################################### # 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 15678 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15678 1 3 '3D CBCA(CO)NH' . . . 15678 1 6 '3D HNCACB' . . . 15678 1 8 '3D HCCH-TOCSY' . . . 15678 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 3 $SPARKY . . 15678 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.833 . . 1 . . . . 1 M HA . 15678 1 2 . 1 1 1 1 MET C C 13 171.118 . . 1 . . . . 1 M C . 15678 1 3 . 1 1 1 1 MET CA C 13 55.046 . . 1 . . . . 1 M CA . 15678 1 4 . 1 1 1 1 MET CB C 13 33.052 . . 1 . . . . 1 M CB . 15678 1 5 . 1 1 1 1 MET CG C 13 30.962 . . 1 . . . . 1 M CG . 15678 1 6 . 1 1 2 2 GLU H H 1 8.600 . . 1 . . . . 2 E H . 15678 1 7 . 1 1 2 2 GLU HA H 1 4.690 . . 1 . . . . 2 E HA . 15678 1 8 . 1 1 2 2 GLU HB2 H 1 1.696 . . 2 . . . . 2 E QB . 15678 1 9 . 1 1 2 2 GLU HB3 H 1 1.696 . . 2 . . . . 2 E QB . 15678 1 10 . 1 1 2 2 GLU C C 13 174.681 . . 1 . . . . 2 E C . 15678 1 11 . 1 1 2 2 GLU CA C 13 54.499 . . 1 . . . . 2 E CA . 15678 1 12 . 1 1 2 2 GLU CB C 13 32.932 . . 1 . . . . 2 E CB . 15678 1 13 . 1 1 2 2 GLU CG C 13 35.910 . . 1 . . . . 2 E CG . 15678 1 14 . 1 1 2 2 GLU N N 15 123.472 . . 1 . . . . 2 E N . 15678 1 15 . 1 1 3 3 ILE H H 1 8.423 . . 1 . . . . 3 I H . 15678 1 16 . 1 1 3 3 ILE HA H 1 3.734 . . 1 . . . . 3 I HA . 15678 1 17 . 1 1 3 3 ILE HB H 1 1.380 . . 1 . . . . 3 I HB . 15678 1 18 . 1 1 3 3 ILE HD11 H 1 0.523 . . 1 . . . . 3 I QD1 . 15678 1 19 . 1 1 3 3 ILE HD12 H 1 0.523 . . 1 . . . . 3 I QD1 . 15678 1 20 . 1 1 3 3 ILE HD13 H 1 0.523 . . 1 . . . . 3 I QD1 . 15678 1 21 . 1 1 3 3 ILE HG12 H 1 0.683 . . 2 . . . . 3 I HG12 . 15678 1 22 . 1 1 3 3 ILE HG13 H 1 -0.066 . . 2 . . . . 3 I HG13 . 15678 1 23 . 1 1 3 3 ILE HG21 H 1 0.476 . . 1 . . . . 3 I QG2 . 15678 1 24 . 1 1 3 3 ILE HG22 H 1 0.476 . . 1 . . . . 3 I QG2 . 15678 1 25 . 1 1 3 3 ILE HG23 H 1 0.476 . . 1 . . . . 3 I QG2 . 15678 1 26 . 1 1 3 3 ILE C C 13 176.653 . . 1 . . . . 3 I C . 15678 1 27 . 1 1 3 3 ILE CA C 13 61.865 . . 1 . . . . 3 I CA . 15678 1 28 . 1 1 3 3 ILE CB C 13 38.915 . . 1 . . . . 3 I CB . 15678 1 29 . 1 1 3 3 ILE CD1 C 13 14.043 . . 1 . . . . 3 I CD1 . 15678 1 30 . 1 1 3 3 ILE CG1 C 13 26.739 . . 1 . . . . 3 I CG1 . 15678 1 31 . 1 1 3 3 ILE CG2 C 13 17.045 . . 1 . . . . 3 I CG2 . 15678 1 32 . 1 1 3 3 ILE N N 15 120.155 . . 1 . . . . 3 I N . 15678 1 33 . 1 1 4 4 ILE H H 1 8.771 . . 1 . . . . 4 I H . 15678 1 34 . 1 1 4 4 ILE HA H 1 4.168 . . 1 . . . . 4 I HA . 15678 1 35 . 1 1 4 4 ILE HB H 1 1.599 . . 1 . . . . 4 I HB . 15678 1 36 . 1 1 4 4 ILE HG12 H 1 0.797 . . 2 . . . . 4 I HG12 . 15678 1 37 . 1 1 4 4 ILE HG21 H 1 0.692 . . 1 . . . . 4 I QG2 . 15678 1 38 . 1 1 4 4 ILE HG22 H 1 0.692 . . 1 . . . . 4 I QG2 . 15678 1 39 . 1 1 4 4 ILE HG23 H 1 0.692 . . 1 . . . . 4 I QG2 . 15678 1 40 . 1 1 4 4 ILE C C 13 175.770 . . 1 . . . . 4 I C . 15678 1 41 . 1 1 4 4 ILE CA C 13 60.367 . . 1 . . . . 4 I CA . 15678 1 42 . 1 1 4 4 ILE CB C 13 37.573 . . 1 . . . . 4 I CB . 15678 1 43 . 1 1 4 4 ILE CG1 C 13 26.233 . . 1 . . . . 4 I CG1 . 15678 1 44 . 1 1 4 4 ILE CG2 C 13 16.740 . . 1 . . . . 4 I CG2 . 15678 1 45 . 1 1 4 4 ILE N N 15 125.095 . . 1 . . . . 4 I N . 15678 1 46 . 1 1 5 5 ALA H H 1 7.345 . . 1 . . . . 5 A H . 15678 1 47 . 1 1 5 5 ALA HA H 1 4.399 . . 1 . . . . 5 A HA . 15678 1 48 . 1 1 5 5 ALA HB1 H 1 1.262 . . 1 . . . . 5 A QB . 15678 1 49 . 1 1 5 5 ALA HB2 H 1 1.262 . . 1 . . . . 5 A QB . 15678 1 50 . 1 1 5 5 ALA HB3 H 1 1.262 . . 1 . . . . 5 A QB . 15678 1 51 . 1 1 5 5 ALA C C 13 174.653 . . 1 . . . . 5 A C . 15678 1 52 . 1 1 5 5 ALA CA C 13 52.266 . . 1 . . . . 5 A CA . 15678 1 53 . 1 1 5 5 ALA CB C 13 21.840 . . 1 . . . . 5 A CB . 15678 1 54 . 1 1 5 5 ALA N N 15 120.560 . . 1 . . . . 5 A N . 15678 1 55 . 1 1 6 6 ILE H H 1 8.334 . . 1 . . . . 6 I H . 15678 1 56 . 1 1 6 6 ILE HA H 1 4.750 . . 1 . . . . 6 I HA . 15678 1 57 . 1 1 6 6 ILE HB H 1 1.535 . . 1 . . . . 6 I HB . 15678 1 58 . 1 1 6 6 ILE HG12 H 1 0.839 . . 1 . . . . 6 I QG1 . 15678 1 59 . 1 1 6 6 ILE HG13 H 1 0.839 . . 1 . . . . 6 I QG1 . 15678 1 60 . 1 1 6 6 ILE HG21 H 1 0.475 . . 1 . . . . 6 I QG2 . 15678 1 61 . 1 1 6 6 ILE HG22 H 1 0.475 . . 1 . . . . 6 I QG2 . 15678 1 62 . 1 1 6 6 ILE HG23 H 1 0.475 . . 1 . . . . 6 I QG2 . 15678 1 63 . 1 1 6 6 ILE C C 13 175.443 . . 1 . . . . 6 I C . 15678 1 64 . 1 1 6 6 ILE CA C 13 61.130 . . 1 . . . . 6 I CA . 15678 1 65 . 1 1 6 6 ILE CB C 13 40.099 . . 1 . . . . 6 I CB . 15678 1 66 . 1 1 6 6 ILE CD1 C 13 13.245 . . 1 . . . . 6 I CD1 . 15678 1 67 . 1 1 6 6 ILE CG1 C 13 28.037 . . 1 . . . . 6 I CG1 . 15678 1 68 . 1 1 6 6 ILE CG2 C 13 17.348 . . 1 . . . . 6 I CG2 . 15678 1 69 . 1 1 6 6 ILE N N 15 120.885 . . 1 . . . . 6 I N . 15678 1 70 . 1 1 7 7 SER H H 1 9.218 . . 1 . . . . 7 S H . 15678 1 71 . 1 1 7 7 SER HA H 1 4.774 . . 1 . . . . 7 S HA . 15678 1 72 . 1 1 7 7 SER HB2 H 1 3.700 . . 2 . . . . 7 S HB2 . 15678 1 73 . 1 1 7 7 SER HB3 H 1 3.557 . . 2 . . . . 7 S HB3 . 15678 1 74 . 1 1 7 7 SER C C 13 172.514 . . 1 . . . . 7 S C . 15678 1 75 . 1 1 7 7 SER CA C 13 56.859 . . 1 . . . . 7 S CA . 15678 1 76 . 1 1 7 7 SER CB C 13 65.920 . . 1 . . . . 7 S CB . 15678 1 77 . 1 1 7 7 SER N N 15 121.117 . . 1 . . . . 7 S N . 15678 1 78 . 1 1 8 8 GLU H H 1 8.508 . . 1 . . . . 8 E H . 15678 1 79 . 1 1 8 8 GLU HA H 1 4.566 . . 1 . . . . 8 E HA . 15678 1 80 . 1 1 8 8 GLU HB2 H 1 2.040 . . 2 . . . . 8 E HB2 . 15678 1 81 . 1 1 8 8 GLU HB3 H 1 1.868 . . 2 . . . . 8 E HB3 . 15678 1 82 . 1 1 8 8 GLU HG2 H 1 2.158 . . 2 . . . . 8 E QG . 15678 1 83 . 1 1 8 8 GLU HG3 H 1 2.158 . . 2 . . . . 8 E QG . 15678 1 84 . 1 1 8 8 GLU C C 13 176.191 . . 1 . . . . 8 E C . 15678 1 85 . 1 1 8 8 GLU CA C 13 56.668 . . 1 . . . . 8 E CA . 15678 1 86 . 1 1 8 8 GLU CB C 13 30.810 . . 1 . . . . 8 E CB . 15678 1 87 . 1 1 8 8 GLU CG C 13 36.681 . . 1 . . . . 8 E CG . 15678 1 88 . 1 1 8 8 GLU N N 15 122.583 . . 1 . . . . 8 E N . 15678 1 89 . 1 1 9 9 THR H H 1 8.579 . . 1 . . . . 9 T H . 15678 1 90 . 1 1 9 9 THR HA H 1 4.894 . . 1 . . . . 9 T HA . 15678 1 91 . 1 1 9 9 THR HB H 1 4.430 . . 1 . . . . 9 T HB . 15678 1 92 . 1 1 9 9 THR HG21 H 1 1.064 . . 1 . . . . 9 T QG2 . 15678 1 93 . 1 1 9 9 THR HG22 H 1 1.064 . . 1 . . . . 9 T QG2 . 15678 1 94 . 1 1 9 9 THR HG23 H 1 1.064 . . 1 . . . . 9 T QG2 . 15678 1 95 . 1 1 9 9 THR CA C 13 60.305 . . 1 . . . . 9 T CA . 15678 1 96 . 1 1 9 9 THR CB C 13 69.397 . . 1 . . . . 9 T CB . 15678 1 97 . 1 1 9 9 THR N N 15 112.311 . . 1 . . . . 9 T N . 15678 1 98 . 1 1 10 10 PRO HA H 1 4.343 . . 1 . . . . 10 P HA . 15678 1 99 . 1 1 10 10 PRO HB2 H 1 2.389 . . 2 . . . . 10 P HB2 . 15678 1 100 . 1 1 10 10 PRO HB3 H 1 1.765 . . 2 . . . . 10 P HB3 . 15678 1 101 . 1 1 10 10 PRO C C 13 175.905 . . 1 . . . . 10 P C . 15678 1 102 . 1 1 10 10 PRO CA C 13 64.295 . . 1 . . . . 10 P CA . 15678 1 103 . 1 1 10 10 PRO CB C 13 31.964 . . 1 . . . . 10 P CB . 15678 1 104 . 1 1 10 10 PRO CD C 13 51.210 . . 1 . . . . 10 P CD . 15678 1 105 . 1 1 10 10 PRO CG C 13 27.813 . . 1 . . . . 10 P CG . 15678 1 106 . 1 1 11 11 ASN H H 1 7.617 . . 1 . . . . 11 N H . 15678 1 107 . 1 1 11 11 ASN HA H 1 4.901 . . 1 . . . . 11 N HA . 15678 1 108 . 1 1 11 11 ASN HB2 H 1 2.794 . . 2 . . . . 11 N HB2 . 15678 1 109 . 1 1 11 11 ASN HB3 H 1 2.581 . . 2 . . . . 11 N HB3 . 15678 1 110 . 1 1 11 11 ASN C C 13 177.082 . . 1 . . . . 11 N C . 15678 1 111 . 1 1 11 11 ASN CA C 13 51.609 . . 1 . . . . 11 N CA . 15678 1 112 . 1 1 11 11 ASN CB C 13 39.973 . . 1 . . . . 11 N CB . 15678 1 113 . 1 1 11 11 ASN N N 15 114.954 . . 1 . . . . 11 N N . 15678 1 114 . 1 1 12 12 HIS H H 1 7.631 . . 1 . . . . 12 H H . 15678 1 115 . 1 1 12 12 HIS HA H 1 4.741 . . 1 . . . . 12 H HA . 15678 1 116 . 1 1 12 12 HIS C C 13 175.918 . . 1 . . . . 12 H C . 15678 1 117 . 1 1 12 12 HIS CA C 13 58.513 . . 1 . . . . 12 H CA . 15678 1 118 . 1 1 12 12 HIS CB C 13 28.690 . . 1 . . . . 12 H CB . 15678 1 119 . 1 1 12 12 HIS N N 15 113.167 . . 1 . . . . 12 H N . 15678 1 120 . 1 1 13 13 ASN H H 1 8.487 . . 1 . . . . 13 N H . 15678 1 121 . 1 1 13 13 ASN HA H 1 5.036 . . 1 . . . . 13 N HA . 15678 1 122 . 1 1 13 13 ASN HB2 H 1 3.301 . . 2 . . . . 13 N HB2 . 15678 1 123 . 1 1 13 13 ASN HB3 H 1 2.733 . . 2 . . . . 13 N HB3 . 15678 1 124 . 1 1 13 13 ASN C C 13 174.353 . . 1 . . . . 13 N C . 15678 1 125 . 1 1 13 13 ASN CA C 13 53.618 . . 1 . . . . 13 N CA . 15678 1 126 . 1 1 13 13 ASN CB C 13 38.791 . . 1 . . . . 13 N CB . 15678 1 127 . 1 1 13 13 ASN N N 15 115.930 . . 1 . . . . 13 N N . 15678 1 128 . 1 1 14 14 THR H H 1 8.207 . . 1 . . . . 14 T H . 15678 1 129 . 1 1 14 14 THR HA H 1 6.045 . . 1 . . . . 14 T HA . 15678 1 130 . 1 1 14 14 THR HB H 1 3.741 . . 1 . . . . 14 T HB . 15678 1 131 . 1 1 14 14 THR HG21 H 1 1.167 . . 1 . . . . 14 T QG2 . 15678 1 132 . 1 1 14 14 THR HG22 H 1 1.167 . . 1 . . . . 14 T QG2 . 15678 1 133 . 1 1 14 14 THR HG23 H 1 1.167 . . 1 . . . . 14 T QG2 . 15678 1 134 . 1 1 14 14 THR C C 13 174.265 . . 1 . . . . 14 T C . 15678 1 135 . 1 1 14 14 THR CA C 13 62.679 . . 1 . . . . 14 T CA . 15678 1 136 . 1 1 14 14 THR CB C 13 71.613 . . 1 . . . . 14 T CB . 15678 1 137 . 1 1 14 14 THR CG2 C 13 22.295 . . 1 . . . . 14 T CG2 . 15678 1 138 . 1 1 14 14 THR N N 15 117.646 . . 1 . . . . 14 T N . 15678 1 139 . 1 1 15 15 MET H H 1 8.924 . . 1 . . . . 15 M H . 15678 1 140 . 1 1 15 15 MET HA H 1 4.770 . . 1 . . . . 15 M HA . 15678 1 141 . 1 1 15 15 MET HB2 H 1 1.113 . . 2 . . . . 15 M QB . 15678 1 142 . 1 1 15 15 MET HB3 H 1 1.113 . . 2 . . . . 15 M QB . 15678 1 143 . 1 1 15 15 MET C C 13 173.529 . . 1 . . . . 15 M C . 15678 1 144 . 1 1 15 15 MET CA C 13 53.327 . . 1 . . . . 15 M CA . 15678 1 145 . 1 1 15 15 MET CB C 13 35.044 . . 1 . . . . 15 M CB . 15678 1 146 . 1 1 15 15 MET CG C 13 31.572 . . 1 . . . . 15 M CG . 15678 1 147 . 1 1 15 15 MET N N 15 127.665 . . 1 . . . . 15 M N . 15678 1 148 . 1 1 16 16 LYS H H 1 8.727 . . 1 . . . . 16 K H . 15678 1 149 . 1 1 16 16 LYS HA H 1 4.991 . . 1 . . . . 16 K HA . 15678 1 150 . 1 1 16 16 LYS HB2 H 1 1.634 . . 2 . . . . 16 K HB2 . 15678 1 151 . 1 1 16 16 LYS HB3 H 1 1.306 . . 2 . . . . 16 K HB3 . 15678 1 152 . 1 1 16 16 LYS HG2 H 1 1.054 . . 2 . . . . 16 K HG2 . 15678 1 153 . 1 1 16 16 LYS HG3 H 1 0.908 . . 2 . . . . 16 K HG3 . 15678 1 154 . 1 1 16 16 LYS C C 13 174.929 . . 1 . . . . 16 K C . 15678 1 155 . 1 1 16 16 LYS CA C 13 55.426 . . 1 . . . . 16 K CA . 15678 1 156 . 1 1 16 16 LYS CB C 13 34.777 . . 1 . . . . 16 K CB . 15678 1 157 . 1 1 16 16 LYS CD C 13 29.576 . . 1 . . . . 16 K CD . 15678 1 158 . 1 1 16 16 LYS CE C 13 41.006 . . 1 . . . . 16 K CE . 15678 1 159 . 1 1 16 16 LYS CG C 13 25.452 . . 1 . . . . 16 K CG . 15678 1 160 . 1 1 16 16 LYS N N 15 124.273 . . 1 . . . . 16 K N . 15678 1 161 . 1 1 17 17 VAL H H 1 9.672 . . 1 . . . . 17 V H . 15678 1 162 . 1 1 17 17 VAL HA H 1 4.632 . . 1 . . . . 17 V HA . 15678 1 163 . 1 1 17 17 VAL HB H 1 2.211 . . 1 . . . . 17 V HB . 15678 1 164 . 1 1 17 17 VAL HG11 H 1 0.780 . . 1 . . . . 17 V QG1 . 15678 1 165 . 1 1 17 17 VAL HG12 H 1 0.780 . . 1 . . . . 17 V QG1 . 15678 1 166 . 1 1 17 17 VAL HG13 H 1 0.780 . . 1 . . . . 17 V QG1 . 15678 1 167 . 1 1 17 17 VAL HG21 H 1 0.606 . . 1 . . . . 17 V QG2 . 15678 1 168 . 1 1 17 17 VAL HG22 H 1 0.606 . . 1 . . . . 17 V QG2 . 15678 1 169 . 1 1 17 17 VAL HG23 H 1 0.606 . . 1 . . . . 17 V QG2 . 15678 1 170 . 1 1 17 17 VAL C C 13 175.142 . . 1 . . . . 17 V C . 15678 1 171 . 1 1 17 17 VAL CA C 13 61.435 . . 1 . . . . 17 V CA . 15678 1 172 . 1 1 17 17 VAL CB C 13 32.737 . . 1 . . . . 17 V CB . 15678 1 173 . 1 1 17 17 VAL CG1 C 13 21.953 . . 2 . . . . 17 V CG1 . 15678 1 174 . 1 1 17 17 VAL CG2 C 13 20.114 . . 2 . . . . 17 V CG2 . 15678 1 175 . 1 1 17 17 VAL N N 15 130.088 . . 1 . . . . 17 V N . 15678 1 176 . 1 1 18 18 SER H H 1 9.027 . . 1 . . . . 18 S H . 15678 1 177 . 1 1 18 18 SER HA H 1 4.930 . . 1 . . . . 18 S HA . 15678 1 178 . 1 1 18 18 SER HB2 H 1 3.977 . . 2 . . . . 18 S HB2 . 15678 1 179 . 1 1 18 18 SER HB3 H 1 3.676 . . 2 . . . . 18 S HB3 . 15678 1 180 . 1 1 18 18 SER C C 13 174.048 . . 1 . . . . 18 S C . 15678 1 181 . 1 1 18 18 SER CA C 13 59.003 . . 1 . . . . 18 S CA . 15678 1 182 . 1 1 18 18 SER CB C 13 63.599 . . 1 . . . . 18 S CB . 15678 1 183 . 1 1 18 18 SER N N 15 123.228 . . 1 . . . . 18 S N . 15678 1 184 . 1 1 19 19 LEU H H 1 9.252 . . 1 . . . . 19 L H . 15678 1 185 . 1 1 19 19 LEU HA H 1 4.986 . . 1 . . . . 19 L HA . 15678 1 186 . 1 1 19 19 LEU HB2 H 1 1.614 . . 2 . . . . 19 L QB . 15678 1 187 . 1 1 19 19 LEU HB3 H 1 1.614 . . 2 . . . . 19 L QB . 15678 1 188 . 1 1 19 19 LEU HD11 H 1 0.297 . . 1 . . . . 19 L QD1 . 15678 1 189 . 1 1 19 19 LEU HD12 H 1 0.297 . . 1 . . . . 19 L QD1 . 15678 1 190 . 1 1 19 19 LEU HD13 H 1 0.297 . . 1 . . . . 19 L QD1 . 15678 1 191 . 1 1 19 19 LEU HG H 1 0.782 . . 1 . . . . 19 L HG . 15678 1 192 . 1 1 19 19 LEU C C 13 178.091 . . 1 . . . . 19 L C . 15678 1 193 . 1 1 19 19 LEU CA C 13 53.505 . . 1 . . . . 19 L CA . 15678 1 194 . 1 1 19 19 LEU CB C 13 45.142 . . 1 . . . . 19 L CB . 15678 1 195 . 1 1 19 19 LEU CD1 C 13 23.319 . . 2 . . . . 19 L CD1 . 15678 1 196 . 1 1 19 19 LEU CG C 13 26.090 . . 1 . . . . 19 L CG . 15678 1 197 . 1 1 19 19 LEU N N 15 125.233 . . 1 . . . . 19 L N . 15678 1 198 . 1 1 20 20 SER H H 1 8.209 . . 1 . . . . 20 S H . 15678 1 199 . 1 1 20 20 SER HA H 1 3.582 . . 1 . . . . 20 S HA . 15678 1 200 . 1 1 20 20 SER HB2 H 1 4.037 . . 2 . . . . 20 S HB2 . 15678 1 201 . 1 1 20 20 SER HB3 H 1 3.601 . . 2 . . . . 20 S HB3 . 15678 1 202 . 1 1 20 20 SER C C 13 173.521 . . 1 . . . . 20 S C . 15678 1 203 . 1 1 20 20 SER CA C 13 60.032 . . 1 . . . . 20 S CA . 15678 1 204 . 1 1 20 20 SER CB C 13 63.018 . . 1 . . . . 20 S CB . 15678 1 205 . 1 1 20 20 SER N N 15 111.537 . . 1 . . . . 20 S N . 15678 1 206 . 1 1 21 21 GLU H H 1 7.019 . . 1 . . . . 21 E H . 15678 1 207 . 1 1 21 21 GLU HA H 1 4.994 . . 1 . . . . 21 E HA . 15678 1 208 . 1 1 21 21 GLU HB2 H 1 1.640 . . 2 . . . . 21 E QB . 15678 1 209 . 1 1 21 21 GLU HB3 H 1 1.640 . . 2 . . . . 21 E QB . 15678 1 210 . 1 1 21 21 GLU HG2 H 1 2.090 . . 2 . . . . 21 E QG . 15678 1 211 . 1 1 21 21 GLU HG3 H 1 2.090 . . 2 . . . . 21 E QG . 15678 1 212 . 1 1 21 21 GLU CA C 13 52.972 . . 1 . . . . 21 E CA . 15678 1 213 . 1 1 21 21 GLU CB C 13 32.098 . . 1 . . . . 21 E CB . 15678 1 214 . 1 1 21 21 GLU N N 15 118.252 . . 1 . . . . 21 E N . 15678 1 215 . 1 1 22 22 PRO C C 13 177.048 . . 1 . . . . 22 P C . 15678 1 216 . 1 1 22 22 PRO CA C 13 61.123 . . 1 . . . . 22 P CA . 15678 1 217 . 1 1 22 22 PRO CB C 13 32.051 . . 1 . . . . 22 P CB . 15678 1 218 . 1 1 22 22 PRO CD C 13 50.240 . . 1 . . . . 22 P CD . 15678 1 219 . 1 1 22 22 PRO CG C 13 26.284 . . 1 . . . . 22 P CG . 15678 1 220 . 1 1 23 23 ARG H H 1 8.429 . . 1 . . . . 23 R H . 15678 1 221 . 1 1 23 23 ARG HA H 1 4.186 . . 1 . . . . 23 R HA . 15678 1 222 . 1 1 23 23 ARG HD2 H 1 2.662 . . 2 . . . . 23 R QD . 15678 1 223 . 1 1 23 23 ARG HD3 H 1 2.662 . . 2 . . . . 23 R QD . 15678 1 224 . 1 1 23 23 ARG C C 13 177.882 . . 1 . . . . 23 R C . 15678 1 225 . 1 1 23 23 ARG CA C 13 57.211 . . 1 . . . . 23 R CA . 15678 1 226 . 1 1 23 23 ARG CB C 13 30.892 . . 1 . . . . 23 R CB . 15678 1 227 . 1 1 23 23 ARG CD C 13 42.280 . . 1 . . . . 23 R CD . 15678 1 228 . 1 1 23 23 ARG CG C 13 26.719 . . 1 . . . . 23 R CG . 15678 1 229 . 1 1 23 23 ARG N N 15 120.494 . . 1 . . . . 23 R N . 15678 1 230 . 1 1 24 24 GLN H H 1 8.831 . . 1 . . . . 24 Q H . 15678 1 231 . 1 1 24 24 GLN HA H 1 4.211 . . 1 . . . . 24 Q HA . 15678 1 232 . 1 1 24 24 GLN HG2 H 1 2.336 . . 2 . . . . 24 Q QG . 15678 1 233 . 1 1 24 24 GLN HG3 H 1 2.336 . . 2 . . . . 24 Q QG . 15678 1 234 . 1 1 24 24 GLN C C 13 175.287 . . 1 . . . . 24 Q C . 15678 1 235 . 1 1 24 24 GLN CA C 13 56.877 . . 1 . . . . 24 Q CA . 15678 1 236 . 1 1 24 24 GLN CB C 13 28.990 . . 1 . . . . 24 Q CB . 15678 1 237 . 1 1 24 24 GLN CG C 13 33.857 . . 1 . . . . 24 Q CG . 15678 1 238 . 1 1 24 24 GLN N N 15 121.959 . . 1 . . . . 24 Q N . 15678 1 239 . 1 1 25 25 ASP H H 1 7.744 . . 1 . . . . 25 D H . 15678 1 240 . 1 1 25 25 ASP HA H 1 4.505 . . 1 . . . . 25 D HA . 15678 1 241 . 1 1 25 25 ASP HB2 H 1 2.891 . . 2 . . . . 25 D HB2 . 15678 1 242 . 1 1 25 25 ASP HB3 H 1 2.564 . . 2 . . . . 25 D HB3 . 15678 1 243 . 1 1 25 25 ASP C C 13 175.999 . . 1 . . . . 25 D C . 15678 1 244 . 1 1 25 25 ASP CA C 13 52.847 . . 1 . . . . 25 D CA . 15678 1 245 . 1 1 25 25 ASP CB C 13 41.068 . . 1 . . . . 25 D CB . 15678 1 246 . 1 1 25 25 ASP N N 15 116.784 . . 1 . . . . 25 D N . 15678 1 247 . 1 1 26 26 ASN H H 1 8.286 . . 1 . . . . 26 N H . 15678 1 248 . 1 1 26 26 ASN HA H 1 4.740 . . 1 . . . . 26 N HA . 15678 1 249 . 1 1 26 26 ASN HB2 H 1 2.950 . . 2 . . . . 26 N HB2 . 15678 1 250 . 1 1 26 26 ASN HB3 H 1 2.693 . . 2 . . . . 26 N HB3 . 15678 1 251 . 1 1 26 26 ASN C C 13 174.690 . . 1 . . . . 26 N C . 15678 1 252 . 1 1 26 26 ASN CA C 13 53.461 . . 1 . . . . 26 N CA . 15678 1 253 . 1 1 26 26 ASN CB C 13 37.952 . . 1 . . . . 26 N CB . 15678 1 254 . 1 1 26 26 ASN N N 15 116.196 . . 1 . . . . 26 N N . 15678 1 255 . 1 1 27 27 SER H H 1 7.550 . . 1 . . . . 27 S H . 15678 1 256 . 1 1 27 27 SER HA H 1 4.455 . . 1 . . . . 27 S HA . 15678 1 257 . 1 1 27 27 SER HB2 H 1 3.453 . . 2 . . . . 27 S QB . 15678 1 258 . 1 1 27 27 SER HB3 H 1 3.453 . . 2 . . . . 27 S QB . 15678 1 259 . 1 1 27 27 SER C C 13 172.433 . . 1 . . . . 27 S C . 15678 1 260 . 1 1 27 27 SER CA C 13 57.292 . . 1 . . . . 27 S CA . 15678 1 261 . 1 1 27 27 SER CB C 13 64.596 . . 1 . . . . 27 S CB . 15678 1 262 . 1 1 27 27 SER N N 15 113.126 . . 1 . . . . 27 S N . 15678 1 263 . 1 1 28 28 PHE H H 1 7.667 . . 1 . . . . 28 F H . 15678 1 264 . 1 1 28 28 PHE HA H 1 5.217 . . 1 . . . . 28 F HA . 15678 1 265 . 1 1 28 28 PHE HB2 H 1 2.716 . . 2 . . . . 28 F QB . 15678 1 266 . 1 1 28 28 PHE HB3 H 1 2.716 . . 2 . . . . 28 F QB . 15678 1 267 . 1 1 28 28 PHE HD1 H 1 7.035 . . 3 . . . . 28 F QD . 15678 1 268 . 1 1 28 28 PHE HD2 H 1 7.035 . . 3 . . . . 28 F QD . 15678 1 269 . 1 1 28 28 PHE C C 13 174.783 . . 1 . . . . 28 F C . 15678 1 270 . 1 1 28 28 PHE CA C 13 54.683 . . 1 . . . . 28 F CA . 15678 1 271 . 1 1 28 28 PHE CB C 13 41.380 . . 1 . . . . 28 F CB . 15678 1 272 . 1 1 28 28 PHE CD1 C 13 129.289 . . 3 . . . . 28 F CD1 . 15678 1 273 . 1 1 28 28 PHE N N 15 117.393 . . 1 . . . . 28 F N . 15678 1 274 . 1 1 29 29 THR H H 1 7.837 . . 1 . . . . 29 T H . 15678 1 275 . 1 1 29 29 THR HA H 1 4.365 . . 1 . . . . 29 T HA . 15678 1 276 . 1 1 29 29 THR HB H 1 3.313 . . 1 . . . . 29 T HB . 15678 1 277 . 1 1 29 29 THR HG21 H 1 0.741 . . 1 . . . . 29 T QG2 . 15678 1 278 . 1 1 29 29 THR HG22 H 1 0.741 . . 1 . . . . 29 T QG2 . 15678 1 279 . 1 1 29 29 THR HG23 H 1 0.741 . . 1 . . . . 29 T QG2 . 15678 1 280 . 1 1 29 29 THR C C 13 171.762 . . 1 . . . . 29 T C . 15678 1 281 . 1 1 29 29 THR CA C 13 61.971 . . 1 . . . . 29 T CA . 15678 1 282 . 1 1 29 29 THR CB C 13 72.905 . . 1 . . . . 29 T CB . 15678 1 283 . 1 1 29 29 THR CG2 C 13 23.001 . . 1 . . . . 29 T CG2 . 15678 1 284 . 1 1 29 29 THR N N 15 115.460 . . 1 . . . . 29 T N . 15678 1 285 . 1 1 30 30 THR H H 1 8.326 . . 1 . . . . 30 T H . 15678 1 286 . 1 1 30 30 THR HA H 1 5.170 . . 1 . . . . 30 T HA . 15678 1 287 . 1 1 30 30 THR HB H 1 3.969 . . 1 . . . . 30 T HB . 15678 1 288 . 1 1 30 30 THR HG21 H 1 1.195 . . 1 . . . . 30 T QG2 . 15678 1 289 . 1 1 30 30 THR HG22 H 1 1.195 . . 1 . . . . 30 T QG2 . 15678 1 290 . 1 1 30 30 THR HG23 H 1 1.195 . . 1 . . . . 30 T QG2 . 15678 1 291 . 1 1 30 30 THR C C 13 173.243 . . 1 . . . . 30 T C . 15678 1 292 . 1 1 30 30 THR CA C 13 62.222 . . 1 . . . . 30 T CA . 15678 1 293 . 1 1 30 30 THR CB C 13 69.615 . . 1 . . . . 30 T CB . 15678 1 294 . 1 1 30 30 THR CG2 C 13 21.625 . . 1 . . . . 30 T CG2 . 15678 1 295 . 1 1 30 30 THR N N 15 121.078 . . 1 . . . . 30 T N . 15678 1 296 . 1 1 31 31 TYR H H 1 9.914 . . 1 . . . . 31 Y H . 15678 1 297 . 1 1 31 31 TYR HA H 1 5.012 . . 1 . . . . 31 Y HA . 15678 1 298 . 1 1 31 31 TYR HB2 H 1 2.962 . . 2 . . . . 31 Y QB . 15678 1 299 . 1 1 31 31 TYR HB3 H 1 2.962 . . 2 . . . . 31 Y QB . 15678 1 300 . 1 1 31 31 TYR HD1 H 1 7.069 . . 3 . . . . 31 Y QD . 15678 1 301 . 1 1 31 31 TYR HD2 H 1 7.069 . . 3 . . . . 31 Y QD . 15678 1 302 . 1 1 31 31 TYR C C 13 175.946 . . 1 . . . . 31 Y C . 15678 1 303 . 1 1 31 31 TYR CA C 13 56.440 . . 1 . . . . 31 Y CA . 15678 1 304 . 1 1 31 31 TYR CB C 13 41.929 . . 1 . . . . 31 Y CB . 15678 1 305 . 1 1 31 31 TYR CD1 C 13 130.490 . . 3 . . . . 31 Y CD1 . 15678 1 306 . 1 1 31 31 TYR N N 15 126.795 . . 1 . . . . 31 Y N . 15678 1 307 . 1 1 32 32 THR H H 1 8.825 . . 1 . . . . 32 T H . 15678 1 308 . 1 1 32 32 THR HA H 1 4.662 . . 1 . . . . 32 T HA . 15678 1 309 . 1 1 32 32 THR HB H 1 3.150 . . 1 . . . . 32 T HB . 15678 1 310 . 1 1 32 32 THR HG21 H 1 1.155 . . 1 . . . . 32 T QG2 . 15678 1 311 . 1 1 32 32 THR HG22 H 1 1.155 . . 1 . . . . 32 T QG2 . 15678 1 312 . 1 1 32 32 THR HG23 H 1 1.155 . . 1 . . . . 32 T QG2 . 15678 1 313 . 1 1 32 32 THR C C 13 172.185 . . 1 . . . . 32 T C . 15678 1 314 . 1 1 32 32 THR CA C 13 61.335 . . 1 . . . . 32 T CA . 15678 1 315 . 1 1 32 32 THR CB C 13 70.088 . . 1 . . . . 32 T CB . 15678 1 316 . 1 1 32 32 THR CG2 C 13 21.724 . . 1 . . . . 32 T CG2 . 15678 1 317 . 1 1 32 32 THR N N 15 110.890 . . 1 . . . . 32 T N . 15678 1 318 . 1 1 33 33 ALA H H 1 7.295 . . 1 . . . . 33 A H . 15678 1 319 . 1 1 33 33 ALA HA H 1 3.211 . . 1 . . . . 33 A HA . 15678 1 320 . 1 1 33 33 ALA HB1 H 1 1.112 . . 1 . . . . 33 A QB . 15678 1 321 . 1 1 33 33 ALA HB2 H 1 1.112 . . 1 . . . . 33 A QB . 15678 1 322 . 1 1 33 33 ALA HB3 H 1 1.112 . . 1 . . . . 33 A QB . 15678 1 323 . 1 1 33 33 ALA C C 13 175.141 . . 1 . . . . 33 A C . 15678 1 324 . 1 1 33 33 ALA CA C 13 50.808 . . 1 . . . . 33 A CA . 15678 1 325 . 1 1 33 33 ALA CB C 13 21.586 . . 1 . . . . 33 A CB . 15678 1 326 . 1 1 33 33 ALA N N 15 124.136 . . 1 . . . . 33 A N . 15678 1 327 . 1 1 34 34 ALA H H 1 8.271 . . 1 . . . . 34 A H . 15678 1 328 . 1 1 34 34 ALA HA H 1 4.122 . . 1 . . . . 34 A HA . 15678 1 329 . 1 1 34 34 ALA HB1 H 1 1.163 . . 1 . . . . 34 A QB . 15678 1 330 . 1 1 34 34 ALA HB2 H 1 1.163 . . 1 . . . . 34 A QB . 15678 1 331 . 1 1 34 34 ALA HB3 H 1 1.163 . . 1 . . . . 34 A QB . 15678 1 332 . 1 1 34 34 ALA C C 13 176.994 . . 1 . . . . 34 A C . 15678 1 333 . 1 1 34 34 ALA CA C 13 52.066 . . 1 . . . . 34 A CA . 15678 1 334 . 1 1 34 34 ALA CB C 13 18.892 . . 1 . . . . 34 A CB . 15678 1 335 . 1 1 34 34 ALA N N 15 121.645 . . 1 . . . . 34 A N . 15678 1 336 . 1 1 35 35 GLN H H 1 7.637 . . 1 . . . . 35 Q H . 15678 1 337 . 1 1 35 35 GLN HA H 1 4.415 . . 1 . . . . 35 Q HA . 15678 1 338 . 1 1 35 35 GLN HB2 H 1 1.877 . . 2 . . . . 35 Q HB2 . 15678 1 339 . 1 1 35 35 GLN HB3 H 1 1.594 . . 2 . . . . 35 Q HB3 . 15678 1 340 . 1 1 35 35 GLN HG2 H 1 2.176 . . 2 . . . . 35 Q QG . 15678 1 341 . 1 1 35 35 GLN HG3 H 1 2.176 . . 2 . . . . 35 Q QG . 15678 1 342 . 1 1 35 35 GLN C C 13 175.575 . . 1 . . . . 35 Q C . 15678 1 343 . 1 1 35 35 GLN CA C 13 54.914 . . 1 . . . . 35 Q CA . 15678 1 344 . 1 1 35 35 GLN CB C 13 33.020 . . 1 . . . . 35 Q CB . 15678 1 345 . 1 1 35 35 GLN N N 15 119.661 . . 1 . . . . 35 Q N . 15678 1 346 . 1 1 36 36 GLU H H 1 8.871 . . 1 . . . . 36 E H . 15678 1 347 . 1 1 36 36 GLU HA H 1 4.092 . . 1 . . . . 36 E HA . 15678 1 348 . 1 1 36 36 GLU HB2 H 1 1.942 . . 2 . . . . 36 E QB . 15678 1 349 . 1 1 36 36 GLU HB3 H 1 1.942 . . 2 . . . . 36 E QB . 15678 1 350 . 1 1 36 36 GLU HG2 H 1 2.240 . . 2 . . . . 36 E QG . 15678 1 351 . 1 1 36 36 GLU HG3 H 1 2.240 . . 2 . . . . 36 E QG . 15678 1 352 . 1 1 36 36 GLU C C 13 177.135 . . 1 . . . . 36 E C . 15678 1 353 . 1 1 36 36 GLU CA C 13 57.893 . . 1 . . . . 36 E CA . 15678 1 354 . 1 1 36 36 GLU CB C 13 29.338 . . 1 . . . . 36 E CB . 15678 1 355 . 1 1 36 36 GLU CG C 13 35.804 . . 1 . . . . 36 E CG . 15678 1 356 . 1 1 36 36 GLU N N 15 125.963 . . 1 . . . . 36 E N . 15678 1 357 . 1 1 37 37 GLY H H 1 9.099 . . 1 . . . . 37 G H . 15678 1 358 . 1 1 37 37 GLY HA2 H 1 4.333 . . 2 . . . . 37 G HA2 . 15678 1 359 . 1 1 37 37 GLY HA3 H 1 3.645 . . 2 . . . . 37 G HA3 . 15678 1 360 . 1 1 37 37 GLY C C 13 175.054 . . 1 . . . . 37 G C . 15678 1 361 . 1 1 37 37 GLY CA C 13 45.004 . . 1 . . . . 37 G CA . 15678 1 362 . 1 1 37 37 GLY N N 15 113.741 . . 1 . . . . 37 G N . 15678 1 363 . 1 1 38 38 GLN H H 1 7.191 . . 1 . . . . 38 Q H . 15678 1 364 . 1 1 38 38 GLN HA H 1 4.603 . . 1 . . . . 38 Q HA . 15678 1 365 . 1 1 38 38 GLN HB2 H 1 2.516 . . 2 . . . . 38 Q HB2 . 15678 1 366 . 1 1 38 38 GLN HB3 H 1 2.091 . . 2 . . . . 38 Q HB3 . 15678 1 367 . 1 1 38 38 GLN CA C 13 54.180 . . 1 . . . . 38 Q CA . 15678 1 368 . 1 1 38 38 GLN CB C 13 26.055 . . 1 . . . . 38 Q CB . 15678 1 369 . 1 1 38 38 GLN N N 15 118.051 . . 1 . . . . 38 Q N . 15678 1 370 . 1 1 39 39 PRO HA H 1 4.304 . . 1 . . . . 39 P HA . 15678 1 371 . 1 1 39 39 PRO C C 13 177.743 . . 1 . . . . 39 P C . 15678 1 372 . 1 1 39 39 PRO CA C 13 62.979 . . 1 . . . . 39 P CA . 15678 1 373 . 1 1 39 39 PRO CB C 13 32.019 . . 1 . . . . 39 P CB . 15678 1 374 . 1 1 39 39 PRO CD C 13 50.151 . . 1 . . . . 39 P CD . 15678 1 375 . 1 1 39 39 PRO CG C 13 27.881 . . 1 . . . . 39 P CG . 15678 1 376 . 1 1 40 40 GLU H H 1 9.027 . . 1 . . . . 40 E H . 15678 1 377 . 1 1 40 40 GLU HA H 1 3.889 . . 1 . . . . 40 E HA . 15678 1 378 . 1 1 40 40 GLU HB2 H 1 2.100 . . 2 . . . . 40 E QB . 15678 1 379 . 1 1 40 40 GLU HB3 H 1 2.100 . . 2 . . . . 40 E QB . 15678 1 380 . 1 1 40 40 GLU HG2 H 1 2.322 . . 2 . . . . 40 E QG . 15678 1 381 . 1 1 40 40 GLU HG3 H 1 2.322 . . 2 . . . . 40 E QG . 15678 1 382 . 1 1 40 40 GLU C C 13 178.753 . . 1 . . . . 40 E C . 15678 1 383 . 1 1 40 40 GLU CA C 13 60.222 . . 1 . . . . 40 E CA . 15678 1 384 . 1 1 40 40 GLU CB C 13 28.974 . . 1 . . . . 40 E CB . 15678 1 385 . 1 1 40 40 GLU CG C 13 35.864 . . 1 . . . . 40 E CG . 15678 1 386 . 1 1 40 40 GLU N N 15 126.958 . . 1 . . . . 40 E N . 15678 1 387 . 1 1 41 41 PHE H H 1 8.002 . . 1 . . . . 41 F H . 15678 1 388 . 1 1 41 41 PHE HA H 1 3.954 . . 1 . . . . 41 F HA . 15678 1 389 . 1 1 41 41 PHE HB2 H 1 2.843 . . 2 . . . . 41 F HB2 . 15678 1 390 . 1 1 41 41 PHE HB3 H 1 2.632 . . 2 . . . . 41 F HB3 . 15678 1 391 . 1 1 41 41 PHE HD1 H 1 7.007 . . 3 . . . . 41 F QD . 15678 1 392 . 1 1 41 41 PHE HD2 H 1 7.007 . . 3 . . . . 41 F QD . 15678 1 393 . 1 1 41 41 PHE C C 13 175.758 . . 1 . . . . 41 F C . 15678 1 394 . 1 1 41 41 PHE CA C 13 59.710 . . 1 . . . . 41 F CA . 15678 1 395 . 1 1 41 41 PHE CB C 13 36.676 . . 1 . . . . 41 F CB . 15678 1 396 . 1 1 41 41 PHE N N 15 113.466 . . 1 . . . . 41 F N . 15678 1 397 . 1 1 42 42 ILE H H 1 5.768 . . 1 . . . . 42 I H . 15678 1 398 . 1 1 42 42 ILE HA H 1 3.139 . . 1 . . . . 42 I HA . 15678 1 399 . 1 1 42 42 ILE HB H 1 1.475 . . 1 . . . . 42 I HB . 15678 1 400 . 1 1 42 42 ILE HD11 H 1 0.010 . . 1 . . . . 42 I QD1 . 15678 1 401 . 1 1 42 42 ILE HD12 H 1 0.010 . . 1 . . . . 42 I QD1 . 15678 1 402 . 1 1 42 42 ILE HD13 H 1 0.010 . . 1 . . . . 42 I QD1 . 15678 1 403 . 1 1 42 42 ILE HG12 H 1 0.053 . . 1 . . . . 42 I QG1 . 15678 1 404 . 1 1 42 42 ILE HG13 H 1 0.053 . . 1 . . . . 42 I QG1 . 15678 1 405 . 1 1 42 42 ILE HG21 H 1 0.028 . . 1 . . . . 42 I QG2 . 15678 1 406 . 1 1 42 42 ILE HG22 H 1 0.028 . . 1 . . . . 42 I QG2 . 15678 1 407 . 1 1 42 42 ILE HG23 H 1 0.028 . . 1 . . . . 42 I QG2 . 15678 1 408 . 1 1 42 42 ILE C C 13 176.683 . . 1 . . . . 42 I C . 15678 1 409 . 1 1 42 42 ILE CA C 13 60.658 . . 1 . . . . 42 I CA . 15678 1 410 . 1 1 42 42 ILE CB C 13 35.040 . . 1 . . . . 42 I CB . 15678 1 411 . 1 1 42 42 ILE CG1 C 13 25.255 . . 1 . . . . 42 I CG1 . 15678 1 412 . 1 1 42 42 ILE CG2 C 13 15.790 . . 1 . . . . 42 I CG2 . 15678 1 413 . 1 1 42 42 ILE N N 15 120.624 . . 1 . . . . 42 I N . 15678 1 414 . 1 1 43 43 ASN H H 1 7.181 . . 1 . . . . 43 N H . 15678 1 415 . 1 1 43 43 ASN HA H 1 4.346 . . 1 . . . . 43 N HA . 15678 1 416 . 1 1 43 43 ASN HB2 H 1 2.747 . . 2 . . . . 43 N QB . 15678 1 417 . 1 1 43 43 ASN HB3 H 1 2.747 . . 2 . . . . 43 N QB . 15678 1 418 . 1 1 43 43 ASN HD21 H 1 6.575 . . 2 . . . . 43 N HD21 . 15678 1 419 . 1 1 43 43 ASN HD22 H 1 7.567 . . 2 . . . . 43 N HD22 . 15678 1 420 . 1 1 43 43 ASN C C 13 179.014 . . 1 . . . . 43 N C . 15678 1 421 . 1 1 43 43 ASN CA C 13 55.866 . . 1 . . . . 43 N CA . 15678 1 422 . 1 1 43 43 ASN CB C 13 36.647 . . 1 . . . . 43 N CB . 15678 1 423 . 1 1 43 43 ASN N N 15 117.715 . . 1 . . . . 43 N N . 15678 1 424 . 1 1 43 43 ASN ND2 N 15 110.152 . . 1 . . . . 43 N ND2 . 15678 1 425 . 1 1 44 44 ARG H H 1 8.104 . . 1 . . . . 44 R H . 15678 1 426 . 1 1 44 44 ARG HA H 1 3.950 . . 1 . . . . 44 R HA . 15678 1 427 . 1 1 44 44 ARG HB2 H 1 1.624 . . 2 . . . . 44 R QB . 15678 1 428 . 1 1 44 44 ARG HB3 H 1 1.624 . . 2 . . . . 44 R QB . 15678 1 429 . 1 1 44 44 ARG HD2 H 1 3.065 . . 2 . . . . 44 R QD . 15678 1 430 . 1 1 44 44 ARG HD3 H 1 3.065 . . 2 . . . . 44 R QD . 15678 1 431 . 1 1 44 44 ARG HG2 H 1 1.707 . . 2 . . . . 44 R HG2 . 15678 1 432 . 1 1 44 44 ARG HG3 H 1 1.593 . . 2 . . . . 44 R HG3 . 15678 1 433 . 1 1 44 44 ARG C C 13 179.954 . . 1 . . . . 44 R C . 15678 1 434 . 1 1 44 44 ARG CA C 13 58.720 . . 1 . . . . 44 R CA . 15678 1 435 . 1 1 44 44 ARG CB C 13 30.399 . . 1 . . . . 44 R CB . 15678 1 436 . 1 1 44 44 ARG CD C 13 43.227 . . 1 . . . . 44 R CD . 15678 1 437 . 1 1 44 44 ARG CG C 13 27.485 . . 1 . . . . 44 R CG . 15678 1 438 . 1 1 44 44 ARG N N 15 117.153 . . 1 . . . . 44 R N . 15678 1 439 . 1 1 45 45 LEU H H 1 7.418 . . 1 . . . . 45 L H . 15678 1 440 . 1 1 45 45 LEU HA H 1 3.926 . . 1 . . . . 45 L HA . 15678 1 441 . 1 1 45 45 LEU HB2 H 1 1.837 . . 2 . . . . 45 L QB . 15678 1 442 . 1 1 45 45 LEU HB3 H 1 1.837 . . 2 . . . . 45 L QB . 15678 1 443 . 1 1 45 45 LEU HD11 H 1 0.827 . . 1 . . . . 45 L QD1 . 15678 1 444 . 1 1 45 45 LEU HD12 H 1 0.827 . . 1 . . . . 45 L QD1 . 15678 1 445 . 1 1 45 45 LEU HD13 H 1 0.827 . . 1 . . . . 45 L QD1 . 15678 1 446 . 1 1 45 45 LEU HG H 1 0.772 . . 1 . . . . 45 L HG . 15678 1 447 . 1 1 45 45 LEU C C 13 177.728 . . 1 . . . . 45 L C . 15678 1 448 . 1 1 45 45 LEU CA C 13 57.639 . . 1 . . . . 45 L CA . 15678 1 449 . 1 1 45 45 LEU CB C 13 41.542 . . 1 . . . . 45 L CB . 15678 1 450 . 1 1 45 45 LEU CD1 C 13 25.207 . . 2 . . . . 45 L CD1 . 15678 1 451 . 1 1 45 45 LEU CG C 13 27.111 . . 1 . . . . 45 L CG . 15678 1 452 . 1 1 45 45 LEU N N 15 121.239 . . 1 . . . . 45 L N . 15678 1 453 . 1 1 46 46 PHE H H 1 7.089 . . 1 . . . . 46 F H . 15678 1 454 . 1 1 46 46 PHE HA H 1 4.236 . . 1 . . . . 46 F HA . 15678 1 455 . 1 1 46 46 PHE HB2 H 1 3.434 . . 2 . . . . 46 F HB2 . 15678 1 456 . 1 1 46 46 PHE HB3 H 1 2.625 . . 2 . . . . 46 F HB3 . 15678 1 457 . 1 1 46 46 PHE C C 13 176.383 . . 1 . . . . 46 F C . 15678 1 458 . 1 1 46 46 PHE CA C 13 61.502 . . 1 . . . . 46 F CA . 15678 1 459 . 1 1 46 46 PHE CB C 13 39.087 . . 1 . . . . 46 F CB . 15678 1 460 . 1 1 46 46 PHE N N 15 112.649 . . 1 . . . . 46 F N . 15678 1 461 . 1 1 47 47 GLU H H 1 7.308 . . 1 . . . . 47 E H . 15678 1 462 . 1 1 47 47 GLU HA H 1 4.202 . . 1 . . . . 47 E HA . 15678 1 463 . 1 1 47 47 GLU HB2 H 1 2.206 . . 2 . . . . 47 E HB2 . 15678 1 464 . 1 1 47 47 GLU HB3 H 1 1.990 . . 2 . . . . 47 E HB3 . 15678 1 465 . 1 1 47 47 GLU HG2 H 1 2.459 . . 2 . . . . 47 E QG . 15678 1 466 . 1 1 47 47 GLU HG3 H 1 2.459 . . 2 . . . . 47 E QG . 15678 1 467 . 1 1 47 47 GLU C C 13 176.265 . . 1 . . . . 47 E C . 15678 1 468 . 1 1 47 47 GLU CA C 13 57.046 . . 1 . . . . 47 E CA . 15678 1 469 . 1 1 47 47 GLU CB C 13 29.335 . . 1 . . . . 47 E CB . 15678 1 470 . 1 1 47 47 GLU CG C 13 36.585 . . 1 . . . . 47 E CG . 15678 1 471 . 1 1 47 47 GLU N N 15 117.703 . . 1 . . . . 47 E N . 15678 1 472 . 1 1 48 48 ILE H H 1 7.348 . . 1 . . . . 48 I H . 15678 1 473 . 1 1 48 48 ILE HA H 1 3.814 . . 1 . . . . 48 I HA . 15678 1 474 . 1 1 48 48 ILE HB H 1 2.047 . . 1 . . . . 48 I HB . 15678 1 475 . 1 1 48 48 ILE HD11 H 1 0.720 . . 1 . . . . 48 I QD1 . 15678 1 476 . 1 1 48 48 ILE HD12 H 1 0.720 . . 1 . . . . 48 I QD1 . 15678 1 477 . 1 1 48 48 ILE HD13 H 1 0.720 . . 1 . . . . 48 I QD1 . 15678 1 478 . 1 1 48 48 ILE HG12 H 1 1.558 . . 1 . . . . 48 I QG1 . 15678 1 479 . 1 1 48 48 ILE HG13 H 1 1.558 . . 1 . . . . 48 I QG1 . 15678 1 480 . 1 1 48 48 ILE HG21 H 1 0.675 . . 1 . . . . 48 I QG2 . 15678 1 481 . 1 1 48 48 ILE HG22 H 1 0.675 . . 1 . . . . 48 I QG2 . 15678 1 482 . 1 1 48 48 ILE HG23 H 1 0.675 . . 1 . . . . 48 I QG2 . 15678 1 483 . 1 1 48 48 ILE C C 13 175.559 . . 1 . . . . 48 I C . 15678 1 484 . 1 1 48 48 ILE CA C 13 60.937 . . 1 . . . . 48 I CA . 15678 1 485 . 1 1 48 48 ILE CB C 13 37.515 . . 1 . . . . 48 I CB . 15678 1 486 . 1 1 48 48 ILE CD1 C 13 14.499 . . 1 . . . . 48 I CD1 . 15678 1 487 . 1 1 48 48 ILE CG1 C 13 27.116 . . 1 . . . . 48 I CG1 . 15678 1 488 . 1 1 48 48 ILE CG2 C 13 17.047 . . 1 . . . . 48 I CG2 . 15678 1 489 . 1 1 48 48 ILE N N 15 121.669 . . 1 . . . . 48 I N . 15678 1 490 . 1 1 49 49 GLU H H 1 8.682 . . 1 . . . . 49 E H . 15678 1 491 . 1 1 49 49 GLU HA H 1 4.017 . . 1 . . . . 49 E HA . 15678 1 492 . 1 1 49 49 GLU HB2 H 1 1.955 . . 2 . . . . 49 E QB . 15678 1 493 . 1 1 49 49 GLU HB3 H 1 1.955 . . 2 . . . . 49 E QB . 15678 1 494 . 1 1 49 49 GLU HG2 H 1 2.207 . . 2 . . . . 49 E QG . 15678 1 495 . 1 1 49 49 GLU HG3 H 1 2.207 . . 2 . . . . 49 E QG . 15678 1 496 . 1 1 49 49 GLU C C 13 176.607 . . 1 . . . . 49 E C . 15678 1 497 . 1 1 49 49 GLU CA C 13 57.934 . . 1 . . . . 49 E CA . 15678 1 498 . 1 1 49 49 GLU CB C 13 29.197 . . 1 . . . . 49 E CB . 15678 1 499 . 1 1 49 49 GLU CG C 13 35.905 . . 1 . . . . 49 E CG . 15678 1 500 . 1 1 49 49 GLU N N 15 130.656 . . 1 . . . . 49 E N . 15678 1 501 . 1 1 50 50 GLY H H 1 8.888 . . 1 . . . . 50 G H . 15678 1 502 . 1 1 50 50 GLY HA2 H 1 4.274 . . 2 . . . . 50 G HA2 . 15678 1 503 . 1 1 50 50 GLY HA3 H 1 3.419 . . 2 . . . . 50 G HA3 . 15678 1 504 . 1 1 50 50 GLY C C 13 174.001 . . 1 . . . . 50 G C . 15678 1 505 . 1 1 50 50 GLY CA C 13 44.804 . . 1 . . . . 50 G CA . 15678 1 506 . 1 1 50 50 GLY N N 15 113.851 . . 1 . . . . 50 G N . 15678 1 507 . 1 1 51 51 VAL H H 1 7.318 . . 1 . . . . 51 V H . 15678 1 508 . 1 1 51 51 VAL HA H 1 3.568 . . 1 . . . . 51 V HA . 15678 1 509 . 1 1 51 51 VAL HB H 1 2.027 . . 1 . . . . 51 V HB . 15678 1 510 . 1 1 51 51 VAL HG11 H 1 0.701 . . 1 . . . . 51 V QG1 . 15678 1 511 . 1 1 51 51 VAL HG12 H 1 0.701 . . 1 . . . . 51 V QG1 . 15678 1 512 . 1 1 51 51 VAL HG13 H 1 0.701 . . 1 . . . . 51 V QG1 . 15678 1 513 . 1 1 51 51 VAL HG21 H 1 0.268 . . 1 . . . . 51 V QG2 . 15678 1 514 . 1 1 51 51 VAL HG22 H 1 0.268 . . 1 . . . . 51 V QG2 . 15678 1 515 . 1 1 51 51 VAL HG23 H 1 0.268 . . 1 . . . . 51 V QG2 . 15678 1 516 . 1 1 51 51 VAL C C 13 174.683 . . 1 . . . . 51 V C . 15678 1 517 . 1 1 51 51 VAL CA C 13 64.701 . . 1 . . . . 51 V CA . 15678 1 518 . 1 1 51 51 VAL CB C 13 31.347 . . 1 . . . . 51 V CB . 15678 1 519 . 1 1 51 51 VAL CG1 C 13 22.077 . . 2 . . . . 51 V CG1 . 15678 1 520 . 1 1 51 51 VAL CG2 C 13 20.354 . . 2 . . . . 51 V CG2 . 15678 1 521 . 1 1 51 51 VAL N N 15 120.558 . . 1 . . . . 51 V N . 15678 1 522 . 1 1 52 52 LYS H H 1 9.071 . . 1 . . . . 52 K H . 15678 1 523 . 1 1 52 52 LYS HA H 1 4.526 . . 1 . . . . 52 K HA . 15678 1 524 . 1 1 52 52 LYS HB2 H 1 1.464 . . 2 . . . . 52 K QB . 15678 1 525 . 1 1 52 52 LYS HB3 H 1 1.464 . . 2 . . . . 52 K QB . 15678 1 526 . 1 1 52 52 LYS HE2 H 1 2.943 . . 2 . . . . 52 K QE . 15678 1 527 . 1 1 52 52 LYS HE3 H 1 2.943 . . 2 . . . . 52 K QE . 15678 1 528 . 1 1 52 52 LYS HG2 H 1 1.410 . . 2 . . . . 52 K HG2 . 15678 1 529 . 1 1 52 52 LYS HG3 H 1 1.191 . . 2 . . . . 52 K HG3 . 15678 1 530 . 1 1 52 52 LYS C C 13 175.607 . . 1 . . . . 52 K C . 15678 1 531 . 1 1 52 52 LYS CA C 13 57.735 . . 1 . . . . 52 K CA . 15678 1 532 . 1 1 52 52 LYS CB C 13 35.848 . . 1 . . . . 52 K CB . 15678 1 533 . 1 1 52 52 LYS CD C 13 29.784 . . 1 . . . . 52 K CD . 15678 1 534 . 1 1 52 52 LYS CE C 13 41.817 . . 1 . . . . 52 K CE . 15678 1 535 . 1 1 52 52 LYS CG C 13 24.790 . . 1 . . . . 52 K CG . 15678 1 536 . 1 1 52 52 LYS N N 15 130.785 . . 1 . . . . 52 K N . 15678 1 537 . 1 1 53 53 SER H H 1 7.778 . . 1 . . . . 53 S H . 15678 1 538 . 1 1 53 53 SER HA H 1 5.190 . . 1 . . . . 53 S HA . 15678 1 539 . 1 1 53 53 SER HB2 H 1 3.900 . . 2 . . . . 53 S QB . 15678 1 540 . 1 1 53 53 SER HB3 H 1 3.900 . . 2 . . . . 53 S QB . 15678 1 541 . 1 1 53 53 SER C C 13 172.338 . . 1 . . . . 53 S C . 15678 1 542 . 1 1 53 53 SER CA C 13 57.796 . . 1 . . . . 53 S CA . 15678 1 543 . 1 1 53 53 SER CB C 13 64.534 . . 1 . . . . 53 S CB . 15678 1 544 . 1 1 53 53 SER N N 15 109.614 . . 1 . . . . 53 S N . 15678 1 545 . 1 1 54 54 ILE H H 1 9.048 . . 1 . . . . 54 I H . 15678 1 546 . 1 1 54 54 ILE HA H 1 5.169 . . 1 . . . . 54 I HA . 15678 1 547 . 1 1 54 54 ILE HB H 1 1.731 . . 1 . . . . 54 I HB . 15678 1 548 . 1 1 54 54 ILE HG12 H 1 1.281 . . 2 . . . . 54 I HG12 . 15678 1 549 . 1 1 54 54 ILE HG13 H 1 0.849 . . 2 . . . . 54 I HG13 . 15678 1 550 . 1 1 54 54 ILE HG21 H 1 0.860 . . 1 . . . . 54 I QG2 . 15678 1 551 . 1 1 54 54 ILE HG22 H 1 0.860 . . 1 . . . . 54 I QG2 . 15678 1 552 . 1 1 54 54 ILE HG23 H 1 0.860 . . 1 . . . . 54 I QG2 . 15678 1 553 . 1 1 54 54 ILE C C 13 173.301 . . 1 . . . . 54 I C . 15678 1 554 . 1 1 54 54 ILE CA C 13 60.818 . . 1 . . . . 54 I CA . 15678 1 555 . 1 1 54 54 ILE CB C 13 43.567 . . 1 . . . . 54 I CB . 15678 1 556 . 1 1 54 54 ILE CD1 C 13 15.209 . . 1 . . . . 54 I CD1 . 15678 1 557 . 1 1 54 54 ILE CG1 C 13 28.266 . . 1 . . . . 54 I CG1 . 15678 1 558 . 1 1 54 54 ILE CG2 C 13 18.331 . . 1 . . . . 54 I CG2 . 15678 1 559 . 1 1 54 54 ILE N N 15 121.089 . . 1 . . . . 54 I N . 15678 1 560 . 1 1 55 55 PHE H H 1 9.186 . . 1 . . . . 55 F H . 15678 1 561 . 1 1 55 55 PHE HA H 1 5.670 . . 1 . . . . 55 F HA . 15678 1 562 . 1 1 55 55 PHE HB2 H 1 3.192 . . 2 . . . . 55 F QB . 15678 1 563 . 1 1 55 55 PHE HB3 H 1 3.192 . . 2 . . . . 55 F QB . 15678 1 564 . 1 1 55 55 PHE C C 13 173.658 . . 1 . . . . 55 F C . 15678 1 565 . 1 1 55 55 PHE CA C 13 56.053 . . 1 . . . . 55 F CA . 15678 1 566 . 1 1 55 55 PHE CB C 13 41.660 . . 1 . . . . 55 F CB . 15678 1 567 . 1 1 55 55 PHE N N 15 129.754 . . 1 . . . . 55 F N . 15678 1 568 . 1 1 56 56 TYR H H 1 8.704 . . 1 . . . . 56 Y H . 15678 1 569 . 1 1 56 56 TYR HA H 1 5.691 . . 1 . . . . 56 Y HA . 15678 1 570 . 1 1 56 56 TYR HB2 H 1 3.243 . . 2 . . . . 56 Y HB2 . 15678 1 571 . 1 1 56 56 TYR HB3 H 1 2.866 . . 2 . . . . 56 Y HB3 . 15678 1 572 . 1 1 56 56 TYR HD1 H 1 7.453 . . 3 . . . . 56 Y QD . 15678 1 573 . 1 1 56 56 TYR HD2 H 1 7.453 . . 3 . . . . 56 Y QD . 15678 1 574 . 1 1 56 56 TYR HE1 H 1 6.759 . . 3 . . . . 56 Y QE . 15678 1 575 . 1 1 56 56 TYR HE2 H 1 6.759 . . 3 . . . . 56 Y QE . 15678 1 576 . 1 1 56 56 TYR C C 13 172.941 . . 1 . . . . 56 Y C . 15678 1 577 . 1 1 56 56 TYR CA C 13 53.313 . . 1 . . . . 56 Y CA . 15678 1 578 . 1 1 56 56 TYR CB C 13 42.232 . . 1 . . . . 56 Y CB . 15678 1 579 . 1 1 56 56 TYR CD1 C 13 129.373 . . 3 . . . . 56 Y CD1 . 15678 1 580 . 1 1 56 56 TYR N N 15 128.135 . . 1 . . . . 56 Y N . 15678 1 581 . 1 1 57 57 VAL H H 1 8.269 . . 1 . . . . 57 V H . 15678 1 582 . 1 1 57 57 VAL HA H 1 3.959 . . 1 . . . . 57 V HA . 15678 1 583 . 1 1 57 57 VAL HB H 1 1.491 . . 1 . . . . 57 V HB . 15678 1 584 . 1 1 57 57 VAL HG11 H 1 0.869 . . 1 . . . . 57 V QG1 . 15678 1 585 . 1 1 57 57 VAL HG12 H 1 0.869 . . 1 . . . . 57 V QG1 . 15678 1 586 . 1 1 57 57 VAL HG13 H 1 0.869 . . 1 . . . . 57 V QG1 . 15678 1 587 . 1 1 57 57 VAL HG21 H 1 0.364 . . 1 . . . . 57 V QG2 . 15678 1 588 . 1 1 57 57 VAL HG22 H 1 0.364 . . 1 . . . . 57 V QG2 . 15678 1 589 . 1 1 57 57 VAL HG23 H 1 0.364 . . 1 . . . . 57 V QG2 . 15678 1 590 . 1 1 57 57 VAL C C 13 169.379 . . 1 . . . . 57 V C . 15678 1 591 . 1 1 57 57 VAL CA C 13 60.144 . . 1 . . . . 57 V CA . 15678 1 592 . 1 1 57 57 VAL CB C 13 34.017 . . 1 . . . . 57 V CB . 15678 1 593 . 1 1 57 57 VAL CG1 C 13 22.238 . . 2 . . . . 57 V CG1 . 15678 1 594 . 1 1 57 57 VAL CG2 C 13 21.016 . . 2 . . . . 57 V CG2 . 15678 1 595 . 1 1 57 57 VAL N N 15 129.474 . . 1 . . . . 57 V N . 15678 1 596 . 1 1 58 58 LEU H H 1 8.807 . . 1 . . . . 58 L H . 15678 1 597 . 1 1 58 58 LEU HA H 1 3.714 . . 1 . . . . 58 L HA . 15678 1 598 . 1 1 58 58 LEU HB2 H 1 1.761 . . 2 . . . . 58 L HB2 . 15678 1 599 . 1 1 58 58 LEU HB3 H 1 1.610 . . 2 . . . . 58 L HB3 . 15678 1 600 . 1 1 58 58 LEU HD11 H 1 0.984 . . 1 . . . . 58 L QD1 . 15678 1 601 . 1 1 58 58 LEU HD12 H 1 0.984 . . 1 . . . . 58 L QD1 . 15678 1 602 . 1 1 58 58 LEU HD13 H 1 0.984 . . 1 . . . . 58 L QD1 . 15678 1 603 . 1 1 58 58 LEU HD21 H 1 0.931 . . 1 . . . . 58 L QD2 . 15678 1 604 . 1 1 58 58 LEU HD22 H 1 0.931 . . 1 . . . . 58 L QD2 . 15678 1 605 . 1 1 58 58 LEU HD23 H 1 0.931 . . 1 . . . . 58 L QD2 . 15678 1 606 . 1 1 58 58 LEU HG H 1 1.702 . . 1 . . . . 58 L HG . 15678 1 607 . 1 1 58 58 LEU C C 13 174.433 . . 1 . . . . 58 L C . 15678 1 608 . 1 1 58 58 LEU CA C 13 56.753 . . 1 . . . . 58 L CA . 15678 1 609 . 1 1 58 58 LEU CB C 13 41.098 . . 1 . . . . 58 L CB . 15678 1 610 . 1 1 58 58 LEU CD1 C 13 25.191 . . 2 . . . . 58 L CD1 . 15678 1 611 . 1 1 58 58 LEU CD2 C 13 23.636 . . 2 . . . . 58 L CD2 . 15678 1 612 . 1 1 58 58 LEU CG C 13 27.279 . . 1 . . . . 58 L CG . 15678 1 613 . 1 1 58 58 LEU N N 15 121.980 . . 1 . . . . 58 L N . 15678 1 614 . 1 1 59 59 ASP H H 1 8.549 . . 1 . . . . 59 D H . 15678 1 615 . 1 1 59 59 ASP HA H 1 4.875 . . 1 . . . . 59 D HA . 15678 1 616 . 1 1 59 59 ASP HB2 H 1 3.238 . . 2 . . . . 59 D HB2 . 15678 1 617 . 1 1 59 59 ASP HB3 H 1 2.037 . . 2 . . . . 59 D HB3 . 15678 1 618 . 1 1 59 59 ASP C C 13 174.191 . . 1 . . . . 59 D C . 15678 1 619 . 1 1 59 59 ASP CA C 13 51.853 . . 1 . . . . 59 D CA . 15678 1 620 . 1 1 59 59 ASP CB C 13 40.239 . . 1 . . . . 59 D CB . 15678 1 621 . 1 1 59 59 ASP N N 15 121.379 . . 1 . . . . 59 D N . 15678 1 622 . 1 1 60 60 PHE H H 1 9.034 . . 1 . . . . 60 F H . 15678 1 623 . 1 1 60 60 PHE HA H 1 5.693 . . 1 . . . . 60 F HA . 15678 1 624 . 1 1 60 60 PHE HB2 H 1 3.130 . . 2 . . . . 60 F HB2 . 15678 1 625 . 1 1 60 60 PHE HB3 H 1 2.899 . . 2 . . . . 60 F HB3 . 15678 1 626 . 1 1 60 60 PHE HD1 H 1 7.187 . . 3 . . . . 60 F QD . 15678 1 627 . 1 1 60 60 PHE HD2 H 1 7.187 . . 3 . . . . 60 F QD . 15678 1 628 . 1 1 60 60 PHE C C 13 172.951 . . 1 . . . . 60 F C . 15678 1 629 . 1 1 60 60 PHE CA C 13 57.072 . . 1 . . . . 60 F CA . 15678 1 630 . 1 1 60 60 PHE CB C 13 42.169 . . 1 . . . . 60 F CB . 15678 1 631 . 1 1 60 60 PHE CD1 C 13 129.578 . . 3 . . . . 60 F CD1 . 15678 1 632 . 1 1 60 60 PHE N N 15 116.831 . . 1 . . . . 60 F N . 15678 1 633 . 1 1 61 61 ILE H H 1 8.757 . . 1 . . . . 61 I H . 15678 1 634 . 1 1 61 61 ILE HA H 1 5.814 . . 1 . . . . 61 I HA . 15678 1 635 . 1 1 61 61 ILE HB H 1 1.737 . . 1 . . . . 61 I HB . 15678 1 636 . 1 1 61 61 ILE HD11 H 1 0.871 . . 1 . . . . 61 I QD1 . 15678 1 637 . 1 1 61 61 ILE HD12 H 1 0.871 . . 1 . . . . 61 I QD1 . 15678 1 638 . 1 1 61 61 ILE HD13 H 1 0.871 . . 1 . . . . 61 I QD1 . 15678 1 639 . 1 1 61 61 ILE HG12 H 1 1.806 . . 2 . . . . 61 I HG12 . 15678 1 640 . 1 1 61 61 ILE HG13 H 1 1.219 . . 2 . . . . 61 I HG13 . 15678 1 641 . 1 1 61 61 ILE HG21 H 1 0.847 . . 1 . . . . 61 I QG2 . 15678 1 642 . 1 1 61 61 ILE HG22 H 1 0.847 . . 1 . . . . 61 I QG2 . 15678 1 643 . 1 1 61 61 ILE HG23 H 1 0.847 . . 1 . . . . 61 I QG2 . 15678 1 644 . 1 1 61 61 ILE C C 13 175.626 . . 1 . . . . 61 I C . 15678 1 645 . 1 1 61 61 ILE CA C 13 58.111 . . 1 . . . . 61 I CA . 15678 1 646 . 1 1 61 61 ILE CB C 13 41.143 . . 1 . . . . 61 I CB . 15678 1 647 . 1 1 61 61 ILE CD1 C 13 14.464 . . 1 . . . . 61 I CD1 . 15678 1 648 . 1 1 61 61 ILE CG1 C 13 26.186 . . 1 . . . . 61 I CG1 . 15678 1 649 . 1 1 61 61 ILE CG2 C 13 18.760 . . 1 . . . . 61 I CG2 . 15678 1 650 . 1 1 61 61 ILE N N 15 109.598 . . 1 . . . . 61 I N . 15678 1 651 . 1 1 62 62 SER H H 1 9.728 . . 1 . . . . 62 S H . 15678 1 652 . 1 1 62 62 SER HA H 1 5.496 . . 1 . . . . 62 S HA . 15678 1 653 . 1 1 62 62 SER HB2 H 1 3.871 . . 2 . . . . 62 S QB . 15678 1 654 . 1 1 62 62 SER HB3 H 1 3.871 . . 2 . . . . 62 S QB . 15678 1 655 . 1 1 62 62 SER C C 13 174.703 . . 1 . . . . 62 S C . 15678 1 656 . 1 1 62 62 SER CA C 13 56.703 . . 1 . . . . 62 S CA . 15678 1 657 . 1 1 62 62 SER CB C 13 64.316 . . 1 . . . . 62 S CB . 15678 1 658 . 1 1 62 62 SER N N 15 119.961 . . 1 . . . . 62 S N . 15678 1 659 . 1 1 63 63 ILE H H 1 9.463 . . 1 . . . . 63 I H . 15678 1 660 . 1 1 63 63 ILE HA H 1 4.732 . . 1 . . . . 63 I HA . 15678 1 661 . 1 1 63 63 ILE HB H 1 1.902 . . 1 . . . . 63 I HB . 15678 1 662 . 1 1 63 63 ILE HG21 H 1 0.983 . . 1 . . . . 63 I QG2 . 15678 1 663 . 1 1 63 63 ILE HG22 H 1 0.983 . . 1 . . . . 63 I QG2 . 15678 1 664 . 1 1 63 63 ILE HG23 H 1 0.983 . . 1 . . . . 63 I QG2 . 15678 1 665 . 1 1 63 63 ILE C C 13 173.944 . . 1 . . . . 63 I C . 15678 1 666 . 1 1 63 63 ILE CA C 13 60.654 . . 1 . . . . 63 I CA . 15678 1 667 . 1 1 63 63 ILE CB C 13 41.392 . . 1 . . . . 63 I CB . 15678 1 668 . 1 1 63 63 ILE CD1 C 13 15.120 . . 1 . . . . 63 I CD1 . 15678 1 669 . 1 1 63 63 ILE CG1 C 13 27.440 . . 1 . . . . 63 I CG1 . 15678 1 670 . 1 1 63 63 ILE CG2 C 13 17.349 . . 1 . . . . 63 I CG2 . 15678 1 671 . 1 1 63 63 ILE N N 15 127.610 . . 1 . . . . 63 I N . 15678 1 672 . 1 1 64 64 ASP H H 1 9.264 . . 1 . . . . 64 D H . 15678 1 673 . 1 1 64 64 ASP HA H 1 6.139 . . 1 . . . . 64 D HA . 15678 1 674 . 1 1 64 64 ASP HB2 H 1 2.813 . . 2 . . . . 64 D HB2 . 15678 1 675 . 1 1 64 64 ASP HB3 H 1 2.421 . . 2 . . . . 64 D HB3 . 15678 1 676 . 1 1 64 64 ASP C C 13 176.265 . . 1 . . . . 64 D C . 15678 1 677 . 1 1 64 64 ASP CA C 13 52.087 . . 1 . . . . 64 D CA . 15678 1 678 . 1 1 64 64 ASP CB C 13 41.563 . . 1 . . . . 64 D CB . 15678 1 679 . 1 1 64 64 ASP N N 15 127.540 . . 1 . . . . 64 D N . 15678 1 680 . 1 1 65 65 LYS H H 1 9.026 . . 1 . . . . 65 K H . 15678 1 681 . 1 1 65 65 LYS HA H 1 5.154 . . 1 . . . . 65 K HA . 15678 1 682 . 1 1 65 65 LYS HB2 H 1 0.958 . . 2 . . . . 65 K QB . 15678 1 683 . 1 1 65 65 LYS HB3 H 1 0.958 . . 2 . . . . 65 K QB . 15678 1 684 . 1 1 65 65 LYS HG2 H 1 0.424 . . 2 . . . . 65 K QG . 15678 1 685 . 1 1 65 65 LYS HG3 H 1 0.424 . . 2 . . . . 65 K QG . 15678 1 686 . 1 1 65 65 LYS C C 13 175.955 . . 1 . . . . 65 K C . 15678 1 687 . 1 1 65 65 LYS CA C 13 52.694 . . 1 . . . . 65 K CA . 15678 1 688 . 1 1 65 65 LYS CB C 13 35.768 . . 1 . . . . 65 K CB . 15678 1 689 . 1 1 65 65 LYS N N 15 120.570 . . 1 . . . . 65 K N . 15678 1 690 . 1 1 66 66 GLU H H 1 8.105 . . 1 . . . . 66 E H . 15678 1 691 . 1 1 66 66 GLU HA H 1 4.198 . . 1 . . . . 66 E HA . 15678 1 692 . 1 1 66 66 GLU HB2 H 1 2.048 . . 2 . . . . 66 E QB . 15678 1 693 . 1 1 66 66 GLU HB3 H 1 2.048 . . 2 . . . . 66 E QB . 15678 1 694 . 1 1 66 66 GLU HG2 H 1 2.339 . . 2 . . . . 66 E QG . 15678 1 695 . 1 1 66 66 GLU HG3 H 1 2.339 . . 2 . . . . 66 E QG . 15678 1 696 . 1 1 66 66 GLU C C 13 178.596 . . 1 . . . . 66 E C . 15678 1 697 . 1 1 66 66 GLU CA C 13 55.757 . . 1 . . . . 66 E CA . 15678 1 698 . 1 1 66 66 GLU CB C 13 30.317 . . 1 . . . . 66 E CB . 15678 1 699 . 1 1 66 66 GLU CG C 13 35.188 . . 1 . . . . 66 E CG . 15678 1 700 . 1 1 66 66 GLU N N 15 118.563 . . 1 . . . . 66 E N . 15678 1 701 . 1 1 67 67 ASP H H 1 8.947 . . 1 . . . . 67 D H . 15678 1 702 . 1 1 67 67 ASP HA H 1 4.742 . . 1 . . . . 67 D HA . 15678 1 703 . 1 1 67 67 ASP HB2 H 1 2.589 . . 2 . . . . 67 D QB . 15678 1 704 . 1 1 67 67 ASP HB3 H 1 2.589 . . 2 . . . . 67 D QB . 15678 1 705 . 1 1 67 67 ASP C C 13 177.242 . . 1 . . . . 67 D C . 15678 1 706 . 1 1 67 67 ASP CA C 13 57.874 . . 1 . . . . 67 D CA . 15678 1 707 . 1 1 67 67 ASP CB C 13 40.998 . . 1 . . . . 67 D CB . 15678 1 708 . 1 1 67 67 ASP N N 15 123.378 . . 1 . . . . 67 D N . 15678 1 709 . 1 1 68 68 ASN H H 1 8.174 . . 1 . . . . 68 N H . 15678 1 710 . 1 1 68 68 ASN HA H 1 4.551 . . 1 . . . . 68 N HA . 15678 1 711 . 1 1 68 68 ASN HB2 H 1 2.810 . . 2 . . . . 68 N HB2 . 15678 1 712 . 1 1 68 68 ASN HB3 H 1 2.616 . . 2 . . . . 68 N HB3 . 15678 1 713 . 1 1 68 68 ASN C C 13 175.246 . . 1 . . . . 68 N C . 15678 1 714 . 1 1 68 68 ASN CA C 13 53.013 . . 1 . . . . 68 N CA . 15678 1 715 . 1 1 68 68 ASN CB C 13 37.929 . . 1 . . . . 68 N CB . 15678 1 716 . 1 1 68 68 ASN N N 15 111.133 . . 1 . . . . 68 N N . 15678 1 717 . 1 1 69 69 ALA H H 1 7.204 . . 1 . . . . 69 A H . 15678 1 718 . 1 1 69 69 ALA HA H 1 4.430 . . 1 . . . . 69 A HA . 15678 1 719 . 1 1 69 69 ALA HB1 H 1 1.273 . . 1 . . . . 69 A QB . 15678 1 720 . 1 1 69 69 ALA HB2 H 1 1.273 . . 1 . . . . 69 A QB . 15678 1 721 . 1 1 69 69 ALA HB3 H 1 1.273 . . 1 . . . . 69 A QB . 15678 1 722 . 1 1 69 69 ALA C C 13 175.802 . . 1 . . . . 69 A C . 15678 1 723 . 1 1 69 69 ALA CA C 13 50.954 . . 1 . . . . 69 A CA . 15678 1 724 . 1 1 69 69 ALA CB C 13 20.234 . . 1 . . . . 69 A CB . 15678 1 725 . 1 1 69 69 ALA N N 15 122.453 . . 1 . . . . 69 A N . 15678 1 726 . 1 1 70 70 ASN H H 1 9.005 . . 1 . . . . 70 N H . 15678 1 727 . 1 1 70 70 ASN HA H 1 5.008 . . 1 . . . . 70 N HA . 15678 1 728 . 1 1 70 70 ASN HB2 H 1 2.846 . . 2 . . . . 70 N HB2 . 15678 1 729 . 1 1 70 70 ASN HB3 H 1 2.700 . . 2 . . . . 70 N HB3 . 15678 1 730 . 1 1 70 70 ASN HD21 H 1 6.988 . . 2 . . . . 70 N HD21 . 15678 1 731 . 1 1 70 70 ASN HD22 H 1 7.711 . . 2 . . . . 70 N HD22 . 15678 1 732 . 1 1 70 70 ASN C C 13 176.841 . . 1 . . . . 70 N C . 15678 1 733 . 1 1 70 70 ASN CA C 13 51.406 . . 1 . . . . 70 N CA . 15678 1 734 . 1 1 70 70 ASN CB C 13 41.539 . . 1 . . . . 70 N CB . 15678 1 735 . 1 1 70 70 ASN N N 15 119.024 . . 1 . . . . 70 N N . 15678 1 736 . 1 1 70 70 ASN ND2 N 15 112.888 . . 1 . . . . 70 N ND2 . 15678 1 737 . 1 1 71 71 TRP H H 1 9.499 . . 1 . . . . 71 W H . 15678 1 738 . 1 1 71 71 TRP HA H 1 4.747 . . 1 . . . . 71 W HA . 15678 1 739 . 1 1 71 71 TRP HB2 H 1 3.276 . . 2 . . . . 71 W QB . 15678 1 740 . 1 1 71 71 TRP HB3 H 1 3.276 . . 2 . . . . 71 W QB . 15678 1 741 . 1 1 71 71 TRP HD1 H 1 7.418 . . 1 . . . . 71 W HD1 . 15678 1 742 . 1 1 71 71 TRP HE1 H 1 9.910 . . 1 . . . . 71 W HE1 . 15678 1 743 . 1 1 71 71 TRP HZ2 H 1 7.492 . . 1 . . . . 71 W HZ2 . 15678 1 744 . 1 1 71 71 TRP C C 13 177.470 . . 1 . . . . 71 W C . 15678 1 745 . 1 1 71 71 TRP CA C 13 61.027 . . 1 . . . . 71 W CA . 15678 1 746 . 1 1 71 71 TRP CB C 13 29.770 . . 1 . . . . 71 W CB . 15678 1 747 . 1 1 71 71 TRP CD1 C 13 124.962 . . 1 . . . . 71 W CD1 . 15678 1 748 . 1 1 71 71 TRP CZ2 C 13 112.301 . . 1 . . . . 71 W CZ2 . 15678 1 749 . 1 1 71 71 TRP N N 15 126.397 . . 1 . . . . 71 W N . 15678 1 750 . 1 1 72 72 ASN H H 1 8.937 . . 1 . . . . 72 N H . 15678 1 751 . 1 1 72 72 ASN HA H 1 4.511 . . 1 . . . . 72 N HA . 15678 1 752 . 1 1 72 72 ASN HB2 H 1 2.834 . . 2 . . . . 72 N QB . 15678 1 753 . 1 1 72 72 ASN HB3 H 1 2.834 . . 2 . . . . 72 N QB . 15678 1 754 . 1 1 72 72 ASN C C 13 176.805 . . 1 . . . . 72 N C . 15678 1 755 . 1 1 72 72 ASN CA C 13 56.024 . . 1 . . . . 72 N CA . 15678 1 756 . 1 1 72 72 ASN CB C 13 37.365 . . 1 . . . . 72 N CB . 15678 1 757 . 1 1 72 72 ASN N N 15 115.692 . . 1 . . . . 72 N N . 15678 1 758 . 1 1 73 73 GLU H H 1 7.357 . . 1 . . . . 73 E H . 15678 1 759 . 1 1 73 73 GLU HA H 1 4.391 . . 1 . . . . 73 E HA . 15678 1 760 . 1 1 73 73 GLU HB2 H 1 2.263 . . 2 . . . . 73 E QB . 15678 1 761 . 1 1 73 73 GLU HB3 H 1 2.263 . . 2 . . . . 73 E QB . 15678 1 762 . 1 1 73 73 GLU HG2 H 1 2.252 . . 2 . . . . 73 E QG . 15678 1 763 . 1 1 73 73 GLU HG3 H 1 2.252 . . 2 . . . . 73 E QG . 15678 1 764 . 1 1 73 73 GLU C C 13 179.215 . . 1 . . . . 73 E C . 15678 1 765 . 1 1 73 73 GLU CA C 13 57.157 . . 1 . . . . 73 E CA . 15678 1 766 . 1 1 73 73 GLU CB C 13 30.612 . . 1 . . . . 73 E CB . 15678 1 767 . 1 1 73 73 GLU CG C 13 36.608 . . 1 . . . . 73 E CG . 15678 1 768 . 1 1 73 73 GLU N N 15 116.213 . . 1 . . . . 73 E N . 15678 1 769 . 1 1 74 74 LEU H H 1 7.984 . . 1 . . . . 74 L H . 15678 1 770 . 1 1 74 74 LEU HA H 1 4.188 . . 1 . . . . 74 L HA . 15678 1 771 . 1 1 74 74 LEU HB2 H 1 1.830 . . 2 . . . . 74 L HB2 . 15678 1 772 . 1 1 74 74 LEU HB3 H 1 1.467 . . 2 . . . . 74 L HB3 . 15678 1 773 . 1 1 74 74 LEU HD11 H 1 0.412 . . 1 . . . . 74 L QD1 . 15678 1 774 . 1 1 74 74 LEU HD12 H 1 0.412 . . 1 . . . . 74 L QD1 . 15678 1 775 . 1 1 74 74 LEU HD13 H 1 0.412 . . 1 . . . . 74 L QD1 . 15678 1 776 . 1 1 74 74 LEU HG H 1 1.546 . . 1 . . . . 74 L HG . 15678 1 777 . 1 1 74 74 LEU C C 13 179.245 . . 1 . . . . 74 L C . 15678 1 778 . 1 1 74 74 LEU CA C 13 58.085 . . 1 . . . . 74 L CA . 15678 1 779 . 1 1 74 74 LEU CB C 13 44.123 . . 1 . . . . 74 L CB . 15678 1 780 . 1 1 74 74 LEU CD1 C 13 25.812 . . 2 . . . . 74 L CD1 . 15678 1 781 . 1 1 74 74 LEU CD2 C 13 24.657 . . 2 . . . . 74 L CD2 . 15678 1 782 . 1 1 74 74 LEU CG C 13 27.242 . . 1 . . . . 74 L CG . 15678 1 783 . 1 1 74 74 LEU N N 15 121.127 . . 1 . . . . 74 L N . 15678 1 784 . 1 1 75 75 LEU H H 1 9.207 . . 1 . . . . 75 L H . 15678 1 785 . 1 1 75 75 LEU HA H 1 4.570 . . 1 . . . . 75 L HA . 15678 1 786 . 1 1 75 75 LEU HB2 H 1 2.080 . . 2 . . . . 75 L HB2 . 15678 1 787 . 1 1 75 75 LEU HB3 H 1 1.647 . . 2 . . . . 75 L HB3 . 15678 1 788 . 1 1 75 75 LEU CA C 13 60.668 . . 1 . . . . 75 L CA . 15678 1 789 . 1 1 75 75 LEU CB C 13 39.050 . . 1 . . . . 75 L CB . 15678 1 790 . 1 1 75 75 LEU N N 15 119.425 . . 1 . . . . 75 L N . 15678 1 791 . 1 1 76 76 PRO HA H 1 4.409 . . 1 . . . . 76 P HA . 15678 1 792 . 1 1 76 76 PRO HB2 H 1 2.356 . . 2 . . . . 76 P HB2 . 15678 1 793 . 1 1 76 76 PRO HB3 H 1 1.791 . . 2 . . . . 76 P HB3 . 15678 1 794 . 1 1 76 76 PRO HD2 H 1 3.617 . . 2 . . . . 76 P HD2 . 15678 1 795 . 1 1 76 76 PRO HD3 H 1 3.501 . . 2 . . . . 76 P HD3 . 15678 1 796 . 1 1 76 76 PRO HG2 H 1 2.116 . . 2 . . . . 76 P HG2 . 15678 1 797 . 1 1 76 76 PRO HG3 H 1 2.004 . . 2 . . . . 76 P HG3 . 15678 1 798 . 1 1 76 76 PRO C C 13 179.797 . . 1 . . . . 76 P C . 15678 1 799 . 1 1 76 76 PRO CA C 13 65.933 . . 1 . . . . 76 P CA . 15678 1 800 . 1 1 76 76 PRO CB C 13 31.047 . . 1 . . . . 76 P CB . 15678 1 801 . 1 1 76 76 PRO CD C 13 50.399 . . 1 . . . . 76 P CD . 15678 1 802 . 1 1 76 76 PRO CG C 13 28.514 . . 1 . . . . 76 P CG . 15678 1 803 . 1 1 77 77 GLN H H 1 6.754 . . 1 . . . . 77 Q H . 15678 1 804 . 1 1 77 77 GLN HA H 1 4.204 . . 1 . . . . 77 Q HA . 15678 1 805 . 1 1 77 77 GLN HB2 H 1 2.224 . . 2 . . . . 77 Q QB . 15678 1 806 . 1 1 77 77 GLN HB3 H 1 2.224 . . 2 . . . . 77 Q QB . 15678 1 807 . 1 1 77 77 GLN HG2 H 1 2.562 . . 2 . . . . 77 Q QG . 15678 1 808 . 1 1 77 77 GLN HG3 H 1 2.562 . . 2 . . . . 77 Q QG . 15678 1 809 . 1 1 77 77 GLN C C 13 179.293 . . 1 . . . . 77 Q C . 15678 1 810 . 1 1 77 77 GLN CA C 13 58.629 . . 1 . . . . 77 Q CA . 15678 1 811 . 1 1 77 77 GLN CB C 13 30.569 . . 1 . . . . 77 Q CB . 15678 1 812 . 1 1 77 77 GLN CG C 13 35.216 . . 1 . . . . 77 Q CG . 15678 1 813 . 1 1 77 77 GLN N N 15 113.763 . . 1 . . . . 77 Q N . 15678 1 814 . 1 1 78 78 ILE H H 1 8.495 . . 1 . . . . 78 I H . 15678 1 815 . 1 1 78 78 ILE HA H 1 3.411 . . 1 . . . . 78 I HA . 15678 1 816 . 1 1 78 78 ILE HB H 1 1.892 . . 1 . . . . 78 I HB . 15678 1 817 . 1 1 78 78 ILE HG21 H 1 0.873 . . 1 . . . . 78 I QG2 . 15678 1 818 . 1 1 78 78 ILE HG22 H 1 0.873 . . 1 . . . . 78 I QG2 . 15678 1 819 . 1 1 78 78 ILE HG23 H 1 0.873 . . 1 . . . . 78 I QG2 . 15678 1 820 . 1 1 78 78 ILE C C 13 178.185 . . 1 . . . . 78 I C . 15678 1 821 . 1 1 78 78 ILE CA C 13 65.848 . . 1 . . . . 78 I CA . 15678 1 822 . 1 1 78 78 ILE CB C 13 38.221 . . 1 . . . . 78 I CB . 15678 1 823 . 1 1 78 78 ILE CG1 C 13 29.387 . . 1 . . . . 78 I CG1 . 15678 1 824 . 1 1 78 78 ILE CG2 C 13 15.641 . . 1 . . . . 78 I CG2 . 15678 1 825 . 1 1 78 78 ILE N N 15 123.926 . . 1 . . . . 78 I N . 15678 1 826 . 1 1 79 79 GLU H H 1 8.752 . . 1 . . . . 79 E H . 15678 1 827 . 1 1 79 79 GLU HA H 1 3.917 . . 1 . . . . 79 E HA . 15678 1 828 . 1 1 79 79 GLU HB2 H 1 2.043 . . 2 . . . . 79 E QB . 15678 1 829 . 1 1 79 79 GLU HB3 H 1 2.043 . . 2 . . . . 79 E QB . 15678 1 830 . 1 1 79 79 GLU HG2 H 1 2.363 . . 2 . . . . 79 E QG . 15678 1 831 . 1 1 79 79 GLU HG3 H 1 2.363 . . 2 . . . . 79 E QG . 15678 1 832 . 1 1 79 79 GLU C C 13 179.921 . . 1 . . . . 79 E C . 15678 1 833 . 1 1 79 79 GLU CA C 13 60.407 . . 1 . . . . 79 E CA . 15678 1 834 . 1 1 79 79 GLU CB C 13 29.681 . . 1 . . . . 79 E CB . 15678 1 835 . 1 1 79 79 GLU CG C 13 36.734 . . 1 . . . . 79 E CG . 15678 1 836 . 1 1 79 79 GLU N N 15 119.033 . . 1 . . . . 79 E N . 15678 1 837 . 1 1 80 80 ASN H H 1 8.064 . . 1 . . . . 80 N H . 15678 1 838 . 1 1 80 80 ASN HA H 1 4.547 . . 1 . . . . 80 N HA . 15678 1 839 . 1 1 80 80 ASN HB2 H 1 2.879 . . 2 . . . . 80 N QB . 15678 1 840 . 1 1 80 80 ASN HB3 H 1 2.879 . . 2 . . . . 80 N QB . 15678 1 841 . 1 1 80 80 ASN C C 13 177.064 . . 1 . . . . 80 N C . 15678 1 842 . 1 1 80 80 ASN CA C 13 55.810 . . 1 . . . . 80 N CA . 15678 1 843 . 1 1 80 80 ASN CB C 13 38.614 . . 1 . . . . 80 N CB . 15678 1 844 . 1 1 80 80 ASN N N 15 117.149 . . 1 . . . . 80 N N . 15678 1 845 . 1 1 81 81 THR H H 1 7.889 . . 1 . . . . 81 T H . 15678 1 846 . 1 1 81 81 THR HA H 1 3.869 . . 1 . . . . 81 T HA . 15678 1 847 . 1 1 81 81 THR HB H 1 4.130 . . 1 . . . . 81 T HB . 15678 1 848 . 1 1 81 81 THR HG21 H 1 0.902 . . 1 . . . . 81 T QG2 . 15678 1 849 . 1 1 81 81 THR HG22 H 1 0.902 . . 1 . . . . 81 T QG2 . 15678 1 850 . 1 1 81 81 THR HG23 H 1 0.902 . . 1 . . . . 81 T QG2 . 15678 1 851 . 1 1 81 81 THR C C 13 175.771 . . 1 . . . . 81 T C . 15678 1 852 . 1 1 81 81 THR CA C 13 66.522 . . 1 . . . . 81 T CA . 15678 1 853 . 1 1 81 81 THR CB C 13 68.487 . . 1 . . . . 81 T CB . 15678 1 854 . 1 1 81 81 THR CG2 C 13 21.639 . . 1 . . . . 81 T CG2 . 15678 1 855 . 1 1 81 81 THR N N 15 115.042 . . 1 . . . . 81 T N . 15678 1 856 . 1 1 82 82 PHE H H 1 7.510 . . 1 . . . . 82 F H . 15678 1 857 . 1 1 82 82 PHE HA H 1 4.259 . . 1 . . . . 82 F HA . 15678 1 858 . 1 1 82 82 PHE HB2 H 1 3.252 . . 2 . . . . 82 F HB2 . 15678 1 859 . 1 1 82 82 PHE HB3 H 1 2.853 . . 2 . . . . 82 F HB3 . 15678 1 860 . 1 1 82 82 PHE HD1 H 1 7.245 . . 3 . . . . 82 F QD . 15678 1 861 . 1 1 82 82 PHE HD2 H 1 7.245 . . 3 . . . . 82 F QD . 15678 1 862 . 1 1 82 82 PHE C C 13 176.596 . . 1 . . . . 82 F C . 15678 1 863 . 1 1 82 82 PHE CA C 13 60.309 . . 1 . . . . 82 F CA . 15678 1 864 . 1 1 82 82 PHE CB C 13 39.645 . . 1 . . . . 82 F CB . 15678 1 865 . 1 1 82 82 PHE N N 15 119.325 . . 1 . . . . 82 F N . 15678 1 866 . 1 1 83 83 ALA H H 1 7.809 . . 1 . . . . 83 A H . 15678 1 867 . 1 1 83 83 ALA HA H 1 4.283 . . 1 . . . . 83 A HA . 15678 1 868 . 1 1 83 83 ALA HB1 H 1 1.496 . . 1 . . . . 83 A QB . 15678 1 869 . 1 1 83 83 ALA HB2 H 1 1.496 . . 1 . . . . 83 A QB . 15678 1 870 . 1 1 83 83 ALA HB3 H 1 1.496 . . 1 . . . . 83 A QB . 15678 1 871 . 1 1 83 83 ALA C C 13 178.843 . . 1 . . . . 83 A C . 15678 1 872 . 1 1 83 83 ALA CA C 13 54.045 . . 1 . . . . 83 A CA . 15678 1 873 . 1 1 83 83 ALA CB C 13 18.895 . . 1 . . . . 83 A CB . 15678 1 874 . 1 1 83 83 ALA N N 15 122.718 . . 1 . . . . 83 A N . 15678 1 875 . 1 1 84 84 LYS H H 1 8.154 . . 1 . . . . 84 K H . 15678 1 876 . 1 1 84 84 LYS HA H 1 4.209 . . 1 . . . . 84 K HA . 15678 1 877 . 1 1 84 84 LYS HB2 H 1 1.810 . . 2 . . . . 84 K QB . 15678 1 878 . 1 1 84 84 LYS HB3 H 1 1.810 . . 2 . . . . 84 K QB . 15678 1 879 . 1 1 84 84 LYS HE2 H 1 2.899 . . 2 . . . . 84 K QE . 15678 1 880 . 1 1 84 84 LYS HE3 H 1 2.899 . . 2 . . . . 84 K QE . 15678 1 881 . 1 1 84 84 LYS HG2 H 1 1.443 . . 2 . . . . 84 K HG2 . 15678 1 882 . 1 1 84 84 LYS C C 13 177.359 . . 1 . . . . 84 K C . 15678 1 883 . 1 1 84 84 LYS CA C 13 57.244 . . 1 . . . . 84 K CA . 15678 1 884 . 1 1 84 84 LYS CB C 13 32.663 . . 1 . . . . 84 K CB . 15678 1 885 . 1 1 84 84 LYS CD C 13 28.980 . . 1 . . . . 84 K CD . 15678 1 886 . 1 1 84 84 LYS CE C 13 41.938 . . 1 . . . . 84 K CE . 15678 1 887 . 1 1 84 84 LYS CG C 13 25.017 . . 1 . . . . 84 K CG . 15678 1 888 . 1 1 84 84 LYS N N 15 118.786 . . 1 . . . . 84 K N . 15678 1 889 . 1 1 85 85 SER H H 1 8.008 . . 1 . . . . 85 S H . 15678 1 890 . 1 1 85 85 SER HA H 1 4.346 . . 1 . . . . 85 S HA . 15678 1 891 . 1 1 85 85 SER HB2 H 1 3.845 . . 2 . . . . 85 S QB . 15678 1 892 . 1 1 85 85 SER HB3 H 1 3.845 . . 2 . . . . 85 S QB . 15678 1 893 . 1 1 85 85 SER C C 13 174.538 . . 1 . . . . 85 S C . 15678 1 894 . 1 1 85 85 SER CA C 13 59.102 . . 1 . . . . 85 S CA . 15678 1 895 . 1 1 85 85 SER CB C 13 63.579 . . 1 . . . . 85 S CB . 15678 1 896 . 1 1 85 85 SER N N 15 115.315 . . 1 . . . . 85 S N . 15678 1 897 . 1 1 86 86 ASN H H 1 8.219 . . 1 . . . . 86 N H . 15678 1 898 . 1 1 86 86 ASN HA H 1 4.713 . . 1 . . . . 86 N HA . 15678 1 899 . 1 1 86 86 ASN HB2 H 1 2.795 . . 2 . . . . 86 N QB . 15678 1 900 . 1 1 86 86 ASN HB3 H 1 2.795 . . 2 . . . . 86 N QB . 15678 1 901 . 1 1 86 86 ASN C C 13 175.351 . . 1 . . . . 86 N C . 15678 1 902 . 1 1 86 86 ASN CA C 13 53.706 . . 1 . . . . 86 N CA . 15678 1 903 . 1 1 86 86 ASN CB C 13 38.902 . . 1 . . . . 86 N CB . 15678 1 904 . 1 1 86 86 ASN N N 15 120.040 . . 1 . . . . 86 N N . 15678 1 905 . 1 1 87 87 LEU H H 1 8.011 . . 1 . . . . 87 L H . 15678 1 906 . 1 1 87 87 LEU HA H 1 4.206 . . 1 . . . . 87 L HA . 15678 1 907 . 1 1 87 87 LEU HB2 H 1 1.561 . . 2 . . . . 87 L QB . 15678 1 908 . 1 1 87 87 LEU HB3 H 1 1.561 . . 2 . . . . 87 L QB . 15678 1 909 . 1 1 87 87 LEU C C 13 177.488 . . 1 . . . . 87 L C . 15678 1 910 . 1 1 87 87 LEU CA C 13 55.714 . . 1 . . . . 87 L CA . 15678 1 911 . 1 1 87 87 LEU CB C 13 42.211 . . 1 . . . . 87 L CB . 15678 1 912 . 1 1 87 87 LEU CD1 C 13 24.843 . . 2 . . . . 87 L CD1 . 15678 1 913 . 1 1 87 87 LEU CD2 C 13 23.253 . . 2 . . . . 87 L CD2 . 15678 1 914 . 1 1 87 87 LEU CG C 13 26.638 . . 1 . . . . 87 L CG . 15678 1 915 . 1 1 87 87 LEU N N 15 121.439 . . 1 . . . . 87 L N . 15678 1 916 . 1 1 88 88 GLU H H 1 8.154 . . 1 . . . . 88 E H . 15678 1 917 . 1 1 88 88 GLU HA H 1 4.738 . . 1 . . . . 88 E HA . 15678 1 918 . 1 1 88 88 GLU HB2 H 1 1.858 . . 2 . . . . 88 E QB . 15678 1 919 . 1 1 88 88 GLU HB3 H 1 1.858 . . 2 . . . . 88 E QB . 15678 1 920 . 1 1 88 88 GLU HG2 H 1 2.146 . . 2 . . . . 88 E QG . 15678 1 921 . 1 1 88 88 GLU HG3 H 1 2.146 . . 2 . . . . 88 E QG . 15678 1 922 . 1 1 88 88 GLU CA C 13 56.651 . . 1 . . . . 88 E CA . 15678 1 923 . 1 1 88 88 GLU CB C 13 30.196 . . 1 . . . . 88 E CB . 15678 1 924 . 1 1 88 88 GLU N N 15 120.073 . . 1 . . . . 88 E N . 15678 1 stop_ save_