 . 1 . 1 58 58 SER CB C 13 63.135 0.06 . . . . . . . 58 SER CB . 50243 1 378 . 1 . 1 58 58 SER N N 15 117.128 0.03 . . . . . . . 58 SER N . 50243 1 379 . 1 . 1 59 59 SER H H 1 8.334 0.01 . . . . . . . 59 SER HN . 50243 1 380 . 1 . 1 59 59 SER C C 13 175.077 0.00 . . . . . . . 59 SER CO . 50243 1 381 . 1 . 1 59 59 SER CA C 13 58.265 0.05 . . . . . . . 59 SER CA . 50243 1 382 . 1 . 1 59 59 SER CB C 13 63.189 0.10 . . . . . . . 59 SER CB . 50243 1 383 . 1 . 1 59 59 SER N N 15 118.119 0.06 . . . . . . . 59 SER N . 50243 1 384 . 1 . 1 60 60 THR H H 1 8.147 0.03 . . . . . . . 60 THR HN . 50243 1 385 . 1 . 1 60 60 THR HA H 1 4.279 0.00 . . . . . . . 60 THR HA . 50243 1 386 . 1 . 1 60 60 THR HG21 H 1 1.112 0.00 . . . . . . . 60 THR HG2 . 50243 1 387 . 1 . 1 60 60 THR HG22 H 1 1.112 0.00 . . . . . . . 60 THR HG2 . 50243 1 388 . 1 . 1 60 60 THR HG23 H 1 1.112 0.00 . . . . . . . 60 THR HG2 . 50243 1 389 . 1 . 1 60 60 THR C C 13 174.870 0.00 . . . . . . . 60 THR CO . 50243 1 390 . 1 . 1 60 60 THR CA C 13 61.803 0.03 . . . . . . . 60 THR CA . 50243 1 391 . 1 . 1 60 60 THR CB C 13 69.100 0.02 . . . . . . . 60 THR CB . 50243 1 392 . 1 . 1 60 60 THR N N 15 115.848 0.11 . . . . . . . 60 THR N . 50243 1 393 . 1 . 1 61 61 GLU H H 1 8.245 0.01 . . . . . . . 61 GLU HN . 50243 1 394 . 1 . 1 61 61 GLU HB2 H 1 1.981 0.00 . . . . . . . 61 GLU HB2 . 50243 1 395 . 1 . 1 61 61 GLU HB3 H 1 1.874 0.00 . . . . . . . 61 GLU HB3 . 50243 1 396 . 1 . 1 61 61 GLU HG2 H 1 2.212 0.00 . . . . . . . 61 GLU HG2 . 50243 1 397 . 1 . 1 61 61 GLU HG3 H 1 2.169 0.00 . . . . . . . 61 GLU HG3 . 50243 1 398 . 1 . 1 61 61 GLU C C 13 176.559 0.00 . . . . . . . 61 GLU CO . 50243 1 399 . 1 . 1 61 61 GLU CA C 13 56.436 0.03 . . . . . . . 61 GLU CA . 50243 1 400 . 1 . 1 61 61 GLU CB C 13 29.279 0.01 . . . . . . . 61 GLU CB . 50243 1 401 . 1 . 1 61 61 GLU N N 15 123.319 0.14 . . . . . . . 61 GLU N . 50243 1 402 . 1 . 1 62 62 GLN H H 1 8.323 0.01 . . . . . . . 62 GLN HN . 50243 1 403 . 1 . 1 62 62 GLN C C 13 176.107 0.00 . . . . . . . 62 GLN CO . 50243 1 404 . 1 . 1 62 62 GLN CA C 13 55.464 0.09 . . . . . . . 62 GLN CA . 50243 1 405 . 1 . 1 62 62 GLN CB C 13 28.562 0.04 . . . . . . . 62 GLN CB . 50243 1 406 . 1 . 1 62 62 GLN N N 15 121.670 0.06 . . . . . . . 62 GLN N . 50243 1 407 . 1 . 1 63 63 SER H H 1 8.329 0.01 . . . . . . . 63 SER HN . 50243 1 408 . 1 . 1 63 63 SER HA H 1 4.298 0.00 . . . . . . . 63 SER HA . 50243 1 409 . 1 . 1 63 63 SER HB2 H 1 3.874 0.00 . . . . . . . 63 SER HB2 . 50243 1 410 . 1 . 1 63 63 SER HB3 H 1 3.846 0.00 . . . . . . . 63 SER HB3 . 50243 1 411 . 1 . 1 63 63 SER C C 13 175.174 0.00 . . . . . . . 63 SER CO . 50243 1 412 . 1 . 1 63 63 SER CA C 13 58.197 0.04 . . . . . . . 63 SER CA . 50243 1 413 . 1 . 1 63 63 SER CB C 13 63.228 0.03 . . . . . . . 63 SER CB . 50243 1 414 . 1 . 1 63 63 SER N N 15 117.606 0.23 . . . . . . . 63 SER N . 50243 1 415 . 1 . 1 64 64 GLY H H 1 8.373 0.00 . . . . . . . 64 GLY HN . 50243 1 416 . 1 . 1 64 64 GLY HA2 H 1 3.887 0.00 . . . . . . . 64 GLY HA2 . 50243 1 417 . 1 . 1 64 64 GLY HA3 H 1 3.887 0.00 . . . . . . . 64 GLY HA3 . 50243 1 418 . 1 . 1 64 64 GLY C C 13 174.231 0.00 . . . . . . . 64 GLY CO . 50243 1 419 . 1 . 1 64 64 GLY CA C 13 44.852 0.04 . . . . . . . 64 GLY CA . 50243 1 420 . 1 . 1 64 64 GLY N N 15 111.252 0.14 . . . . . . . 64 GLY N . 50243 1 421 . 1 . 1 65 65 GLU H H 1 8.222 0.01 . . . . . . . 65 GLU HN . 50243 1 422 . 1 . 1 65 65 GLU HA H 1 3.881 0.00 . . . . . . . 65 GLU HA . 50243 1 423 . 1 . 1 65 65 GLU HB2 H 1 1.968 0.01 . . . . . . . 65 GLU HB2 . 50243 1 424 . 1 . 1 65 65 GLU HB3 H 1 1.847 0.00 . . . . . . . 65 GLU HB3 . 50243 1 425 . 1 . 1 65 65 GLU HG2 H 1 2.207 0.00 . . . . . . . 65 GLU HG2 . 50243 1 426 . 1 . 1 65 65 GLU HG3 H 1 2.168 0.00 . . . . . . . 65 GLU HG3 . 50243 1 427 . 1 . 1 65 65 GLU C C 13 176.516 0.00 . . . . . . . 65 GLU CO . 50243 1 428 . 1 . 1 65 65 GLU CA C 13 56.104 0.02 . . . . . . . 65 GLU CA . 50243 1 429 . 1 . 1 65 65 GLU CB C 13 29.412 0.00 . . . . . . . 65 GLU CB . 50243 1 430 . 1 . 1 65 65 GLU N N 15 121.149 0.18 . . . . . . . 65 GLU N . 50243 1 431 . 1 . 1 66 66 ALA H H 1 8.308 0.00 . . . . . . . 66 ALA HN . 50243 1 432 . 1 . 1 66 66 ALA HA H 1 4.199 0.00 . . . . . . . 66 ALA HA . 50243 1 433 . 1 . 1 66 66 ALA HB1 H 1 1.303 0.00 . . . . . . . 66 ALA HB . 50243 1 434 . 1 . 1 66 66 ALA HB2 H 1 1.303 0.00 . . . . . . . 66 ALA HB . 50243 1 435 . 1 . 1 66 66 ALA HB3 H 1 1.303 0.00 . . . . . . . 66 ALA HB . 50243 1 436 . 1 . 1 66 66 ALA C C 13 177.794 0.00 . . . . . . . 66 ALA CO . 50243 1 437 . 1 . 1 66 66 ALA CA C 13 52.166 0.00 . . . . . . . 66 ALA CA . 50243 1 438 . 1 . 1 66 66 ALA CB C 13 18.159 0.01 . . . . . . . 66 ALA CB . 50243 1 439 . 1 . 1 66 66 ALA N N 15 125.332 0.13 . . . . . . . 66 ALA N . 50243 1 440 . 1 . 1 67 67 GLN H H 1 8.299 0.01 . . . . . . . 67 GLN HN . 50243 1 441 . 1 . 1 67 67 GLN HA H 1 4.228 0.01 . . . . . . . 67 GLN HA . 50243 1 442 . 1 . 1 67 67 GLN HB2 H 1 2.041 0.00 . . . . . . . 67 GLN HB2 . 50243 1 443 . 1 . 1 67 67 GLN HB3 H 1 1.916 0.00 . . . . . . . 67 GLN HB3 . 50243 1 444 . 1 . 1 67 67 GLN HG2 H 1 2.310 0.00 . . . . . . . 67 GLN HG . 50243 1 445 . 1 . 1 67 67 GLN HG3 H 1 2.310 0.00 . . . . . . . 67 GLN HG . 50243 1 446 . 1 . 1 67 67 GLN C C 13 176.643 0.00 . . . . . . . 67 GLN CO . 50243 1 447 . 1 . 1 67 67 GLN CA C 13 55.512 0.04 . . . . . . . 67 GLN CA . 50243 1 448 . 1 . 1 67 67 GLN CB C 13 28.656 0.01 . . . . . . . 67 GLN CB . 50243 1 449 . 1 . 1 67 67 GLN N N 15 119.897 0.15 . . . . . . . 67 GLN N . 50243 1 450 . 1 . 1 68 68 GLY H H 1 8.301 0.01 . . . . . . . 68 GLY HN . 50243 1 451 . 1 . 1 68 68 GLY HA2 H 1 3.882 0.00 . . . . . . . 68 GLY HA2 . 50243 1 452 . 1 . 1 68 68 GLY HA3 H 1 3.843 0.00 . . . . . . . 68 GLY HA3 . 50243 1 453 . 1 . 1 68 68 GLY C C 13 174.257 0.00 . . . . . . . 68 GLY CO . 50243 1 454 . 1 . 1 68 68 GLY CA C 13 44.901 0.03 . . . . . . . 68 GLY CA . 50243 1 455 . 1 . 1 68 68 GLY N N 15 110.180 0.15 . . . . . . . 68 GLY N . 50243 1 456 . 1 . 1 69 69 GLU H H 1 8.192 0.01 . . . . . . . 69 GLU HN . 50243 1 457 . 1 . 1 69 69 GLU C C 13 176.524 0.00 . . . . . . . 69 GLU CO . 50243 1 458 . 1 . 1 69 69 GLU CA C 13 56.133 0.02 . . . . . . . 69 GLU CA . 50243 1 459 . 1 . 1 69 69 GLU CB C 13 29.433 0.01 . . . . . . . 69 GLU CB . 50243 1 460 . 1 . 1 69 69 GLU N N 15 121.071 0.05 . . . . . . . 69 GLU N . 50243 1 461 . 1 . 1 70 70 ALA H H 1 8.245 0.00 . . . . . . . 70 ALA HN . 50243 1 462 . 1 . 1 70 70 ALA HA H 1 4.176 0.00 . . . . . . . 70 ALA HA . 50243 1 463 . 1 . 1 70 70 ALA HB1 H 1 1.311 0.00 . . . . . . . 70 ALA HB . 50243 1 464 . 1 . 1 70 70 ALA HB2 H 1 1.311 0.00 . . . . . . . 70 ALA HB . 50243 1 465 . 1 . 1 70 70 ALA HB3 H 1 1.311 0.00 . . . . . . . 70 ALA HB . 50243 1 466 . 1 . 1 70 70 ALA C C 13 177.626 0.00 . . . . . . . 70 ALA CO . 50243 1 467 . 1 . 1 70 70 ALA CA C 13 52.110 0.03 . . . . . . . 70 ALA CA . 50243 1 468 . 1 . 1 70 70 ALA CB C 13 18.155 0.10 . . . . . . . 70 ALA CB . 50243 1 469 . 1 . 1 70 70 ALA N N 15 125.200 0.09 . . . . . . . 70 ALA N . 50243 1 470 . 1 . 1 71 71 ALA H H 1 8.119 0.01 . . . . . . . 71 ALA HN . 50243 1 471 . 1 . 1 71 71 ALA C C 13 177.803 0.00 . . . . . . . 71 ALA CO . 50243 1 472 . 1 . 1 71 71 ALA CA C 13 51.994 0.03 . . . . . . . 71 ALA CA . 50243 1 473 . 1 . 1 71 71 ALA CB C 13 18.244 0.00 . . . . . . . 71 ALA CB . 50243 1 474 . 1 . 1 71 71 ALA N N 15 123.394 0.03 . . . . . . . 71 ALA N . 50243 1 475 . 1 . 1 72 72 LYS H H 1 8.156 0.01 . . . . . . . 72 LYS HN . 50243 1 476 . 1 . 1 72 72 LYS C C 13 176.675 0.00 . . . . . . . 72 LYS CO . 50243 1 477 . 1 . 1 72 72 LYS CA C 13 55.822 0.05 . . . . . . . 72 LYS CA . 50243 1 478 . 1 . 1 72 72 LYS CB C 13 32.139 0.00 . . . . . . . 72 LYS CB . 50243 1 479 . 1 . 1 72 72 LYS N N 15 121.108 0.10 . . . . . . . 72 LYS N . 50243 1 480 . 1 . 1 73 73 SER H H 1 8.271 0.01 . . . . . . . 73 SER HN . 50243 1 481 . 1 . 1 73 73 SER HA H 1 4.253 0.00 . . . . . . . 73 SER HA . 50243 1 482 . 1 . 1 73 73 SER HB3 H 1 3.819 0.00 . . . . . . . 73 SER HB3 . 50243 1 483 . 1 . 1 73 73 SER C C 13 174.470 0.00 . . . . . . . 73 SER CO . 50243 1 484 . 1 . 1 73 73 SER CA C 13 57.863 0.01 . . . . . . . 73 SER CA . 50243 1 485 . 1 . 1 73 73 SER CB C 13 63.267 0.01 . . . . . . . 73 SER CB . 50243 1 486 . 1 . 1 73 73 SER N N 15 117.562 0.15 . . . . . . . 73 SER N . 50243 1 487 . 1 . 1 74 74 GLU H H 1 8.389 0.01 . . . . . . . 74 GLU HN . 50243 1 488 . 1 . 1 74 74 GLU HA H 1 4.232 0.02 . . . . . . . 74 GLU HA . 50243 1 489 . 1 . 1 74 74 GLU C C 13 175.659 0.00 . . . . . . . 74 GLU CO . 50243 1 490 . 1 . 1 74 74 GLU CA C 13 56.192 0.04 . . . . . . . 74 GLU CA . 50243 1 491 . 1 . 1 74 74 GLU CB C 13 29.575 0.01 . . . . . . . 74 GLU CB . 50243 1 492 . 1 . 1 74 74 GLU N N 15 123.595 0.07 . . . . . . . 74 GLU N . 50243 1 493 . 1 . 1 75 75 SER H H 1 7.914 0.01 . . . . . . . 75 SER HN . 50243 1 494 . 1 . 1 75 75 SER HA H 1 4.292 0.00 . . . . . . . 75 SER HA . 50243 1 495 . 1 . 1 75 75 SER CA C 13 59.614 0.03 . . . . . . . 75 SER CA . 50243 1 496 . 1 . 1 75 75 SER CB C 13 64.233 0.00 . . . . . . . 75 SER CB . 50243 1 497 . 1 . 1 75 75 SER N N 15 122.304 0.06 . . . . . . . 75 SER N . 50243 1 stop_ save_