################################### # 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 19483 _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 2 '3D HNHA' . . . 19483 1 4 '3D CBCA(CO)NH' . . . 19483 1 5 '3D HNCACB' . . . 19483 1 9 '3D C(CO)NH' . . . 19483 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 2 2 SER HA H 1 4.419 0.008 . 1 . . . A 10 SER HA . 19483 1 2 . 1 1 2 2 SER HB2 H 1 3.759 0.003 . 1 . . . A 10 SER HB2 . 19483 1 3 . 1 1 2 2 SER HB3 H 1 3.759 0.003 . 1 . . . A 10 SER HB3 . 19483 1 4 . 1 1 2 2 SER C C 13 174.109 0.000 . 1 . . . A 10 SER C . 19483 1 5 . 1 1 2 2 SER CA C 13 58.247 0.066 . 1 . . . A 10 SER CA . 19483 1 6 . 1 1 2 2 SER CB C 13 64.107 0.070 . 1 . . . A 10 SER CB . 19483 1 7 . 1 1 3 3 LYS H H 1 8.431 0.007 . 1 . . . A 11 LYS H . 19483 1 8 . 1 1 3 3 LYS HA H 1 4.534 0.005 . 1 . . . A 11 LYS HA . 19483 1 9 . 1 1 3 3 LYS CA C 13 54.391 0.054 . 1 . . . A 11 LYS CA . 19483 1 10 . 1 1 3 3 LYS CB C 13 32.462 0.000 . 1 . . . A 11 LYS CB . 19483 1 11 . 1 1 3 3 LYS N N 15 124.545 0.021 . 1 . . . A 11 LYS N . 19483 1 12 . 1 1 4 4 PRO HA H 1 4.327 0.012 . 1 . . . A 12 PRO HA . 19483 1 13 . 1 1 4 4 PRO HB2 H 1 2.193 0.021 . 1 . . . A 12 PRO HB2 . 19483 1 14 . 1 1 4 4 PRO HB3 H 1 2.193 0.021 . 1 . . . A 12 PRO HB3 . 19483 1 15 . 1 1 4 4 PRO HG2 H 1 1.909 0.017 . 2 . . . A 12 PRO HG2 . 19483 1 16 . 1 1 4 4 PRO HG3 H 1 1.811 0.021 . 2 . . . A 12 PRO HG3 . 19483 1 17 . 1 1 4 4 PRO HD2 H 1 3.755 0.010 . 2 . . . A 12 PRO HD2 . 19483 1 18 . 1 1 4 4 PRO HD3 H 1 3.521 0.023 . 2 . . . A 12 PRO HD3 . 19483 1 19 . 1 1 4 4 PRO C C 13 176.676 0.000 . 1 . . . A 12 PRO C . 19483 1 20 . 1 1 4 4 PRO CA C 13 63.016 0.087 . 1 . . . A 12 PRO CA . 19483 1 21 . 1 1 4 4 PRO CB C 13 32.187 0.075 . 1 . . . A 12 PRO CB . 19483 1 22 . 1 1 4 4 PRO CG C 13 27.444 0.041 . 1 . . . A 12 PRO CG . 19483 1 23 . 1 1 4 4 PRO CD C 13 50.74 0.131 . 1 . . . A 12 PRO CD . 19483 1 24 . 1 1 5 5 LYS H H 1 8.465 0.004 . 1 . . . A 13 LYS H . 19483 1 25 . 1 1 5 5 LYS HA H 1 4.220 0.017 . 1 . . . A 13 LYS HA . 19483 1 26 . 1 1 5 5 LYS HB2 H 1 1.718 0.020 . 1 . . . A 13 LYS HB2 . 19483 1 27 . 1 1 5 5 LYS HB3 H 1 1.718 0.020 . 1 . . . A 13 LYS HB3 . 19483 1 28 . 1 1 5 5 LYS HG2 H 1 1.377 0.010 . 1 . . . A 13 LYS HG2 . 19483 1 29 . 1 1 5 5 LYS HG3 H 1 1.377 0.010 . 1 . . . A 13 LYS HG3 . 19483 1 30 . 1 1 5 5 LYS HD2 H 1 1.592 0.007 . 1 . . . A 13 LYS HD2 . 19483 1 31 . 1 1 5 5 LYS HD3 H 1 1.592 0.007 . 1 . . . A 13 LYS HD3 . 19483 1 32 . 1 1 5 5 LYS C C 13 176.673 0.000 . 1 . . . A 13 LYS C . 19483 1 33 . 1 1 5 5 LYS CA C 13 56.446 0.061 . 1 . . . A 13 LYS CA . 19483 1 34 . 1 1 5 5 LYS CB C 13 33.028 0.119 . 1 . . . A 13 LYS CB . 19483 1 35 . 1 1 5 5 LYS CG C 13 25.103 0.052 . 1 . . . A 13 LYS CG . 19483 1 36 . 1 1 5 5 LYS CD C 13 29.257 0.013 . 1 . . . A 13 LYS CD . 19483 1 37 . 1 1 5 5 LYS N N 15 122.272 0.028 . 1 . . . A 13 LYS N . 19483 1 38 . 1 1 6 6 THR H H 1 8.140 0.004 . 1 . . . A 14 THR H . 19483 1 39 . 1 1 6 6 THR HA H 1 4.219 0.004 . 1 . . . A 14 THR HA . 19483 1 40 . 1 1 6 6 THR HG1 H 1 3.997 0.015 . 1 . . . A 14 THR HG1 . 19483 1 41 . 1 1 6 6 THR HG21 H 1 1.068 0.008 . 1 . . . A 14 THR MG . 19483 1 42 . 1 1 6 6 THR HG22 H 1 1.068 0.008 . 1 . . . A 14 THR MG . 19483 1 43 . 1 1 6 6 THR HG23 H 1 1.068 0.008 . 1 . . . A 14 THR MG . 19483 1 44 . 1 1 6 6 THR C C 13 173.874 0.000 . 1 . . . A 14 THR C . 19483 1 45 . 1 1 6 6 THR CA C 13 61.968 0.069 . 1 . . . A 14 THR CA . 19483 1 46 . 1 1 6 6 THR CB C 13 69.851 0.044 . 1 . . . A 14 THR CB . 19483 1 47 . 1 1 6 6 THR CG2 C 13 21.814 0.000 . 1 . . . A 14 THR CG2 . 19483 1 48 . 1 1 6 6 THR N N 15 117.331 0.027 . 1 . . . A 14 THR N . 19483 1 49 . 1 1 7 7 ILE H H 1 8.289 0.005 . 1 . . . A 15 ILE H . 19483 1 50 . 1 1 7 7 ILE HA H 1 4.066 0.014 . 1 . . . A 15 ILE HA . 19483 1 51 . 1 1 7 7 ILE HB H 1 1.746 0.005 . 1 . . . A 15 ILE HB . 19483 1 52 . 1 1 7 7 ILE HG12 H 1 1.387 0.006 . 2 . . . A 15 ILE HG12 . 19483 1 53 . 1 1 7 7 ILE HG13 H 1 1.065 0.005 . 2 . . . A 15 ILE HG13 . 19483 1 54 . 1 1 7 7 ILE HG21 H 1 0.747 0.006 . 1 . . . A 15 ILE MG . 19483 1 55 . 1 1 7 7 ILE HG22 H 1 0.747 0.006 . 1 . . . A 15 ILE MG . 19483 1 56 . 1 1 7 7 ILE HG23 H 1 0.747 0.006 . 1 . . . A 15 ILE MG . 19483 1 57 . 1 1 7 7 ILE C C 13 175.420 0.000 . 1 . . . A 15 ILE C . 19483 1 58 . 1 1 7 7 ILE CA C 13 61.026 0.073 . 1 . . . A 15 ILE CA . 19483 1 59 . 1 1 7 7 ILE CB C 13 38.906 0.077 . 1 . . . A 15 ILE CB . 19483 1 60 . 1 1 7 7 ILE CG1 C 13 27.398 0.047 . 1 . . . A 15 ILE CG1 . 19483 1 61 . 1 1 7 7 ILE CG2 C 13 17.54 0.000 . 1 . . . A 15 ILE CG2 . 19483 1 62 . 1 1 7 7 ILE N N 15 124.956 0.019 . 1 . . . A 15 ILE N . 19483 1 63 . 1 1 8 8 VAL H H 1 8.197 0.014 . 1 . . . A 16 VAL H . 19483 1 64 . 1 1 8 8 VAL HA H 1 4.025 0.005 . 1 . . . A 16 VAL HA . 19483 1 65 . 1 1 8 8 VAL HB H 1 1.884 0.009 . 1 . . . A 16 VAL HB . 19483 1 66 . 1 1 8 8 VAL HG11 H 1 0.833 0.019 . 1 . . . A 16 VAL MG1 . 19483 1 67 . 1 1 8 8 VAL HG12 H 1 0.833 0.019 . 1 . . . A 16 VAL MG1 . 19483 1 68 . 1 1 8 8 VAL HG13 H 1 0.833 0.019 . 1 . . . A 16 VAL MG1 . 19483 1 69 . 1 1 8 8 VAL HG21 H 1 0.833 0.019 . 1 . . . A 16 VAL MG2 . 19483 1 70 . 1 1 8 8 VAL HG22 H 1 0.833 0.019 . 1 . . . A 16 VAL MG2 . 19483 1 71 . 1 1 8 8 VAL HG23 H 1 0.833 0.019 . 1 . . . A 16 VAL MG2 . 19483 1 72 . 1 1 8 8 VAL C C 13 175.400 0.000 . 1 . . . A 16 VAL C . 19483 1 73 . 1 1 8 8 VAL CA C 13 62.047 0.078 . 1 . . . A 16 VAL CA . 19483 1 74 . 1 1 8 8 VAL CB C 13 32.702 0.084 . 1 . . . A 16 VAL CB . 19483 1 75 . 1 1 8 8 VAL CG1 C 13 21.266 0.023 . 1 . . . A 16 VAL CG1 . 19483 1 76 . 1 1 8 8 VAL CG2 C 13 21.266 0.023 . 1 . . . A 16 VAL CG2 . 19483 1 77 . 1 1 8 8 VAL N N 15 127.336 0.029 . 1 . . . A 16 VAL N . 19483 1 78 . 1 1 9 9 LEU H H 1 8.435 0.005 . 1 . . . A 17 LEU H . 19483 1 79 . 1 1 9 9 LEU HA H 1 4.462 0.012 . 1 . . . A 17 LEU HA . 19483 1 80 . 1 1 9 9 LEU HB2 H 1 1.613 0.005 . 2 . . . A 17 LEU HB2 . 19483 1 81 . 1 1 9 9 LEU HB3 H 1 1.231 0.010 . 2 . . . A 17 LEU HB3 . 19483 1 82 . 1 1 9 9 LEU HG H 1 1.234 0.006 . 1 . . . A 17 LEU HG . 19483 1 83 . 1 1 9 9 LEU HD11 H 1 0.866 0.016 . 2 . . . A 17 LEU MD1 . 19483 1 84 . 1 1 9 9 LEU HD12 H 1 0.866 0.016 . 2 . . . A 17 LEU MD1 . 19483 1 85 . 1 1 9 9 LEU HD13 H 1 0.866 0.016 . 2 . . . A 17 LEU MD1 . 19483 1 86 . 1 1 9 9 LEU HD21 H 1 0.627 0.003 . 2 . . . A 17 LEU MD2 . 19483 1 87 . 1 1 9 9 LEU HD22 H 1 0.627 0.003 . 2 . . . A 17 LEU MD2 . 19483 1 88 . 1 1 9 9 LEU HD23 H 1 0.627 0.003 . 2 . . . A 17 LEU MD2 . 19483 1 89 . 1 1 9 9 LEU CA C 13 52.332 0.062 . 1 . . . A 17 LEU CA . 19483 1 90 . 1 1 9 9 LEU CB C 13 41.955 0.062 . 1 . . . A 17 LEU CB . 19483 1 91 . 1 1 9 9 LEU CD1 C 13 23.6 0.030 . 1 . . . A 17 LEU CD1 . 19483 1 92 . 1 1 9 9 LEU CD2 C 13 23.6 0.030 . 1 . . . A 17 LEU CD2 . 19483 1 93 . 1 1 9 9 LEU N N 15 127.613 0.022 . 1 . . . A 17 LEU N . 19483 1 94 . 1 1 11 11 PRO HA H 1 4.312 0.006 . 1 . . . A 19 PRO HA . 19483 1 95 . 1 1 11 11 PRO HB2 H 1 2.172 0.004 . 1 . . . A 19 PRO HB2 . 19483 1 96 . 1 1 11 11 PRO HB3 H 1 2.172 0.004 . 1 . . . A 19 PRO HB3 . 19483 1 97 . 1 1 11 11 PRO C C 13 176.775 0.000 . 1 . . . A 19 PRO C . 19483 1 98 . 1 1 11 11 PRO CA C 13 63.892 0.104 . 1 . . . A 19 PRO CA . 19483 1 99 . 1 1 11 11 PRO CB C 13 32.084 0.169 . 1 . . . A 19 PRO CB . 19483 1 100 . 1 1 12 12 ASN H H 1 8.502 0.003 . 1 . . . A 20 ASN H . 19483 1 101 . 1 1 12 12 ASN HB2 H 1 2.689 0.010 . 2 . . . A 20 ASN HB2 . 19483 1 102 . 1 1 12 12 ASN HD21 H 1 7.424 0.035 . 2 . . . A 20 ASN HD21 . 19483 1 103 . 1 1 12 12 ASN HD22 H 1 6.999 0.006 . 2 . . . A 20 ASN HD22 . 19483 1 104 . 1 1 12 12 ASN C C 13 172.150 0.000 . 1 . . . A 20 ASN C . 19483 1 105 . 1 1 12 12 ASN CA C 13 55.145 0.145 . 1 . . . A 20 ASN CA . 19483 1 106 . 1 1 12 12 ASN CB C 13 36.928 0.046 . 1 . . . A 20 ASN CB . 19483 1 107 . 1 1 12 12 ASN N N 15 111.502 0.033 . 1 . . . A 20 ASN N . 19483 1 108 . 1 1 12 12 ASN ND2 N 15 114.216 0.043 . 1 . . . A 20 ASN ND2 . 19483 1 109 . 1 1 13 13 TRP H H 1 7.338 0.020 . 1 . . . A 21 TRP H . 19483 1 110 . 1 1 13 13 TRP HA H 1 5.004 0.009 . 1 . . . A 21 TRP HA . 19483 1 111 . 1 1 13 13 TRP HB2 H 1 2.888 0.020 . 2 . . . A 21 TRP HB2 . 19483 1 112 . 1 1 13 13 TRP HB3 H 1 2.761 0.018 . 2 . . . A 21 TRP HB3 . 19483 1 113 . 1 1 13 13 TRP HE1 H 1 10.403 0.002 . 1 . . . A 21 TRP HE1 . 19483 1 114 . 1 1 13 13 TRP C C 13 175.647 0.000 . 1 . . . A 21 TRP C . 19483 1 115 . 1 1 13 13 TRP CA C 13 57.083 0.024 . 1 . . . A 21 TRP CA . 19483 1 116 . 1 1 13 13 TRP CB C 13 31.774 0.081 . 1 . . . A 21 TRP CB . 19483 1 117 . 1 1 13 13 TRP N N 15 117.470 0.027 . 1 . . . A 21 TRP N . 19483 1 118 . 1 1 13 13 TRP NE1 N 15 129.197 0.027 . 1 . . . A 21 TRP NE1 . 19483 1 119 . 1 1 14 14 LYS H H 1 9.028 0.006 . 1 . . . A 22 LYS H . 19483 1 120 . 1 1 14 14 LYS HA H 1 4.513 0.005 . 1 . . . A 22 LYS HA . 19483 1 121 . 1 1 14 14 LYS HB2 H 1 1.532 0.026 . 2 . . . A 22 LYS HB2 . 19483 1 122 . 1 1 14 14 LYS HG2 H 1 1.016 0.020 . 2 . . . A 22 LYS HG2 . 19483 1 123 . 1 1 14 14 LYS C C 13 174.573 0.000 . 1 . . . A 22 LYS C . 19483 1 124 . 1 1 14 14 LYS CA C 13 54.329 0.062 . 1 . . . A 22 LYS CA . 19483 1 125 . 1 1 14 14 LYS CB C 13 37.081 0.052 . 1 . . . A 22 LYS CB . 19483 1 126 . 1 1 14 14 LYS N N 15 121.420 0.032 . 1 . . . A 22 LYS N . 19483 1 127 . 1 1 15 15 THR H H 1 7.792 0.006 . 1 . . . A 23 THR H . 19483 1 128 . 1 1 15 15 THR HA H 1 4.955 0.006 . 1 . . . A 23 THR HA . 19483 1 129 . 1 1 15 15 THR HB H 1 3.805 0.003 . 1 . . . A 23 THR HB . 19483 1 130 . 1 1 15 15 THR HG21 H 1 0.935 0.006 . 1 . . . A 23 THR MG . 19483 1 131 . 1 1 15 15 THR HG22 H 1 0.935 0.006 . 1 . . . A 23 THR MG . 19483 1 132 . 1 1 15 15 THR HG23 H 1 0.935 0.006 . 1 . . . A 23 THR MG . 19483 1 133 . 1 1 15 15 THR C C 13 173.380 0.000 . 1 . . . A 23 THR C . 19483 1 134 . 1 1 15 15 THR CA C 13 59.654 0.088 . 1 . . . A 23 THR CA . 19483 1 135 . 1 1 15 15 THR CB C 13 71.31 0.046 . 1 . . . A 23 THR CB . 19483 1 136 . 1 1 15 15 THR CG2 C 13 22.057 0.000 . 1 . . . A 23 THR CG2 . 19483 1 137 . 1 1 15 15 THR N N 15 109.599 0.045 . 1 . . . A 23 THR N . 19483 1 138 . 1 1 16 16 ALA H H 1 8.193 0.004 . 1 . . . A 24 ALA H . 19483 1 139 . 1 1 16 16 ALA HA H 1 4.228 0.014 . 1 . . . A 24 ALA HA . 19483 1 140 . 1 1 16 16 ALA C C 13 173.529 0.000 . 1 . . . A 24 ALA C . 19483 1 141 . 1 1 16 16 ALA CA C 13 50.787 0.054 . 1 . . . A 24 ALA CA . 19483 1 142 . 1 1 16 16 ALA CB C 13 22.035 0.044 . 1 . . . A 24 ALA CB . 19483 1 143 . 1 1 16 16 ALA N N 15 125.966 0.046 . 1 . . . A 24 ALA N . 19483 1 144 . 1 1 17 17 ARG H H 1 7.783 0.014 . 1 . . . A 25 ARG H . 19483 1 145 . 1 1 17 17 ARG HA H 1 5.163 0.006 . 1 . . . A 25 ARG HA . 19483 1 146 . 1 1 17 17 ARG HB2 H 1 1.439 0.021 . 2 . . . A 25 ARG HB2 . 19483 1 147 . 1 1 17 17 ARG HB3 H 1 1.379 0.017 . 2 . . . A 25 ARG HB3 . 19483 1 148 . 1 1 17 17 ARG HD2 H 1 2.932 0.006 . 1 . . . A 25 ARG HD2 . 19483 1 149 . 1 1 17 17 ARG HD3 H 1 2.932 0.006 . 1 . . . A 25 ARG HD3 . 19483 1 150 . 1 1 17 17 ARG CA C 13 53.997 0.078 . 1 . . . A 25 ARG CA . 19483 1 151 . 1 1 17 17 ARG CB C 13 33.506 0.086 . 1 . . . A 25 ARG CB . 19483 1 152 . 1 1 17 17 ARG CD C 13 43.554 0.059 . 1 . . . A 25 ARG CD . 19483 1 153 . 1 1 17 17 ARG N N 15 115.327 0.029 . 1 . . . A 25 ARG N . 19483 1 154 . 1 1 18 18 ASP H H 1 9.220 0.011 . 1 . . . A 26 ASP H . 19483 1 155 . 1 1 18 18 ASP N N 15 126.907 0.094 . 1 . . . A 26 ASP N . 19483 1 156 . 1 1 19 19 PRO C C 13 177.700 0.000 . 1 . . . A 27 PRO C . 19483 1 157 . 1 1 19 19 PRO CA C 13 65.505 0.051 . 1 . . . A 27 PRO CA . 19483 1 158 . 1 1 19 19 PRO CB C 13 32.008 0.067 . 1 . . . A 27 PRO CB . 19483 1 159 . 1 1 20 20 GLU H H 1 7.982 0.003 . 1 . . . A 28 GLU H . 19483 1 160 . 1 1 20 20 GLU HA H 1 4.355 0.004 . 1 . . . A 28 GLU HA . 19483 1 161 . 1 1 20 20 GLU HG2 H 1 2.404 0.002 . 2 . . . A 28 GLU HG2 . 19483 1 162 . 1 1 20 20 GLU HG3 H 1 2.233 0.017 . 2 . . . A 28 GLU HG3 . 19483 1 163 . 1 1 20 20 GLU C C 13 176.678 0.000 . 1 . . . A 28 GLU C . 19483 1 164 . 1 1 20 20 GLU CA C 13 55.746 0.043 . 1 . . . A 28 GLU CA . 19483 1 165 . 1 1 20 20 GLU CB C 13 29.993 0.079 . 1 . . . A 28 GLU CB . 19483 1 166 . 1 1 20 20 GLU N N 15 115.072 0.029 . 1 . . . A 28 GLU N . 19483 1 167 . 1 1 21 21 GLY H H 1 8.475 0.008 . 1 . . . A 29 GLY H . 19483 1 168 . 1 1 21 21 GLY HA2 H 1 4.211 0.006 . 2 . . . A 29 GLY HA2 . 19483 1 169 . 1 1 21 21 GLY HA3 H 1 3.463 0.015 . 2 . . . A 29 GLY HA3 . 19483 1 170 . 1 1 21 21 GLY C C 13 174.255 0.000 . 1 . . . A 29 GLY C . 19483 1 171 . 1 1 21 21 GLY CA C 13 45.355 0.081 . 1 . . . A 29 GLY CA . 19483 1 172 . 1 1 21 21 GLY N N 15 109.421 0.025 . 1 . . . A 29 GLY N . 19483 1 173 . 1 1 22 22 LYS H H 1 8.630 0.009 . 1 . . . A 30 LYS H . 19483 1 174 . 1 1 22 22 LYS HA H 1 4.285 0.017 . 1 . . . A 30 LYS HA . 19483 1 175 . 1 1 22 22 LYS C C 13 176.457 0.000 . 1 . . . A 30 LYS C . 19483 1 176 . 1 1 22 22 LYS CA C 13 56.803 0.062 . 1 . . . A 30 LYS CA . 19483 1 177 . 1 1 22 22 LYS CB C 13 32.701 0.008 . 1 . . . A 30 LYS CB . 19483 1 178 . 1 1 22 22 LYS CG C 13 25.054 0.000 . 1 . . . A 30 LYS CG . 19483 1 179 . 1 1 22 22 LYS N N 15 124.700 0.023 . 1 . . . A 30 LYS N . 19483 1 180 . 1 1 23 23 ILE H H 1 8.377 0.005 . 1 . . . A 31 ILE H . 19483 1 181 . 1 1 23 23 ILE HA H 1 4.550 0.004 . 1 . . . A 31 ILE HA . 19483 1 182 . 1 1 23 23 ILE HB H 1 1.648 0.008 . 1 . . . A 31 ILE HB . 19483 1 183 . 1 1 23 23 ILE HG12 H 1 1.487 0.027 . 2 . . . A 31 ILE HG12 . 19483 1 184 . 1 1 23 23 ILE HG13 H 1 0.965 0.011 . 2 . . . A 31 ILE HG13 . 19483 1 185 . 1 1 23 23 ILE HD11 H 1 0.590 0.008 . 1 . . . A 31 ILE MD . 19483 1 186 . 1 1 23 23 ILE HD12 H 1 0.590 0.008 . 1 . . . A 31 ILE MD . 19483 1 187 . 1 1 23 23 ILE HD13 H 1 0.590 0.008 . 1 . . . A 31 ILE MD . 19483 1 188 . 1 1 23 23 ILE C C 13 174.967 0.000 . 1 . . . A 31 ILE C . 19483 1 189 . 1 1 23 23 ILE CA C 13 60.976 0.052 . 1 . . . A 31 ILE CA . 19483 1 190 . 1 1 23 23 ILE CB C 13 39.119 0.159 . 1 . . . A 31 ILE CB . 19483 1 191 . 1 1 23 23 ILE CG2 C 13 17.298 0.000 . 1 . . . A 31 ILE CG2 . 19483 1 192 . 1 1 23 23 ILE CD1 C 13 17.051 0.022 . 1 . . . A 31 ILE CD1 . 19483 1 193 . 1 1 23 23 ILE N N 15 125.775 0.020 . 1 . . . A 31 ILE N . 19483 1 194 . 1 1 24 24 TYR H H 1 8.529 0.004 . 1 . . . A 32 TYR H . 19483 1 195 . 1 1 24 24 TYR HA H 1 4.720 0.011 . 1 . . . A 32 TYR HA . 19483 1 196 . 1 1 24 24 TYR HB2 H 1 2.500 0.036 . 1 . . . A 32 TYR HB2 . 19483 1 197 . 1 1 24 24 TYR HB3 H 1 2.500 0.036 . 1 . . . A 32 TYR HB3 . 19483 1 198 . 1 1 24 24 TYR C C 13 171.148 0.000 . 1 . . . A 32 TYR C . 19483 1 199 . 1 1 24 24 TYR CA C 13 55.417 0.009 . 1 . . . A 32 TYR CA . 19483 1 200 . 1 1 24 24 TYR CB C 13 39.738 0.047 . 1 . . . A 32 TYR CB . 19483 1 201 . 1 1 24 24 TYR N N 15 121.965 0.043 . 1 . . . A 32 TYR N . 19483 1 202 . 1 1 25 25 TYR H H 1 8.674 0.004 . 1 . . . A 33 TYR H . 19483 1 203 . 1 1 25 25 TYR HA H 1 5.282 0.031 . 1 . . . A 33 TYR HA . 19483 1 204 . 1 1 25 25 TYR HB2 H 1 2.914 0.010 . 2 . . . A 33 TYR HB2 . 19483 1 205 . 1 1 25 25 TYR HB3 H 1 2.653 0.019 . 2 . . . A 33 TYR HB3 . 19483 1 206 . 1 1 25 25 TYR C C 13 175.004 0.000 . 1 . . . A 33 TYR C . 19483 1 207 . 1 1 25 25 TYR CA C 13 56.586 0.092 . 1 . . . A 33 TYR CA . 19483 1 208 . 1 1 25 25 TYR CB C 13 41.618 0.098 . 1 . . . A 33 TYR CB . 19483 1 209 . 1 1 25 25 TYR N N 15 117.141 0.049 . 1 . . . A 33 TYR N . 19483 1 210 . 1 1 26 26 TYR H H 1 9.237 0.004 . 1 . . . A 34 TYR H . 19483 1 211 . 1 1 26 26 TYR C C 13 171.430 0.000 . 1 . . . A 34 TYR C . 19483 1 212 . 1 1 26 26 TYR CA C 13 55.649 0.066 . 1 . . . A 34 TYR CA . 19483 1 213 . 1 1 26 26 TYR CB C 13 42.784 0.052 . 1 . . . A 34 TYR CB . 19483 1 214 . 1 1 26 26 TYR N N 15 119.729 0.027 . 1 . . . A 34 TYR N . 19483 1 215 . 1 1 27 27 HIS H H 1 7.800 0.009 . 1 . . . A 35 HIS H . 19483 1 216 . 1 1 27 27 HIS HA H 1 3.863 0.015 . 1 . . . A 35 HIS HA . 19483 1 217 . 1 1 27 27 HIS C C 13 178.528 0.000 . 1 . . . A 35 HIS C . 19483 1 218 . 1 1 27 27 HIS CA C 13 54.908 0.045 . 1 . . . A 35 HIS CA . 19483 1 219 . 1 1 27 27 HIS CB C 13 31.988 0.142 . 1 . . . A 35 HIS CB . 19483 1 220 . 1 1 27 27 HIS N N 15 125.241 0.020 . 1 . . . A 35 HIS N . 19483 1 221 . 1 1 28 28 VAL H H 1 8.323 0.007 . 1 . . . A 36 VAL H . 19483 1 222 . 1 1 28 28 VAL HA H 1 3.690 0.005 . 1 . . . A 36 VAL HA . 19483 1 223 . 1 1 28 28 VAL HB H 1 1.974 0.009 . 1 . . . A 36 VAL HB . 19483 1 224 . 1 1 28 28 VAL HG11 H 1 0.703 0.007 . 1 . . . A 36 VAL MG1 . 19483 1 225 . 1 1 28 28 VAL HG12 H 1 0.703 0.007 . 1 . . . A 36 VAL MG1 . 19483 1 226 . 1 1 28 28 VAL HG13 H 1 0.703 0.007 . 1 . . . A 36 VAL MG1 . 19483 1 227 . 1 1 28 28 VAL HG21 H 1 0.703 0.007 . 1 . . . A 36 VAL MG2 . 19483 1 228 . 1 1 28 28 VAL HG22 H 1 0.703 0.007 . 1 . . . A 36 VAL MG2 . 19483 1 229 . 1 1 28 28 VAL HG23 H 1 0.703 0.007 . 1 . . . A 36 VAL MG2 . 19483 1 230 . 1 1 28 28 VAL C C 13 176.525 0.000 . 1 . . . A 36 VAL C . 19483 1 231 . 1 1 28 28 VAL CA C 13 64.549 0.113 . 1 . . . A 36 VAL CA . 19483 1 232 . 1 1 28 28 VAL CB C 13 31.903 0.038 . 1 . . . A 36 VAL CB . 19483 1 233 . 1 1 28 28 VAL CG1 C 13 21.391 0.124 . 1 . . . A 36 VAL CG1 . 19483 1 234 . 1 1 28 28 VAL CG2 C 13 21.391 0.124 . 1 . . . A 36 VAL CG2 . 19483 1 235 . 1 1 28 28 VAL N N 15 121.804 0.032 . 1 . . . A 36 VAL N . 19483 1 236 . 1 1 29 29 ILE H H 1 8.812 0.010 . 1 . . . A 37 ILE H . 19483 1 237 . 1 1 29 29 ILE HA H 1 4.142 0.008 . 1 . . . A 37 ILE HA . 19483 1 238 . 1 1 29 29 ILE HB H 1 1.960 0.012 . 1 . . . A 37 ILE HB . 19483 1 239 . 1 1 29 29 ILE HG12 H 1 0.715 0.006 . 1 . . . A 37 ILE HG12 . 19483 1 240 . 1 1 29 29 ILE HG13 H 1 0.715 0.006 . 1 . . . A 37 ILE HG13 . 19483 1 241 . 1 1 29 29 ILE C C 13 178.200 0.000 . 1 . . . A 37 ILE C . 19483 1 242 . 1 1 29 29 ILE CA C 13 62.613 0.106 . 1 . . . A 37 ILE CA . 19483 1 243 . 1 1 29 29 ILE CB C 13 38.369 0.066 . 1 . . . A 37 ILE CB . 19483 1 244 . 1 1 29 29 ILE N N 15 120.602 0.030 . 1 . . . A 37 ILE N . 19483 1 245 . 1 1 30 30 THR H H 1 8.846 0.007 . 1 . . . A 38 THR H . 19483 1 246 . 1 1 30 30 THR HA H 1 3.944 0.004 . 1 . . . A 38 THR HA . 19483 1 247 . 1 1 30 30 THR HG21 H 1 0.690 0.003 . 1 . . . A 38 THR MG . 19483 1 248 . 1 1 30 30 THR HG22 H 1 0.690 0.003 . 1 . . . A 38 THR MG . 19483 1 249 . 1 1 30 30 THR HG23 H 1 0.690 0.003 . 1 . . . A 38 THR MG . 19483 1 250 . 1 1 30 30 THR C C 13 176.563 0.000 . 1 . . . A 38 THR C . 19483 1 251 . 1 1 30 30 THR CA C 13 63.115 0.046 . 1 . . . A 38 THR CA . 19483 1 252 . 1 1 30 30 THR CB C 13 69.516 0.057 . 1 . . . A 38 THR CB . 19483 1 253 . 1 1 30 30 THR CG2 C 13 21.135 0.000 . 1 . . . A 38 THR CG2 . 19483 1 254 . 1 1 30 30 THR N N 15 111.961 0.021 . 1 . . . A 38 THR N . 19483 1 255 . 1 1 31 31 ARG H H 1 7.983 0.005 . 1 . . . A 39 ARG H . 19483 1 256 . 1 1 31 31 ARG HA H 1 3.952 0.008 . 1 . . . A 39 ARG HA . 19483 1 257 . 1 1 31 31 ARG HB2 H 1 2.141 0.000 . 1 . . . A 39 ARG HB2 . 19483 1 258 . 1 1 31 31 ARG HB3 H 1 2.141 0.000 . 1 . . . A 39 ARG HB3 . 19483 1 259 . 1 1 31 31 ARG HG2 H 1 1.418 0.019 . 1 . . . A 39 ARG HG2 . 19483 1 260 . 1 1 31 31 ARG HG3 H 1 1.418 0.019 . 1 . . . A 39 ARG HG3 . 19483 1 261 . 1 1 31 31 ARG C C 13 175.565 0.000 . 1 . . . A 39 ARG C . 19483 1 262 . 1 1 31 31 ARG CA C 13 56.965 0.072 . 1 . . . A 39 ARG CA . 19483 1 263 . 1 1 31 31 ARG N N 15 113.592 0.039 . 1 . . . A 39 ARG N . 19483 1 264 . 1 1 32 32 GLN H H 1 7.724 0.011 . 1 . . . A 40 GLN H . 19483 1 265 . 1 1 32 32 GLN HA H 1 4.197 0.011 . 1 . . . A 40 GLN HA . 19483 1 266 . 1 1 32 32 GLN HB2 H 1 2.302 0.031 . 2 . . . A 40 GLN HB2 . 19483 1 267 . 1 1 32 32 GLN HB3 H 1 1.888 0.008 . 2 . . . A 40 GLN HB3 . 19483 1 268 . 1 1 32 32 GLN HG2 H 1 2.221 0.012 . 1 . . . A 40 GLN HG2 . 19483 1 269 . 1 1 32 32 GLN HG3 H 1 2.221 0.012 . 1 . . . A 40 GLN HG3 . 19483 1 270 . 1 1 32 32 GLN HE21 H 1 7.833 0.011 . 2 . . . A 40 GLN HE21 . 19483 1 271 . 1 1 32 32 GLN HE22 H 1 7.001 0.007 . 2 . . . A 40 GLN HE22 . 19483 1 272 . 1 1 32 32 GLN C C 13 174.508 0.000 . 1 . . . A 40 GLN C . 19483 1 273 . 1 1 32 32 GLN CA C 13 56.808 0.062 . 1 . . . A 40 GLN CA . 19483 1 274 . 1 1 32 32 GLN CB C 13 29.529 0.064 . 1 . . . A 40 GLN CB . 19483 1 275 . 1 1 32 32 GLN CG C 13 33.962 0.025 . 1 . . . A 40 GLN CG . 19483 1 276 . 1 1 32 32 GLN N N 15 120.454 0.023 . 1 . . . A 40 GLN N . 19483 1 277 . 1 1 32 32 GLN NE2 N 15 113.126 0.023 . 1 . . . A 40 GLN NE2 . 19483 1 278 . 1 1 33 33 THR H H 1 8.265 0.005 . 1 . . . A 41 THR H . 19483 1 279 . 1 1 33 33 THR HB H 1 3.884 0.007 . 1 . . . A 41 THR HB . 19483 1 280 . 1 1 33 33 THR HG21 H 1 1.053 0.007 . 1 . . . A 41 THR MG . 19483 1 281 . 1 1 33 33 THR HG22 H 1 1.053 0.007 . 1 . . . A 41 THR MG . 19483 1 282 . 1 1 33 33 THR HG23 H 1 1.053 0.007 . 1 . . . A 41 THR MG . 19483 1 283 . 1 1 33 33 THR C C 13 174.484 0.000 . 1 . . . A 41 THR C . 19483 1 284 . 1 1 33 33 THR CA C 13 59.969 0.084 . 1 . . . A 41 THR CA . 19483 1 285 . 1 1 33 33 THR CB C 13 72.316 0.055 . 1 . . . A 41 THR CB . 19483 1 286 . 1 1 33 33 THR CG2 C 13 22.109 0.135 . 1 . . . A 41 THR CG2 . 19483 1 287 . 1 1 33 33 THR N N 15 113.435 0.029 . 1 . . . A 41 THR N . 19483 1 288 . 1 1 34 34 GLN H H 1 9.228 0.007 . 1 . . . A 42 GLN H . 19483 1 289 . 1 1 34 34 GLN HA H 1 4.756 0.010 . 1 . . . A 42 GLN HA . 19483 1 290 . 1 1 34 34 GLN HB2 H 1 2.552 0.011 . 1 . . . A 42 GLN HB2 . 19483 1 291 . 1 1 34 34 GLN HB3 H 1 2.552 0.011 . 1 . . . A 42 GLN HB3 . 19483 1 292 . 1 1 34 34 GLN HG2 H 1 2.180 0.006 . 2 . . . A 42 GLN HG2 . 19483 1 293 . 1 1 34 34 GLN HG3 H 1 2.149 0.010 . 2 . . . A 42 GLN HG3 . 19483 1 294 . 1 1 34 34 GLN HE21 H 1 7.317 0.035 . 2 . . . A 42 GLN HE21 . 19483 1 295 . 1 1 34 34 GLN HE22 H 1 6.438 0.121 . 2 . . . A 42 GLN HE22 . 19483 1 296 . 1 1 34 34 GLN C C 13 174.546 0.000 . 1 . . . A 42 GLN C . 19483 1 297 . 1 1 34 34 GLN CA C 13 55.174 0.056 . 1 . . . A 42 GLN CA . 19483 1 298 . 1 1 34 34 GLN CB C 13 32.438 0.064 . 1 . . . A 42 GLN CB . 19483 1 299 . 1 1 34 34 GLN N N 15 116.543 0.039 . 1 . . . A 42 GLN N . 19483 1 300 . 1 1 34 34 GLN NE2 N 15 112.261 0.017 . 1 . . . A 42 GLN NE2 . 19483 1 301 . 1 1 35 35 TRP H H 1 8.726 0.010 . 1 . . . A 43 TRP H . 19483 1 302 . 1 1 35 35 TRP HA H 1 4.946 0.004 . 1 . . . A 43 TRP HA . 19483 1 303 . 1 1 35 35 TRP HB2 H 1 3.580 0.009 . 2 . . . A 43 TRP HB2 . 19483 1 304 . 1 1 35 35 TRP HB3 H 1 3.090 0.009 . 2 . . . A 43 TRP HB3 . 19483 1 305 . 1 1 35 35 TRP C C 13 175.971 0.000 . 1 . . . A 43 TRP C . 19483 1 306 . 1 1 35 35 TRP CA C 13 58.906 0.026 . 1 . . . A 43 TRP CA . 19483 1 307 . 1 1 35 35 TRP CB C 13 30.926 0.043 . 1 . . . A 43 TRP CB . 19483 1 308 . 1 1 35 35 TRP N N 15 119.648 0.026 . 1 . . . A 43 TRP N . 19483 1 309 . 1 1 36 36 ASP H H 1 7.834 0.008 . 1 . . . A 44 ASP H . 19483 1 310 . 1 1 36 36 ASP HA H 1 5.069 0.006 . 1 . . . A 44 ASP HA . 19483 1 311 . 1 1 36 36 ASP HB2 H 1 2.522 0.008 . 2 . . . A 44 ASP HB2 . 19483 1 312 . 1 1 36 36 ASP HB3 H 1 2.275 0.013 . 2 . . . A 44 ASP HB3 . 19483 1 313 . 1 1 36 36 ASP CA C 13 51.594 0.031 . 1 . . . A 44 ASP CA . 19483 1 314 . 1 1 36 36 ASP CB C 13 40.605 0.063 . 1 . . . A 44 ASP CB . 19483 1 315 . 1 1 36 36 ASP N N 15 117.344 0.047 . 1 . . . A 44 ASP N . 19483 1 316 . 1 1 38 38 PRO HA H 1 2.764 0.005 . 1 . . . A 46 PRO HA . 19483 1 317 . 1 1 38 38 PRO HB2 H 1 1.441 0.011 . 2 . . . A 46 PRO HB2 . 19483 1 318 . 1 1 38 38 PRO HB3 H 1 1.346 0.019 . 2 . . . A 46 PRO HB3 . 19483 1 319 . 1 1 38 38 PRO HG2 H 1 1.848 0.025 . 2 . . . A 46 PRO HG2 . 19483 1 320 . 1 1 38 38 PRO HG3 H 1 1.801 0.019 . 2 . . . A 46 PRO HG3 . 19483 1 321 . 1 1 38 38 PRO C C 13 175.310 0.000 . 1 . . . A 46 PRO C . 19483 1 322 . 1 1 38 38 PRO CA C 13 60.803 0.240 . 1 . . . A 46 PRO CA . 19483 1 323 . 1 1 38 38 PRO CB C 13 30.37 0.119 . 1 . . . A 46 PRO CB . 19483 1 324 . 1 1 39 39 THR H H 1 7.706 0.037 . 1 . . . A 47 THR H . 19483 1 325 . 1 1 39 39 THR HA H 1 4.196 0.010 . 1 . . . A 47 THR HA . 19483 1 326 . 1 1 39 39 THR HB H 1 4.063 0.000 . 1 . . . A 47 THR HB . 19483 1 327 . 1 1 39 39 THR HG21 H 1 0.994 0.009 . 1 . . . A 47 THR MG . 19483 1 328 . 1 1 39 39 THR HG22 H 1 0.994 0.009 . 1 . . . A 47 THR MG . 19483 1 329 . 1 1 39 39 THR HG23 H 1 0.994 0.009 . 1 . . . A 47 THR MG . 19483 1 330 . 1 1 39 39 THR C C 13 174.020 0.000 . 1 . . . A 47 THR C . 19483 1 331 . 1 1 39 39 THR CA C 13 60.895 0.048 . 1 . . . A 47 THR CA . 19483 1 332 . 1 1 39 39 THR CB C 13 70.238 0.054 . 1 . . . A 47 THR CB . 19483 1 333 . 1 1 39 39 THR CG2 C 13 21.666 0.000 . 1 . . . A 47 THR CG2 . 19483 1 334 . 1 1 39 39 THR N N 15 112.624 0.037 . 1 . . . A 47 THR N . 19483 1 335 . 1 1 40 40 TRP H H 1 8.398 0.005 . 1 . . . A 48 TRP H . 19483 1 336 . 1 1 40 40 TRP HA H 1 4.414 0.016 . 1 . . . A 48 TRP HA . 19483 1 337 . 1 1 40 40 TRP HB2 H 1 3.190 0.013 . 2 . . . A 48 TRP HB2 . 19483 1 338 . 1 1 40 40 TRP HB3 H 1 2.987 0.013 . 2 . . . A 48 TRP HB3 . 19483 1 339 . 1 1 40 40 TRP HE1 H 1 10.008 0.002 . 1 . . . A 48 TRP HE1 . 19483 1 340 . 1 1 40 40 TRP C C 13 175.670 0.000 . 1 . . . A 48 TRP C . 19483 1 341 . 1 1 40 40 TRP CA C 13 57.531 0.089 . 1 . . . A 48 TRP CA . 19483 1 342 . 1 1 40 40 TRP CB C 13 29.62 0.053 . 1 . . . A 48 TRP CB . 19483 1 343 . 1 1 40 40 TRP N N 15 123.454 0.041 . 1 . . . A 48 TRP N . 19483 1 344 . 1 1 40 40 TRP NE1 N 15 129.386 0.020 . 1 . . . A 48 TRP NE1 . 19483 1 345 . 1 1 41 41 GLU H H 1 8.250 0.004 . 1 . . . A 49 GLU H . 19483 1 346 . 1 1 41 41 GLU HA H 1 4.186 0.020 . 1 . . . A 49 GLU HA . 19483 1 347 . 1 1 41 41 GLU HB2 H 1 1.872 0.009 . 2 . . . A 49 GLU HB2 . 19483 1 348 . 1 1 41 41 GLU HB3 H 1 1.756 0.011 . 2 . . . A 49 GLU HB3 . 19483 1 349 . 1 1 41 41 GLU HG2 H 1 2.063 0.007 . 1 . . . A 49 GLU HG2 . 19483 1 350 . 1 1 41 41 GLU HG3 H 1 2.063 0.007 . 1 . . . A 49 GLU HG3 . 19483 1 351 . 1 1 41 41 GLU C C 13 175.615 0.000 . 1 . . . A 49 GLU C . 19483 1 352 . 1 1 41 41 GLU CA C 13 56.214 0.165 . 1 . . . A 49 GLU CA . 19483 1 353 . 1 1 41 41 GLU CB C 13 30.657 0.057 . 1 . . . A 49 GLU CB . 19483 1 354 . 1 1 41 41 GLU CG C 13 36.172 0.029 . 1 . . . A 49 GLU CG . 19483 1 355 . 1 1 41 41 GLU N N 15 123.101 0.024 . 1 . . . A 49 GLU N . 19483 1 356 . 1 1 42 42 SER H H 1 8.234 0.006 . 1 . . . A 50 SER H . 19483 1 357 . 1 1 42 42 SER HA H 1 4.225 0.386 . 1 . . . A 50 SER HA . 19483 1 358 . 1 1 42 42 SER HB2 H 1 3.673 0.010 . 1 . . . A 50 SER HB2 . 19483 1 359 . 1 1 42 42 SER HB3 H 1 3.673 0.010 . 1 . . . A 50 SER HB3 . 19483 1 360 . 1 1 42 42 SER CB C 13 63.382 0.052 . 1 . . . A 50 SER CB . 19483 1 361 . 1 1 42 42 SER N N 15 118.220 0.029 . 1 . . . A 50 SER N . 19483 1 362 . 1 1 43 43 PRO HA H 1 4.311 0.012 . 1 . . . A 51 PRO HA . 19483 1 363 . 1 1 43 43 PRO HB2 H 1 2.162 0.005 . 1 . . . A 51 PRO HB2 . 19483 1 364 . 1 1 43 43 PRO HB3 H 1 2.162 0.005 . 1 . . . A 51 PRO HB3 . 19483 1 365 . 1 1 43 43 PRO HG2 H 1 1.895 0.018 . 1 . . . A 51 PRO HG2 . 19483 1 366 . 1 1 43 43 PRO HG3 H 1 1.895 0.018 . 1 . . . A 51 PRO HG3 . 19483 1 367 . 1 1 43 43 PRO HD2 H 1 3.669 0.015 . 2 . . . A 51 PRO HD2 . 19483 1 368 . 1 1 43 43 PRO HD3 H 1 3.529 0.004 . 2 . . . A 51 PRO HD3 . 19483 1 369 . 1 1 43 43 PRO C C 13 177.390 0.000 . 1 . . . A 51 PRO C . 19483 1 370 . 1 1 43 43 PRO CA C 13 63.54 0.054 . 1 . . . A 51 PRO CA . 19483 1 371 . 1 1 43 43 PRO CB C 13 32.065 0.040 . 1 . . . A 51 PRO CB . 19483 1 372 . 1 1 43 43 PRO CG C 13 27.37 0.085 . 1 . . . A 51 PRO CG . 19483 1 373 . 1 1 43 43 PRO CD C 13 50.746 0.107 . 1 . . . A 51 PRO CD . 19483 1 374 . 1 1 44 44 GLY H H 1 8.300 0.005 . 1 . . . A 52 GLY H . 19483 1 375 . 1 1 44 44 GLY HA2 H 1 3.855 0.008 . 1 . . . A 52 GLY HA2 . 19483 1 376 . 1 1 44 44 GLY HA3 H 1 3.855 0.008 . 1 . . . A 52 GLY HA3 . 19483 1 377 . 1 1 44 44 GLY C C 13 173.834 0.000 . 1 . . . A 52 GLY C . 19483 1 378 . 1 1 44 44 GLY CA C 13 45.13 0.073 . 1 . . . A 52 GLY CA . 19483 1 379 . 1 1 44 44 GLY N N 15 109.096 0.020 . 1 . . . A 52 GLY N . 19483 1 380 . 1 1 45 45 ASP H H 1 8.161 0.002 . 1 . . . A 53 ASP H . 19483 1 381 . 1 1 45 45 ASP HA H 1 4.492 0.009 . 1 . . . A 53 ASP HA . 19483 1 382 . 1 1 45 45 ASP HB2 H 1 2.578 0.020 . 2 . . . A 53 ASP HB2 . 19483 1 383 . 1 1 45 45 ASP HB3 H 1 2.534 0.003 . 2 . . . A 53 ASP HB3 . 19483 1 384 . 1 1 45 45 ASP C C 13 176.050 0.000 . 1 . . . A 53 ASP C . 19483 1 385 . 1 1 45 45 ASP CA C 13 54.409 0.060 . 1 . . . A 53 ASP CA . 19483 1 386 . 1 1 45 45 ASP CB C 13 41.113 0.083 . 1 . . . A 53 ASP CB . 19483 1 387 . 1 1 45 45 ASP N N 15 120.491 0.017 . 1 . . . A 53 ASP N . 19483 1 388 . 1 1 46 46 ASP H H 1 8.278 0.009 . 1 . . . A 54 ASP H . 19483 1 389 . 1 1 46 46 ASP HA H 1 4.482 0.010 . 1 . . . A 54 ASP HA . 19483 1 390 . 1 1 46 46 ASP HB2 H 1 2.576 0.014 . 2 . . . A 54 ASP HB2 . 19483 1 391 . 1 1 46 46 ASP HB3 H 1 2.544 0.005 . 2 . . . A 54 ASP HB3 . 19483 1 392 . 1 1 46 46 ASP C C 13 175.814 0.000 . 1 . . . A 54 ASP C . 19483 1 393 . 1 1 46 46 ASP CA C 13 54.316 0.074 . 1 . . . A 54 ASP CA . 19483 1 394 . 1 1 46 46 ASP CB C 13 41.004 0.046 . 1 . . . A 54 ASP CB . 19483 1 395 . 1 1 46 46 ASP N N 15 120.310 0.028 . 1 . . . A 54 ASP N . 19483 1 396 . 1 1 47 47 ALA H H 1 8.112 0.003 . 1 . . . A 55 ALA H . 19483 1 397 . 1 1 47 47 ALA HA H 1 4.293 0.009 . 1 . . . A 55 ALA HA . 19483 1 398 . 1 1 47 47 ALA HB1 H 1 1.310 0.007 . 1 . . . A 55 ALA MB . 19483 1 399 . 1 1 47 47 ALA HB2 H 1 1.310 0.007 . 1 . . . A 55 ALA MB . 19483 1 400 . 1 1 47 47 ALA HB3 H 1 1.310 0.007 . 1 . . . A 55 ALA MB . 19483 1 401 . 1 1 47 47 ALA C C 13 176.876 0.000 . 1 . . . A 55 ALA C . 19483 1 402 . 1 1 47 47 ALA CA C 13 52.448 0.060 . 1 . . . A 55 ALA CA . 19483 1 403 . 1 1 47 47 ALA CB C 13 19.342 0.021 . 1 . . . A 55 ALA CB . 19483 1 404 . 1 1 47 47 ALA N N 15 124.719 0.039 . 1 . . . A 55 ALA N . 19483 1 405 . 1 1 48 48 SER H H 1 7.875 0.002 . 1 . . . A 56 SER H . 19483 1 406 . 1 1 48 48 SER HA H 1 4.042 0.026 . 1 . . . A 56 SER HA . 19483 1 407 . 1 1 48 48 SER CA C 13 60.153 0.031 . 1 . . . A 56 SER CA . 19483 1 408 . 1 1 48 48 SER CB C 13 64.811 0.024 . 1 . . . A 56 SER CB . 19483 1 409 . 1 1 48 48 SER N N 15 121.159 0.026 . 1 . . . A 56 SER N . 19483 1 stop_ save_