################################### # 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 11383 _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 15N-separated NOESY' 1 $sample_1 isotropic 11383 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11383 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 $XWINNMR . . 11383 1 2 $NMRPipe . . 11383 1 3 $NMRView . . 11383 1 4 $Kujira . . 11383 1 5 $CYANA . . 11383 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 SER HA H 1 4.465 0.030 . 1 . . . . 8 SER HA . 11383 1 2 . 1 1 8 8 SER HB2 H 1 3.862 0.030 . 2 . . . . 8 SER HB2 . 11383 1 3 . 1 1 8 8 SER CA C 13 58.411 0.300 . 1 . . . . 8 SER CA . 11383 1 4 . 1 1 8 8 SER CB C 13 63.814 0.300 . 1 . . . . 8 SER CB . 11383 1 5 . 1 1 9 9 GLY H H 1 8.441 0.030 . 1 . . . . 9 GLY H . 11383 1 6 . 1 1 9 9 GLY HA2 H 1 3.928 0.030 . 2 . . . . 9 GLY HA2 . 11383 1 7 . 1 1 9 9 GLY C C 13 173.968 0.300 . 1 . . . . 9 GLY C . 11383 1 8 . 1 1 9 9 GLY CA C 13 45.317 0.300 . 1 . . . . 9 GLY CA . 11383 1 9 . 1 1 9 9 GLY N N 15 110.815 0.300 . 1 . . . . 9 GLY N . 11383 1 10 . 1 1 10 10 GLU H H 1 8.182 0.030 . 1 . . . . 10 GLU H . 11383 1 11 . 1 1 10 10 GLU HA H 1 4.176 0.030 . 1 . . . . 10 GLU HA . 11383 1 12 . 1 1 10 10 GLU HB2 H 1 1.967 0.030 . 2 . . . . 10 GLU HB2 . 11383 1 13 . 1 1 10 10 GLU HB3 H 1 1.857 0.030 . 2 . . . . 10 GLU HB3 . 11383 1 14 . 1 1 10 10 GLU HG2 H 1 2.230 0.030 . 2 . . . . 10 GLU HG2 . 11383 1 15 . 1 1 10 10 GLU HG3 H 1 2.190 0.030 . 2 . . . . 10 GLU HG3 . 11383 1 16 . 1 1 10 10 GLU C C 13 176.094 0.300 . 1 . . . . 10 GLU C . 11383 1 17 . 1 1 10 10 GLU CA C 13 56.763 0.300 . 1 . . . . 10 GLU CA . 11383 1 18 . 1 1 10 10 GLU CB C 13 30.358 0.300 . 1 . . . . 10 GLU CB . 11383 1 19 . 1 1 10 10 GLU CG C 13 36.261 0.300 . 1 . . . . 10 GLU CG . 11383 1 20 . 1 1 10 10 GLU N N 15 120.354 0.300 . 1 . . . . 10 GLU N . 11383 1 21 . 1 1 11 11 LYS H H 1 8.148 0.030 . 1 . . . . 11 LYS H . 11383 1 22 . 1 1 11 11 LYS HA H 1 4.484 0.030 . 1 . . . . 11 LYS HA . 11383 1 23 . 1 1 11 11 LYS HB2 H 1 1.565 0.030 . 2 . . . . 11 LYS HB2 . 11383 1 24 . 1 1 11 11 LYS HB3 H 1 1.478 0.030 . 2 . . . . 11 LYS HB3 . 11383 1 25 . 1 1 11 11 LYS HD2 H 1 1.512 0.030 . 2 . . . . 11 LYS HD2 . 11383 1 26 . 1 1 11 11 LYS HE2 H 1 2.892 0.030 . 2 . . . . 11 LYS HE2 . 11383 1 27 . 1 1 11 11 LYS HG2 H 1 1.301 0.030 . 2 . . . . 11 LYS HG2 . 11383 1 28 . 1 1 11 11 LYS HG3 H 1 1.187 0.030 . 2 . . . . 11 LYS HG3 . 11383 1 29 . 1 1 11 11 LYS C C 13 173.902 0.300 . 1 . . . . 11 LYS C . 11383 1 30 . 1 1 11 11 LYS CA C 13 53.776 0.300 . 1 . . . . 11 LYS CA . 11383 1 31 . 1 1 11 11 LYS CB C 13 32.941 0.300 . 1 . . . . 11 LYS CB . 11383 1 32 . 1 1 11 11 LYS CD C 13 29.284 0.300 . 1 . . . . 11 LYS CD . 11383 1 33 . 1 1 11 11 LYS CE C 13 42.229 0.300 . 1 . . . . 11 LYS CE . 11383 1 34 . 1 1 11 11 LYS CG C 13 24.663 0.300 . 1 . . . . 11 LYS CG . 11383 1 35 . 1 1 11 11 LYS N N 15 121.744 0.300 . 1 . . . . 11 LYS N . 11383 1 36 . 1 1 12 12 PRO HA H 1 4.254 0.030 . 1 . . . . 12 PRO HA . 11383 1 37 . 1 1 12 12 PRO HB2 H 1 1.982 0.030 . 2 . . . . 12 PRO HB2 . 11383 1 38 . 1 1 12 12 PRO HB3 H 1 1.344 0.030 . 2 . . . . 12 PRO HB3 . 11383 1 39 . 1 1 12 12 PRO HD2 H 1 3.648 0.030 . 2 . . . . 12 PRO HD2 . 11383 1 40 . 1 1 12 12 PRO HD3 H 1 3.567 0.030 . 2 . . . . 12 PRO HD3 . 11383 1 41 . 1 1 12 12 PRO HG2 H 1 1.782 0.030 . 2 . . . . 12 PRO HG2 . 11383 1 42 . 1 1 12 12 PRO HG3 H 1 1.699 0.030 . 2 . . . . 12 PRO HG3 . 11383 1 43 . 1 1 12 12 PRO C C 13 176.113 0.300 . 1 . . . . 12 PRO C . 11383 1 44 . 1 1 12 12 PRO CA C 13 63.294 0.300 . 1 . . . . 12 PRO CA . 11383 1 45 . 1 1 12 12 PRO CB C 13 32.236 0.300 . 1 . . . . 12 PRO CB . 11383 1 46 . 1 1 12 12 PRO CD C 13 50.318 0.300 . 1 . . . . 12 PRO CD . 11383 1 47 . 1 1 12 12 PRO CG C 13 26.885 0.300 . 1 . . . . 12 PRO CG . 11383 1 48 . 1 1 13 13 TYR H H 1 7.992 0.030 . 1 . . . . 13 TYR H . 11383 1 49 . 1 1 13 13 TYR HA H 1 4.586 0.030 . 1 . . . . 13 TYR HA . 11383 1 50 . 1 1 13 13 TYR HB2 H 1 3.041 0.030 . 2 . . . . 13 TYR HB2 . 11383 1 51 . 1 1 13 13 TYR HB3 H 1 2.869 0.030 . 2 . . . . 13 TYR HB3 . 11383 1 52 . 1 1 13 13 TYR HD1 H 1 7.085 0.030 . 1 . . . . 13 TYR HD1 . 11383 1 53 . 1 1 13 13 TYR HD2 H 1 7.085 0.030 . 1 . . . . 13 TYR HD2 . 11383 1 54 . 1 1 13 13 TYR HE1 H 1 6.967 0.030 . 1 . . . . 13 TYR HE1 . 11383 1 55 . 1 1 13 13 TYR HE2 H 1 6.967 0.030 . 1 . . . . 13 TYR HE2 . 11383 1 56 . 1 1 13 13 TYR C C 13 174.681 0.300 . 1 . . . . 13 TYR C . 11383 1 57 . 1 1 13 13 TYR CA C 13 57.666 0.300 . 1 . . . . 13 TYR CA . 11383 1 58 . 1 1 13 13 TYR CB C 13 38.679 0.300 . 1 . . . . 13 TYR CB . 11383 1 59 . 1 1 13 13 TYR CD1 C 13 133.397 0.300 . 1 . . . . 13 TYR CD1 . 11383 1 60 . 1 1 13 13 TYR CD2 C 13 133.397 0.300 . 1 . . . . 13 TYR CD2 . 11383 1 61 . 1 1 13 13 TYR CE1 C 13 118.567 0.300 . 1 . . . . 13 TYR CE1 . 11383 1 62 . 1 1 13 13 TYR CE2 C 13 118.567 0.300 . 1 . . . . 13 TYR CE2 . 11383 1 63 . 1 1 13 13 TYR N N 15 118.648 0.300 . 1 . . . . 13 TYR N . 11383 1 64 . 1 1 14 14 GLU H H 1 8.555 0.030 . 1 . . . . 14 GLU H . 11383 1 65 . 1 1 14 14 GLU HA H 1 4.954 0.030 . 1 . . . . 14 GLU HA . 11383 1 66 . 1 1 14 14 GLU HB2 H 1 1.793 0.030 . 1 . . . . 14 GLU HB2 . 11383 1 67 . 1 1 14 14 GLU HB3 H 1 1.793 0.030 . 1 . . . . 14 GLU HB3 . 11383 1 68 . 1 1 14 14 GLU HG2 H 1 2.002 0.030 . 2 . . . . 14 GLU HG2 . 11383 1 69 . 1 1 14 14 GLU HG3 H 1 1.949 0.030 . 2 . . . . 14 GLU HG3 . 11383 1 70 . 1 1 14 14 GLU C C 13 174.978 0.300 . 1 . . . . 14 GLU C . 11383 1 71 . 1 1 14 14 GLU CA C 13 54.832 0.300 . 1 . . . . 14 GLU CA . 11383 1 72 . 1 1 14 14 GLU CB C 13 33.011 0.300 . 1 . . . . 14 GLU CB . 11383 1 73 . 1 1 14 14 GLU CG C 13 36.566 0.300 . 1 . . . . 14 GLU CG . 11383 1 74 . 1 1 14 14 GLU N N 15 123.675 0.300 . 1 . . . . 14 GLU N . 11383 1 75 . 1 1 15 15 CYS H H 1 9.153 0.030 . 1 . . . . 15 CYS H . 11383 1 76 . 1 1 15 15 CYS HA H 1 4.625 0.030 . 1 . . . . 15 CYS HA . 11383 1 77 . 1 1 15 15 CYS HB2 H 1 3.381 0.030 . 2 . . . . 15 CYS HB2 . 11383 1 78 . 1 1 15 15 CYS HB3 H 1 2.913 0.030 . 2 . . . . 15 CYS HB3 . 11383 1 79 . 1 1 15 15 CYS CA C 13 59.458 0.300 . 1 . . . . 15 CYS CA . 11383 1 80 . 1 1 15 15 CYS CB C 13 29.927 0.300 . 1 . . . . 15 CYS CB . 11383 1 81 . 1 1 15 15 CYS N N 15 126.161 0.300 . 1 . . . . 15 CYS N . 11383 1 82 . 1 1 16 16 ASN H H 1 9.540 0.030 . 1 . . . . 16 ASN H . 11383 1 83 . 1 1 16 16 ASN HA H 1 4.533 0.030 . 1 . . . . 16 ASN HA . 11383 1 84 . 1 1 16 16 ASN HB2 H 1 2.912 0.030 . 2 . . . . 16 ASN HB2 . 11383 1 85 . 1 1 16 16 ASN HB3 H 1 2.857 0.030 . 2 . . . . 16 ASN HB3 . 11383 1 86 . 1 1 16 16 ASN HD21 H 1 7.757 0.030 . 2 . . . . 16 ASN HD21 . 11383 1 87 . 1 1 16 16 ASN HD22 H 1 6.954 0.030 . 2 . . . . 16 ASN HD22 . 11383 1 88 . 1 1 16 16 ASN C C 13 175.251 0.300 . 1 . . . . 16 ASN C . 11383 1 89 . 1 1 16 16 ASN CA C 13 55.888 0.300 . 1 . . . . 16 ASN CA . 11383 1 90 . 1 1 16 16 ASN CB C 13 39.067 0.300 . 1 . . . . 16 ASN CB . 11383 1 91 . 1 1 16 16 ASN N N 15 130.867 0.300 . 1 . . . . 16 ASN N . 11383 1 92 . 1 1 16 16 ASN ND2 N 15 113.458 0.300 . 1 . . . . 16 ASN ND2 . 11383 1 93 . 1 1 17 17 GLU H H 1 8.830 0.030 . 1 . . . . 17 GLU H . 11383 1 94 . 1 1 17 17 GLU HA H 1 4.249 0.030 . 1 . . . . 17 GLU HA . 11383 1 95 . 1 1 17 17 GLU HB2 H 1 1.423 0.030 . 2 . . . . 17 GLU HB2 . 11383 1 96 . 1 1 17 17 GLU HB3 H 1 1.344 0.030 . 2 . . . . 17 GLU HB3 . 11383 1 97 . 1 1 17 17 GLU HG2 H 1 1.839 0.030 . 2 . . . . 17 GLU HG2 . 11383 1 98 . 1 1 17 17 GLU HG3 H 1 1.731 0.030 . 2 . . . . 17 GLU HG3 . 11383 1 99 . 1 1 17 17 GLU CA C 13 58.110 0.300 . 1 . . . . 17 GLU CA . 11383 1 100 . 1 1 17 17 GLU CB C 13 29.830 0.300 . 1 . . . . 17 GLU CB . 11383 1 101 . 1 1 17 17 GLU CG C 13 35.233 0.300 . 1 . . . . 17 GLU CG . 11383 1 102 . 1 1 17 17 GLU N N 15 120.576 0.300 . 1 . . . . 17 GLU N . 11383 1 103 . 1 1 18 18 CYS H H 1 8.101 0.030 . 1 . . . . 18 CYS H . 11383 1 104 . 1 1 18 18 CYS HA H 1 5.165 0.030 . 1 . . . . 18 CYS HA . 11383 1 105 . 1 1 18 18 CYS HB2 H 1 3.430 0.030 . 2 . . . . 18 CYS HB2 . 11383 1 106 . 1 1 18 18 CYS HB3 H 1 2.809 0.030 . 2 . . . . 18 CYS HB3 . 11383 1 107 . 1 1 18 18 CYS C C 13 177.227 0.300 . 1 . . . . 18 CYS C . 11383 1 108 . 1 1 18 18 CYS CA C 13 58.416 0.300 . 1 . . . . 18 CYS CA . 11383 1 109 . 1 1 18 18 CYS CB C 13 32.659 0.300 . 1 . . . . 18 CYS CB . 11383 1 110 . 1 1 18 18 CYS N N 15 115.298 0.300 . 1 . . . . 18 CYS N . 11383 1 111 . 1 1 19 19 GLY H H 1 8.087 0.030 . 1 . . . . 19 GLY H . 11383 1 112 . 1 1 19 19 GLY HA2 H 1 3.887 0.030 . 2 . . . . 19 GLY HA2 . 11383 1 113 . 1 1 19 19 GLY HA3 H 1 4.194 0.030 . 2 . . . . 19 GLY HA3 . 11383 1 114 . 1 1 19 19 GLY C C 13 173.585 0.300 . 1 . . . . 19 GLY C . 11383 1 115 . 1 1 19 19 GLY CA C 13 46.220 0.300 . 1 . . . . 19 GLY CA . 11383 1 116 . 1 1 19 19 GLY N N 15 113.271 0.300 . 1 . . . . 19 GLY N . 11383 1 117 . 1 1 20 20 LYS H H 1 7.970 0.030 . 1 . . . . 20 LYS H . 11383 1 118 . 1 1 20 20 LYS HA H 1 3.904 0.030 . 1 . . . . 20 LYS HA . 11383 1 119 . 1 1 20 20 LYS HB2 H 1 1.423 0.030 . 2 . . . . 20 LYS HB2 . 11383 1 120 . 1 1 20 20 LYS HB3 H 1 1.172 0.030 . 2 . . . . 20 LYS HB3 . 11383 1 121 . 1 1 20 20 LYS HD2 H 1 1.471 0.030 . 2 . . . . 20 LYS HD2 . 11383 1 122 . 1 1 20 20 LYS HD3 H 1 1.395 0.030 . 2 . . . . 20 LYS HD3 . 11383 1 123 . 1 1 20 20 LYS HE2 H 1 2.955 0.030 . 1 . . . . 20 LYS HE2 . 11383 1 124 . 1 1 20 20 LYS HE3 H 1 2.955 0.030 . 1 . . . . 20 LYS HE3 . 11383 1 125 . 1 1 20 20 LYS HG2 H 1 1.026 0.030 . 2 . . . . 20 LYS HG2 . 11383 1 126 . 1 1 20 20 LYS HG3 H 1 1.355 0.030 . 2 . . . . 20 LYS HG3 . 11383 1 127 . 1 1 20 20 LYS C C 13 173.741 0.300 . 1 . . . . 20 LYS C . 11383 1 128 . 1 1 20 20 LYS CA C 13 58.291 0.300 . 1 . . . . 20 LYS CA . 11383 1 129 . 1 1 20 20 LYS CB C 13 33.622 0.300 . 1 . . . . 20 LYS CB . 11383 1 130 . 1 1 20 20 LYS CD C 13 29.260 0.300 . 1 . . . . 20 LYS CD . 11383 1 131 . 1 1 20 20 LYS CE C 13 42.192 0.300 . 1 . . . . 20 LYS CE . 11383 1 132 . 1 1 20 20 LYS CG C 13 26.066 0.300 . 1 . . . . 20 LYS CG . 11383 1 133 . 1 1 20 20 LYS N N 15 123.162 0.300 . 1 . . . . 20 LYS N . 11383 1 134 . 1 1 21 21 ALA H H 1 7.738 0.030 . 1 . . . . 21 ALA H . 11383 1 135 . 1 1 21 21 ALA HA H 1 5.177 0.030 . 1 . . . . 21 ALA HA . 11383 1 136 . 1 1 21 21 ALA HB1 H 1 1.177 0.030 . 1 . . . . 21 ALA HB . 11383 1 137 . 1 1 21 21 ALA HB2 H 1 1.177 0.030 . 1 . . . . 21 ALA HB . 11383 1 138 . 1 1 21 21 ALA HB3 H 1 1.177 0.030 . 1 . . . . 21 ALA HB . 11383 1 139 . 1 1 21 21 ALA C C 13 176.572 0.300 . 1 . . . . 21 ALA C . 11383 1 140 . 1 1 21 21 ALA CA C 13 50.387 0.300 . 1 . . . . 21 ALA CA . 11383 1 141 . 1 1 21 21 ALA CB C 13 22.246 0.300 . 1 . . . . 21 ALA CB . 11383 1 142 . 1 1 21 21 ALA N N 15 124.208 0.300 . 1 . . . . 21 ALA N . 11383 1 143 . 1 1 22 22 PHE H H 1 8.752 0.030 . 1 . . . . 22 PHE H . 11383 1 144 . 1 1 22 22 PHE HA H 1 4.705 0.030 . 1 . . . . 22 PHE HA . 11383 1 145 . 1 1 22 22 PHE HB2 H 1 3.211 0.030 . 2 . . . . 22 PHE HB2 . 11383 1 146 . 1 1 22 22 PHE HB3 H 1 2.686 0.030 . 2 . . . . 22 PHE HB3 . 11383 1 147 . 1 1 22 22 PHE HD1 H 1 7.206 0.030 . 1 . . . . 22 PHE HD1 . 11383 1 148 . 1 1 22 22 PHE HD2 H 1 7.206 0.030 . 1 . . . . 22 PHE HD2 . 11383 1 149 . 1 1 22 22 PHE HE1 H 1 6.857 0.030 . 1 . . . . 22 PHE HE1 . 11383 1 150 . 1 1 22 22 PHE HE2 H 1 6.857 0.030 . 1 . . . . 22 PHE HE2 . 11383 1 151 . 1 1 22 22 PHE HZ H 1 6.296 0.030 . 1 . . . . 22 PHE HZ . 11383 1 152 . 1 1 22 22 PHE C C 13 175.826 0.300 . 1 . . . . 22 PHE C . 11383 1 153 . 1 1 22 22 PHE CA C 13 56.858 0.300 . 1 . . . . 22 PHE CA . 11383 1 154 . 1 1 22 22 PHE CB C 13 44.539 0.300 . 1 . . . . 22 PHE CB . 11383 1 155 . 1 1 22 22 PHE CD1 C 13 132.554 0.300 . 1 . . . . 22 PHE CD1 . 11383 1 156 . 1 1 22 22 PHE CD2 C 13 132.554 0.300 . 1 . . . . 22 PHE CD2 . 11383 1 157 . 1 1 22 22 PHE CE1 C 13 130.585 0.300 . 1 . . . . 22 PHE CE1 . 11383 1 158 . 1 1 22 22 PHE CE2 C 13 130.585 0.300 . 1 . . . . 22 PHE CE2 . 11383 1 159 . 1 1 22 22 PHE CZ C 13 128.683 0.300 . 1 . . . . 22 PHE CZ . 11383 1 160 . 1 1 22 22 PHE N N 15 116.981 0.300 . 1 . . . . 22 PHE N . 11383 1 161 . 1 1 23 23 ILE H H 1 8.844 0.030 . 1 . . . . 23 ILE H . 11383 1 162 . 1 1 23 23 ILE HA H 1 4.105 0.030 . 1 . . . . 23 ILE HA . 11383 1 163 . 1 1 23 23 ILE HB H 1 1.486 0.030 . 1 . . . . 23 ILE HB . 11383 1 164 . 1 1 23 23 ILE HD11 H 1 0.585 0.030 . 1 . . . . 23 ILE HD1 . 11383 1 165 . 1 1 23 23 ILE HD12 H 1 0.585 0.030 . 1 . . . . 23 ILE HD1 . 11383 1 166 . 1 1 23 23 ILE HD13 H 1 0.585 0.030 . 1 . . . . 23 ILE HD1 . 11383 1 167 . 1 1 23 23 ILE HG12 H 1 1.044 0.030 . 2 . . . . 23 ILE HG12 . 11383 1 168 . 1 1 23 23 ILE HG13 H 1 0.907 0.030 . 2 . . . . 23 ILE HG13 . 11383 1 169 . 1 1 23 23 ILE HG21 H 1 0.342 0.030 . 1 . . . . 23 ILE HG2 . 11383 1 170 . 1 1 23 23 ILE HG22 H 1 0.342 0.030 . 1 . . . . 23 ILE HG2 . 11383 1 171 . 1 1 23 23 ILE HG23 H 1 0.342 0.030 . 1 . . . . 23 ILE HG2 . 11383 1 172 . 1 1 23 23 ILE CA C 13 63.250 0.300 . 1 . . . . 23 ILE CA . 11383 1 173 . 1 1 23 23 ILE CB C 13 38.761 0.300 . 1 . . . . 23 ILE CB . 11383 1 174 . 1 1 23 23 ILE CD1 C 13 13.356 0.300 . 1 . . . . 23 ILE CD1 . 11383 1 175 . 1 1 23 23 ILE CG1 C 13 27.357 0.300 . 1 . . . . 23 ILE CG1 . 11383 1 176 . 1 1 23 23 ILE CG2 C 13 16.704 0.300 . 1 . . . . 23 ILE CG2 . 11383 1 177 . 1 1 23 23 ILE N N 15 118.046 0.300 . 1 . . . . 23 ILE N . 11383 1 178 . 1 1 24 24 TRP H H 1 6.678 0.030 . 1 . . . . 24 TRP H . 11383 1 179 . 1 1 24 24 TRP HA H 1 5.389 0.030 . 1 . . . . 24 TRP HA . 11383 1 180 . 1 1 24 24 TRP HB2 H 1 3.526 0.030 . 2 . . . . 24 TRP HB2 . 11383 1 181 . 1 1 24 24 TRP HB3 H 1 2.939 0.030 . 2 . . . . 24 TRP HB3 . 11383 1 182 . 1 1 24 24 TRP HD1 H 1 7.376 0.030 . 1 . . . . 24 TRP HD1 . 11383 1 183 . 1 1 24 24 TRP HE1 H 1 10.309 0.030 . 1 . . . . 24 TRP HE1 . 11383 1 184 . 1 1 24 24 TRP HE3 H 1 7.660 0.030 . 1 . . . . 24 TRP HE3 . 11383 1 185 . 1 1 24 24 TRP HH2 H 1 7.276 0.030 . 1 . . . . 24 TRP HH2 . 11383 1 186 . 1 1 24 24 TRP HZ2 H 1 7.531 0.030 . 1 . . . . 24 TRP HZ2 . 11383 1 187 . 1 1 24 24 TRP HZ3 H 1 7.219 0.030 . 1 . . . . 24 TRP HZ3 . 11383 1 188 . 1 1 24 24 TRP C C 13 176.541 0.300 . 1 . . . . 24 TRP C . 11383 1 189 . 1 1 24 24 TRP CA C 13 53.888 0.300 . 1 . . . . 24 TRP CA . 11383 1 190 . 1 1 24 24 TRP CB C 13 33.038 0.300 . 1 . . . . 24 TRP CB . 11383 1 191 . 1 1 24 24 TRP CD1 C 13 126.991 0.300 . 1 . . . . 24 TRP CD1 . 11383 1 192 . 1 1 24 24 TRP CE3 C 13 120.824 0.300 . 1 . . . . 24 TRP CE3 . 11383 1 193 . 1 1 24 24 TRP CH2 C 13 124.759 0.300 . 1 . . . . 24 TRP CH2 . 11383 1 194 . 1 1 24 24 TRP CZ2 C 13 114.740 0.300 . 1 . . . . 24 TRP CZ2 . 11383 1 195 . 1 1 24 24 TRP CZ3 C 13 121.950 0.300 . 1 . . . . 24 TRP CZ3 . 11383 1 196 . 1 1 24 24 TRP N N 15 114.873 0.300 . 1 . . . . 24 TRP N . 11383 1 197 . 1 1 24 24 TRP NE1 N 15 129.511 0.300 . 1 . . . . 24 TRP NE1 . 11383 1 198 . 1 1 25 25 LYS H H 1 8.666 0.030 . 1 . . . . 25 LYS H . 11383 1 199 . 1 1 25 25 LYS HA H 1 3.139 0.030 . 1 . . . . 25 LYS HA . 11383 1 200 . 1 1 25 25 LYS HB2 H 1 1.534 0.030 . 2 . . . . 25 LYS HB2 . 11383 1 201 . 1 1 25 25 LYS HB3 H 1 1.021 0.030 . 2 . . . . 25 LYS HB3 . 11383 1 202 . 1 1 25 25 LYS HD2 H 1 1.590 0.030 . 2 . . . . 25 LYS HD2 . 11383 1 203 . 1 1 25 25 LYS HD3 H 1 1.523 0.030 . 2 . . . . 25 LYS HD3 . 11383 1 204 . 1 1 25 25 LYS HE2 H 1 2.889 0.030 . 1 . . . . 25 LYS HE2 . 11383 1 205 . 1 1 25 25 LYS HE3 H 1 2.889 0.030 . 1 . . . . 25 LYS HE3 . 11383 1 206 . 1 1 25 25 LYS HG2 H 1 1.256 0.030 . 2 . . . . 25 LYS HG2 . 11383 1 207 . 1 1 25 25 LYS HG3 H 1 1.021 0.030 . 2 . . . . 25 LYS HG3 . 11383 1 208 . 1 1 25 25 LYS CA C 13 59.194 0.300 . 1 . . . . 25 LYS CA . 11383 1 209 . 1 1 25 25 LYS CB C 13 31.677 0.300 . 1 . . . . 25 LYS CB . 11383 1 210 . 1 1 25 25 LYS CD C 13 29.163 0.300 . 1 . . . . 25 LYS CD . 11383 1 211 . 1 1 25 25 LYS CE C 13 42.072 0.300 . 1 . . . . 25 LYS CE . 11383 1 212 . 1 1 25 25 LYS CG C 13 24.968 0.300 . 1 . . . . 25 LYS CG . 11383 1 213 . 1 1 25 25 LYS N N 15 127.574 0.300 . 1 . . . . 25 LYS N . 11383 1 214 . 1 1 26 26 SER H H 1 8.536 0.030 . 1 . . . . 26 SER H . 11383 1 215 . 1 1 26 26 SER HA H 1 3.923 0.030 . 1 . . . . 26 SER HA . 11383 1 216 . 1 1 26 26 SER HB2 H 1 3.856 0.030 . 2 . . . . 26 SER HB2 . 11383 1 217 . 1 1 26 26 SER HB3 H 1 3.813 0.030 . 2 . . . . 26 SER HB3 . 11383 1 218 . 1 1 26 26 SER C C 13 176.813 0.300 . 1 . . . . 26 SER C . 11383 1 219 . 1 1 26 26 SER CA C 13 60.958 0.300 . 1 . . . . 26 SER CA . 11383 1 220 . 1 1 26 26 SER CB C 13 61.319 0.300 . 1 . . . . 26 SER CB . 11383 1 221 . 1 1 26 26 SER N N 15 112.270 0.300 . 1 . . . . 26 SER N . 11383 1 222 . 1 1 27 27 LEU H H 1 6.803 0.030 . 1 . . . . 27 LEU H . 11383 1 223 . 1 1 27 27 LEU HA H 1 4.102 0.030 . 1 . . . . 27 LEU HA . 11383 1 224 . 1 1 27 27 LEU HB2 H 1 2.048 0.030 . 2 . . . . 27 LEU HB2 . 11383 1 225 . 1 1 27 27 LEU HB3 H 1 1.568 0.030 . 2 . . . . 27 LEU HB3 . 11383 1 226 . 1 1 27 27 LEU HD11 H 1 1.215 0.030 . 1 . . . . 27 LEU HD1 . 11383 1 227 . 1 1 27 27 LEU HD12 H 1 1.215 0.030 . 1 . . . . 27 LEU HD1 . 11383 1 228 . 1 1 27 27 LEU HD13 H 1 1.215 0.030 . 1 . . . . 27 LEU HD1 . 11383 1 229 . 1 1 27 27 LEU HD21 H 1 0.998 0.030 . 1 . . . . 27 LEU HD2 . 11383 1 230 . 1 1 27 27 LEU HD22 H 1 0.998 0.030 . 1 . . . . 27 LEU HD2 . 11383 1 231 . 1 1 27 27 LEU HD23 H 1 0.998 0.030 . 1 . . . . 27 LEU HD2 . 11383 1 232 . 1 1 27 27 LEU HG H 1 1.919 0.030 . 1 . . . . 27 LEU HG . 11383 1 233 . 1 1 27 27 LEU C C 13 179.174 0.300 . 1 . . . . 27 LEU C . 11383 1 234 . 1 1 27 27 LEU CA C 13 56.568 0.300 . 1 . . . . 27 LEU CA . 11383 1 235 . 1 1 27 27 LEU CB C 13 42.067 0.300 . 1 . . . . 27 LEU CB . 11383 1 236 . 1 1 27 27 LEU CD1 C 13 26.607 0.300 . 2 . . . . 27 LEU CD1 . 11383 1 237 . 1 1 27 27 LEU CD2 C 13 22.218 0.300 . 2 . . . . 27 LEU CD2 . 11383 1 238 . 1 1 27 27 LEU CG C 13 27.357 0.300 . 1 . . . . 27 LEU CG . 11383 1 239 . 1 1 27 27 LEU N N 15 120.209 0.300 . 1 . . . . 27 LEU N . 11383 1 240 . 1 1 28 28 LEU H H 1 7.022 0.030 . 1 . . . . 28 LEU H . 11383 1 241 . 1 1 28 28 LEU HA H 1 3.244 0.030 . 1 . . . . 28 LEU HA . 11383 1 242 . 1 1 28 28 LEU HB2 H 1 2.067 0.030 . 2 . . . . 28 LEU HB2 . 11383 1 243 . 1 1 28 28 LEU HB3 H 1 1.243 0.030 . 2 . . . . 28 LEU HB3 . 11383 1 244 . 1 1 28 28 LEU HD11 H 1 0.976 0.030 . 1 . . . . 28 LEU HD1 . 11383 1 245 . 1 1 28 28 LEU HD12 H 1 0.976 0.030 . 1 . . . . 28 LEU HD1 . 11383 1 246 . 1 1 28 28 LEU HD13 H 1 0.976 0.030 . 1 . . . . 28 LEU HD1 . 11383 1 247 . 1 1 28 28 LEU HD21 H 1 1.031 0.030 . 1 . . . . 28 LEU HD2 . 11383 1 248 . 1 1 28 28 LEU HD22 H 1 1.031 0.030 . 1 . . . . 28 LEU HD2 . 11383 1 249 . 1 1 28 28 LEU HD23 H 1 1.031 0.030 . 1 . . . . 28 LEU HD2 . 11383 1 250 . 1 1 28 28 LEU HG H 1 1.578 0.030 . 1 . . . . 28 LEU HG . 11383 1 251 . 1 1 28 28 LEU C C 13 177.447 0.300 . 1 . . . . 28 LEU C . 11383 1 252 . 1 1 28 28 LEU CA C 13 57.805 0.300 . 1 . . . . 28 LEU CA . 11383 1 253 . 1 1 28 28 LEU CB C 13 40.345 0.300 . 1 . . . . 28 LEU CB . 11383 1 254 . 1 1 28 28 LEU CD1 C 13 26.764 0.300 . 2 . . . . 28 LEU CD1 . 11383 1 255 . 1 1 28 28 LEU CD2 C 13 22.843 0.300 . 2 . . . . 28 LEU CD2 . 11383 1 256 . 1 1 28 28 LEU CG C 13 27.371 0.300 . 1 . . . . 28 LEU CG . 11383 1 257 . 1 1 28 28 LEU N N 15 122.646 0.300 . 1 . . . . 28 LEU N . 11383 1 258 . 1 1 29 29 ILE H H 1 8.031 0.030 . 1 . . . . 29 ILE H . 11383 1 259 . 1 1 29 29 ILE HA H 1 3.752 0.030 . 1 . . . . 29 ILE HA . 11383 1 260 . 1 1 29 29 ILE HB H 1 1.790 0.030 . 1 . . . . 29 ILE HB . 11383 1 261 . 1 1 29 29 ILE HD11 H 1 0.765 0.030 . 1 . . . . 29 ILE HD1 . 11383 1 262 . 1 1 29 29 ILE HD12 H 1 0.765 0.030 . 1 . . . . 29 ILE HD1 . 11383 1 263 . 1 1 29 29 ILE HD13 H 1 0.765 0.030 . 1 . . . . 29 ILE HD1 . 11383 1 264 . 1 1 29 29 ILE HG12 H 1 1.537 0.030 . 2 . . . . 29 ILE HG12 . 11383 1 265 . 1 1 29 29 ILE HG13 H 1 1.193 0.030 . 2 . . . . 29 ILE HG13 . 11383 1 266 . 1 1 29 29 ILE HG21 H 1 0.865 0.030 . 1 . . . . 29 ILE HG2 . 11383 1 267 . 1 1 29 29 ILE HG22 H 1 0.865 0.030 . 1 . . . . 29 ILE HG2 . 11383 1 268 . 1 1 29 29 ILE HG23 H 1 0.865 0.030 . 1 . . . . 29 ILE HG2 . 11383 1 269 . 1 1 29 29 ILE C C 13 178.937 0.300 . 1 . . . . 29 ILE C . 11383 1 270 . 1 1 29 29 ILE CA C 13 64.819 0.300 . 1 . . . . 29 ILE CA . 11383 1 271 . 1 1 29 29 ILE CB C 13 37.775 0.300 . 1 . . . . 29 ILE CB . 11383 1 272 . 1 1 29 29 ILE CD1 C 13 13.036 0.300 . 1 . . . . 29 ILE CD1 . 11383 1 273 . 1 1 29 29 ILE CG1 C 13 28.802 0.300 . 1 . . . . 29 ILE CG1 . 11383 1 274 . 1 1 29 29 ILE CG2 C 13 17.051 0.300 . 1 . . . . 29 ILE CG2 . 11383 1 275 . 1 1 29 29 ILE N N 15 118.866 0.300 . 1 . . . . 29 ILE N . 11383 1 276 . 1 1 30 30 VAL H H 1 7.017 0.030 . 1 . . . . 30 VAL H . 11383 1 277 . 1 1 30 30 VAL HA H 1 3.551 0.030 . 1 . . . . 30 VAL HA . 11383 1 278 . 1 1 30 30 VAL HB H 1 1.932 0.030 . 1 . . . . 30 VAL HB . 11383 1 279 . 1 1 30 30 VAL HG11 H 1 1.063 0.030 . 1 . . . . 30 VAL HG1 . 11383 1 280 . 1 1 30 30 VAL HG12 H 1 1.063 0.030 . 1 . . . . 30 VAL HG1 . 11383 1 281 . 1 1 30 30 VAL HG13 H 1 1.063 0.030 . 1 . . . . 30 VAL HG1 . 11383 1 282 . 1 1 30 30 VAL HG21 H 1 0.933 0.030 . 1 . . . . 30 VAL HG2 . 11383 1 283 . 1 1 30 30 VAL HG22 H 1 0.933 0.030 . 1 . . . . 30 VAL HG2 . 11383 1 284 . 1 1 30 30 VAL HG23 H 1 0.933 0.030 . 1 . . . . 30 VAL HG2 . 11383 1 285 . 1 1 30 30 VAL C C 13 178.717 0.300 . 1 . . . . 30 VAL C . 11383 1 286 . 1 1 30 30 VAL CA C 13 66.444 0.300 . 1 . . . . 30 VAL CA . 11383 1 287 . 1 1 30 30 VAL CB C 13 32.136 0.300 . 1 . . . . 30 VAL CB . 11383 1 288 . 1 1 30 30 VAL CG1 C 13 22.412 0.300 . 2 . . . . 30 VAL CG1 . 11383 1 289 . 1 1 30 30 VAL CG2 C 13 21.273 0.300 . 2 . . . . 30 VAL CG2 . 11383 1 290 . 1 1 30 30 VAL N N 15 117.766 0.300 . 1 . . . . 30 VAL N . 11383 1 291 . 1 1 31 31 HIS H H 1 7.573 0.030 . 1 . . . . 31 HIS H . 11383 1 292 . 1 1 31 31 HIS HA H 1 4.229 0.030 . 1 . . . . 31 HIS HA . 11383 1 293 . 1 1 31 31 HIS HB2 H 1 2.909 0.030 . 2 . . . . 31 HIS HB2 . 11383 1 294 . 1 1 31 31 HIS HB3 H 1 3.136 0.030 . 2 . . . . 31 HIS HB3 . 11383 1 295 . 1 1 31 31 HIS HD2 H 1 7.007 0.030 . 1 . . . . 31 HIS HD2 . 11383 1 296 . 1 1 31 31 HIS HE1 H 1 7.973 0.030 . 1 . . . . 31 HIS HE1 . 11383 1 297 . 1 1 31 31 HIS C C 13 178.317 0.300 . 1 . . . . 31 HIS C . 11383 1 298 . 1 1 31 31 HIS CA C 13 59.527 0.300 . 1 . . . . 31 HIS CA . 11383 1 299 . 1 1 31 31 HIS CB C 13 28.552 0.300 . 1 . . . . 31 HIS CB . 11383 1 300 . 1 1 31 31 HIS CD2 C 13 127.537 0.300 . 1 . . . . 31 HIS CD2 . 11383 1 301 . 1 1 31 31 HIS CE1 C 13 139.520 0.300 . 1 . . . . 31 HIS CE1 . 11383 1 302 . 1 1 31 31 HIS N N 15 119.721 0.300 . 1 . . . . 31 HIS N . 11383 1 303 . 1 1 32 32 GLU H H 1 9.177 0.030 . 1 . . . . 32 GLU H . 11383 1 304 . 1 1 32 32 GLU HA H 1 3.752 0.030 . 1 . . . . 32 GLU HA . 11383 1 305 . 1 1 32 32 GLU HB2 H 1 2.282 0.030 . 2 . . . . 32 GLU HB2 . 11383 1 306 . 1 1 32 32 GLU HB3 H 1 2.126 0.030 . 2 . . . . 32 GLU HB3 . 11383 1 307 . 1 1 32 32 GLU HG2 H 1 2.752 0.030 . 2 . . . . 32 GLU HG2 . 11383 1 308 . 1 1 32 32 GLU HG3 H 1 2.633 0.030 . 2 . . . . 32 GLU HG3 . 11383 1 309 . 1 1 32 32 GLU C C 13 178.837 0.300 . 1 . . . . 32 GLU C . 11383 1 310 . 1 1 32 32 GLU CA C 13 60.543 0.300 . 1 . . . . 32 GLU CA . 11383 1 311 . 1 1 32 32 GLU CB C 13 29.760 0.300 . 1 . . . . 32 GLU CB . 11383 1 312 . 1 1 32 32 GLU CG C 13 37.872 0.300 . 1 . . . . 32 GLU CG . 11383 1 313 . 1 1 32 32 GLU N N 15 121.502 0.300 . 1 . . . . 32 GLU N . 11383 1 314 . 1 1 33 33 ARG H H 1 7.248 0.030 . 1 . . . . 33 ARG H . 11383 1 315 . 1 1 33 33 ARG HA H 1 4.139 0.030 . 1 . . . . 33 ARG HA . 11383 1 316 . 1 1 33 33 ARG HB2 H 1 1.970 0.030 . 2 . . . . 33 ARG HB2 . 11383 1 317 . 1 1 33 33 ARG HB3 H 1 1.889 0.030 . 2 . . . . 33 ARG HB3 . 11383 1 318 . 1 1 33 33 ARG HD2 H 1 3.197 0.030 . 1 . . . . 33 ARG HD2 . 11383 1 319 . 1 1 33 33 ARG HD3 H 1 3.197 0.030 . 1 . . . . 33 ARG HD3 . 11383 1 320 . 1 1 33 33 ARG HG2 H 1 1.728 0.030 . 2 . . . . 33 ARG HG2 . 11383 1 321 . 1 1 33 33 ARG HG3 H 1 1.909 0.030 . 2 . . . . 33 ARG HG3 . 11383 1 322 . 1 1 33 33 ARG CA C 13 58.513 0.300 . 1 . . . . 33 ARG CA . 11383 1 323 . 1 1 33 33 ARG CB C 13 29.996 0.300 . 1 . . . . 33 ARG CB . 11383 1 324 . 1 1 33 33 ARG CD C 13 43.734 0.300 . 1 . . . . 33 ARG CD . 11383 1 325 . 1 1 33 33 ARG CG C 13 27.593 0.300 . 1 . . . . 33 ARG CG . 11383 1 326 . 1 1 33 33 ARG N N 15 117.046 0.300 . 1 . . . . 33 ARG N . 11383 1 327 . 1 1 34 34 THR H H 1 7.821 0.030 . 1 . . . . 34 THR H . 11383 1 328 . 1 1 34 34 THR HA H 1 4.114 0.030 . 1 . . . . 34 THR HA . 11383 1 329 . 1 1 34 34 THR HB H 1 4.018 0.030 . 1 . . . . 34 THR HB . 11383 1 330 . 1 1 34 34 THR HG21 H 1 1.181 0.030 . 1 . . . . 34 THR HG2 . 11383 1 331 . 1 1 34 34 THR HG22 H 1 1.181 0.030 . 1 . . . . 34 THR HG2 . 11383 1 332 . 1 1 34 34 THR HG23 H 1 1.181 0.030 . 1 . . . . 34 THR HG2 . 11383 1 333 . 1 1 34 34 THR C C 13 175.695 0.300 . 1 . . . . 34 THR C . 11383 1 334 . 1 1 34 34 THR CA C 13 64.027 0.300 . 1 . . . . 34 THR CA . 11383 1 335 . 1 1 34 34 THR CB C 13 69.347 0.300 . 1 . . . . 34 THR CB . 11383 1 336 . 1 1 34 34 THR CG2 C 13 21.037 0.300 . 1 . . . . 34 THR CG2 . 11383 1 337 . 1 1 34 34 THR N N 15 109.934 0.300 . 1 . . . . 34 THR N . 11383 1 338 . 1 1 35 35 HIS H H 1 7.082 0.030 . 1 . . . . 35 HIS H . 11383 1 339 . 1 1 35 35 HIS HA H 1 4.749 0.030 . 1 . . . . 35 HIS HA . 11383 1 340 . 1 1 35 35 HIS HB2 H 1 3.310 0.030 . 2 . . . . 35 HIS HB2 . 11383 1 341 . 1 1 35 35 HIS HB3 H 1 3.138 0.030 . 2 . . . . 35 HIS HB3 . 11383 1 342 . 1 1 35 35 HIS HD2 H 1 6.690 0.030 . 1 . . . . 35 HIS HD2 . 11383 1 343 . 1 1 35 35 HIS HE1 H 1 8.004 0.030 . 1 . . . . 35 HIS HE1 . 11383 1 344 . 1 1 35 35 HIS C C 13 174.781 0.300 . 1 . . . . 35 HIS C . 11383 1 345 . 1 1 35 35 HIS CA C 13 55.263 0.300 . 1 . . . . 35 HIS CA . 11383 1 346 . 1 1 35 35 HIS CB C 13 28.691 0.300 . 1 . . . . 35 HIS CB . 11383 1 347 . 1 1 35 35 HIS CD2 C 13 127.339 0.300 . 1 . . . . 35 HIS CD2 . 11383 1 348 . 1 1 35 35 HIS CE1 C 13 139.859 0.300 . 1 . . . . 35 HIS CE1 . 11383 1 349 . 1 1 35 35 HIS N N 15 118.517 0.300 . 1 . . . . 35 HIS N . 11383 1 350 . 1 1 36 36 ALA H H 1 7.656 0.030 . 1 . . . . 36 ALA H . 11383 1 351 . 1 1 36 36 ALA HA H 1 4.357 0.030 . 1 . . . . 36 ALA HA . 11383 1 352 . 1 1 36 36 ALA HB1 H 1 1.452 0.030 . 1 . . . . 36 ALA HB . 11383 1 353 . 1 1 36 36 ALA HB2 H 1 1.452 0.030 . 1 . . . . 36 ALA HB . 11383 1 354 . 1 1 36 36 ALA HB3 H 1 1.452 0.030 . 1 . . . . 36 ALA HB . 11383 1 355 . 1 1 36 36 ALA CA C 13 52.901 0.300 . 1 . . . . 36 ALA CA . 11383 1 356 . 1 1 36 36 ALA CB C 13 19.383 0.300 . 1 . . . . 36 ALA CB . 11383 1 357 . 1 1 36 36 ALA N N 15 122.991 0.300 . 1 . . . . 36 ALA N . 11383 1 358 . 1 1 37 37 GLY H H 1 8.255 0.030 . 1 . . . . 37 GLY H . 11383 1 359 . 1 1 37 37 GLY HA2 H 1 3.972 0.030 . 2 . . . . 37 GLY HA2 . 11383 1 360 . 1 1 37 37 GLY C C 13 174.191 0.300 . 1 . . . . 37 GLY C . 11383 1 361 . 1 1 37 37 GLY CA C 13 45.401 0.300 . 1 . . . . 37 GLY CA . 11383 1 362 . 1 1 37 37 GLY N N 15 107.927 0.300 . 1 . . . . 37 GLY N . 11383 1 363 . 1 1 38 38 VAL H H 1 7.953 0.030 . 1 . . . . 38 VAL H . 11383 1 364 . 1 1 38 38 VAL HA H 1 4.197 0.030 . 1 . . . . 38 VAL HA . 11383 1 365 . 1 1 38 38 VAL HB H 1 2.116 0.030 . 1 . . . . 38 VAL HB . 11383 1 366 . 1 1 38 38 VAL HG11 H 1 0.918 0.030 . 1 . . . . 38 VAL HG1 . 11383 1 367 . 1 1 38 38 VAL HG12 H 1 0.918 0.030 . 1 . . . . 38 VAL HG1 . 11383 1 368 . 1 1 38 38 VAL HG13 H 1 0.918 0.030 . 1 . . . . 38 VAL HG1 . 11383 1 369 . 1 1 38 38 VAL C C 13 176.319 0.300 . 1 . . . . 38 VAL C . 11383 1 370 . 1 1 38 38 VAL CA C 13 62.249 0.300 . 1 . . . . 38 VAL CA . 11383 1 371 . 1 1 38 38 VAL CB C 13 32.858 0.300 . 1 . . . . 38 VAL CB . 11383 1 372 . 1 1 38 38 VAL CG1 C 13 20.329 0.300 . 2 . . . . 38 VAL CG1 . 11383 1 373 . 1 1 38 38 VAL N N 15 118.844 0.300 . 1 . . . . 38 VAL N . 11383 1 374 . 1 1 39 39 SER H H 1 8.415 0.030 . 1 . . . . 39 SER H . 11383 1 375 . 1 1 39 39 SER HA H 1 4.502 0.030 . 1 . . . . 39 SER HA . 11383 1 376 . 1 1 39 39 SER HB2 H 1 3.850 0.030 . 2 . . . . 39 SER HB2 . 11383 1 377 . 1 1 39 39 SER CA C 13 58.206 0.300 . 1 . . . . 39 SER CA . 11383 1 378 . 1 1 39 39 SER CB C 13 64.022 0.300 . 1 . . . . 39 SER CB . 11383 1 379 . 1 1 39 39 SER N N 15 119.340 0.300 . 1 . . . . 39 SER N . 11383 1 380 . 1 1 40 40 GLY H H 1 8.214 0.030 . 1 . . . . 40 GLY H . 11383 1 381 . 1 1 40 40 GLY HA2 H 1 4.160 0.030 . 2 . . . . 40 GLY HA2 . 11383 1 382 . 1 1 40 40 GLY HA3 H 1 4.077 0.030 . 2 . . . . 40 GLY HA3 . 11383 1 383 . 1 1 40 40 GLY CA C 13 44.692 0.300 . 1 . . . . 40 GLY CA . 11383 1 384 . 1 1 40 40 GLY N N 15 110.738 0.300 . 1 . . . . 40 GLY N . 11383 1 385 . 1 1 41 41 PRO HA H 1 4.474 0.030 . 1 . . . . 41 PRO HA . 11383 1 386 . 1 1 41 41 PRO HB2 H 1 2.287 0.030 . 1 . . . . 41 PRO HB2 . 11383 1 387 . 1 1 41 41 PRO HB3 H 1 2.287 0.030 . 1 . . . . 41 PRO HB3 . 11383 1 388 . 1 1 41 41 PRO HD2 H 1 3.618 0.030 . 1 . . . . 41 PRO HD2 . 11383 1 389 . 1 1 41 41 PRO HD3 H 1 3.618 0.030 . 1 . . . . 41 PRO HD3 . 11383 1 390 . 1 1 41 41 PRO HG2 H 1 2.010 0.030 . 1 . . . . 41 PRO HG2 . 11383 1 391 . 1 1 41 41 PRO HG3 H 1 2.010 0.030 . 1 . . . . 41 PRO HG3 . 11383 1 392 . 1 1 41 41 PRO CA C 13 63.294 0.300 . 1 . . . . 41 PRO CA . 11383 1 393 . 1 1 41 41 PRO CB C 13 32.274 0.300 . 1 . . . . 41 PRO CB . 11383 1 394 . 1 1 41 41 PRO CD C 13 49.804 0.300 . 1 . . . . 41 PRO CD . 11383 1 395 . 1 1 41 41 PRO CG C 13 27.121 0.300 . 1 . . . . 41 PRO CG . 11383 1 396 . 1 1 42 42 SER H H 1 8.515 0.030 . 1 . . . . 42 SER H . 11383 1 397 . 1 1 42 42 SER C C 13 174.584 0.300 . 1 . . . . 42 SER C . 11383 1 398 . 1 1 42 42 SER CA C 13 58.384 0.300 . 1 . . . . 42 SER CA . 11383 1 399 . 1 1 42 42 SER CB C 13 64.007 0.300 . 1 . . . . 42 SER CB . 11383 1 400 . 1 1 42 42 SER N N 15 116.429 0.300 . 1 . . . . 42 SER N . 11383 1 stop_ save_