################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15003 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNHA' 1 $sample isotropic 15003 1 2 '3D_13C- SEPARATED_NOESY' 1 $sample isotropic 15003 1 3 '3D_15N- SEPARATED_NOESY' 1 $sample isotropic 15003 1 4 '2D 1H-15N HSQC' 1 $sample isotropic 15003 1 5 '3D HNCACB' 1 $sample isotropic 15003 1 6 '3D HNCA' 1 $sample isotropic 15003 1 7 '3D HN(COCA)CB' 1 $sample isotropic 15003 1 8 '3D HCCH-COSY' 1 $sample isotropic 15003 1 9 '3D HCCH-TOCSY' 1 $sample isotropic 15003 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 $CYANA . . 15003 1 2 $NMRPipe . . 15003 1 3 $SPARKY . . 15003 1 4 $VNMR . . 15003 1 5 $TALOS . . 15003 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 1 1 SER H H 1 8.750 0.020 . 1 . . . . 1 SER H . 15003 1 2 . 1 1 1 1 SER HA H 1 4.525 0.020 . 1 . . . . 1 SER HA . 15003 1 3 . 1 1 1 1 SER HB2 H 1 3.867 0.020 . 1 . . . . 1 SER HB2 . 15003 1 4 . 1 1 1 1 SER HB3 H 1 3.867 0.020 . 1 . . . . 1 SER HB3 . 15003 1 5 . 1 1 1 1 SER CA C 13 58.881 0.400 . 1 . . . . 1 SER CA . 15003 1 6 . 1 1 1 1 SER CB C 13 64.471 0.400 . 1 . . . . 1 SER CB . 15003 1 7 . 1 1 1 1 SER N N 15 115.758 0.400 . 1 . . . . 1 SER N . 15003 1 8 . 1 1 2 2 MET H H 1 8.686 0.020 . 1 . . . . 2 MET H . 15003 1 9 . 1 1 2 2 MET HA H 1 4.575 0.020 . 1 . . . . 2 MET HA . 15003 1 10 . 1 1 2 2 MET HB2 H 1 2.042 0.020 . 2 . . . . 2 MET HB2 . 15003 1 11 . 1 1 2 2 MET HB3 H 1 2.123 0.020 . 2 . . . . 2 MET HB3 . 15003 1 12 . 1 1 2 2 MET HG2 H 1 2.576 0.020 . 2 . . . . 2 MET HG2 . 15003 1 13 . 1 1 2 2 MET HG3 H 1 2.634 0.020 . 2 . . . . 2 MET HG3 . 15003 1 14 . 1 1 2 2 MET CA C 13 56.193 0.400 . 1 . . . . 2 MET CA . 15003 1 15 . 1 1 2 2 MET N N 15 123.057 0.400 . 1 . . . . 2 MET N . 15003 1 16 . 1 1 3 3 VAL H H 1 8.308 0.020 . 1 . . . . 3 VAL H . 15003 1 17 . 1 1 3 3 VAL HA H 1 4.152 0.020 . 1 . . . . 3 VAL HA . 15003 1 18 . 1 1 3 3 VAL HB H 1 2.075 0.020 . 1 . . . . 3 VAL HB . 15003 1 19 . 1 1 3 3 VAL HG11 H 1 0.972 0.020 . 2 . . . . 3 VAL HG1 . 15003 1 20 . 1 1 3 3 VAL HG12 H 1 0.972 0.020 . 2 . . . . 3 VAL HG1 . 15003 1 21 . 1 1 3 3 VAL HG13 H 1 0.972 0.020 . 2 . . . . 3 VAL HG1 . 15003 1 22 . 1 1 3 3 VAL HG21 H 1 0.972 0.020 . 2 . . . . 3 VAL HG2 . 15003 1 23 . 1 1 3 3 VAL HG22 H 1 0.972 0.020 . 2 . . . . 3 VAL HG2 . 15003 1 24 . 1 1 3 3 VAL HG23 H 1 0.972 0.020 . 2 . . . . 3 VAL HG2 . 15003 1 25 . 1 1 3 3 VAL CA C 13 62.752 0.400 . 1 . . . . 3 VAL CA . 15003 1 26 . 1 1 3 3 VAL CB C 13 33.493 0.400 . 1 . . . . 3 VAL CB . 15003 1 27 . 1 1 3 3 VAL CG1 C 13 21.493 0.400 . 1 . . . . 3 VAL CG1 . 15003 1 28 . 1 1 3 3 VAL N N 15 121.985 0.400 . 1 . . . . 3 VAL N . 15003 1 29 . 1 1 4 4 ASN H H 1 8.636 0.020 . 1 . . . . 4 ASN H . 15003 1 30 . 1 1 4 4 ASN HA H 1 4.810 0.020 . 1 . . . . 4 ASN HA . 15003 1 31 . 1 1 4 4 ASN HB2 H 1 2.727 0.020 . 2 . . . . 4 ASN HB2 . 15003 1 32 . 1 1 4 4 ASN HB3 H 1 2.842 0.020 . 2 . . . . 4 ASN HB3 . 15003 1 33 . 1 1 4 4 ASN CA C 13 53.369 0.400 . 1 . . . . 4 ASN CA . 15003 1 34 . 1 1 4 4 ASN CB C 13 39.400 0.400 . 1 . . . . 4 ASN CB . 15003 1 35 . 1 1 4 4 ASN N N 15 123.841 0.400 . 1 . . . . 4 ASN N . 15003 1 36 . 1 1 5 5 THR H H 1 8.183 0.020 . 1 . . . . 5 THR H . 15003 1 37 . 1 1 5 5 THR HA H 1 3.567 0.020 . 1 . . . . 5 THR HA . 15003 1 38 . 1 1 5 5 THR HB H 1 3.694 0.020 . 1 . . . . 5 THR HB . 15003 1 39 . 1 1 5 5 THR HG21 H 1 0.391 0.020 . 1 . . . . 5 THR HG2 . 15003 1 40 . 1 1 5 5 THR HG22 H 1 0.391 0.020 . 1 . . . . 5 THR HG2 . 15003 1 41 . 1 1 5 5 THR HG23 H 1 0.391 0.020 . 1 . . . . 5 THR HG2 . 15003 1 42 . 1 1 5 5 THR CA C 13 62.758 0.400 . 1 . . . . 5 THR CA . 15003 1 43 . 1 1 5 5 THR CB C 13 71.602 0.400 . 1 . . . . 5 THR CB . 15003 1 44 . 1 1 5 5 THR CG2 C 13 20.820 0.400 . 1 . . . . 5 THR CG2 . 15003 1 45 . 1 1 5 5 THR N N 15 112.104 0.400 . 1 . . . . 5 THR N . 15003 1 46 . 1 1 6 6 GLY H H 1 7.864 0.020 . 1 . . . . 6 GLY H . 15003 1 47 . 1 1 6 6 GLY HA2 H 1 3.707 0.020 . 2 . . . . 6 GLY HA2 . 15003 1 48 . 1 1 6 6 GLY HA3 H 1 4.370 0.020 . 2 . . . . 6 GLY HA3 . 15003 1 49 . 1 1 6 6 GLY CA C 13 45.750 0.400 . 1 . . . . 6 GLY CA . 15003 1 50 . 1 1 6 6 GLY N N 15 104.767 0.400 . 1 . . . . 6 GLY N . 15003 1 51 . 1 1 7 7 LEU H H 1 8.014 0.020 . 1 . . . . 7 LEU H . 15003 1 52 . 1 1 7 7 LEU HA H 1 4.351 0.020 . 1 . . . . 7 LEU HA . 15003 1 53 . 1 1 7 7 LEU HB2 H 1 1.284 0.020 . 2 . . . . 7 LEU HB2 . 15003 1 54 . 1 1 7 7 LEU HB3 H 1 1.637 0.020 . 2 . . . . 7 LEU HB3 . 15003 1 55 . 1 1 7 7 LEU HG H 1 1.497 0.020 . 1 . . . . 7 LEU HG . 15003 1 56 . 1 1 7 7 LEU HD11 H 1 0.692 0.020 . 2 . . . . 7 LEU HD1 . 15003 1 57 . 1 1 7 7 LEU HD12 H 1 0.692 0.020 . 2 . . . . 7 LEU HD1 . 15003 1 58 . 1 1 7 7 LEU HD13 H 1 0.692 0.020 . 2 . . . . 7 LEU HD1 . 15003 1 59 . 1 1 7 7 LEU HD21 H 1 0.889 0.020 . 2 . . . . 7 LEU HD2 . 15003 1 60 . 1 1 7 7 LEU HD22 H 1 0.889 0.020 . 2 . . . . 7 LEU HD2 . 15003 1 61 . 1 1 7 7 LEU HD23 H 1 0.889 0.020 . 2 . . . . 7 LEU HD2 . 15003 1 62 . 1 1 7 7 LEU CA C 13 54.126 0.400 . 1 . . . . 7 LEU CA . 15003 1 63 . 1 1 7 7 LEU CB C 13 41.678 0.400 . 1 . . . . 7 LEU CB . 15003 1 64 . 1 1 7 7 LEU CG C 13 27.600 0.400 . 1 . . . . 7 LEU CG . 15003 1 65 . 1 1 7 7 LEU CD1 C 13 25.109 0.400 . 1 . . . . 7 LEU CD1 . 15003 1 66 . 1 1 7 7 LEU N N 15 121.760 0.400 . 1 . . . . 7 LEU N . 15003 1 67 . 1 1 8 8 PRO HA H 1 4.540 0.020 . 1 . . . . 8 PRO HA . 15003 1 68 . 1 1 8 8 PRO HB2 H 1 2.006 0.020 . 2 . . . . 8 PRO HB2 . 15003 1 69 . 1 1 8 8 PRO HB3 H 1 2.386 0.020 . 2 . . . . 8 PRO HB3 . 15003 1 70 . 1 1 8 8 PRO HG2 H 1 1.691 0.020 . 2 . . . . 8 PRO HG2 . 15003 1 71 . 1 1 8 8 PRO HG3 H 1 1.740 0.020 . 2 . . . . 8 PRO HG3 . 15003 1 72 . 1 1 8 8 PRO HD2 H 1 2.849 0.020 . 2 . . . . 8 PRO HD2 . 15003 1 73 . 1 1 8 8 PRO HD3 H 1 3.641 0.020 . 2 . . . . 8 PRO HD3 . 15003 1 74 . 1 1 8 8 PRO CA C 13 62.738 0.400 . 1 . . . . 8 PRO CA . 15003 1 75 . 1 1 8 8 PRO CB C 13 32.451 0.400 . 1 . . . . 8 PRO CB . 15003 1 76 . 1 1 8 8 PRO CG C 13 28.353 0.400 . 1 . . . . 8 PRO CG . 15003 1 77 . 1 1 8 8 PRO CD C 13 50.789 0.400 . 1 . . . . 8 PRO CD . 15003 1 78 . 1 1 9 9 ALA H H 1 8.482 0.020 . 1 . . . . 9 ALA H . 15003 1 79 . 1 1 9 9 ALA HA H 1 4.111 0.020 . 1 . . . . 9 ALA HA . 15003 1 80 . 1 1 9 9 ALA HB1 H 1 1.385 0.020 . 1 . . . . 9 ALA HB . 15003 1 81 . 1 1 9 9 ALA HB2 H 1 1.385 0.020 . 1 . . . . 9 ALA HB . 15003 1 82 . 1 1 9 9 ALA HB3 H 1 1.385 0.020 . 1 . . . . 9 ALA HB . 15003 1 83 . 1 1 9 9 ALA CA C 13 54.869 0.400 . 1 . . . . 9 ALA CA . 15003 1 84 . 1 1 9 9 ALA CB C 13 19.005 0.400 . 1 . . . . 9 ALA CB . 15003 1 85 . 1 1 9 9 ALA N N 15 122.450 0.400 . 1 . . . . 9 ALA N . 15003 1 86 . 1 1 10 10 GLY H H 1 8.715 0.020 . 1 . . . . 10 GLY H . 15003 1 87 . 1 1 10 10 GLY HA2 H 1 3.534 0.020 . 2 . . . . 10 GLY HA2 . 15003 1 88 . 1 1 10 10 GLY HA3 H 1 4.191 0.020 . 2 . . . . 10 GLY HA3 . 15003 1 89 . 1 1 10 10 GLY CA C 13 45.415 0.400 . 1 . . . . 10 GLY CA . 15003 1 90 . 1 1 10 10 GLY N N 15 110.710 0.400 . 1 . . . . 10 GLY N . 15003 1 91 . 1 1 11 11 TRP H H 1 7.608 0.020 . 1 . . . . 11 TRP H . 15003 1 92 . 1 1 11 11 TRP HA H 1 4.861 0.020 . 1 . . . . 11 TRP HA . 15003 1 93 . 1 1 11 11 TRP HB2 H 1 2.989 0.020 . 2 . . . . 11 TRP HB2 . 15003 1 94 . 1 1 11 11 TRP HB3 H 1 3.227 0.020 . 2 . . . . 11 TRP HB3 . 15003 1 95 . 1 1 11 11 TRP HD1 H 1 7.014 0.020 . 1 . . . . 11 TRP HD1 . 15003 1 96 . 1 1 11 11 TRP HE3 H 1 6.996 0.020 . 1 . . . . 11 TRP HE3 . 15003 1 97 . 1 1 11 11 TRP HZ2 H 1 7.288 0.020 . 1 . . . . 11 TRP HZ2 . 15003 1 98 . 1 1 11 11 TRP HZ3 H 1 6.953 0.020 . 1 . . . . 11 TRP HZ3 . 15003 1 99 . 1 1 11 11 TRP HH2 H 1 7.991 0.020 . 1 . . . . 11 TRP HH2 . 15003 1 100 . 1 1 11 11 TRP CA C 13 57.880 0.400 . 1 . . . . 11 TRP CA . 15003 1 101 . 1 1 11 11 TRP CB C 13 32.798 0.400 . 1 . . . . 11 TRP CB . 15003 1 102 . 1 1 11 11 TRP CD1 C 13 127.132 0.400 . 1 . . . . 11 TRP CD1 . 15003 1 103 . 1 1 11 11 TRP CE3 C 13 124.188 0.400 . 1 . . . . 11 TRP CE3 . 15003 1 104 . 1 1 11 11 TRP CZ2 C 13 114.251 0.400 . 1 . . . . 11 TRP CZ2 . 15003 1 105 . 1 1 11 11 TRP CZ3 C 13 122.082 0.400 . 1 . . . . 11 TRP CZ3 . 15003 1 106 . 1 1 11 11 TRP CH2 C 13 121.593 0.400 . 1 . . . . 11 TRP CH2 . 15003 1 107 . 1 1 11 11 TRP N N 15 117.455 0.400 . 1 . . . . 11 TRP N . 15003 1 108 . 1 1 12 12 GLU H H 1 9.513 0.020 . 1 . . . . 12 GLU H . 15003 1 109 . 1 1 12 12 GLU HA H 1 4.795 0.020 . 1 . . . . 12 GLU HA . 15003 1 110 . 1 1 12 12 GLU HB2 H 1 2.020 0.020 . 2 . . . . 12 GLU HB2 . 15003 1 111 . 1 1 12 12 GLU HB3 H 1 2.144 0.020 . 2 . . . . 12 GLU HB3 . 15003 1 112 . 1 1 12 12 GLU CA C 13 54.428 0.400 . 1 . . . . 12 GLU CA . 15003 1 113 . 1 1 12 12 GLU CB C 13 33.648 0.400 . 1 . . . . 12 GLU CB . 15003 1 114 . 1 1 12 12 GLU N N 15 119.257 0.400 . 1 . . . . 12 GLU N . 15003 1 115 . 1 1 13 13 VAL H H 1 8.689 0.020 . 1 . . . . 13 VAL H . 15003 1 116 . 1 1 13 13 VAL HA H 1 4.473 0.020 . 1 . . . . 13 VAL HA . 15003 1 117 . 1 1 13 13 VAL HB H 1 1.914 0.020 . 1 . . . . 13 VAL HB . 15003 1 118 . 1 1 13 13 VAL HG11 H 1 0.693 0.020 . 2 . . . . 13 VAL HG1 . 15003 1 119 . 1 1 13 13 VAL HG12 H 1 0.693 0.020 . 2 . . . . 13 VAL HG1 . 15003 1 120 . 1 1 13 13 VAL HG13 H 1 0.693 0.020 . 2 . . . . 13 VAL HG1 . 15003 1 121 . 1 1 13 13 VAL HG21 H 1 0.974 0.020 . 2 . . . . 13 VAL HG2 . 15003 1 122 . 1 1 13 13 VAL HG22 H 1 0.974 0.020 . 2 . . . . 13 VAL HG2 . 15003 1 123 . 1 1 13 13 VAL HG23 H 1 0.974 0.020 . 2 . . . . 13 VAL HG2 . 15003 1 124 . 1 1 13 13 VAL CA C 13 62.257 0.400 . 1 . . . . 13 VAL CA . 15003 1 125 . 1 1 13 13 VAL CG1 C 13 21.931 0.400 . 1 . . . . 13 VAL CG1 . 15003 1 126 . 1 1 13 13 VAL CG2 C 13 23.097 0.400 . 1 . . . . 13 VAL CG2 . 15003 1 127 . 1 1 13 13 VAL N N 15 121.032 0.400 . 1 . . . . 13 VAL N . 15003 1 128 . 1 1 14 14 ARG H H 1 8.607 0.020 . 1 . . . . 14 ARG H . 15003 1 129 . 1 1 14 14 ARG HA H 1 4.500 0.020 . 1 . . . . 14 ARG HA . 15003 1 130 . 1 1 14 14 ARG HB2 H 1 0.010 0.020 . 2 . . . . 14 ARG HB2 . 15003 1 131 . 1 1 14 14 ARG HB3 H 1 1.312 0.020 . 2 . . . . 14 ARG HB3 . 15003 1 132 . 1 1 14 14 ARG HG2 H 1 1.148 0.020 . 2 . . . . 14 ARG HG2 . 15003 1 133 . 1 1 14 14 ARG HG3 H 1 1.317 0.020 . 2 . . . . 14 ARG HG3 . 15003 1 134 . 1 1 14 14 ARG HD2 H 1 2.654 0.020 . 2 . . . . 14 ARG HD2 . 15003 1 135 . 1 1 14 14 ARG HD3 H 1 2.932 0.020 . 2 . . . . 14 ARG HD3 . 15003 1 136 . 1 1 14 14 ARG CA C 13 54.260 0.400 . 1 . . . . 14 ARG CA . 15003 1 137 . 1 1 14 14 ARG CB C 13 34.742 0.400 . 1 . . . . 14 ARG CB . 15003 1 138 . 1 1 14 14 ARG CG C 13 28.533 0.400 . 1 . . . . 14 ARG CG . 15003 1 139 . 1 1 14 14 ARG CD C 13 43.784 0.400 . 1 . . . . 14 ARG CD . 15003 1 140 . 1 1 14 14 ARG N N 15 127.340 0.400 . 1 . . . . 14 ARG N . 15003 1 141 . 1 1 15 15 HIS H H 1 8.623 0.020 . 1 . . . . 15 HIS H . 15003 1 142 . 1 1 15 15 HIS HA H 1 4.870 0.020 . 1 . . . . 15 HIS HA . 15003 1 143 . 1 1 15 15 HIS HB2 H 1 3.024 0.020 . 2 . . . . 15 HIS HB2 . 15003 1 144 . 1 1 15 15 HIS HB3 H 1 3.131 0.020 . 2 . . . . 15 HIS HB3 . 15003 1 145 . 1 1 15 15 HIS HD2 H 1 7.226 0.020 . 1 . . . . 15 HIS HD2 . 15003 1 146 . 1 1 15 15 HIS HE1 H 1 8.470 0.020 . 1 . . . . 15 HIS HE1 . 15003 1 147 . 1 1 15 15 HIS CA C 13 55.873 0.400 . 1 . . . . 15 HIS CA . 15003 1 148 . 1 1 15 15 HIS CD2 C 13 119.851 0.400 . 1 . . . . 15 HIS CD2 . 15003 1 149 . 1 1 15 15 HIS CE1 C 13 135.990 0.400 . 1 . . . . 15 HIS CE1 . 15003 1 150 . 1 1 15 15 HIS N N 15 116.340 0.400 . 1 . . . . 15 HIS N . 15003 1 151 . 1 1 16 16 SER H H 1 9.014 0.020 . 1 . . . . 16 SER H . 15003 1 152 . 1 1 16 16 SER HA H 1 4.739 0.020 . 1 . . . . 16 SER HA . 15003 1 153 . 1 1 16 16 SER HB2 H 1 4.159 0.020 . 1 . . . . 16 SER HB2 . 15003 1 154 . 1 1 16 16 SER HB3 H 1 4.159 0.020 . 1 . . . . 16 SER HB3 . 15003 1 155 . 1 1 16 16 SER CA C 13 57.666 0.400 . 1 . . . . 16 SER CA . 15003 1 156 . 1 1 16 16 SER CB C 13 64.930 0.400 . 1 . . . . 16 SER CB . 15003 1 157 . 1 1 16 16 SER N N 15 120.581 0.400 . 1 . . . . 16 SER N . 15003 1 158 . 1 1 17 17 ASN H H 1 9.098 0.020 . 1 . . . . 17 ASN H . 15003 1 159 . 1 1 17 17 ASN HA H 1 4.725 0.020 . 1 . . . . 17 ASN HA . 15003 1 160 . 1 1 17 17 ASN HB2 H 1 2.920 0.020 . 1 . . . . 17 ASN HB2 . 15003 1 161 . 1 1 17 17 ASN HB3 H 1 2.920 0.020 . 1 . . . . 17 ASN HB3 . 15003 1 162 . 1 1 17 17 ASN CA C 13 55.370 0.400 . 1 . . . . 17 ASN CA . 15003 1 163 . 1 1 17 17 ASN CB C 13 38.788 0.400 . 1 . . . . 17 ASN CB . 15003 1 164 . 1 1 17 17 ASN N N 15 125.328 0.400 . 1 . . . . 17 ASN N . 15003 1 165 . 1 1 18 18 SER H H 1 8.487 0.020 . 1 . . . . 18 SER H . 15003 1 166 . 1 1 18 18 SER HA H 1 4.376 0.020 . 1 . . . . 18 SER HA . 15003 1 167 . 1 1 18 18 SER HB2 H 1 3.882 0.020 . 1 . . . . 18 SER HB2 . 15003 1 168 . 1 1 18 18 SER HB3 H 1 3.882 0.020 . 1 . . . . 18 SER HB3 . 15003 1 169 . 1 1 18 18 SER CA C 13 60.120 0.400 . 1 . . . . 18 SER CA . 15003 1 170 . 1 1 18 18 SER CB C 13 63.360 0.400 . 1 . . . . 18 SER CB . 15003 1 171 . 1 1 18 18 SER N N 15 114.650 0.400 . 1 . . . . 18 SER N . 15003 1 172 . 1 1 19 19 LYS H H 1 7.957 0.020 . 1 . . . . 19 LYS H . 15003 1 173 . 1 1 19 19 LYS HA H 1 4.272 0.020 . 1 . . . . 19 LYS HA . 15003 1 174 . 1 1 19 19 LYS HB2 H 1 1.654 0.020 . 2 . . . . 19 LYS HB2 . 15003 1 175 . 1 1 19 19 LYS HB3 H 1 1.817 0.020 . 2 . . . . 19 LYS HB3 . 15003 1 176 . 1 1 19 19 LYS HG2 H 1 1.325 0.020 . 2 . . . . 19 LYS HG2 . 15003 1 177 . 1 1 19 19 LYS HE2 H 1 1.598 0.020 . 2 . . . . 19 LYS HE2 . 15003 1 178 . 1 1 19 19 LYS HE3 H 1 1.784 0.020 . 2 . . . . 19 LYS HE3 . 15003 1 179 . 1 1 19 19 LYS CB C 13 33.279 0.400 . 1 . . . . 19 LYS CB . 15003 1 180 . 1 1 19 19 LYS CE C 13 42.178 0.400 . 1 . . . . 19 LYS CE . 15003 1 181 . 1 1 19 19 LYS N N 15 118.980 0.400 . 1 . . . . 19 LYS N . 15003 1 182 . 1 1 20 20 ASN H H 1 8.040 0.020 . 1 . . . . 20 ASN H . 15003 1 183 . 1 1 20 20 ASN HA H 1 4.587 0.020 . 1 . . . . 20 ASN HA . 15003 1 184 . 1 1 20 20 ASN HB2 H 1 2.642 0.020 . 2 . . . . 20 ASN HB2 . 15003 1 185 . 1 1 20 20 ASN HB3 H 1 3.248 0.020 . 2 . . . . 20 ASN HB3 . 15003 1 186 . 1 1 20 20 ASN CA C 13 54.057 0.400 . 1 . . . . 20 ASN CA . 15003 1 187 . 1 1 20 20 ASN CB C 13 38.156 0.400 . 1 . . . . 20 ASN CB . 15003 1 188 . 1 1 20 20 ASN N N 15 117.020 0.400 . 1 . . . . 20 ASN N . 15003 1 189 . 1 1 21 21 LEU H H 1 7.500 0.020 . 1 . . . . 21 LEU H . 15003 1 190 . 1 1 21 21 LEU HA H 1 4.928 0.020 . 1 . . . . 21 LEU HA . 15003 1 191 . 1 1 21 21 LEU HB2 H 1 1.656 0.020 . 2 . . . . 21 LEU HB2 . 15003 1 192 . 1 1 21 21 LEU HB3 H 1 1.789 0.020 . 2 . . . . 21 LEU HB3 . 15003 1 193 . 1 1 21 21 LEU HG H 1 1.712 0.020 . 1 . . . . 21 LEU HG . 15003 1 194 . 1 1 21 21 LEU HD11 H 1 0.779 0.020 . 2 . . . . 21 LEU HD1 . 15003 1 195 . 1 1 21 21 LEU HD12 H 1 0.779 0.020 . 2 . . . . 21 LEU HD1 . 15003 1 196 . 1 1 21 21 LEU HD13 H 1 0.779 0.020 . 2 . . . . 21 LEU HD1 . 15003 1 197 . 1 1 21 21 LEU HD21 H 1 1.003 0.020 . 2 . . . . 21 LEU HD2 . 15003 1 198 . 1 1 21 21 LEU HD22 H 1 1.003 0.020 . 2 . . . . 21 LEU HD2 . 15003 1 199 . 1 1 21 21 LEU HD23 H 1 1.003 0.020 . 2 . . . . 21 LEU HD2 . 15003 1 200 . 1 1 21 21 LEU CA C 13 53.049 0.400 . 1 . . . . 21 LEU CA . 15003 1 201 . 1 1 21 21 LEU CB C 13 46.413 0.400 . 1 . . . . 21 LEU CB . 15003 1 202 . 1 1 21 21 LEU CD1 C 13 26.056 0.400 . 1 . . . . 21 LEU CD1 . 15003 1 203 . 1 1 21 21 LEU N N 15 119.126 0.400 . 1 . . . . 21 LEU N . 15003 1 204 . 1 1 22 22 PRO HA H 1 5.175 0.020 . 1 . . . . 22 PRO HA . 15003 1 205 . 1 1 22 22 PRO HB2 H 1 1.524 0.020 . 2 . . . . 22 PRO HB2 . 15003 1 206 . 1 1 22 22 PRO HB3 H 1 1.967 0.020 . 2 . . . . 22 PRO HB3 . 15003 1 207 . 1 1 22 22 PRO HG2 H 1 2.032 0.020 . 2 . . . . 22 PRO HG2 . 15003 1 208 . 1 1 22 22 PRO HG3 H 1 2.121 0.020 . 2 . . . . 22 PRO HG3 . 15003 1 209 . 1 1 22 22 PRO HD2 H 1 3.837 0.020 . 2 . . . . 22 PRO HD2 . 15003 1 210 . 1 1 22 22 PRO HD3 H 1 3.931 0.020 . 2 . . . . 22 PRO HD3 . 15003 1 211 . 1 1 22 22 PRO CA C 13 62.688 0.400 . 1 . . . . 22 PRO CA . 15003 1 212 . 1 1 22 22 PRO CB C 13 33.365 0.400 . 1 . . . . 22 PRO CB . 15003 1 213 . 1 1 22 22 PRO CD C 13 51.212 0.400 . 1 . . . . 22 PRO CD . 15003 1 214 . 1 1 23 23 TYR H H 1 8.401 0.020 . 1 . . . . 23 TYR H . 15003 1 215 . 1 1 23 23 TYR HA H 1 4.271 0.020 . 1 . . . . 23 TYR HA . 15003 1 216 . 1 1 23 23 TYR HB2 H 1 2.317 0.020 . 1 . . . . 23 TYR HB2 . 15003 1 217 . 1 1 23 23 TYR HB3 H 1 2.317 0.020 . 1 . . . . 23 TYR HB3 . 15003 1 218 . 1 1 23 23 TYR HD1 H 1 6.650 0.020 . 1 . . . . 23 TYR HD1 . 15003 1 219 . 1 1 23 23 TYR HD2 H 1 6.650 0.020 . 1 . . . . 23 TYR HD2 . 15003 1 220 . 1 1 23 23 TYR HE1 H 1 6.268 0.020 . 1 . . . . 23 TYR HE1 . 15003 1 221 . 1 1 23 23 TYR HE2 H 1 6.268 0.020 . 1 . . . . 23 TYR HE2 . 15003 1 222 . 1 1 23 23 TYR CB C 13 39.418 0.400 . 1 . . . . 23 TYR CB . 15003 1 223 . 1 1 23 23 TYR CD1 C 13 133.823 0.400 . 1 . . . . 23 TYR CD1 . 15003 1 224 . 1 1 23 23 TYR CE1 C 13 117.023 0.400 . 1 . . . . 23 TYR CE1 . 15003 1 225 . 1 1 23 23 TYR N N 15 115.563 0.400 . 1 . . . . 23 TYR N . 15003 1 226 . 1 1 24 24 TYR H H 1 8.763 0.020 . 1 . . . . 24 TYR H . 15003 1 227 . 1 1 24 24 TYR HA H 1 5.283 0.020 . 1 . . . . 24 TYR HA . 15003 1 228 . 1 1 24 24 TYR HB2 H 1 2.664 0.020 . 2 . . . . 24 TYR HB2 . 15003 1 229 . 1 1 24 24 TYR HB3 H 1 2.888 0.020 . 2 . . . . 24 TYR HB3 . 15003 1 230 . 1 1 24 24 TYR HD1 H 1 6.726 0.020 . 1 . . . . 24 TYR HD1 . 15003 1 231 . 1 1 24 24 TYR HD2 H 1 6.726 0.020 . 1 . . . . 24 TYR HD2 . 15003 1 232 . 1 1 24 24 TYR HE1 H 1 6.667 0.020 . 1 . . . . 24 TYR HE1 . 15003 1 233 . 1 1 24 24 TYR HE2 H 1 6.667 0.020 . 1 . . . . 24 TYR HE2 . 15003 1 234 . 1 1 24 24 TYR CA C 13 57.103 0.400 . 1 . . . . 24 TYR CA . 15003 1 235 . 1 1 24 24 TYR CD1 C 13 133.517 0.400 . 1 . . . . 24 TYR CD1 . 15003 1 236 . 1 1 24 24 TYR CE1 C 13 117.227 0.400 . 1 . . . . 24 TYR CE1 . 15003 1 237 . 1 1 24 24 TYR N N 15 118.388 0.400 . 1 . . . . 24 TYR N . 15003 1 238 . 1 1 25 25 PHE H H 1 9.507 0.020 . 1 . . . . 25 PHE H . 15003 1 239 . 1 1 25 25 PHE HA H 1 5.844 0.020 . 1 . . . . 25 PHE HA . 15003 1 240 . 1 1 25 25 PHE HB2 H 1 2.436 0.020 . 2 . . . . 25 PHE HB2 . 15003 1 241 . 1 1 25 25 PHE HB3 H 1 2.827 0.020 . 2 . . . . 25 PHE HB3 . 15003 1 242 . 1 1 25 25 PHE HD1 H 1 7.116 0.020 . 1 . . . . 25 PHE HD1 . 15003 1 243 . 1 1 25 25 PHE HD2 H 1 7.116 0.020 . 1 . . . . 25 PHE HD2 . 15003 1 244 . 1 1 25 25 PHE HE1 H 1 6.766 0.020 . 1 . . . . 25 PHE HE1 . 15003 1 245 . 1 1 25 25 PHE HE2 H 1 6.766 0.020 . 1 . . . . 25 PHE HE2 . 15003 1 246 . 1 1 25 25 PHE HZ H 1 8.555 0.020 . 1 . . . . 25 PHE HZ . 15003 1 247 . 1 1 25 25 PHE CA C 13 56.405 0.400 . 1 . . . . 25 PHE CA . 15003 1 248 . 1 1 25 25 PHE CB C 13 45.960 0.400 . 1 . . . . 25 PHE CB . 15003 1 249 . 1 1 25 25 PHE CD1 C 13 131.366 0.400 . 1 . . . . 25 PHE CD1 . 15003 1 250 . 1 1 25 25 PHE CE1 C 13 117.895 0.400 . 1 . . . . 25 PHE CE1 . 15003 1 251 . 1 1 25 25 PHE CZ C 13 135.707 0.400 . 1 . . . . 25 PHE CZ . 15003 1 252 . 1 1 25 25 PHE N N 15 124.942 0.400 . 1 . . . . 25 PHE N . 15003 1 253 . 1 1 26 26 ASN H H 1 7.519 0.020 . 1 . . . . 26 ASN H . 15003 1 254 . 1 1 26 26 ASN HA H 1 4.746 0.020 . 1 . . . . 26 ASN HA . 15003 1 255 . 1 1 26 26 ASN HB2 H 1 2.111 0.020 . 2 . . . . 26 ASN HB2 . 15003 1 256 . 1 1 26 26 ASN HB3 H 1 2.324 0.020 . 2 . . . . 26 ASN HB3 . 15003 1 257 . 1 1 26 26 ASN CA C 13 48.571 0.400 . 1 . . . . 26 ASN CA . 15003 1 258 . 1 1 26 26 ASN CB C 13 39.183 0.400 . 1 . . . . 26 ASN CB . 15003 1 259 . 1 1 26 26 ASN N N 15 127.659 0.400 . 1 . . . . 26 ASN N . 15003 1 260 . 1 1 27 27 PRO HA H 1 3.745 0.020 . 1 . . . . 27 PRO HA . 15003 1 261 . 1 1 27 27 PRO HB2 H 1 1.868 0.020 . 2 . . . . 27 PRO HB2 . 15003 1 262 . 1 1 27 27 PRO HB3 H 1 2.288 0.020 . 2 . . . . 27 PRO HB3 . 15003 1 263 . 1 1 27 27 PRO HG2 H 1 1.844 0.020 . 2 . . . . 27 PRO HG2 . 15003 1 264 . 1 1 27 27 PRO HG3 H 1 1.958 0.020 . 2 . . . . 27 PRO HG3 . 15003 1 265 . 1 1 27 27 PRO HD2 H 1 3.426 0.020 . 2 . . . . 27 PRO HD2 . 15003 1 266 . 1 1 27 27 PRO HD3 H 1 3.880 0.020 . 2 . . . . 27 PRO HD3 . 15003 1 267 . 1 1 27 27 PRO CA C 13 64.854 0.400 . 1 . . . . 27 PRO CA . 15003 1 268 . 1 1 27 27 PRO CB C 13 32.825 0.400 . 1 . . . . 27 PRO CB . 15003 1 269 . 1 1 27 27 PRO CD C 13 51.176 0.400 . 1 . . . . 27 PRO CD . 15003 1 270 . 1 1 28 28 ALA H H 1 7.872 0.020 . 1 . . . . 28 ALA H . 15003 1 271 . 1 1 28 28 ALA HA H 1 4.089 0.020 . 1 . . . . 28 ALA HA . 15003 1 272 . 1 1 28 28 ALA HB1 H 1 1.342 0.020 . 1 . . . . 28 ALA HB . 15003 1 273 . 1 1 28 28 ALA HB2 H 1 1.342 0.020 . 1 . . . . 28 ALA HB . 15003 1 274 . 1 1 28 28 ALA HB3 H 1 1.342 0.020 . 1 . . . . 28 ALA HB . 15003 1 275 . 1 1 28 28 ALA CA C 13 55.136 0.400 . 1 . . . . 28 ALA CA . 15003 1 276 . 1 1 28 28 ALA N N 15 118.815 0.400 . 1 . . . . 28 ALA N . 15003 1 277 . 1 1 29 29 THR H H 1 7.164 0.020 . 1 . . . . 29 THR H . 15003 1 278 . 1 1 29 29 THR HA H 1 4.279 0.020 . 1 . . . . 29 THR HA . 15003 1 279 . 1 1 29 29 THR HB H 1 4.224 0.020 . 1 . . . . 29 THR HB . 15003 1 280 . 1 1 29 29 THR HG21 H 1 0.997 0.020 . 1 . . . . 29 THR HG2 . 15003 1 281 . 1 1 29 29 THR HG22 H 1 0.997 0.020 . 1 . . . . 29 THR HG2 . 15003 1 282 . 1 1 29 29 THR HG23 H 1 0.997 0.020 . 1 . . . . 29 THR HG2 . 15003 1 283 . 1 1 29 29 THR CB C 13 70.326 0.400 . 1 . . . . 29 THR CB . 15003 1 284 . 1 1 29 29 THR N N 15 106.145 0.400 . 1 . . . . 29 THR N . 15003 1 285 . 1 1 30 30 ARG H H 1 8.274 0.020 . 1 . . . . 30 ARG H . 15003 1 286 . 1 1 30 30 ARG HA H 1 3.320 0.020 . 1 . . . . 30 ARG HA . 15003 1 287 . 1 1 30 30 ARG HB2 H 1 2.121 0.020 . 1 . . . . 30 ARG HB2 . 15003 1 288 . 1 1 30 30 ARG HB3 H 1 2.121 0.020 . 1 . . . . 30 ARG HB3 . 15003 1 289 . 1 1 30 30 ARG HG2 H 1 1.540 0.020 . 1 . . . . 30 ARG HG2 . 15003 1 290 . 1 1 30 30 ARG HG3 H 1 1.540 0.020 . 1 . . . . 30 ARG HG3 . 15003 1 291 . 1 1 30 30 ARG CA C 13 58.285 0.400 . 1 . . . . 30 ARG CA . 15003 1 292 . 1 1 30 30 ARG CB C 13 26.890 0.400 . 1 . . . . 30 ARG CB . 15003 1 293 . 1 1 30 30 ARG CG C 13 28.597 0.400 . 1 . . . . 30 ARG CG . 15003 1 294 . 1 1 30 30 ARG N N 15 117.407 0.400 . 1 . . . . 30 ARG N . 15003 1 295 . 1 1 31 31 GLU H H 1 7.235 0.020 . 1 . . . . 31 GLU H . 15003 1 296 . 1 1 31 31 GLU HA H 1 4.311 0.020 . 1 . . . . 31 GLU HA . 15003 1 297 . 1 1 31 31 GLU HB2 H 1 1.743 0.020 . 2 . . . . 31 GLU HB2 . 15003 1 298 . 1 1 31 31 GLU HB3 H 1 1.840 0.020 . 2 . . . . 31 GLU HB3 . 15003 1 299 . 1 1 31 31 GLU HG2 H 1 2.259 0.020 . 2 . . . . 31 GLU HG2 . 15003 1 300 . 1 1 31 31 GLU HG3 H 1 2.457 0.020 . 2 . . . . 31 GLU HG3 . 15003 1 301 . 1 1 31 31 GLU CA C 13 57.170 0.400 . 1 . . . . 31 GLU CA . 15003 1 302 . 1 1 31 31 GLU CB C 13 31.860 0.400 . 1 . . . . 31 GLU CB . 15003 1 303 . 1 1 31 31 GLU CG C 13 36.731 0.400 . 1 . . . . 31 GLU CG . 15003 1 304 . 1 1 31 31 GLU N N 15 120.195 0.400 . 1 . . . . 31 GLU N . 15003 1 305 . 1 1 32 32 SER H H 1 8.539 0.020 . 1 . . . . 32 SER H . 15003 1 306 . 1 1 32 32 SER HA H 1 5.851 0.020 . 1 . . . . 32 SER HA . 15003 1 307 . 1 1 32 32 SER HB2 H 1 3.659 0.020 . 1 . . . . 32 SER HB2 . 15003 1 308 . 1 1 32 32 SER HB3 H 1 3.659 0.020 . 1 . . . . 32 SER HB3 . 15003 1 309 . 1 1 32 32 SER CB C 13 66.212 0.400 . 1 . . . . 32 SER CB . 15003 1 310 . 1 1 32 32 SER N N 15 118.014 0.400 . 1 . . . . 32 SER N . 15003 1 311 . 1 1 33 33 ARG H H 1 9.671 0.020 . 1 . . . . 33 ARG H . 15003 1 312 . 1 1 33 33 ARG HA H 1 4.809 0.020 . 1 . . . . 33 ARG HA . 15003 1 313 . 1 1 33 33 ARG HB2 H 1 1.784 0.020 . 2 . . . . 33 ARG HB2 . 15003 1 314 . 1 1 33 33 ARG HB3 H 1 2.466 0.020 . 2 . . . . 33 ARG HB3 . 15003 1 315 . 1 1 33 33 ARG HG2 H 1 1.704 0.020 . 2 . . . . 33 ARG HG2 . 15003 1 316 . 1 1 33 33 ARG HG3 H 1 1.819 0.020 . 2 . . . . 33 ARG HG3 . 15003 1 317 . 1 1 33 33 ARG HD2 H 1 2.595 0.020 . 2 . . . . 33 ARG HD2 . 15003 1 318 . 1 1 33 33 ARG HD3 H 1 3.241 0.020 . 2 . . . . 33 ARG HD3 . 15003 1 319 . 1 1 33 33 ARG CA C 13 55.070 0.400 . 1 . . . . 33 ARG CA . 15003 1 320 . 1 1 33 33 ARG CB C 13 36.918 0.400 . 1 . . . . 33 ARG CB . 15003 1 321 . 1 1 33 33 ARG CG C 13 27.724 0.400 . 1 . . . . 33 ARG CG . 15003 1 322 . 1 1 33 33 ARG CD C 13 45.328 0.400 . 1 . . . . 33 ARG CD . 15003 1 323 . 1 1 33 33 ARG N N 15 122.211 0.400 . 1 . . . . 33 ARG N . 15003 1 324 . 1 1 34 34 TRP H H 1 8.928 0.020 . 1 . . . . 34 TRP H . 15003 1 325 . 1 1 34 34 TRP HA H 1 4.929 0.020 . 1 . . . . 34 TRP HA . 15003 1 326 . 1 1 34 34 TRP HB2 H 1 3.131 0.020 . 2 . . . . 34 TRP HB2 . 15003 1 327 . 1 1 34 34 TRP HB3 H 1 3.690 0.020 . 2 . . . . 34 TRP HB3 . 15003 1 328 . 1 1 34 34 TRP HD1 H 1 7.379 0.020 . 1 . . . . 34 TRP HD1 . 15003 1 329 . 1 1 34 34 TRP HE3 H 1 6.862 0.020 . 1 . . . . 34 TRP HE3 . 15003 1 330 . 1 1 34 34 TRP HZ2 H 1 7.488 0.020 . 1 . . . . 34 TRP HZ2 . 15003 1 331 . 1 1 34 34 TRP HZ3 H 1 6.867 0.020 . 1 . . . . 34 TRP HZ3 . 15003 1 332 . 1 1 34 34 TRP HH2 H 1 7.382 0.020 . 1 . . . . 34 TRP HH2 . 15003 1 333 . 1 1 34 34 TRP CA C 13 58.666 0.400 . 1 . . . . 34 TRP CA . 15003 1 334 . 1 1 34 34 TRP CD1 C 13 127.714 0.400 . 1 . . . . 34 TRP CD1 . 15003 1 335 . 1 1 34 34 TRP CE3 C 13 124.729 0.400 . 1 . . . . 34 TRP CE3 . 15003 1 336 . 1 1 34 34 TRP CZ2 C 13 114.873 0.400 . 1 . . . . 34 TRP CZ2 . 15003 1 337 . 1 1 34 34 TRP CZ3 C 13 122.048 0.400 . 1 . . . . 34 TRP CZ3 . 15003 1 338 . 1 1 34 34 TRP CH2 C 13 119.697 0.400 . 1 . . . . 34 TRP CH2 . 15003 1 339 . 1 1 34 34 TRP N N 15 119.813 0.400 . 1 . . . . 34 TRP N . 15003 1 340 . 1 1 35 35 GLU H H 1 7.652 0.020 . 1 . . . . 35 GLU H . 15003 1 341 . 1 1 35 35 GLU HA H 1 5.061 0.020 . 1 . . . . 35 GLU HA . 15003 1 342 . 1 1 35 35 GLU HB2 H 1 1.816 0.020 . 2 . . . . 35 GLU HB2 . 15003 1 343 . 1 1 35 35 GLU HB3 H 1 2.078 0.020 . 2 . . . . 35 GLU HB3 . 15003 1 344 . 1 1 35 35 GLU CA C 13 53.038 0.400 . 1 . . . . 35 GLU CA . 15003 1 345 . 1 1 35 35 GLU CB C 13 29.941 0.400 . 1 . . . . 35 GLU CB . 15003 1 346 . 1 1 35 35 GLU N N 15 117.362 0.400 . 1 . . . . 35 GLU N . 15003 1 347 . 1 1 37 37 PRO HA H 1 3.890 0.020 . 1 . . . . 37 PRO HA . 15003 1 348 . 1 1 37 37 PRO HB2 H 1 0.905 0.020 . 2 . . . . 37 PRO HB2 . 15003 1 349 . 1 1 37 37 PRO HB3 H 1 1.222 0.020 . 2 . . . . 37 PRO HB3 . 15003 1 350 . 1 1 37 37 PRO HG2 H 1 -0.268 0.020 . 2 . . . . 37 PRO HG2 . 15003 1 351 . 1 1 37 37 PRO HG3 H 1 0.430 0.020 . 2 . . . . 37 PRO HG3 . 15003 1 352 . 1 1 37 37 PRO HD2 H 1 2.229 0.020 . 2 . . . . 37 PRO HD2 . 15003 1 353 . 1 1 37 37 PRO HD3 H 1 2.665 0.020 . 2 . . . . 37 PRO HD3 . 15003 1 354 . 1 1 37 37 PRO CA C 13 61.855 0.400 . 1 . . . . 37 PRO CA . 15003 1 355 . 1 1 37 37 PRO CB C 13 32.736 0.400 . 1 . . . . 37 PRO CB . 15003 1 356 . 1 1 37 37 PRO CG C 13 26.405 0.400 . 1 . . . . 37 PRO CG . 15003 1 357 . 1 1 37 37 PRO CD C 13 49.969 0.400 . 1 . . . . 37 PRO CD . 15003 1 358 . 1 1 38 38 ALA H H 1 8.559 0.020 . 1 . . . . 38 ALA H . 15003 1 359 . 1 1 38 38 ALA HA H 1 3.964 0.020 . 1 . . . . 38 ALA HA . 15003 1 360 . 1 1 38 38 ALA HB1 H 1 1.272 0.020 . 1 . . . . 38 ALA HB . 15003 1 361 . 1 1 38 38 ALA HB2 H 1 1.272 0.020 . 1 . . . . 38 ALA HB . 15003 1 362 . 1 1 38 38 ALA HB3 H 1 1.272 0.020 . 1 . . . . 38 ALA HB . 15003 1 363 . 1 1 38 38 ALA CA C 13 54.060 0.400 . 1 . . . . 38 ALA CA . 15003 1 364 . 1 1 38 38 ALA CB C 13 18.867 0.400 . 1 . . . . 38 ALA CB . 15003 1 365 . 1 1 38 38 ALA N N 15 124.498 0.400 . 1 . . . . 38 ALA N . 15003 1 366 . 1 1 39 39 ASP H H 1 8.763 0.020 . 1 . . . . 39 ASP H . 15003 1 367 . 1 1 39 39 ASP HA H 1 4.280 0.020 . 1 . . . . 39 ASP HA . 15003 1 368 . 1 1 39 39 ASP HB2 H 1 2.972 0.020 . 1 . . . . 39 ASP HB2 . 15003 1 369 . 1 1 39 39 ASP HB3 H 1 2.972 0.020 . 1 . . . . 39 ASP HB3 . 15003 1 370 . 1 1 39 39 ASP CA C 13 54.975 0.400 . 1 . . . . 39 ASP CA . 15003 1 371 . 1 1 39 39 ASP CB C 13 37.499 0.400 . 1 . . . . 39 ASP CB . 15003 1 372 . 1 1 39 39 ASP N N 15 112.519 0.400 . 1 . . . . 39 ASP N . 15003 1 373 . 1 1 40 40 THR H H 1 7.368 0.020 . 1 . . . . 40 THR H . 15003 1 374 . 1 1 40 40 THR HA H 1 3.974 0.020 . 1 . . . . 40 THR HA . 15003 1 375 . 1 1 40 40 THR HB H 1 3.632 0.020 . 1 . . . . 40 THR HB . 15003 1 376 . 1 1 40 40 THR HG21 H 1 0.781 0.020 . 1 . . . . 40 THR HG2 . 15003 1 377 . 1 1 40 40 THR HG22 H 1 0.781 0.020 . 1 . . . . 40 THR HG2 . 15003 1 378 . 1 1 40 40 THR HG23 H 1 0.781 0.020 . 1 . . . . 40 THR HG2 . 15003 1 379 . 1 1 40 40 THR CA C 13 65.074 0.400 . 1 . . . . 40 THR CA . 15003 1 380 . 1 1 40 40 THR CB C 13 70.228 0.400 . 1 . . . . 40 THR CB . 15003 1 381 . 1 1 40 40 THR CG2 C 13 23.489 0.400 . 1 . . . . 40 THR CG2 . 15003 1 382 . 1 1 40 40 THR N N 15 117.334 0.400 . 1 . . . . 40 THR N . 15003 1 383 . 1 1 41 41 ASP H H 1 8.775 0.020 . 1 . . . . 41 ASP H . 15003 1 384 . 1 1 41 41 ASP HA H 1 4.680 0.020 . 1 . . . . 41 ASP HA . 15003 1 385 . 1 1 41 41 ASP HB2 H 1 2.777 0.020 . 2 . . . . 41 ASP HB2 . 15003 1 386 . 1 1 41 41 ASP HB3 H 1 3.045 0.020 . 2 . . . . 41 ASP HB3 . 15003 1 387 . 1 1 41 41 ASP CA C 13 53.106 0.400 . 1 . . . . 41 ASP CA . 15003 1 388 . 1 1 41 41 ASP CB C 13 38.956 0.400 . 1 . . . . 41 ASP CB . 15003 1 389 . 1 1 41 41 ASP N N 15 125.893 0.400 . 1 . . . . 41 ASP N . 15003 1 390 . 1 1 42 42 MET H H 1 8.573 0.020 . 1 . . . . 42 MET H . 15003 1 391 . 1 1 42 42 MET HA H 1 4.237 0.020 . 1 . . . . 42 MET HA . 15003 1 392 . 1 1 42 42 MET HB2 H 1 2.040 0.020 . 1 . . . . 42 MET HB2 . 15003 1 393 . 1 1 42 42 MET HB3 H 1 2.040 0.020 . 1 . . . . 42 MET HB3 . 15003 1 394 . 1 1 42 42 MET HG2 H 1 2.529 0.020 . 2 . . . . 42 MET HG2 . 15003 1 395 . 1 1 42 42 MET HG3 H 1 2.739 0.020 . 2 . . . . 42 MET HG3 . 15003 1 396 . 1 1 42 42 MET CB C 13 31.164 0.400 . 1 . . . . 42 MET CB . 15003 1 397 . 1 1 42 42 MET N N 15 125.770 0.400 . 1 . . . . 42 MET N . 15003 1 398 . 1 1 43 43 GLU H H 1 8.433 0.020 . 1 . . . . 43 GLU H . 15003 1 399 . 1 1 43 43 GLU HA H 1 4.146 0.020 . 1 . . . . 43 GLU HA . 15003 1 400 . 1 1 43 43 GLU HB2 H 1 2.112 0.020 . 2 . . . . 43 GLU HB2 . 15003 1 401 . 1 1 43 43 GLU HB3 H 1 2.167 0.020 . 2 . . . . 43 GLU HB3 . 15003 1 402 . 1 1 43 43 GLU HG2 H 1 2.473 0.020 . 1 . . . . 43 GLU HG2 . 15003 1 403 . 1 1 43 43 GLU HG3 H 1 2.473 0.020 . 1 . . . . 43 GLU HG3 . 15003 1 404 . 1 1 43 43 GLU CA C 13 59.786 0.400 . 1 . . . . 43 GLU CA . 15003 1 405 . 1 1 43 43 GLU CG C 13 34.358 0.400 . 1 . . . . 43 GLU CG . 15003 1 406 . 1 1 43 43 GLU N N 15 120.298 0.400 . 1 . . . . 43 GLU N . 15003 1 407 . 1 1 44 44 THR H H 1 7.428 0.020 . 1 . . . . 44 THR H . 15003 1 408 . 1 1 44 44 THR HA H 1 3.882 0.020 . 1 . . . . 44 THR HA . 15003 1 409 . 1 1 44 44 THR HB H 1 3.841 0.020 . 1 . . . . 44 THR HB . 15003 1 410 . 1 1 44 44 THR HG21 H 1 1.005 0.020 . 1 . . . . 44 THR HG2 . 15003 1 411 . 1 1 44 44 THR HG22 H 1 1.005 0.020 . 1 . . . . 44 THR HG2 . 15003 1 412 . 1 1 44 44 THR HG23 H 1 1.005 0.020 . 1 . . . . 44 THR HG2 . 15003 1 413 . 1 1 44 44 THR CA C 13 67.038 0.400 . 1 . . . . 44 THR CA . 15003 1 414 . 1 1 44 44 THR CB C 13 68.752 0.400 . 1 . . . . 44 THR CB . 15003 1 415 . 1 1 44 44 THR N N 15 118.140 0.400 . 1 . . . . 44 THR N . 15003 1 416 . 1 1 45 45 LEU H H 1 8.359 0.020 . 1 . . . . 45 LEU H . 15003 1 417 . 1 1 45 45 LEU HA H 1 4.665 0.020 . 1 . . . . 45 LEU HA . 15003 1 418 . 1 1 45 45 LEU HB2 H 1 1.592 0.020 . 2 . . . . 45 LEU HB2 . 15003 1 419 . 1 1 45 45 LEU HB3 H 1 1.776 0.020 . 2 . . . . 45 LEU HB3 . 15003 1 420 . 1 1 45 45 LEU HG H 1 1.718 0.020 . 1 . . . . 45 LEU HG . 15003 1 421 . 1 1 45 45 LEU HD11 H 1 0.790 0.020 . 2 . . . . 45 LEU HD1 . 15003 1 422 . 1 1 45 45 LEU HD12 H 1 0.790 0.020 . 2 . . . . 45 LEU HD1 . 15003 1 423 . 1 1 45 45 LEU HD13 H 1 0.790 0.020 . 2 . . . . 45 LEU HD1 . 15003 1 424 . 1 1 45 45 LEU HD21 H 1 1.139 0.020 . 2 . . . . 45 LEU HD2 . 15003 1 425 . 1 1 45 45 LEU HD22 H 1 1.139 0.020 . 2 . . . . 45 LEU HD2 . 15003 1 426 . 1 1 45 45 LEU HD23 H 1 1.139 0.020 . 2 . . . . 45 LEU HD2 . 15003 1 427 . 1 1 45 45 LEU CA C 13 58.897 0.400 . 1 . . . . 45 LEU CA . 15003 1 428 . 1 1 45 45 LEU CB C 13 41.982 0.400 . 1 . . . . 45 LEU CB . 15003 1 429 . 1 1 45 45 LEU CG C 13 27.909 0.400 . 1 . . . . 45 LEU CG . 15003 1 430 . 1 1 45 45 LEU CD1 C 13 23.727 0.400 . 1 . . . . 45 LEU CD1 . 15003 1 431 . 1 1 45 45 LEU CD2 C 13 23.788 0.400 . 1 . . . . 45 LEU CD2 . 15003 1 432 . 1 1 45 45 LEU N N 15 125.262 0.400 . 1 . . . . 45 LEU N . 15003 1 433 . 1 1 46 46 LYS H H 1 8.312 0.020 . 1 . . . . 46 LYS H . 15003 1 434 . 1 1 46 46 LYS HA H 1 3.976 0.020 . 1 . . . . 46 LYS HA . 15003 1 435 . 1 1 46 46 LYS HB2 H 1 1.925 0.020 . 2 . . . . 46 LYS HB2 . 15003 1 436 . 1 1 46 46 LYS HB3 H 1 2.080 0.020 . 2 . . . . 46 LYS HB3 . 15003 1 437 . 1 1 46 46 LYS HG2 H 1 1.426 0.020 . 2 . . . . 46 LYS HG2 . 15003 1 438 . 1 1 46 46 LYS HG3 H 1 1.602 0.020 . 2 . . . . 46 LYS HG3 . 15003 1 439 . 1 1 46 46 LYS HD2 H 1 1.597 0.020 . 2 . . . . 46 LYS HD2 . 15003 1 440 . 1 1 46 46 LYS HD3 H 1 1.695 0.020 . 2 . . . . 46 LYS HD3 . 15003 1 441 . 1 1 46 46 LYS HE2 H 1 2.772 0.020 . 2 . . . . 46 LYS HE2 . 15003 1 442 . 1 1 46 46 LYS HE3 H 1 2.947 0.020 . 2 . . . . 46 LYS HE3 . 15003 1 443 . 1 1 46 46 LYS CA C 13 60.661 0.400 . 1 . . . . 46 LYS CA . 15003 1 444 . 1 1 46 46 LYS CB C 13 33.508 0.400 . 1 . . . . 46 LYS CB . 15003 1 445 . 1 1 46 46 LYS CG C 13 26.026 0.400 . 1 . . . . 46 LYS CG . 15003 1 446 . 1 1 46 46 LYS CD C 13 30.111 0.400 . 1 . . . . 46 LYS CD . 15003 1 447 . 1 1 46 46 LYS CE C 13 42.516 0.400 . 1 . . . . 46 LYS CE . 15003 1 448 . 1 1 46 46 LYS N N 15 119.008 0.400 . 1 . . . . 46 LYS N . 15003 1 449 . 1 1 47 47 MET H H 1 7.505 0.020 . 1 . . . . 47 MET H . 15003 1 450 . 1 1 47 47 MET HA H 1 4.312 0.020 . 1 . . . . 47 MET HA . 15003 1 451 . 1 1 47 47 MET HB2 H 1 2.265 0.020 . 1 . . . . 47 MET HB2 . 15003 1 452 . 1 1 47 47 MET HB3 H 1 2.265 0.020 . 1 . . . . 47 MET HB3 . 15003 1 453 . 1 1 47 47 MET HG2 H 1 2.649 0.020 . 2 . . . . 47 MET HG2 . 15003 1 454 . 1 1 47 47 MET HG3 H 1 2.781 0.020 . 2 . . . . 47 MET HG3 . 15003 1 455 . 1 1 47 47 MET CA C 13 58.741 0.400 . 1 . . . . 47 MET CA . 15003 1 456 . 1 1 47 47 MET CG C 13 32.651 0.400 . 1 . . . . 47 MET CG . 15003 1 457 . 1 1 47 47 MET N N 15 118.060 0.400 . 1 . . . . 47 MET N . 15003 1 458 . 1 1 48 48 TYR H H 1 8.658 0.020 . 1 . . . . 48 TYR H . 15003 1 459 . 1 1 48 48 TYR HA H 1 4.217 0.020 . 1 . . . . 48 TYR HA . 15003 1 460 . 1 1 48 48 TYR HB2 H 1 3.372 0.020 . 2 . . . . 48 TYR HB2 . 15003 1 461 . 1 1 48 48 TYR HB3 H 1 3.464 0.020 . 2 . . . . 48 TYR HB3 . 15003 1 462 . 1 1 48 48 TYR HD1 H 1 7.014 0.020 . 1 . . . . 48 TYR HD1 . 15003 1 463 . 1 1 48 48 TYR HD2 H 1 7.014 0.020 . 1 . . . . 48 TYR HD2 . 15003 1 464 . 1 1 48 48 TYR HE1 H 1 6.630 0.020 . 1 . . . . 48 TYR HE1 . 15003 1 465 . 1 1 48 48 TYR HE2 H 1 6.630 0.020 . 1 . . . . 48 TYR HE2 . 15003 1 466 . 1 1 48 48 TYR CA C 13 62.487 0.400 . 1 . . . . 48 TYR CA . 15003 1 467 . 1 1 48 48 TYR CB C 13 39.019 0.400 . 1 . . . . 48 TYR CB . 15003 1 468 . 1 1 48 48 TYR CD1 C 13 133.258 0.400 . 1 . . . . 48 TYR CD1 . 15003 1 469 . 1 1 48 48 TYR CE1 C 13 118.601 0.400 . 1 . . . . 48 TYR CE1 . 15003 1 470 . 1 1 48 48 TYR N N 15 123.686 0.400 . 1 . . . . 48 TYR N . 15003 1 471 . 1 1 49 49 MET H H 1 9.170 0.020 . 1 . . . . 49 MET H . 15003 1 472 . 1 1 49 49 MET HA H 1 4.353 0.020 . 1 . . . . 49 MET HA . 15003 1 473 . 1 1 49 49 MET HB2 H 1 2.204 0.020 . 1 . . . . 49 MET HB2 . 15003 1 474 . 1 1 49 49 MET HB3 H 1 2.204 0.020 . 1 . . . . 49 MET HB3 . 15003 1 475 . 1 1 49 49 MET HG2 H 1 2.941 0.020 . 1 . . . . 49 MET HG2 . 15003 1 476 . 1 1 49 49 MET HG3 H 1 2.941 0.020 . 1 . . . . 49 MET HG3 . 15003 1 477 . 1 1 49 49 MET CA C 13 56.963 0.400 . 1 . . . . 49 MET CA . 15003 1 478 . 1 1 49 49 MET CB C 13 31.664 0.400 . 1 . . . . 49 MET CB . 15003 1 479 . 1 1 49 49 MET CG C 13 33.523 0.400 . 1 . . . . 49 MET CG . 15003 1 480 . 1 1 49 49 MET N N 15 117.211 0.400 . 1 . . . . 49 MET N . 15003 1 481 . 1 1 50 50 ALA H H 1 7.633 0.020 . 1 . . . . 50 ALA H . 15003 1 482 . 1 1 50 50 ALA HA H 1 4.271 0.020 . 1 . . . . 50 ALA HA . 15003 1 483 . 1 1 50 50 ALA HB1 H 1 1.570 0.020 . 1 . . . . 50 ALA HB . 15003 1 484 . 1 1 50 50 ALA HB2 H 1 1.570 0.020 . 1 . . . . 50 ALA HB . 15003 1 485 . 1 1 50 50 ALA HB3 H 1 1.570 0.020 . 1 . . . . 50 ALA HB . 15003 1 486 . 1 1 50 50 ALA CA C 13 55.103 0.400 . 1 . . . . 50 ALA CA . 15003 1 487 . 1 1 50 50 ALA CB C 13 19.174 0.400 . 1 . . . . 50 ALA CB . 15003 1 488 . 1 1 50 50 ALA N N 15 121.006 0.400 . 1 . . . . 50 ALA N . 15003 1 489 . 1 1 51 51 THR H H 1 7.434 0.020 . 1 . . . . 51 THR H . 15003 1 490 . 1 1 51 51 THR HA H 1 4.223 0.020 . 1 . . . . 51 THR HA . 15003 1 491 . 1 1 51 51 THR HB H 1 4.292 0.020 . 1 . . . . 51 THR HB . 15003 1 492 . 1 1 51 51 THR HG21 H 1 0.975 0.020 . 1 . . . . 51 THR HG2 . 15003 1 493 . 1 1 51 51 THR HG22 H 1 0.975 0.020 . 1 . . . . 51 THR HG2 . 15003 1 494 . 1 1 51 51 THR HG23 H 1 0.975 0.020 . 1 . . . . 51 THR HG2 . 15003 1 495 . 1 1 51 51 THR CA C 13 62.451 0.400 . 1 . . . . 51 THR CA . 15003 1 496 . 1 1 51 51 THR CB C 13 62.538 0.400 . 1 . . . . 51 THR CB . 15003 1 497 . 1 1 51 51 THR CG2 C 13 21.767 0.400 . 1 . . . . 51 THR CG2 . 15003 1 498 . 1 1 51 51 THR N N 15 107.770 0.400 . 1 . . . . 51 THR N . 15003 1 499 . 1 1 52 52 TYR H H 1 7.584 0.020 . 1 . . . . 52 TYR H . 15003 1 500 . 1 1 52 52 TYR HA H 1 4.215 0.020 . 1 . . . . 52 TYR HA . 15003 1 501 . 1 1 52 52 TYR HB2 H 1 2.565 0.020 . 2 . . . . 52 TYR HB2 . 15003 1 502 . 1 1 52 52 TYR HB3 H 1 2.833 0.020 . 2 . . . . 52 TYR HB3 . 15003 1 503 . 1 1 52 52 TYR HD1 H 1 6.913 0.020 . 1 . . . . 52 TYR HD1 . 15003 1 504 . 1 1 52 52 TYR HD2 H 1 6.913 0.020 . 1 . . . . 52 TYR HD2 . 15003 1 505 . 1 1 52 52 TYR HE1 H 1 6.583 0.020 . 1 . . . . 52 TYR HE1 . 15003 1 506 . 1 1 52 52 TYR HE2 H 1 6.583 0.020 . 1 . . . . 52 TYR HE2 . 15003 1 507 . 1 1 52 52 TYR CA C 13 59.445 0.400 . 1 . . . . 52 TYR CA . 15003 1 508 . 1 1 52 52 TYR CB C 13 39.593 0.400 . 1 . . . . 52 TYR CB . 15003 1 509 . 1 1 52 52 TYR CD1 C 13 133.275 0.400 . 1 . . . . 52 TYR CD1 . 15003 1 510 . 1 1 52 52 TYR CE1 C 13 117.625 0.400 . 1 . . . . 52 TYR CE1 . 15003 1 511 . 1 1 52 52 TYR N N 15 123.408 0.400 . 1 . . . . 52 TYR N . 15003 1 512 . 1 1 53 53 HIS H H 1 7.600 0.020 . 1 . . . . 53 HIS H . 15003 1 513 . 1 1 53 53 HIS HA H 1 4.290 0.020 . 1 . . . . 53 HIS HA . 15003 1 514 . 1 1 53 53 HIS HB2 H 1 3.016 0.020 . 2 . . . . 53 HIS HB2 . 15003 1 515 . 1 1 53 53 HIS HB3 H 1 3.193 0.020 . 2 . . . . 53 HIS HB3 . 15003 1 516 . 1 1 53 53 HIS HD1 H 1 7.633 0.020 . 1 . . . . 53 HIS HD1 . 15003 1 517 . 1 1 53 53 HIS HD2 H 1 7.105 0.020 . 1 . . . . 53 HIS HD2 . 15003 1 518 . 1 1 53 53 HIS HE1 H 1 8.515 0.020 . 1 . . . . 53 HIS HE1 . 15003 1 519 . 1 1 53 53 HIS CA C 13 56.995 0.400 . 1 . . . . 53 HIS CA . 15003 1 520 . 1 1 53 53 HIS CB C 13 30.457 0.400 . 1 . . . . 53 HIS CB . 15003 1 521 . 1 1 53 53 HIS CD2 C 13 119.490 0.400 . 1 . . . . 53 HIS CD2 . 15003 1 522 . 1 1 53 53 HIS CE1 C 13 135.637 0.400 . 1 . . . . 53 HIS CE1 . 15003 1 523 . 1 1 53 53 HIS N N 15 125.608 0.400 . 1 . . . . 53 HIS N . 15003 1 524 . 1 1 53 53 HIS ND1 N 15 119.824 0.400 . 1 . . . . 53 HIS ND1 . 15003 1 stop_ save_