################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25901 _Assigned_chem_shift_list.ID 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 $chemical_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' . . . 25901 1 2 '3D CBCA(CO)NH' . . . 25901 1 3 '3D HNCO' . . . 25901 1 4 '3D HCACO' . . . 25901 1 5 '3D HNCACB' . . . 25901 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 $SPARKY . . 25901 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 . 2 2 3 3 ASP H H 1 8.399 0.020 . 1 . . . B 3 ASP H . 25901 1 2 . 2 2 3 3 ASP C C 13 175.850 0.3 . 1 . . . B 3 ASP C . 25901 1 3 . 2 2 3 3 ASP CA C 13 54.069 0.3 . 1 . . . B 3 ASP CA . 25901 1 4 . 2 2 3 3 ASP CB C 13 40.656 0.3 . 1 . . . B 3 ASP CB . 25901 1 5 . 2 2 3 3 ASP N N 15 119.836 0.3 . 1 . . . B 3 ASP N . 25901 1 6 . 2 2 4 4 GLU H H 1 8.290 0.020 . 1 . . . B 4 GLU H . 25901 1 7 . 2 2 4 4 GLU C C 13 176.046 0.3 . 1 . . . B 4 GLU C . 25901 1 8 . 2 2 4 4 GLU CA C 13 56.352 0.3 . 1 . . . B 4 GLU CA . 25901 1 9 . 2 2 4 4 GLU CB C 13 30.165 0.3 . 1 . . . B 4 GLU CB . 25901 1 10 . 2 2 4 4 GLU N N 15 121.245 0.3 . 1 . . . B 4 GLU N . 25901 1 11 . 2 2 5 5 LYS H H 1 8.360 0.020 . 1 . . . B 5 LYS H . 25901 1 12 . 2 2 5 5 LYS C C 13 173.494 0.3 . 1 . . . B 5 LYS C . 25901 1 13 . 2 2 5 5 LYS CA C 13 53.706 0.3 . 1 . . . B 5 LYS CA . 25901 1 14 . 2 2 5 5 LYS CB C 13 32.076 0.3 . 1 . . . B 5 LYS CB . 25901 1 15 . 2 2 5 5 LYS N N 15 124.018 0.3 . 1 . . . B 5 LYS N . 25901 1 16 . 2 2 6 6 PRO CA C 13 63.217 0.3 . 1 . . . B 6 PRO CA . 25901 1 17 . 2 2 6 6 PRO CB C 13 31.976 0.3 . 1 . . . B 6 PRO CB . 25901 1 18 . 2 2 7 7 LYS H H 1 8.474 0.020 . 1 . . . B 7 LYS H . 25901 1 19 . 2 2 7 7 LYS C C 13 176.627 0.3 . 1 . . . B 7 LYS C . 25901 1 20 . 2 2 7 7 LYS CA C 13 56.490 0.3 . 1 . . . B 7 LYS CA . 25901 1 21 . 2 2 7 7 LYS CB C 13 32.983 0.3 . 1 . . . B 7 LYS CB . 25901 1 22 . 2 2 7 7 LYS N N 15 122.274 0.3 . 1 . . . B 7 LYS N . 25901 1 23 . 2 2 8 8 GLU H H 1 8.447 0.020 . 1 . . . B 8 GLU H . 25901 1 24 . 2 2 8 8 GLU C C 13 176.817 0.3 . 1 . . . B 8 GLU C . 25901 1 25 . 2 2 8 8 GLU CA C 13 56.632 0.3 . 1 . . . B 8 GLU CA . 25901 1 26 . 2 2 8 8 GLU CB C 13 30.022 0.3 . 1 . . . B 8 GLU CB . 25901 1 27 . 2 2 8 8 GLU N N 15 122.009 0.3 . 1 . . . B 8 GLU N . 25901 1 28 . 2 2 9 9 GLY H H 1 8.438 0.020 . 1 . . . B 9 GLY H . 25901 1 29 . 2 2 9 9 GLY C C 13 173.805 0.3 . 1 . . . B 9 GLY C . 25901 1 30 . 2 2 9 9 GLY CA C 13 45.244 0.3 . 1 . . . B 9 GLY CA . 25901 1 31 . 2 2 9 9 GLY N N 15 110.232 0.3 . 1 . . . B 9 GLY N . 25901 1 32 . 2 2 10 10 VAL H H 1 7.950 0.020 . 1 . . . B 10 VAL H . 25901 1 33 . 2 2 10 10 VAL C C 13 176.098 0.3 . 1 . . . B 10 VAL C . 25901 1 34 . 2 2 10 10 VAL CA C 13 62.307 0.3 . 1 . . . B 10 VAL CA . 25901 1 35 . 2 2 10 10 VAL CB C 13 32.849 0.3 . 1 . . . B 10 VAL CB . 25901 1 36 . 2 2 10 10 VAL N N 15 119.495 0.3 . 1 . . . B 10 VAL N . 25901 1 37 . 2 2 11 11 LYS H H 1 8.489 0.020 . 1 . . . B 11 LYS H . 25901 1 38 . 2 2 11 11 LYS C C 13 176.516 0.3 . 1 . . . B 11 LYS C . 25901 1 39 . 2 2 11 11 LYS CA C 13 56.274 0.3 . 1 . . . B 11 LYS CA . 25901 1 40 . 2 2 11 11 LYS CB C 13 33.126 0.3 . 1 . . . B 11 LYS CB . 25901 1 41 . 2 2 11 11 LYS N N 15 125.835 0.3 . 1 . . . B 11 LYS N . 25901 1 42 . 2 2 12 12 THR H H 1 8.318 0.020 . 1 . . . B 12 THR H . 25901 1 43 . 2 2 12 12 THR C C 13 173.605 0.3 . 1 . . . B 12 THR C . 25901 1 44 . 2 2 12 12 THR CA C 13 61.319 0.3 . 1 . . . B 12 THR CA . 25901 1 45 . 2 2 12 12 THR CB C 13 69.476 0.3 . 1 . . . B 12 THR CB . 25901 1 46 . 2 2 12 12 THR N N 15 116.798 0.3 . 1 . . . B 12 THR N . 25901 1 47 . 2 2 13 13 GLU H H 1 8.523 0.020 . 1 . . . B 13 GLU H . 25901 1 48 . 2 2 13 13 GLU C C 13 175.936 0.3 . 1 . . . B 13 GLU C . 25901 1 49 . 2 2 13 13 GLU CA C 13 56.395 0.3 . 1 . . . B 13 GLU CA . 25901 1 50 . 2 2 13 13 GLU CB C 13 29.962 0.3 . 1 . . . B 13 GLU CB . 25901 1 51 . 2 2 13 13 GLU N N 15 123.087 0.3 . 1 . . . B 13 GLU N . 25901 1 52 . 2 2 16 16 ASP CA C 13 54.416 0.3 . 1 . . . B 16 ASP CA . 25901 1 53 . 2 2 16 16 ASP CB C 13 41.261 0.3 . 1 . . . B 16 ASP CB . 25901 1 54 . 2 2 17 17 HIS H H 1 8.183 0.020 . 1 . . . B 17 HIS H . 25901 1 55 . 2 2 17 17 HIS CA C 13 57.392 0.3 . 1 . . . B 17 HIS CA . 25901 1 56 . 2 2 17 17 HIS CB C 13 31.577 0.3 . 1 . . . B 17 HIS CB . 25901 1 57 . 2 2 17 17 HIS N N 15 116.263 0.3 . 1 . . . B 17 HIS N . 25901 1 58 . 2 2 18 18 ILE H H 1 9.052 0.020 . 1 . . . B 18 ILE H . 25901 1 59 . 2 2 18 18 ILE C C 13 173.224 0.3 . 1 . . . B 18 ILE C . 25901 1 60 . 2 2 18 18 ILE CA C 13 59.815 0.3 . 1 . . . B 18 ILE CA . 25901 1 61 . 2 2 18 18 ILE CB C 13 41.683 0.3 . 1 . . . B 18 ILE CB . 25901 1 62 . 2 2 18 18 ILE N N 15 117.595 0.3 . 1 . . . B 18 ILE N . 25901 1 63 . 2 2 19 19 ASN H H 1 8.917 0.020 . 1 . . . B 19 ASN H . 25901 1 64 . 2 2 19 19 ASN C C 13 175.146 0.3 . 1 . . . B 19 ASN C . 25901 1 65 . 2 2 19 19 ASN CA C 13 51.971 0.3 . 1 . . . B 19 ASN CA . 25901 1 66 . 2 2 19 19 ASN CB C 13 39.629 0.3 . 1 . . . B 19 ASN CB . 25901 1 67 . 2 2 19 19 ASN N N 15 121.644 0.3 . 1 . . . B 19 ASN N . 25901 1 68 . 2 2 20 20 LEU H H 1 9.061 0.020 . 1 . . . B 20 LEU H . 25901 1 69 . 2 2 20 20 LEU C C 13 175.776 0.3 . 1 . . . B 20 LEU C . 25901 1 70 . 2 2 20 20 LEU CA C 13 52.921 0.3 . 1 . . . B 20 LEU CA . 25901 1 71 . 2 2 20 20 LEU CB C 13 47.121 0.3 . 1 . . . B 20 LEU CB . 25901 1 72 . 2 2 20 20 LEU N N 15 122.465 0.3 . 1 . . . B 20 LEU N . 25901 1 73 . 2 2 21 21 LYS H H 1 8.660 0.020 . 1 . . . B 21 LYS H . 25901 1 74 . 2 2 21 21 LYS C C 13 175.246 0.3 . 1 . . . B 21 LYS C . 25901 1 75 . 2 2 21 21 LYS CA C 13 55.048 0.3 . 1 . . . B 21 LYS CA . 25901 1 76 . 2 2 21 21 LYS CB C 13 34.970 0.3 . 1 . . . B 21 LYS CB . 25901 1 77 . 2 2 21 21 LYS N N 15 120.498 0.3 . 1 . . . B 21 LYS N . 25901 1 78 . 2 2 22 22 VAL H H 1 9.170 0.020 . 1 . . . B 22 VAL H . 25901 1 79 . 2 2 22 22 VAL C C 13 175.156 0.3 . 1 . . . B 22 VAL C . 25901 1 80 . 2 2 22 22 VAL CA C 13 61.224 0.3 . 1 . . . B 22 VAL CA . 25901 1 81 . 2 2 22 22 VAL CB C 13 33.093 0.3 . 1 . . . B 22 VAL CB . 25901 1 82 . 2 2 22 22 VAL N N 15 121.334 0.3 . 1 . . . B 22 VAL N . 25901 1 83 . 2 2 23 23 ALA H H 1 9.220 0.020 . 1 . . . B 23 ALA H . 25901 1 84 . 2 2 23 23 ALA C C 13 176.907 0.3 . 1 . . . B 23 ALA C . 25901 1 85 . 2 2 23 23 ALA CA C 13 50.383 0.3 . 1 . . . B 23 ALA CA . 25901 1 86 . 2 2 23 23 ALA CB C 13 20.995 0.3 . 1 . . . B 23 ALA CB . 25901 1 87 . 2 2 23 23 ALA N N 15 132.962 0.3 . 1 . . . B 23 ALA N . 25901 1 88 . 2 2 24 24 GLY H H 1 8.644 0.020 . 1 . . . B 24 GLY H . 25901 1 89 . 2 2 24 24 GLY C C 13 175.936 0.3 . 1 . . . B 24 GLY C . 25901 1 90 . 2 2 24 24 GLY CA C 13 43.892 0.3 . 1 . . . B 24 GLY CA . 25901 1 91 . 2 2 24 24 GLY N N 15 109.802 0.3 . 1 . . . B 24 GLY N . 25901 1 92 . 2 2 25 25 GLN H H 1 8.983 0.020 . 1 . . . B 25 GLN H . 25901 1 93 . 2 2 25 25 GLN C C 13 175.876 0.3 . 1 . . . B 25 GLN C . 25901 1 94 . 2 2 25 25 GLN CA C 13 57.931 0.3 . 1 . . . B 25 GLN CA . 25901 1 95 . 2 2 25 25 GLN N N 15 120.934 0.3 . 1 . . . B 25 GLN N . 25901 1 96 . 2 2 26 26 ASP H H 1 8.300 0.020 . 1 . . . B 26 ASP H . 25901 1 97 . 2 2 26 26 ASP C C 13 176.817 0.3 . 1 . . . B 26 ASP C . 25901 1 98 . 2 2 26 26 ASP CA C 13 53.074 0.3 . 1 . . . B 26 ASP CA . 25901 1 99 . 2 2 26 26 ASP CB C 13 40.065 0.3 . 1 . . . B 26 ASP CB . 25901 1 100 . 2 2 26 26 ASP N N 15 116.814 0.3 . 1 . . . B 26 ASP N . 25901 1 101 . 2 2 27 27 GLY H H 1 7.895 0.020 . 1 . . . B 27 GLY H . 25901 1 102 . 2 2 27 27 GLY C C 13 175.091 0.3 . 1 . . . B 27 GLY C . 25901 1 103 . 2 2 27 27 GLY CA C 13 45.274 0.3 . 1 . . . B 27 GLY CA . 25901 1 104 . 2 2 27 27 GLY N N 15 108.232 0.3 . 1 . . . B 27 GLY N . 25901 1 105 . 2 2 28 28 SER H H 1 7.997 0.020 . 1 . . . B 28 SER H . 25901 1 106 . 2 2 28 28 SER C C 13 174.485 0.3 . 1 . . . B 28 SER C . 25901 1 107 . 2 2 28 28 SER CA C 13 58.574 0.3 . 1 . . . B 28 SER CA . 25901 1 108 . 2 2 28 28 SER CB C 13 64.557 0.3 . 1 . . . B 28 SER CB . 25901 1 109 . 2 2 28 28 SER N N 15 116.817 0.3 . 1 . . . B 28 SER N . 25901 1 110 . 2 2 29 29 VAL H H 1 8.560 0.020 . 1 . . . B 29 VAL H . 25901 1 111 . 2 2 29 29 VAL C C 13 175.436 0.3 . 1 . . . B 29 VAL C . 25901 1 112 . 2 2 29 29 VAL CA C 13 61.954 0.3 . 1 . . . B 29 VAL CA . 25901 1 113 . 2 2 29 29 VAL CB C 13 35.225 0.3 . 1 . . . B 29 VAL CB . 25901 1 114 . 2 2 29 29 VAL N N 15 122.283 0.3 . 1 . . . B 29 VAL N . 25901 1 115 . 2 2 30 30 VAL H H 1 8.624 0.020 . 1 . . . B 30 VAL H . 25901 1 116 . 2 2 30 30 VAL C C 13 174.365 0.3 . 1 . . . B 30 VAL C . 25901 1 117 . 2 2 30 30 VAL CA C 13 61.839 0.3 . 1 . . . B 30 VAL CA . 25901 1 118 . 2 2 30 30 VAL CB C 13 34.381 0.3 . 1 . . . B 30 VAL CB . 25901 1 119 . 2 2 30 30 VAL N N 15 127.669 0.3 . 1 . . . B 30 VAL N . 25901 1 120 . 2 2 31 31 GLN H H 1 8.529 0.020 . 1 . . . B 31 GLN H . 25901 1 121 . 2 2 31 31 GLN C C 13 176.637 0.3 . 1 . . . B 31 GLN C . 25901 1 122 . 2 2 31 31 GLN CA C 13 55.735 0.3 . 1 . . . B 31 GLN CA . 25901 1 123 . 2 2 31 31 GLN CB C 13 30.357 0.3 . 1 . . . B 31 GLN CB . 25901 1 124 . 2 2 31 31 GLN N N 15 125.649 0.3 . 1 . . . B 31 GLN N . 25901 1 125 . 2 2 32 32 PHE H H 1 9.229 0.020 . 1 . . . B 32 PHE H . 25901 1 126 . 2 2 32 32 PHE CB C 13 30.083 0.3 . 1 . . . B 32 PHE CB . 25901 1 127 . 2 2 32 32 PHE N N 15 119.866 0.3 . 1 . . . B 32 PHE N . 25901 1 128 . 2 2 34 34 ILE H H 1 9.060 0.020 . 1 . . . B 34 ILE H . 25901 1 129 . 2 2 34 34 ILE C C 13 172.714 0.3 . 1 . . . B 34 ILE C . 25901 1 130 . 2 2 34 34 ILE CA C 13 59.446 0.3 . 1 . . . B 34 ILE CA . 25901 1 131 . 2 2 34 34 ILE CB C 13 42.469 0.3 . 1 . . . B 34 ILE CB . 25901 1 132 . 2 2 34 34 ILE N N 15 122.883 0.3 . 1 . . . B 34 ILE N . 25901 1 133 . 2 2 37 37 HIS H H 1 7.793 0.020 . 1 . . . B 37 HIS H . 25901 1 134 . 2 2 37 37 HIS CA C 13 54.690 0.3 . 1 . . . B 37 HIS CA . 25901 1 135 . 2 2 37 37 HIS CB C 13 28.897 0.3 . 1 . . . B 37 HIS CB . 25901 1 136 . 2 2 37 37 HIS N N 15 110.951 0.3 . 1 . . . B 37 HIS N . 25901 1 137 . 2 2 38 38 THR H H 1 7.459 0.020 . 1 . . . B 38 THR H . 25901 1 138 . 2 2 38 38 THR N N 15 122.811 0.3 . 1 . . . B 38 THR N . 25901 1 139 . 2 2 39 39 PRO CA C 13 62.828 0.3 . 1 . . . B 39 PRO CA . 25901 1 140 . 2 2 39 39 PRO CB C 13 32.250 0.3 . 1 . . . B 39 PRO CB . 25901 1 141 . 2 2 40 40 LEU H H 1 9.073 0.020 . 1 . . . B 40 LEU H . 25901 1 142 . 2 2 40 40 LEU C C 13 178.067 0.3 . 1 . . . B 40 LEU C . 25901 1 143 . 2 2 40 40 LEU CA C 13 57.150 0.3 . 1 . . . B 40 LEU CA . 25901 1 144 . 2 2 40 40 LEU CB C 13 41.018 0.3 . 1 . . . B 40 LEU CB . 25901 1 145 . 2 2 40 40 LEU N N 15 121.350 0.3 . 1 . . . B 40 LEU N . 25901 1 146 . 2 2 41 41 SER H H 1 8.476 0.020 . 1 . . . B 41 SER H . 25901 1 147 . 2 2 41 41 SER CA C 13 61.147 0.3 . 1 . . . B 41 SER CA . 25901 1 148 . 2 2 41 41 SER N N 15 116.449 0.3 . 1 . . . B 41 SER N . 25901 1 149 . 2 2 42 42 LYS H H 1 7.720 0.020 . 1 . . . B 42 LYS H . 25901 1 150 . 2 2 42 42 LYS C C 13 179.348 0.3 . 1 . . . B 42 LYS C . 25901 1 151 . 2 2 42 42 LYS CA C 13 59.930 0.3 . 1 . . . B 42 LYS CA . 25901 1 152 . 2 2 42 42 LYS CB C 13 32.842 0.3 . 1 . . . B 42 LYS CB . 25901 1 153 . 2 2 42 42 LYS N N 15 118.883 0.3 . 1 . . . B 42 LYS N . 25901 1 154 . 2 2 43 43 LEU H H 1 6.761 0.020 . 1 . . . B 43 LEU H . 25901 1 155 . 2 2 43 43 LEU C C 13 176.961 0.3 . 1 . . . B 43 LEU C . 25901 1 156 . 2 2 43 43 LEU CA C 13 58.177 0.3 . 1 . . . B 43 LEU CA . 25901 1 157 . 2 2 43 43 LEU CB C 13 42.046 0.3 . 1 . . . B 43 LEU CB . 25901 1 158 . 2 2 43 43 LEU N N 15 121.231 0.3 . 1 . . . B 43 LEU N . 25901 1 159 . 2 2 44 44 MET H H 1 8.255 0.020 . 1 . . . B 44 MET H . 25901 1 160 . 2 2 44 44 MET C C 13 177.784 0.3 . 1 . . . B 44 MET C . 25901 1 161 . 2 2 44 44 MET CA C 13 59.396 0.3 . 1 . . . B 44 MET CA . 25901 1 162 . 2 2 44 44 MET CB C 13 32.620 0.3 . 1 . . . B 44 MET CB . 25901 1 163 . 2 2 44 44 MET N N 15 119.346 0.3 . 1 . . . B 44 MET N . 25901 1 164 . 2 2 45 45 LYS H H 1 8.198 0.020 . 1 . . . B 45 LYS H . 25901 1 165 . 2 2 45 45 LYS C C 13 178.571 0.3 . 1 . . . B 45 LYS C . 25901 1 166 . 2 2 45 45 LYS CA C 13 59.925 0.3 . 1 . . . B 45 LYS CA . 25901 1 167 . 2 2 45 45 LYS CB C 13 32.780 0.3 . 1 . . . B 45 LYS CB . 25901 1 168 . 2 2 45 45 LYS N N 15 118.699 0.3 . 1 . . . B 45 LYS N . 25901 1 169 . 2 2 46 46 ALA H H 1 7.422 0.020 . 1 . . . B 46 ALA H . 25901 1 170 . 2 2 46 46 ALA C C 13 180.659 0.3 . 1 . . . B 46 ALA C . 25901 1 171 . 2 2 46 46 ALA CA C 13 55.148 0.3 . 1 . . . B 46 ALA CA . 25901 1 172 . 2 2 46 46 ALA CB C 13 18.800 0.3 . 1 . . . B 46 ALA CB . 25901 1 173 . 2 2 46 46 ALA N N 15 121.171 0.3 . 1 . . . B 46 ALA N . 25901 1 174 . 2 2 47 47 TYR H H 1 8.877 0.020 . 1 . . . B 47 TYR H . 25901 1 175 . 2 2 47 47 TYR C C 13 176.817 0.3 . 1 . . . B 47 TYR C . 25901 1 176 . 2 2 47 47 TYR CA C 13 63.192 0.3 . 1 . . . B 47 TYR CA . 25901 1 177 . 2 2 47 47 TYR CB C 13 38.397 0.3 . 1 . . . B 47 TYR CB . 25901 1 178 . 2 2 47 47 TYR N N 15 119.309 0.3 . 1 . . . B 47 TYR N . 25901 1 179 . 2 2 48 48 CYS H H 1 8.438 0.020 . 1 . . . B 48 CYS H . 25901 1 180 . 2 2 48 48 CYS C C 13 177.207 0.3 . 1 . . . B 48 CYS C . 25901 1 181 . 2 2 48 48 CYS CA C 13 65.669 0.3 . 1 . . . B 48 CYS CA . 25901 1 182 . 2 2 48 48 CYS CB C 13 26.268 0.3 . 1 . . . B 48 CYS CB . 25901 1 183 . 2 2 48 48 CYS N N 15 116.931 0.3 . 1 . . . B 48 CYS N . 25901 1 184 . 2 2 49 49 GLU H H 1 8.323 0.020 . 1 . . . B 49 GLU H . 25901 1 185 . 2 2 49 49 GLU C C 13 179.168 0.3 . 1 . . . B 49 GLU C . 25901 1 186 . 2 2 49 49 GLU CA C 13 59.265 0.3 . 1 . . . B 49 GLU CA . 25901 1 187 . 2 2 49 49 GLU CB C 13 28.932 0.3 . 1 . . . B 49 GLU CB . 25901 1 188 . 2 2 49 49 GLU N N 15 118.738 0.3 . 1 . . . B 49 GLU N . 25901 1 189 . 2 2 50 50 ARG H H 1 7.928 0.020 . 1 . . . B 50 ARG H . 25901 1 190 . 2 2 50 50 ARG C C 13 177.887 0.3 . 1 . . . B 50 ARG C . 25901 1 191 . 2 2 50 50 ARG CA C 13 58.300 0.3 . 1 . . . B 50 ARG CA . 25901 1 192 . 2 2 50 50 ARG CB C 13 29.888 0.3 . 1 . . . B 50 ARG CB . 25901 1 193 . 2 2 50 50 ARG N N 15 119.476 0.3 . 1 . . . B 50 ARG N . 25901 1 194 . 2 2 51 51 GLN H H 1 7.760 0.020 . 1 . . . B 51 GLN H . 25901 1 195 . 2 2 51 51 GLN C C 13 176.116 0.3 . 1 . . . B 51 GLN C . 25901 1 196 . 2 2 51 51 GLN CA C 13 54.758 0.3 . 1 . . . B 51 GLN CA . 25901 1 197 . 2 2 51 51 GLN CB C 13 30.630 0.3 . 1 . . . B 51 GLN CB . 25901 1 198 . 2 2 51 51 GLN N N 15 112.624 0.3 . 1 . . . B 51 GLN N . 25901 1 199 . 2 2 52 52 GLY H H 1 7.713 0.020 . 1 . . . B 52 GLY H . 25901 1 200 . 2 2 52 52 GLY C C 13 174.575 0.3 . 1 . . . B 52 GLY C . 25901 1 201 . 2 2 52 52 GLY CA C 13 46.407 0.3 . 1 . . . B 52 GLY CA . 25901 1 202 . 2 2 52 52 GLY N N 15 109.792 0.3 . 1 . . . B 52 GLY N . 25901 1 203 . 2 2 53 53 LEU H H 1 8.060 0.020 . 1 . . . B 53 LEU H . 25901 1 204 . 2 2 53 53 LEU C C 13 175.756 0.3 . 1 . . . B 53 LEU C . 25901 1 205 . 2 2 53 53 LEU CA C 13 52.954 0.3 . 1 . . . B 53 LEU CA . 25901 1 206 . 2 2 53 53 LEU CB C 13 45.996 0.3 . 1 . . . B 53 LEU CB . 25901 1 207 . 2 2 53 53 LEU N N 15 119.042 0.3 . 1 . . . B 53 LEU N . 25901 1 208 . 2 2 54 54 SER H H 1 8.491 0.020 . 1 . . . B 54 SER H . 25901 1 209 . 2 2 54 54 SER C C 13 175.846 0.3 . 1 . . . B 54 SER C . 25901 1 210 . 2 2 54 54 SER CA C 13 56.360 0.3 . 1 . . . B 54 SER CA . 25901 1 211 . 2 2 54 54 SER CB C 13 64.501 0.3 . 1 . . . B 54 SER CB . 25901 1 212 . 2 2 54 54 SER N N 15 114.608 0.3 . 1 . . . B 54 SER N . 25901 1 213 . 2 2 55 55 MET H H 1 8.974 0.020 . 1 . . . B 55 MET H . 25901 1 214 . 2 2 55 55 MET C C 13 177.317 0.3 . 1 . . . B 55 MET C . 25901 1 215 . 2 2 55 55 MET CA C 13 58.043 0.3 . 1 . . . B 55 MET CA . 25901 1 216 . 2 2 55 55 MET CB C 13 32.407 0.3 . 1 . . . B 55 MET CB . 25901 1 217 . 2 2 55 55 MET N N 15 126.280 0.3 . 1 . . . B 55 MET N . 25901 1 218 . 2 2 56 56 ARG H H 1 8.015 0.020 . 1 . . . B 56 ARG H . 25901 1 219 . 2 2 56 56 ARG C C 13 177.347 0.3 . 1 . . . B 56 ARG C . 25901 1 220 . 2 2 56 56 ARG CA C 13 57.559 0.3 . 1 . . . B 56 ARG CA . 25901 1 221 . 2 2 56 56 ARG CB C 13 30.245 0.3 . 1 . . . B 56 ARG CB . 25901 1 222 . 2 2 56 56 ARG N N 15 114.182 0.3 . 1 . . . B 56 ARG N . 25901 1 223 . 2 2 57 57 GLN H H 1 7.816 0.020 . 1 . . . B 57 GLN H . 25901 1 224 . 2 2 57 57 GLN C C 13 175.136 0.3 . 1 . . . B 57 GLN C . 25901 1 225 . 2 2 57 57 GLN CA C 13 56.208 0.3 . 1 . . . B 57 GLN CA . 25901 1 226 . 2 2 57 57 GLN CB C 13 30.747 0.3 . 1 . . . B 57 GLN CB . 25901 1 227 . 2 2 57 57 GLN N N 15 115.652 0.3 . 1 . . . B 57 GLN N . 25901 1 228 . 2 2 58 58 ILE H H 1 7.316 0.020 . 1 . . . B 58 ILE H . 25901 1 229 . 2 2 58 58 ILE C C 13 174.135 0.3 . 1 . . . B 58 ILE C . 25901 1 230 . 2 2 58 58 ILE CA C 13 58.661 0.3 . 1 . . . B 58 ILE CA . 25901 1 231 . 2 2 58 58 ILE CB C 13 40.777 0.3 . 1 . . . B 58 ILE CB . 25901 1 232 . 2 2 58 58 ILE N N 15 115.146 0.3 . 1 . . . B 58 ILE N . 25901 1 233 . 2 2 59 59 ARG H H 1 8.442 0.020 . 1 . . . B 59 ARG H . 25901 1 234 . 2 2 59 59 ARG C C 13 173.602 0.3 . 1 . . . B 59 ARG C . 25901 1 235 . 2 2 59 59 ARG CA C 13 54.088 0.3 . 1 . . . B 59 ARG CA . 25901 1 236 . 2 2 59 59 ARG CB C 13 33.279 0.3 . 1 . . . B 59 ARG CB . 25901 1 237 . 2 2 59 59 ARG N N 15 121.095 0.3 . 1 . . . B 59 ARG N . 25901 1 238 . 2 2 60 60 PHE H H 1 8.986 0.020 . 1 . . . B 60 PHE H . 25901 1 239 . 2 2 60 60 PHE C C 13 175.876 0.3 . 1 . . . B 60 PHE C . 25901 1 240 . 2 2 60 60 PHE CA C 13 55.690 0.3 . 1 . . . B 60 PHE CA . 25901 1 241 . 2 2 60 60 PHE CB C 13 42.199 0.3 . 1 . . . B 60 PHE CB . 25901 1 242 . 2 2 60 60 PHE N N 15 120.637 0.3 . 1 . . . B 60 PHE N . 25901 1 243 . 2 2 61 61 ARG H H 1 9.530 0.020 . 1 . . . B 61 ARG H . 25901 1 244 . 2 2 61 61 ARG C C 13 173.694 0.3 . 1 . . . B 61 ARG C . 25901 1 245 . 2 2 61 61 ARG CA C 13 54.633 0.3 . 1 . . . B 61 ARG CA . 25901 1 246 . 2 2 61 61 ARG CB C 13 35.932 0.3 . 1 . . . B 61 ARG CB . 25901 1 247 . 2 2 61 61 ARG N N 15 122.078 0.3 . 1 . . . B 61 ARG N . 25901 1 248 . 2 2 62 62 PHE H H 1 8.984 0.020 . 1 . . . B 62 PHE H . 25901 1 249 . 2 2 62 62 PHE C C 13 175.915 0.3 . 1 . . . B 62 PHE C . 25901 1 250 . 2 2 62 62 PHE CA C 13 55.939 0.3 . 1 . . . B 62 PHE CA . 25901 1 251 . 2 2 62 62 PHE CB C 13 41.575 0.3 . 1 . . . B 62 PHE CB . 25901 1 252 . 2 2 62 62 PHE N N 15 120.216 0.3 . 1 . . . B 62 PHE N . 25901 1 253 . 2 2 63 63 ASP H H 1 9.401 0.020 . 1 . . . B 63 ASP H . 25901 1 254 . 2 2 63 63 ASP C C 13 175.846 0.3 . 1 . . . B 63 ASP C . 25901 1 255 . 2 2 63 63 ASP CA C 13 54.364 0.3 . 1 . . . B 63 ASP CA . 25901 1 256 . 2 2 63 63 ASP CB C 13 38.574 0.3 . 1 . . . B 63 ASP CB . 25901 1 257 . 2 2 63 63 ASP N N 15 131.810 0.3 . 1 . . . B 63 ASP N . 25901 1 258 . 2 2 64 64 GLY H H 1 8.660 0.020 . 1 . . . B 64 GLY H . 25901 1 259 . 2 2 64 64 GLY C C 13 173.995 0.3 . 1 . . . B 64 GLY C . 25901 1 260 . 2 2 64 64 GLY CA C 13 45.038 0.3 . 1 . . . B 64 GLY CA . 25901 1 261 . 2 2 64 64 GLY N N 15 102.412 0.3 . 1 . . . B 64 GLY N . 25901 1 262 . 2 2 65 65 GLN H H 1 7.893 0.020 . 1 . . . B 65 GLN H . 25901 1 263 . 2 2 65 65 GLN C C 13 173.294 0.3 . 1 . . . B 65 GLN C . 25901 1 264 . 2 2 65 65 GLN CA C 13 52.015 0.3 . 1 . . . B 65 GLN CA . 25901 1 265 . 2 2 65 65 GLN CB C 13 29.841 0.3 . 1 . . . B 65 GLN CB . 25901 1 266 . 2 2 65 65 GLN N N 15 120.724 0.3 . 1 . . . B 65 GLN N . 25901 1 267 . 2 2 67 67 ILE H H 1 7.907 0.020 . 1 . . . B 67 ILE H . 25901 1 268 . 2 2 67 67 ILE C C 13 175.256 0.3 . 1 . . . B 67 ILE C . 25901 1 269 . 2 2 67 67 ILE CA C 13 60.209 0.3 . 1 . . . B 67 ILE CA . 25901 1 270 . 2 2 67 67 ILE CB C 13 39.879 0.3 . 1 . . . B 67 ILE CB . 25901 1 271 . 2 2 67 67 ILE N N 15 120.061 0.3 . 1 . . . B 67 ILE N . 25901 1 272 . 2 2 68 68 ASN H H 1 9.209 0.020 . 1 . . . B 68 ASN H . 25901 1 273 . 2 2 68 68 ASN C C 13 176.026 0.3 . 1 . . . B 68 ASN C . 25901 1 274 . 2 2 68 68 ASN CA C 13 52.037 0.3 . 1 . . . B 68 ASN CA . 25901 1 275 . 2 2 68 68 ASN CB C 13 40.535 0.3 . 1 . . . B 68 ASN CB . 25901 1 276 . 2 2 68 68 ASN N N 15 124.602 0.3 . 1 . . . B 68 ASN N . 25901 1 277 . 2 2 69 69 GLU H H 1 9.059 0.020 . 1 . . . B 69 GLU H . 25901 1 278 . 2 2 69 69 GLU C C 13 175.926 0.3 . 1 . . . B 69 GLU C . 25901 1 279 . 2 2 69 69 GLU CA C 13 59.987 0.3 . 1 . . . B 69 GLU CA . 25901 1 280 . 2 2 69 69 GLU CB C 13 30.385 0.3 . 1 . . . B 69 GLU CB . 25901 1 281 . 2 2 69 69 GLU N N 15 120.207 0.3 . 1 . . . B 69 GLU N . 25901 1 282 . 2 2 70 70 THR H H 1 7.219 0.020 . 1 . . . B 70 THR H . 25901 1 283 . 2 2 70 70 THR C C 13 175.696 0.3 . 1 . . . B 70 THR C . 25901 1 284 . 2 2 70 70 THR CA C 13 60.972 0.3 . 1 . . . B 70 THR CA . 25901 1 285 . 2 2 70 70 THR CB C 13 68.796 0.3 . 1 . . . B 70 THR CB . 25901 1 286 . 2 2 70 70 THR N N 15 101.790 0.3 . 1 . . . B 70 THR N . 25901 1 287 . 2 2 71 71 ASP H H 1 7.530 0.020 . 1 . . . B 71 ASP H . 25901 1 288 . 2 2 71 71 ASP C C 13 174.945 0.3 . 1 . . . B 71 ASP C . 25901 1 289 . 2 2 71 71 ASP CA C 13 55.406 0.3 . 1 . . . B 71 ASP CA . 25901 1 290 . 2 2 71 71 ASP CB C 13 41.903 0.3 . 1 . . . B 71 ASP CB . 25901 1 291 . 2 2 71 71 ASP N N 15 123.115 0.3 . 1 . . . B 71 ASP N . 25901 1 292 . 2 2 72 72 THR H H 1 7.263 0.020 . 1 . . . B 72 THR H . 25901 1 293 . 2 2 72 72 THR C C 13 173.294 0.3 . 1 . . . B 72 THR C . 25901 1 294 . 2 2 72 72 THR CA C 13 57.150 0.3 . 1 . . . B 72 THR CA . 25901 1 295 . 2 2 72 72 THR CB C 13 69.113 0.3 . 1 . . . B 72 THR CB . 25901 1 296 . 2 2 72 72 THR N N 15 108.462 0.3 . 1 . . . B 72 THR N . 25901 1 297 . 2 2 74 74 ALA H H 1 8.369 0.020 . 1 . . . B 74 ALA H . 25901 1 298 . 2 2 74 74 ALA C C 13 181.275 0.3 . 1 . . . B 74 ALA C . 25901 1 299 . 2 2 74 74 ALA CA C 13 54.650 0.3 . 1 . . . B 74 ALA CA . 25901 1 300 . 2 2 74 74 ALA CB C 13 18.214 0.3 . 1 . . . B 74 ALA CB . 25901 1 301 . 2 2 74 74 ALA N N 15 116.773 0.3 . 1 . . . B 74 ALA N . 25901 1 302 . 2 2 75 75 GLN H H 1 7.921 0.020 . 1 . . . B 75 GLN H . 25901 1 303 . 2 2 75 75 GLN C C 13 177.749 0.3 . 1 . . . B 75 GLN C . 25901 1 304 . 2 2 75 75 GLN CA C 13 58.159 0.3 . 1 . . . B 75 GLN CA . 25901 1 305 . 2 2 75 75 GLN CB C 13 28.432 0.3 . 1 . . . B 75 GLN CB . 25901 1 306 . 2 2 75 75 GLN N N 15 120.065 0.3 . 1 . . . B 75 GLN N . 25901 1 307 . 2 2 76 76 LEU H H 1 7.365 0.020 . 1 . . . B 76 LEU H . 25901 1 308 . 2 2 76 76 LEU C C 13 174.745 0.3 . 1 . . . B 76 LEU C . 25901 1 309 . 2 2 76 76 LEU CA C 13 54.431 0.3 . 1 . . . B 76 LEU CA . 25901 1 310 . 2 2 76 76 LEU CB C 13 42.211 0.3 . 1 . . . B 76 LEU CB . 25901 1 311 . 2 2 76 76 LEU N N 15 116.700 0.3 . 1 . . . B 76 LEU N . 25901 1 312 . 2 2 77 77 GLU H H 1 7.705 0.020 . 1 . . . B 77 GLU H . 25901 1 313 . 2 2 77 77 GLU C C 13 176.066 0.3 . 1 . . . B 77 GLU C . 25901 1 314 . 2 2 77 77 GLU CA C 13 57.064 0.3 . 1 . . . B 77 GLU CA . 25901 1 315 . 2 2 77 77 GLU CB C 13 25.733 0.3 . 1 . . . B 77 GLU CB . 25901 1 316 . 2 2 77 77 GLU N N 15 114.281 0.3 . 1 . . . B 77 GLU N . 25901 1 317 . 2 2 78 78 MET H H 1 7.801 0.020 . 1 . . . B 78 MET H . 25901 1 318 . 2 2 78 78 MET C C 13 175.121 0.3 . 1 . . . B 78 MET C . 25901 1 319 . 2 2 78 78 MET CA C 13 56.294 0.3 . 1 . . . B 78 MET CA . 25901 1 320 . 2 2 78 78 MET CB C 13 34.312 0.3 . 1 . . . B 78 MET CB . 25901 1 321 . 2 2 78 78 MET N N 15 116.648 0.3 . 1 . . . B 78 MET N . 25901 1 322 . 2 2 79 79 GLU H H 1 9.306 0.020 . 1 . . . B 79 GLU H . 25901 1 323 . 2 2 79 79 GLU C C 13 174.445 0.3 . 1 . . . B 79 GLU C . 25901 1 324 . 2 2 79 79 GLU CA C 13 53.692 0.3 . 1 . . . B 79 GLU CA . 25901 1 325 . 2 2 79 79 GLU CB C 13 32.620 0.3 . 1 . . . B 79 GLU CB . 25901 1 326 . 2 2 79 79 GLU N N 15 121.820 0.3 . 1 . . . B 79 GLU N . 25901 1 327 . 2 2 80 80 ASP H H 1 8.403 0.020 . 1 . . . B 80 ASP H . 25901 1 328 . 2 2 80 80 ASP C C 13 177.427 0.3 . 1 . . . B 80 ASP C . 25901 1 329 . 2 2 80 80 ASP CA C 13 56.912 0.3 . 1 . . . B 80 ASP CA . 25901 1 330 . 2 2 80 80 ASP CB C 13 42.105 0.3 . 1 . . . B 80 ASP CB . 25901 1 331 . 2 2 80 80 ASP N N 15 117.870 0.3 . 1 . . . B 80 ASP N . 25901 1 332 . 2 2 81 81 GLU H H 1 9.547 0.020 . 1 . . . B 81 GLU H . 25901 1 333 . 2 2 81 81 GLU C C 13 175.486 0.3 . 1 . . . B 81 GLU C . 25901 1 334 . 2 2 81 81 GLU CA C 13 58.094 0.3 . 1 . . . B 81 GLU CA . 25901 1 335 . 2 2 81 81 GLU CB C 13 25.859 0.3 . 1 . . . B 81 GLU CB . 25901 1 336 . 2 2 81 81 GLU N N 15 116.432 0.3 . 1 . . . B 81 GLU N . 25901 1 337 . 2 2 82 82 ASP H H 1 8.052 0.020 . 1 . . . B 82 ASP H . 25901 1 338 . 2 2 82 82 ASP C C 13 174.565 0.3 . 1 . . . B 82 ASP C . 25901 1 339 . 2 2 82 82 ASP CA C 13 55.917 0.3 . 1 . . . B 82 ASP CA . 25901 1 340 . 2 2 82 82 ASP CB C 13 42.034 0.3 . 1 . . . B 82 ASP CB . 25901 1 341 . 2 2 82 82 ASP N N 15 120.771 0.3 . 1 . . . B 82 ASP N . 25901 1 342 . 2 2 83 83 THR H H 1 8.404 0.020 . 1 . . . B 83 THR H . 25901 1 343 . 2 2 83 83 THR C C 13 174.065 0.3 . 1 . . . B 83 THR C . 25901 1 344 . 2 2 83 83 THR CA C 13 62.251 0.3 . 1 . . . B 83 THR CA . 25901 1 345 . 2 2 83 83 THR CB C 13 71.611 0.3 . 1 . . . B 83 THR CB . 25901 1 346 . 2 2 83 83 THR N N 15 113.587 0.3 . 1 . . . B 83 THR N . 25901 1 347 . 2 2 84 84 ILE H H 1 9.468 0.020 . 1 . . . B 84 ILE H . 25901 1 348 . 2 2 84 84 ILE C C 13 173.685 0.3 . 1 . . . B 84 ILE C . 25901 1 349 . 2 2 84 84 ILE CA C 13 60.577 0.3 . 1 . . . B 84 ILE CA . 25901 1 350 . 2 2 84 84 ILE CB C 13 41.029 0.3 . 1 . . . B 84 ILE CB . 25901 1 351 . 2 2 84 84 ILE N N 15 127.562 0.3 . 1 . . . B 84 ILE N . 25901 1 352 . 2 2 85 85 ASP H H 1 8.994 0.020 . 1 . . . B 85 ASP H . 25901 1 353 . 2 2 85 85 ASP C C 13 174.875 0.3 . 1 . . . B 85 ASP C . 25901 1 354 . 2 2 85 85 ASP CA C 13 54.066 0.3 . 1 . . . B 85 ASP CA . 25901 1 355 . 2 2 85 85 ASP CB C 13 44.801 0.3 . 1 . . . B 85 ASP CB . 25901 1 356 . 2 2 85 85 ASP N N 15 126.510 0.3 . 1 . . . B 85 ASP N . 25901 1 357 . 2 2 86 86 VAL H H 1 7.759 0.020 . 1 . . . B 86 VAL H . 25901 1 358 . 2 2 86 86 VAL CA C 13 60.214 0.3 . 1 . . . B 86 VAL CA . 25901 1 359 . 2 2 86 86 VAL CB C 13 34.411 0.3 . 1 . . . B 86 VAL CB . 25901 1 360 . 2 2 86 86 VAL N N 15 118.449 0.3 . 1 . . . B 86 VAL N . 25901 1 361 . 2 2 87 87 PHE H H 1 8.610 0.020 . 1 . . . B 87 PHE H . 25901 1 362 . 2 2 87 87 PHE C C 13 174.075 0.3 . 1 . . . B 87 PHE C . 25901 1 363 . 2 2 87 87 PHE CA C 13 55.942 0.3 . 1 . . . B 87 PHE CA . 25901 1 364 . 2 2 87 87 PHE CB C 13 41.683 0.3 . 1 . . . B 87 PHE CB . 25901 1 365 . 2 2 87 87 PHE N N 15 124.187 0.3 . 1 . . . B 87 PHE N . 25901 1 366 . 2 2 88 88 GLN H H 1 8.604 0.020 . 1 . . . B 88 GLN H . 25901 1 367 . 2 2 88 88 GLN C C 13 175.586 0.3 . 1 . . . B 88 GLN C . 25901 1 368 . 2 2 88 88 GLN CA C 13 55.535 0.3 . 1 . . . B 88 GLN CA . 25901 1 369 . 2 2 88 88 GLN CB C 13 29.781 0.3 . 1 . . . B 88 GLN CB . 25901 1 370 . 2 2 88 88 GLN N N 15 121.406 0.3 . 1 . . . B 88 GLN N . 25901 1 371 . 2 2 89 89 GLN H H 1 8.422 0.020 . 1 . . . B 89 GLN H . 25901 1 372 . 2 2 89 89 GLN C C 13 175.356 0.3 . 1 . . . B 89 GLN C . 25901 1 373 . 2 2 89 89 GLN CA C 13 55.640 0.3 . 1 . . . B 89 GLN CA . 25901 1 374 . 2 2 89 89 GLN CB C 13 29.720 0.3 . 1 . . . B 89 GLN CB . 25901 1 375 . 2 2 89 89 GLN N N 15 123.607 0.3 . 1 . . . B 89 GLN N . 25901 1 376 . 2 2 90 90 GLN H H 1 8.647 0.020 . 1 . . . B 90 GLN H . 25901 1 377 . 2 2 90 90 GLN C C 13 176.106 0.3 . 1 . . . B 90 GLN C . 25901 1 378 . 2 2 90 90 GLN CA C 13 55.519 0.3 . 1 . . . B 90 GLN CA . 25901 1 379 . 2 2 90 90 GLN CB C 13 29.478 0.3 . 1 . . . B 90 GLN CB . 25901 1 380 . 2 2 90 90 GLN N N 15 123.051 0.3 . 1 . . . B 90 GLN N . 25901 1 381 . 2 2 91 91 THR H H 1 8.314 0.020 . 1 . . . B 91 THR H . 25901 1 382 . 2 2 91 91 THR C C 13 174.945 0.3 . 1 . . . B 91 THR C . 25901 1 383 . 2 2 91 91 THR CA C 13 61.682 0.3 . 1 . . . B 91 THR CA . 25901 1 384 . 2 2 91 91 THR CB C 13 69.596 0.3 . 1 . . . B 91 THR CB . 25901 1 385 . 2 2 91 91 THR N N 15 115.507 0.3 . 1 . . . B 91 THR N . 25901 1 386 . 2 2 92 92 GLY H H 1 8.472 0.020 . 1 . . . B 92 GLY H . 25901 1 387 . 2 2 92 92 GLY C C 13 173.595 0.3 . 1 . . . B 92 GLY C . 25901 1 388 . 2 2 92 92 GLY CA C 13 45.006 0.3 . 1 . . . B 92 GLY CA . 25901 1 389 . 2 2 92 92 GLY N N 15 111.794 0.3 . 1 . . . B 92 GLY N . 25901 1 390 . 2 2 93 93 GLY H H 1 7.987 0.020 . 1 . . . B 93 GLY H . 25901 1 391 . 2 2 93 93 GLY C C 13 179.058 0.3 . 1 . . . B 93 GLY C . 25901 1 392 . 2 2 93 93 GLY N N 15 115.128 0.3 . 1 . . . B 93 GLY N . 25901 1 stop_ save_