################################### # 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_Im7*_YY_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Im7*_YY_chemical_shifts _Assigned_chem_shift_list.Entry_ID 7318 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 'Backbone HN, N and C chemical shifts.' _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 1H15N_HSQC 1 $sample_1 isotropic 7318 1 2 HNCO 1 $sample_1 isotropic 7318 1 3 HNCA 1 $sample_1 isotropic 7318 1 4 HNCOCA 1 $sample_1 isotropic 7318 1 5 CBCACONH 1 $sample_1 isotropic 7318 1 7 1H-1H-15N_NOESY-HSQC 2 $sample_2 isotropic 7318 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 2 $NMRView . . 7318 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 . 1 1 9 9 GLU HA H 1 4.270 0.01 . 1 . . . . 2 GLU HA . 7318 1 2 . 1 1 9 9 GLU C C 13 176.183 0.2 . 1 . . . . 2 GLU C . 7318 1 3 . 1 1 9 9 GLU CA C 13 56.241 0.2 . 1 . . . . 2 GLU CA . 7318 1 4 . 1 1 9 9 GLU CB C 13 30.114 0.2 . 1 . . . . 2 GLU CB . 7318 1 5 . 1 1 10 10 LEU H H 1 8.337 0.01 . 1 . . . . 3 LEU HN . 7318 1 6 . 1 1 10 10 LEU C C 13 177.530 0.2 . 1 . . . . 3 LEU C . 7318 1 7 . 1 1 10 10 LEU CA C 13 54.770 0.2 . 1 . . . . 3 LEU CA . 7318 1 8 . 1 1 10 10 LEU CB C 13 42.523 0.2 . 1 . . . . 3 LEU CB . 7318 1 9 . 1 1 10 10 LEU N N 15 124.169 0.1 . 1 . . . . 3 LEU N . 7318 1 10 . 1 1 11 11 LYS H H 1 8.035 0.01 . 1 . . . . 4 LYS HN . 7318 1 11 . 1 1 11 11 LYS C C 13 175.878 0.2 . 1 . . . . 4 LYS C . 7318 1 12 . 1 1 11 11 LYS CA C 13 56.060 0.2 . 1 . . . . 4 LYS CA . 7318 1 13 . 1 1 11 11 LYS CB C 13 32.950 0.2 . 1 . . . . 4 LYS CB . 7318 1 14 . 1 1 11 11 LYS N N 15 121.541 0.1 . 1 . . . . 4 LYS N . 7318 1 15 . 1 1 12 12 ASN H H 1 8.460 0.01 . 1 . . . . 5 ASN HN . 7318 1 16 . 1 1 12 12 ASN C C 13 175.221 0.2 . 1 . . . . 5 ASN C . 7318 1 17 . 1 1 12 12 ASN CA C 13 55.630 0.2 . 1 . . . . 5 ASN CA . 7318 1 18 . 1 1 12 12 ASN CB C 13 39.633 0.2 . 1 . . . . 5 ASN CB . 7318 1 19 . 1 1 12 12 ASN N N 15 116.900 0.1 . 1 . . . . 5 ASN N . 7318 1 20 . 1 1 13 13 SER H H 1 8.231 0.01 . 1 . . . . 6 SER HN . 7318 1 21 . 1 1 13 13 SER CA C 13 56.330 0.2 . 1 . . . . 6 SER CA . 7318 1 22 . 1 1 13 13 SER N N 15 112.083 0.1 . 1 . . . . 6 SER N . 7318 1 23 . 1 1 15 15 SER HA H 1 4.460 0.01 . 1 . . . . 8 SER HA . 7318 1 24 . 1 1 15 15 SER C C 13 174.118 0.2 . 1 . . . . 8 SER C . 7318 1 25 . 1 1 15 15 SER CA C 13 59.738 0.2 . 1 . . . . 8 SER CA . 7318 1 26 . 1 1 15 15 SER CB C 13 63.102 0.2 . 1 . . . . 8 SER CB . 7318 1 27 . 1 1 16 16 ASP H H 1 7.797 0.01 . 1 . . . . 9 ASP HN . 7318 1 28 . 1 1 16 16 ASP C C 13 175.793 0.2 . 1 . . . . 9 ASP C . 7318 1 29 . 1 1 16 16 ASP CA C 13 55.020 0.2 . 1 . . . . 9 ASP CA . 7318 1 30 . 1 1 16 16 ASP CB C 13 42.480 0.2 . 1 . . . . 9 ASP CB . 7318 1 31 . 1 1 16 16 ASP N N 15 118.483 0.1 . 1 . . . . 9 ASP N . 7318 1 32 . 1 1 17 17 TYR H H 1 8.139 0.01 . 1 . . . . 10 TYR HN . 7318 1 33 . 1 1 17 17 TYR C C 13 177.422 0.2 . 1 . . . . 10 TYR C . 7318 1 34 . 1 1 17 17 TYR CA C 13 57.639 0.2 . 1 . . . . 10 TYR CA . 7318 1 35 . 1 1 17 17 TYR N N 15 120.072 0.1 . 1 . . . . 10 TYR N . 7318 1 36 . 1 1 18 18 THR H H 1 8.795 0.01 . 1 . . . . 11 THR HN . 7318 1 37 . 1 1 18 18 THR HA H 1 4.690 0.01 . 1 . . . . 11 THR HA . 7318 1 38 . 1 1 18 18 THR C C 13 175.662 0.2 . 1 . . . . 11 THR C . 7318 1 39 . 1 1 18 18 THR CA C 13 60.632 0.2 . 1 . . . . 11 THR CA . 7318 1 40 . 1 1 18 18 THR CB C 13 70.552 0.2 . 1 . . . . 11 THR CB . 7318 1 41 . 1 1 18 18 THR N N 15 112.243 0.1 . 1 . . . . 11 THR N . 7318 1 42 . 1 1 19 19 GLU H H 1 9.096 0.01 . 1 . . . . 12 GLU HN . 7318 1 43 . 1 1 19 19 GLU C C 13 178.022 0.2 . 1 . . . . 12 GLU C . 7318 1 44 . 1 1 19 19 GLU CA C 13 60.380 0.2 . 1 . . . . 12 GLU CA . 7318 1 45 . 1 1 19 19 GLU CB C 13 29.539 0.2 . 1 . . . . 12 GLU CB . 7318 1 46 . 1 1 19 19 GLU N N 15 122.887 0.1 . 1 . . . . 12 GLU N . 7318 1 47 . 1 1 20 20 ALA H H 1 8.333 0.01 . 1 . . . . 13 ALA HN . 7318 1 48 . 1 1 20 20 ALA C C 13 181.484 0.2 . 1 . . . . 13 ALA C . 7318 1 49 . 1 1 20 20 ALA CA C 13 54.867 0.2 . 1 . . . . 13 ALA CA . 7318 1 50 . 1 1 20 20 ALA CB C 13 18.478 0.2 . 1 . . . . 13 ALA CB . 7318 1 51 . 1 1 20 20 ALA N N 15 118.635 0.1 . 1 . . . . 13 ALA N . 7318 1 52 . 1 1 21 21 GLU H H 1 7.985 0.01 . 1 . . . . 14 GLU HN . 7318 1 53 . 1 1 21 21 GLU HA H 1 4.010 0.01 . 1 . . . . 14 GLU HA . 7318 1 54 . 1 1 21 21 GLU C C 13 179.436 0.2 . 1 . . . . 14 GLU C . 7318 1 55 . 1 1 21 21 GLU CA C 13 58.525 0.2 . 1 . . . . 14 GLU CA . 7318 1 56 . 1 1 21 21 GLU CB C 13 31.125 0.2 . 1 . . . . 14 GLU CB . 7318 1 57 . 1 1 21 21 GLU N N 15 118.844 0.1 . 1 . . . . 14 GLU N . 7318 1 58 . 1 1 22 22 PHE H H 1 8.526 0.01 . 1 . . . . 15 PHE HN . 7318 1 59 . 1 1 22 22 PHE C C 13 176.998 0.2 . 1 . . . . 15 PHE C . 7318 1 60 . 1 1 22 22 PHE CA C 13 61.937 0.2 . 1 . . . . 15 PHE CA . 7318 1 61 . 1 1 22 22 PHE CB C 13 40.088 0.2 . 1 . . . . 15 PHE CB . 7318 1 62 . 1 1 22 22 PHE N N 15 123.545 0.1 . 1 . . . . 15 PHE N . 7318 1 63 . 1 1 23 23 VAL H H 1 8.484 0.01 . 1 . . . . 16 VAL HN . 7318 1 64 . 1 1 23 23 VAL HA H 1 3.330 0.01 . 1 . . . . 16 VAL HA . 7318 1 65 . 1 1 23 23 VAL C C 13 177.598 0.2 . 1 . . . . 16 VAL C . 7318 1 66 . 1 1 23 23 VAL CA C 13 67.199 0.2 . 1 . . . . 16 VAL CA . 7318 1 67 . 1 1 23 23 VAL CB C 13 31.705 0.2 . 1 . . . . 16 VAL CB . 7318 1 68 . 1 1 23 23 VAL N N 15 118.289 0.1 . 1 . . . . 16 VAL N . 7318 1 69 . 1 1 24 24 GLN H H 1 7.581 0.01 . 1 . . . . 17 GLN HN . 7318 1 70 . 1 1 24 24 GLN HA H 1 3.890 0.01 . 1 . . . . 17 GLN HA . 7318 1 71 . 1 1 24 24 GLN C C 13 177.865 0.2 . 1 . . . . 17 GLN C . 7318 1 72 . 1 1 24 24 GLN CA C 13 58.808 0.2 . 1 . . . . 17 GLN CA . 7318 1 73 . 1 1 24 24 GLN CB C 13 28.029 0.2 . 1 . . . . 17 GLN CB . 7318 1 74 . 1 1 24 24 GLN N N 15 117.691 0.1 . 1 . . . . 17 GLN N . 7318 1 75 . 1 1 25 25 LEU H H 1 7.683 0.01 . 1 . . . . 18 LEU HN . 7318 1 76 . 1 1 25 25 LEU HA H 1 4.010 0.01 . 1 . . . . 18 LEU HA . 7318 1 77 . 1 1 25 25 LEU C C 13 178.392 0.2 . 1 . . . . 18 LEU C . 7318 1 78 . 1 1 25 25 LEU CA C 13 58.073 0.2 . 1 . . . . 18 LEU CA . 7318 1 79 . 1 1 25 25 LEU CB C 13 41.246 0.2 . 1 . . . . 18 LEU CB . 7318 1 80 . 1 1 25 25 LEU N N 15 121.467 0.1 . 1 . . . . 18 LEU N . 7318 1 81 . 1 1 26 26 LEU H H 1 7.795 0.01 . 1 . . . . 19 LEU HN . 7318 1 82 . 1 1 26 26 LEU C C 13 179.780 0.2 . 1 . . . . 19 LEU C . 7318 1 83 . 1 1 26 26 LEU CA C 13 57.761 0.2 . 1 . . . . 19 LEU CA . 7318 1 84 . 1 1 26 26 LEU CB C 13 40.983 0.2 . 1 . . . . 19 LEU CB . 7318 1 85 . 1 1 26 26 LEU N N 15 117.491 0.1 . 1 . . . . 19 LEU N . 7318 1 86 . 1 1 27 27 LYS H H 1 8.176 0.01 . 1 . . . . 20 LYS HN . 7318 1 87 . 1 1 27 27 LYS HA H 1 4.180 0.01 . 1 . . . . 20 LYS HA . 7318 1 88 . 1 1 27 27 LYS C C 13 179.497 0.2 . 1 . . . . 20 LYS C . 7318 1 89 . 1 1 27 27 LYS CA C 13 59.583 0.2 . 1 . . . . 20 LYS CA . 7318 1 90 . 1 1 27 27 LYS CB C 13 32.453 0.2 . 1 . . . . 20 LYS CB . 7318 1 91 . 1 1 27 27 LYS N N 15 118.914 0.1 . 1 . . . . 20 LYS N . 7318 1 92 . 1 1 28 28 GLU H H 1 8.127 0.01 . 1 . . . . 21 GLU HN . 7318 1 93 . 1 1 28 28 GLU HA H 1 4.070 0.01 . 1 . . . . 21 GLU HA . 7318 1 94 . 1 1 28 28 GLU C C 13 179.270 0.2 . 1 . . . . 21 GLU C . 7318 1 95 . 1 1 28 28 GLU CA C 13 58.976 0.2 . 1 . . . . 21 GLU CA . 7318 1 96 . 1 1 28 28 GLU CB C 13 29.483 0.2 . 1 . . . . 21 GLU CB . 7318 1 97 . 1 1 28 28 GLU N N 15 120.495 0.1 . 1 . . . . 21 GLU N . 7318 1 98 . 1 1 29 29 ILE H H 1 8.102 0.01 . 1 . . . . 22 ILE HN . 7318 1 99 . 1 1 29 29 ILE C C 13 178.330 0.2 . 1 . . . . 22 ILE C . 7318 1 100 . 1 1 29 29 ILE CA C 13 64.144 0.2 . 1 . . . . 22 ILE CA . 7318 1 101 . 1 1 29 29 ILE CB C 13 37.738 0.2 . 1 . . . . 22 ILE CB . 7318 1 102 . 1 1 29 29 ILE N N 15 119.664 0.1 . 1 . . . . 22 ILE N . 7318 1 103 . 1 1 30 30 GLU H H 1 7.978 0.01 . 1 . . . . 23 GLU HN . 7318 1 104 . 1 1 30 30 GLU HA H 1 4.040 0.01 . 1 . . . . 23 GLU HA . 7318 1 105 . 1 1 30 30 GLU C C 13 178.179 0.2 . 1 . . . . 23 GLU C . 7318 1 106 . 1 1 30 30 GLU CA C 13 58.827 0.2 . 1 . . . . 23 GLU CA . 7318 1 107 . 1 1 30 30 GLU CB C 13 29.789 0.2 . 1 . . . . 23 GLU CB . 7318 1 108 . 1 1 30 30 GLU N N 15 120.490 0.1 . 1 . . . . 23 GLU N . 7318 1 109 . 1 1 31 31 LYS H H 1 7.677 0.01 . 1 . . . . 24 LYS HN . 7318 1 110 . 1 1 31 31 LYS HA H 1 4.130 0.01 . 1 . . . . 24 LYS HA . 7318 1 111 . 1 1 31 31 LYS C C 13 177.878 0.2 . 1 . . . . 24 LYS C . 7318 1 112 . 1 1 31 31 LYS CA C 13 57.887 0.2 . 1 . . . . 24 LYS CA . 7318 1 113 . 1 1 31 31 LYS CB C 13 32.854 0.2 . 1 . . . . 24 LYS CB . 7318 1 114 . 1 1 31 31 LYS N N 15 118.128 0.1 . 1 . . . . 24 LYS N . 7318 1 115 . 1 1 32 32 GLU H H 1 7.933 0.01 . 1 . . . . 25 GLU HN . 7318 1 116 . 1 1 32 32 GLU HA H 1 4.260 0.01 . 1 . . . . 25 GLU HA . 7318 1 117 . 1 1 32 32 GLU C C 13 176.753 0.2 . 1 . . . . 25 GLU C . 7318 1 118 . 1 1 32 32 GLU CA C 13 56.902 0.2 . 1 . . . . 25 GLU CA . 7318 1 119 . 1 1 32 32 GLU CB C 13 29.769 0.2 . 1 . . . . 25 GLU CB . 7318 1 120 . 1 1 32 32 GLU N N 15 117.718 0.1 . 1 . . . . 25 GLU N . 7318 1 121 . 1 1 33 33 ASN H H 1 8.055 0.01 . 1 . . . . 26 ASN HN . 7318 1 122 . 1 1 33 33 ASN HA H 1 4.780 0.01 . 1 . . . . 26 ASN HA . 7318 1 123 . 1 1 33 33 ASN C C 13 175.427 0.2 . 1 . . . . 26 ASN C . 7318 1 124 . 1 1 33 33 ASN CA C 13 53.653 0.2 . 1 . . . . 26 ASN CA . 7318 1 125 . 1 1 33 33 ASN CB C 13 38.929 0.2 . 1 . . . . 26 ASN CB . 7318 1 126 . 1 1 33 33 ASN N N 15 117.471 0.1 . 1 . . . . 26 ASN N . 7318 1 127 . 1 1 34 34 VAL H H 1 7.962 0.01 . 1 . . . . 27 VAL HN . 7318 1 128 . 1 1 34 34 VAL HA H 1 4.080 0.01 . 1 . . . . 27 VAL HA . 7318 1 129 . 1 1 34 34 VAL C C 13 176.027 0.2 . 1 . . . . 27 VAL C . 7318 1 130 . 1 1 34 34 VAL CA C 13 62.973 0.2 . 1 . . . . 27 VAL CA . 7318 1 131 . 1 1 34 34 VAL CB C 13 32.679 0.2 . 1 . . . . 27 VAL CB . 7318 1 132 . 1 1 34 34 VAL N N 15 119.223 0.1 . 1 . . . . 27 VAL N . 7318 1 133 . 1 1 35 35 ALA H H 1 8.272 0.01 . 1 . . . . 28 ALA HN . 7318 1 134 . 1 1 35 35 ALA C C 13 177.303 0.2 . 1 . . . . 28 ALA C . 7318 1 135 . 1 1 35 35 ALA CA C 13 52.370 0.2 . 1 . . . . 28 ALA CA . 7318 1 136 . 1 1 35 35 ALA CB C 13 19.577 0.2 . 1 . . . . 28 ALA CB . 7318 1 137 . 1 1 35 35 ALA N N 15 124.923 0.1 . 1 . . . . 28 ALA N . 7318 1 138 . 1 1 36 36 ALA H H 1 8.175 0.01 . 1 . . . . 29 ALA HN . 7318 1 139 . 1 1 36 36 ALA C C 13 177.948 0.2 . 1 . . . . 29 ALA C . 7318 1 140 . 1 1 36 36 ALA CA C 13 52.720 0.2 . 1 . . . . 29 ALA CA . 7318 1 141 . 1 1 36 36 ALA CB C 13 19.295 0.2 . 1 . . . . 29 ALA CB . 7318 1 142 . 1 1 36 36 ALA N N 15 122.172 0.1 . 1 . . . . 29 ALA N . 7318 1 143 . 1 1 37 37 THR H H 1 7.994 0.01 . 1 . . . . 30 THR HN . 7318 1 144 . 1 1 37 37 THR C C 13 175.077 0.2 . 1 . . . . 30 THR C . 7318 1 145 . 1 1 37 37 THR CA C 13 62.693 0.2 . 1 . . . . 30 THR CA . 7318 1 146 . 1 1 37 37 THR CB C 13 69.167 0.2 . 1 . . . . 30 THR CB . 7318 1 147 . 1 1 37 37 THR N N 15 112.010 0.1 . 1 . . . . 30 THR N . 7318 1 148 . 1 1 38 38 ASP H H 1 8.305 0.01 . 1 . . . . 31 ASP HN . 7318 1 149 . 1 1 38 38 ASP N N 15 121.306 0.1 . 1 . . . . 31 ASP N . 7318 1 150 . 1 1 39 39 ASP C C 13 177.493 0.2 . 1 . . . . 32 ASP C . 7318 1 151 . 1 1 39 39 ASP CA C 13 55.383 0.2 . 1 . . . . 32 ASP CA . 7318 1 152 . 1 1 39 39 ASP CB C 13 40.956 0.2 . 1 . . . . 32 ASP CB . 7318 1 153 . 1 1 40 40 VAL H H 1 7.841 0.01 . 1 . . . . 33 VAL HN . 7318 1 154 . 1 1 40 40 VAL C C 13 177.337 0.2 . 1 . . . . 33 VAL C . 7318 1 155 . 1 1 40 40 VAL CA C 13 65.152 0.2 . 1 . . . . 33 VAL CA . 7318 1 156 . 1 1 40 40 VAL CB C 13 32.002 0.2 . 1 . . . . 33 VAL CB . 7318 1 157 . 1 1 40 40 VAL N N 15 119.882 0.1 . 1 . . . . 33 VAL N . 7318 1 158 . 1 1 41 41 LEU H H 1 8.247 0.01 . 1 . . . . 34 LEU HN . 7318 1 159 . 1 1 41 41 LEU C C 13 178.149 0.2 . 1 . . . . 34 LEU C . 7318 1 160 . 1 1 41 41 LEU CA C 13 57.617 0.2 . 1 . . . . 34 LEU CA . 7318 1 161 . 1 1 41 41 LEU CB C 13 41.237 0.2 . 1 . . . . 34 LEU CB . 7318 1 162 . 1 1 41 41 LEU N N 15 120.649 0.1 . 1 . . . . 34 LEU N . 7318 1 163 . 1 1 42 42 ASP H H 1 7.953 0.01 . 1 . . . . 35 ASP HN . 7318 1 164 . 1 1 42 42 ASP C C 13 178.620 0.2 . 1 . . . . 35 ASP C . 7318 1 165 . 1 1 42 42 ASP CA C 13 57.348 0.2 . 1 . . . . 35 ASP CA . 7318 1 166 . 1 1 42 42 ASP CB C 13 40.763 0.2 . 1 . . . . 35 ASP CB . 7318 1 167 . 1 1 42 42 ASP N N 15 118.330 0.1 . 1 . . . . 35 ASP N . 7318 1 168 . 1 1 43 43 VAL H H 1 7.582 0.01 . 1 . . . . 36 VAL HN . 7318 1 169 . 1 1 43 43 VAL HA H 1 3.860 0.01 . 1 . . . . 36 VAL HA . 7318 1 170 . 1 1 43 43 VAL C C 13 178.585 0.2 . 1 . . . . 36 VAL C . 7318 1 171 . 1 1 43 43 VAL CA C 13 65.323 0.2 . 1 . . . . 36 VAL CA . 7318 1 172 . 1 1 43 43 VAL CB C 13 32.089 0.2 . 1 . . . . 36 VAL CB . 7318 1 173 . 1 1 43 43 VAL N N 15 118.572 0.1 . 1 . . . . 36 VAL N . 7318 1 174 . 1 1 44 44 LEU H H 1 7.923 0.01 . 1 . . . . 37 LEU HN . 7318 1 175 . 1 1 44 44 LEU HA H 1 4.110 0.01 . 1 . . . . 37 LEU HA . 7318 1 176 . 1 1 44 44 LEU C C 13 178.793 0.2 . 1 . . . . 37 LEU C . 7318 1 177 . 1 1 44 44 LEU CA C 13 57.847 0.2 . 1 . . . . 37 LEU CA . 7318 1 178 . 1 1 44 44 LEU CB C 13 42.486 0.2 . 1 . . . . 37 LEU CB . 7318 1 179 . 1 1 44 44 LEU N N 15 120.795 0.1 . 1 . . . . 37 LEU N . 7318 1 180 . 1 1 45 45 LEU H H 1 8.512 0.01 . 1 . . . . 38 LEU HN . 7318 1 181 . 1 1 45 45 LEU CA C 13 57.780 0.2 . 1 . . . . 38 LEU CA . 7318 1 182 . 1 1 45 45 LEU CB C 13 41.530 0.2 . 1 . . . . 38 LEU CB . 7318 1 183 . 1 1 45 45 LEU N N 15 118.626 0.1 . 1 . . . . 38 LEU N . 7318 1 184 . 1 1 52 52 THR C C 13 174.387 0.2 . 1 . . . . 45 THR C . 7318 1 185 . 1 1 52 52 THR CA C 13 61.965 0.2 . 1 . . . . 45 THR CA . 7318 1 186 . 1 1 52 52 THR CB C 13 69.437 0.2 . 1 . . . . 45 THR CB . 7318 1 187 . 1 1 53 53 GLU H H 1 8.102 0.01 . 1 . . . . 46 GLU HN . 7318 1 188 . 1 1 53 53 GLU CA C 13 56.620 0.2 . 1 . . . . 46 GLU CA . 7318 1 189 . 1 1 53 53 GLU CB C 13 30.400 0.2 . 1 . . . . 46 GLU CB . 7318 1 190 . 1 1 53 53 GLU N N 15 121.931 0.1 . 1 . . . . 46 GLU N . 7318 1 191 . 1 1 55 55 PRO HA H 1 4.390 0.01 . 1 . . . . 48 PRO HA . 7318 1 192 . 1 1 55 55 PRO C C 13 177.103 0.2 . 1 . . . . 48 PRO C . 7318 1 193 . 1 1 55 55 PRO CA C 13 63.857 0.2 . 1 . . . . 48 PRO CA . 7318 1 194 . 1 1 55 55 PRO CB C 13 32.100 0.2 . 1 . . . . 48 PRO CB . 7318 1 195 . 1 1 56 56 ASP H H 1 8.857 0.01 . 1 . . . . 49 ASP HN . 7318 1 196 . 1 1 56 56 ASP HA H 1 4.640 0.01 . 1 . . . . 49 ASP HA . 7318 1 197 . 1 1 56 56 ASP C C 13 177.077 0.2 . 1 . . . . 49 ASP C . 7318 1 198 . 1 1 56 56 ASP CA C 13 54.440 0.2 . 1 . . . . 49 ASP CA . 7318 1 199 . 1 1 56 56 ASP CB C 13 41.129 0.2 . 1 . . . . 49 ASP CB . 7318 1 200 . 1 1 56 56 ASP N N 15 120.020 0.1 . 1 . . . . 49 ASP N . 7318 1 201 . 1 1 57 57 GLY H H 1 8.332 0.01 . 1 . . . . 50 GLY HN . 7318 1 202 . 1 1 57 57 GLY C C 13 174.848 0.2 . 1 . . . . 50 GLY C . 7318 1 203 . 1 1 57 57 GLY CA C 13 45.415 0.2 . 1 . . . . 50 GLY CA . 7318 1 204 . 1 1 57 57 GLY N N 15 109.390 0.1 . 1 . . . . 50 GLY N . 7318 1 205 . 1 1 58 58 GLY H H 1 8.388 0.01 . 1 . . . . 51 GLY HN . 7318 1 206 . 1 1 58 58 GLY N N 15 108.887 0.1 . 1 . . . . 51 GLY N . 7318 1 207 . 1 1 60 60 GLY HA2 H 1 3.960 0.01 . 2 . . . . 53 GLY HA2 . 7318 1 208 . 1 1 60 60 GLY C C 13 174.635 0.2 . 1 . . . . 53 GLY C . 7318 1 209 . 1 1 60 60 GLY CA C 13 45.371 0.2 . 1 . . . . 53 GLY CA . 7318 1 210 . 1 1 61 61 GLY H H 1 8.254 0.01 . 1 . . . . 54 GLY HN . 7318 1 211 . 1 1 61 61 GLY HA2 H 1 3.880 0.01 . 2 . . . . 54 GLY HA2 . 7318 1 212 . 1 1 61 61 GLY C C 13 173.094 0.2 . 1 . . . . 54 GLY C . 7318 1 213 . 1 1 61 61 GLY CA C 13 45.076 0.2 . 1 . . . . 54 GLY CA . 7318 1 214 . 1 1 61 61 GLY N N 15 108.422 0.1 . 1 . . . . 54 GLY N . 7318 1 215 . 1 1 62 62 TYR H H 1 7.934 0.01 . 1 . . . . 55 TYR HN . 7318 1 216 . 1 1 62 62 TYR C C 13 174.701 0.2 . 1 . . . . 55 TYR C . 7318 1 217 . 1 1 62 62 TYR CA C 13 57.779 0.2 . 1 . . . . 55 TYR CA . 7318 1 218 . 1 1 62 62 TYR CB C 13 39.082 0.2 . 1 . . . . 55 TYR CB . 7318 1 219 . 1 1 62 62 TYR N N 15 122.299 0.1 . 1 . . . . 55 TYR N . 7318 1 220 . 1 1 63 63 TYR H H 1 8.096 0.01 . 1 . . . . 56 TYR HN . 7318 1 221 . 1 1 63 63 TYR CA C 13 55.390 0.2 . 1 . . . . 56 TYR CA . 7318 1 222 . 1 1 63 63 TYR CB C 13 38.860 0.2 . 1 . . . . 56 TYR CB . 7318 1 223 . 1 1 63 63 TYR N N 15 124.108 0.1 . 1 . . . . 56 TYR N . 7318 1 224 . 1 1 64 64 PRO HA H 1 4.270 0.01 . 1 . . . . 57 PRO HA . 7318 1 225 . 1 1 64 64 PRO C C 13 176.683 0.2 . 1 . . . . 57 PRO C . 7318 1 226 . 1 1 64 64 PRO CA C 13 62.914 0.2 . 1 . . . . 57 PRO CA . 7318 1 227 . 1 1 64 64 PRO CB C 13 31.956 0.2 . 1 . . . . 57 PRO CB . 7318 1 228 . 1 1 65 65 SER H H 1 8.375 0.01 . 1 . . . . 58 SER HN . 7318 1 229 . 1 1 65 65 SER HA H 1 4.380 0.01 . 1 . . . . 58 SER HA . 7318 1 230 . 1 1 65 65 SER C C 13 174.735 0.2 . 1 . . . . 58 SER C . 7318 1 231 . 1 1 65 65 SER CA C 13 58.355 0.2 . 1 . . . . 58 SER CA . 7318 1 232 . 1 1 65 65 SER CB C 13 63.900 0.2 . 1 . . . . 58 SER CB . 7318 1 233 . 1 1 65 65 SER N N 15 116.274 0.1 . 1 . . . . 58 SER N . 7318 1 234 . 1 1 66 66 ASP H H 1 8.418 0.01 . 1 . . . . 59 ASP HN . 7318 1 235 . 1 1 66 66 ASP HA H 1 4.560 0.01 . 1 . . . . 59 ASP HA . 7318 1 236 . 1 1 66 66 ASP C C 13 176.073 0.2 . 1 . . . . 59 ASP C . 7318 1 237 . 1 1 66 66 ASP CA C 13 54.795 0.2 . 1 . . . . 59 ASP CA . 7318 1 238 . 1 1 66 66 ASP CB C 13 40.958 0.2 . 1 . . . . 59 ASP CB . 7318 1 239 . 1 1 66 66 ASP N N 15 121.838 0.1 . 1 . . . . 59 ASP N . 7318 1 240 . 1 1 67 67 ASN H H 1 8.286 0.01 . 1 . . . . 60 ASN HN . 7318 1 241 . 1 1 67 67 ASN HA H 1 4.710 0.01 . 1 . . . . 60 ASN HA . 7318 1 242 . 1 1 67 67 ASN C C 13 174.822 0.2 . 1 . . . . 60 ASN C . 7318 1 243 . 1 1 67 67 ASN CA C 13 53.112 0.2 . 1 . . . . 60 ASN CA . 7318 1 244 . 1 1 67 67 ASN CB C 13 38.815 0.2 . 1 . . . . 60 ASN CB . 7318 1 245 . 1 1 67 67 ASN N N 15 117.913 0.1 . 1 . . . . 60 ASN N . 7318 1 246 . 1 1 68 68 ARG H H 1 8.006 0.01 . 1 . . . . 61 ARG HN . 7318 1 247 . 1 1 68 68 ARG HA H 1 4.240 0.01 . 1 . . . . 61 ARG HA . 7318 1 248 . 1 1 68 68 ARG C C 13 175.695 0.2 . 1 . . . . 61 ARG C . 7318 1 249 . 1 1 68 68 ARG CA C 13 56.353 0.2 . 1 . . . . 61 ARG CA . 7318 1 250 . 1 1 68 68 ARG CB C 13 31.039 0.2 . 1 . . . . 61 ARG CB . 7318 1 251 . 1 1 68 68 ARG N N 15 121.531 0.1 . 1 . . . . 61 ARG N . 7318 1 252 . 1 1 69 69 ASP H H 1 8.425 0.01 . 1 . . . . 62 ASP HN . 7318 1 253 . 1 1 69 69 ASP C C 13 175.256 0.2 . 1 . . . . 62 ASP C . 7318 1 254 . 1 1 69 69 ASP CA C 13 53.789 0.2 . 1 . . . . 62 ASP CA . 7318 1 255 . 1 1 69 69 ASP CB C 13 41.216 0.2 . 1 . . . . 62 ASP CB . 7318 1 256 . 1 1 69 69 ASP N N 15 122.613 0.1 . 1 . . . . 62 ASP N . 7318 1 257 . 1 1 70 70 ASP H H 1 8.157 0.01 . 1 . . . . 63 ASP HN . 7318 1 258 . 1 1 70 70 ASP HA H 1 4.650 0.01 . 1 . . . . 63 ASP HA . 7318 1 259 . 1 1 70 70 ASP C C 13 175.924 0.2 . 1 . . . . 63 ASP C . 7318 1 260 . 1 1 70 70 ASP CA C 13 53.464 0.2 . 1 . . . . 63 ASP CA . 7318 1 261 . 1 1 70 70 ASP CB C 13 40.623 0.2 . 1 . . . . 63 ASP CB . 7318 1 262 . 1 1 70 70 ASP N N 15 122.542 0.1 . 1 . . . . 63 ASP N . 7318 1 263 . 1 1 71 71 SER H H 1 8.262 0.01 . 1 . . . . 64 SER HN . 7318 1 264 . 1 1 71 71 SER CA C 13 57.030 0.2 . 1 . . . . 64 SER CA . 7318 1 265 . 1 1 71 71 SER CB C 13 63.500 0.2 . 1 . . . . 64 SER CB . 7318 1 266 . 1 1 71 71 SER N N 15 116.361 0.1 . 1 . . . . 64 SER N . 7318 1 267 . 1 1 72 72 PRO C C 13 177.470 0.2 . 1 . . . . 65 PRO C . 7318 1 268 . 1 1 73 73 GLU H H 1 9.130 0.01 . 1 . . . . 66 GLU HN . 7318 1 269 . 1 1 73 73 GLU C C 13 179.470 0.2 . 1 . . . . 66 GLU C . 7318 1 270 . 1 1 73 73 GLU CA C 13 60.433 0.2 . 1 . . . . 66 GLU CA . 7318 1 271 . 1 1 73 73 GLU CB C 13 28.564 0.2 . 1 . . . . 66 GLU CB . 7318 1 272 . 1 1 73 73 GLU N N 15 115.290 0.1 . 1 . . . . 66 GLU N . 7318 1 273 . 1 1 74 74 GLY H H 1 8.179 0.01 . 1 . . . . 67 GLY HN . 7318 1 274 . 1 1 74 74 GLY C C 13 176.788 0.2 . 1 . . . . 67 GLY C . 7318 1 275 . 1 1 74 74 GLY CA C 13 46.728 0.2 . 1 . . . . 67 GLY CA . 7318 1 276 . 1 1 74 74 GLY N N 15 110.880 0.1 . 1 . . . . 67 GLY N . 7318 1 277 . 1 1 75 75 ILE H H 1 8.470 0.01 . 1 . . . . 68 ILE HN . 7318 1 278 . 1 1 75 75 ILE C C 13 178.308 0.2 . 1 . . . . 68 ILE C . 7318 1 279 . 1 1 75 75 ILE CA C 13 64.494 0.2 . 1 . . . . 68 ILE CA . 7318 1 280 . 1 1 75 75 ILE N N 15 124.314 0.1 . 1 . . . . 68 ILE N . 7318 1 281 . 1 1 76 76 VAL H H 1 8.074 0.01 . 1 . . . . 69 VAL HN . 7318 1 282 . 1 1 76 76 VAL HA H 1 3.630 0.01 . 1 . . . . 69 VAL HA . 7318 1 283 . 1 1 76 76 VAL C C 13 177.287 0.2 . 1 . . . . 69 VAL C . 7318 1 284 . 1 1 76 76 VAL CA C 13 67.676 0.2 . 1 . . . . 69 VAL CA . 7318 1 285 . 1 1 76 76 VAL CB C 13 31.270 0.2 . 1 . . . . 69 VAL CB . 7318 1 286 . 1 1 76 76 VAL N N 15 119.101 0.1 . 1 . . . . 69 VAL N . 7318 1 287 . 1 1 77 77 LYS H H 1 7.734 0.01 . 1 . . . . 70 LYS HN . 7318 1 288 . 1 1 77 77 LYS HA H 1 4.020 0.01 . 1 . . . . 70 LYS HA . 7318 1 289 . 1 1 77 77 LYS C C 13 178.585 0.2 . 1 . . . . 70 LYS C . 7318 1 290 . 1 1 77 77 LYS CA C 13 60.149 0.2 . 1 . . . . 70 LYS CA . 7318 1 291 . 1 1 77 77 LYS CB C 13 32.679 0.2 . 1 . . . . 70 LYS CB . 7318 1 292 . 1 1 77 77 LYS N N 15 119.926 0.1 . 1 . . . . 70 LYS N . 7318 1 293 . 1 1 78 78 GLU H H 1 7.861 0.01 . 1 . . . . 71 GLU HN . 7318 1 294 . 1 1 78 78 GLU C C 13 179.915 0.2 . 1 . . . . 71 GLU C . 7318 1 295 . 1 1 78 78 GLU CA C 13 59.413 0.2 . 1 . . . . 71 GLU CA . 7318 1 296 . 1 1 78 78 GLU CB C 13 29.510 0.2 . 1 . . . . 71 GLU CB . 7318 1 297 . 1 1 78 78 GLU N N 15 119.015 0.1 . 1 . . . . 71 GLU N . 7318 1 298 . 1 1 79 79 ILE H H 1 8.684 0.01 . 1 . . . . 72 ILE HN . 7318 1 299 . 1 1 79 79 ILE C C 13 177.997 0.2 . 1 . . . . 72 ILE C . 7318 1 300 . 1 1 79 79 ILE CA C 13 65.513 0.2 . 1 . . . . 72 ILE CA . 7318 1 301 . 1 1 79 79 ILE N N 15 120.905 0.1 . 1 . . . . 72 ILE N . 7318 1 302 . 1 1 80 80 LYS H H 1 8.769 0.01 . 1 . . . . 73 LYS HN . 7318 1 303 . 1 1 80 80 LYS C C 13 180.179 0.2 . 1 . . . . 73 LYS C . 7318 1 304 . 1 1 80 80 LYS CA C 13 60.404 0.2 . 1 . . . . 73 LYS CA . 7318 1 305 . 1 1 80 80 LYS CB C 13 32.845 0.2 . 1 . . . . 73 LYS CB . 7318 1 306 . 1 1 80 80 LYS N N 15 120.103 0.1 . 1 . . . . 73 LYS N . 7318 1 307 . 1 1 81 81 GLU H H 1 8.216 0.01 . 1 . . . . 74 GLU HN . 7318 1 308 . 1 1 81 81 GLU HA H 1 4.120 0.01 . 1 . . . . 74 GLU HA . 7318 1 309 . 1 1 81 81 GLU C C 13 178.943 0.2 . 1 . . . . 74 GLU C . 7318 1 310 . 1 1 81 81 GLU CA C 13 59.232 0.2 . 1 . . . . 74 GLU CA . 7318 1 311 . 1 1 81 81 GLU CB C 13 29.543 0.2 . 1 . . . . 74 GLU CB . 7318 1 312 . 1 1 81 81 GLU N N 15 119.492 0.1 . 1 . . . . 74 GLU N . 7318 1 313 . 1 1 82 82 TRP H H 1 8.561 0.01 . 1 . . . . 75 TRP HN . 7318 1 314 . 1 1 82 82 TRP C C 13 179.276 0.2 . 1 . . . . 75 TRP C . 7318 1 315 . 1 1 82 82 TRP CA C 13 61.130 0.2 . 1 . . . . 75 TRP CA . 7318 1 316 . 1 1 82 82 TRP N N 15 123.126 0.1 . 1 . . . . 75 TRP N . 7318 1 317 . 1 1 83 83 ARG H H 1 8.830 0.01 . 1 . . . . 76 ARG HN . 7318 1 318 . 1 1 83 83 ARG C C 13 178.322 0.2 . 1 . . . . 76 ARG C . 7318 1 319 . 1 1 83 83 ARG CA C 13 58.670 0.2 . 1 . . . . 76 ARG CA . 7318 1 320 . 1 1 83 83 ARG N N 15 118.700 0.1 . 1 . . . . 76 ARG N . 7318 1 321 . 1 1 84 84 ALA H H 1 7.769 0.01 . 1 . . . . 77 ALA HN . 7318 1 322 . 1 1 84 84 ALA CA C 13 54.950 0.2 . 1 . . . . 77 ALA CA . 7318 1 323 . 1 1 84 84 ALA CB C 13 18.030 0.2 . 1 . . . . 77 ALA CB . 7318 1 324 . 1 1 84 84 ALA N N 15 120.736 0.1 . 1 . . . . 77 ALA N . 7318 1 325 . 1 1 85 85 ALA H H 1 8.090 0.01 . 1 . . . . 78 ALA HN . 7318 1 326 . 1 1 85 85 ALA C C 13 178.490 0.2 . 1 . . . . 78 ALA C . 7318 1 327 . 1 1 85 85 ALA CA C 13 54.200 0.2 . 1 . . . . 78 ALA CA . 7318 1 328 . 1 1 85 85 ALA CB C 13 18.510 0.2 . 1 . . . . 78 ALA CB . 7318 1 329 . 1 1 85 85 ALA N N 15 121.100 0.1 . 1 . . . . 78 ALA N . 7318 1 330 . 1 1 86 86 ASN H H 1 7.200 0.01 . 1 . . . . 79 ASN HN . 7318 1 331 . 1 1 86 86 ASN C C 13 174.591 0.2 . 1 . . . . 79 ASN C . 7318 1 332 . 1 1 86 86 ASN CA C 13 53.150 0.2 . 1 . . . . 79 ASN CA . 7318 1 333 . 1 1 86 86 ASN CB C 13 39.830 0.2 . 1 . . . . 79 ASN CB . 7318 1 334 . 1 1 86 86 ASN N N 15 113.650 0.1 . 1 . . . . 79 ASN N . 7318 1 335 . 1 1 87 87 GLY H H 1 7.747 0.01 . 1 . . . . 80 GLY HN . 7318 1 336 . 1 1 87 87 GLY HA2 H 1 3.860 0.01 . 2 . . . . 80 GLY HA2 . 7318 1 337 . 1 1 87 87 GLY C C 13 174.438 0.2 . 1 . . . . 80 GLY C . 7318 1 338 . 1 1 87 87 GLY CA C 13 46.783 0.2 . 1 . . . . 80 GLY CA . 7318 1 339 . 1 1 87 87 GLY N N 15 108.827 0.1 . 1 . . . . 80 GLY N . 7318 1 340 . 1 1 88 88 LYS H H 1 8.027 0.01 . 1 . . . . 81 LYS HN . 7318 1 341 . 1 1 88 88 LYS CA C 13 52.500 0.2 . 1 . . . . 81 LYS CA . 7318 1 342 . 1 1 88 88 LYS CB C 13 32.520 0.2 . 1 . . . . 81 LYS CB . 7318 1 343 . 1 1 88 88 LYS N N 15 119.493 0.1 . 1 . . . . 81 LYS N . 7318 1 344 . 1 1 89 89 PRO HA H 1 4.310 0.01 . 1 . . . . 82 PRO HA . 7318 1 345 . 1 1 89 89 PRO C C 13 176.670 0.2 . 1 . . . . 82 PRO C . 7318 1 346 . 1 1 89 89 PRO CA C 13 62.875 0.2 . 1 . . . . 82 PRO CA . 7318 1 347 . 1 1 89 89 PRO CB C 13 32.315 0.2 . 1 . . . . 82 PRO CB . 7318 1 348 . 1 1 90 90 GLY H H 1 8.306 0.01 . 1 . . . . 83 GLY HN . 7318 1 349 . 1 1 90 90 GLY C C 13 173.952 0.2 . 1 . . . . 83 GLY C . 7318 1 350 . 1 1 90 90 GLY CA C 13 43.493 0.2 . 1 . . . . 83 GLY CA . 7318 1 351 . 1 1 90 90 GLY N N 15 109.905 0.1 . 1 . . . . 83 GLY N . 7318 1 352 . 1 1 91 91 PHE H H 1 8.117 0.01 . 1 . . . . 84 PHE HN . 7318 1 353 . 1 1 91 91 PHE C C 13 176.388 0.2 . 1 . . . . 84 PHE C . 7318 1 354 . 1 1 91 91 PHE CA C 13 59.404 0.2 . 1 . . . . 84 PHE CA . 7318 1 355 . 1 1 91 91 PHE CB C 13 39.817 0.2 . 1 . . . . 84 PHE CB . 7318 1 356 . 1 1 91 91 PHE N N 15 119.325 0.1 . 1 . . . . 84 PHE N . 7318 1 357 . 1 1 92 92 LYS H H 1 8.460 0.01 . 1 . . . . 85 LYS HN . 7318 1 358 . 1 1 92 92 LYS HA H 1 4.180 0.01 . 1 . . . . 85 LYS HA . 7318 1 359 . 1 1 92 92 LYS C C 13 176.568 0.2 . 1 . . . . 85 LYS C . 7318 1 360 . 1 1 92 92 LYS CA C 13 57.059 0.2 . 1 . . . . 85 LYS CA . 7318 1 361 . 1 1 92 92 LYS CB C 13 32.905 0.2 . 1 . . . . 85 LYS CB . 7318 1 362 . 1 1 92 92 LYS N N 15 123.913 0.1 . 1 . . . . 85 LYS N . 7318 1 363 . 1 1 93 93 GLN H H 1 8.647 0.01 . 1 . . . . 86 GLN HN . 7318 1 364 . 1 1 93 93 GLN HA H 1 4.300 0.01 . 1 . . . . 86 GLN HA . 7318 1 365 . 1 1 93 93 GLN C C 13 175.458 0.2 . 1 . . . . 86 GLN C . 7318 1 366 . 1 1 93 93 GLN CA C 13 56.238 0.2 . 1 . . . . 86 GLN CA . 7318 1 367 . 1 1 93 93 GLN CB C 13 29.693 0.2 . 1 . . . . 86 GLN CB . 7318 1 368 . 1 1 93 93 GLN N N 15 124.332 0.1 . 1 . . . . 86 GLN N . 7318 1 369 . 1 1 94 94 GLY H H 1 8.056 0.01 . 1 . . . . 87 GLY HN . 7318 1 370 . 1 1 94 94 GLY CA C 13 46.220 0.2 . 1 . . . . 87 GLY CA . 7318 1 371 . 1 1 94 94 GLY N N 15 116.869 0.1 . 1 . . . . 87 GLY N . 7318 1 stop_ save_