################################### # 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 27742 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27742 1 2 '3D CBCA(CO)NH' . . . 27742 1 3 '3D HNCACB' . . . 27742 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 10 10 PRO CA C 13 63.118 0.000 . . . . . . . 10 PRO CA . 27742 1 2 . 1 . 1 10 10 PRO CB C 13 28.472 0.000 . . . . . . . 10 PRO CB . 27742 1 3 . 1 . 1 11 11 VAL H H 1 7.543 0.000 . . . . . . . 11 VAL HN . 27742 1 4 . 1 . 1 11 11 VAL CA C 13 64.297 0.071 . . . . . . . 11 VAL CA . 27742 1 5 . 1 . 1 11 11 VAL CB C 13 28.730 0.000 . . . . . . . 11 VAL CB . 27742 1 6 . 1 . 1 11 11 VAL N N 15 121.516 0.000 . . . . . . . 11 VAL N . 27742 1 7 . 1 . 1 12 12 VAL H H 1 7.571 0.000 . . . . . . . 12 VAL HN . 27742 1 8 . 1 . 1 12 12 VAL CA C 13 56.750 0.000 . . . . . . . 12 VAL CA . 27742 1 9 . 1 . 1 12 12 VAL CB C 13 29.435 0.000 . . . . . . . 12 VAL CB . 27742 1 10 . 1 . 1 12 12 VAL N N 15 118.703 0.000 . . . . . . . 12 VAL N . 27742 1 11 . 1 . 1 13 13 LYS H H 1 7.302 0.000 . . . . . . . 13 LYS HN . 27742 1 12 . 1 . 1 13 13 LYS CA C 13 55.269 0.000 . . . . . . . 13 LYS CA . 27742 1 13 . 1 . 1 13 13 LYS CB C 13 29.469 0.114 . . . . . . . 13 LYS CB . 27742 1 14 . 1 . 1 13 13 LYS N N 15 117.585 0.000 . . . . . . . 13 LYS N . 27742 1 15 . 1 . 1 14 14 ARG H H 1 7.997 0.000 . . . . . . . 14 ARG HN . 27742 1 16 . 1 . 1 14 14 ARG CA C 13 53.789 0.000 . . . . . . . 14 ARG CA . 27742 1 17 . 1 . 1 14 14 ARG CB C 13 27.522 0.116 . . . . . . . 14 ARG CB . 27742 1 18 . 1 . 1 14 14 ARG N N 15 122.950 0.000 . . . . . . . 14 ARG N . 27742 1 19 . 1 . 1 15 15 LEU H H 1 8.253 0.000 . . . . . . . 15 LEU HN . 27742 1 20 . 1 . 1 15 15 LEU CA C 13 53.005 0.123 . . . . . . . 15 LEU CA . 27742 1 21 . 1 . 1 15 15 LEU CB C 13 38.540 0.000 . . . . . . . 15 LEU CB . 27742 1 22 . 1 . 1 15 15 LEU N N 15 124.132 0.000 . . . . . . . 15 LEU N . 27742 1 23 . 1 . 1 16 16 LEU H H 1 7.971 0.000 . . . . . . . 16 LEU HN . 27742 1 24 . 1 . 1 16 16 LEU CA C 13 51.559 0.037 . . . . . . . 16 LEU CA . 27742 1 25 . 1 . 1 16 16 LEU CB C 13 37.873 0.000 . . . . . . . 16 LEU CB . 27742 1 26 . 1 . 1 16 16 LEU N N 15 119.547 0.000 . . . . . . . 16 LEU N . 27742 1 27 . 1 . 1 17 17 GLY H H 1 8.285 0.000 . . . . . . . 17 GLY HN . 27742 1 28 . 1 . 1 17 17 GLY CA C 13 42.844 0.000 . . . . . . . 17 GLY CA . 27742 1 29 . 1 . 1 17 17 GLY N N 15 110.828 0.000 . . . . . . . 17 GLY N . 27742 1 30 . 1 . 1 18 18 TRP H H 1 8.202 0.000 . . . . . . . 18 TRP HN . 27742 1 31 . 1 . 1 18 18 TRP CA C 13 53.881 0.166 . . . . . . . 18 TRP CA . 27742 1 32 . 1 . 1 18 18 TRP CB C 13 26.980 0.101 . . . . . . . 18 TRP CB . 27742 1 33 . 1 . 1 18 18 TRP N N 15 121.235 0.000 . . . . . . . 18 TRP N . 27742 1 34 . 1 . 1 19 19 LYS H H 1 8.017 0.000 . . . . . . . 19 LYS HN . 27742 1 35 . 1 . 1 19 19 LYS CA C 13 54.715 0.002 . . . . . . . 19 LYS CA . 27742 1 36 . 1 . 1 19 19 LYS CB C 13 29.882 0.000 . . . . . . . 19 LYS CB . 27742 1 37 . 1 . 1 19 19 LYS N N 15 122.922 0.000 . . . . . . . 19 LYS N . 27742 1 38 . 1 . 1 20 20 LYS H H 1 8.367 0.000 . . . . . . . 20 LYS HN . 27742 1 39 . 1 . 1 20 20 LYS CA C 13 51.165 0.000 . . . . . . . 20 LYS CA . 27742 1 40 . 1 . 1 20 20 LYS CB C 13 30.343 0.000 . . . . . . . 20 LYS CB . 27742 1 41 . 1 . 1 20 20 LYS N N 15 125.032 0.000 . . . . . . . 20 LYS N . 27742 1 42 . 1 . 1 21 21 SER H H 1 8.429 0.000 . . . . . . . 21 SER HN . 27742 1 43 . 1 . 1 21 21 SER CA C 13 54.973 0.000 . . . . . . . 21 SER CA . 27742 1 44 . 1 . 1 21 21 SER CB C 13 61.756 0.034 . . . . . . . 21 SER CB . 27742 1 45 . 1 . 1 21 21 SER N N 15 118.721 0.000 . . . . . . . 21 SER N . 27742 1 46 . 1 . 1 22 22 ALA H H 1 8.723 0.000 . . . . . . . 22 ALA HN . 27742 1 47 . 1 . 1 22 22 ALA CA C 13 49.907 0.100 . . . . . . . 22 ALA CA . 27742 1 48 . 1 . 1 22 22 ALA CB C 13 16.110 0.000 . . . . . . . 22 ALA CB . 27742 1 49 . 1 . 1 22 22 ALA N N 15 128.107 0.000 . . . . . . . 22 ALA N . 27742 1 50 . 1 . 1 23 23 GLY H H 1 8.155 0.000 . . . . . . . 23 GLY HN . 27742 1 51 . 1 . 1 23 23 GLY CA C 13 42.643 0.000 . . . . . . . 23 GLY CA . 27742 1 52 . 1 . 1 23 23 GLY N N 15 108.859 0.000 . . . . . . . 23 GLY N . 27742 1 53 . 1 . 1 24 24 GLY H H 1 8.126 0.000 . . . . . . . 24 GLY HN . 27742 1 54 . 1 . 1 24 24 GLY CA C 13 42.662 0.080 . . . . . . . 24 GLY CA . 27742 1 55 . 1 . 1 24 24 GLY N N 15 110.265 0.000 . . . . . . . 24 GLY N . 27742 1 56 . 1 . 1 25 25 SER H H 1 8.232 0.000 . . . . . . . 25 SER HN . 27742 1 57 . 1 . 1 25 25 SER CA C 13 55.972 0.000 . . . . . . . 25 SER CA . 27742 1 58 . 1 . 1 25 25 SER CB C 13 61.311 0.000 . . . . . . . 25 SER CB . 27742 1 59 . 1 . 1 25 25 SER N N 15 116.946 0.000 . . . . . . . 25 SER N . 27742 1 60 . 1 . 1 26 26 GLY H H 1 8.384 0.000 . . . . . . . 26 GLY HN . 27742 1 61 . 1 . 1 26 26 GLY CA C 13 42.088 0.185 . . . . . . . 26 GLY CA . 27742 1 62 . 1 . 1 26 26 GLY N N 15 111.970 0.000 . . . . . . . 26 GLY N . 27742 1 63 . 1 . 1 27 27 GLY H H 1 8.098 0.000 . . . . . . . 27 GLY HN . 27742 1 64 . 1 . 1 27 27 GLY CA C 13 42.310 0.137 . . . . . . . 27 GLY CA . 27742 1 65 . 1 . 1 27 27 GLY N N 15 109.791 0.000 . . . . . . . 27 GLY N . 27742 1 66 . 1 . 1 28 28 ALA H H 1 8.117 0.000 . . . . . . . 28 ALA HN . 27742 1 67 . 1 . 1 28 28 ALA CA C 13 49.583 0.208 . . . . . . . 28 ALA CA . 27742 1 68 . 1 . 1 28 28 ALA CB C 13 16.065 0.070 . . . . . . . 28 ALA CB . 27742 1 69 . 1 . 1 28 28 ALA N N 15 124.891 0.000 . . . . . . . 28 ALA N . 27742 1 70 . 1 . 1 29 29 GLY H H 1 8.279 0.000 . . . . . . . 29 GLY HN . 27742 1 71 . 1 . 1 29 29 GLY CA C 13 42.520 0.000 . . . . . . . 29 GLY CA . 27742 1 72 . 1 . 1 29 29 GLY N N 15 109.111 0.000 . . . . . . . 29 GLY N . 27742 1 73 . 1 . 1 30 30 GLY H H 1 8.137 0.000 . . . . . . . 30 GLY HN . 27742 1 74 . 1 . 1 30 30 GLY N N 15 109.595 0.000 . . . . . . . 30 GLY N . 27742 1 75 . 1 . 1 31 31 GLY H H 1 8.064 0.000 . . . . . . . 31 GLY HN . 27742 1 76 . 1 . 1 31 31 GLY CA C 13 42.643 0.000 . . . . . . . 31 GLY CA . 27742 1 77 . 1 . 1 31 31 GLY N N 15 109.421 0.000 . . . . . . . 31 GLY N . 27742 1 78 . 1 . 1 32 32 GLU H H 1 8.265 0.000 . . . . . . . 32 GLU HN . 27742 1 79 . 1 . 1 32 32 GLU CA C 13 53.863 0.000 . . . . . . . 32 GLU CA . 27742 1 80 . 1 . 1 32 32 GLU CB C 13 26.992 0.000 . . . . . . . 32 GLU CB . 27742 1 81 . 1 . 1 32 32 GLU N N 15 121.767 0.000 . . . . . . . 32 GLU N . 27742 1 82 . 1 . 1 33 33 GLN H H 1 8.318 0.000 . . . . . . . 33 GLN HN . 27742 1 83 . 1 . 1 33 33 GLN CA C 13 53.863 0.000 . . . . . . . 33 GLN CA . 27742 1 84 . 1 . 1 33 33 GLN CB C 13 26.178 0.000 . . . . . . . 33 GLN CB . 27742 1 85 . 1 . 1 33 33 GLN N N 15 122.922 0.000 . . . . . . . 33 GLN N . 27742 1 86 . 1 . 1 34 34 ASN H H 1 8.334 0.000 . . . . . . . 34 ASN HN . 27742 1 87 . 1 . 1 34 34 ASN CA C 13 51.290 0.000 . . . . . . . 34 ASN CA . 27742 1 88 . 1 . 1 34 34 ASN CB C 13 35.949 0.000 . . . . . . . 34 ASN CB . 27742 1 89 . 1 . 1 34 34 ASN N N 15 120.732 0.000 . . . . . . . 34 ASN N . 27742 1 90 . 1 . 1 35 35 GLY H H 1 8.319 0.000 . . . . . . . 35 GLY HN . 27742 1 91 . 1 . 1 35 35 GLY CA C 13 43.499 0.000 . . . . . . . 35 GLY CA . 27742 1 92 . 1 . 1 35 35 GLY N N 15 110.476 0.000 . . . . . . . 35 GLY N . 27742 1 93 . 1 . 1 36 36 GLN H H 1 8.088 0.000 . . . . . . . 36 GLN HN . 27742 1 94 . 1 . 1 36 36 GLN CA C 13 54.659 0.000 . . . . . . . 36 GLN CA . 27742 1 95 . 1 . 1 36 36 GLN CB C 13 26.030 0.000 . . . . . . . 36 GLN CB . 27742 1 96 . 1 . 1 36 36 GLN N N 15 120.876 0.000 . . . . . . . 36 GLN N . 27742 1 97 . 1 . 1 37 37 GLU H H 1 8.177 0.000 . . . . . . . 37 GLU HN . 27742 1 98 . 1 . 1 37 37 GLU CA C 13 53.048 0.000 . . . . . . . 37 GLU CA . 27742 1 99 . 1 . 1 37 37 GLU CB C 13 26.349 0.000 . . . . . . . 37 GLU CB . 27742 1 100 . 1 . 1 37 37 GLU N N 15 122.241 0.000 . . . . . . . 37 GLU N . 27742 1 101 . 1 . 1 38 38 GLU H H 1 8.249 0.000 . . . . . . . 38 GLU HN . 27742 1 102 . 1 . 1 38 38 GLU CA C 13 54.370 0.000 . . . . . . . 38 GLU CA . 27742 1 103 . 1 . 1 38 38 GLU CB C 13 26.696 0.000 . . . . . . . 38 GLU CB . 27742 1 104 . 1 . 1 38 38 GLU N N 15 123.179 0.000 . . . . . . . 38 GLU N . 27742 1 105 . 1 . 1 39 39 LYS H H 1 8.316 0.000 . . . . . . . 39 LYS HN . 27742 1 106 . 1 . 1 39 39 LYS CA C 13 53.514 0.188 . . . . . . . 39 LYS CA . 27742 1 107 . 1 . 1 39 39 LYS CB C 13 26.178 0.000 . . . . . . . 39 LYS CB . 27742 1 108 . 1 . 1 39 39 LYS N N 15 121.824 0.000 . . . . . . . 39 LYS N . 27742 1 109 . 1 . 1 40 40 TRP H H 1 8.363 0.000 . . . . . . . 40 TRP HN . 27742 1 110 . 1 . 1 40 40 TRP CA C 13 54.132 0.121 . . . . . . . 40 TRP CA . 27742 1 111 . 1 . 1 40 40 TRP CB C 13 26.622 0.000 . . . . . . . 40 TRP CB . 27742 1 112 . 1 . 1 40 40 TRP N N 15 122.613 0.000 . . . . . . . 40 TRP N . 27742 1 113 . 1 . 1 41 41 CYS H H 1 8.023 0.000 . . . . . . . 41 CYS HN . 27742 1 114 . 1 . 1 41 41 CYS CA C 13 53.593 0.322 . . . . . . . 41 CYS CA . 27742 1 115 . 1 . 1 41 41 CYS CB C 13 27.502 0.000 . . . . . . . 41 CYS CB . 27742 1 116 . 1 . 1 41 41 CYS N N 15 123.204 0.000 . . . . . . . 41 CYS N . 27742 1 117 . 1 . 1 42 42 GLU H H 1 8.209 0.000 . . . . . . . 42 GLU HN . 27742 1 118 . 1 . 1 42 42 GLU CA C 13 53.839 0.000 . . . . . . . 42 GLU CA . 27742 1 119 . 1 . 1 42 42 GLU CB C 13 26.887 0.000 . . . . . . . 42 GLU CB . 27742 1 120 . 1 . 1 42 42 GLU N N 15 120.391 0.000 . . . . . . . 42 GLU N . 27742 1 121 . 1 . 1 43 43 LYS H H 1 7.962 0.000 . . . . . . . 43 LYS HN . 27742 1 122 . 1 . 1 43 43 LYS CA C 13 53.301 0.000 . . . . . . . 43 LYS CA . 27742 1 123 . 1 . 1 43 43 LYS CB C 13 29.620 0.068 . . . . . . . 43 LYS CB . 27742 1 124 . 1 . 1 43 43 LYS N N 15 122.978 0.000 . . . . . . . 43 LYS N . 27742 1 125 . 1 . 1 44 44 ALA H H 1 7.997 0.000 . . . . . . . 44 ALA HN . 27742 1 126 . 1 . 1 44 44 ALA CA C 13 49.781 0.158 . . . . . . . 44 ALA CA . 27742 1 127 . 1 . 1 44 44 ALA CB C 13 16.111 0.296 . . . . . . . 44 ALA CB . 27742 1 128 . 1 . 1 44 44 ALA N N 15 125.763 0.000 . . . . . . . 44 ALA N . 27742 1 129 . 1 . 1 45 45 VAL H H 1 8.518 0.000 . . . . . . . 45 VAL HN . 27742 1 130 . 1 . 1 45 45 VAL CA C 13 53.301 0.000 . . . . . . . 45 VAL CA . 27742 1 131 . 1 . 1 45 45 VAL CB C 13 30.650 0.000 . . . . . . . 45 VAL CB . 27742 1 132 . 1 . 1 45 45 VAL N N 15 120.391 0.000 . . . . . . . 45 VAL N . 27742 1 133 . 1 . 1 46 46 LYS H H 1 7.899 0.000 . . . . . . . 46 LYS HN . 27742 1 134 . 1 . 1 46 46 LYS CA C 13 53.685 0.000 . . . . . . . 46 LYS CA . 27742 1 135 . 1 . 1 46 46 LYS CB C 13 29.882 0.000 . . . . . . . 46 LYS CB . 27742 1 136 . 1 . 1 46 46 LYS N N 15 123.548 0.000 . . . . . . . 46 LYS N . 27742 1 137 . 1 . 1 47 47 SER H H 1 8.085 0.000 . . . . . . . 47 SER HN . 27742 1 138 . 1 . 1 47 47 SER CA C 13 54.914 0.000 . . . . . . . 47 SER CA . 27742 1 139 . 1 . 1 47 47 SER CB C 13 61.056 0.000 . . . . . . . 47 SER CB . 27742 1 140 . 1 . 1 47 47 SER N N 15 118.168 0.000 . . . . . . . 47 SER N . 27742 1 141 . 1 . 1 48 48 LEU H H 1 8.134 0.000 . . . . . . . 48 LEU HN . 27742 1 142 . 1 . 1 48 48 LEU CA C 13 52.994 0.000 . . . . . . . 48 LEU CA . 27742 1 143 . 1 . 1 48 48 LEU CB C 13 38.866 0.000 . . . . . . . 48 LEU CB . 27742 1 144 . 1 . 1 48 48 LEU N N 15 122.641 0.000 . . . . . . . 48 LEU N . 27742 1 145 . 1 . 1 51 51 LYS CA C 13 53.531 0.000 . . . . . . . 51 LYS CA . 27742 1 146 . 1 . 1 51 51 LYS CB C 13 26.427 0.000 . . . . . . . 51 LYS CB . 27742 1 147 . 1 . 1 52 52 LEU H H 1 7.966 0.000 . . . . . . . 52 LEU HN . 27742 1 148 . 1 . 1 52 52 LEU CA C 13 52.456 0.000 . . . . . . . 52 LEU CA . 27742 1 149 . 1 . 1 52 52 LEU CB C 13 38.233 0.017 . . . . . . . 52 LEU CB . 27742 1 150 . 1 . 1 52 52 LEU N N 15 126.750 0.000 . . . . . . . 52 LEU N . 27742 1 151 . 1 . 1 53 53 LYS H H 1 7.928 0.000 . . . . . . . 53 LYS HN . 27742 1 152 . 1 . 1 53 53 LYS CA C 13 53.608 0.000 . . . . . . . 53 LYS CA . 27742 1 153 . 1 . 1 53 53 LYS CB C 13 27.118 0.000 . . . . . . . 53 LYS CB . 27742 1 154 . 1 . 1 53 53 LYS N N 15 121.169 0.000 . . . . . . . 53 LYS N . 27742 1 155 . 1 . 1 55 55 THR CA C 13 58.896 0.000 . . . . . . . 55 THR CA . 27742 1 156 . 1 . 1 55 55 THR CB C 13 67.187 0.000 . . . . . . . 55 THR CB . 27742 1 157 . 1 . 1 56 56 GLY H H 1 8.286 0.000 . . . . . . . 56 GLY HN . 27742 1 158 . 1 . 1 56 56 GLY CA C 13 42.576 0.000 . . . . . . . 56 GLY CA . 27742 1 159 . 1 . 1 56 56 GLY N N 15 112.262 0.000 . . . . . . . 56 GLY N . 27742 1 160 . 1 . 1 57 57 ARG H H 1 8.075 0.000 . . . . . . . 57 ARG HN . 27742 1 161 . 1 . 1 57 57 ARG CA C 13 53.341 0.235 . . . . . . . 57 ARG CA . 27742 1 162 . 1 . 1 57 57 ARG CB C 13 27.417 0.067 . . . . . . . 57 ARG CB . 27742 1 163 . 1 . 1 57 57 ARG N N 15 121.516 0.000 . . . . . . . 57 ARG N . 27742 1 164 . 1 . 1 58 58 LEU H H 1 7.588 0.000 . . . . . . . 58 LEU HN . 27742 1 165 . 1 . 1 58 58 LEU CA C 13 55.067 0.000 . . . . . . . 58 LEU CA . 27742 1 166 . 1 . 1 58 58 LEU CB C 13 38.558 0.000 . . . . . . . 58 LEU CB . 27742 1 167 . 1 . 1 58 58 LEU N N 15 123.204 0.000 . . . . . . . 58 LEU N . 27742 1 168 . 1 . 1 59 59 ASP H H 1 8.217 0.000 . . . . . . . 59 ASP HN . 27742 1 169 . 1 . 1 59 59 ASP CA C 13 54.935 0.252 . . . . . . . 59 ASP CA . 27742 1 170 . 1 . 1 59 59 ASP CB C 13 36.300 0.104 . . . . . . . 59 ASP CB . 27742 1 171 . 1 . 1 59 59 ASP N N 15 118.798 0.000 . . . . . . . 59 ASP N . 27742 1 172 . 1 . 1 60 60 GLU H H 1 7.485 0.000 . . . . . . . 60 GLU HN . 27742 1 173 . 1 . 1 60 60 GLU CA C 13 55.912 0.000 . . . . . . . 60 GLU CA . 27742 1 174 . 1 . 1 60 60 GLU CB C 13 26.147 0.000 . . . . . . . 60 GLU CB . 27742 1 175 . 1 . 1 60 60 GLU N N 15 123.251 0.000 . . . . . . . 60 GLU N . 27742 1 176 . 1 . 1 61 61 LEU H H 1 7.278 0.000 . . . . . . . 61 LEU HN . 27742 1 177 . 1 . 1 61 61 LEU CA C 13 54.799 0.039 . . . . . . . 61 LEU CA . 27742 1 178 . 1 . 1 61 61 LEU CB C 13 36.886 0.060 . . . . . . . 61 LEU CB . 27742 1 179 . 1 . 1 61 61 LEU N N 15 119.601 0.000 . . . . . . . 61 LEU N . 27742 1 180 . 1 . 1 62 62 GLU H H 1 7.550 0.000 . . . . . . . 62 GLU HN . 27742 1 181 . 1 . 1 62 62 GLU CA C 13 56.296 0.000 . . . . . . . 62 GLU CA . 27742 1 182 . 1 . 1 62 62 GLU CB C 13 26.580 0.000 . . . . . . . 62 GLU CB . 27742 1 183 . 1 . 1 62 62 GLU N N 15 127.111 0.000 . . . . . . . 62 GLU N . 27742 1 184 . 1 . 1 63 63 LYS H H 1 7.574 0.000 . . . . . . . 63 LYS HN . 27742 1 185 . 1 . 1 63 63 LYS CA C 13 56.987 0.000 . . . . . . . 63 LYS CA . 27742 1 186 . 1 . 1 63 63 LYS CB C 13 29.188 0.094 . . . . . . . 63 LYS CB . 27742 1 187 . 1 . 1 63 63 LYS N N 15 119.547 0.000 . . . . . . . 63 LYS N . 27742 1 188 . 1 . 1 64 64 ALA H H 1 8.280 0.000 . . . . . . . 64 ALA HN . 27742 1 189 . 1 . 1 64 64 ALA CA C 13 53.450 0.000 . . . . . . . 64 ALA CA . 27742 1 190 . 1 . 1 64 64 ALA CB C 13 14.368 0.008 . . . . . . . 64 ALA CB . 27742 1 191 . 1 . 1 64 64 ALA N N 15 125.763 0.000 . . . . . . . 64 ALA N . 27742 1 192 . 1 . 1 65 65 ILE H H 1 7.645 0.000 . . . . . . . 65 ILE HN . 27742 1 193 . 1 . 1 65 65 ILE CA C 13 60.218 0.000 . . . . . . . 65 ILE CA . 27742 1 194 . 1 . 1 65 65 ILE CB C 13 34.430 0.000 . . . . . . . 65 ILE CB . 27742 1 195 . 1 . 1 65 65 ILE N N 15 113.725 0.000 . . . . . . . 65 ILE N . 27742 1 196 . 1 . 1 66 66 THR H H 1 7.509 0.000 . . . . . . . 66 THR HN . 27742 1 197 . 1 . 1 66 66 THR CA C 13 61.290 0.000 . . . . . . . 66 THR CA . 27742 1 198 . 1 . 1 66 66 THR CB C 13 66.930 0.032 . . . . . . . 66 THR CB . 27742 1 199 . 1 . 1 66 66 THR N N 15 108.852 0.000 . . . . . . . 66 THR N . 27742 1 200 . 1 . 1 67 67 THR H H 1 7.069 0.000 . . . . . . . 67 THR HN . 27742 1 201 . 1 . 1 67 67 THR CA C 13 58.942 0.000 . . . . . . . 67 THR CA . 27742 1 202 . 1 . 1 67 67 THR CB C 13 67.915 0.111 . . . . . . . 67 THR CB . 27742 1 203 . 1 . 1 67 67 THR N N 15 109.892 0.000 . . . . . . . 67 THR N . 27742 1 204 . 1 . 1 68 68 GLN H H 1 7.048 0.000 . . . . . . . 68 GLN HN . 27742 1 205 . 1 . 1 68 68 GLN CA C 13 53.224 0.000 . . . . . . . 68 GLN CA . 27742 1 206 . 1 . 1 68 68 GLN CB C 13 22.127 0.000 . . . . . . . 68 GLN CB . 27742 1 207 . 1 . 1 68 68 GLN N N 15 119.212 0.000 . . . . . . . 68 GLN N . 27742 1 208 . 1 . 1 69 69 ASN H H 1 6.355 0.000 . . . . . . . 69 ASN HN . 27742 1 209 . 1 . 1 69 69 ASN CA C 13 49.539 0.000 . . . . . . . 69 ASN CA . 27742 1 210 . 1 . 1 69 69 ASN CB C 13 37.100 0.000 . . . . . . . 69 ASN CB . 27742 1 211 . 1 . 1 69 69 ASN N N 15 115.328 0.000 . . . . . . . 69 ASN N . 27742 1 212 . 1 . 1 70 70 CYS H H 1 8.877 0.000 . . . . . . . 70 CYS HN . 27742 1 213 . 1 . 1 70 70 CYS CA C 13 56.997 0.000 . . . . . . . 70 CYS CA . 27742 1 214 . 1 . 1 70 70 CYS CB C 13 25.472 0.000 . . . . . . . 70 CYS CB . 27742 1 215 . 1 . 1 70 70 CYS N N 15 126.127 0.000 . . . . . . . 70 CYS N . 27742 1 216 . 1 . 1 71 71 ASN H H 1 8.271 0.000 . . . . . . . 71 ASN HN . 27742 1 217 . 1 . 1 71 71 ASN CA C 13 51.305 0.000 . . . . . . . 71 ASN CA . 27742 1 218 . 1 . 1 71 71 ASN CB C 13 34.795 0.000 . . . . . . . 71 ASN CB . 27742 1 219 . 1 . 1 71 71 ASN N N 15 120.672 0.000 . . . . . . . 71 ASN N . 27742 1 220 . 1 . 1 72 72 THR H H 1 6.846 0.000 . . . . . . . 72 THR HN . 27742 1 221 . 1 . 1 72 72 THR CA C 13 57.513 0.000 . . . . . . . 72 THR CA . 27742 1 222 . 1 . 1 72 72 THR CB C 13 68.972 0.000 . . . . . . . 72 THR CB . 27742 1 223 . 1 . 1 72 72 THR N N 15 109.034 0.000 . . . . . . . 72 THR N . 27742 1 224 . 1 . 1 73 73 LYS H H 1 9.333 0.000 . . . . . . . 73 LYS HN . 27742 1 225 . 1 . 1 73 73 LYS CA C 13 53.144 0.000 . . . . . . . 73 LYS CA . 27742 1 226 . 1 . 1 73 73 LYS CB C 13 30.518 0.126 . . . . . . . 73 LYS CB . 27742 1 227 . 1 . 1 73 73 LYS N N 15 122.509 0.000 . . . . . . . 73 LYS N . 27742 1 228 . 1 . 1 74 74 CYS H H 1 8.013 0.000 . . . . . . . 74 CYS HN . 27742 1 229 . 1 . 1 74 74 CYS CA C 13 60.764 0.000 . . . . . . . 74 CYS CA . 27742 1 230 . 1 . 1 74 74 CYS CB C 13 29.019 0.000 . . . . . . . 74 CYS CB . 27742 1 231 . 1 . 1 74 74 CYS N N 15 117.314 0.000 . . . . . . . 74 CYS N . 27742 1 232 . 1 . 1 75 75 VAL H H 1 8.012 0.000 . . . . . . . 75 VAL HN . 27742 1 233 . 1 . 1 75 75 VAL CA C 13 59.114 0.262 . . . . . . . 75 VAL CA . 27742 1 234 . 1 . 1 75 75 VAL CB C 13 30.132 0.424 . . . . . . . 75 VAL CB . 27742 1 235 . 1 . 1 75 75 VAL N N 15 124.587 0.000 . . . . . . . 75 VAL N . 27742 1 236 . 1 . 1 76 76 THR H H 1 7.450 0.000 . . . . . . . 76 THR HN . 27742 1 237 . 1 . 1 76 76 THR CA C 13 56.934 0.087 . . . . . . . 76 THR CA . 27742 1 238 . 1 . 1 76 76 THR CB C 13 67.797 0.216 . . . . . . . 76 THR CB . 27742 1 239 . 1 . 1 76 76 THR N N 15 115.637 0.000 . . . . . . . 76 THR N . 27742 1 240 . 1 . 1 77 77 ILE H H 1 8.021 0.000 . . . . . . . 77 ILE HN . 27742 1 241 . 1 . 1 77 77 ILE CA C 13 55.307 0.000 . . . . . . . 77 ILE CA . 27742 1 242 . 1 . 1 77 77 ILE CB C 13 36.490 0.000 . . . . . . . 77 ILE CB . 27742 1 243 . 1 . 1 77 77 ILE N N 15 113.306 0.000 . . . . . . . 77 ILE N . 27742 1 244 . 1 . 1 78 78 PRO CA C 13 60.366 0.000 . . . . . . . 78 PRO CA . 27742 1 245 . 1 . 1 78 78 PRO CB C 13 29.120 0.000 . . . . . . . 78 PRO CB . 27742 1 246 . 1 . 1 79 79 SER H H 1 8.282 0.000 . . . . . . . 79 SER HN . 27742 1 247 . 1 . 1 79 79 SER CA C 13 55.522 0.000 . . . . . . . 79 SER CA . 27742 1 248 . 1 . 1 79 79 SER CB C 13 61.265 0.000 . . . . . . . 79 SER CB . 27742 1 249 . 1 . 1 79 79 SER N N 15 117.320 0.000 . . . . . . . 79 SER N . 27742 1 250 . 1 . 1 80 80 THR H H 1 7.891 0.000 . . . . . . . 80 THR HN . 27742 1 251 . 1 . 1 80 80 THR CA C 13 56.863 0.000 . . . . . . . 80 THR CA . 27742 1 252 . 1 . 1 80 80 THR CB C 13 66.817 0.000 . . . . . . . 80 THR CB . 27742 1 253 . 1 . 1 80 80 THR N N 15 117.859 0.000 . . . . . . . 80 THR N . 27742 1 254 . 1 . 1 84 84 ILE CA C 13 58.753 0.000 . . . . . . . 84 ILE CA . 27742 1 255 . 1 . 1 84 84 ILE CB C 13 35.026 0.000 . . . . . . . 84 ILE CB . 27742 1 256 . 1 . 1 85 85 TRP H H 1 7.846 0.000 . . . . . . . 85 TRP HN . 27742 1 257 . 1 . 1 85 85 TRP CA C 13 54.980 0.066 . . . . . . . 85 TRP CA . 27742 1 258 . 1 . 1 85 85 TRP CB C 13 26.854 0.043 . . . . . . . 85 TRP CB . 27742 1 259 . 1 . 1 85 85 TRP N N 15 125.172 0.000 . . . . . . . 85 TRP N . 27742 1 260 . 1 . 1 86 86 GLY H H 1 7.904 0.000 . . . . . . . 86 GLY HN . 27742 1 261 . 1 . 1 86 86 GLY CA C 13 42.894 0.000 . . . . . . . 86 GLY CA . 27742 1 262 . 1 . 1 86 86 GLY N N 15 111.137 0.000 . . . . . . . 86 GLY N . 27742 1 263 . 1 . 1 87 87 LEU H H 1 7.733 0.000 . . . . . . . 87 LEU HN . 27742 1 264 . 1 . 1 87 87 LEU CA C 13 52.586 0.000 . . . . . . . 87 LEU CA . 27742 1 265 . 1 . 1 87 87 LEU CB C 13 39.124 0.062 . . . . . . . 87 LEU CB . 27742 1 266 . 1 . 1 87 87 LEU N N 15 122.387 0.000 . . . . . . . 87 LEU N . 27742 1 267 . 1 . 1 88 88 SER H H 1 8.096 0.000 . . . . . . . 88 SER HN . 27742 1 268 . 1 . 1 88 88 SER CA C 13 55.589 0.000 . . . . . . . 88 SER CA . 27742 1 269 . 1 . 1 88 88 SER CB C 13 61.156 0.000 . . . . . . . 88 SER CB . 27742 1 270 . 1 . 1 88 88 SER N N 15 117.314 0.000 . . . . . . . 88 SER N . 27742 1 271 . 1 . 1 89 89 THR H H 1 7.950 0.000 . . . . . . . 89 THR HN . 27742 1 272 . 1 . 1 89 89 THR CA C 13 56.847 0.000 . . . . . . . 89 THR CA . 27742 1 273 . 1 . 1 89 89 THR CB C 13 66.665 0.000 . . . . . . . 89 THR CB . 27742 1 274 . 1 . 1 89 89 THR N N 15 119.012 0.000 . . . . . . . 89 THR N . 27742 1 275 . 1 . 1 90 90 PRO CA C 13 60.552 0.000 . . . . . . . 90 PRO CA . 27742 1 276 . 1 . 1 90 90 PRO CB C 13 28.990 0.000 . . . . . . . 90 PRO CB . 27742 1 277 . 1 . 1 91 91 ASN H H 1 8.272 0.000 . . . . . . . 91 ASN HN . 27742 1 278 . 1 . 1 91 91 ASN CA C 13 51.162 0.000 . . . . . . . 91 ASN CA . 27742 1 279 . 1 . 1 91 91 ASN CB C 13 36.064 0.000 . . . . . . . 91 ASN CB . 27742 1 280 . 1 . 1 91 91 ASN N N 15 119.624 0.000 . . . . . . . 91 ASN N . 27742 1 281 . 1 . 1 92 92 THR H H 1 7.762 0.000 . . . . . . . 92 THR HN . 27742 1 282 . 1 . 1 92 92 THR CA C 13 58.875 0.277 . . . . . . . 92 THR CA . 27742 1 283 . 1 . 1 92 92 THR CB C 13 67.039 0.038 . . . . . . . 92 THR CB . 27742 1 284 . 1 . 1 92 92 THR N N 15 114.345 0.000 . . . . . . . 92 THR N . 27742 1 285 . 1 . 1 93 93 ILE H H 1 7.879 0.000 . . . . . . . 93 ILE HN . 27742 1 286 . 1 . 1 93 93 ILE CA C 13 59.278 0.000 . . . . . . . 93 ILE CA . 27742 1 287 . 1 . 1 93 93 ILE CB C 13 35.302 0.000 . . . . . . . 93 ILE CB . 27742 1 288 . 1 . 1 93 93 ILE N N 15 122.657 0.000 . . . . . . . 93 ILE N . 27742 1 289 . 1 . 1 94 94 ASP H H 1 7.880 0.000 . . . . . . . 94 ASP HN . 27742 1 290 . 1 . 1 94 94 ASP CA C 13 52.687 0.077 . . . . . . . 94 ASP CA . 27742 1 291 . 1 . 1 94 94 ASP CB C 13 39.058 0.115 . . . . . . . 94 ASP CB . 27742 1 292 . 1 . 1 94 94 ASP N N 15 122.657 0.000 . . . . . . . 94 ASP N . 27742 1 293 . 1 . 1 95 95 GLN H H 1 8.134 0.000 . . . . . . . 95 GLN HN . 27742 1 294 . 1 . 1 95 95 GLN CA C 13 55.528 0.000 . . . . . . . 95 GLN CA . 27742 1 295 . 1 . 1 95 95 GLN CB C 13 29.498 0.000 . . . . . . . 95 GLN CB . 27742 1 296 . 1 . 1 95 95 GLN N N 15 123.766 0.000 . . . . . . . 95 GLN N . 27742 1 297 . 1 . 1 96 96 TRP CA C 13 60.969 0.000 . . . . . . . 96 TRP CA . 27742 1 298 . 1 . 1 96 96 TRP CB C 13 28.472 0.000 . . . . . . . 96 TRP CB . 27742 1 299 . 1 . 1 97 97 ASP H H 1 8.248 0.000 . . . . . . . 97 ASP HN . 27742 1 300 . 1 . 1 97 97 ASP CA C 13 51.050 0.000 . . . . . . . 97 ASP CA . 27742 1 301 . 1 . 1 97 97 ASP CB C 13 35.948 0.000 . . . . . . . 97 ASP CB . 27742 1 302 . 1 . 1 97 97 ASP N N 15 119.095 0.000 . . . . . . . 97 ASP N . 27742 1 303 . 1 . 1 98 98 THR H H 1 7.863 0.000 . . . . . . . 98 THR HN . 27742 1 304 . 1 . 1 98 98 THR CA C 13 59.132 0.062 . . . . . . . 98 THR CA . 27742 1 305 . 1 . 1 98 98 THR CB C 13 66.850 0.000 . . . . . . . 98 THR CB . 27742 1 306 . 1 . 1 98 98 THR N N 15 115.146 0.000 . . . . . . . 98 THR N . 27742 1 307 . 1 . 1 99 99 THR H H 1 7.930 0.000 . . . . . . . 99 THR HN . 27742 1 308 . 1 . 1 99 99 THR CA C 13 59.096 0.097 . . . . . . . 99 THR CA . 27742 1 309 . 1 . 1 99 99 THR CB C 13 67.326 0.213 . . . . . . . 99 THR CB . 27742 1 310 . 1 . 1 99 99 THR N N 15 116.571 0.000 . . . . . . . 99 THR N . 27742 1 311 . 1 . 1 100 100 GLY H H 1 7.753 0.000 . . . . . . . 100 GLY HN . 27742 1 312 . 1 . 1 100 100 GLY CA C 13 43.858 0.000 . . . . . . . 100 GLY CA . 27742 1 313 . 1 . 1 100 100 GLY N N 15 110.546 0.000 . . . . . . . 100 GLY N . 27742 1 314 . 1 . 1 101 101 LEU CA C 13 51.919 0.000 . . . . . . . 101 LEU CA . 27742 1 315 . 1 . 1 101 101 LEU CB C 13 37.804 0.000 . . . . . . . 101 LEU CB . 27742 1 316 . 1 . 1 102 102 TYR H H 1 7.704 0.000 . . . . . . . 102 TYR HN . 27742 1 317 . 1 . 1 102 102 TYR CA C 13 54.899 0.000 . . . . . . . 102 TYR CA . 27742 1 318 . 1 . 1 102 102 TYR CB C 13 36.763 0.000 . . . . . . . 102 TYR CB . 27742 1 319 . 1 . 1 102 102 TYR N N 15 119.762 0.000 . . . . . . . 102 TYR N . 27742 1 320 . 1 . 1 103 103 SER H H 1 7.933 0.000 . . . . . . . 103 SER HN . 27742 1 321 . 1 . 1 103 103 SER CA C 13 55.713 0.000 . . . . . . . 103 SER CA . 27742 1 322 . 1 . 1 103 103 SER CB C 13 61.043 0.000 . . . . . . . 103 SER CB . 27742 1 323 . 1 . 1 103 103 SER N N 15 117.859 0.000 . . . . . . . 103 SER N . 27742 1 324 . 1 . 1 105 105 SER CA C 13 56.065 0.000 . . . . . . . 105 SER CA . 27742 1 325 . 1 . 1 105 105 SER CB C 13 61.133 0.000 . . . . . . . 105 SER CB . 27742 1 326 . 1 . 1 106 106 GLU H H 1 8.189 0.000 . . . . . . . 106 GLU HN . 27742 1 327 . 1 . 1 106 106 GLU CA C 13 54.529 0.076 . . . . . . . 106 GLU CA . 27742 1 328 . 1 . 1 106 106 GLU CB C 13 26.811 0.000 . . . . . . . 106 GLU CB . 27742 1 329 . 1 . 1 106 106 GLU N N 15 123.794 0.000 . . . . . . . 106 GLU N . 27742 1 330 . 1 . 1 107 107 GLN H H 1 8.305 0.000 . . . . . . . 107 GLN HN . 27742 1 331 . 1 . 1 107 107 GLN CA C 13 53.301 0.000 . . . . . . . 107 GLN CA . 27742 1 332 . 1 . 1 107 107 GLN CB C 13 26.273 0.000 . . . . . . . 107 GLN CB . 27742 1 333 . 1 . 1 107 107 GLN N N 15 121.235 0.000 . . . . . . . 107 GLN N . 27742 1 334 . 1 . 1 108 108 THR H H 1 8.091 0.000 . . . . . . . 108 THR HN . 27742 1 335 . 1 . 1 108 108 THR CA C 13 58.753 0.000 . . . . . . . 108 THR CA . 27742 1 336 . 1 . 1 108 108 THR CB C 13 67.115 0.038 . . . . . . . 108 THR CB . 27742 1 337 . 1 . 1 108 108 THR N N 15 119.709 0.000 . . . . . . . 108 THR N . 27742 1 338 . 1 . 1 109 109 ARG H H 1 8.107 0.000 . . . . . . . 109 ARG HN . 27742 1 339 . 1 . 1 109 109 ARG CA C 13 55.758 0.000 . . . . . . . 109 ARG CA . 27742 1 340 . 1 . 1 109 109 ARG CB C 13 35.579 0.000 . . . . . . . 109 ARG CB . 27742 1 341 . 1 . 1 109 109 ARG N N 15 126.888 0.000 . . . . . . . 109 ARG N . 27742 1 342 . 1 . 1 110 110 SER H H 1 7.799 0.000 . . . . . . . 110 SER HN . 27742 1 343 . 1 . 1 110 110 SER CA C 13 54.990 0.000 . . . . . . . 110 SER CA . 27742 1 344 . 1 . 1 110 110 SER CB C 13 61.594 0.000 . . . . . . . 110 SER CB . 27742 1 345 . 1 . 1 110 110 SER N N 15 117.255 0.000 . . . . . . . 110 SER N . 27742 1 346 . 1 . 1 111 111 LEU H H 1 8.295 0.000 . . . . . . . 111 LEU HN . 27742 1 347 . 1 . 1 111 111 LEU CA C 13 53.122 0.000 . . . . . . . 111 LEU CA . 27742 1 348 . 1 . 1 111 111 LEU CB C 13 38.111 0.238 . . . . . . . 111 LEU CB . 27742 1 349 . 1 . 1 111 111 LEU N N 15 124.891 0.000 . . . . . . . 111 LEU N . 27742 1 350 . 1 . 1 112 112 ASP H H 1 8.128 0.000 . . . . . . . 112 ASP HN . 27742 1 351 . 1 . 1 112 112 ASP CA C 13 51.494 0.000 . . . . . . . 112 ASP CA . 27742 1 352 . 1 . 1 112 112 ASP CB C 13 38.193 0.000 . . . . . . . 112 ASP CB . 27742 1 353 . 1 . 1 112 112 ASP N N 15 120.874 0.000 . . . . . . . 112 ASP N . 27742 1 354 . 1 . 1 113 113 GLY H H 1 8.170 0.000 . . . . . . . 113 GLY HN . 27742 1 355 . 1 . 1 113 113 GLY CA C 13 42.905 0.059 . . . . . . . 113 GLY CA . 27742 1 356 . 1 . 1 113 113 GLY N N 15 110.828 0.000 . . . . . . . 113 GLY N . 27742 1 357 . 1 . 1 114 114 ARG H H 1 7.777 0.000 . . . . . . . 114 ARG HN . 27742 1 358 . 1 . 1 114 114 ARG CA C 13 53.345 0.000 . . . . . . . 114 ARG CA . 27742 1 359 . 1 . 1 114 114 ARG CB C 13 27.288 0.000 . . . . . . . 114 ARG CB . 27742 1 360 . 1 . 1 114 114 ARG N N 15 121.262 0.000 . . . . . . . 114 ARG N . 27742 1 361 . 1 . 1 115 115 LEU H H 1 8.079 0.000 . . . . . . . 115 LEU HN . 27742 1 362 . 1 . 1 115 115 LEU CA C 13 52.917 0.000 . . . . . . . 115 LEU CA . 27742 1 363 . 1 . 1 115 115 LEU CB C 13 38.888 0.022 . . . . . . . 115 LEU CB . 27742 1 364 . 1 . 1 115 115 LEU N N 15 123.204 0.000 . . . . . . . 115 LEU N . 27742 1 365 . 1 . 1 116 116 GLN H H 1 8.059 0.000 . . . . . . . 116 GLN HN . 27742 1 366 . 1 . 1 116 116 GLN CA C 13 53.762 0.000 . . . . . . . 116 GLN CA . 27742 1 367 . 1 . 1 116 116 GLN CB C 13 27.041 0.000 . . . . . . . 116 GLN CB . 27742 1 368 . 1 . 1 116 116 GLN N N 15 121.797 0.000 . . . . . . . 116 GLN N . 27742 1 369 . 1 . 1 121 121 LYS CA C 13 53.209 0.000 . . . . . . . 121 LYS CA . 27742 1 370 . 1 . 1 121 121 LYS CB C 13 30.385 0.000 . . . . . . . 121 LYS CB . 27742 1 371 . 1 . 1 122 122 GLY H H 1 8.362 0.000 . . . . . . . 122 GLY HN . 27742 1 372 . 1 . 1 122 122 GLY CA C 13 43.917 0.000 . . . . . . . 122 GLY CA . 27742 1 373 . 1 . 1 122 122 GLY N N 15 110.855 0.000 . . . . . . . 122 GLY N . 27742 1 374 . 1 . 1 123 123 LEU H H 1 7.724 0.000 . . . . . . . 123 LEU HN . 27742 1 375 . 1 . 1 123 123 LEU CA C 13 54.973 0.000 . . . . . . . 123 LEU CA . 27742 1 376 . 1 . 1 123 123 LEU CB C 13 38.540 0.000 . . . . . . . 123 LEU CB . 27742 1 377 . 1 . 1 123 123 LEU N N 15 124.817 0.000 . . . . . . . 123 LEU N . 27742 1 378 . 1 . 1 125 125 HIS CA C 13 55.723 0.000 . . . . . . . 125 HIS CA . 27742 1 379 . 1 . 1 125 125 HIS CB C 13 25.215 0.000 . . . . . . . 125 HIS CB . 27742 1 380 . 1 . 1 126 126 VAL H H 1 8.125 0.000 . . . . . . . 126 VAL HN . 27742 1 381 . 1 . 1 126 126 VAL CA C 13 59.547 0.206 . . . . . . . 126 VAL CA . 27742 1 382 . 1 . 1 126 126 VAL CB C 13 29.778 0.115 . . . . . . . 126 VAL CB . 27742 1 383 . 1 . 1 126 126 VAL N N 15 124.071 0.041 . . . . . . . 126 VAL N . 27742 1 384 . 1 . 1 127 127 ILE H H 1 7.941 0.000 . . . . . . . 127 ILE HN . 27742 1 385 . 1 . 1 127 127 ILE CA C 13 58.352 0.343 . . . . . . . 127 ILE CA . 27742 1 386 . 1 . 1 127 127 ILE CB C 13 35.340 0.038 . . . . . . . 127 ILE CB . 27742 1 387 . 1 . 1 127 127 ILE N N 15 126.044 0.000 . . . . . . . 127 ILE N . 27742 1 388 . 1 . 1 128 128 TYR H H 1 7.579 0.000 . . . . . . . 128 TYR HN . 27742 1 389 . 1 . 1 128 128 TYR CA C 13 56.943 0.000 . . . . . . . 128 TYR CA . 27742 1 390 . 1 . 1 128 128 TYR CB C 13 36.445 0.000 . . . . . . . 128 TYR CB . 27742 1 391 . 1 . 1 128 128 TYR N N 15 130.826 0.000 . . . . . . . 128 TYR N . 27742 1 392 . 1 . 1 129 129 CYS CA C 13 59.044 0.000 . . . . . . . 129 CYS CA . 27742 1 393 . 1 . 1 129 129 CYS CB C 13 29.832 0.000 . . . . . . . 129 CYS CB . 27742 1 394 . 1 . 1 130 130 ARG H H 1 8.373 0.000 . . . . . . . 130 ARG HN . 27742 1 395 . 1 . 1 130 130 ARG CA C 13 52.771 0.201 . . . . . . . 130 ARG CA . 27742 1 396 . 1 . 1 130 130 ARG CB C 13 27.531 0.021 . . . . . . . 130 ARG CB . 27742 1 397 . 1 . 1 130 130 ARG N N 15 126.325 0.000 . . . . . . . 130 ARG N . 27742 1 398 . 1 . 1 131 131 LEU H H 1 6.927 0.000 . . . . . . . 131 LEU HN . 27742 1 399 . 1 . 1 131 131 LEU CA C 13 54.778 0.028 . . . . . . . 131 LEU CA . 27742 1 400 . 1 . 1 131 131 LEU CB C 13 40.174 0.080 . . . . . . . 131 LEU CB . 27742 1 401 . 1 . 1 131 131 LEU N N 15 115.328 0.000 . . . . . . . 131 LEU N . 27742 1 402 . 1 . 1 132 132 TRP H H 1 9.032 0.000 . . . . . . . 132 TRP HN . 27742 1 403 . 1 . 1 132 132 TRP CA C 13 51.188 0.189 . . . . . . . 132 TRP CA . 27742 1 404 . 1 . 1 132 132 TRP CB C 13 29.411 0.023 . . . . . . . 132 TRP CB . 27742 1 405 . 1 . 1 132 132 TRP N N 15 119.012 0.000 . . . . . . . 132 TRP N . 27742 1 406 . 1 . 1 133 133 ARG H H 1 9.062 0.000 . . . . . . . 133 ARG HN . 27742 1 407 . 1 . 1 133 133 ARG CA C 13 56.785 0.000 . . . . . . . 133 ARG CA . 27742 1 408 . 1 . 1 133 133 ARG CB C 13 31.843 0.194 . . . . . . . 133 ARG CB . 27742 1 409 . 1 . 1 133 133 ARG N N 15 119.540 0.000 . . . . . . . 133 ARG N . 27742 1 410 . 1 . 1 134 134 TRP H H 1 7.819 0.000 . . . . . . . 134 TRP HN . 27742 1 411 . 1 . 1 134 134 TRP CA C 13 56.571 0.000 . . . . . . . 134 TRP CA . 27742 1 412 . 1 . 1 134 134 TRP CB C 13 27.386 0.000 . . . . . . . 134 TRP CB . 27742 1 413 . 1 . 1 134 134 TRP N N 15 128.482 0.000 . . . . . . . 134 TRP N . 27742 1 414 . 1 . 1 135 135 PRO CA C 13 62.281 0.000 . . . . . . . 135 PRO CA . 27742 1 415 . 1 . 1 135 135 PRO CB C 13 29.109 0.000 . . . . . . . 135 PRO CB . 27742 1 416 . 1 . 1 136 136 ASP H H 1 8.264 0.000 . . . . . . . 136 ASP HN . 27742 1 417 . 1 . 1 136 136 ASP CA C 13 49.642 0.073 . . . . . . . 136 ASP CA . 27742 1 418 . 1 . 1 136 136 ASP CB C 13 37.109 0.050 . . . . . . . 136 ASP CB . 27742 1 419 . 1 . 1 136 136 ASP N N 15 114.493 0.000 . . . . . . . 136 ASP N . 27742 1 420 . 1 . 1 137 137 LEU H H 1 7.358 0.000 . . . . . . . 137 LEU HN . 27742 1 421 . 1 . 1 137 137 LEU CA C 13 53.233 0.185 . . . . . . . 137 LEU CA . 27742 1 422 . 1 . 1 137 137 LEU CB C 13 40.834 0.000 . . . . . . . 137 LEU CB . 27742 1 423 . 1 . 1 137 137 LEU N N 15 122.922 0.000 . . . . . . . 137 LEU N . 27742 1 424 . 1 . 1 138 138 HIS H H 1 9.534 0.001 . . . . . . . 138 HIS HN . 27742 1 425 . 1 . 1 138 138 HIS CA C 13 54.085 0.000 . . . . . . . 138 HIS CA . 27742 1 426 . 1 . 1 138 138 HIS CB C 13 27.954 0.000 . . . . . . . 138 HIS CB . 27742 1 427 . 1 . 1 138 138 HIS N N 15 125.454 0.000 . . . . . . . 138 HIS N . 27742 1 428 . 1 . 1 140 140 HIS CA C 13 54.990 0.000 . . . . . . . 140 HIS CA . 27742 1 429 . 1 . 1 140 140 HIS CB C 13 27.081 0.000 . . . . . . . 140 HIS CB . 27742 1 430 . 1 . 1 141 141 HIS H H 1 7.866 0.000 . . . . . . . 141 HIS HN . 27742 1 431 . 1 . 1 141 141 HIS CA C 13 54.717 0.000 . . . . . . . 141 HIS CA . 27742 1 432 . 1 . 1 141 141 HIS CB C 13 27.584 0.033 . . . . . . . 141 HIS CB . 27742 1 433 . 1 . 1 141 141 HIS N N 15 125.064 0.000 . . . . . . . 141 HIS N . 27742 1 434 . 1 . 1 142 142 GLU H H 1 7.635 0.000 . . . . . . . 142 GLU HN . 27742 1 435 . 1 . 1 142 142 GLU CA C 13 53.711 0.000 . . . . . . . 142 GLU CA . 27742 1 436 . 1 . 1 142 142 GLU CB C 13 29.161 0.000 . . . . . . . 142 GLU CB . 27742 1 437 . 1 . 1 142 142 GLU N N 15 123.766 0.000 . . . . . . . 142 GLU N . 27742 1 438 . 1 . 1 143 143 LEU H H 1 7.110 0.000 . . . . . . . 143 LEU HN . 27742 1 439 . 1 . 1 143 143 LEU CA C 13 50.759 0.000 . . . . . . . 143 LEU CA . 27742 1 440 . 1 . 1 143 143 LEU CB C 13 42.710 0.000 . . . . . . . 143 LEU CB . 27742 1 441 . 1 . 1 143 143 LEU N N 15 117.606 0.000 . . . . . . . 143 LEU N . 27742 1 442 . 1 . 1 144 144 LYS H H 1 8.972 0.000 . . . . . . . 144 LYS HN . 27742 1 443 . 1 . 1 144 144 LYS CA C 13 51.935 0.214 . . . . . . . 144 LYS CA . 27742 1 444 . 1 . 1 144 144 LYS CB C 13 32.819 0.069 . . . . . . . 144 LYS CB . 27742 1 445 . 1 . 1 144 144 LYS N N 15 123.011 0.000 . . . . . . . 144 LYS N . 27742 1 446 . 1 . 1 145 145 ALA H H 1 8.803 0.000 . . . . . . . 145 ALA HN . 27742 1 447 . 1 . 1 145 145 ALA CA C 13 49.215 0.000 . . . . . . . 145 ALA CA . 27742 1 448 . 1 . 1 145 145 ALA CB C 13 18.425 0.000 . . . . . . . 145 ALA CB . 27742 1 449 . 1 . 1 145 145 ALA N N 15 129.610 0.000 . . . . . . . 145 ALA N . 27742 1 450 . 1 . 1 146 146 ILE H H 1 7.668 0.000 . . . . . . . 146 ILE HN . 27742 1 451 . 1 . 1 146 146 ILE CA C 13 58.925 0.000 . . . . . . . 146 ILE CA . 27742 1 452 . 1 . 1 146 146 ILE CB C 13 35.542 0.000 . . . . . . . 146 ILE CB . 27742 1 453 . 1 . 1 146 146 ILE N N 15 116.118 0.000 . . . . . . . 146 ILE N . 27742 1 454 . 1 . 1 147 147 GLU H H 1 8.612 0.000 . . . . . . . 147 GLU HN . 27742 1 455 . 1 . 1 147 147 GLU CA C 13 57.046 0.000 . . . . . . . 147 GLU CA . 27742 1 456 . 1 . 1 147 147 GLU CB C 13 26.307 0.130 . . . . . . . 147 GLU CB . 27742 1 457 . 1 . 1 147 147 GLU N N 15 122.548 0.000 . . . . . . . 147 GLU N . 27742 1 458 . 1 . 1 148 148 ASN H H 1 7.737 0.001 . . . . . . . 148 ASN HN . 27742 1 459 . 1 . 1 148 148 ASN CA C 13 50.245 0.000 . . . . . . . 148 ASN CA . 27742 1 460 . 1 . 1 148 148 ASN CB C 13 34.245 0.000 . . . . . . . 148 ASN CB . 27742 1 461 . 1 . 1 148 148 ASN N N 15 111.022 0.000 . . . . . . . 148 ASN N . 27742 1 462 . 1 . 1 149 149 CYS H H 1 6.893 0.000 . . . . . . . 149 CYS HN . 27742 1 463 . 1 . 1 149 149 CYS CA C 13 58.687 0.000 . . . . . . . 149 CYS CA . 27742 1 464 . 1 . 1 149 149 CYS CB C 13 25.354 0.020 . . . . . . . 149 CYS CB . 27742 1 465 . 1 . 1 149 149 CYS N N 15 124.257 0.000 . . . . . . . 149 CYS N . 27742 1 466 . 1 . 1 150 150 GLU H H 1 6.913 0.000 . . . . . . . 150 GLU HN . 27742 1 467 . 1 . 1 150 150 GLU CA C 13 55.417 0.000 . . . . . . . 150 GLU CA . 27742 1 468 . 1 . 1 150 150 GLU CB C 13 27.808 0.002 . . . . . . . 150 GLU CB . 27742 1 469 . 1 . 1 150 150 GLU N N 15 133.493 0.000 . . . . . . . 150 GLU N . 27742 1 470 . 1 . 1 151 151 TYR H H 1 7.886 0.000 . . . . . . . 151 TYR HN . 27742 1 471 . 1 . 1 151 151 TYR CA C 13 54.825 0.074 . . . . . . . 151 TYR CA . 27742 1 472 . 1 . 1 151 151 TYR CB C 13 36.171 0.000 . . . . . . . 151 TYR CB . 27742 1 473 . 1 . 1 151 151 TYR N N 15 116.734 0.000 . . . . . . . 151 TYR N . 27742 1 474 . 1 . 1 152 152 ALA H H 1 6.805 0.000 . . . . . . . 152 ALA HN . 27742 1 475 . 1 . 1 152 152 ALA CA C 13 50.481 0.125 . . . . . . . 152 ALA CA . 27742 1 476 . 1 . 1 152 152 ALA CB C 13 17.306 1.024 . . . . . . . 152 ALA CB . 27742 1 477 . 1 . 1 152 152 ALA N N 15 129.673 0.000 . . . . . . . 152 ALA N . 27742 1 478 . 1 . 1 153 153 PHE H H 1 7.945 0.000 . . . . . . . 153 PHE HN . 27742 1 479 . 1 . 1 153 153 PHE CA C 13 58.808 0.201 . . . . . . . 153 PHE CA . 27742 1 480 . 1 . 1 153 153 PHE CB C 13 35.399 0.134 . . . . . . . 153 PHE CB . 27742 1 481 . 1 . 1 153 153 PHE N N 15 120.953 0.000 . . . . . . . 153 PHE N . 27742 1 482 . 1 . 1 154 154 ASN H H 1 8.059 0.000 . . . . . . . 154 ASN HN . 27742 1 483 . 1 . 1 154 154 ASN CA C 13 52.840 0.000 . . . . . . . 154 ASN CA . 27742 1 484 . 1 . 1 154 154 ASN CB C 13 38.283 0.000 . . . . . . . 154 ASN CB . 27742 1 485 . 1 . 1 154 154 ASN N N 15 123.766 0.000 . . . . . . . 154 ASN N . 27742 1 486 . 1 . 1 155 155 LEU CA C 13 51.689 0.000 . . . . . . . 155 LEU CA . 27742 1 487 . 1 . 1 155 155 LEU CB C 13 38.405 0.000 . . . . . . . 155 LEU CB . 27742 1 488 . 1 . 1 156 156 LYS H H 1 7.986 0.000 . . . . . . . 156 LYS HN . 27742 1 489 . 1 . 1 156 156 LYS CA C 13 54.949 0.573 . . . . . . . 156 LYS CA . 27742 1 490 . 1 . 1 156 156 LYS CB C 13 26.849 0.038 . . . . . . . 156 LYS CB . 27742 1 491 . 1 . 1 156 156 LYS N N 15 121.169 0.000 . . . . . . . 156 LYS N . 27742 1 492 . 1 . 1 157 157 LYS H H 1 7.385 0.000 . . . . . . . 157 LYS HN . 27742 1 493 . 1 . 1 157 157 LYS CA C 13 54.851 0.000 . . . . . . . 157 LYS CA . 27742 1 494 . 1 . 1 157 157 LYS CB C 13 25.966 0.000 . . . . . . . 157 LYS CB . 27742 1 495 . 1 . 1 157 157 LYS N N 15 120.188 0.000 . . . . . . . 157 LYS N . 27742 1 496 . 1 . 1 161 161 CYS CA C 13 57.046 0.000 . . . . . . . 161 CYS CA . 27742 1 497 . 1 . 1 161 161 CYS CB C 13 27.732 0.000 . . . . . . . 161 CYS CB . 27742 1 498 . 1 . 1 162 162 VAL H H 1 9.155 0.000 . . . . . . . 162 VAL HN . 27742 1 499 . 1 . 1 162 162 VAL CA C 13 57.342 0.000 . . . . . . . 162 VAL CA . 27742 1 500 . 1 . 1 162 162 VAL CB C 13 28.472 0.222 . . . . . . . 162 VAL CB . 27742 1 501 . 1 . 1 162 162 VAL N N 15 122.641 0.000 . . . . . . . 162 VAL N . 27742 1 502 . 1 . 1 163 163 ASN H H 1 8.299 0.000 . . . . . . . 163 ASN HN . 27742 1 503 . 1 . 1 163 163 ASN CA C 13 55.639 0.000 . . . . . . . 163 ASN CA . 27742 1 504 . 1 . 1 163 163 ASN CB C 13 38.540 0.000 . . . . . . . 163 ASN CB . 27742 1 505 . 1 . 1 163 163 ASN N N 15 118.984 0.000 . . . . . . . 163 ASN N . 27742 1 506 . 1 . 1 166 166 HIS CA C 13 54.825 0.000 . . . . . . . 166 HIS CA . 27742 1 507 . 1 . 1 166 166 HIS CB C 13 26.696 0.000 . . . . . . . 166 HIS CB . 27742 1 508 . 1 . 1 167 167 TYR H H 1 7.919 0.000 . . . . . . . 167 TYR HN . 27742 1 509 . 1 . 1 167 167 TYR CA C 13 51.568 0.000 . . . . . . . 167 TYR CA . 27742 1 510 . 1 . 1 167 167 TYR CB C 13 38.466 0.074 . . . . . . . 167 TYR CB . 27742 1 511 . 1 . 1 167 167 TYR N N 15 122.078 0.000 . . . . . . . 167 TYR N . 27742 1 512 . 1 . 1 168 168 GLN H H 1 7.914 0.000 . . . . . . . 168 GLN HN . 27742 1 513 . 1 . 1 168 168 GLN CA C 13 53.419 0.148 . . . . . . . 168 GLN CA . 27742 1 514 . 1 . 1 168 168 GLN CB C 13 26.823 0.000 . . . . . . . 168 GLN CB . 27742 1 515 . 1 . 1 168 168 GLN N N 15 120.953 0.000 . . . . . . . 168 GLN N . 27742 1 516 . 1 . 1 169 169 ARG H H 1 8.247 0.000 . . . . . . . 169 ARG HN . 27742 1 517 . 1 . 1 169 169 ARG CA C 13 52.399 0.091 . . . . . . . 169 ARG CA . 27742 1 518 . 1 . 1 169 169 ARG CB C 13 27.369 0.000 . . . . . . . 169 ARG CB . 27742 1 519 . 1 . 1 169 169 ARG N N 15 122.256 0.000 . . . . . . . 169 ARG N . 27742 1 520 . 1 . 1 170 170 VAL H H 1 8.336 0.000 . . . . . . . 170 VAL HN . 27742 1 521 . 1 . 1 170 170 VAL CA C 13 58.288 0.000 . . . . . . . 170 VAL CA . 27742 1 522 . 1 . 1 170 170 VAL CB C 13 30.392 0.000 . . . . . . . 170 VAL CB . 27742 1 523 . 1 . 1 170 170 VAL N N 15 126.017 0.000 . . . . . . . 170 VAL N . 27742 1 524 . 1 . 1 171 171 GLU CA C 13 53.220 0.000 . . . . . . . 171 GLU CA . 27742 1 525 . 1 . 1 171 171 GLU CB C 13 27.231 0.000 . . . . . . . 171 GLU CB . 27742 1 526 . 1 . 1 172 172 THR H H 1 8.046 0.000 . . . . . . . 172 THR HN . 27742 1 527 . 1 . 1 172 172 THR CA C 13 56.999 0.000 . . . . . . . 172 THR CA . 27742 1 528 . 1 . 1 172 172 THR CB C 13 66.856 0.000 . . . . . . . 172 THR CB . 27742 1 529 . 1 . 1 172 172 THR N N 15 119.012 0.000 . . . . . . . 172 THR N . 27742 1 530 . 1 . 1 174 174 VAL H H 1 7.598 0.000 . . . . . . . 174 SER HN . 27742 1 531 . 1 . 1 174 174 VAL CA C 13 60.967 0.000 . . . . . . . 174 SER CA . 27742 1 532 . 1 . 1 174 174 VAL N N 15 125.329 0.000 . . . . . . . 174 SER N . 27742 1 stop_ save_