################################### # 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 11238 _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 11238 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11238 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11238 1 2 $NMRPipe . . 11238 1 3 $NMRVIEW . . 11238 1 4 $Kujira . . 11238 1 5 $CYANA . . 11238 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 HA2 H 1 3.976 0.030 . 1 . . . . 7 GLY HA2 . 11238 1 2 . 1 1 7 7 GLY HA3 H 1 3.976 0.030 . 1 . . . . 7 GLY HA3 . 11238 1 3 . 1 1 7 7 GLY C C 13 174.086 0.300 . 1 . . . . 7 GLY C . 11238 1 4 . 1 1 7 7 GLY CA C 13 45.449 0.300 . 1 . . . . 7 GLY CA . 11238 1 5 . 1 1 8 8 LYS H H 1 8.160 0.030 . 1 . . . . 8 LYS H . 11238 1 6 . 1 1 8 8 LYS HA H 1 4.340 0.030 . 1 . . . . 8 LYS HA . 11238 1 7 . 1 1 8 8 LYS HB2 H 1 1.837 0.030 . 2 . . . . 8 LYS HB2 . 11238 1 8 . 1 1 8 8 LYS HB3 H 1 1.732 0.030 . 2 . . . . 8 LYS HB3 . 11238 1 9 . 1 1 8 8 LYS HD2 H 1 1.680 0.030 . 1 . . . . 8 LYS HD2 . 11238 1 10 . 1 1 8 8 LYS HD3 H 1 1.680 0.030 . 1 . . . . 8 LYS HD3 . 11238 1 11 . 1 1 8 8 LYS HE2 H 1 3.000 0.030 . 1 . . . . 8 LYS HE2 . 11238 1 12 . 1 1 8 8 LYS HE3 H 1 3.000 0.030 . 1 . . . . 8 LYS HE3 . 11238 1 13 . 1 1 8 8 LYS HG2 H 1 1.402 0.030 . 2 . . . . 8 LYS HG2 . 11238 1 14 . 1 1 8 8 LYS HG3 H 1 1.452 0.030 . 2 . . . . 8 LYS HG3 . 11238 1 15 . 1 1 8 8 LYS C C 13 176.288 0.300 . 1 . . . . 8 LYS C . 11238 1 16 . 1 1 8 8 LYS CA C 13 56.062 0.300 . 1 . . . . 8 LYS CA . 11238 1 17 . 1 1 8 8 LYS CB C 13 33.084 0.300 . 1 . . . . 8 LYS CB . 11238 1 18 . 1 1 8 8 LYS CD C 13 29.099 0.300 . 1 . . . . 8 LYS CD . 11238 1 19 . 1 1 8 8 LYS CE C 13 42.151 0.300 . 1 . . . . 8 LYS CE . 11238 1 20 . 1 1 8 8 LYS CG C 13 24.778 0.300 . 1 . . . . 8 LYS CG . 11238 1 21 . 1 1 8 8 LYS N N 15 120.873 0.300 . 1 . . . . 8 LYS N . 11238 1 22 . 1 1 9 9 LYS H H 1 8.374 0.030 . 1 . . . . 9 LYS H . 11238 1 23 . 1 1 9 9 LYS HA H 1 4.588 0.030 . 1 . . . . 9 LYS HA . 11238 1 24 . 1 1 9 9 LYS HB2 H 1 1.724 0.030 . 2 . . . . 9 LYS HB2 . 11238 1 25 . 1 1 9 9 LYS HB3 H 1 1.830 0.030 . 2 . . . . 9 LYS HB3 . 11238 1 26 . 1 1 9 9 LYS HD2 H 1 1.688 0.030 . 1 . . . . 9 LYS HD2 . 11238 1 27 . 1 1 9 9 LYS HD3 H 1 1.688 0.030 . 1 . . . . 9 LYS HD3 . 11238 1 28 . 1 1 9 9 LYS HE2 H 1 3.006 0.030 . 1 . . . . 9 LYS HE2 . 11238 1 29 . 1 1 9 9 LYS HE3 H 1 3.006 0.030 . 1 . . . . 9 LYS HE3 . 11238 1 30 . 1 1 9 9 LYS HG2 H 1 1.496 0.030 . 2 . . . . 9 LYS HG2 . 11238 1 31 . 1 1 9 9 LYS HG3 H 1 1.451 0.030 . 2 . . . . 9 LYS HG3 . 11238 1 32 . 1 1 9 9 LYS C C 13 174.569 0.300 . 1 . . . . 9 LYS C . 11238 1 33 . 1 1 9 9 LYS CA C 13 54.234 0.300 . 1 . . . . 9 LYS CA . 11238 1 34 . 1 1 9 9 LYS CB C 13 32.443 0.300 . 1 . . . . 9 LYS CB . 11238 1 35 . 1 1 9 9 LYS CD C 13 29.206 0.300 . 1 . . . . 9 LYS CD . 11238 1 36 . 1 1 9 9 LYS CE C 13 42.216 0.300 . 1 . . . . 9 LYS CE . 11238 1 37 . 1 1 9 9 LYS CG C 13 24.673 0.300 . 1 . . . . 9 LYS CG . 11238 1 38 . 1 1 9 9 LYS N N 15 124.269 0.300 . 1 . . . . 9 LYS N . 11238 1 39 . 1 1 10 10 PRO HA H 1 4.458 0.030 . 1 . . . . 10 PRO HA . 11238 1 40 . 1 1 10 10 PRO HB2 H 1 2.210 0.030 . 2 . . . . 10 PRO HB2 . 11238 1 41 . 1 1 10 10 PRO HB3 H 1 1.839 0.030 . 2 . . . . 10 PRO HB3 . 11238 1 42 . 1 1 10 10 PRO HD2 H 1 3.653 0.030 . 2 . . . . 10 PRO HD2 . 11238 1 43 . 1 1 10 10 PRO HD3 H 1 3.815 0.030 . 2 . . . . 10 PRO HD3 . 11238 1 44 . 1 1 10 10 PRO HG2 H 1 1.982 0.030 . 1 . . . . 10 PRO HG2 . 11238 1 45 . 1 1 10 10 PRO HG3 H 1 1.982 0.030 . 1 . . . . 10 PRO HG3 . 11238 1 46 . 1 1 10 10 PRO C C 13 176.338 0.300 . 1 . . . . 10 PRO C . 11238 1 47 . 1 1 10 10 PRO CA C 13 63.087 0.300 . 1 . . . . 10 PRO CA . 11238 1 48 . 1 1 10 10 PRO CB C 13 32.346 0.300 . 1 . . . . 10 PRO CB . 11238 1 49 . 1 1 10 10 PRO CD C 13 50.609 0.300 . 1 . . . . 10 PRO CD . 11238 1 50 . 1 1 10 10 PRO CG C 13 27.256 0.300 . 1 . . . . 10 PRO CG . 11238 1 51 . 1 1 11 11 LEU H H 1 8.512 0.030 . 1 . . . . 11 LEU H . 11238 1 52 . 1 1 11 11 LEU HA H 1 4.490 0.030 . 1 . . . . 11 LEU HA . 11238 1 53 . 1 1 11 11 LEU HB2 H 1 1.465 0.030 . 2 . . . . 11 LEU HB2 . 11238 1 54 . 1 1 11 11 LEU HB3 H 1 1.835 0.030 . 2 . . . . 11 LEU HB3 . 11238 1 55 . 1 1 11 11 LEU HD11 H 1 0.739 0.030 . 1 . . . . 11 LEU HD1 . 11238 1 56 . 1 1 11 11 LEU HD12 H 1 0.739 0.030 . 1 . . . . 11 LEU HD1 . 11238 1 57 . 1 1 11 11 LEU HD13 H 1 0.739 0.030 . 1 . . . . 11 LEU HD1 . 11238 1 58 . 1 1 11 11 LEU HD21 H 1 0.801 0.030 . 1 . . . . 11 LEU HD2 . 11238 1 59 . 1 1 11 11 LEU HD22 H 1 0.801 0.030 . 1 . . . . 11 LEU HD2 . 11238 1 60 . 1 1 11 11 LEU HD23 H 1 0.801 0.030 . 1 . . . . 11 LEU HD2 . 11238 1 61 . 1 1 11 11 LEU HG H 1 1.663 0.030 . 1 . . . . 11 LEU HG . 11238 1 62 . 1 1 11 11 LEU C C 13 175.430 0.300 . 1 . . . . 11 LEU C . 11238 1 63 . 1 1 11 11 LEU CA C 13 54.146 0.300 . 1 . . . . 11 LEU CA . 11238 1 64 . 1 1 11 11 LEU CB C 13 42.268 0.300 . 1 . . . . 11 LEU CB . 11238 1 65 . 1 1 11 11 LEU CD1 C 13 25.461 0.300 . 2 . . . . 11 LEU CD1 . 11238 1 66 . 1 1 11 11 LEU CD2 C 13 23.275 0.300 . 2 . . . . 11 LEU CD2 . 11238 1 67 . 1 1 11 11 LEU CG C 13 26.837 0.300 . 1 . . . . 11 LEU CG . 11238 1 68 . 1 1 11 11 LEU N N 15 122.431 0.300 . 1 . . . . 11 LEU N . 11238 1 69 . 1 1 12 12 VAL H H 1 8.033 0.030 . 1 . . . . 12 VAL H . 11238 1 70 . 1 1 12 12 VAL HA H 1 4.715 0.030 . 1 . . . . 12 VAL HA . 11238 1 71 . 1 1 12 12 VAL HB H 1 1.807 0.030 . 1 . . . . 12 VAL HB . 11238 1 72 . 1 1 12 12 VAL HG11 H 1 0.811 0.030 . 1 . . . . 12 VAL HG1 . 11238 1 73 . 1 1 12 12 VAL HG12 H 1 0.811 0.030 . 1 . . . . 12 VAL HG1 . 11238 1 74 . 1 1 12 12 VAL HG13 H 1 0.811 0.030 . 1 . . . . 12 VAL HG1 . 11238 1 75 . 1 1 12 12 VAL HG21 H 1 0.749 0.030 . 1 . . . . 12 VAL HG2 . 11238 1 76 . 1 1 12 12 VAL HG22 H 1 0.749 0.030 . 1 . . . . 12 VAL HG2 . 11238 1 77 . 1 1 12 12 VAL HG23 H 1 0.749 0.030 . 1 . . . . 12 VAL HG2 . 11238 1 78 . 1 1 12 12 VAL C C 13 175.229 0.300 . 1 . . . . 12 VAL C . 11238 1 79 . 1 1 12 12 VAL CA C 13 60.141 0.300 . 1 . . . . 12 VAL CA . 11238 1 80 . 1 1 12 12 VAL CB C 13 35.388 0.300 . 1 . . . . 12 VAL CB . 11238 1 81 . 1 1 12 12 VAL CG1 C 13 21.287 0.300 . 2 . . . . 12 VAL CG1 . 11238 1 82 . 1 1 12 12 VAL CG2 C 13 20.413 0.300 . 2 . . . . 12 VAL CG2 . 11238 1 83 . 1 1 12 12 VAL N N 15 120.938 0.300 . 1 . . . . 12 VAL N . 11238 1 84 . 1 1 13 13 CYS H H 1 9.064 0.030 . 1 . . . . 13 CYS H . 11238 1 85 . 1 1 13 13 CYS HA H 1 4.546 0.030 . 1 . . . . 13 CYS HA . 11238 1 86 . 1 1 13 13 CYS HB2 H 1 3.376 0.030 . 2 . . . . 13 CYS HB2 . 11238 1 87 . 1 1 13 13 CYS HB3 H 1 2.844 0.030 . 2 . . . . 13 CYS HB3 . 11238 1 88 . 1 1 13 13 CYS C C 13 176.859 0.300 . 1 . . . . 13 CYS C . 11238 1 89 . 1 1 13 13 CYS CA C 13 59.260 0.300 . 1 . . . . 13 CYS CA . 11238 1 90 . 1 1 13 13 CYS CB C 13 29.362 0.300 . 1 . . . . 13 CYS CB . 11238 1 91 . 1 1 13 13 CYS N N 15 127.466 0.300 . 1 . . . . 13 CYS N . 11238 1 92 . 1 1 14 14 ASN H H 1 9.355 0.030 . 1 . . . . 14 ASN H . 11238 1 93 . 1 1 14 14 ASN HA H 1 4.486 0.030 . 1 . . . . 14 ASN HA . 11238 1 94 . 1 1 14 14 ASN HB2 H 1 2.866 0.030 . 1 . . . . 14 ASN HB2 . 11238 1 95 . 1 1 14 14 ASN HB3 H 1 2.866 0.030 . 1 . . . . 14 ASN HB3 . 11238 1 96 . 1 1 14 14 ASN HD21 H 1 7.688 0.030 . 2 . . . . 14 ASN HD21 . 11238 1 97 . 1 1 14 14 ASN HD22 H 1 6.952 0.030 . 2 . . . . 14 ASN HD22 . 11238 1 98 . 1 1 14 14 ASN C C 13 175.363 0.300 . 1 . . . . 14 ASN C . 11238 1 99 . 1 1 14 14 ASN CA C 13 55.732 0.300 . 1 . . . . 14 ASN CA . 11238 1 100 . 1 1 14 14 ASN CB C 13 38.303 0.300 . 1 . . . . 14 ASN CB . 11238 1 101 . 1 1 14 14 ASN N N 15 130.570 0.300 . 1 . . . . 14 ASN N . 11238 1 102 . 1 1 14 14 ASN ND2 N 15 113.333 0.300 . 1 . . . . 14 ASN ND2 . 11238 1 103 . 1 1 15 15 GLU H H 1 8.616 0.030 . 1 . . . . 15 GLU H . 11238 1 104 . 1 1 15 15 GLU HA H 1 4.216 0.030 . 1 . . . . 15 GLU HA . 11238 1 105 . 1 1 15 15 GLU HB2 H 1 1.302 0.030 . 1 . . . . 15 GLU HB2 . 11238 1 106 . 1 1 15 15 GLU HB3 H 1 1.302 0.030 . 1 . . . . 15 GLU HB3 . 11238 1 107 . 1 1 15 15 GLU HG2 H 1 1.804 0.030 . 2 . . . . 15 GLU HG2 . 11238 1 108 . 1 1 15 15 GLU HG3 H 1 1.903 0.030 . 2 . . . . 15 GLU HG3 . 11238 1 109 . 1 1 15 15 GLU C C 13 177.162 0.300 . 1 . . . . 15 GLU C . 11238 1 110 . 1 1 15 15 GLU CA C 13 58.296 0.300 . 1 . . . . 15 GLU CA . 11238 1 111 . 1 1 15 15 GLU CB C 13 29.417 0.300 . 1 . . . . 15 GLU CB . 11238 1 112 . 1 1 15 15 GLU CG C 13 35.786 0.300 . 1 . . . . 15 GLU CG . 11238 1 113 . 1 1 15 15 GLU N N 15 120.165 0.300 . 1 . . . . 15 GLU N . 11238 1 114 . 1 1 16 16 CYS H H 1 7.842 0.030 . 1 . . . . 16 CYS H . 11238 1 115 . 1 1 16 16 CYS HA H 1 5.175 0.030 . 1 . . . . 16 CYS HA . 11238 1 116 . 1 1 16 16 CYS HB2 H 1 2.875 0.030 . 2 . . . . 16 CYS HB2 . 11238 1 117 . 1 1 16 16 CYS HB3 H 1 3.437 0.030 . 2 . . . . 16 CYS HB3 . 11238 1 118 . 1 1 16 16 CYS C C 13 176.308 0.300 . 1 . . . . 16 CYS C . 11238 1 119 . 1 1 16 16 CYS CA C 13 58.401 0.300 . 1 . . . . 16 CYS CA . 11238 1 120 . 1 1 16 16 CYS CB C 13 32.526 0.300 . 1 . . . . 16 CYS CB . 11238 1 121 . 1 1 16 16 CYS N N 15 114.394 0.300 . 1 . . . . 16 CYS N . 11238 1 122 . 1 1 17 17 GLY H H 1 8.406 0.030 . 1 . . . . 17 GLY H . 11238 1 123 . 1 1 17 17 GLY HA2 H 1 3.729 0.030 . 2 . . . . 17 GLY HA2 . 11238 1 124 . 1 1 17 17 GLY HA3 H 1 4.210 0.030 . 2 . . . . 17 GLY HA3 . 11238 1 125 . 1 1 17 17 GLY C C 13 173.800 0.300 . 1 . . . . 17 GLY C . 11238 1 126 . 1 1 17 17 GLY CA C 13 46.078 0.300 . 1 . . . . 17 GLY CA . 11238 1 127 . 1 1 17 17 GLY N N 15 113.714 0.300 . 1 . . . . 17 GLY N . 11238 1 128 . 1 1 18 18 LYS H H 1 7.967 0.030 . 1 . . . . 18 LYS H . 11238 1 129 . 1 1 18 18 LYS HA H 1 4.069 0.030 . 1 . . . . 18 LYS HA . 11238 1 130 . 1 1 18 18 LYS HB2 H 1 1.287 0.030 . 2 . . . . 18 LYS HB2 . 11238 1 131 . 1 1 18 18 LYS HB3 H 1 1.492 0.030 . 2 . . . . 18 LYS HB3 . 11238 1 132 . 1 1 18 18 LYS HD2 H 1 1.533 0.030 . 2 . . . . 18 LYS HD2 . 11238 1 133 . 1 1 18 18 LYS HD3 H 1 1.424 0.030 . 2 . . . . 18 LYS HD3 . 11238 1 134 . 1 1 18 18 LYS HE2 H 1 2.902 0.030 . 2 . . . . 18 LYS HE2 . 11238 1 135 . 1 1 18 18 LYS HE3 H 1 2.987 0.030 . 2 . . . . 18 LYS HE3 . 11238 1 136 . 1 1 18 18 LYS HG2 H 1 1.102 0.030 . 2 . . . . 18 LYS HG2 . 11238 1 137 . 1 1 18 18 LYS HG3 H 1 1.474 0.030 . 2 . . . . 18 LYS HG3 . 11238 1 138 . 1 1 18 18 LYS C C 13 174.556 0.300 . 1 . . . . 18 LYS C . 11238 1 139 . 1 1 18 18 LYS CA C 13 58.069 0.300 . 1 . . . . 18 LYS CA . 11238 1 140 . 1 1 18 18 LYS CB C 13 33.764 0.300 . 1 . . . . 18 LYS CB . 11238 1 141 . 1 1 18 18 LYS CD C 13 29.224 0.300 . 1 . . . . 18 LYS CD . 11238 1 142 . 1 1 18 18 LYS CE C 13 42.122 0.300 . 1 . . . . 18 LYS CE . 11238 1 143 . 1 1 18 18 LYS CG C 13 26.293 0.300 . 1 . . . . 18 LYS CG . 11238 1 144 . 1 1 18 18 LYS N N 15 122.862 0.300 . 1 . . . . 18 LYS N . 11238 1 145 . 1 1 19 19 THR H H 1 7.667 0.030 . 1 . . . . 19 THR H . 11238 1 146 . 1 1 19 19 THR HA H 1 5.120 0.030 . 1 . . . . 19 THR HA . 11238 1 147 . 1 1 19 19 THR HB H 1 3.984 0.030 . 1 . . . . 19 THR HB . 11238 1 148 . 1 1 19 19 THR HG21 H 1 1.119 0.030 . 1 . . . . 19 THR HG2 . 11238 1 149 . 1 1 19 19 THR HG22 H 1 1.119 0.030 . 1 . . . . 19 THR HG2 . 11238 1 150 . 1 1 19 19 THR HG23 H 1 1.119 0.030 . 1 . . . . 19 THR HG2 . 11238 1 151 . 1 1 19 19 THR C C 13 173.716 0.300 . 1 . . . . 19 THR C . 11238 1 152 . 1 1 19 19 THR CA C 13 60.263 0.300 . 1 . . . . 19 THR CA . 11238 1 153 . 1 1 19 19 THR CB C 13 71.063 0.300 . 1 . . . . 19 THR CB . 11238 1 154 . 1 1 19 19 THR CG2 C 13 21.739 0.300 . 1 . . . . 19 THR CG2 . 11238 1 155 . 1 1 19 19 THR N N 15 112.612 0.300 . 1 . . . . 19 THR N . 11238 1 156 . 1 1 20 20 PHE H H 1 8.631 0.030 . 1 . . . . 20 PHE H . 11238 1 157 . 1 1 20 20 PHE HA H 1 4.636 0.030 . 1 . . . . 20 PHE HA . 11238 1 158 . 1 1 20 20 PHE HB2 H 1 3.237 0.030 . 2 . . . . 20 PHE HB2 . 11238 1 159 . 1 1 20 20 PHE HB3 H 1 2.403 0.030 . 2 . . . . 20 PHE HB3 . 11238 1 160 . 1 1 20 20 PHE HD1 H 1 7.095 0.030 . 1 . . . . 20 PHE HD1 . 11238 1 161 . 1 1 20 20 PHE HD2 H 1 7.095 0.030 . 1 . . . . 20 PHE HD2 . 11238 1 162 . 1 1 20 20 PHE HE1 H 1 6.815 0.030 . 1 . . . . 20 PHE HE1 . 11238 1 163 . 1 1 20 20 PHE HE2 H 1 6.815 0.030 . 1 . . . . 20 PHE HE2 . 11238 1 164 . 1 1 20 20 PHE HZ H 1 6.076 0.030 . 1 . . . . 20 PHE HZ . 11238 1 165 . 1 1 20 20 PHE C C 13 174.688 0.300 . 1 . . . . 20 PHE C . 11238 1 166 . 1 1 20 20 PHE CA C 13 57.318 0.300 . 1 . . . . 20 PHE CA . 11238 1 167 . 1 1 20 20 PHE CB C 13 44.171 0.300 . 1 . . . . 20 PHE CB . 11238 1 168 . 1 1 20 20 PHE CD1 C 13 132.205 0.300 . 1 . . . . 20 PHE CD1 . 11238 1 169 . 1 1 20 20 PHE CD2 C 13 132.205 0.300 . 1 . . . . 20 PHE CD2 . 11238 1 170 . 1 1 20 20 PHE CE1 C 13 130.579 0.300 . 1 . . . . 20 PHE CE1 . 11238 1 171 . 1 1 20 20 PHE CE2 C 13 130.579 0.300 . 1 . . . . 20 PHE CE2 . 11238 1 172 . 1 1 20 20 PHE CZ C 13 128.453 0.300 . 1 . . . . 20 PHE CZ . 11238 1 173 . 1 1 20 20 PHE N N 15 118.724 0.300 . 1 . . . . 20 PHE N . 11238 1 174 . 1 1 21 21 ARG H H 1 7.385 0.030 . 1 . . . . 21 ARG H . 11238 1 175 . 1 1 21 21 ARG HA H 1 4.460 0.030 . 1 . . . . 21 ARG HA . 11238 1 176 . 1 1 21 21 ARG HB2 H 1 1.899 0.030 . 2 . . . . 21 ARG HB2 . 11238 1 177 . 1 1 21 21 ARG HB3 H 1 2.018 0.030 . 2 . . . . 21 ARG HB3 . 11238 1 178 . 1 1 21 21 ARG HD2 H 1 3.232 0.030 . 1 . . . . 21 ARG HD2 . 11238 1 179 . 1 1 21 21 ARG HD3 H 1 3.232 0.030 . 1 . . . . 21 ARG HD3 . 11238 1 180 . 1 1 21 21 ARG HG2 H 1 1.756 0.030 . 2 . . . . 21 ARG HG2 . 11238 1 181 . 1 1 21 21 ARG HG3 H 1 1.681 0.030 . 2 . . . . 21 ARG HG3 . 11238 1 182 . 1 1 21 21 ARG C C 13 176.456 0.300 . 1 . . . . 21 ARG C . 11238 1 183 . 1 1 21 21 ARG CA C 13 56.953 0.300 . 1 . . . . 21 ARG CA . 11238 1 184 . 1 1 21 21 ARG CB C 13 31.440 0.300 . 1 . . . . 21 ARG CB . 11238 1 185 . 1 1 21 21 ARG CD C 13 43.108 0.300 . 1 . . . . 21 ARG CD . 11238 1 186 . 1 1 21 21 ARG CG C 13 27.718 0.300 . 1 . . . . 21 ARG CG . 11238 1 187 . 1 1 22 22 GLN H H 1 7.619 0.030 . 1 . . . . 22 GLN H . 11238 1 188 . 1 1 22 22 GLN HA H 1 4.847 0.030 . 1 . . . . 22 GLN HA . 11238 1 189 . 1 1 22 22 GLN HB2 H 1 2.378 0.030 . 1 . . . . 22 GLN HB2 . 11238 1 190 . 1 1 22 22 GLN HB3 H 1 2.378 0.030 . 1 . . . . 22 GLN HB3 . 11238 1 191 . 1 1 22 22 GLN HE21 H 1 6.966 0.030 . 2 . . . . 22 GLN HE21 . 11238 1 192 . 1 1 22 22 GLN HE22 H 1 7.638 0.030 . 2 . . . . 22 GLN HE22 . 11238 1 193 . 1 1 22 22 GLN HG2 H 1 2.468 0.030 . 1 . . . . 22 GLN HG2 . 11238 1 194 . 1 1 22 22 GLN HG3 H 1 2.468 0.030 . 1 . . . . 22 GLN HG3 . 11238 1 195 . 1 1 22 22 GLN C C 13 176.646 0.300 . 1 . . . . 22 GLN C . 11238 1 196 . 1 1 22 22 GLN CA C 13 54.235 0.300 . 1 . . . . 22 GLN CA . 11238 1 197 . 1 1 22 22 GLN CB C 13 31.951 0.300 . 1 . . . . 22 GLN CB . 11238 1 198 . 1 1 22 22 GLN CG C 13 33.797 0.300 . 1 . . . . 22 GLN CG . 11238 1 199 . 1 1 22 22 GLN N N 15 114.478 0.300 . 1 . . . . 22 GLN N . 11238 1 200 . 1 1 22 22 GLN NE2 N 15 112.740 0.300 . 1 . . . . 22 GLN NE2 . 11238 1 201 . 1 1 23 23 SER HA H 1 3.941 0.030 . 1 . . . . 23 SER HA . 11238 1 202 . 1 1 23 23 SER HB2 H 1 3.964 0.030 . 1 . . . . 23 SER HB2 . 11238 1 203 . 1 1 23 23 SER HB3 H 1 3.964 0.030 . 1 . . . . 23 SER HB3 . 11238 1 204 . 1 1 23 23 SER CA C 13 62.061 0.300 . 1 . . . . 23 SER CA . 11238 1 205 . 1 1 23 23 SER CB C 13 62.340 0.300 . 1 . . . . 23 SER CB . 11238 1 206 . 1 1 24 24 SER HA H 1 4.197 0.030 . 1 . . . . 24 SER HA . 11238 1 207 . 1 1 24 24 SER HB2 H 1 3.950 0.030 . 1 . . . . 24 SER HB2 . 11238 1 208 . 1 1 24 24 SER HB3 H 1 3.950 0.030 . 1 . . . . 24 SER HB3 . 11238 1 209 . 1 1 24 24 SER C C 13 177.280 0.300 . 1 . . . . 24 SER C . 11238 1 210 . 1 1 24 24 SER CA C 13 61.057 0.300 . 1 . . . . 24 SER CA . 11238 1 211 . 1 1 24 24 SER CB C 13 61.548 0.300 . 1 . . . . 24 SER CB . 11238 1 212 . 1 1 25 25 CYS H H 1 6.981 0.030 . 1 . . . . 25 CYS H . 11238 1 213 . 1 1 25 25 CYS HA H 1 4.053 0.030 . 1 . . . . 25 CYS HA . 11238 1 214 . 1 1 25 25 CYS HB2 H 1 3.241 0.030 . 2 . . . . 25 CYS HB2 . 11238 1 215 . 1 1 25 25 CYS HB3 H 1 3.142 0.030 . 2 . . . . 25 CYS HB3 . 11238 1 216 . 1 1 25 25 CYS C C 13 177.986 0.300 . 1 . . . . 25 CYS C . 11238 1 217 . 1 1 25 25 CYS CA C 13 62.844 0.300 . 1 . . . . 25 CYS CA . 11238 1 218 . 1 1 25 25 CYS CB C 13 28.503 0.300 . 1 . . . . 25 CYS CB . 11238 1 219 . 1 1 25 25 CYS N N 15 122.286 0.300 . 1 . . . . 25 CYS N . 11238 1 220 . 1 1 26 26 LEU H H 1 7.159 0.030 . 1 . . . . 26 LEU H . 11238 1 221 . 1 1 26 26 LEU HA H 1 2.936 0.030 . 1 . . . . 26 LEU HA . 11238 1 222 . 1 1 26 26 LEU HB2 H 1 1.897 0.030 . 2 . . . . 26 LEU HB2 . 11238 1 223 . 1 1 26 26 LEU HB3 H 1 0.979 0.030 . 2 . . . . 26 LEU HB3 . 11238 1 224 . 1 1 26 26 LEU HD11 H 1 0.878 0.030 . 1 . . . . 26 LEU HD1 . 11238 1 225 . 1 1 26 26 LEU HD12 H 1 0.878 0.030 . 1 . . . . 26 LEU HD1 . 11238 1 226 . 1 1 26 26 LEU HD13 H 1 0.878 0.030 . 1 . . . . 26 LEU HD1 . 11238 1 227 . 1 1 26 26 LEU HD21 H 1 0.804 0.030 . 1 . . . . 26 LEU HD2 . 11238 1 228 . 1 1 26 26 LEU HD22 H 1 0.804 0.030 . 1 . . . . 26 LEU HD2 . 11238 1 229 . 1 1 26 26 LEU HD23 H 1 0.804 0.030 . 1 . . . . 26 LEU HD2 . 11238 1 230 . 1 1 26 26 LEU HG H 1 1.418 0.030 . 1 . . . . 26 LEU HG . 11238 1 231 . 1 1 26 26 LEU C C 13 177.650 0.300 . 1 . . . . 26 LEU C . 11238 1 232 . 1 1 26 26 LEU CA C 13 57.796 0.300 . 1 . . . . 26 LEU CA . 11238 1 233 . 1 1 26 26 LEU CB C 13 40.544 0.300 . 1 . . . . 26 LEU CB . 11238 1 234 . 1 1 26 26 LEU CD1 C 13 26.652 0.300 . 2 . . . . 26 LEU CD1 . 11238 1 235 . 1 1 26 26 LEU CD2 C 13 22.977 0.300 . 2 . . . . 26 LEU CD2 . 11238 1 236 . 1 1 26 26 LEU CG C 13 27.315 0.300 . 1 . . . . 26 LEU CG . 11238 1 237 . 1 1 26 26 LEU N N 15 121.945 0.300 . 1 . . . . 26 LEU N . 11238 1 238 . 1 1 27 27 SER H H 1 8.336 0.030 . 1 . . . . 27 SER H . 11238 1 239 . 1 1 27 27 SER HA H 1 4.231 0.030 . 1 . . . . 27 SER HA . 11238 1 240 . 1 1 27 27 SER HB2 H 1 3.898 0.030 . 1 . . . . 27 SER HB2 . 11238 1 241 . 1 1 27 27 SER HB3 H 1 3.898 0.030 . 1 . . . . 27 SER HB3 . 11238 1 242 . 1 1 27 27 SER C C 13 177.364 0.300 . 1 . . . . 27 SER C . 11238 1 243 . 1 1 27 27 SER CA C 13 61.729 0.300 . 1 . . . . 27 SER CA . 11238 1 244 . 1 1 27 27 SER CB C 13 62.399 0.300 . 1 . . . . 27 SER CB . 11238 1 245 . 1 1 27 27 SER N N 15 114.474 0.300 . 1 . . . . 27 SER N . 11238 1 246 . 1 1 28 28 LYS H H 1 7.587 0.030 . 1 . . . . 28 LYS H . 11238 1 247 . 1 1 28 28 LYS HA H 1 3.965 0.030 . 1 . . . . 28 LYS HA . 11238 1 248 . 1 1 28 28 LYS HB2 H 1 1.853 0.030 . 1 . . . . 28 LYS HB2 . 11238 1 249 . 1 1 28 28 LYS HB3 H 1 1.853 0.030 . 1 . . . . 28 LYS HB3 . 11238 1 250 . 1 1 28 28 LYS HD2 H 1 1.704 0.030 . 1 . . . . 28 LYS HD2 . 11238 1 251 . 1 1 28 28 LYS HD3 H 1 1.704 0.030 . 1 . . . . 28 LYS HD3 . 11238 1 252 . 1 1 28 28 LYS HE2 H 1 2.970 0.030 . 1 . . . . 28 LYS HE2 . 11238 1 253 . 1 1 28 28 LYS HE3 H 1 2.970 0.030 . 1 . . . . 28 LYS HE3 . 11238 1 254 . 1 1 28 28 LYS HG2 H 1 1.415 0.030 . 2 . . . . 28 LYS HG2 . 11238 1 255 . 1 1 28 28 LYS HG3 H 1 1.552 0.030 . 2 . . . . 28 LYS HG3 . 11238 1 256 . 1 1 28 28 LYS C C 13 179.095 0.300 . 1 . . . . 28 LYS C . 11238 1 257 . 1 1 28 28 LYS CA C 13 59.497 0.300 . 1 . . . . 28 LYS CA . 11238 1 258 . 1 1 28 28 LYS CB C 13 32.521 0.300 . 1 . . . . 28 LYS CB . 11238 1 259 . 1 1 28 28 LYS CD C 13 29.436 0.300 . 1 . . . . 28 LYS CD . 11238 1 260 . 1 1 28 28 LYS CE C 13 42.125 0.300 . 1 . . . . 28 LYS CE . 11238 1 261 . 1 1 28 28 LYS CG C 13 25.267 0.300 . 1 . . . . 28 LYS CG . 11238 1 262 . 1 1 28 28 LYS N N 15 120.596 0.300 . 1 . . . . 28 LYS N . 11238 1 263 . 1 1 29 29 HIS H H 1 7.683 0.030 . 1 . . . . 29 HIS H . 11238 1 264 . 1 1 29 29 HIS HA H 1 4.207 0.030 . 1 . . . . 29 HIS HA . 11238 1 265 . 1 1 29 29 HIS HB2 H 1 3.108 0.030 . 2 . . . . 29 HIS HB2 . 11238 1 266 . 1 1 29 29 HIS HB3 H 1 2.984 0.030 . 2 . . . . 29 HIS HB3 . 11238 1 267 . 1 1 29 29 HIS HD2 H 1 6.890 0.030 . 1 . . . . 29 HIS HD2 . 11238 1 268 . 1 1 29 29 HIS HE1 H 1 8.043 0.030 . 1 . . . . 29 HIS HE1 . 11238 1 269 . 1 1 29 29 HIS C C 13 176.321 0.300 . 1 . . . . 29 HIS C . 11238 1 270 . 1 1 29 29 HIS CA C 13 59.072 0.300 . 1 . . . . 29 HIS CA . 11238 1 271 . 1 1 29 29 HIS CB C 13 28.478 0.300 . 1 . . . . 29 HIS CB . 11238 1 272 . 1 1 29 29 HIS CD2 C 13 127.366 0.300 . 1 . . . . 29 HIS CD2 . 11238 1 273 . 1 1 29 29 HIS CE1 C 13 139.326 0.300 . 1 . . . . 29 HIS CE1 . 11238 1 274 . 1 1 29 29 HIS N N 15 119.105 0.300 . 1 . . . . 29 HIS N . 11238 1 275 . 1 1 30 30 GLN H H 1 8.319 0.030 . 1 . . . . 30 GLN H . 11238 1 276 . 1 1 30 30 GLN HA H 1 3.705 0.030 . 1 . . . . 30 GLN HA . 11238 1 277 . 1 1 30 30 GLN HB2 H 1 2.196 0.030 . 2 . . . . 30 GLN HB2 . 11238 1 278 . 1 1 30 30 GLN HB3 H 1 2.291 0.030 . 2 . . . . 30 GLN HB3 . 11238 1 279 . 1 1 30 30 GLN HE21 H 1 7.035 0.030 . 2 . . . . 30 GLN HE21 . 11238 1 280 . 1 1 30 30 GLN HE22 H 1 7.591 0.030 . 2 . . . . 30 GLN HE22 . 11238 1 281 . 1 1 30 30 GLN HG2 H 1 2.779 0.030 . 1 . . . . 30 GLN HG2 . 11238 1 282 . 1 1 30 30 GLN HG3 H 1 2.779 0.030 . 1 . . . . 30 GLN HG3 . 11238 1 283 . 1 1 30 30 GLN C C 13 177.784 0.300 . 1 . . . . 30 GLN C . 11238 1 284 . 1 1 30 30 GLN CA C 13 59.323 0.300 . 1 . . . . 30 GLN CA . 11238 1 285 . 1 1 30 30 GLN CB C 13 28.217 0.300 . 1 . . . . 30 GLN CB . 11238 1 286 . 1 1 30 30 GLN CG C 13 35.236 0.300 . 1 . . . . 30 GLN CG . 11238 1 287 . 1 1 30 30 GLN N N 15 115.397 0.300 . 1 . . . . 30 GLN N . 11238 1 288 . 1 1 30 30 GLN NE2 N 15 112.699 0.300 . 1 . . . . 30 GLN NE2 . 11238 1 289 . 1 1 31 31 ARG H H 1 7.202 0.030 . 1 . . . . 31 ARG H . 11238 1 290 . 1 1 31 31 ARG HA H 1 4.119 0.030 . 1 . . . . 31 ARG HA . 11238 1 291 . 1 1 31 31 ARG HB2 H 1 1.830 0.030 . 2 . . . . 31 ARG HB2 . 11238 1 292 . 1 1 31 31 ARG HB3 H 1 1.904 0.030 . 2 . . . . 31 ARG HB3 . 11238 1 293 . 1 1 31 31 ARG HD2 H 1 3.213 0.030 . 1 . . . . 31 ARG HD2 . 11238 1 294 . 1 1 31 31 ARG HD3 H 1 3.213 0.030 . 1 . . . . 31 ARG HD3 . 11238 1 295 . 1 1 31 31 ARG HG2 H 1 1.702 0.030 . 2 . . . . 31 ARG HG2 . 11238 1 296 . 1 1 31 31 ARG HG3 H 1 1.848 0.030 . 2 . . . . 31 ARG HG3 . 11238 1 297 . 1 1 31 31 ARG C C 13 178.776 0.300 . 1 . . . . 31 ARG C . 11238 1 298 . 1 1 31 31 ARG CA C 13 58.451 0.300 . 1 . . . . 31 ARG CA . 11238 1 299 . 1 1 31 31 ARG CB C 13 29.887 0.300 . 1 . . . . 31 ARG CB . 11238 1 300 . 1 1 31 31 ARG CD C 13 43.334 0.300 . 1 . . . . 31 ARG CD . 11238 1 301 . 1 1 31 31 ARG CG C 13 27.290 0.300 . 1 . . . . 31 ARG CG . 11238 1 302 . 1 1 31 31 ARG N N 15 117.826 0.300 . 1 . . . . 31 ARG N . 11238 1 303 . 1 1 32 32 ILE H H 1 7.820 0.030 . 1 . . . . 32 ILE H . 11238 1 304 . 1 1 32 32 ILE HA H 1 3.956 0.030 . 1 . . . . 32 ILE HA . 11238 1 305 . 1 1 32 32 ILE HB H 1 1.678 0.030 . 1 . . . . 32 ILE HB . 11238 1 306 . 1 1 32 32 ILE HD11 H 1 0.713 0.030 . 1 . . . . 32 ILE HD1 . 11238 1 307 . 1 1 32 32 ILE HD12 H 1 0.713 0.030 . 1 . . . . 32 ILE HD1 . 11238 1 308 . 1 1 32 32 ILE HD13 H 1 0.713 0.030 . 1 . . . . 32 ILE HD1 . 11238 1 309 . 1 1 32 32 ILE HG12 H 1 0.951 0.030 . 2 . . . . 32 ILE HG12 . 11238 1 310 . 1 1 32 32 ILE HG13 H 1 0.837 0.030 . 2 . . . . 32 ILE HG13 . 11238 1 311 . 1 1 32 32 ILE HG21 H 1 0.589 0.030 . 1 . . . . 32 ILE HG2 . 11238 1 312 . 1 1 32 32 ILE HG22 H 1 0.589 0.030 . 1 . . . . 32 ILE HG2 . 11238 1 313 . 1 1 32 32 ILE HG23 H 1 0.589 0.030 . 1 . . . . 32 ILE HG2 . 11238 1 314 . 1 1 32 32 ILE C C 13 177.633 0.300 . 1 . . . . 32 ILE C . 11238 1 315 . 1 1 32 32 ILE CA C 13 63.153 0.300 . 1 . . . . 32 ILE CA . 11238 1 316 . 1 1 32 32 ILE CB C 13 37.494 0.300 . 1 . . . . 32 ILE CB . 11238 1 317 . 1 1 32 32 ILE CD1 C 13 14.149 0.300 . 1 . . . . 32 ILE CD1 . 11238 1 318 . 1 1 32 32 ILE CG1 C 13 26.828 0.300 . 1 . . . . 32 ILE CG1 . 11238 1 319 . 1 1 32 32 ILE CG2 C 13 16.462 0.300 . 1 . . . . 32 ILE CG2 . 11238 1 320 . 1 1 32 32 ILE N N 15 116.894 0.300 . 1 . . . . 32 ILE N . 11238 1 321 . 1 1 33 33 HIS H H 1 7.105 0.030 . 1 . . . . 33 HIS H . 11238 1 322 . 1 1 33 33 HIS HA H 1 4.836 0.030 . 1 . . . . 33 HIS HA . 11238 1 323 . 1 1 33 33 HIS HB2 H 1 3.349 0.030 . 2 . . . . 33 HIS HB2 . 11238 1 324 . 1 1 33 33 HIS HB3 H 1 3.180 0.030 . 2 . . . . 33 HIS HB3 . 11238 1 325 . 1 1 33 33 HIS HD2 H 1 6.721 0.030 . 1 . . . . 33 HIS HD2 . 11238 1 326 . 1 1 33 33 HIS HE1 H 1 8.056 0.030 . 1 . . . . 33 HIS HE1 . 11238 1 327 . 1 1 33 33 HIS C C 13 175.716 0.300 . 1 . . . . 33 HIS C . 11238 1 328 . 1 1 33 33 HIS CA C 13 55.229 0.300 . 1 . . . . 33 HIS CA . 11238 1 329 . 1 1 33 33 HIS CB C 13 28.494 0.300 . 1 . . . . 33 HIS CB . 11238 1 330 . 1 1 33 33 HIS CD2 C 13 127.749 0.300 . 1 . . . . 33 HIS CD2 . 11238 1 331 . 1 1 33 33 HIS CE1 C 13 139.861 0.300 . 1 . . . . 33 HIS CE1 . 11238 1 332 . 1 1 33 33 HIS N N 15 117.486 0.300 . 1 . . . . 33 HIS N . 11238 1 333 . 1 1 34 34 SER H H 1 7.804 0.030 . 1 . . . . 34 SER H . 11238 1 334 . 1 1 34 34 SER HA H 1 4.454 0.030 . 1 . . . . 34 SER HA . 11238 1 335 . 1 1 34 34 SER HB2 H 1 3.969 0.030 . 2 . . . . 34 SER HB2 . 11238 1 336 . 1 1 34 34 SER HB3 H 1 3.912 0.030 . 2 . . . . 34 SER HB3 . 11238 1 337 . 1 1 34 34 SER C C 13 175.161 0.300 . 1 . . . . 34 SER C . 11238 1 338 . 1 1 34 34 SER CA C 13 59.147 0.300 . 1 . . . . 34 SER CA . 11238 1 339 . 1 1 34 34 SER CB C 13 63.868 0.300 . 1 . . . . 34 SER CB . 11238 1 340 . 1 1 34 34 SER N N 15 114.505 0.300 . 1 . . . . 34 SER N . 11238 1 341 . 1 1 35 35 GLY H H 1 8.254 0.030 . 1 . . . . 35 GLY H . 11238 1 342 . 1 1 35 35 GLY HA2 H 1 3.989 0.030 . 1 . . . . 35 GLY HA2 . 11238 1 343 . 1 1 35 35 GLY HA3 H 1 3.989 0.030 . 1 . . . . 35 GLY HA3 . 11238 1 344 . 1 1 35 35 GLY C C 13 173.985 0.300 . 1 . . . . 35 GLY C . 11238 1 345 . 1 1 35 35 GLY CA C 13 45.314 0.300 . 1 . . . . 35 GLY CA . 11238 1 346 . 1 1 35 35 GLY N N 15 110.656 0.300 . 1 . . . . 35 GLY N . 11238 1 347 . 1 1 36 36 GLU H H 1 8.096 0.030 . 1 . . . . 36 GLU H . 11238 1 348 . 1 1 36 36 GLU HA H 1 4.258 0.030 . 1 . . . . 36 GLU HA . 11238 1 349 . 1 1 36 36 GLU HB2 H 1 2.000 0.030 . 2 . . . . 36 GLU HB2 . 11238 1 350 . 1 1 36 36 GLU HB3 H 1 1.909 0.030 . 2 . . . . 36 GLU HB3 . 11238 1 351 . 1 1 36 36 GLU HG2 H 1 2.216 0.030 . 2 . . . . 36 GLU HG2 . 11238 1 352 . 1 1 36 36 GLU HG3 H 1 2.278 0.030 . 2 . . . . 36 GLU HG3 . 11238 1 353 . 1 1 36 36 GLU C C 13 176.523 0.300 . 1 . . . . 36 GLU C . 11238 1 354 . 1 1 36 36 GLU CA C 13 56.370 0.300 . 1 . . . . 36 GLU CA . 11238 1 355 . 1 1 36 36 GLU CB C 13 30.453 0.300 . 1 . . . . 36 GLU CB . 11238 1 356 . 1 1 36 36 GLU CG C 13 36.239 0.300 . 1 . . . . 36 GLU CG . 11238 1 357 . 1 1 36 36 GLU N N 15 120.526 0.300 . 1 . . . . 36 GLU N . 11238 1 358 . 1 1 37 37 LYS H H 1 8.414 0.030 . 1 . . . . 37 LYS H . 11238 1 359 . 1 1 37 37 LYS HA H 1 4.611 0.030 . 1 . . . . 37 LYS HA . 11238 1 360 . 1 1 37 37 LYS HB2 H 1 1.816 0.030 . 2 . . . . 37 LYS HB2 . 11238 1 361 . 1 1 37 37 LYS HB3 H 1 1.733 0.030 . 2 . . . . 37 LYS HB3 . 11238 1 362 . 1 1 37 37 LYS HD2 H 1 1.688 0.030 . 1 . . . . 37 LYS HD2 . 11238 1 363 . 1 1 37 37 LYS HD3 H 1 1.688 0.030 . 1 . . . . 37 LYS HD3 . 11238 1 364 . 1 1 37 37 LYS HE2 H 1 3.008 0.030 . 1 . . . . 37 LYS HE2 . 11238 1 365 . 1 1 37 37 LYS HE3 H 1 3.008 0.030 . 1 . . . . 37 LYS HE3 . 11238 1 366 . 1 1 37 37 LYS HG2 H 1 1.493 0.030 . 1 . . . . 37 LYS HG2 . 11238 1 367 . 1 1 37 37 LYS HG3 H 1 1.493 0.030 . 1 . . . . 37 LYS HG3 . 11238 1 368 . 1 1 37 37 LYS C C 13 174.519 0.300 . 1 . . . . 37 LYS C . 11238 1 369 . 1 1 37 37 LYS CA C 13 54.087 0.300 . 1 . . . . 37 LYS CA . 11238 1 370 . 1 1 37 37 LYS CB C 13 32.376 0.300 . 1 . . . . 37 LYS CB . 11238 1 371 . 1 1 37 37 LYS CD C 13 29.130 0.300 . 1 . . . . 37 LYS CD . 11238 1 372 . 1 1 37 37 LYS CE C 13 42.191 0.300 . 1 . . . . 37 LYS CE . 11238 1 373 . 1 1 37 37 LYS CG C 13 24.593 0.300 . 1 . . . . 37 LYS CG . 11238 1 374 . 1 1 37 37 LYS N N 15 123.877 0.300 . 1 . . . . 37 LYS N . 11238 1 375 . 1 1 38 38 PRO HA H 1 4.470 0.030 . 1 . . . . 38 PRO HA . 11238 1 376 . 1 1 38 38 PRO HB2 H 1 1.939 0.030 . 2 . . . . 38 PRO HB2 . 11238 1 377 . 1 1 38 38 PRO HB3 H 1 2.316 0.030 . 2 . . . . 38 PRO HB3 . 11238 1 378 . 1 1 38 38 PRO HD2 H 1 3.654 0.030 . 2 . . . . 38 PRO HD2 . 11238 1 379 . 1 1 38 38 PRO HD3 H 1 3.814 0.030 . 2 . . . . 38 PRO HD3 . 11238 1 380 . 1 1 38 38 PRO HG2 H 1 2.029 0.030 . 2 . . . . 38 PRO HG2 . 11238 1 381 . 1 1 38 38 PRO HG3 H 1 1.981 0.030 . 2 . . . . 38 PRO HG3 . 11238 1 382 . 1 1 38 38 PRO C C 13 177.044 0.300 . 1 . . . . 38 PRO C . 11238 1 383 . 1 1 38 38 PRO CA C 13 63.184 0.300 . 1 . . . . 38 PRO CA . 11238 1 384 . 1 1 38 38 PRO CB C 13 32.185 0.300 . 1 . . . . 38 PRO CB . 11238 1 385 . 1 1 38 38 PRO CD C 13 50.619 0.300 . 1 . . . . 38 PRO CD . 11238 1 386 . 1 1 38 38 PRO CG C 13 27.253 0.300 . 1 . . . . 38 PRO CG . 11238 1 387 . 1 1 39 39 SER H H 1 8.511 0.030 . 1 . . . . 39 SER H . 11238 1 388 . 1 1 39 39 SER HA H 1 4.469 0.030 . 1 . . . . 39 SER HA . 11238 1 389 . 1 1 39 39 SER HB2 H 1 3.900 0.030 . 1 . . . . 39 SER HB2 . 11238 1 390 . 1 1 39 39 SER HB3 H 1 3.900 0.030 . 1 . . . . 39 SER HB3 . 11238 1 391 . 1 1 39 39 SER C C 13 174.691 0.300 . 1 . . . . 39 SER C . 11238 1 392 . 1 1 39 39 SER CA C 13 58.312 0.300 . 1 . . . . 39 SER CA . 11238 1 393 . 1 1 39 39 SER CB C 13 64.115 0.300 . 1 . . . . 39 SER CB . 11238 1 394 . 1 1 39 39 SER N N 15 116.567 0.300 . 1 . . . . 39 SER N . 11238 1 395 . 1 1 40 40 GLY H H 1 8.254 0.030 . 1 . . . . 40 GLY H . 11238 1 396 . 1 1 40 40 GLY HA2 H 1 4.160 0.030 . 2 . . . . 40 GLY HA2 . 11238 1 397 . 1 1 40 40 GLY HA3 H 1 4.114 0.030 . 2 . . . . 40 GLY HA3 . 11238 1 398 . 1 1 40 40 GLY C C 13 171.767 0.300 . 1 . . . . 40 GLY C . 11238 1 399 . 1 1 40 40 GLY CA C 13 44.614 0.300 . 1 . . . . 40 GLY CA . 11238 1 400 . 1 1 40 40 GLY N N 15 110.671 0.300 . 1 . . . . 40 GLY N . 11238 1 401 . 1 1 41 41 PRO HA H 1 4.494 0.030 . 1 . . . . 41 PRO HA . 11238 1 402 . 1 1 41 41 PRO HB2 H 1 1.974 0.030 . 2 . . . . 41 PRO HB2 . 11238 1 403 . 1 1 41 41 PRO HB3 H 1 2.306 0.030 . 2 . . . . 41 PRO HB3 . 11238 1 404 . 1 1 41 41 PRO HD2 H 1 3.629 0.030 . 1 . . . . 41 PRO HD2 . 11238 1 405 . 1 1 41 41 PRO HD3 H 1 3.629 0.030 . 1 . . . . 41 PRO HD3 . 11238 1 406 . 1 1 41 41 PRO HG2 H 1 2.022 0.030 . 1 . . . . 41 PRO HG2 . 11238 1 407 . 1 1 41 41 PRO HG3 H 1 2.022 0.030 . 1 . . . . 41 PRO HG3 . 11238 1 408 . 1 1 41 41 PRO C C 13 177.414 0.300 . 1 . . . . 41 PRO C . 11238 1 409 . 1 1 41 41 PRO CA C 13 63.277 0.300 . 1 . . . . 41 PRO CA . 11238 1 410 . 1 1 41 41 PRO CB C 13 32.156 0.300 . 1 . . . . 41 PRO CB . 11238 1 411 . 1 1 41 41 PRO CD C 13 49.752 0.300 . 1 . . . . 41 PRO CD . 11238 1 412 . 1 1 41 41 PRO CG C 13 27.180 0.300 . 1 . . . . 41 PRO CG . 11238 1 413 . 1 1 42 42 SER H H 1 8.562 0.030 . 1 . . . . 42 SER H . 11238 1 414 . 1 1 42 42 SER HA H 1 4.514 0.030 . 1 . . . . 42 SER HA . 11238 1 415 . 1 1 42 42 SER HB2 H 1 3.919 0.030 . 1 . . . . 42 SER HB2 . 11238 1 416 . 1 1 42 42 SER HB3 H 1 3.919 0.030 . 1 . . . . 42 SER HB3 . 11238 1 417 . 1 1 42 42 SER C C 13 174.688 0.300 . 1 . . . . 42 SER C . 11238 1 418 . 1 1 42 42 SER CA C 13 58.355 0.300 . 1 . . . . 42 SER CA . 11238 1 419 . 1 1 42 42 SER CB C 13 63.842 0.300 . 1 . . . . 42 SER CB . 11238 1 420 . 1 1 42 42 SER N N 15 116.477 0.300 . 1 . . . . 42 SER N . 11238 1 421 . 1 1 43 43 SER H H 1 8.352 0.030 . 1 . . . . 43 SER H . 11238 1 422 . 1 1 43 43 SER HA H 1 4.505 0.030 . 1 . . . . 43 SER HA . 11238 1 423 . 1 1 43 43 SER HB2 H 1 3.903 0.030 . 1 . . . . 43 SER HB2 . 11238 1 424 . 1 1 43 43 SER HB3 H 1 3.903 0.030 . 1 . . . . 43 SER HB3 . 11238 1 425 . 1 1 43 43 SER C C 13 173.934 0.300 . 1 . . . . 43 SER C . 11238 1 426 . 1 1 43 43 SER CA C 13 58.448 0.300 . 1 . . . . 43 SER CA . 11238 1 427 . 1 1 43 43 SER CB C 13 64.102 0.300 . 1 . . . . 43 SER CB . 11238 1 428 . 1 1 43 43 SER N N 15 117.885 0.300 . 1 . . . . 43 SER N . 11238 1 429 . 1 1 44 44 GLY H H 1 8.077 0.030 . 1 . . . . 44 GLY H . 11238 1 430 . 1 1 44 44 GLY HA2 H 1 3.813 0.030 . 2 . . . . 44 GLY HA2 . 11238 1 431 . 1 1 44 44 GLY HA3 H 1 3.762 0.030 . 2 . . . . 44 GLY HA3 . 11238 1 432 . 1 1 44 44 GLY C C 13 179.043 0.300 . 1 . . . . 44 GLY C . 11238 1 433 . 1 1 44 44 GLY CA C 13 46.229 0.300 . 1 . . . . 44 GLY CA . 11238 1 434 . 1 1 44 44 GLY N N 15 116.886 0.300 . 1 . . . . 44 GLY N . 11238 1 stop_ save_