################################### # 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 10199 _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 10199 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10199 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 61.947 0.300 . 1 . . . . 8 THR CA . 10199 1 2 . 1 1 8 8 THR HA H 1 4.342 0.030 . 1 . . . . 8 THR HA . 10199 1 3 . 1 1 8 8 THR CB C 13 69.725 0.300 . 1 . . . . 8 THR CB . 10199 1 4 . 1 1 8 8 THR HB H 1 4.282 0.030 . 1 . . . . 8 THR HB . 10199 1 5 . 1 1 8 8 THR CG2 C 13 21.500 0.300 . 1 . . . . 8 THR CG2 . 10199 1 6 . 1 1 8 8 THR HG21 H 1 1.171 0.030 . 1 . . . . 8 THR HG2 . 10199 1 7 . 1 1 8 8 THR HG22 H 1 1.171 0.030 . 1 . . . . 8 THR HG2 . 10199 1 8 . 1 1 8 8 THR HG23 H 1 1.171 0.030 . 1 . . . . 8 THR HG2 . 10199 1 9 . 1 1 9 9 GLY N N 15 110.629 0.300 . 1 . . . . 9 GLY N . 10199 1 10 . 1 1 9 9 GLY H H 1 8.204 0.030 . 1 . . . . 9 GLY H . 10199 1 11 . 1 1 9 9 GLY CA C 13 45.276 0.300 . 1 . . . . 9 GLY CA . 10199 1 12 . 1 1 9 9 GLY HA3 H 1 3.987 0.030 . 2 . . . . 9 GLY HA3 . 10199 1 13 . 1 1 9 9 GLY HA2 H 1 3.937 0.030 . 2 . . . . 9 GLY HA2 . 10199 1 14 . 1 1 10 10 GLU N N 15 120.559 0.300 . 1 . . . . 10 GLU N . 10199 1 15 . 1 1 10 10 GLU H H 1 8.088 0.030 . 1 . . . . 10 GLU H . 10199 1 16 . 1 1 10 10 GLU CA C 13 56.354 0.300 . 1 . . . . 10 GLU CA . 10199 1 17 . 1 1 10 10 GLU HA H 1 4.215 0.030 . 1 . . . . 10 GLU HA . 10199 1 18 . 1 1 10 10 GLU CB C 13 30.414 0.300 . 1 . . . . 10 GLU CB . 10199 1 19 . 1 1 10 10 GLU HB3 H 1 1.893 0.030 . 1 . . . . 10 GLU HB3 . 10199 1 20 . 1 1 10 10 GLU CG C 13 36.182 0.300 . 1 . . . . 10 GLU CG . 10199 1 21 . 1 1 10 10 GLU C C 13 176.435 0.300 . 1 . . . . 10 GLU C . 10199 1 22 . 1 1 10 10 GLU HB2 H 1 1.893 0.030 . 1 . . . . 10 GLU HB2 . 10199 1 23 . 1 1 10 10 GLU HG2 H 1 2.196 0.030 . 2 . . . . 10 GLU HG2 . 10199 1 24 . 1 1 11 11 LYS N N 15 123.361 0.300 . 1 . . . . 11 LYS N . 10199 1 25 . 1 1 11 11 LYS H H 1 8.424 0.030 . 1 . . . . 11 LYS H . 10199 1 26 . 1 1 11 11 LYS CA C 13 56.048 0.300 . 1 . . . . 11 LYS CA . 10199 1 27 . 1 1 11 11 LYS HA H 1 4.197 0.030 . 1 . . . . 11 LYS HA . 10199 1 28 . 1 1 11 11 LYS CB C 13 32.695 0.300 . 1 . . . . 11 LYS CB . 10199 1 29 . 1 1 11 11 LYS HB3 H 1 1.673 0.030 . 2 . . . . 11 LYS HB3 . 10199 1 30 . 1 1 11 11 LYS CG C 13 24.888 0.300 . 1 . . . . 11 LYS CG . 10199 1 31 . 1 1 11 11 LYS HG3 H 1 1.323 0.030 . 2 . . . . 11 LYS HG3 . 10199 1 32 . 1 1 11 11 LYS CD C 13 29.014 0.300 . 1 . . . . 11 LYS CD . 10199 1 33 . 1 1 11 11 LYS HD3 H 1 1.573 0.030 . 1 . . . . 11 LYS HD3 . 10199 1 34 . 1 1 11 11 LYS CE C 13 41.977 0.300 . 1 . . . . 11 LYS CE . 10199 1 35 . 1 1 11 11 LYS HE3 H 1 2.883 0.030 . 1 . . . . 11 LYS HE3 . 10199 1 36 . 1 1 11 11 LYS C C 13 175.537 0.300 . 1 . . . . 11 LYS C . 10199 1 37 . 1 1 11 11 LYS HB2 H 1 1.542 0.030 . 2 . . . . 11 LYS HB2 . 10199 1 38 . 1 1 11 11 LYS HD2 H 1 1.573 0.030 . 1 . . . . 11 LYS HD2 . 10199 1 39 . 1 1 11 11 LYS HE2 H 1 2.883 0.030 . 1 . . . . 11 LYS HE2 . 10199 1 40 . 1 1 11 11 LYS HG2 H 1 1.220 0.030 . 2 . . . . 11 LYS HG2 . 10199 1 41 . 1 1 12 12 ARG N N 15 120.764 0.300 . 1 . . . . 12 ARG N . 10199 1 42 . 1 1 12 12 ARG H H 1 7.986 0.030 . 1 . . . . 12 ARG H . 10199 1 43 . 1 1 12 12 ARG CA C 13 55.218 0.300 . 1 . . . . 12 ARG CA . 10199 1 44 . 1 1 12 12 ARG HA H 1 4.316 0.030 . 1 . . . . 12 ARG HA . 10199 1 45 . 1 1 12 12 ARG CB C 13 32.110 0.300 . 1 . . . . 12 ARG CB . 10199 1 46 . 1 1 12 12 ARG HB3 H 1 1.481 0.030 . 1 . . . . 12 ARG HB3 . 10199 1 47 . 1 1 12 12 ARG CG C 13 26.955 0.300 . 1 . . . . 12 ARG CG . 10199 1 48 . 1 1 12 12 ARG HG3 H 1 1.362 0.030 . 1 . . . . 12 ARG HG3 . 10199 1 49 . 1 1 12 12 ARG CD C 13 43.350 0.300 . 1 . . . . 12 ARG CD . 10199 1 50 . 1 1 12 12 ARG HD3 H 1 3.047 0.030 . 2 . . . . 12 ARG HD3 . 10199 1 51 . 1 1 12 12 ARG C C 13 175.043 0.300 . 1 . . . . 12 ARG C . 10199 1 52 . 1 1 12 12 ARG HB2 H 1 1.481 0.030 . 1 . . . . 12 ARG HB2 . 10199 1 53 . 1 1 12 12 ARG HD2 H 1 2.988 0.030 . 2 . . . . 12 ARG HD2 . 10199 1 54 . 1 1 12 12 ARG HG2 H 1 1.362 0.030 . 1 . . . . 12 ARG HG2 . 10199 1 55 . 1 1 13 13 TYR N N 15 121.086 0.300 . 1 . . . . 13 TYR N . 10199 1 56 . 1 1 13 13 TYR H H 1 8.420 0.030 . 1 . . . . 13 TYR H . 10199 1 57 . 1 1 13 13 TYR CA C 13 57.592 0.300 . 1 . . . . 13 TYR CA . 10199 1 58 . 1 1 13 13 TYR HA H 1 4.559 0.030 . 1 . . . . 13 TYR HA . 10199 1 59 . 1 1 13 13 TYR CB C 13 38.873 0.300 . 1 . . . . 13 TYR CB . 10199 1 60 . 1 1 13 13 TYR HB3 H 1 2.721 0.030 . 2 . . . . 13 TYR HB3 . 10199 1 61 . 1 1 13 13 TYR CD1 C 13 133.316 0.300 . 1 . . . . 13 TYR CD1 . 10199 1 62 . 1 1 13 13 TYR HD1 H 1 6.927 0.030 . 1 . . . . 13 TYR HD1 . 10199 1 63 . 1 1 13 13 TYR CD2 C 13 133.316 0.300 . 1 . . . . 13 TYR CD2 . 10199 1 64 . 1 1 13 13 TYR HD2 H 1 6.927 0.030 . 1 . . . . 13 TYR HD2 . 10199 1 65 . 1 1 13 13 TYR CE1 C 13 118.081 0.300 . 1 . . . . 13 TYR CE1 . 10199 1 66 . 1 1 13 13 TYR HE1 H 1 6.778 0.030 . 1 . . . . 13 TYR HE1 . 10199 1 67 . 1 1 13 13 TYR CE2 C 13 118.081 0.300 . 1 . . . . 13 TYR CE2 . 10199 1 68 . 1 1 13 13 TYR HE2 H 1 6.778 0.030 . 1 . . . . 13 TYR HE2 . 10199 1 69 . 1 1 13 13 TYR C C 13 173.957 0.300 . 1 . . . . 13 TYR C . 10199 1 70 . 1 1 13 13 TYR HB2 H 1 2.920 0.030 . 2 . . . . 13 TYR HB2 . 10199 1 71 . 1 1 14 14 LYS N N 15 125.789 0.300 . 1 . . . . 14 LYS N . 10199 1 72 . 1 1 14 14 LYS H H 1 8.570 0.030 . 1 . . . . 14 LYS H . 10199 1 73 . 1 1 14 14 LYS CA C 13 54.913 0.300 . 1 . . . . 14 LYS CA . 10199 1 74 . 1 1 14 14 LYS HA H 1 4.971 0.030 . 1 . . . . 14 LYS HA . 10199 1 75 . 1 1 14 14 LYS CB C 13 35.797 0.300 . 1 . . . . 14 LYS CB . 10199 1 76 . 1 1 14 14 LYS HB3 H 1 1.463 0.030 . 2 . . . . 14 LYS HB3 . 10199 1 77 . 1 1 14 14 LYS CG C 13 24.401 0.300 . 1 . . . . 14 LYS CG . 10199 1 78 . 1 1 14 14 LYS HG3 H 1 1.091 0.030 . 2 . . . . 14 LYS HG3 . 10199 1 79 . 1 1 14 14 LYS CD C 13 29.603 0.300 . 1 . . . . 14 LYS CD . 10199 1 80 . 1 1 14 14 LYS HD3 H 1 1.524 0.030 . 1 . . . . 14 LYS HD3 . 10199 1 81 . 1 1 14 14 LYS CE C 13 41.949 0.300 . 1 . . . . 14 LYS CE . 10199 1 82 . 1 1 14 14 LYS HE3 H 1 2.878 0.030 . 1 . . . . 14 LYS HE3 . 10199 1 83 . 1 1 14 14 LYS C C 13 174.933 0.300 . 1 . . . . 14 LYS C . 10199 1 84 . 1 1 14 14 LYS HB2 H 1 1.713 0.030 . 2 . . . . 14 LYS HB2 . 10199 1 85 . 1 1 14 14 LYS HD2 H 1 1.524 0.030 . 1 . . . . 14 LYS HD2 . 10199 1 86 . 1 1 14 14 LYS HE2 H 1 2.878 0.030 . 1 . . . . 14 LYS HE2 . 10199 1 87 . 1 1 14 14 LYS HG2 H 1 1.013 0.030 . 2 . . . . 14 LYS HG2 . 10199 1 88 . 1 1 15 15 CYS N N 15 127.853 0.300 . 1 . . . . 15 CYS N . 10199 1 89 . 1 1 15 15 CYS H H 1 9.319 0.030 . 1 . . . . 15 CYS H . 10199 1 90 . 1 1 15 15 CYS CA C 13 59.341 0.300 . 1 . . . . 15 CYS CA . 10199 1 91 . 1 1 15 15 CYS HA H 1 4.543 0.030 . 1 . . . . 15 CYS HA . 10199 1 92 . 1 1 15 15 CYS CB C 13 29.426 0.300 . 1 . . . . 15 CYS CB . 10199 1 93 . 1 1 15 15 CYS HB3 H 1 3.365 0.030 . 2 . . . . 15 CYS HB3 . 10199 1 94 . 1 1 15 15 CYS C C 13 176.804 0.300 . 1 . . . . 15 CYS C . 10199 1 95 . 1 1 15 15 CYS HB2 H 1 2.811 0.030 . 2 . . . . 15 CYS HB2 . 10199 1 96 . 1 1 16 16 ASN N N 15 115.775 0.300 . 1 . . . . 16 ASN N . 10199 1 97 . 1 1 16 16 ASN H H 1 9.413 0.030 . 1 . . . . 16 ASN H . 10199 1 98 . 1 1 16 16 ASN CA C 13 55.575 0.300 . 1 . . . . 16 ASN CA . 10199 1 99 . 1 1 16 16 ASN HA H 1 4.489 0.030 . 1 . . . . 16 ASN HA . 10199 1 100 . 1 1 16 16 ASN CB C 13 38.399 0.300 . 1 . . . . 16 ASN CB . 10199 1 101 . 1 1 16 16 ASN HB3 H 1 2.848 0.030 . 1 . . . . 16 ASN HB3 . 10199 1 102 . 1 1 16 16 ASN ND2 N 15 113.443 0.300 . 1 . . . . 16 ASN ND2 . 10199 1 103 . 1 1 16 16 ASN HD21 H 1 7.672 0.030 . 2 . . . . 16 ASN HD21 . 10199 1 104 . 1 1 16 16 ASN HD22 H 1 6.954 0.030 . 2 . . . . 16 ASN HD22 . 10199 1 105 . 1 1 16 16 ASN C C 13 175.467 0.300 . 1 . . . . 16 ASN C . 10199 1 106 . 1 1 16 16 ASN HB2 H 1 2.848 0.030 . 1 . . . . 16 ASN HB2 . 10199 1 107 . 1 1 17 17 GLU N N 15 120.746 0.300 . 1 . . . . 17 GLU N . 10199 1 108 . 1 1 17 17 GLU H H 1 8.638 0.030 . 1 . . . . 17 GLU H . 10199 1 109 . 1 1 17 17 GLU CA C 13 58.455 0.300 . 1 . . . . 17 GLU CA . 10199 1 110 . 1 1 17 17 GLU HA H 1 4.176 0.030 . 1 . . . . 17 GLU HA . 10199 1 111 . 1 1 17 17 GLU CB C 13 29.410 0.300 . 1 . . . . 17 GLU CB . 10199 1 112 . 1 1 17 17 GLU HB3 H 1 1.335 0.030 . 2 . . . . 17 GLU HB3 . 10199 1 113 . 1 1 17 17 GLU CG C 13 35.639 0.300 . 1 . . . . 17 GLU CG . 10199 1 114 . 1 1 17 17 GLU HG3 H 1 1.741 0.030 . 2 . . . . 17 GLU HG3 . 10199 1 115 . 1 1 17 17 GLU C C 13 177.060 0.300 . 1 . . . . 17 GLU C . 10199 1 116 . 1 1 17 17 GLU HB2 H 1 1.296 0.030 . 2 . . . . 17 GLU HB2 . 10199 1 117 . 1 1 17 17 GLU HG2 H 1 1.855 0.030 . 2 . . . . 17 GLU HG2 . 10199 1 118 . 1 1 18 18 CYS N N 15 129.116 0.300 . 1 . . . . 18 CYS N . 10199 1 119 . 1 1 18 18 CYS H H 1 7.901 0.030 . 1 . . . . 18 CYS H . 10199 1 120 . 1 1 18 18 CYS CA C 13 58.282 0.300 . 1 . . . . 18 CYS CA . 10199 1 121 . 1 1 18 18 CYS HA H 1 5.150 0.030 . 1 . . . . 18 CYS HA . 10199 1 122 . 1 1 18 18 CYS CB C 13 32.401 0.300 . 1 . . . . 18 CYS CB . 10199 1 123 . 1 1 18 18 CYS HB3 H 1 2.842 0.030 . 2 . . . . 18 CYS HB3 . 10199 1 124 . 1 1 18 18 CYS C C 13 176.219 0.300 . 1 . . . . 18 CYS C . 10199 1 125 . 1 1 18 18 CYS HB2 H 1 3.407 0.030 . 2 . . . . 18 CYS HB2 . 10199 1 126 . 1 1 19 19 GLY N N 15 113.520 0.300 . 1 . . . . 19 GLY N . 10199 1 127 . 1 1 19 19 GLY H H 1 8.182 0.030 . 1 . . . . 19 GLY H . 10199 1 128 . 1 1 19 19 GLY CA C 13 46.219 0.300 . 1 . . . . 19 GLY CA . 10199 1 129 . 1 1 19 19 GLY HA3 H 1 3.689 0.030 . 2 . . . . 19 GLY HA3 . 10199 1 130 . 1 1 19 19 GLY C C 13 173.588 0.300 . 1 . . . . 19 GLY C . 10199 1 131 . 1 1 19 19 GLY HA2 H 1 4.213 0.030 . 2 . . . . 19 GLY HA2 . 10199 1 132 . 1 1 20 20 LYS N N 15 122.589 0.300 . 1 . . . . 20 LYS N . 10199 1 133 . 1 1 20 20 LYS H H 1 7.851 0.030 . 1 . . . . 20 LYS H . 10199 1 134 . 1 1 20 20 LYS CA C 13 58.180 0.300 . 1 . . . . 20 LYS CA . 10199 1 135 . 1 1 20 20 LYS HA H 1 3.939 0.030 . 1 . . . . 20 LYS HA . 10199 1 136 . 1 1 20 20 LYS CB C 13 33.798 0.300 . 1 . . . . 20 LYS CB . 10199 1 137 . 1 1 20 20 LYS HB3 H 1 1.148 0.030 . 2 . . . . 20 LYS HB3 . 10199 1 138 . 1 1 20 20 LYS CG C 13 26.523 0.300 . 1 . . . . 20 LYS CG . 10199 1 139 . 1 1 20 20 LYS HG3 H 1 1.434 0.030 . 2 . . . . 20 LYS HG3 . 10199 1 140 . 1 1 20 20 LYS CD C 13 29.252 0.300 . 1 . . . . 20 LYS CD . 10199 1 141 . 1 1 20 20 LYS HD3 H 1 1.443 0.030 . 1 . . . . 20 LYS HD3 . 10199 1 142 . 1 1 20 20 LYS CE C 13 42.180 0.300 . 1 . . . . 20 LYS CE . 10199 1 143 . 1 1 20 20 LYS HE3 H 1 2.905 0.030 . 1 . . . . 20 LYS HE3 . 10199 1 144 . 1 1 20 20 LYS C C 13 174.180 0.300 . 1 . . . . 20 LYS C . 10199 1 145 . 1 1 20 20 LYS HB2 H 1 1.299 0.030 . 2 . . . . 20 LYS HB2 . 10199 1 146 . 1 1 20 20 LYS HD2 H 1 1.443 0.030 . 1 . . . . 20 LYS HD2 . 10199 1 147 . 1 1 20 20 LYS HE2 H 1 2.905 0.030 . 1 . . . . 20 LYS HE2 . 10199 1 148 . 1 1 20 20 LYS HG2 H 1 1.070 0.030 . 2 . . . . 20 LYS HG2 . 10199 1 149 . 1 1 21 21 VAL N N 15 117.610 0.300 . 1 . . . . 21 VAL N . 10199 1 150 . 1 1 21 21 VAL H H 1 7.594 0.030 . 1 . . . . 21 VAL H . 10199 1 151 . 1 1 21 21 VAL CA C 13 60.526 0.300 . 1 . . . . 21 VAL CA . 10199 1 152 . 1 1 21 21 VAL HA H 1 4.679 0.030 . 1 . . . . 21 VAL HA . 10199 1 153 . 1 1 21 21 VAL CB C 13 34.022 0.300 . 1 . . . . 21 VAL CB . 10199 1 154 . 1 1 21 21 VAL HB H 1 1.695 0.030 . 1 . . . . 21 VAL HB . 10199 1 155 . 1 1 21 21 VAL CG1 C 13 22.083 0.300 . 2 . . . . 21 VAL CG1 . 10199 1 156 . 1 1 21 21 VAL HG11 H 1 0.752 0.030 . 1 . . . . 21 VAL HG1 . 10199 1 157 . 1 1 21 21 VAL HG12 H 1 0.752 0.030 . 1 . . . . 21 VAL HG1 . 10199 1 158 . 1 1 21 21 VAL HG13 H 1 0.752 0.030 . 1 . . . . 21 VAL HG1 . 10199 1 159 . 1 1 21 21 VAL CG2 C 13 20.617 0.300 . 2 . . . . 21 VAL CG2 . 10199 1 160 . 1 1 21 21 VAL HG21 H 1 0.766 0.030 . 1 . . . . 21 VAL HG2 . 10199 1 161 . 1 1 21 21 VAL HG22 H 1 0.766 0.030 . 1 . . . . 21 VAL HG2 . 10199 1 162 . 1 1 21 21 VAL HG23 H 1 0.766 0.030 . 1 . . . . 21 VAL HG2 . 10199 1 163 . 1 1 21 21 VAL C C 13 174.872 0.300 . 1 . . . . 21 VAL C . 10199 1 164 . 1 1 22 22 PHE N N 15 121.976 0.300 . 1 . . . . 22 PHE N . 10199 1 165 . 1 1 22 22 PHE H H 1 8.775 0.030 . 1 . . . . 22 PHE H . 10199 1 166 . 1 1 22 22 PHE CA C 13 56.821 0.300 . 1 . . . . 22 PHE CA . 10199 1 167 . 1 1 22 22 PHE HA H 1 4.800 0.030 . 1 . . . . 22 PHE HA . 10199 1 168 . 1 1 22 22 PHE CB C 13 43.204 0.300 . 1 . . . . 22 PHE CB . 10199 1 169 . 1 1 22 22 PHE HB3 H 1 3.526 0.030 . 2 . . . . 22 PHE HB3 . 10199 1 170 . 1 1 22 22 PHE CD1 C 13 132.361 0.300 . 1 . . . . 22 PHE CD1 . 10199 1 171 . 1 1 22 22 PHE HD1 H 1 7.163 0.030 . 1 . . . . 22 PHE HD1 . 10199 1 172 . 1 1 22 22 PHE CD2 C 13 132.361 0.300 . 1 . . . . 22 PHE CD2 . 10199 1 173 . 1 1 22 22 PHE HD2 H 1 7.163 0.030 . 1 . . . . 22 PHE HD2 . 10199 1 174 . 1 1 22 22 PHE CE1 C 13 130.590 0.300 . 1 . . . . 22 PHE CE1 . 10199 1 175 . 1 1 22 22 PHE HE1 H 1 6.808 0.030 . 1 . . . . 22 PHE HE1 . 10199 1 176 . 1 1 22 22 PHE CE2 C 13 130.590 0.300 . 1 . . . . 22 PHE CE2 . 10199 1 177 . 1 1 22 22 PHE HE2 H 1 6.808 0.030 . 1 . . . . 22 PHE HE2 . 10199 1 178 . 1 1 22 22 PHE CZ C 13 128.739 0.300 . 1 . . . . 22 PHE CZ . 10199 1 179 . 1 1 22 22 PHE HZ H 1 6.183 0.030 . 1 . . . . 22 PHE HZ . 10199 1 180 . 1 1 22 22 PHE C C 13 175.430 0.300 . 1 . . . . 22 PHE C . 10199 1 181 . 1 1 22 22 PHE HB2 H 1 2.655 0.030 . 2 . . . . 22 PHE HB2 . 10199 1 182 . 1 1 23 23 SER CA C 13 60.085 0.300 . 1 . . . . 23 SER CA . 10199 1 183 . 1 1 23 23 SER HA H 1 4.775 0.030 . 1 . . . . 23 SER HA . 10199 1 184 . 1 1 23 23 SER CB C 13 64.261 0.300 . 1 . . . . 23 SER CB . 10199 1 185 . 1 1 23 23 SER HB3 H 1 4.109 0.030 . 2 . . . . 23 SER HB3 . 10199 1 186 . 1 1 23 23 SER C C 13 174.312 0.300 . 1 . . . . 23 SER C . 10199 1 187 . 1 1 23 23 SER HB2 H 1 4.014 0.030 . 2 . . . . 23 SER HB2 . 10199 1 188 . 1 1 24 24 ARG N N 15 116.908 0.300 . 1 . . . . 24 ARG N . 10199 1 189 . 1 1 24 24 ARG H H 1 7.615 0.030 . 1 . . . . 24 ARG H . 10199 1 190 . 1 1 24 24 ARG CA C 13 54.212 0.300 . 1 . . . . 24 ARG CA . 10199 1 191 . 1 1 24 24 ARG HA H 1 4.694 0.030 . 1 . . . . 24 ARG HA . 10199 1 192 . 1 1 24 24 ARG CB C 13 33.940 0.300 . 1 . . . . 24 ARG CB . 10199 1 193 . 1 1 24 24 ARG HB3 H 1 1.470 0.030 . 2 . . . . 24 ARG HB3 . 10199 1 194 . 1 1 24 24 ARG CG C 13 26.978 0.300 . 1 . . . . 24 ARG CG . 10199 1 195 . 1 1 24 24 ARG HG3 H 1 1.617 0.030 . 1 . . . . 24 ARG HG3 . 10199 1 196 . 1 1 24 24 ARG CD C 13 43.341 0.300 . 1 . . . . 24 ARG CD . 10199 1 197 . 1 1 24 24 ARG HD3 H 1 3.217 0.030 . 2 . . . . 24 ARG HD3 . 10199 1 198 . 1 1 24 24 ARG C C 13 176.291 0.300 . 1 . . . . 24 ARG C . 10199 1 199 . 1 1 24 24 ARG HB2 H 1 1.950 0.030 . 2 . . . . 24 ARG HB2 . 10199 1 200 . 1 1 24 24 ARG HD2 H 1 3.132 0.030 . 2 . . . . 24 ARG HD2 . 10199 1 201 . 1 1 24 24 ARG HG2 H 1 1.617 0.030 . 1 . . . . 24 ARG HG2 . 10199 1 202 . 1 1 25 25 ASN CA C 13 56.082 0.300 . 1 . . . . 25 ASN CA . 10199 1 203 . 1 1 25 25 ASN HA H 1 3.539 0.030 . 1 . . . . 25 ASN HA . 10199 1 204 . 1 1 25 25 ASN CB C 13 38.067 0.300 . 1 . . . . 25 ASN CB . 10199 1 205 . 1 1 25 25 ASN HB3 H 1 2.413 0.030 . 2 . . . . 25 ASN HB3 . 10199 1 206 . 1 1 25 25 ASN ND2 N 15 112.708 0.300 . 1 . . . . 25 ASN ND2 . 10199 1 207 . 1 1 25 25 ASN HD21 H 1 6.814 0.030 . 2 . . . . 25 ASN HD21 . 10199 1 208 . 1 1 25 25 ASN HD22 H 1 7.331 0.030 . 2 . . . . 25 ASN HD22 . 10199 1 209 . 1 1 25 25 ASN HB2 H 1 2.112 0.030 . 2 . . . . 25 ASN HB2 . 10199 1 210 . 1 1 26 26 SER CA C 13 60.712 0.300 . 1 . . . . 26 SER CA . 10199 1 211 . 1 1 26 26 SER HA H 1 4.006 0.030 . 1 . . . . 26 SER HA . 10199 1 212 . 1 1 26 26 SER CB C 13 61.415 0.300 . 1 . . . . 26 SER CB . 10199 1 213 . 1 1 26 26 SER HB3 H 1 3.810 0.030 . 1 . . . . 26 SER HB3 . 10199 1 214 . 1 1 26 26 SER C C 13 176.943 0.300 . 1 . . . . 26 SER C . 10199 1 215 . 1 1 26 26 SER HB2 H 1 3.810 0.030 . 1 . . . . 26 SER HB2 . 10199 1 216 . 1 1 27 27 GLN N N 15 120.570 0.300 . 1 . . . . 27 GLN N . 10199 1 217 . 1 1 27 27 GLN H H 1 6.621 0.030 . 1 . . . . 27 GLN H . 10199 1 218 . 1 1 27 27 GLN CA C 13 57.591 0.300 . 1 . . . . 27 GLN CA . 10199 1 219 . 1 1 27 27 GLN HA H 1 3.978 0.030 . 1 . . . . 27 GLN HA . 10199 1 220 . 1 1 27 27 GLN CB C 13 28.835 0.300 . 1 . . . . 27 GLN CB . 10199 1 221 . 1 1 27 27 GLN HB3 H 1 1.987 0.030 . 2 . . . . 27 GLN HB3 . 10199 1 222 . 1 1 27 27 GLN CG C 13 34.225 0.300 . 1 . . . . 27 GLN CG . 10199 1 223 . 1 1 27 27 GLN HG3 H 1 2.455 0.030 . 2 . . . . 27 GLN HG3 . 10199 1 224 . 1 1 27 27 GLN NE2 N 15 111.279 0.300 . 1 . . . . 27 GLN NE2 . 10199 1 225 . 1 1 27 27 GLN HE21 H 1 7.592 0.030 . 2 . . . . 27 GLN HE21 . 10199 1 226 . 1 1 27 27 GLN HE22 H 1 6.997 0.030 . 2 . . . . 27 GLN HE22 . 10199 1 227 . 1 1 27 27 GLN C C 13 178.709 0.300 . 1 . . . . 27 GLN C . 10199 1 228 . 1 1 27 27 GLN HB2 H 1 2.381 0.030 . 2 . . . . 27 GLN HB2 . 10199 1 229 . 1 1 27 27 GLN HG2 H 1 2.255 0.030 . 2 . . . . 27 GLN HG2 . 10199 1 230 . 1 1 28 28 LEU N N 15 121.828 0.300 . 1 . . . . 28 LEU N . 10199 1 231 . 1 1 28 28 LEU H H 1 6.936 0.030 . 1 . . . . 28 LEU H . 10199 1 232 . 1 1 28 28 LEU CA C 13 57.924 0.300 . 1 . . . . 28 LEU CA . 10199 1 233 . 1 1 28 28 LEU HA H 1 3.285 0.030 . 1 . . . . 28 LEU HA . 10199 1 234 . 1 1 28 28 LEU CB C 13 40.174 0.300 . 1 . . . . 28 LEU CB . 10199 1 235 . 1 1 28 28 LEU HB3 H 1 1.213 0.030 . 2 . . . . 28 LEU HB3 . 10199 1 236 . 1 1 28 28 LEU CG C 13 27.473 0.300 . 1 . . . . 28 LEU CG . 10199 1 237 . 1 1 28 28 LEU HG H 1 1.504 0.030 . 1 . . . . 28 LEU HG . 10199 1 238 . 1 1 28 28 LEU CD1 C 13 26.378 0.300 . 2 . . . . 28 LEU CD1 . 10199 1 239 . 1 1 28 28 LEU HD11 H 1 1.019 0.030 . 1 . . . . 28 LEU HD1 . 10199 1 240 . 1 1 28 28 LEU HD12 H 1 1.019 0.030 . 1 . . . . 28 LEU HD1 . 10199 1 241 . 1 1 28 28 LEU HD13 H 1 1.019 0.030 . 1 . . . . 28 LEU HD1 . 10199 1 242 . 1 1 28 28 LEU CD2 C 13 22.806 0.300 . 2 . . . . 28 LEU CD2 . 10199 1 243 . 1 1 28 28 LEU HD21 H 1 1.013 0.030 . 1 . . . . 28 LEU HD2 . 10199 1 244 . 1 1 28 28 LEU HD22 H 1 1.013 0.030 . 1 . . . . 28 LEU HD2 . 10199 1 245 . 1 1 28 28 LEU HD23 H 1 1.013 0.030 . 1 . . . . 28 LEU HD2 . 10199 1 246 . 1 1 28 28 LEU C C 13 177.664 0.300 . 1 . . . . 28 LEU C . 10199 1 247 . 1 1 28 28 LEU HB2 H 1 2.011 0.030 . 2 . . . . 28 LEU HB2 . 10199 1 248 . 1 1 29 29 SER N N 15 114.464 0.300 . 1 . . . . 29 SER N . 10199 1 249 . 1 1 29 29 SER H H 1 8.367 0.030 . 1 . . . . 29 SER H . 10199 1 250 . 1 1 29 29 SER CA C 13 61.619 0.300 . 1 . . . . 29 SER CA . 10199 1 251 . 1 1 29 29 SER HA H 1 4.166 0.030 . 1 . . . . 29 SER HA . 10199 1 252 . 1 1 29 29 SER CB C 13 62.410 0.300 . 1 . . . . 29 SER CB . 10199 1 253 . 1 1 29 29 SER HB3 H 1 3.793 0.030 . 1 . . . . 29 SER HB3 . 10199 1 254 . 1 1 29 29 SER C C 13 177.169 0.300 . 1 . . . . 29 SER C . 10199 1 255 . 1 1 29 29 SER HB2 H 1 3.793 0.030 . 1 . . . . 29 SER HB2 . 10199 1 256 . 1 1 30 30 GLN N N 15 119.104 0.300 . 1 . . . . 30 GLN N . 10199 1 257 . 1 1 30 30 GLN H H 1 7.378 0.030 . 1 . . . . 30 GLN H . 10199 1 258 . 1 1 30 30 GLN CA C 13 58.502 0.300 . 1 . . . . 30 GLN CA . 10199 1 259 . 1 1 30 30 GLN HA H 1 3.949 0.030 . 1 . . . . 30 GLN HA . 10199 1 260 . 1 1 30 30 GLN CB C 13 28.439 0.300 . 1 . . . . 30 GLN CB . 10199 1 261 . 1 1 30 30 GLN HB3 H 1 2.011 0.030 . 2 . . . . 30 GLN HB3 . 10199 1 262 . 1 1 30 30 GLN CG C 13 33.408 0.300 . 1 . . . . 30 GLN CG . 10199 1 263 . 1 1 30 30 GLN HG3 H 1 2.376 0.030 . 1 . . . . 30 GLN HG3 . 10199 1 264 . 1 1 30 30 GLN NE2 N 15 112.362 0.300 . 1 . . . . 30 GLN NE2 . 10199 1 265 . 1 1 30 30 GLN HE21 H 1 7.425 0.030 . 2 . . . . 30 GLN HE21 . 10199 1 266 . 1 1 30 30 GLN HE22 H 1 6.876 0.030 . 2 . . . . 30 GLN HE22 . 10199 1 267 . 1 1 30 30 GLN C C 13 178.325 0.300 . 1 . . . . 30 GLN C . 10199 1 268 . 1 1 30 30 GLN HB2 H 1 1.957 0.030 . 2 . . . . 30 GLN HB2 . 10199 1 269 . 1 1 30 30 GLN HG2 H 1 2.376 0.030 . 1 . . . . 30 GLN HG2 . 10199 1 270 . 1 1 31 31 HIS N N 15 119.372 0.300 . 1 . . . . 31 HIS N . 10199 1 271 . 1 1 31 31 HIS H H 1 7.619 0.030 . 1 . . . . 31 HIS H . 10199 1 272 . 1 1 31 31 HIS CA C 13 59.042 0.300 . 1 . . . . 31 HIS CA . 10199 1 273 . 1 1 31 31 HIS HA H 1 4.149 0.030 . 1 . . . . 31 HIS HA . 10199 1 274 . 1 1 31 31 HIS CB C 13 28.503 0.300 . 1 . . . . 31 HIS CB . 10199 1 275 . 1 1 31 31 HIS HB3 H 1 2.814 0.030 . 2 . . . . 31 HIS HB3 . 10199 1 276 . 1 1 31 31 HIS CD2 C 13 127.101 0.300 . 1 . . . . 31 HIS CD2 . 10199 1 277 . 1 1 31 31 HIS HD2 H 1 6.931 0.030 . 1 . . . . 31 HIS HD2 . 10199 1 278 . 1 1 31 31 HIS CE1 C 13 139.674 0.300 . 1 . . . . 31 HIS CE1 . 10199 1 279 . 1 1 31 31 HIS HE1 H 1 8.026 0.030 . 1 . . . . 31 HIS HE1 . 10199 1 280 . 1 1 31 31 HIS C C 13 176.154 0.300 . 1 . . . . 31 HIS C . 10199 1 281 . 1 1 31 31 HIS HB2 H 1 3.083 0.030 . 2 . . . . 31 HIS HB2 . 10199 1 282 . 1 1 32 32 GLN N N 15 114.990 0.300 . 1 . . . . 32 GLN N . 10199 1 283 . 1 1 32 32 GLN H H 1 8.319 0.030 . 1 . . . . 32 GLN H . 10199 1 284 . 1 1 32 32 GLN CA C 13 59.299 0.300 . 1 . . . . 32 GLN CA . 10199 1 285 . 1 1 32 32 GLN HA H 1 3.653 0.030 . 1 . . . . 32 GLN HA . 10199 1 286 . 1 1 32 32 GLN CB C 13 28.260 0.300 . 1 . . . . 32 GLN CB . 10199 1 287 . 1 1 32 32 GLN HB3 H 1 2.181 0.030 . 2 . . . . 32 GLN HB3 . 10199 1 288 . 1 1 32 32 GLN CG C 13 35.298 0.300 . 1 . . . . 32 GLN CG . 10199 1 289 . 1 1 32 32 GLN HG3 H 1 2.771 0.030 . 1 . . . . 32 GLN HG3 . 10199 1 290 . 1 1 32 32 GLN NE2 N 15 112.534 0.300 . 1 . . . . 32 GLN NE2 . 10199 1 291 . 1 1 32 32 GLN HE21 H 1 7.031 0.030 . 2 . . . . 32 GLN HE21 . 10199 1 292 . 1 1 32 32 GLN HE22 H 1 7.567 0.030 . 2 . . . . 32 GLN HE22 . 10199 1 293 . 1 1 32 32 GLN C C 13 177.281 0.300 . 1 . . . . 32 GLN C . 10199 1 294 . 1 1 32 32 GLN HB2 H 1 2.259 0.030 . 2 . . . . 32 GLN HB2 . 10199 1 295 . 1 1 32 32 GLN HG2 H 1 2.771 0.030 . 1 . . . . 32 GLN HG2 . 10199 1 296 . 1 1 33 33 LYS N N 15 117.343 0.300 . 1 . . . . 33 LYS N . 10199 1 297 . 1 1 33 33 LYS H H 1 7.039 0.030 . 1 . . . . 33 LYS H . 10199 1 298 . 1 1 33 33 LYS CA C 13 58.503 0.300 . 1 . . . . 33 LYS CA . 10199 1 299 . 1 1 33 33 LYS HA H 1 4.067 0.030 . 1 . . . . 33 LYS HA . 10199 1 300 . 1 1 33 33 LYS CB C 13 32.207 0.300 . 1 . . . . 33 LYS CB . 10199 1 301 . 1 1 33 33 LYS HB3 H 1 1.731 0.030 . 2 . . . . 33 LYS HB3 . 10199 1 302 . 1 1 33 33 LYS CG C 13 25.276 0.300 . 1 . . . . 33 LYS CG . 10199 1 303 . 1 1 33 33 LYS HG3 H 1 1.577 0.030 . 2 . . . . 33 LYS HG3 . 10199 1 304 . 1 1 33 33 LYS CD C 13 29.059 0.300 . 1 . . . . 33 LYS CD . 10199 1 305 . 1 1 33 33 LYS HD3 H 1 1.622 0.030 . 1 . . . . 33 LYS HD3 . 10199 1 306 . 1 1 33 33 LYS CE C 13 42.154 0.300 . 1 . . . . 33 LYS CE . 10199 1 307 . 1 1 33 33 LYS HE3 H 1 2.904 0.030 . 1 . . . . 33 LYS HE3 . 10199 1 308 . 1 1 33 33 LYS C C 13 178.726 0.300 . 1 . . . . 33 LYS C . 10199 1 309 . 1 1 33 33 LYS HB2 H 1 1.808 0.030 . 2 . . . . 33 LYS HB2 . 10199 1 310 . 1 1 33 33 LYS HD2 H 1 1.622 0.030 . 1 . . . . 33 LYS HD2 . 10199 1 311 . 1 1 33 33 LYS HE2 H 1 2.904 0.030 . 1 . . . . 33 LYS HE2 . 10199 1 312 . 1 1 33 33 LYS HG2 H 1 1.408 0.030 . 2 . . . . 33 LYS HG2 . 10199 1 313 . 1 1 34 34 ILE N N 15 116.207 0.300 . 1 . . . . 34 ILE N . 10199 1 314 . 1 1 34 34 ILE H H 1 7.787 0.030 . 1 . . . . 34 ILE H . 10199 1 315 . 1 1 34 34 ILE CA C 13 62.920 0.300 . 1 . . . . 34 ILE CA . 10199 1 316 . 1 1 34 34 ILE HA H 1 3.951 0.030 . 1 . . . . 34 ILE HA . 10199 1 317 . 1 1 34 34 ILE CB C 13 37.707 0.300 . 1 . . . . 34 ILE CB . 10199 1 318 . 1 1 34 34 ILE HB H 1 1.642 0.030 . 1 . . . . 34 ILE HB . 10199 1 319 . 1 1 34 34 ILE CG1 C 13 26.708 0.300 . 1 . . . . 34 ILE CG1 . 10199 1 320 . 1 1 34 34 ILE HG13 H 1 0.740 0.030 . 2 . . . . 34 ILE HG13 . 10199 1 321 . 1 1 34 34 ILE CG2 C 13 16.475 0.300 . 1 . . . . 34 ILE CG2 . 10199 1 322 . 1 1 34 34 ILE HG21 H 1 0.530 0.030 . 1 . . . . 34 ILE HG2 . 10199 1 323 . 1 1 34 34 ILE HG22 H 1 0.530 0.030 . 1 . . . . 34 ILE HG2 . 10199 1 324 . 1 1 34 34 ILE HG23 H 1 0.530 0.030 . 1 . . . . 34 ILE HG2 . 10199 1 325 . 1 1 34 34 ILE CD1 C 13 14.315 0.300 . 1 . . . . 34 ILE CD1 . 10199 1 326 . 1 1 34 34 ILE HD11 H 1 0.673 0.030 . 1 . . . . 34 ILE HD1 . 10199 1 327 . 1 1 34 34 ILE HD12 H 1 0.673 0.030 . 1 . . . . 34 ILE HD1 . 10199 1 328 . 1 1 34 34 ILE HD13 H 1 0.673 0.030 . 1 . . . . 34 ILE HD1 . 10199 1 329 . 1 1 34 34 ILE C C 13 177.373 0.300 . 1 . . . . 34 ILE C . 10199 1 330 . 1 1 34 34 ILE HG12 H 1 0.909 0.030 . 2 . . . . 34 ILE HG12 . 10199 1 331 . 1 1 35 35 HIS N N 15 117.836 0.300 . 1 . . . . 35 HIS N . 10199 1 332 . 1 1 35 35 HIS H H 1 7.199 0.030 . 1 . . . . 35 HIS H . 10199 1 333 . 1 1 35 35 HIS CA C 13 55.161 0.300 . 1 . . . . 35 HIS CA . 10199 1 334 . 1 1 35 35 HIS HA H 1 4.846 0.030 . 1 . . . . 35 HIS HA . 10199 1 335 . 1 1 35 35 HIS CB C 13 28.503 0.300 . 1 . . . . 35 HIS CB . 10199 1 336 . 1 1 35 35 HIS HB3 H 1 3.204 0.030 . 2 . . . . 35 HIS HB3 . 10199 1 337 . 1 1 35 35 HIS CD2 C 13 127.606 0.300 . 1 . . . . 35 HIS CD2 . 10199 1 338 . 1 1 35 35 HIS HD2 H 1 6.738 0.030 . 1 . . . . 35 HIS HD2 . 10199 1 339 . 1 1 35 35 HIS CE1 C 13 139.995 0.300 . 1 . . . . 35 HIS CE1 . 10199 1 340 . 1 1 35 35 HIS HE1 H 1 8.038 0.030 . 1 . . . . 35 HIS HE1 . 10199 1 341 . 1 1 35 35 HIS C C 13 175.779 0.300 . 1 . . . . 35 HIS C . 10199 1 342 . 1 1 35 35 HIS HB2 H 1 3.317 0.030 . 2 . . . . 35 HIS HB2 . 10199 1 343 . 1 1 36 36 THR N N 15 111.873 0.300 . 1 . . . . 36 THR N . 10199 1 344 . 1 1 36 36 THR H H 1 7.764 0.030 . 1 . . . . 36 THR H . 10199 1 345 . 1 1 36 36 THR CA C 13 62.503 0.300 . 1 . . . . 36 THR CA . 10199 1 346 . 1 1 36 36 THR HA H 1 4.321 0.030 . 1 . . . . 36 THR HA . 10199 1 347 . 1 1 36 36 THR CB C 13 69.764 0.300 . 1 . . . . 36 THR CB . 10199 1 348 . 1 1 36 36 THR HB H 1 4.297 0.030 . 1 . . . . 36 THR HB . 10199 1 349 . 1 1 36 36 THR CG2 C 13 21.595 0.300 . 1 . . . . 36 THR CG2 . 10199 1 350 . 1 1 36 36 THR HG21 H 1 1.205 0.030 . 1 . . . . 36 THR HG2 . 10199 1 351 . 1 1 36 36 THR HG22 H 1 1.205 0.030 . 1 . . . . 36 THR HG2 . 10199 1 352 . 1 1 36 36 THR HG23 H 1 1.205 0.030 . 1 . . . . 36 THR HG2 . 10199 1 353 . 1 1 36 36 THR C C 13 175.480 0.300 . 1 . . . . 36 THR C . 10199 1 354 . 1 1 37 37 GLY CA C 13 45.290 0.300 . 1 . . . . 37 GLY CA . 10199 1 355 . 1 1 37 37 GLY HA2 H 1 3.948 0.030 . 2 . . . . 37 GLY HA2 . 10199 1 356 . 1 1 38 38 GLU N N 15 120.760 0.300 . 1 . . . . 38 GLU N . 10199 1 357 . 1 1 38 38 GLU H H 1 8.217 0.030 . 1 . . . . 38 GLU H . 10199 1 358 . 1 1 38 38 GLU CA C 13 56.439 0.300 . 1 . . . . 38 GLU CA . 10199 1 359 . 1 1 38 38 GLU HA H 1 4.217 0.030 . 1 . . . . 38 GLU HA . 10199 1 360 . 1 1 38 38 GLU CB C 13 30.508 0.300 . 1 . . . . 38 GLU CB . 10199 1 361 . 1 1 38 38 GLU HB3 H 1 1.873 0.030 . 2 . . . . 38 GLU HB3 . 10199 1 362 . 1 1 38 38 GLU CG C 13 36.256 0.300 . 1 . . . . 38 GLU CG . 10199 1 363 . 1 1 38 38 GLU HG3 H 1 2.234 0.030 . 2 . . . . 38 GLU HG3 . 10199 1 364 . 1 1 38 38 GLU C C 13 176.214 0.300 . 1 . . . . 38 GLU C . 10199 1 365 . 1 1 38 38 GLU HB2 H 1 1.968 0.030 . 2 . . . . 38 GLU HB2 . 10199 1 366 . 1 1 38 38 GLU HG2 H 1 2.180 0.030 . 2 . . . . 38 GLU HG2 . 10199 1 367 . 1 1 39 39 LYS N N 15 123.748 0.300 . 1 . . . . 39 LYS N . 10199 1 368 . 1 1 39 39 LYS H H 1 8.367 0.030 . 1 . . . . 39 LYS H . 10199 1 369 . 1 1 39 39 LYS CA C 13 54.060 0.300 . 1 . . . . 39 LYS CA . 10199 1 370 . 1 1 39 39 LYS HA H 1 4.579 0.030 . 1 . . . . 39 LYS HA . 10199 1 371 . 1 1 39 39 LYS CB C 13 32.498 0.300 . 1 . . . . 39 LYS CB . 10199 1 372 . 1 1 39 39 LYS HB3 H 1 1.689 0.030 . 2 . . . . 39 LYS HB3 . 10199 1 373 . 1 1 39 39 LYS CG C 13 24.466 0.300 . 1 . . . . 39 LYS CG . 10199 1 374 . 1 1 39 39 LYS HG3 H 1 1.436 0.030 . 1 . . . . 39 LYS HG3 . 10199 1 375 . 1 1 39 39 LYS CD C 13 29.098 0.300 . 1 . . . . 39 LYS CD . 10199 1 376 . 1 1 39 39 LYS HD3 H 1 1.650 0.030 . 1 . . . . 39 LYS HD3 . 10199 1 377 . 1 1 39 39 LYS CE C 13 42.175 0.300 . 1 . . . . 39 LYS CE . 10199 1 378 . 1 1 39 39 LYS HE3 H 1 2.964 0.030 . 1 . . . . 39 LYS HE3 . 10199 1 379 . 1 1 39 39 LYS C C 13 174.434 0.300 . 1 . . . . 39 LYS C . 10199 1 380 . 1 1 39 39 LYS HB2 H 1 1.783 0.030 . 2 . . . . 39 LYS HB2 . 10199 1 381 . 1 1 39 39 LYS HD2 H 1 1.650 0.030 . 1 . . . . 39 LYS HD2 . 10199 1 382 . 1 1 39 39 LYS HE2 H 1 2.964 0.030 . 1 . . . . 39 LYS HE2 . 10199 1 383 . 1 1 39 39 LYS HG2 H 1 1.436 0.030 . 1 . . . . 39 LYS HG2 . 10199 1 384 . 1 1 40 40 PRO CA C 13 63.176 0.300 . 1 . . . . 40 PRO CA . 10199 1 385 . 1 1 40 40 PRO HA H 1 4.425 0.030 . 1 . . . . 40 PRO HA . 10199 1 386 . 1 1 40 40 PRO CB C 13 32.185 0.300 . 1 . . . . 40 PRO CB . 10199 1 387 . 1 1 40 40 PRO HB3 H 1 1.911 0.030 . 2 . . . . 40 PRO HB3 . 10199 1 388 . 1 1 40 40 PRO CG C 13 27.370 0.300 . 1 . . . . 40 PRO CG . 10199 1 389 . 1 1 40 40 PRO HG3 H 1 1.987 0.030 . 1 . . . . 40 PRO HG3 . 10199 1 390 . 1 1 40 40 PRO CD C 13 50.696 0.300 . 1 . . . . 40 PRO CD . 10199 1 391 . 1 1 40 40 PRO HD3 H 1 3.610 0.030 . 2 . . . . 40 PRO HD3 . 10199 1 392 . 1 1 40 40 PRO HB2 H 1 2.274 0.030 . 2 . . . . 40 PRO HB2 . 10199 1 393 . 1 1 40 40 PRO HD2 H 1 3.794 0.030 . 2 . . . . 40 PRO HD2 . 10199 1 394 . 1 1 40 40 PRO HG2 H 1 1.987 0.030 . 1 . . . . 40 PRO HG2 . 10199 1 395 . 1 1 41 41 SER N N 15 116.530 0.300 . 1 . . . . 41 SER N . 10199 1 396 . 1 1 41 41 SER H H 1 8.478 0.030 . 1 . . . . 41 SER H . 10199 1 397 . 1 1 43 43 PRO CA C 13 63.216 0.300 . 1 . . . . 43 PRO CA . 10199 1 398 . 1 1 43 43 PRO HA H 1 4.443 0.030 . 1 . . . . 43 PRO HA . 10199 1 399 . 1 1 43 43 PRO CB C 13 32.152 0.300 . 1 . . . . 43 PRO CB . 10199 1 400 . 1 1 43 43 PRO HB3 H 1 1.910 0.030 . 2 . . . . 43 PRO HB3 . 10199 1 401 . 1 1 43 43 PRO CG C 13 27.143 0.300 . 1 . . . . 43 PRO CG . 10199 1 402 . 1 1 43 43 PRO HG3 H 1 1.984 0.030 . 1 . . . . 43 PRO HG3 . 10199 1 403 . 1 1 43 43 PRO CD C 13 49.756 0.300 . 1 . . . . 43 PRO CD . 10199 1 404 . 1 1 43 43 PRO HD3 H 1 3.596 0.030 . 1 . . . . 43 PRO HD3 . 10199 1 405 . 1 1 43 43 PRO HB2 H 1 2.288 0.030 . 2 . . . . 43 PRO HB2 . 10199 1 406 . 1 1 43 43 PRO HD2 H 1 3.596 0.030 . 1 . . . . 43 PRO HD2 . 10199 1 407 . 1 1 43 43 PRO HG2 H 1 1.984 0.030 . 1 . . . . 43 PRO HG2 . 10199 1 408 . 1 1 45 45 SER CA C 13 58.350 0.300 . 1 . . . . 45 SER CA . 10199 1 409 . 1 1 45 45 SER HA H 1 4.462 0.030 . 1 . . . . 45 SER HA . 10199 1 410 . 1 1 45 45 SER CB C 13 63.976 0.300 . 1 . . . . 45 SER CB . 10199 1 411 . 1 1 45 45 SER HB2 H 1 3.837 0.030 . 2 . . . . 45 SER HB2 . 10199 1 412 . 1 1 46 46 GLY N N 15 116.841 0.300 . 1 . . . . 46 GLY N . 10199 1 413 . 1 1 46 46 GLY H H 1 8.031 0.030 . 1 . . . . 46 GLY H . 10199 1 stop_ save_