################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10179 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10179 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10179 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 8 8 THR CA C 13 61.941 0.300 . 1 . . . . 8 THR CA . 10179 1 2 . 1 1 8 8 THR HA H 1 4.370 0.030 . 1 . . . . 8 THR HA . 10179 1 3 . 1 1 8 8 THR CB C 13 69.887 0.300 . 1 . . . . 8 THR CB . 10179 1 4 . 1 1 8 8 THR HB H 1 4.281 0.030 . 1 . . . . 8 THR HB . 10179 1 5 . 1 1 8 8 THR HG21 H 1 1.213 0.030 . 1 . . . . 8 THR HG2 . 10179 1 6 . 1 1 8 8 THR HG22 H 1 1.213 0.030 . 1 . . . . 8 THR HG2 . 10179 1 7 . 1 1 8 8 THR HG23 H 1 1.213 0.030 . 1 . . . . 8 THR HG2 . 10179 1 8 . 1 1 9 9 GLY CA C 13 45.384 0.300 . 1 . . . . 9 GLY CA . 10179 1 9 . 1 1 9 9 GLY HA3 H 1 3.952 0.030 . 1 . . . . 9 GLY HA3 . 10179 1 10 . 1 1 9 9 GLY C C 13 174.059 0.300 . 1 . . . . 9 GLY C . 10179 1 11 . 1 1 9 9 GLY HA2 H 1 3.952 0.030 . 1 . . . . 9 GLY HA2 . 10179 1 12 . 1 1 10 10 GLN N N 15 119.396 0.300 . 1 . . . . 10 GLN N . 10179 1 13 . 1 1 10 10 GLN H H 1 8.197 0.030 . 1 . . . . 10 GLN H . 10179 1 14 . 1 1 10 10 GLN CA C 13 56.099 0.300 . 1 . . . . 10 GLN CA . 10179 1 15 . 1 1 10 10 GLN HA H 1 4.254 0.030 . 1 . . . . 10 GLN HA . 10179 1 16 . 1 1 10 10 GLN CB C 13 29.534 0.300 . 1 . . . . 10 GLN CB . 10179 1 17 . 1 1 10 10 GLN HB3 H 1 2.058 0.030 . 2 . . . . 10 GLN HB3 . 10179 1 18 . 1 1 10 10 GLN CG C 13 33.893 0.300 . 1 . . . . 10 GLN CG . 10179 1 19 . 1 1 10 10 GLN HG3 H 1 2.330 0.030 . 1 . . . . 10 GLN HG3 . 10179 1 20 . 1 1 10 10 GLN NE2 N 15 112.720 0.300 . 1 . . . . 10 GLN NE2 . 10179 1 21 . 1 1 10 10 GLN HE21 H 1 7.539 0.030 . 2 . . . . 10 GLN HE21 . 10179 1 22 . 1 1 10 10 GLN HE22 H 1 6.852 0.030 . 2 . . . . 10 GLN HE22 . 10179 1 23 . 1 1 10 10 GLN C C 13 175.906 0.300 . 1 . . . . 10 GLN C . 10179 1 24 . 1 1 10 10 GLN HB2 H 1 1.946 0.030 . 2 . . . . 10 GLN HB2 . 10179 1 25 . 1 1 10 10 GLN HG2 H 1 2.330 0.030 . 1 . . . . 10 GLN HG2 . 10179 1 26 . 1 1 11 11 ARG N N 15 122.290 0.300 . 1 . . . . 11 ARG N . 10179 1 27 . 1 1 11 11 ARG H H 1 8.323 0.030 . 1 . . . . 11 ARG H . 10179 1 28 . 1 1 11 11 ARG CA C 13 53.699 0.300 . 1 . . . . 11 ARG CA . 10179 1 29 . 1 1 11 11 ARG HA H 1 4.536 0.030 . 1 . . . . 11 ARG HA . 10179 1 30 . 1 1 11 11 ARG CB C 13 30.483 0.300 . 1 . . . . 11 ARG CB . 10179 1 31 . 1 1 11 11 ARG HB3 H 1 1.570 0.030 . 1 . . . . 11 ARG HB3 . 10179 1 32 . 1 1 11 11 ARG CG C 13 27.053 0.300 . 1 . . . . 11 ARG CG . 10179 1 33 . 1 1 11 11 ARG HG3 H 1 1.539 0.030 . 2 . . . . 11 ARG HG3 . 10179 1 34 . 1 1 11 11 ARG CD C 13 43.429 0.300 . 1 . . . . 11 ARG CD . 10179 1 35 . 1 1 11 11 ARG HD3 H 1 3.071 0.030 . 1 . . . . 11 ARG HD3 . 10179 1 36 . 1 1 11 11 ARG C C 13 173.683 0.300 . 1 . . . . 11 ARG C . 10179 1 37 . 1 1 11 11 ARG HB2 H 1 1.570 0.030 . 1 . . . . 11 ARG HB2 . 10179 1 38 . 1 1 11 11 ARG HD2 H 1 3.071 0.030 . 1 . . . . 11 ARG HD2 . 10179 1 39 . 1 1 11 11 ARG HG2 H 1 1.433 0.030 . 2 . . . . 11 ARG HG2 . 10179 1 40 . 1 1 12 12 PRO CA C 13 63.397 0.300 . 1 . . . . 12 PRO CA . 10179 1 41 . 1 1 12 12 PRO HA H 1 4.285 0.030 . 1 . . . . 12 PRO HA . 10179 1 42 . 1 1 12 12 PRO CB C 13 32.234 0.300 . 1 . . . . 12 PRO CB . 10179 1 43 . 1 1 12 12 PRO HB3 H 1 1.365 0.030 . 2 . . . . 12 PRO HB3 . 10179 1 44 . 1 1 12 12 PRO CG C 13 26.849 0.300 . 1 . . . . 12 PRO CG . 10179 1 45 . 1 1 12 12 PRO HG3 H 1 1.824 0.030 . 2 . . . . 12 PRO HG3 . 10179 1 46 . 1 1 12 12 PRO CD C 13 50.234 0.300 . 1 . . . . 12 PRO CD . 10179 1 47 . 1 1 12 12 PRO HD3 H 1 3.602 0.030 . 1 . . . . 12 PRO HD3 . 10179 1 48 . 1 1 12 12 PRO C C 13 176.232 0.300 . 1 . . . . 12 PRO C . 10179 1 49 . 1 1 12 12 PRO HB2 H 1 2.024 0.030 . 2 . . . . 12 PRO HB2 . 10179 1 50 . 1 1 12 12 PRO HD2 H 1 3.602 0.030 . 1 . . . . 12 PRO HD2 . 10179 1 51 . 1 1 12 12 PRO HG2 H 1 1.715 0.030 . 2 . . . . 12 PRO HG2 . 10179 1 52 . 1 1 13 13 TYR N N 15 118.384 0.300 . 1 . . . . 13 TYR N . 10179 1 53 . 1 1 13 13 TYR H H 1 8.076 0.030 . 1 . . . . 13 TYR H . 10179 1 54 . 1 1 13 13 TYR CA C 13 57.335 0.300 . 1 . . . . 13 TYR CA . 10179 1 55 . 1 1 13 13 TYR HA H 1 4.617 0.030 . 1 . . . . 13 TYR HA . 10179 1 56 . 1 1 13 13 TYR CB C 13 38.356 0.300 . 1 . . . . 13 TYR CB . 10179 1 57 . 1 1 13 13 TYR HB3 H 1 2.954 0.030 . 2 . . . . 13 TYR HB3 . 10179 1 58 . 1 1 13 13 TYR CD1 C 13 133.105 0.300 . 1 . . . . 13 TYR CD1 . 10179 1 59 . 1 1 13 13 TYR HD1 H 1 6.983 0.030 . 1 . . . . 13 TYR HD1 . 10179 1 60 . 1 1 13 13 TYR CD2 C 13 133.105 0.300 . 1 . . . . 13 TYR CD2 . 10179 1 61 . 1 1 13 13 TYR HD2 H 1 6.983 0.030 . 1 . . . . 13 TYR HD2 . 10179 1 62 . 1 1 13 13 TYR CE1 C 13 118.265 0.300 . 1 . . . . 13 TYR CE1 . 10179 1 63 . 1 1 13 13 TYR HE1 H 1 6.855 0.030 . 1 . . . . 13 TYR HE1 . 10179 1 64 . 1 1 13 13 TYR CE2 C 13 118.265 0.300 . 1 . . . . 13 TYR CE2 . 10179 1 65 . 1 1 13 13 TYR HE2 H 1 6.855 0.030 . 1 . . . . 13 TYR HE2 . 10179 1 66 . 1 1 13 13 TYR C C 13 174.768 0.300 . 1 . . . . 13 TYR C . 10179 1 67 . 1 1 13 13 TYR HB2 H 1 2.855 0.030 . 2 . . . . 13 TYR HB2 . 10179 1 68 . 1 1 14 14 GLU N N 15 123.471 0.300 . 1 . . . . 14 GLU N . 10179 1 69 . 1 1 14 14 GLU H H 1 8.460 0.030 . 1 . . . . 14 GLU H . 10179 1 70 . 1 1 14 14 GLU CA C 13 55.233 0.300 . 1 . . . . 14 GLU CA . 10179 1 71 . 1 1 14 14 GLU HA H 1 4.925 0.030 . 1 . . . . 14 GLU HA . 10179 1 72 . 1 1 14 14 GLU CB C 13 32.790 0.300 . 1 . . . . 14 GLU CB . 10179 1 73 . 1 1 14 14 GLU HB3 H 1 1.840 0.030 . 1 . . . . 14 GLU HB3 . 10179 1 74 . 1 1 14 14 GLU CG C 13 36.688 0.300 . 1 . . . . 14 GLU CG . 10179 1 75 . 1 1 14 14 GLU HG3 H 1 1.937 0.030 . 2 . . . . 14 GLU HG3 . 10179 1 76 . 1 1 14 14 GLU C C 13 175.483 0.300 . 1 . . . . 14 GLU C . 10179 1 77 . 1 1 14 14 GLU HB2 H 1 1.840 0.030 . 1 . . . . 14 GLU HB2 . 10179 1 78 . 1 1 14 14 GLU HG2 H 1 2.023 0.030 . 2 . . . . 14 GLU HG2 . 10179 1 79 . 1 1 15 15 CYS N N 15 126.570 0.300 . 1 . . . . 15 CYS N . 10179 1 80 . 1 1 15 15 CYS H H 1 9.293 0.030 . 1 . . . . 15 CYS H . 10179 1 81 . 1 1 15 15 CYS CA C 13 59.368 0.300 . 1 . . . . 15 CYS CA . 10179 1 82 . 1 1 15 15 CYS HA H 1 4.608 0.030 . 1 . . . . 15 CYS HA . 10179 1 83 . 1 1 15 15 CYS CB C 13 29.874 0.300 . 1 . . . . 15 CYS CB . 10179 1 84 . 1 1 15 15 CYS HB3 H 1 2.849 0.030 . 2 . . . . 15 CYS HB3 . 10179 1 85 . 1 1 15 15 CYS C C 13 177.332 0.300 . 1 . . . . 15 CYS C . 10179 1 86 . 1 1 15 15 CYS HB2 H 1 3.437 0.030 . 2 . . . . 15 CYS HB2 . 10179 1 87 . 1 1 16 16 ILE N N 15 114.361 0.300 . 1 . . . . 16 ILE N . 10179 1 88 . 1 1 16 16 ILE H H 1 8.857 0.030 . 1 . . . . 16 ILE H . 10179 1 89 . 1 1 16 16 ILE CA C 13 63.249 0.300 . 1 . . . . 16 ILE CA . 10179 1 90 . 1 1 16 16 ILE HA H 1 4.126 0.030 . 1 . . . . 16 ILE HA . 10179 1 91 . 1 1 16 16 ILE CB C 13 38.266 0.300 . 1 . . . . 16 ILE CB . 10179 1 92 . 1 1 16 16 ILE HB H 1 2.022 0.030 . 1 . . . . 16 ILE HB . 10179 1 93 . 1 1 16 16 ILE CG1 C 13 27.772 0.300 . 1 . . . . 16 ILE CG1 . 10179 1 94 . 1 1 16 16 ILE HG13 H 1 1.511 0.030 . 2 . . . . 16 ILE HG13 . 10179 1 95 . 1 1 16 16 ILE CG2 C 13 17.812 0.300 . 1 . . . . 16 ILE CG2 . 10179 1 96 . 1 1 16 16 ILE HG21 H 1 1.015 0.030 . 1 . . . . 16 ILE HG2 . 10179 1 97 . 1 1 16 16 ILE HG22 H 1 1.015 0.030 . 1 . . . . 16 ILE HG2 . 10179 1 98 . 1 1 16 16 ILE HG23 H 1 1.015 0.030 . 1 . . . . 16 ILE HG2 . 10179 1 99 . 1 1 16 16 ILE CD1 C 13 13.674 0.300 . 1 . . . . 16 ILE CD1 . 10179 1 100 . 1 1 16 16 ILE HD11 H 1 0.927 0.030 . 1 . . . . 16 ILE HD1 . 10179 1 101 . 1 1 16 16 ILE HD12 H 1 0.927 0.030 . 1 . . . . 16 ILE HD1 . 10179 1 102 . 1 1 16 16 ILE HD13 H 1 0.927 0.030 . 1 . . . . 16 ILE HD1 . 10179 1 103 . 1 1 16 16 ILE C C 13 176.261 0.300 . 1 . . . . 16 ILE C . 10179 1 104 . 1 1 16 16 ILE HG12 H 1 1.360 0.030 . 2 . . . . 16 ILE HG12 . 10179 1 105 . 1 1 17 17 GLU N N 15 122.365 0.300 . 1 . . . . 17 GLU N . 10179 1 106 . 1 1 17 17 GLU H H 1 8.639 0.030 . 1 . . . . 17 GLU H . 10179 1 107 . 1 1 17 17 GLU CA C 13 59.363 0.300 . 1 . . . . 17 GLU CA . 10179 1 108 . 1 1 17 17 GLU HA H 1 4.154 0.030 . 1 . . . . 17 GLU HA . 10179 1 109 . 1 1 17 17 GLU CB C 13 29.427 0.300 . 1 . . . . 17 GLU CB . 10179 1 110 . 1 1 17 17 GLU HB3 H 1 1.504 0.030 . 2 . . . . 17 GLU HB3 . 10179 1 111 . 1 1 17 17 GLU CG C 13 36.837 0.300 . 1 . . . . 17 GLU CG . 10179 1 112 . 1 1 17 17 GLU HG3 H 1 1.977 0.030 . 2 . . . . 17 GLU HG3 . 10179 1 113 . 1 1 17 17 GLU C C 13 177.603 0.300 . 1 . . . . 17 GLU C . 10179 1 114 . 1 1 17 17 GLU HB2 H 1 1.406 0.030 . 2 . . . . 17 GLU HB2 . 10179 1 115 . 1 1 17 17 GLU HG2 H 1 1.934 0.030 . 2 . . . . 17 GLU HG2 . 10179 1 116 . 1 1 18 18 CYS N N 15 114.731 0.300 . 1 . . . . 18 CYS N . 10179 1 117 . 1 1 18 18 CYS H H 1 7.995 0.030 . 1 . . . . 18 CYS H . 10179 1 118 . 1 1 18 18 CYS CA C 13 58.612 0.300 . 1 . . . . 18 CYS CA . 10179 1 119 . 1 1 18 18 CYS HA H 1 5.146 0.030 . 1 . . . . 18 CYS HA . 10179 1 120 . 1 1 18 18 CYS CB C 13 32.458 0.300 . 1 . . . . 18 CYS CB . 10179 1 121 . 1 1 18 18 CYS HB3 H 1 2.865 0.030 . 2 . . . . 18 CYS HB3 . 10179 1 122 . 1 1 18 18 CYS C C 13 176.248 0.300 . 1 . . . . 18 CYS C . 10179 1 123 . 1 1 18 18 CYS HB2 H 1 3.401 0.030 . 2 . . . . 18 CYS HB2 . 10179 1 124 . 1 1 19 19 GLY N N 15 113.796 0.300 . 1 . . . . 19 GLY N . 10179 1 125 . 1 1 19 19 GLY H H 1 8.397 0.030 . 1 . . . . 19 GLY H . 10179 1 126 . 1 1 19 19 GLY CA C 13 46.250 0.300 . 1 . . . . 19 GLY CA . 10179 1 127 . 1 1 19 19 GLY HA3 H 1 3.882 0.030 . 2 . . . . 19 GLY HA3 . 10179 1 128 . 1 1 19 19 GLY C C 13 173.933 0.300 . 1 . . . . 19 GLY C . 10179 1 129 . 1 1 19 19 GLY HA2 H 1 4.222 0.030 . 2 . . . . 19 GLY HA2 . 10179 1 130 . 1 1 20 20 LYS N N 15 122.119 0.300 . 1 . . . . 20 LYS N . 10179 1 131 . 1 1 20 20 LYS H H 1 7.887 0.030 . 1 . . . . 20 LYS H . 10179 1 132 . 1 1 20 20 LYS CA C 13 57.780 0.300 . 1 . . . . 20 LYS CA . 10179 1 133 . 1 1 20 20 LYS HA H 1 4.046 0.030 . 1 . . . . 20 LYS HA . 10179 1 134 . 1 1 20 20 LYS CB C 13 34.226 0.300 . 1 . . . . 20 LYS CB . 10179 1 135 . 1 1 20 20 LYS HB3 H 1 1.398 0.030 . 2 . . . . 20 LYS HB3 . 10179 1 136 . 1 1 20 20 LYS CG C 13 26.406 0.300 . 1 . . . . 20 LYS CG . 10179 1 137 . 1 1 20 20 LYS HG3 H 1 1.513 0.030 . 2 . . . . 20 LYS HG3 . 10179 1 138 . 1 1 20 20 LYS CD C 13 29.329 0.300 . 1 . . . . 20 LYS CD . 10179 1 139 . 1 1 20 20 LYS HD3 H 1 1.522 0.030 . 1 . . . . 20 LYS HD3 . 10179 1 140 . 1 1 20 20 LYS CE C 13 42.281 0.300 . 1 . . . . 20 LYS CE . 10179 1 141 . 1 1 20 20 LYS HE3 H 1 2.976 0.030 . 1 . . . . 20 LYS HE3 . 10179 1 142 . 1 1 20 20 LYS C C 13 173.634 0.300 . 1 . . . . 20 LYS C . 10179 1 143 . 1 1 20 20 LYS HB2 H 1 1.303 0.030 . 2 . . . . 20 LYS HB2 . 10179 1 144 . 1 1 20 20 LYS HD2 H 1 1.522 0.030 . 1 . . . . 20 LYS HD2 . 10179 1 145 . 1 1 20 20 LYS HE2 H 1 2.976 0.030 . 1 . . . . 20 LYS HE2 . 10179 1 146 . 1 1 20 20 LYS HG2 H 1 1.179 0.030 . 2 . . . . 20 LYS HG2 . 10179 1 147 . 1 1 21 21 ALA N N 15 122.988 0.300 . 1 . . . . 21 ALA N . 10179 1 148 . 1 1 21 21 ALA H H 1 7.852 0.030 . 1 . . . . 21 ALA H . 10179 1 149 . 1 1 21 21 ALA CA C 13 50.531 0.300 . 1 . . . . 21 ALA CA . 10179 1 150 . 1 1 21 21 ALA HA H 1 5.068 0.030 . 1 . . . . 21 ALA HA . 10179 1 151 . 1 1 21 21 ALA CB C 13 21.964 0.300 . 1 . . . . 21 ALA CB . 10179 1 152 . 1 1 21 21 ALA HB1 H 1 1.217 0.030 . 1 . . . . 21 ALA HB . 10179 1 153 . 1 1 21 21 ALA HB2 H 1 1.217 0.030 . 1 . . . . 21 ALA HB . 10179 1 154 . 1 1 21 21 ALA HB3 H 1 1.217 0.030 . 1 . . . . 21 ALA HB . 10179 1 155 . 1 1 21 21 ALA C C 13 176.493 0.300 . 1 . . . . 21 ALA C . 10179 1 156 . 1 1 22 22 PHE N N 15 117.964 0.300 . 1 . . . . 22 PHE N . 10179 1 157 . 1 1 22 22 PHE H H 1 8.646 0.030 . 1 . . . . 22 PHE H . 10179 1 158 . 1 1 22 22 PHE CA C 13 57.636 0.300 . 1 . . . . 22 PHE CA . 10179 1 159 . 1 1 22 22 PHE HA H 1 4.620 0.030 . 1 . . . . 22 PHE HA . 10179 1 160 . 1 1 22 22 PHE CB C 13 43.392 0.300 . 1 . . . . 22 PHE CB . 10179 1 161 . 1 1 22 22 PHE HB3 H 1 3.434 0.030 . 2 . . . . 22 PHE HB3 . 10179 1 162 . 1 1 22 22 PHE CD1 C 13 132.136 0.300 . 1 . . . . 22 PHE CD1 . 10179 1 163 . 1 1 22 22 PHE HD1 H 1 7.232 0.030 . 1 . . . . 22 PHE HD1 . 10179 1 164 . 1 1 22 22 PHE CD2 C 13 132.136 0.300 . 1 . . . . 22 PHE CD2 . 10179 1 165 . 1 1 22 22 PHE HD2 H 1 7.232 0.030 . 1 . . . . 22 PHE HD2 . 10179 1 166 . 1 1 22 22 PHE CE1 C 13 130.711 0.300 . 1 . . . . 22 PHE CE1 . 10179 1 167 . 1 1 22 22 PHE HE1 H 1 6.802 0.030 . 1 . . . . 22 PHE HE1 . 10179 1 168 . 1 1 22 22 PHE CE2 C 13 130.711 0.300 . 1 . . . . 22 PHE CE2 . 10179 1 169 . 1 1 22 22 PHE HE2 H 1 6.802 0.030 . 1 . . . . 22 PHE HE2 . 10179 1 170 . 1 1 22 22 PHE CZ C 13 128.624 0.300 . 1 . . . . 22 PHE CZ . 10179 1 171 . 1 1 22 22 PHE HZ H 1 6.076 0.030 . 1 . . . . 22 PHE HZ . 10179 1 172 . 1 1 22 22 PHE C C 13 175.473 0.300 . 1 . . . . 22 PHE C . 10179 1 173 . 1 1 22 22 PHE HB2 H 1 2.702 0.030 . 2 . . . . 22 PHE HB2 . 10179 1 174 . 1 1 23 23 LYS CA C 13 58.582 0.300 . 1 . . . . 23 LYS CA . 10179 1 175 . 1 1 23 23 LYS HA H 1 4.413 0.030 . 1 . . . . 23 LYS HA . 10179 1 176 . 1 1 23 23 LYS CB C 13 34.037 0.300 . 1 . . . . 23 LYS CB . 10179 1 177 . 1 1 23 23 LYS HB3 H 1 2.087 0.030 . 2 . . . . 23 LYS HB3 . 10179 1 178 . 1 1 23 23 LYS CG C 13 25.765 0.300 . 1 . . . . 23 LYS CG . 10179 1 179 . 1 1 23 23 LYS HG3 H 1 1.580 0.030 . 2 . . . . 23 LYS HG3 . 10179 1 180 . 1 1 23 23 LYS CD C 13 29.263 0.300 . 1 . . . . 23 LYS CD . 10179 1 181 . 1 1 23 23 LYS HD3 H 1 1.770 0.030 . 1 . . . . 23 LYS HD3 . 10179 1 182 . 1 1 23 23 LYS CE C 13 42.146 0.300 . 1 . . . . 23 LYS CE . 10179 1 183 . 1 1 23 23 LYS HE3 H 1 3.027 0.030 . 1 . . . . 23 LYS HE3 . 10179 1 184 . 1 1 23 23 LYS C C 13 176.876 0.300 . 1 . . . . 23 LYS C . 10179 1 185 . 1 1 23 23 LYS HB2 H 1 2.018 0.030 . 2 . . . . 23 LYS HB2 . 10179 1 186 . 1 1 23 23 LYS HD2 H 1 1.770 0.030 . 1 . . . . 23 LYS HD2 . 10179 1 187 . 1 1 23 23 LYS HE2 H 1 3.027 0.030 . 1 . . . . 23 LYS HE2 . 10179 1 188 . 1 1 23 23 LYS HG2 H 1 1.661 0.030 . 2 . . . . 23 LYS HG2 . 10179 1 189 . 1 1 24 24 THR N N 15 119.640 0.300 . 1 . . . . 24 THR N . 10179 1 190 . 1 1 24 24 THR H H 1 7.250 0.030 . 1 . . . . 24 THR H . 10179 1 191 . 1 1 24 24 THR CA C 13 58.320 0.300 . 1 . . . . 24 THR CA . 10179 1 192 . 1 1 24 24 THR HA H 1 4.696 0.030 . 1 . . . . 24 THR HA . 10179 1 193 . 1 1 24 24 THR CB C 13 72.705 0.300 . 1 . . . . 24 THR CB . 10179 1 194 . 1 1 24 24 THR HB H 1 4.474 0.030 . 1 . . . . 24 THR HB . 10179 1 195 . 1 1 24 24 THR CG2 C 13 21.761 0.300 . 1 . . . . 24 THR CG2 . 10179 1 196 . 1 1 24 24 THR HG21 H 1 1.244 0.030 . 1 . . . . 24 THR HG2 . 10179 1 197 . 1 1 24 24 THR HG22 H 1 1.244 0.030 . 1 . . . . 24 THR HG2 . 10179 1 198 . 1 1 24 24 THR HG23 H 1 1.244 0.030 . 1 . . . . 24 THR HG2 . 10179 1 199 . 1 1 24 24 THR C C 13 173.538 0.300 . 1 . . . . 24 THR C . 10179 1 200 . 1 1 25 25 LYS N N 15 123.935 0.300 . 1 . . . . 25 LYS N . 10179 1 201 . 1 1 25 25 LYS H H 1 8.309 0.030 . 1 . . . . 25 LYS H . 10179 1 202 . 1 1 25 25 LYS CA C 13 58.948 0.300 . 1 . . . . 25 LYS CA . 10179 1 203 . 1 1 25 25 LYS HA H 1 3.190 0.030 . 1 . . . . 25 LYS HA . 10179 1 204 . 1 1 25 25 LYS CB C 13 31.814 0.300 . 1 . . . . 25 LYS CB . 10179 1 205 . 1 1 25 25 LYS HB3 H 1 1.317 0.030 . 2 . . . . 25 LYS HB3 . 10179 1 206 . 1 1 25 25 LYS CG C 13 24.897 0.300 . 1 . . . . 25 LYS CG . 10179 1 207 . 1 1 25 25 LYS HG3 H 1 1.157 0.030 . 2 . . . . 25 LYS HG3 . 10179 1 208 . 1 1 25 25 LYS CD C 13 29.303 0.300 . 1 . . . . 25 LYS CD . 10179 1 209 . 1 1 25 25 LYS HD3 H 1 1.625 0.030 . 2 . . . . 25 LYS HD3 . 10179 1 210 . 1 1 25 25 LYS CE C 13 42.199 0.300 . 1 . . . . 25 LYS CE . 10179 1 211 . 1 1 25 25 LYS C C 13 178.575 0.300 . 1 . . . . 25 LYS C . 10179 1 212 . 1 1 25 25 LYS HB2 H 1 1.595 0.030 . 2 . . . . 25 LYS HB2 . 10179 1 213 . 1 1 25 25 LYS HD2 H 1 1.665 0.030 . 2 . . . . 25 LYS HD2 . 10179 1 214 . 1 1 25 25 LYS HE2 H 1 2.993 0.030 . 2 . . . . 25 LYS HE2 . 10179 1 215 . 1 1 25 25 LYS HG2 H 1 1.240 0.030 . 2 . . . . 25 LYS HG2 . 10179 1 216 . 1 1 26 26 SER N N 15 112.737 0.300 . 1 . . . . 26 SER N . 10179 1 217 . 1 1 26 26 SER H H 1 8.378 0.030 . 1 . . . . 26 SER H . 10179 1 218 . 1 1 26 26 SER CA C 13 61.462 0.300 . 1 . . . . 26 SER CA . 10179 1 219 . 1 1 26 26 SER HA H 1 4.001 0.030 . 1 . . . . 26 SER HA . 10179 1 220 . 1 1 26 26 SER CB C 13 61.997 0.300 . 1 . . . . 26 SER CB . 10179 1 221 . 1 1 26 26 SER HB3 H 1 3.841 0.030 . 1 . . . . 26 SER HB3 . 10179 1 222 . 1 1 26 26 SER C C 13 177.274 0.300 . 1 . . . . 26 SER C . 10179 1 223 . 1 1 26 26 SER HB2 H 1 3.841 0.030 . 1 . . . . 26 SER HB2 . 10179 1 224 . 1 1 27 27 SER N N 15 117.990 0.300 . 1 . . . . 27 SER N . 10179 1 225 . 1 1 27 27 SER H H 1 7.774 0.030 . 1 . . . . 27 SER H . 10179 1 226 . 1 1 27 27 SER CA C 13 61.787 0.300 . 1 . . . . 27 SER CA . 10179 1 227 . 1 1 27 27 SER HA H 1 4.157 0.030 . 1 . . . . 27 SER HA . 10179 1 228 . 1 1 27 27 SER CB C 13 62.739 0.300 . 1 . . . . 27 SER CB . 10179 1 229 . 1 1 27 27 SER HB3 H 1 4.009 0.030 . 2 . . . . 27 SER HB3 . 10179 1 230 . 1 1 27 27 SER C C 13 176.731 0.300 . 1 . . . . 27 SER C . 10179 1 231 . 1 1 27 27 SER HB2 H 1 3.935 0.030 . 2 . . . . 27 SER HB2 . 10179 1 232 . 1 1 28 28 LEU N N 15 125.136 0.300 . 1 . . . . 28 LEU N . 10179 1 233 . 1 1 28 28 LEU H H 1 7.236 0.030 . 1 . . . . 28 LEU H . 10179 1 234 . 1 1 28 28 LEU CA C 13 58.242 0.300 . 1 . . . . 28 LEU CA . 10179 1 235 . 1 1 28 28 LEU HA H 1 3.274 0.030 . 1 . . . . 28 LEU HA . 10179 1 236 . 1 1 28 28 LEU CB C 13 40.574 0.300 . 1 . . . . 28 LEU CB . 10179 1 237 . 1 1 28 28 LEU HB3 H 1 1.344 0.030 . 2 . . . . 28 LEU HB3 . 10179 1 238 . 1 1 28 28 LEU CG C 13 27.695 0.300 . 1 . . . . 28 LEU CG . 10179 1 239 . 1 1 28 28 LEU HG H 1 1.465 0.030 . 1 . . . . 28 LEU HG . 10179 1 240 . 1 1 28 28 LEU CD1 C 13 26.495 0.300 . 2 . . . . 28 LEU CD1 . 10179 1 241 . 1 1 28 28 LEU HD11 H 1 1.048 0.030 . 1 . . . . 28 LEU HD1 . 10179 1 242 . 1 1 28 28 LEU HD12 H 1 1.048 0.030 . 1 . . . . 28 LEU HD1 . 10179 1 243 . 1 1 28 28 LEU HD13 H 1 1.048 0.030 . 1 . . . . 28 LEU HD1 . 10179 1 244 . 1 1 28 28 LEU CD2 C 13 22.717 0.300 . 2 . . . . 28 LEU CD2 . 10179 1 245 . 1 1 28 28 LEU HD21 H 1 0.966 0.030 . 1 . . . . 28 LEU HD2 . 10179 1 246 . 1 1 28 28 LEU HD22 H 1 0.966 0.030 . 1 . . . . 28 LEU HD2 . 10179 1 247 . 1 1 28 28 LEU HD23 H 1 0.966 0.030 . 1 . . . . 28 LEU HD2 . 10179 1 248 . 1 1 28 28 LEU C C 13 177.489 0.300 . 1 . . . . 28 LEU C . 10179 1 249 . 1 1 28 28 LEU HB2 H 1 2.096 0.030 . 2 . . . . 28 LEU HB2 . 10179 1 250 . 1 1 29 29 ILE N N 15 120.340 0.300 . 1 . . . . 29 ILE N . 10179 1 251 . 1 1 29 29 ILE H H 1 8.396 0.030 . 1 . . . . 29 ILE H . 10179 1 252 . 1 1 29 29 ILE CA C 13 65.377 0.300 . 1 . . . . 29 ILE CA . 10179 1 253 . 1 1 29 29 ILE HA H 1 3.486 0.030 . 1 . . . . 29 ILE HA . 10179 1 254 . 1 1 29 29 ILE CB C 13 37.558 0.300 . 1 . . . . 29 ILE CB . 10179 1 255 . 1 1 29 29 ILE HB H 1 1.862 0.030 . 1 . . . . 29 ILE HB . 10179 1 256 . 1 1 29 29 ILE CG1 C 13 29.175 0.300 . 1 . . . . 29 ILE CG1 . 10179 1 257 . 1 1 29 29 ILE HG13 H 1 1.610 0.030 . 2 . . . . 29 ILE HG13 . 10179 1 258 . 1 1 29 29 ILE CG2 C 13 17.024 0.300 . 1 . . . . 29 ILE CG2 . 10179 1 259 . 1 1 29 29 ILE HG21 H 1 0.867 0.030 . 1 . . . . 29 ILE HG2 . 10179 1 260 . 1 1 29 29 ILE HG22 H 1 0.867 0.030 . 1 . . . . 29 ILE HG2 . 10179 1 261 . 1 1 29 29 ILE HG23 H 1 0.867 0.030 . 1 . . . . 29 ILE HG2 . 10179 1 262 . 1 1 29 29 ILE CD1 C 13 13.040 0.300 . 1 . . . . 29 ILE CD1 . 10179 1 263 . 1 1 29 29 ILE HD11 H 1 0.781 0.030 . 1 . . . . 29 ILE HD1 . 10179 1 264 . 1 1 29 29 ILE HD12 H 1 0.781 0.030 . 1 . . . . 29 ILE HD1 . 10179 1 265 . 1 1 29 29 ILE HD13 H 1 0.781 0.030 . 1 . . . . 29 ILE HD1 . 10179 1 266 . 1 1 29 29 ILE C C 13 178.945 0.300 . 1 . . . . 29 ILE C . 10179 1 267 . 1 1 29 29 ILE HG12 H 1 1.174 0.030 . 2 . . . . 29 ILE HG12 . 10179 1 268 . 1 1 30 30 CYS N N 15 117.810 0.300 . 1 . . . . 30 CYS N . 10179 1 269 . 1 1 30 30 CYS H H 1 7.813 0.030 . 1 . . . . 30 CYS H . 10179 1 270 . 1 1 30 30 CYS CA C 13 62.779 0.300 . 1 . . . . 30 CYS CA . 10179 1 271 . 1 1 30 30 CYS HA H 1 3.983 0.030 . 1 . . . . 30 CYS HA . 10179 1 272 . 1 1 30 30 CYS CB C 13 26.511 0.300 . 1 . . . . 30 CYS CB . 10179 1 273 . 1 1 30 30 CYS HB3 H 1 2.894 0.030 . 1 . . . . 30 CYS HB3 . 10179 1 274 . 1 1 30 30 CYS C C 13 177.558 0.300 . 1 . . . . 30 CYS C . 10179 1 275 . 1 1 30 30 CYS HB2 H 1 2.894 0.030 . 1 . . . . 30 CYS HB2 . 10179 1 276 . 1 1 31 31 HIS N N 15 119.264 0.300 . 1 . . . . 31 HIS N . 10179 1 277 . 1 1 31 31 HIS H H 1 7.738 0.030 . 1 . . . . 31 HIS H . 10179 1 278 . 1 1 31 31 HIS CA C 13 59.109 0.300 . 1 . . . . 31 HIS CA . 10179 1 279 . 1 1 31 31 HIS HA H 1 4.203 0.030 . 1 . . . . 31 HIS HA . 10179 1 280 . 1 1 31 31 HIS CB C 13 28.121 0.300 . 1 . . . . 31 HIS CB . 10179 1 281 . 1 1 31 31 HIS HB3 H 1 2.745 0.030 . 2 . . . . 31 HIS HB3 . 10179 1 282 . 1 1 31 31 HIS CD2 C 13 127.585 0.300 . 1 . . . . 31 HIS CD2 . 10179 1 283 . 1 1 31 31 HIS HD2 H 1 6.839 0.030 . 1 . . . . 31 HIS HD2 . 10179 1 284 . 1 1 31 31 HIS CE1 C 13 139.471 0.300 . 1 . . . . 31 HIS CE1 . 10179 1 285 . 1 1 31 31 HIS HE1 H 1 7.991 0.030 . 1 . . . . 31 HIS HE1 . 10179 1 286 . 1 1 31 31 HIS C C 13 177.945 0.300 . 1 . . . . 31 HIS C . 10179 1 287 . 1 1 31 31 HIS HB2 H 1 2.954 0.030 . 2 . . . . 31 HIS HB2 . 10179 1 288 . 1 1 32 32 ARG N N 15 120.501 0.300 . 1 . . . . 32 ARG N . 10179 1 289 . 1 1 32 32 ARG H H 1 8.745 0.030 . 1 . . . . 32 ARG H . 10179 1 290 . 1 1 32 32 ARG CA C 13 60.292 0.300 . 1 . . . . 32 ARG CA . 10179 1 291 . 1 1 32 32 ARG HA H 1 3.640 0.030 . 1 . . . . 32 ARG HA . 10179 1 292 . 1 1 32 32 ARG CB C 13 29.469 0.300 . 1 . . . . 32 ARG CB . 10179 1 293 . 1 1 32 32 ARG HB3 H 1 2.095 0.030 . 2 . . . . 32 ARG HB3 . 10179 1 294 . 1 1 32 32 ARG CG C 13 28.644 0.300 . 1 . . . . 32 ARG CG . 10179 1 295 . 1 1 32 32 ARG HG3 H 1 2.112 0.030 . 1 . . . . 32 ARG HG3 . 10179 1 296 . 1 1 32 32 ARG CD C 13 43.472 0.300 . 1 . . . . 32 ARG CD . 10179 1 297 . 1 1 32 32 ARG HD3 H 1 3.515 0.030 . 2 . . . . 32 ARG HD3 . 10179 1 298 . 1 1 32 32 ARG C C 13 178.129 0.300 . 1 . . . . 32 ARG C . 10179 1 299 . 1 1 32 32 ARG HB2 H 1 1.938 0.030 . 2 . . . . 32 ARG HB2 . 10179 1 300 . 1 1 32 32 ARG HD2 H 1 3.269 0.030 . 2 . . . . 32 ARG HD2 . 10179 1 301 . 1 1 32 32 ARG HG2 H 1 2.112 0.030 . 1 . . . . 32 ARG HG2 . 10179 1 302 . 1 1 33 33 ARG N N 15 117.976 0.300 . 1 . . . . 33 ARG N . 10179 1 303 . 1 1 33 33 ARG H H 1 7.283 0.030 . 1 . . . . 33 ARG H . 10179 1 304 . 1 1 33 33 ARG CA C 13 58.703 0.300 . 1 . . . . 33 ARG CA . 10179 1 305 . 1 1 33 33 ARG HA H 1 4.154 0.030 . 1 . . . . 33 ARG HA . 10179 1 306 . 1 1 33 33 ARG CB C 13 29.814 0.300 . 1 . . . . 33 ARG CB . 10179 1 307 . 1 1 33 33 ARG HB3 H 1 1.908 0.030 . 2 . . . . 33 ARG HB3 . 10179 1 308 . 1 1 33 33 ARG CG C 13 27.919 0.300 . 1 . . . . 33 ARG CG . 10179 1 309 . 1 1 33 33 ARG HG3 H 1 1.648 0.030 . 2 . . . . 33 ARG HG3 . 10179 1 310 . 1 1 33 33 ARG CD C 13 43.596 0.300 . 1 . . . . 33 ARG CD . 10179 1 311 . 1 1 33 33 ARG HD3 H 1 3.202 0.030 . 1 . . . . 33 ARG HD3 . 10179 1 312 . 1 1 33 33 ARG C C 13 177.957 0.300 . 1 . . . . 33 ARG C . 10179 1 313 . 1 1 33 33 ARG HB2 H 1 1.859 0.030 . 2 . . . . 33 ARG HB2 . 10179 1 314 . 1 1 33 33 ARG HD2 H 1 3.202 0.030 . 1 . . . . 33 ARG HD2 . 10179 1 315 . 1 1 33 33 ARG HG2 H 1 1.868 0.030 . 2 . . . . 33 ARG HG2 . 10179 1 316 . 1 1 34 34 SER N N 15 113.862 0.300 . 1 . . . . 34 SER N . 10179 1 317 . 1 1 34 34 SER H H 1 7.841 0.030 . 1 . . . . 34 SER H . 10179 1 318 . 1 1 34 34 SER CA C 13 60.492 0.300 . 1 . . . . 34 SER CA . 10179 1 319 . 1 1 34 34 SER HA H 1 4.210 0.030 . 1 . . . . 34 SER HA . 10179 1 320 . 1 1 34 34 SER CB C 13 63.284 0.300 . 1 . . . . 34 SER CB . 10179 1 321 . 1 1 34 34 SER HB3 H 1 3.797 0.030 . 2 . . . . 34 SER HB3 . 10179 1 322 . 1 1 34 34 SER C C 13 175.028 0.300 . 1 . . . . 34 SER C . 10179 1 323 . 1 1 34 34 SER HB2 H 1 3.702 0.030 . 2 . . . . 34 SER HB2 . 10179 1 324 . 1 1 35 35 HIS N N 15 119.288 0.300 . 1 . . . . 35 HIS N . 10179 1 325 . 1 1 35 35 HIS H H 1 7.313 0.030 . 1 . . . . 35 HIS H . 10179 1 326 . 1 1 35 35 HIS CA C 13 55.647 0.300 . 1 . . . . 35 HIS CA . 10179 1 327 . 1 1 35 35 HIS HA H 1 4.865 0.030 . 1 . . . . 35 HIS HA . 10179 1 328 . 1 1 35 35 HIS CB C 13 28.882 0.300 . 1 . . . . 35 HIS CB . 10179 1 329 . 1 1 35 35 HIS HB3 H 1 3.310 0.030 . 2 . . . . 35 HIS HB3 . 10179 1 330 . 1 1 35 35 HIS CD2 C 13 127.039 0.300 . 1 . . . . 35 HIS CD2 . 10179 1 331 . 1 1 35 35 HIS HD2 H 1 6.625 0.030 . 1 . . . . 35 HIS HD2 . 10179 1 332 . 1 1 35 35 HIS CE1 C 13 139.871 0.300 . 1 . . . . 35 HIS CE1 . 10179 1 333 . 1 1 35 35 HIS HE1 H 1 7.996 0.030 . 1 . . . . 35 HIS HE1 . 10179 1 334 . 1 1 35 35 HIS C C 13 175.603 0.300 . 1 . . . . 35 HIS C . 10179 1 335 . 1 1 35 35 HIS HB2 H 1 3.162 0.030 . 2 . . . . 35 HIS HB2 . 10179 1 336 . 1 1 36 36 THR N N 15 112.427 0.300 . 1 . . . . 36 THR N . 10179 1 337 . 1 1 36 36 THR H H 1 7.846 0.030 . 1 . . . . 36 THR H . 10179 1 338 . 1 1 36 36 THR CA C 13 62.411 0.300 . 1 . . . . 36 THR CA . 10179 1 339 . 1 1 36 36 THR HA H 1 4.372 0.030 . 1 . . . . 36 THR HA . 10179 1 340 . 1 1 36 36 THR CB C 13 69.891 0.300 . 1 . . . . 36 THR CB . 10179 1 341 . 1 1 36 36 THR HB H 1 4.327 0.030 . 1 . . . . 36 THR HB . 10179 1 342 . 1 1 36 36 THR CG2 C 13 21.509 0.300 . 1 . . . . 36 THR CG2 . 10179 1 343 . 1 1 36 36 THR HG21 H 1 1.217 0.030 . 1 . . . . 36 THR HG2 . 10179 1 344 . 1 1 36 36 THR HG22 H 1 1.217 0.030 . 1 . . . . 36 THR HG2 . 10179 1 345 . 1 1 36 36 THR HG23 H 1 1.217 0.030 . 1 . . . . 36 THR HG2 . 10179 1 346 . 1 1 36 36 THR C C 13 175.363 0.300 . 1 . . . . 36 THR C . 10179 1 347 . 1 1 37 37 GLY N N 15 110.984 0.300 . 1 . . . . 37 GLY N . 10179 1 348 . 1 1 37 37 GLY H H 1 8.339 0.030 . 1 . . . . 37 GLY H . 10179 1 349 . 1 1 37 37 GLY CA C 13 45.387 0.300 . 1 . . . . 37 GLY CA . 10179 1 350 . 1 1 37 37 GLY HA3 H 1 3.971 0.030 . 1 . . . . 37 GLY HA3 . 10179 1 351 . 1 1 37 37 GLY C C 13 174.048 0.300 . 1 . . . . 37 GLY C . 10179 1 352 . 1 1 37 37 GLY HA2 H 1 3.971 0.030 . 1 . . . . 37 GLY HA2 . 10179 1 353 . 1 1 38 38 GLU N N 15 120.632 0.300 . 1 . . . . 38 GLU N . 10179 1 354 . 1 1 38 38 GLU H H 1 8.114 0.030 . 1 . . . . 38 GLU H . 10179 1 355 . 1 1 38 38 GLU CA C 13 56.455 0.300 . 1 . . . . 38 GLU CA . 10179 1 356 . 1 1 38 38 GLU HA H 1 4.249 0.030 . 1 . . . . 38 GLU HA . 10179 1 357 . 1 1 38 38 GLU CB C 13 30.579 0.300 . 1 . . . . 38 GLU CB . 10179 1 358 . 1 1 38 38 GLU HB3 H 1 1.909 0.030 . 2 . . . . 38 GLU HB3 . 10179 1 359 . 1 1 38 38 GLU CG C 13 36.276 0.300 . 1 . . . . 38 GLU CG . 10179 1 360 . 1 1 38 38 GLU HG3 H 1 2.265 0.030 . 2 . . . . 38 GLU HG3 . 10179 1 361 . 1 1 38 38 GLU C C 13 176.214 0.300 . 1 . . . . 38 GLU C . 10179 1 362 . 1 1 38 38 GLU HB2 H 1 1.994 0.030 . 2 . . . . 38 GLU HB2 . 10179 1 363 . 1 1 38 38 GLU HG2 H 1 2.229 0.030 . 2 . . . . 38 GLU HG2 . 10179 1 364 . 1 1 39 39 LYS N N 15 123.848 0.300 . 1 . . . . 39 LYS N . 10179 1 365 . 1 1 39 39 LYS H H 1 8.429 0.030 . 1 . . . . 39 LYS H . 10179 1 366 . 1 1 39 39 LYS CA C 13 54.125 0.300 . 1 . . . . 39 LYS CA . 10179 1 367 . 1 1 39 39 LYS HA H 1 4.610 0.030 . 1 . . . . 39 LYS HA . 10179 1 368 . 1 1 39 39 LYS CB C 13 32.513 0.300 . 1 . . . . 39 LYS CB . 10179 1 369 . 1 1 39 39 LYS HB3 H 1 1.819 0.030 . 2 . . . . 39 LYS HB3 . 10179 1 370 . 1 1 39 39 LYS CG C 13 24.510 0.300 . 1 . . . . 39 LYS CG . 10179 1 371 . 1 1 39 39 LYS HG3 H 1 1.469 0.030 . 1 . . . . 39 LYS HG3 . 10179 1 372 . 1 1 39 39 LYS CD C 13 29.152 0.300 . 1 . . . . 39 LYS CD . 10179 1 373 . 1 1 39 39 LYS HD3 H 1 1.686 0.030 . 1 . . . . 39 LYS HD3 . 10179 1 374 . 1 1 39 39 LYS CE C 13 42.316 0.300 . 1 . . . . 39 LYS CE . 10179 1 375 . 1 1 39 39 LYS HE3 H 1 3.015 0.030 . 1 . . . . 39 LYS HE3 . 10179 1 376 . 1 1 39 39 LYS C C 13 174.488 0.300 . 1 . . . . 39 LYS C . 10179 1 377 . 1 1 39 39 LYS HB2 H 1 1.730 0.030 . 2 . . . . 39 LYS HB2 . 10179 1 378 . 1 1 39 39 LYS HD2 H 1 1.686 0.030 . 1 . . . . 39 LYS HD2 . 10179 1 379 . 1 1 39 39 LYS HE2 H 1 3.015 0.030 . 1 . . . . 39 LYS HE2 . 10179 1 380 . 1 1 39 39 LYS HG2 H 1 1.469 0.030 . 1 . . . . 39 LYS HG2 . 10179 1 381 . 1 1 40 40 PRO CA C 13 63.239 0.300 . 1 . . . . 40 PRO CA . 10179 1 382 . 1 1 40 40 PRO HA H 1 4.464 0.030 . 1 . . . . 40 PRO HA . 10179 1 383 . 1 1 40 40 PRO CB C 13 32.143 0.300 . 1 . . . . 40 PRO CB . 10179 1 384 . 1 1 40 40 PRO HB3 H 1 1.943 0.030 . 2 . . . . 40 PRO HB3 . 10179 1 385 . 1 1 40 40 PRO CG C 13 27.504 0.300 . 1 . . . . 40 PRO CG . 10179 1 386 . 1 1 40 40 PRO HG3 H 1 2.020 0.030 . 1 . . . . 40 PRO HG3 . 10179 1 387 . 1 1 40 40 PRO CD C 13 50.699 0.300 . 1 . . . . 40 PRO CD . 10179 1 388 . 1 1 40 40 PRO HD3 H 1 3.646 0.030 . 2 . . . . 40 PRO HD3 . 10179 1 389 . 1 1 40 40 PRO HB2 H 1 2.320 0.030 . 2 . . . . 40 PRO HB2 . 10179 1 390 . 1 1 40 40 PRO HD2 H 1 3.820 0.030 . 2 . . . . 40 PRO HD2 . 10179 1 391 . 1 1 40 40 PRO HG2 H 1 2.020 0.030 . 1 . . . . 40 PRO HG2 . 10179 1 392 . 1 1 43 43 PRO CA C 13 63.278 0.300 . 1 . . . . 43 PRO CA . 10179 1 393 . 1 1 43 43 PRO HA H 1 4.481 0.030 . 1 . . . . 43 PRO HA . 10179 1 394 . 1 1 43 43 PRO CB C 13 32.178 0.300 . 1 . . . . 43 PRO CB . 10179 1 395 . 1 1 43 43 PRO HB3 H 1 2.305 0.030 . 1 . . . . 43 PRO HB3 . 10179 1 396 . 1 1 43 43 PRO CG C 13 27.178 0.300 . 1 . . . . 43 PRO CG . 10179 1 397 . 1 1 43 43 PRO HG3 H 1 2.019 0.030 . 1 . . . . 43 PRO HG3 . 10179 1 398 . 1 1 43 43 PRO CD C 13 49.810 0.300 . 1 . . . . 43 PRO CD . 10179 1 399 . 1 1 43 43 PRO HD3 H 1 3.630 0.030 . 1 . . . . 43 PRO HD3 . 10179 1 400 . 1 1 43 43 PRO HB2 H 1 2.305 0.030 . 1 . . . . 43 PRO HB2 . 10179 1 401 . 1 1 43 43 PRO HD2 H 1 3.630 0.030 . 1 . . . . 43 PRO HD2 . 10179 1 402 . 1 1 43 43 PRO HG2 H 1 2.019 0.030 . 1 . . . . 43 PRO HG2 . 10179 1 403 . 1 1 45 45 SER CA C 13 58.395 0.300 . 1 . . . . 45 SER CA . 10179 1 404 . 1 1 45 45 SER HA H 1 4.459 0.030 . 1 . . . . 45 SER HA . 10179 1 405 . 1 1 45 45 SER CB C 13 64.014 0.300 . 1 . . . . 45 SER CB . 10179 1 406 . 1 1 45 45 SER HB3 H 1 3.891 0.030 . 1 . . . . 45 SER HB3 . 10179 1 407 . 1 1 45 45 SER C C 13 173.893 0.300 . 1 . . . . 45 SER C . 10179 1 408 . 1 1 45 45 SER HB2 H 1 3.891 0.030 . 1 . . . . 45 SER HB2 . 10179 1 409 . 1 1 46 46 GLY N N 15 116.853 0.300 . 1 . . . . 46 GLY N . 10179 1 410 . 1 1 46 46 GLY H H 1 8.041 0.030 . 1 . . . . 46 GLY H . 10179 1 411 . 1 1 46 46 GLY C C 13 178.958 0.300 . 1 . . . . 46 GLY C . 10179 1 stop_ save_