################################### # 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 10152 _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 10152 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10152 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 7 7 GLY CA C 13 45.465 0.300 . 1 . . . . 7 GLY CA . 10152 1 2 . 1 1 7 7 GLY HA3 H 1 4.004 0.030 . 1 . . . . 7 GLY HA3 . 10152 1 3 . 1 1 7 7 GLY C C 13 174.505 0.300 . 1 . . . . 7 GLY C . 10152 1 4 . 1 1 7 7 GLY HA2 H 1 4.004 0.030 . 1 . . . . 7 GLY HA2 . 10152 1 5 . 1 1 8 8 THR N N 15 112.992 0.300 . 1 . . . . 8 THR N . 10152 1 6 . 1 1 8 8 THR H H 1 8.116 0.030 . 1 . . . . 8 THR H . 10152 1 7 . 1 1 8 8 THR CA C 13 62.003 0.300 . 1 . . . . 8 THR CA . 10152 1 8 . 1 1 8 8 THR HA H 1 4.339 0.030 . 1 . . . . 8 THR HA . 10152 1 9 . 1 1 8 8 THR CB C 13 69.816 0.300 . 1 . . . . 8 THR CB . 10152 1 10 . 1 1 8 8 THR HB H 1 4.286 0.030 . 1 . . . . 8 THR HB . 10152 1 11 . 1 1 8 8 THR CG2 C 13 21.560 0.300 . 1 . . . . 8 THR CG2 . 10152 1 12 . 1 1 8 8 THR HG21 H 1 1.158 0.030 . 1 . . . . 8 THR HG2 . 10152 1 13 . 1 1 8 8 THR HG22 H 1 1.158 0.030 . 1 . . . . 8 THR HG2 . 10152 1 14 . 1 1 8 8 THR HG23 H 1 1.158 0.030 . 1 . . . . 8 THR HG2 . 10152 1 15 . 1 1 8 8 THR C C 13 175.226 0.300 . 1 . . . . 8 THR C . 10152 1 16 . 1 1 9 9 GLY N N 15 110.864 0.300 . 1 . . . . 9 GLY N . 10152 1 17 . 1 1 9 9 GLY H H 1 8.444 0.030 . 1 . . . . 9 GLY H . 10152 1 18 . 1 1 9 9 GLY CA C 13 45.365 0.300 . 1 . . . . 9 GLY CA . 10152 1 19 . 1 1 9 9 GLY HA3 H 1 3.928 0.030 . 1 . . . . 9 GLY HA3 . 10152 1 20 . 1 1 9 9 GLY C C 13 174.085 0.300 . 1 . . . . 9 GLY C . 10152 1 21 . 1 1 9 9 GLY HA2 H 1 3.928 0.030 . 1 . . . . 9 GLY HA2 . 10152 1 22 . 1 1 10 10 MET N N 15 119.413 0.300 . 1 . . . . 10 MET N . 10152 1 23 . 1 1 10 10 MET H H 1 8.136 0.030 . 1 . . . . 10 MET H . 10152 1 24 . 1 1 10 10 MET CA C 13 55.711 0.300 . 1 . . . . 10 MET CA . 10152 1 25 . 1 1 10 10 MET HA H 1 4.375 0.030 . 1 . . . . 10 MET HA . 10152 1 26 . 1 1 10 10 MET CB C 13 32.785 0.300 . 1 . . . . 10 MET CB . 10152 1 27 . 1 1 10 10 MET HB3 H 1 1.988 0.030 . 1 . . . . 10 MET HB3 . 10152 1 28 . 1 1 10 10 MET CG C 13 32.066 0.300 . 1 . . . . 10 MET CG . 10152 1 29 . 1 1 10 10 MET HG3 H 1 2.564 0.030 . 2 . . . . 10 MET HG3 . 10152 1 30 . 1 1 10 10 MET CE C 13 17.130 0.300 . 1 . . . . 10 MET CE . 10152 1 31 . 1 1 10 10 MET HE1 H 1 2.074 0.030 . 1 . . . . 10 MET HE . 10152 1 32 . 1 1 10 10 MET HE2 H 1 2.074 0.030 . 1 . . . . 10 MET HE . 10152 1 33 . 1 1 10 10 MET HE3 H 1 2.074 0.030 . 1 . . . . 10 MET HE . 10152 1 34 . 1 1 10 10 MET C C 13 176.047 0.300 . 1 . . . . 10 MET C . 10152 1 35 . 1 1 10 10 MET HB2 H 1 1.988 0.030 . 1 . . . . 10 MET HB2 . 10152 1 36 . 1 1 10 10 MET HG2 H 1 2.481 0.030 . 2 . . . . 10 MET HG2 . 10152 1 37 . 1 1 11 11 LYS N N 15 122.314 0.300 . 1 . . . . 11 LYS N . 10152 1 38 . 1 1 11 11 LYS H H 1 8.236 0.030 . 1 . . . . 11 LYS H . 10152 1 39 . 1 1 11 11 LYS CA C 13 53.843 0.300 . 1 . . . . 11 LYS CA . 10152 1 40 . 1 1 11 11 LYS HA H 1 4.511 0.030 . 1 . . . . 11 LYS HA . 10152 1 41 . 1 1 11 11 LYS CB C 13 32.984 0.300 . 1 . . . . 11 LYS CB . 10152 1 42 . 1 1 11 11 LYS HB3 H 1 1.452 0.030 . 2 . . . . 11 LYS HB3 . 10152 1 43 . 1 1 11 11 LYS CG C 13 24.947 0.300 . 1 . . . . 11 LYS CG . 10152 1 44 . 1 1 11 11 LYS HG3 H 1 1.124 0.030 . 2 . . . . 11 LYS HG3 . 10152 1 45 . 1 1 11 11 LYS CD C 13 29.433 0.300 . 1 . . . . 11 LYS CD . 10152 1 46 . 1 1 11 11 LYS HD3 H 1 1.505 0.030 . 1 . . . . 11 LYS HD3 . 10152 1 47 . 1 1 11 11 LYS CE C 13 42.225 0.300 . 1 . . . . 11 LYS CE . 10152 1 48 . 1 1 11 11 LYS HE3 H 1 2.892 0.030 . 1 . . . . 11 LYS HE3 . 10152 1 49 . 1 1 11 11 LYS C C 13 173.828 0.300 . 1 . . . . 11 LYS C . 10152 1 50 . 1 1 11 11 LYS HB2 H 1 1.555 0.030 . 2 . . . . 11 LYS HB2 . 10152 1 51 . 1 1 11 11 LYS HD2 H 1 1.505 0.030 . 1 . . . . 11 LYS HD2 . 10152 1 52 . 1 1 11 11 LYS HE2 H 1 2.892 0.030 . 1 . . . . 11 LYS HE2 . 10152 1 53 . 1 1 11 11 LYS HG2 H 1 1.314 0.030 . 2 . . . . 11 LYS HG2 . 10152 1 54 . 1 1 12 12 PRO CA C 13 63.240 0.300 . 1 . . . . 12 PRO CA . 10152 1 55 . 1 1 12 12 PRO HA H 1 4.296 0.030 . 1 . . . . 12 PRO HA . 10152 1 56 . 1 1 12 12 PRO CB C 13 32.231 0.300 . 1 . . . . 12 PRO CB . 10152 1 57 . 1 1 12 12 PRO HB3 H 1 1.996 0.030 . 2 . . . . 12 PRO HB3 . 10152 1 58 . 1 1 12 12 PRO CG C 13 26.716 0.300 . 1 . . . . 12 PRO CG . 10152 1 59 . 1 1 12 12 PRO HG3 H 1 1.608 0.030 . 2 . . . . 12 PRO HG3 . 10152 1 60 . 1 1 12 12 PRO CD C 13 50.116 0.300 . 1 . . . . 12 PRO CD . 10152 1 61 . 1 1 12 12 PRO HD3 H 1 3.598 0.030 . 1 . . . . 12 PRO HD3 . 10152 1 62 . 1 1 12 12 PRO C C 13 176.278 0.300 . 1 . . . . 12 PRO C . 10152 1 63 . 1 1 12 12 PRO HB2 H 1 1.329 0.030 . 2 . . . . 12 PRO HB2 . 10152 1 64 . 1 1 12 12 PRO HD2 H 1 3.598 0.030 . 1 . . . . 12 PRO HD2 . 10152 1 65 . 1 1 12 12 PRO HG2 H 1 1.793 0.030 . 2 . . . . 12 PRO HG2 . 10152 1 66 . 1 1 13 13 TYR N N 15 119.354 0.300 . 1 . . . . 13 TYR N . 10152 1 67 . 1 1 13 13 TYR H H 1 7.989 0.030 . 1 . . . . 13 TYR H . 10152 1 68 . 1 1 13 13 TYR CA C 13 57.665 0.300 . 1 . . . . 13 TYR CA . 10152 1 69 . 1 1 13 13 TYR HA H 1 4.568 0.030 . 1 . . . . 13 TYR HA . 10152 1 70 . 1 1 13 13 TYR CB C 13 38.332 0.300 . 1 . . . . 13 TYR CB . 10152 1 71 . 1 1 13 13 TYR HB3 H 1 2.831 0.030 . 2 . . . . 13 TYR HB3 . 10152 1 72 . 1 1 13 13 TYR CD1 C 13 132.890 0.300 . 1 . . . . 13 TYR CD1 . 10152 1 73 . 1 1 13 13 TYR HD1 H 1 7.017 0.030 . 1 . . . . 13 TYR HD1 . 10152 1 74 . 1 1 13 13 TYR CD2 C 13 132.890 0.300 . 1 . . . . 13 TYR CD2 . 10152 1 75 . 1 1 13 13 TYR HD2 H 1 7.017 0.030 . 1 . . . . 13 TYR HD2 . 10152 1 76 . 1 1 13 13 TYR CE1 C 13 118.379 0.300 . 1 . . . . 13 TYR CE1 . 10152 1 77 . 1 1 13 13 TYR HE1 H 1 6.864 0.030 . 1 . . . . 13 TYR HE1 . 10152 1 78 . 1 1 13 13 TYR CE2 C 13 118.379 0.300 . 1 . . . . 13 TYR CE2 . 10152 1 79 . 1 1 13 13 TYR HE2 H 1 6.864 0.030 . 1 . . . . 13 TYR HE2 . 10152 1 80 . 1 1 13 13 TYR C C 13 174.439 0.300 . 1 . . . . 13 TYR C . 10152 1 81 . 1 1 13 13 TYR HB2 H 1 2.910 0.030 . 2 . . . . 13 TYR HB2 . 10152 1 82 . 1 1 14 14 VAL N N 15 124.765 0.300 . 1 . . . . 14 VAL N . 10152 1 83 . 1 1 14 14 VAL H H 1 8.407 0.030 . 1 . . . . 14 VAL H . 10152 1 84 . 1 1 14 14 VAL CA C 13 61.341 0.300 . 1 . . . . 14 VAL CA . 10152 1 85 . 1 1 14 14 VAL HA H 1 4.583 0.030 . 1 . . . . 14 VAL HA . 10152 1 86 . 1 1 14 14 VAL CB C 13 34.420 0.300 . 1 . . . . 14 VAL CB . 10152 1 87 . 1 1 14 14 VAL HB H 1 1.826 0.030 . 1 . . . . 14 VAL HB . 10152 1 88 . 1 1 14 14 VAL CG1 C 13 20.976 0.300 . 2 . . . . 14 VAL CG1 . 10152 1 89 . 1 1 14 14 VAL HG11 H 1 0.725 0.030 . 1 . . . . 14 VAL HG1 . 10152 1 90 . 1 1 14 14 VAL HG12 H 1 0.725 0.030 . 1 . . . . 14 VAL HG1 . 10152 1 91 . 1 1 14 14 VAL HG13 H 1 0.725 0.030 . 1 . . . . 14 VAL HG1 . 10152 1 92 . 1 1 14 14 VAL CG2 C 13 21.605 0.300 . 2 . . . . 14 VAL CG2 . 10152 1 93 . 1 1 14 14 VAL HG21 H 1 0.792 0.030 . 1 . . . . 14 VAL HG2 . 10152 1 94 . 1 1 14 14 VAL HG22 H 1 0.792 0.030 . 1 . . . . 14 VAL HG2 . 10152 1 95 . 1 1 14 14 VAL HG23 H 1 0.792 0.030 . 1 . . . . 14 VAL HG2 . 10152 1 96 . 1 1 14 14 VAL C C 13 175.329 0.300 . 1 . . . . 14 VAL C . 10152 1 97 . 1 1 15 15 CYS N N 15 128.696 0.300 . 1 . . . . 15 CYS N . 10152 1 98 . 1 1 15 15 CYS H H 1 9.225 0.030 . 1 . . . . 15 CYS H . 10152 1 99 . 1 1 15 15 CYS CA C 13 59.512 0.300 . 1 . . . . 15 CYS CA . 10152 1 100 . 1 1 15 15 CYS HA H 1 4.512 0.030 . 1 . . . . 15 CYS HA . 10152 1 101 . 1 1 15 15 CYS CB C 13 29.777 0.300 . 1 . . . . 15 CYS CB . 10152 1 102 . 1 1 15 15 CYS HB3 H 1 2.888 0.030 . 2 . . . . 15 CYS HB3 . 10152 1 103 . 1 1 15 15 CYS C C 13 176.992 0.300 . 1 . . . . 15 CYS C . 10152 1 104 . 1 1 15 15 CYS HB2 H 1 3.411 0.030 . 2 . . . . 15 CYS HB2 . 10152 1 105 . 1 1 16 16 ASN N N 15 130.445 0.300 . 1 . . . . 16 ASN N . 10152 1 106 . 1 1 16 16 ASN H H 1 9.373 0.030 . 1 . . . . 16 ASN H . 10152 1 107 . 1 1 16 16 ASN CA C 13 55.598 0.300 . 1 . . . . 16 ASN CA . 10152 1 108 . 1 1 16 16 ASN HA H 1 4.521 0.030 . 1 . . . . 16 ASN HA . 10152 1 109 . 1 1 16 16 ASN CB C 13 38.593 0.300 . 1 . . . . 16 ASN CB . 10152 1 110 . 1 1 16 16 ASN HB3 H 1 2.874 0.030 . 1 . . . . 16 ASN HB3 . 10152 1 111 . 1 1 16 16 ASN ND2 N 15 113.394 0.300 . 1 . . . . 16 ASN ND2 . 10152 1 112 . 1 1 16 16 ASN HD21 H 1 7.704 0.030 . 2 . . . . 16 ASN HD21 . 10152 1 113 . 1 1 16 16 ASN HD22 H 1 6.976 0.030 . 2 . . . . 16 ASN HD22 . 10152 1 114 . 1 1 16 16 ASN C C 13 175.261 0.300 . 1 . . . . 16 ASN C . 10152 1 115 . 1 1 16 16 ASN HB2 H 1 2.874 0.030 . 1 . . . . 16 ASN HB2 . 10152 1 116 . 1 1 17 17 GLU N N 15 120.657 0.300 . 1 . . . . 17 GLU N . 10152 1 117 . 1 1 17 17 GLU H H 1 8.766 0.030 . 1 . . . . 17 GLU H . 10152 1 118 . 1 1 17 17 GLU CA C 13 58.253 0.300 . 1 . . . . 17 GLU CA . 10152 1 119 . 1 1 17 17 GLU HA H 1 4.225 0.030 . 1 . . . . 17 GLU HA . 10152 1 120 . 1 1 17 17 GLU CB C 13 29.552 0.300 . 1 . . . . 17 GLU CB . 10152 1 121 . 1 1 17 17 GLU HB3 H 1 1.379 0.030 . 1 . . . . 17 GLU HB3 . 10152 1 122 . 1 1 17 17 GLU CG C 13 35.385 0.300 . 1 . . . . 17 GLU CG . 10152 1 123 . 1 1 17 17 GLU HG3 H 1 1.736 0.030 . 2 . . . . 17 GLU HG3 . 10152 1 124 . 1 1 17 17 GLU C C 13 177.171 0.300 . 1 . . . . 17 GLU C . 10152 1 125 . 1 1 17 17 GLU HB2 H 1 1.379 0.030 . 1 . . . . 17 GLU HB2 . 10152 1 126 . 1 1 17 17 GLU HG2 H 1 1.868 0.030 . 2 . . . . 17 GLU HG2 . 10152 1 127 . 1 1 18 18 CYS N N 15 114.840 0.300 . 1 . . . . 18 CYS N . 10152 1 128 . 1 1 18 18 CYS H H 1 8.023 0.030 . 1 . . . . 18 CYS H . 10152 1 129 . 1 1 18 18 CYS CA C 13 58.322 0.300 . 1 . . . . 18 CYS CA . 10152 1 130 . 1 1 18 18 CYS HA H 1 5.169 0.030 . 1 . . . . 18 CYS HA . 10152 1 131 . 1 1 18 18 CYS CB C 13 32.619 0.300 . 1 . . . . 18 CYS CB . 10152 1 132 . 1 1 18 18 CYS HB3 H 1 2.851 0.030 . 2 . . . . 18 CYS HB3 . 10152 1 133 . 1 1 18 18 CYS C C 13 176.373 0.300 . 1 . . . . 18 CYS C . 10152 1 134 . 1 1 18 18 CYS HB2 H 1 3.435 0.030 . 2 . . . . 18 CYS HB2 . 10152 1 135 . 1 1 19 19 GLY N N 15 113.504 0.300 . 1 . . . . 19 GLY N . 10152 1 136 . 1 1 19 19 GLY H H 1 8.164 0.030 . 1 . . . . 19 GLY H . 10152 1 137 . 1 1 19 19 GLY CA C 13 46.263 0.300 . 1 . . . . 19 GLY CA . 10152 1 138 . 1 1 19 19 GLY HA3 H 1 4.177 0.030 . 2 . . . . 19 GLY HA3 . 10152 1 139 . 1 1 19 19 GLY C C 13 173.670 0.300 . 1 . . . . 19 GLY C . 10152 1 140 . 1 1 19 19 GLY HA2 H 1 3.743 0.030 . 2 . . . . 19 GLY HA2 . 10152 1 141 . 1 1 20 20 LYS N N 15 122.939 0.300 . 1 . . . . 20 LYS N . 10152 1 142 . 1 1 20 20 LYS H H 1 7.950 0.030 . 1 . . . . 20 LYS H . 10152 1 143 . 1 1 20 20 LYS CA C 13 58.169 0.300 . 1 . . . . 20 LYS CA . 10152 1 144 . 1 1 20 20 LYS HA H 1 3.947 0.030 . 1 . . . . 20 LYS HA . 10152 1 145 . 1 1 20 20 LYS CB C 13 33.712 0.300 . 1 . . . . 20 LYS CB . 10152 1 146 . 1 1 20 20 LYS HB3 H 1 1.251 0.030 . 2 . . . . 20 LYS HB3 . 10152 1 147 . 1 1 20 20 LYS CG C 13 26.428 0.300 . 1 . . . . 20 LYS CG . 10152 1 148 . 1 1 20 20 LYS HG3 H 1 1.473 0.030 . 2 . . . . 20 LYS HG3 . 10152 1 149 . 1 1 20 20 LYS CD C 13 29.496 0.300 . 1 . . . . 20 LYS CD . 10152 1 150 . 1 1 20 20 LYS HD3 H 1 1.486 0.030 . 2 . . . . 20 LYS HD3 . 10152 1 151 . 1 1 20 20 LYS CE C 13 42.235 0.300 . 1 . . . . 20 LYS CE . 10152 1 152 . 1 1 20 20 LYS HE3 H 1 2.932 0.030 . 2 . . . . 20 LYS HE3 . 10152 1 153 . 1 1 20 20 LYS C C 13 173.404 0.300 . 1 . . . . 20 LYS C . 10152 1 154 . 1 1 20 20 LYS HB2 H 1 1.407 0.030 . 2 . . . . 20 LYS HB2 . 10152 1 155 . 1 1 20 20 LYS HD2 H 1 1.535 0.030 . 2 . . . . 20 LYS HD2 . 10152 1 156 . 1 1 20 20 LYS HE2 H 1 2.983 0.030 . 2 . . . . 20 LYS HE2 . 10152 1 157 . 1 1 20 20 LYS HG2 H 1 1.113 0.030 . 2 . . . . 20 LYS HG2 . 10152 1 158 . 1 1 21 21 ALA N N 15 123.614 0.300 . 1 . . . . 21 ALA N . 10152 1 159 . 1 1 21 21 ALA H H 1 7.752 0.030 . 1 . . . . 21 ALA H . 10152 1 160 . 1 1 21 21 ALA CA C 13 50.174 0.300 . 1 . . . . 21 ALA CA . 10152 1 161 . 1 1 21 21 ALA HA H 1 5.114 0.030 . 1 . . . . 21 ALA HA . 10152 1 162 . 1 1 21 21 ALA CB C 13 22.563 0.300 . 1 . . . . 21 ALA CB . 10152 1 163 . 1 1 21 21 ALA HB1 H 1 1.214 0.030 . 1 . . . . 21 ALA HB . 10152 1 164 . 1 1 21 21 ALA HB2 H 1 1.214 0.030 . 1 . . . . 21 ALA HB . 10152 1 165 . 1 1 21 21 ALA HB3 H 1 1.214 0.030 . 1 . . . . 21 ALA HB . 10152 1 166 . 1 1 21 21 ALA C C 13 176.523 0.300 . 1 . . . . 21 ALA C . 10152 1 167 . 1 1 22 22 PHE N N 15 116.849 0.300 . 1 . . . . 22 PHE N . 10152 1 168 . 1 1 22 22 PHE H H 1 8.926 0.030 . 1 . . . . 22 PHE H . 10152 1 169 . 1 1 22 22 PHE CA C 13 57.347 0.300 . 1 . . . . 22 PHE CA . 10152 1 170 . 1 1 22 22 PHE HA H 1 4.736 0.030 . 1 . . . . 22 PHE HA . 10152 1 171 . 1 1 22 22 PHE CB C 13 44.094 0.300 . 1 . . . . 22 PHE CB . 10152 1 172 . 1 1 22 22 PHE HB3 H 1 3.388 0.030 . 2 . . . . 22 PHE HB3 . 10152 1 173 . 1 1 22 22 PHE CD1 C 13 132.290 0.300 . 1 . . . . 22 PHE CD1 . 10152 1 174 . 1 1 22 22 PHE HD1 H 1 7.279 0.030 . 1 . . . . 22 PHE HD1 . 10152 1 175 . 1 1 22 22 PHE CD2 C 13 132.290 0.300 . 1 . . . . 22 PHE CD2 . 10152 1 176 . 1 1 22 22 PHE HD2 H 1 7.279 0.030 . 1 . . . . 22 PHE HD2 . 10152 1 177 . 1 1 22 22 PHE CE1 C 13 130.760 0.300 . 1 . . . . 22 PHE CE1 . 10152 1 178 . 1 1 22 22 PHE HE1 H 1 6.822 0.030 . 1 . . . . 22 PHE HE1 . 10152 1 179 . 1 1 22 22 PHE CE2 C 13 130.760 0.300 . 1 . . . . 22 PHE CE2 . 10152 1 180 . 1 1 22 22 PHE HE2 H 1 6.822 0.030 . 1 . . . . 22 PHE HE2 . 10152 1 181 . 1 1 22 22 PHE CZ C 13 128.712 0.300 . 1 . . . . 22 PHE CZ . 10152 1 182 . 1 1 22 22 PHE HZ H 1 6.149 0.030 . 1 . . . . 22 PHE HZ . 10152 1 183 . 1 1 22 22 PHE C C 13 176.070 0.300 . 1 . . . . 22 PHE C . 10152 1 184 . 1 1 22 22 PHE HB2 H 1 2.820 0.030 . 2 . . . . 22 PHE HB2 . 10152 1 185 . 1 1 23 23 ARG N N 15 118.853 0.300 . 1 . . . . 23 ARG N . 10152 1 186 . 1 1 23 23 ARG H H 1 9.278 0.030 . 1 . . . . 23 ARG H . 10152 1 187 . 1 1 23 23 ARG CA C 13 57.758 0.300 . 1 . . . . 23 ARG CA . 10152 1 188 . 1 1 23 23 ARG HA H 1 4.507 0.030 . 1 . . . . 23 ARG HA . 10152 1 189 . 1 1 23 23 ARG CB C 13 31.163 0.300 . 1 . . . . 23 ARG CB . 10152 1 190 . 1 1 23 23 ARG HB3 H 1 2.007 0.030 . 1 . . . . 23 ARG HB3 . 10152 1 191 . 1 1 23 23 ARG CG C 13 27.333 0.300 . 1 . . . . 23 ARG CG . 10152 1 192 . 1 1 23 23 ARG HG3 H 1 1.996 0.030 . 2 . . . . 23 ARG HG3 . 10152 1 193 . 1 1 23 23 ARG CD C 13 43.429 0.300 . 1 . . . . 23 ARG CD . 10152 1 194 . 1 1 23 23 ARG HD3 H 1 3.240 0.030 . 1 . . . . 23 ARG HD3 . 10152 1 195 . 1 1 23 23 ARG C C 13 175.555 0.300 . 1 . . . . 23 ARG C . 10152 1 196 . 1 1 23 23 ARG HB2 H 1 2.007 0.030 . 1 . . . . 23 ARG HB2 . 10152 1 197 . 1 1 23 23 ARG HD2 H 1 3.240 0.030 . 1 . . . . 23 ARG HD2 . 10152 1 198 . 1 1 23 23 ARG HG2 H 1 1.777 0.030 . 2 . . . . 23 ARG HG2 . 10152 1 199 . 1 1 24 24 SER N N 15 109.867 0.300 . 1 . . . . 24 SER N . 10152 1 200 . 1 1 24 24 SER H H 1 7.445 0.030 . 1 . . . . 24 SER H . 10152 1 201 . 1 1 24 24 SER CA C 13 55.916 0.300 . 1 . . . . 24 SER CA . 10152 1 202 . 1 1 24 24 SER HA H 1 4.716 0.030 . 1 . . . . 24 SER HA . 10152 1 203 . 1 1 24 24 SER CB C 13 66.155 0.300 . 1 . . . . 24 SER CB . 10152 1 204 . 1 1 24 24 SER HB3 H 1 3.674 0.030 . 2 . . . . 24 SER HB3 . 10152 1 205 . 1 1 24 24 SER C C 13 173.335 0.300 . 1 . . . . 24 SER C . 10152 1 206 . 1 1 24 24 SER HB2 H 1 3.902 0.030 . 2 . . . . 24 SER HB2 . 10152 1 207 . 1 1 25 25 LYS N N 15 125.390 0.300 . 1 . . . . 25 LYS N . 10152 1 208 . 1 1 25 25 LYS H H 1 8.308 0.030 . 1 . . . . 25 LYS H . 10152 1 209 . 1 1 25 25 LYS CA C 13 59.004 0.300 . 1 . . . . 25 LYS CA . 10152 1 210 . 1 1 25 25 LYS HA H 1 3.212 0.030 . 1 . . . . 25 LYS HA . 10152 1 211 . 1 1 25 25 LYS CB C 13 31.811 0.300 . 1 . . . . 25 LYS CB . 10152 1 212 . 1 1 25 25 LYS HB3 H 1 1.216 0.030 . 2 . . . . 25 LYS HB3 . 10152 1 213 . 1 1 25 25 LYS CG C 13 24.939 0.300 . 1 . . . . 25 LYS CG . 10152 1 214 . 1 1 25 25 LYS HG3 H 1 1.141 0.030 . 2 . . . . 25 LYS HG3 . 10152 1 215 . 1 1 25 25 LYS CD C 13 29.333 0.300 . 1 . . . . 25 LYS CD . 10152 1 216 . 1 1 25 25 LYS HD3 H 1 1.596 0.030 . 2 . . . . 25 LYS HD3 . 10152 1 217 . 1 1 25 25 LYS CE C 13 42.120 0.300 . 1 . . . . 25 LYS CE . 10152 1 218 . 1 1 25 25 LYS HE3 H 1 2.914 0.030 . 1 . . . . 25 LYS HE3 . 10152 1 219 . 1 1 25 25 LYS C C 13 178.128 0.300 . 1 . . . . 25 LYS C . 10152 1 220 . 1 1 25 25 LYS HB2 H 1 1.537 0.030 . 2 . . . . 25 LYS HB2 . 10152 1 221 . 1 1 25 25 LYS HD2 H 1 1.651 0.030 . 2 . . . . 25 LYS HD2 . 10152 1 222 . 1 1 25 25 LYS HE2 H 1 2.914 0.030 . 1 . . . . 25 LYS HE2 . 10152 1 223 . 1 1 25 25 LYS HG2 H 1 1.269 0.030 . 2 . . . . 25 LYS HG2 . 10152 1 224 . 1 1 26 26 SER N N 15 113.087 0.300 . 1 . . . . 26 SER N . 10152 1 225 . 1 1 26 26 SER H H 1 8.198 0.030 . 1 . . . . 26 SER H . 10152 1 226 . 1 1 26 26 SER CA C 13 61.434 0.300 . 1 . . . . 26 SER CA . 10152 1 227 . 1 1 26 26 SER HA H 1 3.944 0.030 . 1 . . . . 26 SER HA . 10152 1 228 . 1 1 26 26 SER CB C 13 61.936 0.300 . 1 . . . . 26 SER CB . 10152 1 229 . 1 1 26 26 SER HB3 H 1 3.675 0.030 . 1 . . . . 26 SER HB3 . 10152 1 230 . 1 1 26 26 SER C C 13 176.875 0.300 . 1 . . . . 26 SER C . 10152 1 231 . 1 1 26 26 SER HB2 H 1 3.675 0.030 . 1 . . . . 26 SER HB2 . 10152 1 232 . 1 1 27 27 TYR N N 15 119.500 0.300 . 1 . . . . 27 TYR N . 10152 1 233 . 1 1 27 27 TYR H H 1 7.262 0.030 . 1 . . . . 27 TYR H . 10152 1 234 . 1 1 27 27 TYR CA C 13 59.906 0.300 . 1 . . . . 27 TYR CA . 10152 1 235 . 1 1 27 27 TYR HA H 1 4.245 0.030 . 1 . . . . 27 TYR HA . 10152 1 236 . 1 1 27 27 TYR CB C 13 37.518 0.300 . 1 . . . . 27 TYR CB . 10152 1 237 . 1 1 27 27 TYR HB3 H 1 3.031 0.030 . 2 . . . . 27 TYR HB3 . 10152 1 238 . 1 1 27 27 TYR CD1 C 13 132.265 0.300 . 1 . . . . 27 TYR CD1 . 10152 1 239 . 1 1 27 27 TYR HD1 H 1 7.203 0.030 . 1 . . . . 27 TYR HD1 . 10152 1 240 . 1 1 27 27 TYR CD2 C 13 132.265 0.300 . 1 . . . . 27 TYR CD2 . 10152 1 241 . 1 1 27 27 TYR HD2 H 1 7.203 0.030 . 1 . . . . 27 TYR HD2 . 10152 1 242 . 1 1 27 27 TYR CE1 C 13 118.323 0.300 . 1 . . . . 27 TYR CE1 . 10152 1 243 . 1 1 27 27 TYR HE1 H 1 6.865 0.030 . 1 . . . . 27 TYR HE1 . 10152 1 244 . 1 1 27 27 TYR CE2 C 13 118.323 0.300 . 1 . . . . 27 TYR CE2 . 10152 1 245 . 1 1 27 27 TYR HE2 H 1 6.865 0.030 . 1 . . . . 27 TYR HE2 . 10152 1 246 . 1 1 27 27 TYR C C 13 178.410 0.300 . 1 . . . . 27 TYR C . 10152 1 247 . 1 1 27 27 TYR HB2 H 1 3.180 0.030 . 2 . . . . 27 TYR HB2 . 10152 1 248 . 1 1 28 28 LEU N N 15 122.215 0.300 . 1 . . . . 28 LEU N . 10152 1 249 . 1 1 28 28 LEU H H 1 7.340 0.030 . 1 . . . . 28 LEU H . 10152 1 250 . 1 1 28 28 LEU CA C 13 58.160 0.300 . 1 . . . . 28 LEU CA . 10152 1 251 . 1 1 28 28 LEU HA H 1 3.372 0.030 . 1 . . . . 28 LEU HA . 10152 1 252 . 1 1 28 28 LEU CB C 13 40.641 0.300 . 1 . . . . 28 LEU CB . 10152 1 253 . 1 1 28 28 LEU HB3 H 1 1.352 0.030 . 2 . . . . 28 LEU HB3 . 10152 1 254 . 1 1 28 28 LEU CG C 13 27.371 0.300 . 1 . . . . 28 LEU CG . 10152 1 255 . 1 1 28 28 LEU HG H 1 1.583 0.030 . 1 . . . . 28 LEU HG . 10152 1 256 . 1 1 28 28 LEU CD1 C 13 22.626 0.300 . 2 . . . . 28 LEU CD1 . 10152 1 257 . 1 1 28 28 LEU HD11 H 1 0.985 0.030 . 1 . . . . 28 LEU HD1 . 10152 1 258 . 1 1 28 28 LEU HD12 H 1 0.985 0.030 . 1 . . . . 28 LEU HD1 . 10152 1 259 . 1 1 28 28 LEU HD13 H 1 0.985 0.030 . 1 . . . . 28 LEU HD1 . 10152 1 260 . 1 1 28 28 LEU CD2 C 13 26.627 0.300 . 2 . . . . 28 LEU CD2 . 10152 1 261 . 1 1 28 28 LEU HD21 H 1 1.035 0.030 . 1 . . . . 28 LEU HD2 . 10152 1 262 . 1 1 28 28 LEU HD22 H 1 1.035 0.030 . 1 . . . . 28 LEU HD2 . 10152 1 263 . 1 1 28 28 LEU HD23 H 1 1.035 0.030 . 1 . . . . 28 LEU HD2 . 10152 1 264 . 1 1 28 28 LEU C C 13 178.010 0.300 . 1 . . . . 28 LEU C . 10152 1 265 . 1 1 28 28 LEU HB2 H 1 2.113 0.030 . 2 . . . . 28 LEU HB2 . 10152 1 266 . 1 1 29 29 ILE N N 15 121.146 0.300 . 1 . . . . 29 ILE N . 10152 1 267 . 1 1 29 29 ILE H H 1 8.364 0.030 . 1 . . . . 29 ILE H . 10152 1 268 . 1 1 29 29 ILE CA C 13 65.133 0.300 . 1 . . . . 29 ILE CA . 10152 1 269 . 1 1 29 29 ILE HA H 1 3.650 0.030 . 1 . . . . 29 ILE HA . 10152 1 270 . 1 1 29 29 ILE CB C 13 37.476 0.300 . 1 . . . . 29 ILE CB . 10152 1 271 . 1 1 29 29 ILE HB H 1 1.845 0.030 . 1 . . . . 29 ILE HB . 10152 1 272 . 1 1 29 29 ILE CG1 C 13 29.022 0.300 . 1 . . . . 29 ILE CG1 . 10152 1 273 . 1 1 29 29 ILE HG13 H 1 1.152 0.030 . 2 . . . . 29 ILE HG13 . 10152 1 274 . 1 1 29 29 ILE CG2 C 13 16.814 0.300 . 1 . . . . 29 ILE CG2 . 10152 1 275 . 1 1 29 29 ILE HG21 H 1 0.838 0.030 . 1 . . . . 29 ILE HG2 . 10152 1 276 . 1 1 29 29 ILE HG22 H 1 0.838 0.030 . 1 . . . . 29 ILE HG2 . 10152 1 277 . 1 1 29 29 ILE HG23 H 1 0.838 0.030 . 1 . . . . 29 ILE HG2 . 10152 1 278 . 1 1 29 29 ILE CD1 C 13 13.101 0.300 . 1 . . . . 29 ILE CD1 . 10152 1 279 . 1 1 29 29 ILE HD11 H 1 0.767 0.030 . 1 . . . . 29 ILE HD1 . 10152 1 280 . 1 1 29 29 ILE HD12 H 1 0.767 0.030 . 1 . . . . 29 ILE HD1 . 10152 1 281 . 1 1 29 29 ILE HD13 H 1 0.767 0.030 . 1 . . . . 29 ILE HD1 . 10152 1 282 . 1 1 29 29 ILE C C 13 179.053 0.300 . 1 . . . . 29 ILE C . 10152 1 283 . 1 1 29 29 ILE HG12 H 1 1.599 0.030 . 2 . . . . 29 ILE HG12 . 10152 1 284 . 1 1 30 30 ILE N N 15 119.869 0.300 . 1 . . . . 30 ILE N . 10152 1 285 . 1 1 30 30 ILE H H 1 7.447 0.030 . 1 . . . . 30 ILE H . 10152 1 286 . 1 1 30 30 ILE CA C 13 65.067 0.300 . 1 . . . . 30 ILE CA . 10152 1 287 . 1 1 30 30 ILE HA H 1 3.513 0.030 . 1 . . . . 30 ILE HA . 10152 1 288 . 1 1 30 30 ILE CB C 13 38.321 0.300 . 1 . . . . 30 ILE CB . 10152 1 289 . 1 1 30 30 ILE HB H 1 1.667 0.030 . 1 . . . . 30 ILE HB . 10152 1 290 . 1 1 30 30 ILE CG1 C 13 29.255 0.300 . 1 . . . . 30 ILE CG1 . 10152 1 291 . 1 1 30 30 ILE HG13 H 1 1.064 0.030 . 2 . . . . 30 ILE HG13 . 10152 1 292 . 1 1 30 30 ILE CG2 C 13 17.134 0.300 . 1 . . . . 30 ILE CG2 . 10152 1 293 . 1 1 30 30 ILE HG21 H 1 0.846 0.030 . 1 . . . . 30 ILE HG2 . 10152 1 294 . 1 1 30 30 ILE HG22 H 1 0.846 0.030 . 1 . . . . 30 ILE HG2 . 10152 1 295 . 1 1 30 30 ILE HG23 H 1 0.846 0.030 . 1 . . . . 30 ILE HG2 . 10152 1 296 . 1 1 30 30 ILE CD1 C 13 13.137 0.300 . 1 . . . . 30 ILE CD1 . 10152 1 297 . 1 1 30 30 ILE HD11 H 1 0.738 0.030 . 1 . . . . 30 ILE HD1 . 10152 1 298 . 1 1 30 30 ILE HD12 H 1 0.738 0.030 . 1 . . . . 30 ILE HD1 . 10152 1 299 . 1 1 30 30 ILE HD13 H 1 0.738 0.030 . 1 . . . . 30 ILE HD1 . 10152 1 300 . 1 1 30 30 ILE C C 13 178.755 0.300 . 1 . . . . 30 ILE C . 10152 1 301 . 1 1 30 30 ILE HG12 H 1 1.630 0.030 . 2 . . . . 30 ILE HG12 . 10152 1 302 . 1 1 31 31 HIS N N 15 119.137 0.300 . 1 . . . . 31 HIS N . 10152 1 303 . 1 1 31 31 HIS H H 1 7.717 0.030 . 1 . . . . 31 HIS H . 10152 1 304 . 1 1 31 31 HIS CA C 13 59.468 0.300 . 1 . . . . 31 HIS CA . 10152 1 305 . 1 1 31 31 HIS HA H 1 4.231 0.030 . 1 . . . . 31 HIS HA . 10152 1 306 . 1 1 31 31 HIS CB C 13 28.172 0.300 . 1 . . . . 31 HIS CB . 10152 1 307 . 1 1 31 31 HIS HB3 H 1 2.745 0.030 . 2 . . . . 31 HIS HB3 . 10152 1 308 . 1 1 31 31 HIS CD2 C 13 127.394 0.300 . 1 . . . . 31 HIS CD2 . 10152 1 309 . 1 1 31 31 HIS HD2 H 1 6.884 0.030 . 1 . . . . 31 HIS HD2 . 10152 1 310 . 1 1 31 31 HIS CE1 C 13 139.311 0.300 . 1 . . . . 31 HIS CE1 . 10152 1 311 . 1 1 31 31 HIS HE1 H 1 7.990 0.030 . 1 . . . . 31 HIS HE1 . 10152 1 312 . 1 1 31 31 HIS C C 13 178.382 0.300 . 1 . . . . 31 HIS C . 10152 1 313 . 1 1 31 31 HIS HB2 H 1 3.039 0.030 . 2 . . . . 31 HIS HB2 . 10152 1 314 . 1 1 32 32 THR N N 15 116.707 0.300 . 1 . . . . 32 THR N . 10152 1 315 . 1 1 32 32 THR H H 1 9.007 0.030 . 1 . . . . 32 THR H . 10152 1 316 . 1 1 32 32 THR CA C 13 66.925 0.300 . 1 . . . . 32 THR CA . 10152 1 317 . 1 1 32 32 THR HA H 1 3.710 0.030 . 1 . . . . 32 THR HA . 10152 1 318 . 1 1 32 32 THR CB C 13 69.079 0.300 . 1 . . . . 32 THR CB . 10152 1 319 . 1 1 32 32 THR HB H 1 4.416 0.030 . 1 . . . . 32 THR HB . 10152 1 320 . 1 1 32 32 THR CG2 C 13 22.303 0.300 . 1 . . . . 32 THR CG2 . 10152 1 321 . 1 1 32 32 THR HG21 H 1 1.538 0.030 . 1 . . . . 32 THR HG2 . 10152 1 322 . 1 1 32 32 THR HG22 H 1 1.538 0.030 . 1 . . . . 32 THR HG2 . 10152 1 323 . 1 1 32 32 THR HG23 H 1 1.538 0.030 . 1 . . . . 32 THR HG2 . 10152 1 324 . 1 1 32 32 THR C C 13 176.003 0.300 . 1 . . . . 32 THR C . 10152 1 325 . 1 1 33 33 ARG N N 15 119.936 0.300 . 1 . . . . 33 ARG N . 10152 1 326 . 1 1 33 33 ARG H H 1 7.256 0.030 . 1 . . . . 33 ARG H . 10152 1 327 . 1 1 33 33 ARG CA C 13 58.571 0.300 . 1 . . . . 33 ARG CA . 10152 1 328 . 1 1 33 33 ARG HA H 1 4.219 0.030 . 1 . . . . 33 ARG HA . 10152 1 329 . 1 1 33 33 ARG CB C 13 29.786 0.300 . 1 . . . . 33 ARG CB . 10152 1 330 . 1 1 33 33 ARG HB3 H 1 1.830 0.030 . 2 . . . . 33 ARG HB3 . 10152 1 331 . 1 1 33 33 ARG CG C 13 27.799 0.300 . 1 . . . . 33 ARG CG . 10152 1 332 . 1 1 33 33 ARG HG3 H 1 1.842 0.030 . 2 . . . . 33 ARG HG3 . 10152 1 333 . 1 1 33 33 ARG CD C 13 43.725 0.300 . 1 . . . . 33 ARG CD . 10152 1 334 . 1 1 33 33 ARG HD3 H 1 3.131 0.030 . 1 . . . . 33 ARG HD3 . 10152 1 335 . 1 1 33 33 ARG C C 13 178.241 0.300 . 1 . . . . 33 ARG C . 10152 1 336 . 1 1 33 33 ARG HB2 H 1 1.930 0.030 . 2 . . . . 33 ARG HB2 . 10152 1 337 . 1 1 33 33 ARG HD2 H 1 3.131 0.030 . 1 . . . . 33 ARG HD2 . 10152 1 338 . 1 1 33 33 ARG HG2 H 1 1.629 0.030 . 2 . . . . 33 ARG HG2 . 10152 1 339 . 1 1 34 34 THR N N 15 109.982 0.300 . 1 . . . . 34 THR N . 10152 1 340 . 1 1 34 34 THR H H 1 7.821 0.030 . 1 . . . . 34 THR H . 10152 1 341 . 1 1 34 34 THR CA C 13 64.062 0.300 . 1 . . . . 34 THR CA . 10152 1 342 . 1 1 34 34 THR HA H 1 4.111 0.030 . 1 . . . . 34 THR HA . 10152 1 343 . 1 1 34 34 THR CB C 13 69.241 0.300 . 1 . . . . 34 THR CB . 10152 1 344 . 1 1 34 34 THR HB H 1 3.981 0.030 . 1 . . . . 34 THR HB . 10152 1 345 . 1 1 34 34 THR CG2 C 13 21.026 0.300 . 1 . . . . 34 THR CG2 . 10152 1 346 . 1 1 34 34 THR HG21 H 1 1.143 0.030 . 1 . . . . 34 THR HG2 . 10152 1 347 . 1 1 34 34 THR HG22 H 1 1.143 0.030 . 1 . . . . 34 THR HG2 . 10152 1 348 . 1 1 34 34 THR HG23 H 1 1.143 0.030 . 1 . . . . 34 THR HG2 . 10152 1 349 . 1 1 34 34 THR C C 13 175.691 0.300 . 1 . . . . 34 THR C . 10152 1 350 . 1 1 35 35 HIS N N 15 118.562 0.300 . 1 . . . . 35 HIS N . 10152 1 351 . 1 1 35 35 HIS H H 1 7.303 0.030 . 1 . . . . 35 HIS H . 10152 1 352 . 1 1 35 35 HIS CA C 13 55.753 0.300 . 1 . . . . 35 HIS CA . 10152 1 353 . 1 1 35 35 HIS HA H 1 4.833 0.030 . 1 . . . . 35 HIS HA . 10152 1 354 . 1 1 35 35 HIS CB C 13 28.760 0.300 . 1 . . . . 35 HIS CB . 10152 1 355 . 1 1 35 35 HIS HB3 H 1 3.225 0.030 . 2 . . . . 35 HIS HB3 . 10152 1 356 . 1 1 35 35 HIS CD2 C 13 126.994 0.300 . 1 . . . . 35 HIS CD2 . 10152 1 357 . 1 1 35 35 HIS HD2 H 1 6.625 0.030 . 1 . . . . 35 HIS HD2 . 10152 1 358 . 1 1 35 35 HIS CE1 C 13 139.787 0.300 . 1 . . . . 35 HIS CE1 . 10152 1 359 . 1 1 35 35 HIS HE1 H 1 8.010 0.030 . 1 . . . . 35 HIS HE1 . 10152 1 360 . 1 1 35 35 HIS C C 13 175.857 0.300 . 1 . . . . 35 HIS C . 10152 1 361 . 1 1 35 35 HIS HB2 H 1 3.303 0.030 . 2 . . . . 35 HIS HB2 . 10152 1 362 . 1 1 36 36 THR N N 15 111.405 0.300 . 1 . . . . 36 THR N . 10152 1 363 . 1 1 36 36 THR H H 1 7.836 0.030 . 1 . . . . 36 THR H . 10152 1 364 . 1 1 36 36 THR CA C 13 62.358 0.300 . 1 . . . . 36 THR CA . 10152 1 365 . 1 1 36 36 THR HA H 1 4.359 0.030 . 1 . . . . 36 THR HA . 10152 1 366 . 1 1 36 36 THR CB C 13 69.861 0.300 . 1 . . . . 36 THR CB . 10152 1 367 . 1 1 36 36 THR HB H 1 4.326 0.030 . 1 . . . . 36 THR HB . 10152 1 368 . 1 1 36 36 THR CG2 C 13 21.617 0.300 . 1 . . . . 36 THR CG2 . 10152 1 369 . 1 1 36 36 THR HG21 H 1 1.232 0.030 . 1 . . . . 36 THR HG2 . 10152 1 370 . 1 1 36 36 THR HG22 H 1 1.232 0.030 . 1 . . . . 36 THR HG2 . 10152 1 371 . 1 1 36 36 THR HG23 H 1 1.232 0.030 . 1 . . . . 36 THR HG2 . 10152 1 372 . 1 1 36 36 THR C C 13 175.557 0.300 . 1 . . . . 36 THR C . 10152 1 373 . 1 1 37 37 GLY N N 15 110.788 0.300 . 1 . . . . 37 GLY N . 10152 1 374 . 1 1 37 37 GLY H H 1 8.256 0.030 . 1 . . . . 37 GLY H . 10152 1 375 . 1 1 37 37 GLY CA C 13 45.471 0.300 . 1 . . . . 37 GLY CA . 10152 1 376 . 1 1 37 37 GLY HA3 H 1 3.933 0.030 . 2 . . . . 37 GLY HA3 . 10152 1 377 . 1 1 37 37 GLY C C 13 174.315 0.300 . 1 . . . . 37 GLY C . 10152 1 378 . 1 1 37 37 GLY HA2 H 1 4.037 0.030 . 2 . . . . 37 GLY HA2 . 10152 1 379 . 1 1 38 38 GLU N N 15 120.671 0.300 . 1 . . . . 38 GLU N . 10152 1 380 . 1 1 38 38 GLU H H 1 8.139 0.030 . 1 . . . . 38 GLU H . 10152 1 381 . 1 1 38 38 GLU CA C 13 56.638 0.300 . 1 . . . . 38 GLU CA . 10152 1 382 . 1 1 38 38 GLU HA H 1 4.271 0.030 . 1 . . . . 38 GLU HA . 10152 1 383 . 1 1 38 38 GLU CB C 13 30.487 0.300 . 1 . . . . 38 GLU CB . 10152 1 384 . 1 1 38 38 GLU HB3 H 1 1.878 0.030 . 2 . . . . 38 GLU HB3 . 10152 1 385 . 1 1 38 38 GLU CG C 13 36.275 0.300 . 1 . . . . 38 GLU CG . 10152 1 386 . 1 1 38 38 GLU HG3 H 1 2.218 0.030 . 1 . . . . 38 GLU HG3 . 10152 1 387 . 1 1 38 38 GLU C C 13 176.506 0.300 . 1 . . . . 38 GLU C . 10152 1 388 . 1 1 38 38 GLU HB2 H 1 2.020 0.030 . 2 . . . . 38 GLU HB2 . 10152 1 389 . 1 1 38 38 GLU HG2 H 1 2.218 0.030 . 1 . . . . 38 GLU HG2 . 10152 1 390 . 1 1 39 39 SER N N 15 116.808 0.300 . 1 . . . . 39 SER N . 10152 1 391 . 1 1 39 39 SER H H 1 8.416 0.030 . 1 . . . . 39 SER H . 10152 1 392 . 1 1 39 39 SER CA C 13 58.427 0.300 . 1 . . . . 39 SER CA . 10152 1 393 . 1 1 39 39 SER HA H 1 4.440 0.030 . 1 . . . . 39 SER HA . 10152 1 394 . 1 1 39 39 SER CB C 13 64.030 0.300 . 1 . . . . 39 SER CB . 10152 1 395 . 1 1 39 39 SER HB3 H 1 3.827 0.030 . 1 . . . . 39 SER HB3 . 10152 1 396 . 1 1 39 39 SER C C 13 174.564 0.300 . 1 . . . . 39 SER C . 10152 1 397 . 1 1 39 39 SER HB2 H 1 3.827 0.030 . 1 . . . . 39 SER HB2 . 10152 1 398 . 1 1 40 40 GLY N N 15 110.559 0.300 . 1 . . . . 40 GLY N . 10152 1 399 . 1 1 40 40 GLY H H 1 8.236 0.030 . 1 . . . . 40 GLY H . 10152 1 400 . 1 1 40 40 GLY CA C 13 44.652 0.300 . 1 . . . . 40 GLY CA . 10152 1 401 . 1 1 40 40 GLY HA3 H 1 4.045 0.030 . 2 . . . . 40 GLY HA3 . 10152 1 402 . 1 1 40 40 GLY C C 13 171.663 0.300 . 1 . . . . 40 GLY C . 10152 1 403 . 1 1 40 40 GLY HA2 H 1 4.139 0.030 . 2 . . . . 40 GLY HA2 . 10152 1 404 . 1 1 41 41 PRO CA C 13 63.186 0.300 . 1 . . . . 41 PRO CA . 10152 1 405 . 1 1 41 41 PRO HA H 1 4.459 0.030 . 1 . . . . 41 PRO HA . 10152 1 406 . 1 1 41 41 PRO CB C 13 32.141 0.300 . 1 . . . . 41 PRO CB . 10152 1 407 . 1 1 41 41 PRO HB3 H 1 2.277 0.030 . 2 . . . . 41 PRO HB3 . 10152 1 408 . 1 1 41 41 PRO CG C 13 27.142 0.300 . 1 . . . . 41 PRO CG . 10152 1 409 . 1 1 41 41 PRO HG3 H 1 1.996 0.030 . 1 . . . . 41 PRO HG3 . 10152 1 410 . 1 1 41 41 PRO CD C 13 49.856 0.300 . 1 . . . . 41 PRO CD . 10152 1 411 . 1 1 41 41 PRO HD3 H 1 3.598 0.030 . 1 . . . . 41 PRO HD3 . 10152 1 412 . 1 1 41 41 PRO C C 13 177.354 0.300 . 1 . . . . 41 PRO C . 10152 1 413 . 1 1 41 41 PRO HB2 H 1 1.956 0.030 . 2 . . . . 41 PRO HB2 . 10152 1 414 . 1 1 41 41 PRO HD2 H 1 3.598 0.030 . 1 . . . . 41 PRO HD2 . 10152 1 415 . 1 1 41 41 PRO HG2 H 1 1.996 0.030 . 1 . . . . 41 PRO HG2 . 10152 1 416 . 1 1 42 42 SER N N 15 116.533 0.300 . 1 . . . . 42 SER N . 10152 1 417 . 1 1 42 42 SER H H 1 8.540 0.030 . 1 . . . . 42 SER H . 10152 1 418 . 1 1 42 42 SER CA C 13 58.357 0.300 . 1 . . . . 42 SER CA . 10152 1 419 . 1 1 42 42 SER HA H 1 4.458 0.030 . 1 . . . . 42 SER HA . 10152 1 420 . 1 1 42 42 SER CB C 13 63.799 0.300 . 1 . . . . 42 SER CB . 10152 1 421 . 1 1 42 42 SER HB3 H 1 3.866 0.030 . 1 . . . . 42 SER HB3 . 10152 1 422 . 1 1 42 42 SER C C 13 174.657 0.300 . 1 . . . . 42 SER C . 10152 1 423 . 1 1 42 42 SER HB2 H 1 3.866 0.030 . 1 . . . . 42 SER HB2 . 10152 1 424 . 1 1 43 43 SER N N 15 117.855 0.300 . 1 . . . . 43 SER N . 10152 1 425 . 1 1 43 43 SER H H 1 8.309 0.030 . 1 . . . . 43 SER H . 10152 1 426 . 1 1 43 43 SER CA C 13 58.342 0.300 . 1 . . . . 43 SER CA . 10152 1 427 . 1 1 43 43 SER HA H 1 4.451 0.030 . 1 . . . . 43 SER HA . 10152 1 428 . 1 1 43 43 SER CB C 13 64.100 0.300 . 1 . . . . 43 SER CB . 10152 1 429 . 1 1 43 43 SER HB3 H 1 3.850 0.030 . 1 . . . . 43 SER HB3 . 10152 1 430 . 1 1 43 43 SER C C 13 173.896 0.300 . 1 . . . . 43 SER C . 10152 1 431 . 1 1 43 43 SER HB2 H 1 3.850 0.030 . 1 . . . . 43 SER HB2 . 10152 1 432 . 1 1 44 44 GLY N N 15 116.840 0.300 . 1 . . . . 44 GLY N . 10152 1 433 . 1 1 44 44 GLY H H 1 8.047 0.030 . 1 . . . . 44 GLY H . 10152 1 434 . 1 1 44 44 GLY CA C 13 46.186 0.300 . 1 . . . . 44 GLY CA . 10152 1 435 . 1 1 44 44 GLY HA3 H 1 3.769 0.030 . 1 . . . . 44 GLY HA3 . 10152 1 436 . 1 1 44 44 GLY C C 13 178.953 0.300 . 1 . . . . 44 GLY C . 10152 1 437 . 1 1 44 44 GLY HA2 H 1 3.769 0.030 . 1 . . . . 44 GLY HA2 . 10152 1 stop_ save_