################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53483 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'N-Myc1-69 assigned chemical shift list' _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 $chem_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 '2D 1H-15N HSQC' . . . 53483 1 2 '3D CBCA(CO)NH' . . . 53483 1 3 '3D HNCACB' . . . 53483 1 4 '3D HNCO' . . . 53483 1 5 '3D HBHA(CO)NH' . . . 53483 1 6 '3D HN(CA)CO' . . . 53483 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 $software_1 . . 53483 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 PRO HA H 1 4.403 0.000 . 1 . . . . . 2 PRO HA . 53483 1 2 . 1 . 1 2 2 PRO HB2 H 1 2.264 0.000 . 1 . . . . . 2 PRO HB2 . 53483 1 3 . 1 . 1 2 2 PRO HB3 H 1 1.881 0.000 . 1 . . . . . 2 PRO HB3 . 53483 1 4 . 1 . 1 2 2 PRO C C 13 176.938 0.003 . 1 . . . . . 2 PRO CO . 53483 1 5 . 1 . 1 2 2 PRO CA C 13 63.249 0.000 . 1 . . . . . 2 PRO CA . 53483 1 6 . 1 . 1 2 2 PRO CB C 13 32.205 0.000 . 1 . . . . . 2 PRO CB . 53483 1 7 . 1 . 1 3 3 SER H H 1 8.533 0.001 . 1 . . . . . 3 SER HN . 53483 1 8 . 1 . 1 3 3 SER HA H 1 4.379 0.000 . 1 . . . . . 3 SER HA . 53483 1 9 . 1 . 1 3 3 SER HB2 H 1 3.860 0.000 . 1 . . . . . 3 SER HB2 . 53483 1 10 . 1 . 1 3 3 SER HB3 H 1 3.809 0.000 . 1 . . . . . 3 SER HB3 . 53483 1 11 . 1 . 1 3 3 SER C C 13 174.642 0.007 . 1 . . . . . 3 SER CO . 53483 1 12 . 1 . 1 3 3 SER CA C 13 58.442 0.008 . 1 . . . . . 3 SER CA . 53483 1 13 . 1 . 1 3 3 SER CB C 13 63.843 0.021 . 1 . . . . . 3 SER CB . 53483 1 14 . 1 . 1 3 3 SER N N 15 116.338 0.015 . 1 . . . . . 3 SER N . 53483 1 15 . 1 . 1 4 4 CYS H H 1 8.443 0.001 . 1 . . . . . 4 CYS HN . 53483 1 16 . 1 . 1 4 4 CYS HA H 1 4.548 0.000 . 1 . . . . . 4 CYS HA . 53483 1 17 . 1 . 1 4 4 CYS HB2 H 1 2.914 0.000 . 1 . . . . . 4 CYS HB2 . 53483 1 18 . 1 . 1 4 4 CYS HB3 H 1 2.881 0.000 . 1 . . . . . 4 CYS HB3 . 53483 1 19 . 1 . 1 4 4 CYS C C 13 174.717 0.008 . 1 . . . . . 4 CYS CO . 53483 1 20 . 1 . 1 4 4 CYS CA C 13 58.372 0.028 . 1 . . . . . 4 CYS CA . 53483 1 21 . 1 . 1 4 4 CYS CB C 13 28.320 0.052 . 1 . . . . . 4 CYS CB . 53483 1 22 . 1 . 1 4 4 CYS N N 15 120.907 0.010 . 1 . . . . . 4 CYS N . 53483 1 23 . 1 . 1 5 5 SER H H 1 8.524 0.002 . 1 . . . . . 5 SER HN . 53483 1 24 . 1 . 1 5 5 SER HA H 1 4.491 0.000 . 1 . . . . . 5 SER HA . 53483 1 25 . 1 . 1 5 5 SER HB2 H 1 3.866 0.000 . 1 . . . . . 5 SER HB2 . 53483 1 26 . 1 . 1 5 5 SER HB3 H 1 3.834 0.000 . 1 . . . . . 5 SER HB3 . 53483 1 27 . 1 . 1 5 5 SER C C 13 174.916 0.017 . 1 . . . . . 5 SER CO . 53483 1 28 . 1 . 1 5 5 SER CA C 13 58.595 0.020 . 1 . . . . . 5 SER CA . 53483 1 29 . 1 . 1 5 5 SER CB C 13 63.834 0.022 . 1 . . . . . 5 SER CB . 53483 1 30 . 1 . 1 5 5 SER N N 15 118.608 0.036 . 1 . . . . . 5 SER N . 53483 1 31 . 1 . 1 6 6 THR H H 1 8.233 0.001 . 1 . . . . . 6 THR HN . 53483 1 32 . 1 . 1 6 6 THR HA H 1 4.363 0.000 . 1 . . . . . 6 THR HA . 53483 1 33 . 1 . 1 6 6 THR HB H 1 4.273 0.000 . 1 . . . . . 6 THR HB . 53483 1 34 . 1 . 1 6 6 THR C C 13 174.756 0.007 . 1 . . . . . 6 THR CO . 53483 1 35 . 1 . 1 6 6 THR CA C 13 61.956 0.016 . 1 . . . . . 6 THR CA . 53483 1 36 . 1 . 1 6 6 THR CB C 13 69.701 0.018 . 1 . . . . . 6 THR CB . 53483 1 37 . 1 . 1 6 6 THR N N 15 115.626 0.009 . 1 . . . . . 6 THR N . 53483 1 38 . 1 . 1 7 7 SER H H 1 8.317 0.001 . 1 . . . . . 7 SER HN . 53483 1 39 . 1 . 1 7 7 SER HA H 1 4.466 0.000 . 1 . . . . . 7 SER HA . 53483 1 40 . 1 . 1 7 7 SER HB2 H 1 3.831 0.000 . 1 . . . . . 7 SER HB2 . 53483 1 41 . 1 . 1 7 7 SER HB3 H 1 3.796 0.000 . 1 . . . . . 7 SER HB3 . 53483 1 42 . 1 . 1 7 7 SER C C 13 174.697 0.001 . 1 . . . . . 7 SER CO . 53483 1 43 . 1 . 1 7 7 SER CA C 13 58.541 0.002 . 1 . . . . . 7 SER CA . 53483 1 44 . 1 . 1 7 7 SER CB C 13 63.886 0.004 . 1 . . . . . 7 SER CB . 53483 1 45 . 1 . 1 7 7 SER N N 15 117.797 0.019 . 1 . . . . . 7 SER N . 53483 1 46 . 1 . 1 8 8 THR H H 1 8.171 0.001 . 1 . . . . . 8 THR HN . 53483 1 47 . 1 . 1 8 8 THR HA H 1 4.295 0.000 . 1 . . . . . 8 THR HA . 53483 1 48 . 1 . 1 8 8 THR HB H 1 4.168 0.000 . 1 . . . . . 8 THR HB . 53483 1 49 . 1 . 1 8 8 THR C C 13 174.369 0.005 . 1 . . . . . 8 THR CO . 53483 1 50 . 1 . 1 8 8 THR CA C 13 61.845 0.014 . 1 . . . . . 8 THR CA . 53483 1 51 . 1 . 1 8 8 THR CB C 13 69.725 0.028 . 1 . . . . . 8 THR CB . 53483 1 52 . 1 . 1 8 8 THR N N 15 115.804 0.015 . 1 . . . . . 8 THR N . 53483 1 53 . 1 . 1 9 9 MET H H 1 8.284 0.001 . 1 . . . . . 9 MET HN . 53483 1 54 . 1 . 1 9 9 MET C C 13 174.123 0.000 . 1 . . . . . 9 MET CO . 53483 1 55 . 1 . 1 9 9 MET CA C 13 53.483 0.000 . 1 . . . . . 9 MET CA . 53483 1 56 . 1 . 1 9 9 MET CB C 13 32.519 0.000 . 1 . . . . . 9 MET CB . 53483 1 57 . 1 . 1 9 9 MET N N 15 124.118 0.015 . 1 . . . . . 9 MET N . 53483 1 58 . 1 . 1 10 10 PRO HA H 1 4.337 0.000 . 1 . . . . . 10 PRO HA . 53483 1 59 . 1 . 1 10 10 PRO HB2 H 1 2.241 0.000 . 1 . . . . . 10 PRO HB2 . 53483 1 60 . 1 . 1 10 10 PRO HB3 H 1 1.857 0.000 . 1 . . . . . 10 PRO HB3 . 53483 1 61 . 1 . 1 10 10 PRO C C 13 177.601 0.006 . 1 . . . . . 10 PRO CO . 53483 1 62 . 1 . 1 10 10 PRO CA C 13 63.613 0.000 . 1 . . . . . 10 PRO CA . 53483 1 63 . 1 . 1 10 10 PRO CB C 13 32.025 0.000 . 1 . . . . . 10 PRO CB . 53483 1 64 . 1 . 1 11 11 GLY H H 1 8.549 0.001 . 1 . . . . . 11 GLY HN . 53483 1 65 . 1 . 1 11 11 GLY HA2 H 1 3.865 0.000 . 1 . . . . . 11 GLY HA . 53483 1 66 . 1 . 1 11 11 GLY HA3 H 1 3.865 0.000 . 1 . . . . . 11 GLY HA . 53483 1 67 . 1 . 1 11 11 GLY C C 13 174.158 0.004 . 1 . . . . . 11 GLY CO . 53483 1 68 . 1 . 1 11 11 GLY CA C 13 45.370 0.008 . 1 . . . . . 11 GLY CA . 53483 1 69 . 1 . 1 11 11 GLY N N 15 109.369 0.037 . 1 . . . . . 11 GLY N . 53483 1 70 . 1 . 1 12 12 MET H H 1 8.054 0.001 . 1 . . . . . 12 MET HN . 53483 1 71 . 1 . 1 12 12 MET HA H 1 4.427 0.000 . 1 . . . . . 12 MET HA . 53483 1 72 . 1 . 1 12 12 MET HB2 H 1 2.001 0.000 . 1 . . . . . 12 MET HB2 . 53483 1 73 . 1 . 1 12 12 MET HB3 H 1 1.954 0.000 . 1 . . . . . 12 MET HB3 . 53483 1 74 . 1 . 1 12 12 MET C C 13 176.126 0.014 . 1 . . . . . 12 MET CO . 53483 1 75 . 1 . 1 12 12 MET CA C 13 55.454 0.020 . 1 . . . . . 12 MET CA . 53483 1 76 . 1 . 1 12 12 MET CB C 13 33.110 0.119 . 1 . . . . . 12 MET CB . 53483 1 77 . 1 . 1 12 12 MET N N 15 119.662 0.010 . 1 . . . . . 12 MET N . 53483 1 78 . 1 . 1 13 13 ILE H H 1 8.244 0.001 . 1 . . . . . 13 ILE HN . 53483 1 79 . 1 . 1 13 13 ILE HA H 1 4.118 0.000 . 1 . . . . . 13 ILE HA . 53483 1 80 . 1 . 1 13 13 ILE HB H 1 1.784 0.000 . 1 . . . . . 13 ILE HB . 53483 1 81 . 1 . 1 13 13 ILE C C 13 175.992 0.001 . 1 . . . . . 13 ILE CO . 53483 1 82 . 1 . 1 13 13 ILE CA C 13 61.055 0.027 . 1 . . . . . 13 ILE CA . 53483 1 83 . 1 . 1 13 13 ILE CB C 13 38.753 0.023 . 1 . . . . . 13 ILE CB . 53483 1 84 . 1 . 1 13 13 ILE N N 15 122.623 0.018 . 1 . . . . . 13 ILE N . 53483 1 85 . 1 . 1 14 14 CYS H H 1 8.494 0.001 . 1 . . . . . 14 CYS HN . 53483 1 86 . 1 . 1 14 14 CYS HA H 1 4.423 0.000 . 1 . . . . . 14 CYS HA . 53483 1 87 . 1 . 1 14 14 CYS HB2 H 1 2.822 0.000 . 1 . . . . . 14 CYS HB2 . 53483 1 88 . 1 . 1 14 14 CYS HB3 H 1 2.802 0.000 . 1 . . . . . 14 CYS HB3 . 53483 1 89 . 1 . 1 14 14 CYS C C 13 174.276 0.012 . 1 . . . . . 14 CYS CO . 53483 1 90 . 1 . 1 14 14 CYS CA C 13 58.313 0.008 . 1 . . . . . 14 CYS CA . 53483 1 91 . 1 . 1 14 14 CYS CB C 13 28.128 0.011 . 1 . . . . . 14 CYS CB . 53483 1 92 . 1 . 1 14 14 CYS N N 15 124.372 0.037 . 1 . . . . . 14 CYS N . 53483 1 93 . 1 . 1 15 15 LYS H H 1 8.500 0.001 . 1 . . . . . 15 LYS HN . 53483 1 94 . 1 . 1 15 15 LYS HA H 1 4.228 0.000 . 1 . . . . . 15 LYS HA . 53483 1 95 . 1 . 1 15 15 LYS HB2 H 1 1.722 0.000 . 1 . . . . . 15 LYS HB2 . 53483 1 96 . 1 . 1 15 15 LYS HB3 H 1 1.670 0.000 . 1 . . . . . 15 LYS HB3 . 53483 1 97 . 1 . 1 15 15 LYS C C 13 175.882 0.005 . 1 . . . . . 15 LYS CO . 53483 1 98 . 1 . 1 15 15 LYS CA C 13 56.456 0.025 . 1 . . . . . 15 LYS CA . 53483 1 99 . 1 . 1 15 15 LYS CB C 13 33.235 0.049 . 1 . . . . . 15 LYS CB . 53483 1 100 . 1 . 1 15 15 LYS N N 15 124.628 0.015 . 1 . . . . . 15 LYS N . 53483 1 101 . 1 . 1 16 16 ASN H H 1 8.506 0.002 . 1 . . . . . 16 ASN HN . 53483 1 102 . 1 . 1 16 16 ASN C C 13 173.805 0.000 . 1 . . . . . 16 ASN CO . 53483 1 103 . 1 . 1 16 16 ASN CA C 13 51.157 0.000 . 1 . . . . . 16 ASN CA . 53483 1 104 . 1 . 1 16 16 ASN CB C 13 38.870 0.000 . 1 . . . . . 16 ASN CB . 53483 1 105 . 1 . 1 16 16 ASN N N 15 121.385 0.020 . 1 . . . . . 16 ASN N . 53483 1 106 . 1 . 1 17 17 PRO HA H 1 4.322 0.000 . 1 . . . . . 17 PRO HA . 53483 1 107 . 1 . 1 17 17 PRO HB2 H 1 2.216 0.000 . 1 . . . . . 17 PRO HB2 . 53483 1 108 . 1 . 1 17 17 PRO HB3 H 1 1.915 0.000 . 1 . . . . . 17 PRO HB3 . 53483 1 109 . 1 . 1 17 17 PRO C C 13 176.800 0.003 . 1 . . . . . 17 PRO CO . 53483 1 110 . 1 . 1 17 17 PRO CA C 13 63.786 0.000 . 1 . . . . . 17 PRO CA . 53483 1 111 . 1 . 1 17 17 PRO CB C 13 32.214 0.000 . 1 . . . . . 17 PRO CB . 53483 1 112 . 1 . 1 18 18 ASP H H 1 8.277 0.001 . 1 . . . . . 18 ASP HN . 53483 1 113 . 1 . 1 18 18 ASP HA H 1 4.501 0.000 . 1 . . . . . 18 ASP HA . 53483 1 114 . 1 . 1 18 18 ASP HB2 H 1 2.682 0.000 . 1 . . . . . 18 ASP HB2 . 53483 1 115 . 1 . 1 18 18 ASP HB3 H 1 2.507 0.000 . 1 . . . . . 18 ASP HB3 . 53483 1 116 . 1 . 1 18 18 ASP C C 13 176.359 0.005 . 1 . . . . . 18 ASP CO . 53483 1 117 . 1 . 1 18 18 ASP CA C 13 54.810 0.011 . 1 . . . . . 18 ASP CA . 53483 1 118 . 1 . 1 18 18 ASP CB C 13 40.892 0.014 . 1 . . . . . 18 ASP CB . 53483 1 119 . 1 . 1 18 18 ASP N N 15 119.199 0.024 . 1 . . . . . 18 ASP N . 53483 1 120 . 1 . 1 19 19 LEU H H 1 7.858 0.001 . 1 . . . . . 19 LEU HN . 53483 1 121 . 1 . 1 19 19 LEU HA H 1 4.251 0.000 . 1 . . . . . 19 LEU HA . 53483 1 122 . 1 . 1 19 19 LEU HB2 H 1 1.565 0.000 . 1 . . . . . 19 LEU HB2 . 53483 1 123 . 1 . 1 19 19 LEU HB3 H 1 1.518 0.000 . 1 . . . . . 19 LEU HB3 . 53483 1 124 . 1 . 1 19 19 LEU C C 13 177.309 0.005 . 1 . . . . . 19 LEU CO . 53483 1 125 . 1 . 1 19 19 LEU CA C 13 55.113 0.025 . 1 . . . . . 19 LEU CA . 53483 1 126 . 1 . 1 19 19 LEU CB C 13 42.461 0.010 . 1 . . . . . 19 LEU CB . 53483 1 127 . 1 . 1 19 19 LEU N N 15 121.163 0.015 . 1 . . . . . 19 LEU N . 53483 1 128 . 1 . 1 20 20 GLU H H 1 8.161 0.001 . 1 . . . . . 20 GLU HN . 53483 1 129 . 1 . 1 20 20 GLU HA H 1 4.131 0.000 . 1 . . . . . 20 GLU HA . 53483 1 130 . 1 . 1 20 20 GLU HB2 H 1 1.851 0.000 . 1 . . . . . 20 GLU HB2 . 53483 1 131 . 1 . 1 20 20 GLU HB3 H 1 1.816 0.000 . 1 . . . . . 20 GLU HB3 . 53483 1 132 . 1 . 1 20 20 GLU C C 13 176.351 0.007 . 1 . . . . . 20 GLU CO . 53483 1 133 . 1 . 1 20 20 GLU CA C 13 56.702 0.008 . 1 . . . . . 20 GLU CA . 53483 1 134 . 1 . 1 20 20 GLU CB C 13 30.182 0.007 . 1 . . . . . 20 GLU CB . 53483 1 135 . 1 . 1 20 20 GLU N N 15 120.890 0.011 . 1 . . . . . 20 GLU N . 53483 1 136 . 1 . 1 21 21 PHE H H 1 8.140 0.001 . 1 . . . . . 21 PHE HN . 53483 1 137 . 1 . 1 21 21 PHE HA H 1 4.506 0.000 . 1 . . . . . 21 PHE HA . 53483 1 138 . 1 . 1 21 21 PHE HB2 H 1 3.089 0.000 . 1 . . . . . 21 PHE HB2 . 53483 1 139 . 1 . 1 21 21 PHE HB3 H 1 2.956 0.000 . 1 . . . . . 21 PHE HB3 . 53483 1 140 . 1 . 1 21 21 PHE C C 13 175.626 0.009 . 1 . . . . . 21 PHE CO . 53483 1 141 . 1 . 1 21 21 PHE CA C 13 57.988 0.009 . 1 . . . . . 21 PHE CA . 53483 1 142 . 1 . 1 21 21 PHE CB C 13 39.780 0.008 . 1 . . . . . 21 PHE CB . 53483 1 143 . 1 . 1 21 21 PHE N N 15 120.506 0.012 . 1 . . . . . 21 PHE N . 53483 1 144 . 1 . 1 22 22 ASP H H 1 8.316 0.001 . 1 . . . . . 22 ASP HN . 53483 1 145 . 1 . 1 22 22 ASP HA H 1 4.505 0.000 . 1 . . . . . 22 ASP HA . 53483 1 146 . 1 . 1 22 22 ASP HB2 H 1 2.615 0.000 . 1 . . . . . 22 ASP HB2 . 53483 1 147 . 1 . 1 22 22 ASP HB3 H 1 2.544 0.000 . 1 . . . . . 22 ASP HB3 . 53483 1 148 . 1 . 1 22 22 ASP C C 13 176.332 0.006 . 1 . . . . . 22 ASP CO . 53483 1 149 . 1 . 1 22 22 ASP CA C 13 54.380 0.013 . 1 . . . . . 22 ASP CA . 53483 1 150 . 1 . 1 22 22 ASP CB C 13 41.238 0.003 . 1 . . . . . 22 ASP CB . 53483 1 151 . 1 . 1 22 22 ASP N N 15 121.947 0.021 . 1 . . . . . 22 ASP N . 53483 1 152 . 1 . 1 23 23 SER H H 1 8.158 0.002 . 1 . . . . . 23 SER HN . 53483 1 153 . 1 . 1 23 23 SER HA H 1 4.262 0.000 . 1 . . . . . 23 SER HA . 53483 1 154 . 1 . 1 23 23 SER HB2 H 1 3.832 0.000 . 1 . . . . . 23 SER HB2 . 53483 1 155 . 1 . 1 23 23 SER HB3 H 1 3.791 0.000 . 1 . . . . . 23 SER HB3 . 53483 1 156 . 1 . 1 23 23 SER C C 13 174.583 0.005 . 1 . . . . . 23 SER CO . 53483 1 157 . 1 . 1 23 23 SER CA C 13 58.760 0.007 . 1 . . . . . 23 SER CA . 53483 1 158 . 1 . 1 23 23 SER CB C 13 63.767 0.022 . 1 . . . . . 23 SER CB . 53483 1 159 . 1 . 1 23 23 SER N N 15 116.218 0.022 . 1 . . . . . 23 SER N . 53483 1 160 . 1 . 1 24 24 LEU H H 1 8.206 0.001 . 1 . . . . . 24 LEU HN . 53483 1 161 . 1 . 1 24 24 LEU HA H 1 4.282 0.000 . 1 . . . . . 24 LEU HA . 53483 1 162 . 1 . 1 24 24 LEU HB2 H 1 1.632 0.000 . 1 . . . . . 24 LEU HB2 . 53483 1 163 . 1 . 1 24 24 LEU HB3 H 1 1.503 0.000 . 1 . . . . . 24 LEU HB3 . 53483 1 164 . 1 . 1 24 24 LEU C C 13 177.279 0.008 . 1 . . . . . 24 LEU CO . 53483 1 165 . 1 . 1 24 24 LEU CA C 13 55.186 0.013 . 1 . . . . . 24 LEU CA . 53483 1 166 . 1 . 1 24 24 LEU CB C 13 42.102 0.021 . 1 . . . . . 24 LEU CB . 53483 1 167 . 1 . 1 24 24 LEU N N 15 123.153 0.031 . 1 . . . . . 24 LEU N . 53483 1 168 . 1 . 1 25 25 GLN H H 1 8.148 0.001 . 1 . . . . . 25 GLN HN . 53483 1 169 . 1 . 1 25 25 GLN C C 13 173.876 0.000 . 1 . . . . . 25 GLN CO . 53483 1 170 . 1 . 1 25 25 GLN CA C 13 53.609 0.000 . 1 . . . . . 25 GLN CA . 53483 1 171 . 1 . 1 25 25 GLN CB C 13 29.000 0.000 . 1 . . . . . 25 GLN CB . 53483 1 172 . 1 . 1 25 25 GLN N N 15 121.770 0.019 . 1 . . . . . 25 GLN N . 53483 1 173 . 1 . 1 26 26 PRO HA H 1 4.265 0.000 . 1 . . . . . 26 PRO HA . 53483 1 174 . 1 . 1 26 26 PRO HB2 H 1 2.126 0.000 . 1 . . . . . 26 PRO HB2 . 53483 1 175 . 1 . 1 26 26 PRO HB3 H 1 1.678 0.000 . 1 . . . . . 26 PRO HB3 . 53483 1 176 . 1 . 1 26 26 PRO C C 13 176.524 0.003 . 1 . . . . . 26 PRO CO . 53483 1 177 . 1 . 1 26 26 PRO CA C 13 63.152 0.008 . 1 . . . . . 26 PRO CA . 53483 1 178 . 1 . 1 26 26 PRO CB C 13 32.219 0.000 . 1 . . . . . 26 PRO CB . 53483 1 179 . 1 . 1 27 27 CYS H H 1 8.316 0.002 . 1 . . . . . 27 CYS HN . 53483 1 180 . 1 . 1 27 27 CYS HA H 1 4.293 0.000 . 1 . . . . . 27 CYS HA . 53483 1 181 . 1 . 1 27 27 CYS HB2 H 1 2.703 0.000 . 1 . . . . . 27 CYS HB2 . 53483 1 182 . 1 . 1 27 27 CYS HB3 H 1 2.648 0.000 . 1 . . . . . 27 CYS HB3 . 53483 1 183 . 1 . 1 27 27 CYS C C 13 173.665 0.007 . 1 . . . . . 27 CYS CO . 53483 1 184 . 1 . 1 27 27 CYS CA C 13 58.342 0.017 . 1 . . . . . 27 CYS CA . 53483 1 185 . 1 . 1 27 27 CYS CB C 13 28.190 0.014 . 1 . . . . . 27 CYS CB . 53483 1 186 . 1 . 1 27 27 CYS N N 15 119.185 0.021 . 1 . . . . . 27 CYS N . 53483 1 187 . 1 . 1 28 28 PHE H H 1 8.167 0.001 . 1 . . . . . 28 PHE HN . 53483 1 188 . 1 . 1 28 28 PHE HA H 1 4.531 0.000 . 1 . . . . . 28 PHE HA . 53483 1 189 . 1 . 1 28 28 PHE HB2 H 1 2.889 0.000 . 1 . . . . . 28 PHE HB2 . 53483 1 190 . 1 . 1 28 28 PHE HB3 H 1 2.849 0.000 . 1 . . . . . 28 PHE HB3 . 53483 1 191 . 1 . 1 28 28 PHE C C 13 174.520 0.027 . 1 . . . . . 28 PHE CO . 53483 1 192 . 1 . 1 28 28 PHE CA C 13 57.468 0.006 . 1 . . . . . 28 PHE CA . 53483 1 193 . 1 . 1 28 28 PHE CB C 13 40.163 0.019 . 1 . . . . . 28 PHE CB . 53483 1 194 . 1 . 1 28 28 PHE N N 15 122.845 0.021 . 1 . . . . . 28 PHE N . 53483 1 195 . 1 . 1 29 29 TYR H H 1 8.211 0.001 . 1 . . . . . 29 TYR HN . 53483 1 196 . 1 . 1 29 29 TYR C C 13 173.518 0.000 . 1 . . . . . 29 TYR CO . 53483 1 197 . 1 . 1 29 29 TYR CA C 13 57.998 0.000 . 1 . . . . . 29 TYR CA . 53483 1 198 . 1 . 1 29 29 TYR CB C 13 38.681 0.000 . 1 . . . . . 29 TYR CB . 53483 1 199 . 1 . 1 29 29 TYR N N 15 123.486 0.032 . 1 . . . . . 29 TYR N . 53483 1 200 . 1 . 1 30 30 PRO HA H 1 4.255 0.000 . 1 . . . . . 30 PRO HA . 53483 1 201 . 1 . 1 30 30 PRO HB2 H 1 2.168 0.000 . 1 . . . . . 30 PRO HB2 . 53483 1 202 . 1 . 1 30 30 PRO HB3 H 1 1.851 0.000 . 1 . . . . . 30 PRO HB3 . 53483 1 203 . 1 . 1 30 30 PRO C C 13 176.547 0.000 . 1 . . . . . 30 PRO CO . 53483 1 204 . 1 . 1 30 30 PRO CA C 13 63.121 0.009 . 1 . . . . . 30 PRO CA . 53483 1 205 . 1 . 1 30 30 PRO CB C 13 32.194 0.000 . 1 . . . . . 30 PRO CB . 53483 1 206 . 1 . 1 31 31 ASP H H 1 8.425 0.001 . 1 . . . . . 31 ASP HN . 53483 1 207 . 1 . 1 31 31 ASP HA H 1 4.511 0.000 . 1 . . . . . 31 ASP HA . 53483 1 208 . 1 . 1 31 31 ASP HB2 H 1 2.675 0.000 . 1 . . . . . 31 ASP HB2 . 53483 1 209 . 1 . 1 31 31 ASP HB3 H 1 2.550 0.000 . 1 . . . . . 31 ASP HB3 . 53483 1 210 . 1 . 1 31 31 ASP C C 13 176.473 0.022 . 1 . . . . . 31 ASP CO . 53483 1 211 . 1 . 1 31 31 ASP CA C 13 54.472 0.008 . 1 . . . . . 31 ASP CA . 53483 1 212 . 1 . 1 31 31 ASP CB C 13 41.234 0.010 . 1 . . . . . 31 ASP CB . 53483 1 213 . 1 . 1 31 31 ASP N N 15 120.286 0.013 . 1 . . . . . 31 ASP N . 53483 1 214 . 1 . 1 32 32 GLU H H 1 8.335 0.001 . 1 . . . . . 32 GLU HN . 53483 1 215 . 1 . 1 32 32 GLU HA H 1 4.169 0.000 . 1 . . . . . 32 GLU HA . 53483 1 216 . 1 . 1 32 32 GLU HB2 H 1 2.006 0.000 . 1 . . . . . 32 GLU HB2 . 53483 1 217 . 1 . 1 32 32 GLU HB3 H 1 1.869 0.000 . 1 . . . . . 32 GLU HB3 . 53483 1 218 . 1 . 1 32 32 GLU C C 13 176.425 0.003 . 1 . . . . . 32 GLU CO . 53483 1 219 . 1 . 1 32 32 GLU CA C 13 56.773 0.013 . 1 . . . . . 32 GLU CA . 53483 1 220 . 1 . 1 32 32 GLU CB C 13 30.422 0.014 . 1 . . . . . 32 GLU CB . 53483 1 221 . 1 . 1 32 32 GLU N N 15 120.833 0.012 . 1 . . . . . 32 GLU N . 53483 1 222 . 1 . 1 33 33 ASP H H 1 8.377 0.001 . 1 . . . . . 33 ASP HN . 53483 1 223 . 1 . 1 33 33 ASP HA H 1 4.503 0.000 . 1 . . . . . 33 ASP HA . 53483 1 224 . 1 . 1 33 33 ASP HB2 H 1 2.562 0.026 . 1 . . . . . 33 ASP HB2 . 53483 1 225 . 1 . 1 33 33 ASP HB3 H 1 2.552 0.000 . 1 . . . . . 33 ASP HB3 . 53483 1 226 . 1 . 1 33 33 ASP C C 13 176.155 0.009 . 1 . . . . . 33 ASP CO . 53483 1 227 . 1 . 1 33 33 ASP CA C 13 54.734 0.004 . 1 . . . . . 33 ASP CA . 53483 1 228 . 1 . 1 33 33 ASP CB C 13 41.319 0.022 . 1 . . . . . 33 ASP CB . 53483 1 229 . 1 . 1 33 33 ASP N N 15 120.926 0.019 . 1 . . . . . 33 ASP N . 53483 1 230 . 1 . 1 34 34 ASP H H 1 8.206 0.001 . 1 . . . . . 34 ASP HN . 53483 1 231 . 1 . 1 34 34 ASP HA H 1 4.450 0.000 . 1 . . . . . 34 ASP HA . 53483 1 232 . 1 . 1 34 34 ASP HB3 H 1 2.495 0.000 . 1 . . . . . 34 ASP HB3 . 53483 1 233 . 1 . 1 34 34 ASP C C 13 176.136 0.004 . 1 . . . . . 34 ASP CO . 53483 1 234 . 1 . 1 34 34 ASP CA C 13 54.542 0.001 . 1 . . . . . 34 ASP CA . 53483 1 235 . 1 . 1 34 34 ASP CB C 13 41.154 0.020 . 1 . . . . . 34 ASP CB . 53483 1 236 . 1 . 1 34 34 ASP N N 15 120.383 0.011 . 1 . . . . . 34 ASP N . 53483 1 237 . 1 . 1 35 35 PHE H H 1 8.117 0.001 . 1 . . . . . 35 PHE HN . 53483 1 238 . 1 . 1 35 35 PHE HA H 1 4.364 0.000 . 1 . . . . . 35 PHE HA . 53483 1 239 . 1 . 1 35 35 PHE HB2 H 1 2.878 0.000 . 1 . . . . . 35 PHE HB2 . 53483 1 240 . 1 . 1 35 35 PHE HB3 H 1 2.849 0.000 . 1 . . . . . 35 PHE HB3 . 53483 1 241 . 1 . 1 35 35 PHE C C 13 175.419 0.003 . 1 . . . . . 35 PHE CO . 53483 1 242 . 1 . 1 35 35 PHE CA C 13 58.191 0.028 . 1 . . . . . 35 PHE CA . 53483 1 243 . 1 . 1 35 35 PHE CB C 13 39.650 0.010 . 1 . . . . . 35 PHE CB . 53483 1 244 . 1 . 1 35 35 PHE N N 15 120.504 0.016 . 1 . . . . . 35 PHE N . 53483 1 245 . 1 . 1 36 36 TYR H H 1 7.988 0.001 . 1 . . . . . 36 TYR HN . 53483 1 246 . 1 . 1 36 36 TYR HA H 1 4.340 0.000 . 1 . . . . . 36 TYR HA . 53483 1 247 . 1 . 1 36 36 TYR HB2 H 1 2.793 0.000 . 1 . . . . . 36 TYR HB2 . 53483 1 248 . 1 . 1 36 36 TYR HB3 H 1 2.765 0.000 . 1 . . . . . 36 TYR HB3 . 53483 1 249 . 1 . 1 36 36 TYR C C 13 175.272 0.011 . 1 . . . . . 36 TYR CO . 53483 1 250 . 1 . 1 36 36 TYR CA C 13 58.116 0.022 . 1 . . . . . 36 TYR CA . 53483 1 251 . 1 . 1 36 36 TYR CB C 13 38.875 0.014 . 1 . . . . . 36 TYR CB . 53483 1 252 . 1 . 1 36 36 TYR N N 15 121.310 0.012 . 1 . . . . . 36 TYR N . 53483 1 253 . 1 . 1 37 37 PHE H H 1 8.112 0.000 . 1 . . . . . 37 PHE HN . 53483 1 254 . 1 . 1 37 37 PHE HA H 1 4.437 0.000 . 1 . . . . . 37 PHE HA . 53483 1 255 . 1 . 1 37 37 PHE HB2 H 1 3.044 0.000 . 1 . . . . . 37 PHE HB2 . 53483 1 256 . 1 . 1 37 37 PHE HB3 H 1 2.895 0.000 . 1 . . . . . 37 PHE HB3 . 53483 1 257 . 1 . 1 37 37 PHE C C 13 175.850 0.005 . 1 . . . . . 37 PHE CO . 53483 1 258 . 1 . 1 37 37 PHE CA C 13 57.928 0.019 . 1 . . . . . 37 PHE CA . 53483 1 259 . 1 . 1 37 37 PHE CB C 13 39.515 0.013 . 1 . . . . . 37 PHE CB . 53483 1 260 . 1 . 1 37 37 PHE N N 15 122.594 0.014 . 1 . . . . . 37 PHE N . 53483 1 261 . 1 . 1 38 38 GLY H H 1 7.783 0.001 . 1 . . . . . 38 GLY HN . 53483 1 262 . 1 . 1 38 38 GLY HA2 H 1 3.780 0.001 . 1 . . . . . 38 GLY HA . 53483 1 263 . 1 . 1 38 38 GLY HA3 H 1 3.780 0.001 . 1 . . . . . 38 GLY HA . 53483 1 264 . 1 . 1 38 38 GLY C C 13 174.104 0.029 . 1 . . . . . 38 GLY CO . 53483 1 265 . 1 . 1 38 38 GLY CA C 13 45.209 0.013 . 1 . . . . . 38 GLY CA . 53483 1 266 . 1 . 1 38 38 GLY N N 15 110.223 0.020 . 1 . . . . . 38 GLY N . 53483 1 267 . 1 . 1 39 39 GLY H H 1 7.765 0.000 . 1 . . . . . 39 GLY HN . 53483 1 268 . 1 . 1 39 39 GLY C C 13 172.272 0.000 . 1 . . . . . 39 GLY CO . 53483 1 269 . 1 . 1 39 39 GLY CA C 13 44.731 0.000 . 1 . . . . . 39 GLY CA . 53483 1 270 . 1 . 1 39 39 GLY N N 15 108.302 0.041 . 1 . . . . . 39 GLY N . 53483 1 271 . 1 . 1 40 40 PRO HA H 1 4.341 0.000 . 1 . . . . . 40 PRO HA . 53483 1 272 . 1 . 1 40 40 PRO HB2 H 1 2.200 0.000 . 1 . . . . . 40 PRO HB2 . 53483 1 273 . 1 . 1 40 40 PRO HB3 H 1 1.897 0.000 . 1 . . . . . 40 PRO HB3 . 53483 1 274 . 1 . 1 40 40 PRO C C 13 177.070 0.005 . 1 . . . . . 40 PRO CO . 53483 1 275 . 1 . 1 40 40 PRO CA C 13 63.672 0.000 . 1 . . . . . 40 PRO CA . 53483 1 276 . 1 . 1 40 40 PRO CB C 13 32.183 0.024 . 1 . . . . . 40 PRO CB . 53483 1 277 . 1 . 1 41 41 ASP H H 1 8.496 0.001 . 1 . . . . . 41 ASP HN . 53483 1 278 . 1 . 1 41 41 ASP HA H 1 4.568 0.000 . 1 . . . . . 41 ASP HA . 53483 1 279 . 1 . 1 41 41 ASP HB2 H 1 2.683 0.000 . 1 . . . . . 41 ASP HB2 . 53483 1 280 . 1 . 1 41 41 ASP HB3 H 1 2.560 0.000 . 1 . . . . . 41 ASP HB3 . 53483 1 281 . 1 . 1 41 41 ASP C C 13 176.255 0.008 . 1 . . . . . 41 ASP CO . 53483 1 282 . 1 . 1 41 41 ASP CA C 13 54.389 0.033 . 1 . . . . . 41 ASP CA . 53483 1 283 . 1 . 1 41 41 ASP CB C 13 40.983 0.016 . 1 . . . . . 41 ASP CB . 53483 1 284 . 1 . 1 41 41 ASP N N 15 119.384 0.011 . 1 . . . . . 41 ASP N . 53483 1 285 . 1 . 1 42 42 SER H H 1 8.085 0.001 . 1 . . . . . 42 SER HN . 53483 1 286 . 1 . 1 42 42 SER HA H 1 4.399 0.000 . 1 . . . . . 42 SER HA . 53483 1 287 . 1 . 1 42 42 SER HB2 H 1 3.804 0.000 . 1 . . . . . 42 SER HB2 . 53483 1 288 . 1 . 1 42 42 SER HB3 H 1 3.772 0.000 . 1 . . . . . 42 SER HB3 . 53483 1 289 . 1 . 1 42 42 SER C C 13 174.327 0.013 . 1 . . . . . 42 SER CO . 53483 1 290 . 1 . 1 42 42 SER CA C 13 58.332 0.008 . 1 . . . . . 42 SER CA . 53483 1 291 . 1 . 1 42 42 SER CB C 13 63.976 0.004 . 1 . . . . . 42 SER CB . 53483 1 292 . 1 . 1 42 42 SER N N 15 115.877 0.012 . 1 . . . . . 42 SER N . 53483 1 293 . 1 . 1 43 43 THR H H 1 8.216 0.001 . 1 . . . . . 43 THR HN . 53483 1 294 . 1 . 1 43 43 THR C C 13 172.409 0.015 . 1 . . . . . 43 THR CO . 53483 1 295 . 1 . 1 43 43 THR CA C 13 60.248 0.000 . 1 . . . . . 43 THR CA . 53483 1 296 . 1 . 1 43 43 THR CB C 13 69.799 0.000 . 1 . . . . . 43 THR CB . 53483 1 297 . 1 . 1 43 43 THR N N 15 119.061 0.013 . 1 . . . . . 43 THR N . 53483 1 298 . 1 . 1 45 45 PRO HA H 1 4.343 0.000 . 1 . . . . . 45 PRO HA . 53483 1 299 . 1 . 1 45 45 PRO HB2 H 1 2.214 0.000 . 1 . . . . . 45 PRO HB2 . 53483 1 300 . 1 . 1 45 45 PRO HB3 H 1 1.869 0.000 . 1 . . . . . 45 PRO HB3 . 53483 1 301 . 1 . 1 45 45 PRO C C 13 177.632 0.005 . 1 . . . . . 45 PRO CO . 53483 1 302 . 1 . 1 45 45 PRO CA C 13 63.288 0.000 . 1 . . . . . 45 PRO CA . 53483 1 303 . 1 . 1 45 45 PRO CB C 13 32.044 0.000 . 1 . . . . . 45 PRO CB . 53483 1 304 . 1 . 1 46 46 GLY H H 1 8.467 0.001 . 1 . . . . . 46 GLY HN . 53483 1 305 . 1 . 1 46 46 GLY HA2 H 1 3.885 0.000 . 1 . . . . . 46 GLY HA . 53483 1 306 . 1 . 1 46 46 GLY HA3 H 1 3.885 0.000 . 1 . . . . . 46 GLY HA . 53483 1 307 . 1 . 1 46 46 GLY C C 13 174.267 0.006 . 1 . . . . . 46 GLY CO . 53483 1 308 . 1 . 1 46 46 GLY CA C 13 45.221 0.005 . 1 . . . . . 46 GLY CA . 53483 1 309 . 1 . 1 46 46 GLY N N 15 109.182 0.029 . 1 . . . . . 46 GLY N . 53483 1 310 . 1 . 1 47 47 GLU H H 1 8.196 0.001 . 1 . . . . . 47 GLU HN . 53483 1 311 . 1 . 1 47 47 GLU HA H 1 4.177 0.000 . 1 . . . . . 47 GLU HA . 53483 1 312 . 1 . 1 47 47 GLU HB2 H 1 1.967 0.000 . 1 . . . . . 47 GLU HB2 . 53483 1 313 . 1 . 1 47 47 GLU HB3 H 1 1.829 0.000 . 1 . . . . . 47 GLU HB3 . 53483 1 314 . 1 . 1 47 47 GLU C C 13 176.328 0.007 . 1 . . . . . 47 GLU CO . 53483 1 315 . 1 . 1 47 47 GLU CA C 13 56.552 0.023 . 1 . . . . . 47 GLU CA . 53483 1 316 . 1 . 1 47 47 GLU CB C 13 30.547 0.036 . 1 . . . . . 47 GLU CB . 53483 1 317 . 1 . 1 47 47 GLU N N 15 120.205 0.012 . 1 . . . . . 47 GLU N . 53483 1 318 . 1 . 1 48 48 ASP H H 1 8.484 0.001 . 1 . . . . . 48 ASP HN . 53483 1 319 . 1 . 1 48 48 ASP HA H 1 4.472 0.000 . 1 . . . . . 48 ASP HA . 53483 1 320 . 1 . 1 48 48 ASP HB2 H 1 2.539 0.000 . 1 . . . . . 48 ASP HB2 . 53483 1 321 . 1 . 1 48 48 ASP HB3 H 1 2.475 0.000 . 1 . . . . . 48 ASP HB3 . 53483 1 322 . 1 . 1 48 48 ASP C C 13 177.020 0.010 . 1 . . . . . 48 ASP CO . 53483 1 323 . 1 . 1 48 48 ASP CA C 13 54.392 0.020 . 1 . . . . . 48 ASP CA . 53483 1 324 . 1 . 1 48 48 ASP CB C 13 40.780 0.012 . 1 . . . . . 48 ASP CB . 53483 1 325 . 1 . 1 48 48 ASP N N 15 121.168 0.027 . 1 . . . . . 48 ASP N . 53483 1 326 . 1 . 1 49 49 ILE H H 1 7.899 0.001 . 1 . . . . . 49 ILE HN . 53483 1 327 . 1 . 1 49 49 ILE HA H 1 3.899 0.000 . 1 . . . . . 49 ILE HA . 53483 1 328 . 1 . 1 49 49 ILE HB H 1 1.688 0.000 . 1 . . . . . 49 ILE HB . 53483 1 329 . 1 . 1 49 49 ILE C C 13 176.398 0.009 . 1 . . . . . 49 ILE CO . 53483 1 330 . 1 . 1 49 49 ILE CA C 13 62.436 0.026 . 1 . . . . . 49 ILE CA . 53483 1 331 . 1 . 1 49 49 ILE CB C 13 38.265 0.011 . 1 . . . . . 49 ILE CB . 53483 1 332 . 1 . 1 49 49 ILE N N 15 120.236 0.009 . 1 . . . . . 49 ILE N . 53483 1 333 . 1 . 1 50 50 TRP H H 1 7.914 0.001 . 1 . . . . . 50 TRP HN . 53483 1 334 . 1 . 1 50 50 TRP HA H 1 4.579 0.000 . 1 . . . . . 50 TRP HA . 53483 1 335 . 1 . 1 50 50 TRP HB2 H 1 3.282 0.000 . 1 . . . . . 50 TRP HB2 . 53483 1 336 . 1 . 1 50 50 TRP HB3 H 1 3.213 0.000 . 1 . . . . . 50 TRP HB3 . 53483 1 337 . 1 . 1 50 50 TRP C C 13 176.806 0.006 . 1 . . . . . 50 TRP CO . 53483 1 338 . 1 . 1 50 50 TRP CA C 13 57.456 0.003 . 1 . . . . . 50 TRP CA . 53483 1 339 . 1 . 1 50 50 TRP CB C 13 29.112 0.027 . 1 . . . . . 50 TRP CB . 53483 1 340 . 1 . 1 50 50 TRP N N 15 121.910 0.018 . 1 . . . . . 50 TRP N . 53483 1 341 . 1 . 1 51 51 LYS H H 1 7.744 0.001 . 1 . . . . . 51 LYS HN . 53483 1 342 . 1 . 1 51 51 LYS HA H 1 4.041 0.000 . 1 . . . . . 51 LYS HA . 53483 1 343 . 1 . 1 51 51 LYS HB2 H 1 1.598 0.000 . 1 . . . . . 51 LYS HB2 . 53483 1 344 . 1 . 1 51 51 LYS HB3 H 1 1.559 0.000 . 1 . . . . . 51 LYS HB3 . 53483 1 345 . 1 . 1 51 51 LYS C C 13 176.607 0.004 . 1 . . . . . 51 LYS CO . 53483 1 346 . 1 . 1 51 51 LYS CA C 13 56.824 0.020 . 1 . . . . . 51 LYS CA . 53483 1 347 . 1 . 1 51 51 LYS CB C 13 32.725 0.016 . 1 . . . . . 51 LYS CB . 53483 1 348 . 1 . 1 51 51 LYS N N 15 121.835 0.017 . 1 . . . . . 51 LYS N . 53483 1 349 . 1 . 1 52 52 LYS H H 1 7.963 0.001 . 1 . . . . . 52 LYS HN . 53483 1 350 . 1 . 1 52 52 LYS HA H 1 4.052 0.000 . 1 . . . . . 52 LYS HA . 53483 1 351 . 1 . 1 52 52 LYS HB2 H 1 1.594 0.000 . 1 . . . . . 52 LYS HB2 . 53483 1 352 . 1 . 1 52 52 LYS HB3 H 1 1.557 0.000 . 1 . . . . . 52 LYS HB3 . 53483 1 353 . 1 . 1 52 52 LYS C C 13 176.558 0.001 . 1 . . . . . 52 LYS CO . 53483 1 354 . 1 . 1 52 52 LYS CA C 13 56.753 0.023 . 1 . . . . . 52 LYS CA . 53483 1 355 . 1 . 1 52 52 LYS CB C 13 32.785 0.003 . 1 . . . . . 52 LYS CB . 53483 1 356 . 1 . 1 52 52 LYS N N 15 120.864 0.010 . 1 . . . . . 52 LYS N . 53483 1 357 . 1 . 1 53 53 PHE H H 1 8.076 0.001 . 1 . . . . . 53 PHE HN . 53483 1 358 . 1 . 1 53 53 PHE HA H 1 4.517 0.000 . 1 . . . . . 53 PHE HA . 53483 1 359 . 1 . 1 53 53 PHE HB2 H 1 3.107 0.000 . 1 . . . . . 53 PHE HB2 . 53483 1 360 . 1 . 1 53 53 PHE HB3 H 1 2.947 0.000 . 1 . . . . . 53 PHE HB3 . 53483 1 361 . 1 . 1 53 53 PHE C C 13 175.669 0.008 . 1 . . . . . 53 PHE CO . 53483 1 362 . 1 . 1 53 53 PHE CA C 13 57.897 0.030 . 1 . . . . . 53 PHE CA . 53483 1 363 . 1 . 1 53 53 PHE CB C 13 39.510 0.023 . 1 . . . . . 53 PHE CB . 53483 1 364 . 1 . 1 53 53 PHE N N 15 120.427 0.029 . 1 . . . . . 53 PHE N . 53483 1 365 . 1 . 1 54 54 GLU H H 1 8.139 0.001 . 1 . . . . . 54 GLU HN . 53483 1 366 . 1 . 1 54 54 GLU HA H 1 4.172 0.000 . 1 . . . . . 54 GLU HA . 53483 1 367 . 1 . 1 54 54 GLU HB2 H 1 1.919 0.000 . 1 . . . . . 54 GLU HB2 . 53483 1 368 . 1 . 1 54 54 GLU HB3 H 1 1.838 0.000 . 1 . . . . . 54 GLU HB3 . 53483 1 369 . 1 . 1 54 54 GLU C C 13 175.755 0.018 . 1 . . . . . 54 GLU CO . 53483 1 370 . 1 . 1 54 54 GLU CA C 13 56.453 0.020 . 1 . . . . . 54 GLU CA . 53483 1 371 . 1 . 1 54 54 GLU CB C 13 30.581 0.024 . 1 . . . . . 54 GLU CB . 53483 1 372 . 1 . 1 54 54 GLU N N 15 122.099 0.037 . 1 . . . . . 54 GLU N . 53483 1 373 . 1 . 1 55 55 LEU H H 1 8.172 0.001 . 1 . . . . . 55 LEU HN . 53483 1 374 . 1 . 1 55 55 LEU HA H 1 4.271 0.000 . 1 . . . . . 55 LEU HA . 53483 1 375 . 1 . 1 55 55 LEU HB2 H 1 1.558 0.000 . 1 . . . . . 55 LEU HB2 . 53483 1 376 . 1 . 1 55 55 LEU HB3 H 1 1.519 0.000 . 1 . . . . . 55 LEU HB3 . 53483 1 377 . 1 . 1 55 55 LEU C C 13 176.935 0.007 . 1 . . . . . 55 LEU CO . 53483 1 378 . 1 . 1 55 55 LEU CA C 13 54.887 0.019 . 1 . . . . . 55 LEU CA . 53483 1 379 . 1 . 1 55 55 LEU CB C 13 42.429 0.015 . 1 . . . . . 55 LEU CB . 53483 1 380 . 1 . 1 55 55 LEU N N 15 122.987 0.023 . 1 . . . . . 55 LEU N . 53483 1 381 . 1 . 1 56 56 LEU H H 1 8.198 0.001 . 1 . . . . . 56 LEU HN . 53483 1 382 . 1 . 1 56 56 LEU C C 13 175.126 0.000 . 1 . . . . . 56 LEU CO . 53483 1 383 . 1 . 1 56 56 LEU CA C 13 52.879 0.000 . 1 . . . . . 56 LEU CA . 53483 1 384 . 1 . 1 56 56 LEU CB C 13 41.827 0.000 . 1 . . . . . 56 LEU CB . 53483 1 385 . 1 . 1 56 56 LEU N N 15 124.721 0.020 . 1 . . . . . 56 LEU N . 53483 1 386 . 1 . 1 57 57 PRO HA H 1 4.384 0.000 . 1 . . . . . 57 PRO HA . 53483 1 387 . 1 . 1 57 57 PRO HB2 H 1 2.190 0.000 . 1 . . . . . 57 PRO HB2 . 53483 1 388 . 1 . 1 57 57 PRO HB3 H 1 1.800 0.000 . 1 . . . . . 57 PRO HB3 . 53483 1 389 . 1 . 1 57 57 PRO C C 13 176.883 0.003 . 1 . . . . . 57 PRO CO . 53483 1 390 . 1 . 1 57 57 PRO CA C 13 62.856 0.021 . 1 . . . . . 57 PRO CA . 53483 1 391 . 1 . 1 57 57 PRO CB C 13 32.101 0.000 . 1 . . . . . 57 PRO CB . 53483 1 392 . 1 . 1 58 58 THR H H 1 8.291 0.002 . 1 . . . . . 58 THR HN . 53483 1 393 . 1 . 1 58 58 THR C C 13 172.550 0.000 . 1 . . . . . 58 THR CO . 53483 1 394 . 1 . 1 58 58 THR CA C 13 59.946 0.000 . 1 . . . . . 58 THR CA . 53483 1 395 . 1 . 1 58 58 THR CB C 13 69.798 0.000 . 1 . . . . . 58 THR CB . 53483 1 396 . 1 . 1 58 58 THR N N 15 117.643 0.015 . 1 . . . . . 58 THR N . 53483 1 397 . 1 . 1 60 60 PRO HA H 1 4.356 0.002 . 1 . . . . . 60 PRO HA . 53483 1 398 . 1 . 1 60 60 PRO HB2 H 1 2.213 0.000 . 1 . . . . . 60 PRO HB2 . 53483 1 399 . 1 . 1 60 60 PRO HB3 H 1 1.825 0.000 . 1 . . . . . 60 PRO HB3 . 53483 1 400 . 1 . 1 60 60 PRO C C 13 176.840 0.003 . 1 . . . . . 60 PRO CO . 53483 1 401 . 1 . 1 60 60 PRO CA C 13 62.705 0.013 . 1 . . . . . 60 PRO CA . 53483 1 402 . 1 . 1 60 60 PRO CB C 13 32.081 0.000 . 1 . . . . . 60 PRO CB . 53483 1 403 . 1 . 1 61 61 LEU H H 1 8.367 0.001 . 1 . . . . . 61 LEU HN . 53483 1 404 . 1 . 1 61 61 LEU HA H 1 4.249 0.000 . 1 . . . . . 61 LEU HA . 53483 1 405 . 1 . 1 61 61 LEU HB2 H 1 1.556 0.000 . 1 . . . . . 61 LEU HB2 . 53483 1 406 . 1 . 1 61 61 LEU HB3 H 1 1.479 0.000 . 1 . . . . . 61 LEU HB3 . 53483 1 407 . 1 . 1 61 61 LEU C C 13 177.423 0.006 . 1 . . . . . 61 LEU CO . 53483 1 408 . 1 . 1 61 61 LEU CA C 13 55.104 0.011 . 1 . . . . . 61 LEU CA . 53483 1 409 . 1 . 1 61 61 LEU CB C 13 42.444 0.002 . 1 . . . . . 61 LEU CB . 53483 1 410 . 1 . 1 61 61 LEU N N 15 122.267 0.018 . 1 . . . . . 61 LEU N . 53483 1 411 . 1 . 1 62 62 SER H H 1 8.369 0.001 . 1 . . . . . 62 SER HN . 53483 1 412 . 1 . 1 62 62 SER C C 13 172.903 0.000 . 1 . . . . . 62 SER CO . 53483 1 413 . 1 . 1 62 62 SER CA C 13 56.375 0.000 . 1 . . . . . 62 SER CA . 53483 1 414 . 1 . 1 62 62 SER CB C 13 63.446 0.000 . 1 . . . . . 62 SER CB . 53483 1 415 . 1 . 1 62 62 SER N N 15 118.056 0.009 . 1 . . . . . 62 SER N . 53483 1 416 . 1 . 1 63 63 PRO HA H 1 4.383 0.000 . 1 . . . . . 63 PRO HA . 53483 1 417 . 1 . 1 63 63 PRO HB2 H 1 2.226 0.000 . 1 . . . . . 63 PRO HB2 . 53483 1 418 . 1 . 1 63 63 PRO HB3 H 1 1.869 0.000 . 1 . . . . . 63 PRO HB3 . 53483 1 419 . 1 . 1 63 63 PRO C C 13 177.118 0.000 . 1 . . . . . 63 PRO CO . 53483 1 420 . 1 . 1 63 63 PRO CA C 13 63.361 0.000 . 1 . . . . . 63 PRO CA . 53483 1 421 . 1 . 1 63 63 PRO CB C 13 32.129 0.000 . 1 . . . . . 63 PRO CB . 53483 1 422 . 1 . 1 64 64 SER H H 1 8.402 0.001 . 1 . . . . . 64 SER HN . 53483 1 423 . 1 . 1 64 64 SER HA H 1 4.339 0.000 . 1 . . . . . 64 SER HA . 53483 1 424 . 1 . 1 64 64 SER HB2 H 1 3.794 0.000 . 1 . . . . . 64 SER HB . 53483 1 425 . 1 . 1 64 64 SER HB3 H 1 3.794 0.000 . 1 . . . . . 64 SER HB . 53483 1 426 . 1 . 1 64 64 SER C C 13 174.781 0.004 . 1 . . . . . 64 SER CO . 53483 1 427 . 1 . 1 64 64 SER CA C 13 58.445 0.006 . 1 . . . . . 64 SER CA . 53483 1 428 . 1 . 1 64 64 SER CB C 13 63.659 0.021 . 1 . . . . . 64 SER CB . 53483 1 429 . 1 . 1 64 64 SER N N 15 116.089 0.019 . 1 . . . . . 64 SER N . 53483 1 430 . 1 . 1 65 65 ARG H H 1 8.379 0.001 . 1 . . . . . 65 ARG HN . 53483 1 431 . 1 . 1 65 65 ARG HA H 1 4.266 0.000 . 1 . . . . . 65 ARG HA . 53483 1 432 . 1 . 1 65 65 ARG HB2 H 1 1.789 0.000 . 1 . . . . . 65 ARG HB2 . 53483 1 433 . 1 . 1 65 65 ARG HB3 H 1 1.680 0.000 . 1 . . . . . 65 ARG HB3 . 53483 1 434 . 1 . 1 65 65 ARG C C 13 176.640 0.003 . 1 . . . . . 65 ARG CO . 53483 1 435 . 1 . 1 65 65 ARG CA C 13 56.263 0.028 . 1 . . . . . 65 ARG CA . 53483 1 436 . 1 . 1 65 65 ARG CB C 13 30.785 0.015 . 1 . . . . . 65 ARG CB . 53483 1 437 . 1 . 1 65 65 ARG N N 15 123.010 0.020 . 1 . . . . . 65 ARG N . 53483 1 438 . 1 . 1 66 66 GLY H H 1 8.378 0.001 . 1 . . . . . 66 GLY HN . 53483 1 439 . 1 . 1 66 66 GLY HA2 H 1 3.806 0.000 . 1 . . . . . 66 GLY HA . 53483 1 440 . 1 . 1 66 66 GLY HA3 H 1 3.806 0.000 . 1 . . . . . 66 GLY HA . 53483 1 441 . 1 . 1 66 66 GLY C C 13 173.665 0.006 . 1 . . . . . 66 GLY CO . 53483 1 442 . 1 . 1 66 66 GLY CA C 13 45.115 0.005 . 1 . . . . . 66 GLY CA . 53483 1 443 . 1 . 1 66 66 GLY N N 15 109.646 0.014 . 1 . . . . . 66 GLY N . 53483 1 444 . 1 . 1 67 67 PHE H H 1 8.083 0.002 . 1 . . . . . 67 PHE HN . 53483 1 445 . 1 . 1 67 67 PHE HA H 1 4.543 0.000 . 1 . . . . . 67 PHE HA . 53483 1 446 . 1 . 1 67 67 PHE HB2 H 1 3.087 0.000 . 1 . . . . . 67 PHE HB2 . 53483 1 447 . 1 . 1 67 67 PHE HB3 H 1 2.957 0.000 . 1 . . . . . 67 PHE HB3 . 53483 1 448 . 1 . 1 67 67 PHE C C 13 175.308 0.005 . 1 . . . . . 67 PHE CO . 53483 1 449 . 1 . 1 67 67 PHE CA C 13 57.685 0.022 . 1 . . . . . 67 PHE CA . 53483 1 450 . 1 . 1 67 67 PHE CB C 13 39.814 0.009 . 1 . . . . . 67 PHE CB . 53483 1 451 . 1 . 1 67 67 PHE N N 15 119.860 0.013 . 1 . . . . . 67 PHE N . 53483 1 452 . 1 . 1 68 68 ALA H H 1 8.273 0.001 . 1 . . . . . 68 ALA HN . 53483 1 453 . 1 . 1 68 68 ALA HA H 1 4.258 0.000 . 1 . . . . . 68 ALA HA . 53483 1 454 . 1 . 1 68 68 ALA HB1 H 1 1.278 0.000 . 1 . . . . . 68 ALA HB . 53483 1 455 . 1 . 1 68 68 ALA HB2 H 1 1.278 0.000 . 1 . . . . . 68 ALA HB . 53483 1 456 . 1 . 1 68 68 ALA HB3 H 1 1.278 0.000 . 1 . . . . . 68 ALA HB . 53483 1 457 . 1 . 1 68 68 ALA C C 13 176.328 0.005 . 1 . . . . . 68 ALA CO . 53483 1 458 . 1 . 1 68 68 ALA CA C 13 52.290 0.014 . 1 . . . . . 68 ALA CA . 53483 1 459 . 1 . 1 68 68 ALA CB C 13 19.506 0.018 . 1 . . . . . 68 ALA CB . 53483 1 460 . 1 . 1 68 68 ALA N N 15 125.999 0.018 . 1 . . . . . 68 ALA N . 53483 1 461 . 1 . 1 69 69 GLU H H 1 7.882 0.001 . 1 . . . . . 69 GLU HN . 53483 1 462 . 1 . 1 69 69 GLU C C 13 174.571 0.000 . 1 . . . . . 69 GLU CO . 53483 1 463 . 1 . 1 69 69 GLU CA C 13 57.976 0.000 . 1 . . . . . 69 GLU CA . 53483 1 464 . 1 . 1 69 69 GLU CB C 13 31.235 0.000 . 1 . . . . . 69 GLU CB . 53483 1 465 . 1 . 1 69 69 GLU N N 15 125.515 0.008 . 1 . . . . . 69 GLU N . 53483 1 stop_ save_