################################### # 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 17720 _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' . . . 17720 1 2 '3D HNCO' . . . 17720 1 3 '3D HNCA' . . . 17720 1 4 '3D HNCACB' . . . 17720 1 5 '3D HBHA(CO)NH' . . . 17720 1 7 '3D HCCH-TOCSY' . . . 17720 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 HE1 H 1 1.818 0.020 . 1 . . . A 1 MET HE1 . 17720 1 2 . 1 1 1 1 MET HE2 H 1 1.818 0.020 . 1 . . . A 1 MET HE2 . 17720 1 3 . 1 1 1 1 MET HE3 H 1 1.818 0.020 . 1 . . . A 1 MET HE3 . 17720 1 4 . 1 1 1 1 MET C C 13 171.800 0.400 . 1 . . . A 1 MET C . 17720 1 5 . 1 1 1 1 MET CE C 13 16.794 0.400 . 1 . . . A 1 MET CE . 17720 1 6 . 1 1 2 2 LEU H H 1 8.945 0.020 . 1 . . . A 2 LEU H . 17720 1 7 . 1 1 2 2 LEU HA H 1 4.802 0.020 . 1 . . . A 2 LEU HA . 17720 1 8 . 1 1 2 2 LEU HB2 H 1 1.598 0.020 . 2 . . . A 2 LEU HB2 . 17720 1 9 . 1 1 2 2 LEU HB3 H 1 1.554 0.020 . 2 . . . A 2 LEU HB3 . 17720 1 10 . 1 1 2 2 LEU HG H 1 1.467 0.020 . 1 . . . A 2 LEU HG . 17720 1 11 . 1 1 2 2 LEU HD11 H 1 0.842 0.020 . 2 . . . A 2 LEU HD11 . 17720 1 12 . 1 1 2 2 LEU HD12 H 1 0.842 0.020 . 2 . . . A 2 LEU HD12 . 17720 1 13 . 1 1 2 2 LEU HD13 H 1 0.842 0.020 . 2 . . . A 2 LEU HD13 . 17720 1 14 . 1 1 2 2 LEU C C 13 173.972 0.400 . 1 . . . A 2 LEU C . 17720 1 15 . 1 1 2 2 LEU CA C 13 53.764 0.400 . 1 . . . A 2 LEU CA . 17720 1 16 . 1 1 2 2 LEU CB C 13 46.507 0.400 . 1 . . . A 2 LEU CB . 17720 1 17 . 1 1 2 2 LEU CG C 13 26.832 0.400 . 1 . . . A 2 LEU CG . 17720 1 18 . 1 1 2 2 LEU CD1 C 13 25.189 0.400 . 1 . . . A 2 LEU CD1 . 17720 1 19 . 1 1 2 2 LEU N N 15 123.912 0.400 . 1 . . . A 2 LEU N . 17720 1 20 . 1 1 3 3 MET H H 1 8.599 0.020 . 1 . . . A 3 MET H . 17720 1 21 . 1 1 3 3 MET HA H 1 3.351 0.020 . 1 . . . A 3 MET HA . 17720 1 22 . 1 1 3 3 MET HB2 H 1 1.385 0.020 . 2 . . . A 3 MET HB2 . 17720 1 23 . 1 1 3 3 MET HB3 H 1 -0.162 0.020 . 2 . . . A 3 MET HB3 . 17720 1 24 . 1 1 3 3 MET HG2 H 1 1.280 0.020 . 2 . . . A 3 MET HG2 . 17720 1 25 . 1 1 3 3 MET HG3 H 1 1.190 0.020 . 2 . . . A 3 MET HG3 . 17720 1 26 . 1 1 3 3 MET HE1 H 1 1.676 0.020 . 1 . . . A 3 MET HE1 . 17720 1 27 . 1 1 3 3 MET HE2 H 1 1.676 0.020 . 1 . . . A 3 MET HE2 . 17720 1 28 . 1 1 3 3 MET HE3 H 1 1.676 0.020 . 1 . . . A 3 MET HE3 . 17720 1 29 . 1 1 3 3 MET C C 13 175.638 0.400 . 1 . . . A 3 MET C . 17720 1 30 . 1 1 3 3 MET CA C 13 55.693 0.400 . 1 . . . A 3 MET CA . 17720 1 31 . 1 1 3 3 MET CB C 13 31.123 0.400 . 1 . . . A 3 MET CB . 17720 1 32 . 1 1 3 3 MET CG C 13 32.284 0.400 . 1 . . . A 3 MET CG . 17720 1 33 . 1 1 3 3 MET CE C 13 17.226 0.400 . 1 . . . A 3 MET CE . 17720 1 34 . 1 1 3 3 MET N N 15 128.661 0.400 . 1 . . . A 3 MET N . 17720 1 35 . 1 1 4 4 ILE H H 1 8.829 0.020 . 1 . . . A 4 ILE H . 17720 1 36 . 1 1 4 4 ILE HA H 1 3.935 0.020 . 1 . . . A 4 ILE HA . 17720 1 37 . 1 1 4 4 ILE HB H 1 1.753 0.020 . 1 . . . A 4 ILE HB . 17720 1 38 . 1 1 4 4 ILE HG12 H 1 1.617 0.020 . 2 . . . A 4 ILE HG12 . 17720 1 39 . 1 1 4 4 ILE HG13 H 1 1.240 0.020 . 2 . . . A 4 ILE HG13 . 17720 1 40 . 1 1 4 4 ILE HG21 H 1 0.785 0.020 . 1 . . . A 4 ILE HG21 . 17720 1 41 . 1 1 4 4 ILE HG22 H 1 0.785 0.020 . 1 . . . A 4 ILE HG22 . 17720 1 42 . 1 1 4 4 ILE HG23 H 1 0.785 0.020 . 1 . . . A 4 ILE HG23 . 17720 1 43 . 1 1 4 4 ILE HD11 H 1 0.713 0.020 . 1 . . . A 4 ILE HD11 . 17720 1 44 . 1 1 4 4 ILE HD12 H 1 0.713 0.020 . 1 . . . A 4 ILE HD12 . 17720 1 45 . 1 1 4 4 ILE HD13 H 1 0.713 0.020 . 1 . . . A 4 ILE HD13 . 17720 1 46 . 1 1 4 4 ILE C C 13 174.936 0.400 . 1 . . . A 4 ILE C . 17720 1 47 . 1 1 4 4 ILE CA C 13 59.897 0.400 . 1 . . . A 4 ILE CA . 17720 1 48 . 1 1 4 4 ILE CB C 13 37.916 0.400 . 1 . . . A 4 ILE CB . 17720 1 49 . 1 1 4 4 ILE CG1 C 13 27.175 0.400 . 1 . . . A 4 ILE CG1 . 17720 1 50 . 1 1 4 4 ILE CG2 C 13 16.992 0.400 . 1 . . . A 4 ILE CG2 . 17720 1 51 . 1 1 4 4 ILE CD1 C 13 9.359 0.400 . 1 . . . A 4 ILE CD1 . 17720 1 52 . 1 1 4 4 ILE N N 15 127.704 0.400 . 1 . . . A 4 ILE N . 17720 1 53 . 1 1 5 5 THR H H 1 7.251 0.020 . 1 . . . A 5 THR H . 17720 1 54 . 1 1 5 5 THR HA H 1 4.233 0.020 . 1 . . . A 5 THR HA . 17720 1 55 . 1 1 5 5 THR HB H 1 3.981 0.020 . 1 . . . A 5 THR HB . 17720 1 56 . 1 1 5 5 THR HG21 H 1 0.377 0.020 . 1 . . . A 5 THR HG21 . 17720 1 57 . 1 1 5 5 THR HG22 H 1 0.377 0.020 . 1 . . . A 5 THR HG22 . 17720 1 58 . 1 1 5 5 THR HG23 H 1 0.377 0.020 . 1 . . . A 5 THR HG23 . 17720 1 59 . 1 1 5 5 THR C C 13 170.257 0.400 . 1 . . . A 5 THR C . 17720 1 60 . 1 1 5 5 THR CA C 13 60.257 0.400 . 1 . . . A 5 THR CA . 17720 1 61 . 1 1 5 5 THR CB C 13 66.389 0.400 . 1 . . . A 5 THR CB . 17720 1 62 . 1 1 5 5 THR CG2 C 13 18.563 0.400 . 1 . . . A 5 THR CG2 . 17720 1 63 . 1 1 5 5 THR N N 15 109.936 0.400 . 1 . . . A 5 THR N . 17720 1 64 . 1 1 6 6 SER H H 1 7.683 0.020 . 1 . . . A 6 SER H . 17720 1 65 . 1 1 6 6 SER HA H 1 5.338 0.020 . 1 . . . A 6 SER HA . 17720 1 66 . 1 1 6 6 SER HB2 H 1 3.530 0.020 . 2 . . . A 6 SER HB2 . 17720 1 67 . 1 1 6 6 SER HB3 H 1 3.406 0.020 . 2 . . . A 6 SER HB3 . 17720 1 68 . 1 1 6 6 SER C C 13 173.156 0.400 . 1 . . . A 6 SER C . 17720 1 69 . 1 1 6 6 SER CA C 13 56.818 0.400 . 1 . . . A 6 SER CA . 17720 1 70 . 1 1 6 6 SER CB C 13 64.943 0.400 . 1 . . . A 6 SER CB . 17720 1 71 . 1 1 6 6 SER N N 15 116.195 0.400 . 1 . . . A 6 SER N . 17720 1 72 . 1 1 7 7 PHE H H 1 8.912 0.020 . 1 . . . A 7 PHE H . 17720 1 73 . 1 1 7 7 PHE HA H 1 4.847 0.020 . 1 . . . A 7 PHE HA . 17720 1 74 . 1 1 7 7 PHE HB2 H 1 3.312 0.020 . 2 . . . A 7 PHE HB2 . 17720 1 75 . 1 1 7 7 PHE HB3 H 1 2.690 0.020 . 2 . . . A 7 PHE HB3 . 17720 1 76 . 1 1 7 7 PHE HD2 H 1 7.288 0.020 . 1 . . . A 7 PHE HD2 . 17720 1 77 . 1 1 7 7 PHE HE2 H 1 7.319 0.020 . 1 . . . A 7 PHE HE2 . 17720 1 78 . 1 1 7 7 PHE C C 13 175.395 0.400 . 1 . . . A 7 PHE C . 17720 1 79 . 1 1 7 7 PHE CA C 13 56.679 0.400 . 1 . . . A 7 PHE CA . 17720 1 80 . 1 1 7 7 PHE CB C 13 43.085 0.400 . 1 . . . A 7 PHE CB . 17720 1 81 . 1 1 7 7 PHE CD2 C 13 132.127 0.400 . 1 . . . A 7 PHE CD2 . 17720 1 82 . 1 1 7 7 PHE CE2 C 13 130.005 0.400 . 1 . . . A 7 PHE CE2 . 17720 1 83 . 1 1 7 7 PHE N N 15 121.991 0.400 . 1 . . . A 7 PHE N . 17720 1 84 . 1 1 8 8 ALA H H 1 8.974 0.020 . 1 . . . A 8 ALA H . 17720 1 85 . 1 1 8 8 ALA HA H 1 4.242 0.020 . 1 . . . A 8 ALA HA . 17720 1 86 . 1 1 8 8 ALA HB1 H 1 1.507 0.020 . 1 . . . A 8 ALA HB1 . 17720 1 87 . 1 1 8 8 ALA HB2 H 1 1.507 0.020 . 1 . . . A 8 ALA HB2 . 17720 1 88 . 1 1 8 8 ALA HB3 H 1 1.507 0.020 . 1 . . . A 8 ALA HB3 . 17720 1 89 . 1 1 8 8 ALA C C 13 177.901 0.400 . 1 . . . A 8 ALA C . 17720 1 90 . 1 1 8 8 ALA CA C 13 54.214 0.400 . 1 . . . A 8 ALA CA . 17720 1 91 . 1 1 8 8 ALA CB C 13 18.832 0.400 . 1 . . . A 8 ALA CB . 17720 1 92 . 1 1 8 8 ALA N N 15 124.623 0.400 . 1 . . . A 8 ALA N . 17720 1 93 . 1 1 9 9 ASN H H 1 8.294 0.020 . 1 . . . A 9 ASN H . 17720 1 94 . 1 1 9 9 ASN HA H 1 5.241 0.020 . 1 . . . A 9 ASN HA . 17720 1 95 . 1 1 9 9 ASN HB2 H 1 3.141 0.020 . 2 . . . A 9 ASN HB2 . 17720 1 96 . 1 1 9 9 ASN HB3 H 1 2.860 0.020 . 2 . . . A 9 ASN HB3 . 17720 1 97 . 1 1 9 9 ASN HD21 H 1 7.173 0.020 . 2 . . . A 9 ASN HD21 . 17720 1 98 . 1 1 9 9 ASN HD22 H 1 7.939 0.020 . 2 . . . A 9 ASN HD22 . 17720 1 99 . 1 1 9 9 ASN CA C 13 49.749 0.400 . 1 . . . A 9 ASN CA . 17720 1 100 . 1 1 9 9 ASN CB C 13 39.755 0.400 . 1 . . . A 9 ASN CB . 17720 1 101 . 1 1 9 9 ASN N N 15 116.371 0.400 . 1 . . . A 9 ASN N . 17720 1 102 . 1 1 9 9 ASN ND2 N 15 114.404 0.400 . 1 . . . A 9 ASN ND2 . 17720 1 103 . 1 1 10 10 PRO HA H 1 4.449 0.020 . 1 . . . A 10 PRO HA . 17720 1 104 . 1 1 10 10 PRO HB2 H 1 1.993 0.020 . 2 . . . A 10 PRO HB2 . 17720 1 105 . 1 1 10 10 PRO HB3 H 1 2.333 0.020 . 2 . . . A 10 PRO HB3 . 17720 1 106 . 1 1 10 10 PRO HG2 H 1 2.061 0.020 . 2 . . . A 10 PRO HG2 . 17720 1 107 . 1 1 10 10 PRO HD2 H 1 4.120 0.020 . 2 . . . A 10 PRO HD2 . 17720 1 108 . 1 1 10 10 PRO HD3 H 1 3.990 0.020 . 2 . . . A 10 PRO HD3 . 17720 1 109 . 1 1 10 10 PRO C C 13 179.214 0.400 . 1 . . . A 10 PRO C . 17720 1 110 . 1 1 10 10 PRO CA C 13 64.601 0.400 . 1 . . . A 10 PRO CA . 17720 1 111 . 1 1 10 10 PRO CB C 13 32.426 0.400 . 1 . . . A 10 PRO CB . 17720 1 112 . 1 1 10 10 PRO CG C 13 27.017 0.400 . 1 . . . A 10 PRO CG . 17720 1 113 . 1 1 10 10 PRO CD C 13 51.410 0.400 . 1 . . . A 10 PRO CD . 17720 1 114 . 1 1 11 11 ARG H H 1 8.115 0.020 . 1 . . . A 11 ARG H . 17720 1 115 . 1 1 11 11 ARG HA H 1 4.095 0.020 . 1 . . . A 11 ARG HA . 17720 1 116 . 1 1 11 11 ARG HB2 H 1 1.897 0.020 . 2 . . . A 11 ARG HB2 . 17720 1 117 . 1 1 11 11 ARG HG2 H 1 1.750 0.020 . 2 . . . A 11 ARG HG2 . 17720 1 118 . 1 1 11 11 ARG HG3 H 1 1.670 0.020 . 2 . . . A 11 ARG HG3 . 17720 1 119 . 1 1 11 11 ARG HD2 H 1 3.240 0.020 . 2 . . . A 11 ARG HD2 . 17720 1 120 . 1 1 11 11 ARG C C 13 179.686 0.400 . 1 . . . A 11 ARG C . 17720 1 121 . 1 1 11 11 ARG CA C 13 58.842 0.400 . 1 . . . A 11 ARG CA . 17720 1 122 . 1 1 11 11 ARG CB C 13 29.795 0.400 . 1 . . . A 11 ARG CB . 17720 1 123 . 1 1 11 11 ARG CG C 13 27.461 0.400 . 1 . . . A 11 ARG CG . 17720 1 124 . 1 1 11 11 ARG CD C 13 42.915 0.400 . 1 . . . A 11 ARG CD . 17720 1 125 . 1 1 11 11 ARG N N 15 118.394 0.400 . 1 . . . A 11 ARG N . 17720 1 126 . 1 1 12 12 VAL H H 1 7.296 0.020 . 1 . . . A 12 VAL H . 17720 1 127 . 1 1 12 12 VAL HA H 1 3.634 0.020 . 1 . . . A 12 VAL HA . 17720 1 128 . 1 1 12 12 VAL HB H 1 2.042 0.020 . 1 . . . A 12 VAL HB . 17720 1 129 . 1 1 12 12 VAL HG11 H 1 0.852 0.020 . 2 . . . A 12 VAL HG11 . 17720 1 130 . 1 1 12 12 VAL HG12 H 1 0.852 0.020 . 2 . . . A 12 VAL HG12 . 17720 1 131 . 1 1 12 12 VAL HG13 H 1 0.852 0.020 . 2 . . . A 12 VAL HG13 . 17720 1 132 . 1 1 12 12 VAL HG21 H 1 0.980 0.020 . 2 . . . A 12 VAL HG21 . 17720 1 133 . 1 1 12 12 VAL HG22 H 1 0.980 0.020 . 2 . . . A 12 VAL HG22 . 17720 1 134 . 1 1 12 12 VAL HG23 H 1 0.980 0.020 . 2 . . . A 12 VAL HG23 . 17720 1 135 . 1 1 12 12 VAL C C 13 176.892 0.400 . 1 . . . A 12 VAL C . 17720 1 136 . 1 1 12 12 VAL CA C 13 65.670 0.400 . 1 . . . A 12 VAL CA . 17720 1 137 . 1 1 12 12 VAL CB C 13 31.764 0.400 . 1 . . . A 12 VAL CB . 17720 1 138 . 1 1 12 12 VAL CG1 C 13 21.935 0.400 . 1 . . . A 12 VAL CG1 . 17720 1 139 . 1 1 12 12 VAL CG2 C 13 22.387 0.400 . 1 . . . A 12 VAL CG2 . 17720 1 140 . 1 1 12 12 VAL N N 15 122.322 0.400 . 1 . . . A 12 VAL N . 17720 1 141 . 1 1 13 13 ALA H H 1 6.905 0.020 . 1 . . . A 13 ALA H . 17720 1 142 . 1 1 13 13 ALA HA H 1 3.067 0.020 . 1 . . . A 13 ALA HA . 17720 1 143 . 1 1 13 13 ALA HB1 H 1 1.352 0.020 . 1 . . . A 13 ALA HB1 . 17720 1 144 . 1 1 13 13 ALA HB2 H 1 1.352 0.020 . 1 . . . A 13 ALA HB2 . 17720 1 145 . 1 1 13 13 ALA HB3 H 1 1.352 0.020 . 1 . . . A 13 ALA HB3 . 17720 1 146 . 1 1 13 13 ALA C C 13 178.672 0.400 . 1 . . . A 13 ALA C . 17720 1 147 . 1 1 13 13 ALA CA C 13 54.837 0.400 . 1 . . . A 13 ALA CA . 17720 1 148 . 1 1 13 13 ALA CB C 13 18.710 0.400 . 1 . . . A 13 ALA CB . 17720 1 149 . 1 1 13 13 ALA N N 15 119.960 0.400 . 1 . . . A 13 ALA N . 17720 1 150 . 1 1 14 14 GLN H H 1 7.835 0.020 . 1 . . . A 14 GLN H . 17720 1 151 . 1 1 14 14 GLN HA H 1 3.666 0.020 . 1 . . . A 14 GLN HA . 17720 1 152 . 1 1 14 14 GLN HB2 H 1 2.150 0.020 . 2 . . . A 14 GLN HB2 . 17720 1 153 . 1 1 14 14 GLN HB3 H 1 2.069 0.020 . 2 . . . A 14 GLN HB3 . 17720 1 154 . 1 1 14 14 GLN HG2 H 1 2.370 0.020 . 2 . . . A 14 GLN HG2 . 17720 1 155 . 1 1 14 14 GLN HE21 H 1 6.813 0.020 . 2 . . . A 14 GLN HE21 . 17720 1 156 . 1 1 14 14 GLN C C 13 177.053 0.400 . 1 . . . A 14 GLN C . 17720 1 157 . 1 1 14 14 GLN CA C 13 57.818 0.400 . 1 . . . A 14 GLN CA . 17720 1 158 . 1 1 14 14 GLN CB C 13 28.626 0.400 . 1 . . . A 14 GLN CB . 17720 1 159 . 1 1 14 14 GLN CG C 13 33.318 0.400 . 1 . . . A 14 GLN CG . 17720 1 160 . 1 1 14 14 GLN N N 15 115.489 0.400 . 1 . . . A 14 GLN N . 17720 1 161 . 1 1 14 14 GLN NE2 N 15 115.341 0.400 . 1 . . . A 14 GLN NE2 . 17720 1 162 . 1 1 15 15 ALA H H 1 7.771 0.020 . 1 . . . A 15 ALA H . 17720 1 163 . 1 1 15 15 ALA HA H 1 4.277 0.020 . 1 . . . A 15 ALA HA . 17720 1 164 . 1 1 15 15 ALA HB1 H 1 1.708 0.020 . 1 . . . A 15 ALA HB1 . 17720 1 165 . 1 1 15 15 ALA HB2 H 1 1.708 0.020 . 1 . . . A 15 ALA HB2 . 17720 1 166 . 1 1 15 15 ALA HB3 H 1 1.708 0.020 . 1 . . . A 15 ALA HB3 . 17720 1 167 . 1 1 15 15 ALA C C 13 180.781 0.400 . 1 . . . A 15 ALA C . 17720 1 168 . 1 1 15 15 ALA CA C 13 55.126 0.400 . 1 . . . A 15 ALA CA . 17720 1 169 . 1 1 15 15 ALA CB C 13 17.974 0.400 . 1 . . . A 15 ALA CB . 17720 1 170 . 1 1 15 15 ALA N N 15 121.377 0.400 . 1 . . . A 15 ALA N . 17720 1 171 . 1 1 16 16 PHE H H 1 8.127 0.020 . 1 . . . A 16 PHE H . 17720 1 172 . 1 1 16 16 PHE HA H 1 3.614 0.020 . 1 . . . A 16 PHE HA . 17720 1 173 . 1 1 16 16 PHE HB2 H 1 2.566 0.020 . 2 . . . A 16 PHE HB2 . 17720 1 174 . 1 1 16 16 PHE HB3 H 1 2.281 0.020 . 2 . . . A 16 PHE HB3 . 17720 1 175 . 1 1 16 16 PHE HD1 H 1 6.408 0.020 . 1 . . . A 16 PHE HD1 . 17720 1 176 . 1 1 16 16 PHE HE1 H 1 6.438 0.020 . 1 . . . A 16 PHE HE1 . 17720 1 177 . 1 1 16 16 PHE C C 13 176.787 0.400 . 1 . . . A 16 PHE C . 17720 1 178 . 1 1 16 16 PHE CA C 13 61.005 0.400 . 1 . . . A 16 PHE CA . 17720 1 179 . 1 1 16 16 PHE CB C 13 38.700 0.400 . 1 . . . A 16 PHE CB . 17720 1 180 . 1 1 16 16 PHE CD1 C 13 131.364 0.400 . 1 . . . A 16 PHE CD1 . 17720 1 181 . 1 1 16 16 PHE CE1 C 13 128.731 0.400 . 1 . . . A 16 PHE CE1 . 17720 1 182 . 1 1 16 16 PHE N N 15 120.680 0.400 . 1 . . . A 16 PHE N . 17720 1 183 . 1 1 17 17 VAL H H 1 8.170 0.020 . 1 . . . A 17 VAL H . 17720 1 184 . 1 1 17 17 VAL HA H 1 3.194 0.020 . 1 . . . A 17 VAL HA . 17720 1 185 . 1 1 17 17 VAL HB H 1 2.224 0.020 . 1 . . . A 17 VAL HB . 17720 1 186 . 1 1 17 17 VAL HG11 H 1 1.017 0.020 . 2 . . . A 17 VAL HG11 . 17720 1 187 . 1 1 17 17 VAL HG12 H 1 1.017 0.020 . 2 . . . A 17 VAL HG12 . 17720 1 188 . 1 1 17 17 VAL HG13 H 1 1.017 0.020 . 2 . . . A 17 VAL HG13 . 17720 1 189 . 1 1 17 17 VAL HG21 H 1 0.973 0.020 . 2 . . . A 17 VAL HG21 . 17720 1 190 . 1 1 17 17 VAL HG22 H 1 0.973 0.020 . 2 . . . A 17 VAL HG22 . 17720 1 191 . 1 1 17 17 VAL HG23 H 1 0.973 0.020 . 2 . . . A 17 VAL HG23 . 17720 1 192 . 1 1 17 17 VAL C C 13 179.334 0.400 . 1 . . . A 17 VAL C . 17720 1 193 . 1 1 17 17 VAL CA C 13 67.653 0.400 . 1 . . . A 17 VAL CA . 17720 1 194 . 1 1 17 17 VAL CB C 13 31.298 0.400 . 1 . . . A 17 VAL CB . 17720 1 195 . 1 1 17 17 VAL CG1 C 13 23.337 0.400 . 1 . . . A 17 VAL CG1 . 17720 1 196 . 1 1 17 17 VAL CG2 C 13 21.167 0.400 . 1 . . . A 17 VAL CG2 . 17720 1 197 . 1 1 17 17 VAL N N 15 120.806 0.400 . 1 . . . A 17 VAL N . 17720 1 198 . 1 1 18 18 ASP H H 1 9.038 0.020 . 1 . . . A 18 ASP H . 17720 1 199 . 1 1 18 18 ASP HA H 1 4.400 0.020 . 1 . . . A 18 ASP HA . 17720 1 200 . 1 1 18 18 ASP HB2 H 1 2.790 0.020 . 2 . . . A 18 ASP HB2 . 17720 1 201 . 1 1 18 18 ASP HB3 H 1 2.730 0.020 . 2 . . . A 18 ASP HB3 . 17720 1 202 . 1 1 18 18 ASP C C 13 178.888 0.400 . 1 . . . A 18 ASP C . 17720 1 203 . 1 1 18 18 ASP CA C 13 57.487 0.400 . 1 . . . A 18 ASP CA . 17720 1 204 . 1 1 18 18 ASP CB C 13 39.764 0.400 . 1 . . . A 18 ASP CB . 17720 1 205 . 1 1 18 18 ASP N N 15 122.994 0.400 . 1 . . . A 18 ASP N . 17720 1 206 . 1 1 19 19 TYR H H 1 8.148 0.020 . 1 . . . A 19 TYR H . 17720 1 207 . 1 1 19 19 TYR HA H 1 4.358 0.020 . 1 . . . A 19 TYR HA . 17720 1 208 . 1 1 19 19 TYR HB2 H 1 3.364 0.020 . 2 . . . A 19 TYR HB2 . 17720 1 209 . 1 1 19 19 TYR HB3 H 1 2.930 0.020 . 2 . . . A 19 TYR HB3 . 17720 1 210 . 1 1 19 19 TYR HD1 H 1 6.987 0.020 . 1 . . . A 19 TYR HD1 . 17720 1 211 . 1 1 19 19 TYR HE1 H 1 6.972 0.020 . 1 . . . A 19 TYR HE1 . 17720 1 212 . 1 1 19 19 TYR C C 13 179.496 0.400 . 1 . . . A 19 TYR C . 17720 1 213 . 1 1 19 19 TYR CA C 13 60.929 0.400 . 1 . . . A 19 TYR CA . 17720 1 214 . 1 1 19 19 TYR CB C 13 38.058 0.400 . 1 . . . A 19 TYR CB . 17720 1 215 . 1 1 19 19 TYR CD1 C 13 133.028 0.400 . 1 . . . A 19 TYR CD1 . 17720 1 216 . 1 1 19 19 TYR CE1 C 13 118.382 0.400 . 1 . . . A 19 TYR CE1 . 17720 1 217 . 1 1 19 19 TYR N N 15 121.989 0.400 . 1 . . . A 19 TYR N . 17720 1 218 . 1 1 20 20 MET H H 1 8.423 0.020 . 1 . . . A 20 MET H . 17720 1 219 . 1 1 20 20 MET HA H 1 3.990 0.020 . 1 . . . A 20 MET HA . 17720 1 220 . 1 1 20 20 MET HB2 H 1 1.677 0.020 . 2 . . . A 20 MET HB2 . 17720 1 221 . 1 1 20 20 MET HG2 H 1 1.778 0.020 . 2 . . . A 20 MET HG2 . 17720 1 222 . 1 1 20 20 MET HG3 H 1 1.530 0.020 . 2 . . . A 20 MET HG3 . 17720 1 223 . 1 1 20 20 MET HE1 H 1 1.759 0.020 . 1 . . . A 20 MET HE1 . 17720 1 224 . 1 1 20 20 MET HE2 H 1 1.759 0.020 . 1 . . . A 20 MET HE2 . 17720 1 225 . 1 1 20 20 MET HE3 H 1 1.759 0.020 . 1 . . . A 20 MET HE3 . 17720 1 226 . 1 1 20 20 MET CA C 13 55.967 0.400 . 1 . . . A 20 MET CA . 17720 1 227 . 1 1 20 20 MET CB C 13 28.294 0.400 . 1 . . . A 20 MET CB . 17720 1 228 . 1 1 20 20 MET CG C 13 31.888 0.400 . 1 . . . A 20 MET CG . 17720 1 229 . 1 1 20 20 MET CE C 13 15.561 0.400 . 1 . . . A 20 MET CE . 17720 1 230 . 1 1 20 20 MET N N 15 119.360 0.400 . 1 . . . A 20 MET N . 17720 1 231 . 1 1 21 21 ALA H H 1 8.082 0.020 . 1 . . . A 21 ALA H . 17720 1 232 . 1 1 21 21 ALA HA H 1 4.074 0.020 . 1 . . . A 21 ALA HA . 17720 1 233 . 1 1 21 21 ALA HB1 H 1 1.589 0.020 . 1 . . . A 21 ALA HB1 . 17720 1 234 . 1 1 21 21 ALA HB2 H 1 1.589 0.020 . 1 . . . A 21 ALA HB2 . 17720 1 235 . 1 1 21 21 ALA HB3 H 1 1.589 0.020 . 1 . . . A 21 ALA HB3 . 17720 1 236 . 1 1 21 21 ALA C C 13 182.273 0.400 . 1 . . . A 21 ALA C . 17720 1 237 . 1 1 21 21 ALA CA C 13 55.671 0.400 . 1 . . . A 21 ALA CA . 17720 1 238 . 1 1 21 21 ALA CB C 13 17.260 0.400 . 1 . . . A 21 ALA CB . 17720 1 239 . 1 1 21 21 ALA N N 15 124.050 0.400 . 1 . . . A 21 ALA N . 17720 1 240 . 1 1 22 22 THR H H 1 7.567 0.020 . 1 . . . A 22 THR H . 17720 1 241 . 1 1 22 22 THR HA H 1 4.256 0.020 . 1 . . . A 22 THR HA . 17720 1 242 . 1 1 22 22 THR HB H 1 4.332 0.020 . 1 . . . A 22 THR HB . 17720 1 243 . 1 1 22 22 THR HG21 H 1 1.462 0.020 . 1 . . . A 22 THR HG21 . 17720 1 244 . 1 1 22 22 THR HG22 H 1 1.462 0.020 . 1 . . . A 22 THR HG22 . 17720 1 245 . 1 1 22 22 THR HG23 H 1 1.462 0.020 . 1 . . . A 22 THR HG23 . 17720 1 246 . 1 1 22 22 THR C C 13 175.178 0.400 . 1 . . . A 22 THR C . 17720 1 247 . 1 1 22 22 THR CA C 13 64.592 0.400 . 1 . . . A 22 THR CA . 17720 1 248 . 1 1 22 22 THR CB C 13 69.350 0.400 . 1 . . . A 22 THR CB . 17720 1 249 . 1 1 22 22 THR CG2 C 13 21.498 0.400 . 1 . . . A 22 THR CG2 . 17720 1 250 . 1 1 22 22 THR N N 15 111.420 0.400 . 1 . . . A 22 THR N . 17720 1 251 . 1 1 23 23 GLN H H 1 7.201 0.020 . 1 . . . A 23 GLN H . 17720 1 252 . 1 1 23 23 GLN HA H 1 4.330 0.020 . 1 . . . A 23 GLN HA . 17720 1 253 . 1 1 23 23 GLN HB2 H 1 2.298 0.020 . 2 . . . A 23 GLN HB2 . 17720 1 254 . 1 1 23 23 GLN HB3 H 1 1.816 0.020 . 2 . . . A 23 GLN HB3 . 17720 1 255 . 1 1 23 23 GLN HE21 H 1 6.474 0.020 . 2 . . . A 23 GLN HE21 . 17720 1 256 . 1 1 23 23 GLN HE22 H 1 6.805 0.020 . 2 . . . A 23 GLN HE22 . 17720 1 257 . 1 1 23 23 GLN C C 13 175.746 0.400 . 1 . . . A 23 GLN C . 17720 1 258 . 1 1 23 23 GLN CA C 13 53.796 0.400 . 1 . . . A 23 GLN CA . 17720 1 259 . 1 1 23 23 GLN CB C 13 28.869 0.400 . 1 . . . A 23 GLN CB . 17720 1 260 . 1 1 23 23 GLN N N 15 117.955 0.400 . 1 . . . A 23 GLN N . 17720 1 261 . 1 1 23 23 GLN NE2 N 15 113.016 0.400 . 1 . . . A 23 GLN NE2 . 17720 1 262 . 1 1 24 24 GLY H H 1 7.622 0.020 . 1 . . . A 24 GLY H . 17720 1 263 . 1 1 24 24 GLY HA2 H 1 4.142 0.020 . 2 . . . A 24 GLY HA2 . 17720 1 264 . 1 1 24 24 GLY HA3 H 1 3.683 0.020 . 2 . . . A 24 GLY HA3 . 17720 1 265 . 1 1 24 24 GLY C C 13 173.701 0.400 . 1 . . . A 24 GLY C . 17720 1 266 . 1 1 24 24 GLY CA C 13 45.505 0.400 . 1 . . . A 24 GLY CA . 17720 1 267 . 1 1 24 24 GLY N N 15 106.305 0.400 . 1 . . . A 24 GLY N . 17720 1 268 . 1 1 25 25 VAL H H 1 7.640 0.020 . 1 . . . A 25 VAL H . 17720 1 269 . 1 1 25 25 VAL HA H 1 4.265 0.020 . 1 . . . A 25 VAL HA . 17720 1 270 . 1 1 25 25 VAL HB H 1 1.571 0.020 . 1 . . . A 25 VAL HB . 17720 1 271 . 1 1 25 25 VAL HG11 H 1 0.642 0.020 . 2 . . . A 25 VAL HG11 . 17720 1 272 . 1 1 25 25 VAL HG12 H 1 0.642 0.020 . 2 . . . A 25 VAL HG12 . 17720 1 273 . 1 1 25 25 VAL HG13 H 1 0.642 0.020 . 2 . . . A 25 VAL HG13 . 17720 1 274 . 1 1 25 25 VAL C C 13 174.252 0.400 . 1 . . . A 25 VAL C . 17720 1 275 . 1 1 25 25 VAL CA C 13 60.998 0.400 . 1 . . . A 25 VAL CA . 17720 1 276 . 1 1 25 25 VAL CB C 13 33.685 0.400 . 1 . . . A 25 VAL CB . 17720 1 277 . 1 1 25 25 VAL CG1 C 13 20.388 0.400 . 1 . . . A 25 VAL CG1 . 17720 1 278 . 1 1 25 25 VAL N N 15 120.768 0.400 . 1 . . . A 25 VAL N . 17720 1 279 . 1 1 26 26 ILE H H 1 8.974 0.020 . 1 . . . A 26 ILE H . 17720 1 280 . 1 1 26 26 ILE HA H 1 3.904 0.020 . 1 . . . A 26 ILE HA . 17720 1 281 . 1 1 26 26 ILE HB H 1 1.919 0.020 . 1 . . . A 26 ILE HB . 17720 1 282 . 1 1 26 26 ILE HG12 H 1 1.471 0.020 . 2 . . . A 26 ILE HG12 . 17720 1 283 . 1 1 26 26 ILE HG13 H 1 1.316 0.020 . 2 . . . A 26 ILE HG13 . 17720 1 284 . 1 1 26 26 ILE HG21 H 1 0.829 0.020 . 1 . . . A 26 ILE HG21 . 17720 1 285 . 1 1 26 26 ILE HG22 H 1 0.829 0.020 . 1 . . . A 26 ILE HG22 . 17720 1 286 . 1 1 26 26 ILE HG23 H 1 0.829 0.020 . 1 . . . A 26 ILE HG23 . 17720 1 287 . 1 1 26 26 ILE HD11 H 1 0.750 0.020 . 1 . . . A 26 ILE HD11 . 17720 1 288 . 1 1 26 26 ILE HD12 H 1 0.750 0.020 . 1 . . . A 26 ILE HD12 . 17720 1 289 . 1 1 26 26 ILE HD13 H 1 0.750 0.020 . 1 . . . A 26 ILE HD13 . 17720 1 290 . 1 1 26 26 ILE C C 13 175.153 0.400 . 1 . . . A 26 ILE C . 17720 1 291 . 1 1 26 26 ILE CA C 13 60.280 0.400 . 1 . . . A 26 ILE CA . 17720 1 292 . 1 1 26 26 ILE CB C 13 36.904 0.400 . 1 . . . A 26 ILE CB . 17720 1 293 . 1 1 26 26 ILE CG1 C 13 26.805 0.400 . 1 . . . A 26 ILE CG1 . 17720 1 294 . 1 1 26 26 ILE CG2 C 13 17.192 0.400 . 1 . . . A 26 ILE CG2 . 17720 1 295 . 1 1 26 26 ILE CD1 C 13 10.683 0.400 . 1 . . . A 26 ILE CD1 . 17720 1 296 . 1 1 26 26 ILE N N 15 128.592 0.400 . 1 . . . A 26 ILE N . 17720 1 297 . 1 1 27 27 LEU H H 1 8.332 0.020 . 1 . . . A 27 LEU H . 17720 1 298 . 1 1 27 27 LEU HA H 1 5.206 0.020 . 1 . . . A 27 LEU HA . 17720 1 299 . 1 1 27 27 LEU HB2 H 1 1.762 0.020 . 2 . . . A 27 LEU HB2 . 17720 1 300 . 1 1 27 27 LEU HB3 H 1 1.533 0.020 . 2 . . . A 27 LEU HB3 . 17720 1 301 . 1 1 27 27 LEU HG H 1 1.522 0.020 . 1 . . . A 27 LEU HG . 17720 1 302 . 1 1 27 27 LEU HD11 H 1 0.663 0.020 . 2 . . . A 27 LEU HD11 . 17720 1 303 . 1 1 27 27 LEU HD12 H 1 0.663 0.020 . 2 . . . A 27 LEU HD12 . 17720 1 304 . 1 1 27 27 LEU HD13 H 1 0.663 0.020 . 2 . . . A 27 LEU HD13 . 17720 1 305 . 1 1 27 27 LEU HD21 H 1 0.915 0.020 . 2 . . . A 27 LEU HD21 . 17720 1 306 . 1 1 27 27 LEU HD22 H 1 0.915 0.020 . 2 . . . A 27 LEU HD22 . 17720 1 307 . 1 1 27 27 LEU HD23 H 1 0.915 0.020 . 2 . . . A 27 LEU HD23 . 17720 1 308 . 1 1 27 27 LEU C C 13 174.913 0.400 . 1 . . . A 27 LEU C . 17720 1 309 . 1 1 27 27 LEU CA C 13 52.902 0.400 . 1 . . . A 27 LEU CA . 17720 1 310 . 1 1 27 27 LEU CB C 13 44.815 0.400 . 1 . . . A 27 LEU CB . 17720 1 311 . 1 1 27 27 LEU CG C 13 27.216 0.400 . 1 . . . A 27 LEU CG . 17720 1 312 . 1 1 27 27 LEU CD1 C 13 28.294 0.400 . 1 . . . A 27 LEU CD1 . 17720 1 313 . 1 1 27 27 LEU CD2 C 13 25.930 0.400 . 1 . . . A 27 LEU CD2 . 17720 1 314 . 1 1 27 27 LEU N N 15 130.238 0.400 . 1 . . . A 27 LEU N . 17720 1 315 . 1 1 28 28 THR H H 1 8.944 0.020 . 1 . . . A 28 THR H . 17720 1 316 . 1 1 28 28 THR HA H 1 4.762 0.020 . 1 . . . A 28 THR HA . 17720 1 317 . 1 1 28 28 THR HB H 1 4.080 0.020 . 1 . . . A 28 THR HB . 17720 1 318 . 1 1 28 28 THR HG21 H 1 1.130 0.020 . 1 . . . A 28 THR HG21 . 17720 1 319 . 1 1 28 28 THR HG22 H 1 1.130 0.020 . 1 . . . A 28 THR HG22 . 17720 1 320 . 1 1 28 28 THR HG23 H 1 1.130 0.020 . 1 . . . A 28 THR HG23 . 17720 1 321 . 1 1 28 28 THR C C 13 173.252 0.400 . 1 . . . A 28 THR C . 17720 1 322 . 1 1 28 28 THR CA C 13 60.248 0.400 . 1 . . . A 28 THR CA . 17720 1 323 . 1 1 28 28 THR CB C 13 71.933 0.400 . 1 . . . A 28 THR CB . 17720 1 324 . 1 1 28 28 THR CG2 C 13 21.714 0.400 . 1 . . . A 28 THR CG2 . 17720 1 325 . 1 1 28 28 THR N N 15 111.337 0.400 . 1 . . . A 28 THR N . 17720 1 326 . 1 1 29 29 ILE H H 1 8.679 0.020 . 1 . . . A 29 ILE H . 17720 1 327 . 1 1 29 29 ILE HA H 1 5.133 0.020 . 1 . . . A 29 ILE HA . 17720 1 328 . 1 1 29 29 ILE HB H 1 1.715 0.020 . 1 . . . A 29 ILE HB . 17720 1 329 . 1 1 29 29 ILE HG12 H 1 1.665 0.020 . 2 . . . A 29 ILE HG12 . 17720 1 330 . 1 1 29 29 ILE HG21 H 1 0.870 0.020 . 1 . . . A 29 ILE HG21 . 17720 1 331 . 1 1 29 29 ILE HG22 H 1 0.870 0.020 . 1 . . . A 29 ILE HG22 . 17720 1 332 . 1 1 29 29 ILE HG23 H 1 0.870 0.020 . 1 . . . A 29 ILE HG23 . 17720 1 333 . 1 1 29 29 ILE HD11 H 1 0.788 0.020 . 1 . . . A 29 ILE HD11 . 17720 1 334 . 1 1 29 29 ILE HD12 H 1 0.788 0.020 . 1 . . . A 29 ILE HD12 . 17720 1 335 . 1 1 29 29 ILE HD13 H 1 0.788 0.020 . 1 . . . A 29 ILE HD13 . 17720 1 336 . 1 1 29 29 ILE C C 13 176.984 0.400 . 1 . . . A 29 ILE C . 17720 1 337 . 1 1 29 29 ILE CA C 13 60.065 0.400 . 1 . . . A 29 ILE CA . 17720 1 338 . 1 1 29 29 ILE CB C 13 40.617 0.400 . 1 . . . A 29 ILE CB . 17720 1 339 . 1 1 29 29 ILE CG1 C 13 29.013 0.400 . 1 . . . A 29 ILE CG1 . 17720 1 340 . 1 1 29 29 ILE CG2 C 13 17.755 0.400 . 1 . . . A 29 ILE CG2 . 17720 1 341 . 1 1 29 29 ILE CD1 C 13 13.375 0.400 . 1 . . . A 29 ILE CD1 . 17720 1 342 . 1 1 29 29 ILE N N 15 121.898 0.400 . 1 . . . A 29 ILE N . 17720 1 343 . 1 1 30 30 GLN H H 1 9.594 0.020 . 1 . . . A 30 GLN H . 17720 1 344 . 1 1 30 30 GLN HA H 1 4.595 0.020 . 1 . . . A 30 GLN HA . 17720 1 345 . 1 1 30 30 GLN HB2 H 1 2.159 0.020 . 2 . . . A 30 GLN HB2 . 17720 1 346 . 1 1 30 30 GLN HB3 H 1 2.039 0.020 . 2 . . . A 30 GLN HB3 . 17720 1 347 . 1 1 30 30 GLN HG2 H 1 2.302 0.020 . 2 . . . A 30 GLN HG2 . 17720 1 348 . 1 1 30 30 GLN HE22 H 1 6.717 0.020 . 2 . . . A 30 GLN HE22 . 17720 1 349 . 1 1 30 30 GLN C C 13 174.447 0.400 . 1 . . . A 30 GLN C . 17720 1 350 . 1 1 30 30 GLN CA C 13 54.733 0.400 . 1 . . . A 30 GLN CA . 17720 1 351 . 1 1 30 30 GLN CB C 13 30.456 0.400 . 1 . . . A 30 GLN CB . 17720 1 352 . 1 1 30 30 GLN CG C 13 34.361 0.400 . 1 . . . A 30 GLN CG . 17720 1 353 . 1 1 30 30 GLN N N 15 127.851 0.400 . 1 . . . A 30 GLN N . 17720 1 354 . 1 1 30 30 GLN NE2 N 15 109.941 0.400 . 1 . . . A 30 GLN NE2 . 17720 1 355 . 1 1 31 31 GLN H H 1 8.867 0.020 . 1 . . . A 31 GLN H . 17720 1 356 . 1 1 31 31 GLN HA H 1 4.557 0.020 . 1 . . . A 31 GLN HA . 17720 1 357 . 1 1 31 31 GLN HB2 H 1 1.930 0.020 . 2 . . . A 31 GLN HB2 . 17720 1 358 . 1 1 31 31 GLN HB3 H 1 2.070 0.020 . 2 . . . A 31 GLN HB3 . 17720 1 359 . 1 1 31 31 GLN HG2 H 1 2.240 0.020 . 2 . . . A 31 GLN HG2 . 17720 1 360 . 1 1 31 31 GLN HG3 H 1 2.360 0.020 . 2 . . . A 31 GLN HG3 . 17720 1 361 . 1 1 31 31 GLN HE21 H 1 6.871 0.020 . 2 . . . A 31 GLN HE21 . 17720 1 362 . 1 1 31 31 GLN HE22 H 1 7.373 0.020 . 2 . . . A 31 GLN HE22 . 17720 1 363 . 1 1 31 31 GLN CA C 13 55.577 0.400 . 1 . . . A 31 GLN CA . 17720 1 364 . 1 1 31 31 GLN CB C 13 29.100 0.400 . 1 . . . A 31 GLN CB . 17720 1 365 . 1 1 31 31 GLN CG C 13 33.326 0.400 . 1 . . . A 31 GLN CG . 17720 1 366 . 1 1 31 31 GLN N N 15 125.070 0.400 . 1 . . . A 31 GLN N . 17720 1 367 . 1 1 31 31 GLN NE2 N 15 113.238 0.400 . 1 . . . A 31 GLN NE2 . 17720 1 368 . 1 1 32 32 HIS H H 1 8.496 0.020 . 1 . . . A 32 HIS H . 17720 1 369 . 1 1 32 32 HIS HA H 1 4.900 0.020 . 1 . . . A 32 HIS HA . 17720 1 370 . 1 1 32 32 HIS HB2 H 1 3.300 0.020 . 2 . . . A 32 HIS HB2 . 17720 1 371 . 1 1 32 32 HIS HB3 H 1 3.420 0.020 . 2 . . . A 32 HIS HB3 . 17720 1 372 . 1 1 32 32 HIS CA C 13 55.639 0.400 . 1 . . . A 32 HIS CA . 17720 1 373 . 1 1 32 32 HIS CB C 13 29.063 0.400 . 1 . . . A 32 HIS CB . 17720 1 374 . 1 1 32 32 HIS N N 15 127.295 0.400 . 1 . . . A 32 HIS N . 17720 1 375 . 1 1 33 33 ASN HA H 1 4.624 0.020 . 1 . . . A 33 ASN HA . 17720 1 376 . 1 1 33 33 ASN HB2 H 1 2.922 0.020 . 2 . . . A 33 ASN HB2 . 17720 1 377 . 1 1 33 33 ASN HD21 H 1 7.032 0.020 . 2 . . . A 33 ASN HD21 . 17720 1 378 . 1 1 33 33 ASN HD22 H 1 7.730 0.020 . 2 . . . A 33 ASN HD22 . 17720 1 379 . 1 1 33 33 ASN C C 13 175.245 0.400 . 1 . . . A 33 ASN C . 17720 1 380 . 1 1 33 33 ASN CA C 13 55.967 0.400 . 1 . . . A 33 ASN CA . 17720 1 381 . 1 1 33 33 ASN CB C 13 38.033 0.400 . 1 . . . A 33 ASN CB . 17720 1 382 . 1 1 33 33 ASN ND2 N 15 113.254 0.400 . 1 . . . A 33 ASN ND2 . 17720 1 383 . 1 1 34 34 GLN H H 1 8.054 0.020 . 1 . . . A 34 GLN H . 17720 1 384 . 1 1 34 34 GLN HA H 1 4.610 0.020 . 1 . . . A 34 GLN HA . 17720 1 385 . 1 1 34 34 GLN C C 13 174.100 0.400 . 1 . . . A 34 GLN C . 17720 1 386 . 1 1 34 34 GLN N N 15 116.327 0.400 . 1 . . . A 34 GLN N . 17720 1 387 . 1 1 35 35 SER H H 1 8.528 0.020 . 1 . . . A 35 SER H . 17720 1 388 . 1 1 35 35 SER HA H 1 4.575 0.020 . 1 . . . A 35 SER HA . 17720 1 389 . 1 1 35 35 SER HB2 H 1 3.967 0.020 . 2 . . . A 35 SER HB2 . 17720 1 390 . 1 1 35 35 SER HB3 H 1 3.620 0.020 . 2 . . . A 35 SER HB3 . 17720 1 391 . 1 1 35 35 SER C C 13 172.501 0.400 . 1 . . . A 35 SER C . 17720 1 392 . 1 1 35 35 SER CA C 13 58.165 0.400 . 1 . . . A 35 SER CA . 17720 1 393 . 1 1 35 35 SER CB C 13 63.619 0.400 . 1 . . . A 35 SER CB . 17720 1 394 . 1 1 35 35 SER N N 15 116.485 0.400 . 1 . . . A 35 SER N . 17720 1 395 . 1 1 36 36 ASP H H 1 8.448 0.020 . 1 . . . A 36 ASP H . 17720 1 396 . 1 1 36 36 ASP HA H 1 4.986 0.020 . 1 . . . A 36 ASP HA . 17720 1 397 . 1 1 36 36 ASP HB2 H 1 3.237 0.020 . 2 . . . A 36 ASP HB2 . 17720 1 398 . 1 1 36 36 ASP HB3 H 1 2.691 0.020 . 2 . . . A 36 ASP HB3 . 17720 1 399 . 1 1 36 36 ASP C C 13 175.201 0.400 . 1 . . . A 36 ASP C . 17720 1 400 . 1 1 36 36 ASP CA C 13 54.140 0.400 . 1 . . . A 36 ASP CA . 17720 1 401 . 1 1 36 36 ASP CB C 13 41.894 0.400 . 1 . . . A 36 ASP CB . 17720 1 402 . 1 1 36 36 ASP N N 15 128.187 0.400 . 1 . . . A 36 ASP N . 17720 1 403 . 1 1 37 37 VAL H H 1 8.704 0.020 . 1 . . . A 37 VAL H . 17720 1 404 . 1 1 37 37 VAL HA H 1 4.983 0.020 . 1 . . . A 37 VAL HA . 17720 1 405 . 1 1 37 37 VAL HB H 1 1.937 0.020 . 1 . . . A 37 VAL HB . 17720 1 406 . 1 1 37 37 VAL HG11 H 1 1.112 0.020 . 2 . . . A 37 VAL HG11 . 17720 1 407 . 1 1 37 37 VAL HG12 H 1 1.112 0.020 . 2 . . . A 37 VAL HG12 . 17720 1 408 . 1 1 37 37 VAL HG13 H 1 1.112 0.020 . 2 . . . A 37 VAL HG13 . 17720 1 409 . 1 1 37 37 VAL HG21 H 1 1.051 0.020 . 2 . . . A 37 VAL HG21 . 17720 1 410 . 1 1 37 37 VAL HG22 H 1 1.051 0.020 . 2 . . . A 37 VAL HG22 . 17720 1 411 . 1 1 37 37 VAL HG23 H 1 1.051 0.020 . 2 . . . A 37 VAL HG23 . 17720 1 412 . 1 1 37 37 VAL C C 13 174.286 0.400 . 1 . . . A 37 VAL C . 17720 1 413 . 1 1 37 37 VAL CA C 13 61.828 0.400 . 1 . . . A 37 VAL CA . 17720 1 414 . 1 1 37 37 VAL CB C 13 33.326 0.400 . 1 . . . A 37 VAL CB . 17720 1 415 . 1 1 37 37 VAL CG1 C 13 21.812 0.400 . 1 . . . A 37 VAL CG1 . 17720 1 416 . 1 1 37 37 VAL CG2 C 13 23.777 0.400 . 1 . . . A 37 VAL CG2 . 17720 1 417 . 1 1 37 37 VAL N N 15 122.994 0.400 . 1 . . . A 37 VAL N . 17720 1 418 . 1 1 38 38 TRP H H 1 9.605 0.020 . 1 . . . A 38 TRP H . 17720 1 419 . 1 1 38 38 TRP HA H 1 5.101 0.020 . 1 . . . A 38 TRP HA . 17720 1 420 . 1 1 38 38 TRP HB2 H 1 3.033 0.020 . 2 . . . A 38 TRP HB2 . 17720 1 421 . 1 1 38 38 TRP HD1 H 1 7.052 0.020 . 1 . . . A 38 TRP HD1 . 17720 1 422 . 1 1 38 38 TRP HE1 H 1 10.542 0.020 . 1 . . . A 38 TRP HE1 . 17720 1 423 . 1 1 38 38 TRP HE3 H 1 7.130 0.020 . 1 . . . A 38 TRP HE3 . 17720 1 424 . 1 1 38 38 TRP HZ2 H 1 7.527 0.020 . 1 . . . A 38 TRP HZ2 . 17720 1 425 . 1 1 38 38 TRP HZ3 H 1 6.931 0.020 . 1 . . . A 38 TRP HZ3 . 17720 1 426 . 1 1 38 38 TRP HH2 H 1 7.198 0.020 . 1 . . . A 38 TRP HH2 . 17720 1 427 . 1 1 38 38 TRP C C 13 174.129 0.400 . 1 . . . A 38 TRP C . 17720 1 428 . 1 1 38 38 TRP CA C 13 56.706 0.400 . 1 . . . A 38 TRP CA . 17720 1 429 . 1 1 38 38 TRP CB C 13 32.277 0.400 . 1 . . . A 38 TRP CB . 17720 1 430 . 1 1 38 38 TRP CD1 C 13 125.745 0.400 . 1 . . . A 38 TRP CD1 . 17720 1 431 . 1 1 38 38 TRP CE3 C 13 119.915 0.400 . 1 . . . A 38 TRP CE3 . 17720 1 432 . 1 1 38 38 TRP CZ2 C 13 115.085 0.400 . 1 . . . A 38 TRP CZ2 . 17720 1 433 . 1 1 38 38 TRP CZ3 C 13 121.870 0.400 . 1 . . . A 38 TRP CZ3 . 17720 1 434 . 1 1 38 38 TRP CH2 C 13 124.503 0.400 . 1 . . . A 38 TRP CH2 . 17720 1 435 . 1 1 38 38 TRP N N 15 128.762 0.400 . 1 . . . A 38 TRP N . 17720 1 436 . 1 1 38 38 TRP NE1 N 15 130.576 0.400 . 1 . . . A 38 TRP NE1 . 17720 1 437 . 1 1 39 39 LEU H H 1 9.358 0.020 . 1 . . . A 39 LEU H . 17720 1 438 . 1 1 39 39 LEU HA H 1 4.860 0.020 . 1 . . . A 39 LEU HA . 17720 1 439 . 1 1 39 39 LEU HB2 H 1 1.908 0.020 . 2 . . . A 39 LEU HB2 . 17720 1 440 . 1 1 39 39 LEU HB3 H 1 1.163 0.020 . 2 . . . A 39 LEU HB3 . 17720 1 441 . 1 1 39 39 LEU HD11 H 1 0.955 0.020 . 2 . . . A 39 LEU HD11 . 17720 1 442 . 1 1 39 39 LEU HD12 H 1 0.955 0.020 . 2 . . . A 39 LEU HD12 . 17720 1 443 . 1 1 39 39 LEU HD13 H 1 0.955 0.020 . 2 . . . A 39 LEU HD13 . 17720 1 444 . 1 1 39 39 LEU HD21 H 1 0.770 0.020 . 2 . . . A 39 LEU HD21 . 17720 1 445 . 1 1 39 39 LEU HD22 H 1 0.770 0.020 . 2 . . . A 39 LEU HD22 . 17720 1 446 . 1 1 39 39 LEU HD23 H 1 0.770 0.020 . 2 . . . A 39 LEU HD23 . 17720 1 447 . 1 1 39 39 LEU C C 13 175.304 0.400 . 1 . . . A 39 LEU C . 17720 1 448 . 1 1 39 39 LEU CA C 13 53.092 0.400 . 1 . . . A 39 LEU CA . 17720 1 449 . 1 1 39 39 LEU CB C 13 46.973 0.400 . 1 . . . A 39 LEU CB . 17720 1 450 . 1 1 39 39 LEU CD1 C 13 23.088 0.400 . 1 . . . A 39 LEU CD1 . 17720 1 451 . 1 1 39 39 LEU CD2 C 13 27.249 0.400 . 1 . . . A 39 LEU CD2 . 17720 1 452 . 1 1 39 39 LEU N N 15 122.428 0.400 . 1 . . . A 39 LEU N . 17720 1 453 . 1 1 40 40 ALA H H 1 8.799 0.020 . 1 . . . A 40 ALA H . 17720 1 454 . 1 1 40 40 ALA HA H 1 4.582 0.020 . 1 . . . A 40 ALA HA . 17720 1 455 . 1 1 40 40 ALA HB1 H 1 1.529 0.020 . 1 . . . A 40 ALA HB1 . 17720 1 456 . 1 1 40 40 ALA HB2 H 1 1.529 0.020 . 1 . . . A 40 ALA HB2 . 17720 1 457 . 1 1 40 40 ALA HB3 H 1 1.529 0.020 . 1 . . . A 40 ALA HB3 . 17720 1 458 . 1 1 40 40 ALA C C 13 178.001 0.400 . 1 . . . A 40 ALA C . 17720 1 459 . 1 1 40 40 ALA CA C 13 54.500 0.400 . 1 . . . A 40 ALA CA . 17720 1 460 . 1 1 40 40 ALA CB C 13 19.043 0.400 . 1 . . . A 40 ALA CB . 17720 1 461 . 1 1 40 40 ALA N N 15 129.718 0.400 . 1 . . . A 40 ALA N . 17720 1 462 . 1 1 41 41 ASP H H 1 7.776 0.020 . 1 . . . A 41 ASP H . 17720 1 463 . 1 1 41 41 ASP HA H 1 4.834 0.020 . 1 . . . A 41 ASP HA . 17720 1 464 . 1 1 41 41 ASP HB2 H 1 3.017 0.020 . 2 . . . A 41 ASP HB2 . 17720 1 465 . 1 1 41 41 ASP HB3 H 1 2.553 0.020 . 2 . . . A 41 ASP HB3 . 17720 1 466 . 1 1 41 41 ASP C C 13 176.012 0.400 . 1 . . . A 41 ASP C . 17720 1 467 . 1 1 41 41 ASP CA C 13 52.060 0.400 . 1 . . . A 41 ASP CA . 17720 1 468 . 1 1 41 41 ASP CB C 13 38.712 0.400 . 1 . . . A 41 ASP CB . 17720 1 469 . 1 1 41 41 ASP N N 15 115.578 0.400 . 1 . . . A 41 ASP N . 17720 1 470 . 1 1 42 42 GLU H H 1 8.499 0.020 . 1 . . . A 42 GLU H . 17720 1 471 . 1 1 42 42 GLU HA H 1 3.631 0.020 . 1 . . . A 42 GLU HA . 17720 1 472 . 1 1 42 42 GLU HB2 H 1 2.218 0.020 . 2 . . . A 42 GLU HB2 . 17720 1 473 . 1 1 42 42 GLU HB3 H 1 2.000 0.020 . 2 . . . A 42 GLU HB3 . 17720 1 474 . 1 1 42 42 GLU HG2 H 1 2.552 0.020 . 2 . . . A 42 GLU HG2 . 17720 1 475 . 1 1 42 42 GLU HG3 H 1 2.099 0.020 . 2 . . . A 42 GLU HG3 . 17720 1 476 . 1 1 42 42 GLU C C 13 178.190 0.400 . 1 . . . A 42 GLU C . 17720 1 477 . 1 1 42 42 GLU CA C 13 59.692 0.400 . 1 . . . A 42 GLU CA . 17720 1 478 . 1 1 42 42 GLU CB C 13 28.658 0.400 . 1 . . . A 42 GLU CB . 17720 1 479 . 1 1 42 42 GLU CG C 13 37.335 0.400 . 1 . . . A 42 GLU CG . 17720 1 480 . 1 1 42 42 GLU N N 15 123.070 0.400 . 1 . . . A 42 GLU N . 17720 1 481 . 1 1 43 43 SER H H 1 8.318 0.020 . 1 . . . A 43 SER H . 17720 1 482 . 1 1 43 43 SER HA H 1 4.354 0.020 . 1 . . . A 43 SER HA . 17720 1 483 . 1 1 43 43 SER HB2 H 1 4.032 0.020 . 2 . . . A 43 SER HB2 . 17720 1 484 . 1 1 43 43 SER C C 13 176.272 0.400 . 1 . . . A 43 SER C . 17720 1 485 . 1 1 43 43 SER CB C 13 62.536 0.400 . 1 . . . A 43 SER CB . 17720 1 486 . 1 1 43 43 SER N N 15 116.371 0.400 . 1 . . . A 43 SER N . 17720 1 487 . 1 1 44 44 GLN H H 1 7.732 0.020 . 1 . . . A 44 GLN H . 17720 1 488 . 1 1 44 44 GLN HA H 1 4.705 0.020 . 1 . . . A 44 GLN HA . 17720 1 489 . 1 1 44 44 GLN HB2 H 1 2.448 0.020 . 2 . . . A 44 GLN HB2 . 17720 1 490 . 1 1 44 44 GLN HB3 H 1 1.980 0.020 . 2 . . . A 44 GLN HB3 . 17720 1 491 . 1 1 44 44 GLN HG2 H 1 2.261 0.020 . 2 . . . A 44 GLN HG2 . 17720 1 492 . 1 1 44 44 GLN HE21 H 1 6.624 0.020 . 2 . . . A 44 GLN HE21 . 17720 1 493 . 1 1 44 44 GLN HE22 H 1 7.346 0.020 . 2 . . . A 44 GLN HE22 . 17720 1 494 . 1 1 44 44 GLN C C 13 175.899 0.400 . 1 . . . A 44 GLN C . 17720 1 495 . 1 1 44 44 GLN CA C 13 54.529 0.400 . 1 . . . A 44 GLN CA . 17720 1 496 . 1 1 44 44 GLN CB C 13 28.231 0.400 . 1 . . . A 44 GLN CB . 17720 1 497 . 1 1 44 44 GLN CG C 13 32.954 0.400 . 1 . . . A 44 GLN CG . 17720 1 498 . 1 1 44 44 GLN N N 15 118.929 0.400 . 1 . . . A 44 GLN N . 17720 1 499 . 1 1 44 44 GLN NE2 N 15 112.060 0.400 . 1 . . . A 44 GLN NE2 . 17720 1 500 . 1 1 45 45 ALA H H 1 7.553 0.020 . 1 . . . A 45 ALA H . 17720 1 501 . 1 1 45 45 ALA HA H 1 3.561 0.020 . 1 . . . A 45 ALA HA . 17720 1 502 . 1 1 45 45 ALA HB1 H 1 1.410 0.020 . 1 . . . A 45 ALA HB1 . 17720 1 503 . 1 1 45 45 ALA HB2 H 1 1.410 0.020 . 1 . . . A 45 ALA HB2 . 17720 1 504 . 1 1 45 45 ALA HB3 H 1 1.410 0.020 . 1 . . . A 45 ALA HB3 . 17720 1 505 . 1 1 45 45 ALA C C 13 178.409 0.400 . 1 . . . A 45 ALA C . 17720 1 506 . 1 1 45 45 ALA CA C 13 56.980 0.400 . 1 . . . A 45 ALA CA . 17720 1 507 . 1 1 45 45 ALA CB C 13 18.744 0.400 . 1 . . . A 45 ALA CB . 17720 1 508 . 1 1 45 45 ALA N N 15 122.775 0.400 . 1 . . . A 45 ALA N . 17720 1 509 . 1 1 46 46 GLU H H 1 8.677 0.020 . 1 . . . A 46 GLU H . 17720 1 510 . 1 1 46 46 GLU HA H 1 4.019 0.020 . 1 . . . A 46 GLU HA . 17720 1 511 . 1 1 46 46 GLU HB2 H 1 2.062 0.020 . 2 . . . A 46 GLU HB2 . 17720 1 512 . 1 1 46 46 GLU HG2 H 1 2.364 0.020 . 2 . . . A 46 GLU HG2 . 17720 1 513 . 1 1 46 46 GLU HG3 H 1 2.301 0.020 . 2 . . . A 46 GLU HG3 . 17720 1 514 . 1 1 46 46 GLU C C 13 179.407 0.400 . 1 . . . A 46 GLU C . 17720 1 515 . 1 1 46 46 GLU CA C 13 59.920 0.400 . 1 . . . A 46 GLU CA . 17720 1 516 . 1 1 46 46 GLU CB C 13 28.707 0.400 . 1 . . . A 46 GLU CB . 17720 1 517 . 1 1 46 46 GLU CG C 13 36.543 0.400 . 1 . . . A 46 GLU CG . 17720 1 518 . 1 1 46 46 GLU N N 15 116.778 0.400 . 1 . . . A 46 GLU N . 17720 1 519 . 1 1 47 47 ARG H H 1 8.029 0.020 . 1 . . . A 47 ARG H . 17720 1 520 . 1 1 47 47 ARG HA H 1 4.225 0.020 . 1 . . . A 47 ARG HA . 17720 1 521 . 1 1 47 47 ARG HB2 H 1 2.014 0.020 . 2 . . . A 47 ARG HB2 . 17720 1 522 . 1 1 47 47 ARG HG2 H 1 1.782 0.020 . 2 . . . A 47 ARG HG2 . 17720 1 523 . 1 1 47 47 ARG HG3 H 1 1.669 0.020 . 2 . . . A 47 ARG HG3 . 17720 1 524 . 1 1 47 47 ARG HD2 H 1 3.279 0.020 . 2 . . . A 47 ARG HD2 . 17720 1 525 . 1 1 47 47 ARG HD3 H 1 3.214 0.020 . 2 . . . A 47 ARG HD3 . 17720 1 526 . 1 1 47 47 ARG C C 13 178.751 0.400 . 1 . . . A 47 ARG C . 17720 1 527 . 1 1 47 47 ARG CA C 13 58.762 0.400 . 1 . . . A 47 ARG CA . 17720 1 528 . 1 1 47 47 ARG CB C 13 29.928 0.400 . 1 . . . A 47 ARG CB . 17720 1 529 . 1 1 47 47 ARG CG C 13 27.292 0.400 . 1 . . . A 47 ARG CG . 17720 1 530 . 1 1 47 47 ARG CD C 13 43.748 0.400 . 1 . . . A 47 ARG CD . 17720 1 531 . 1 1 47 47 ARG N N 15 122.111 0.400 . 1 . . . A 47 ARG N . 17720 1 532 . 1 1 48 48 VAL H H 1 8.441 0.020 . 1 . . . A 48 VAL H . 17720 1 533 . 1 1 48 48 VAL HA H 1 3.650 0.020 . 1 . . . A 48 VAL HA . 17720 1 534 . 1 1 48 48 VAL HB H 1 2.207 0.020 . 1 . . . A 48 VAL HB . 17720 1 535 . 1 1 48 48 VAL HG11 H 1 1.164 0.020 . 2 . . . A 48 VAL HG11 . 17720 1 536 . 1 1 48 48 VAL HG12 H 1 1.164 0.020 . 2 . . . A 48 VAL HG12 . 17720 1 537 . 1 1 48 48 VAL HG13 H 1 1.164 0.020 . 2 . . . A 48 VAL HG13 . 17720 1 538 . 1 1 48 48 VAL HG21 H 1 1.605 0.020 . 2 . . . A 48 VAL HG21 . 17720 1 539 . 1 1 48 48 VAL HG22 H 1 1.605 0.020 . 2 . . . A 48 VAL HG22 . 17720 1 540 . 1 1 48 48 VAL HG23 H 1 1.605 0.020 . 2 . . . A 48 VAL HG23 . 17720 1 541 . 1 1 48 48 VAL C C 13 177.724 0.400 . 1 . . . A 48 VAL C . 17720 1 542 . 1 1 48 48 VAL CA C 13 66.961 0.400 . 1 . . . A 48 VAL CA . 17720 1 543 . 1 1 48 48 VAL CB C 13 31.240 0.400 . 1 . . . A 48 VAL CB . 17720 1 544 . 1 1 48 48 VAL CG1 C 13 23.775 0.400 . 1 . . . A 48 VAL CG1 . 17720 1 545 . 1 1 48 48 VAL CG2 C 13 25.595 0.400 . 1 . . . A 48 VAL CG2 . 17720 1 546 . 1 1 48 48 VAL N N 15 118.388 0.400 . 1 . . . A 48 VAL N . 17720 1 547 . 1 1 49 49 ARG H H 1 8.591 0.020 . 1 . . . A 49 ARG H . 17720 1 548 . 1 1 49 49 ARG HA H 1 3.898 0.020 . 1 . . . A 49 ARG HA . 17720 1 549 . 1 1 49 49 ARG HB2 H 1 1.905 0.020 . 2 . . . A 49 ARG HB2 . 17720 1 550 . 1 1 49 49 ARG HG2 H 1 1.575 0.020 . 2 . . . A 49 ARG HG2 . 17720 1 551 . 1 1 49 49 ARG HD2 H 1 3.211 0.020 . 2 . . . A 49 ARG HD2 . 17720 1 552 . 1 1 49 49 ARG HD3 H 1 3.135 0.020 . 2 . . . A 49 ARG HD3 . 17720 1 553 . 1 1 49 49 ARG C C 13 179.343 0.400 . 1 . . . A 49 ARG C . 17720 1 554 . 1 1 49 49 ARG CA C 13 60.742 0.400 . 1 . . . A 49 ARG CA . 17720 1 555 . 1 1 49 49 ARG CB C 13 29.654 0.400 . 1 . . . A 49 ARG CB . 17720 1 556 . 1 1 49 49 ARG CG C 13 29.493 0.400 . 1 . . . A 49 ARG CG . 17720 1 557 . 1 1 49 49 ARG CD C 13 43.333 0.400 . 1 . . . A 49 ARG CD . 17720 1 558 . 1 1 49 49 ARG N N 15 119.175 0.400 . 1 . . . A 49 ARG N . 17720 1 559 . 1 1 50 50 ALA H H 1 8.078 0.020 . 1 . . . A 50 ALA H . 17720 1 560 . 1 1 50 50 ALA HA H 1 4.293 0.020 . 1 . . . A 50 ALA HA . 17720 1 561 . 1 1 50 50 ALA HB1 H 1 1.609 0.020 . 1 . . . A 50 ALA HB1 . 17720 1 562 . 1 1 50 50 ALA HB2 H 1 1.609 0.020 . 1 . . . A 50 ALA HB2 . 17720 1 563 . 1 1 50 50 ALA HB3 H 1 1.609 0.020 . 1 . . . A 50 ALA HB3 . 17720 1 564 . 1 1 50 50 ALA C C 13 181.153 0.400 . 1 . . . A 50 ALA C . 17720 1 565 . 1 1 50 50 ALA CA C 13 55.099 0.400 . 1 . . . A 50 ALA CA . 17720 1 566 . 1 1 50 50 ALA CB C 13 17.872 0.400 . 1 . . . A 50 ALA CB . 17720 1 567 . 1 1 50 50 ALA N N 15 123.984 0.400 . 1 . . . A 50 ALA N . 17720 1 568 . 1 1 51 51 GLU H H 1 8.353 0.020 . 1 . . . A 51 GLU H . 17720 1 569 . 1 1 51 51 GLU HA H 1 4.414 0.020 . 1 . . . A 51 GLU HA . 17720 1 570 . 1 1 51 51 GLU HB2 H 1 2.654 0.020 . 2 . . . A 51 GLU HB2 . 17720 1 571 . 1 1 51 51 GLU HB3 H 1 2.425 0.020 . 2 . . . A 51 GLU HB3 . 17720 1 572 . 1 1 51 51 GLU HG2 H 1 2.719 0.020 . 2 . . . A 51 GLU HG2 . 17720 1 573 . 1 1 51 51 GLU C C 13 179.569 0.400 . 1 . . . A 51 GLU C . 17720 1 574 . 1 1 51 51 GLU CA C 13 58.483 0.400 . 1 . . . A 51 GLU CA . 17720 1 575 . 1 1 51 51 GLU CB C 13 30.091 0.400 . 1 . . . A 51 GLU CB . 17720 1 576 . 1 1 51 51 GLU CG C 13 36.201 0.400 . 1 . . . A 51 GLU CG . 17720 1 577 . 1 1 51 51 GLU N N 15 118.646 0.400 . 1 . . . A 51 GLU N . 17720 1 578 . 1 1 52 52 LEU H H 1 8.970 0.020 . 1 . . . A 52 LEU H . 17720 1 579 . 1 1 52 52 LEU HA H 1 3.947 0.020 . 1 . . . A 52 LEU HA . 17720 1 580 . 1 1 52 52 LEU HB2 H 1 1.990 0.020 . 2 . . . A 52 LEU HB2 . 17720 1 581 . 1 1 52 52 LEU HB3 H 1 1.363 0.020 . 2 . . . A 52 LEU HB3 . 17720 1 582 . 1 1 52 52 LEU HG H 1 1.447 0.020 . 1 . . . A 52 LEU HG . 17720 1 583 . 1 1 52 52 LEU HD11 H 1 0.220 0.020 . 2 . . . A 52 LEU HD11 . 17720 1 584 . 1 1 52 52 LEU HD12 H 1 0.220 0.020 . 2 . . . A 52 LEU HD12 . 17720 1 585 . 1 1 52 52 LEU HD13 H 1 0.220 0.020 . 2 . . . A 52 LEU HD13 . 17720 1 586 . 1 1 52 52 LEU HD21 H 1 0.595 0.020 . 2 . . . A 52 LEU HD21 . 17720 1 587 . 1 1 52 52 LEU HD22 H 1 0.595 0.020 . 2 . . . A 52 LEU HD22 . 17720 1 588 . 1 1 52 52 LEU HD23 H 1 0.595 0.020 . 2 . . . A 52 LEU HD23 . 17720 1 589 . 1 1 52 52 LEU C C 13 177.428 0.400 . 1 . . . A 52 LEU C . 17720 1 590 . 1 1 52 52 LEU CA C 13 57.764 0.400 . 1 . . . A 52 LEU CA . 17720 1 591 . 1 1 52 52 LEU CB C 13 41.271 0.400 . 1 . . . A 52 LEU CB . 17720 1 592 . 1 1 52 52 LEU CG C 13 26.497 0.400 . 1 . . . A 52 LEU CG . 17720 1 593 . 1 1 52 52 LEU CD1 C 13 22.227 0.400 . 1 . . . A 52 LEU CD1 . 17720 1 594 . 1 1 52 52 LEU CD2 C 13 26.008 0.400 . 1 . . . A 52 LEU CD2 . 17720 1 595 . 1 1 52 52 LEU N N 15 122.533 0.400 . 1 . . . A 52 LEU N . 17720 1 596 . 1 1 53 53 ALA H H 1 7.413 0.020 . 1 . . . A 53 ALA H . 17720 1 597 . 1 1 53 53 ALA HA H 1 4.026 0.020 . 1 . . . A 53 ALA HA . 17720 1 598 . 1 1 53 53 ALA HB1 H 1 1.500 0.020 . 1 . . . A 53 ALA HB1 . 17720 1 599 . 1 1 53 53 ALA HB2 H 1 1.500 0.020 . 1 . . . A 53 ALA HB2 . 17720 1 600 . 1 1 53 53 ALA HB3 H 1 1.500 0.020 . 1 . . . A 53 ALA HB3 . 17720 1 601 . 1 1 53 53 ALA C C 13 180.339 0.400 . 1 . . . A 53 ALA C . 17720 1 602 . 1 1 53 53 ALA CA C 13 55.248 0.400 . 1 . . . A 53 ALA CA . 17720 1 603 . 1 1 53 53 ALA CB C 13 17.614 0.400 . 1 . . . A 53 ALA CB . 17720 1 604 . 1 1 53 53 ALA N N 15 118.985 0.400 . 1 . . . A 53 ALA N . 17720 1 605 . 1 1 54 54 ARG H H 1 7.309 0.020 . 1 . . . A 54 ARG H . 17720 1 606 . 1 1 54 54 ARG HA H 1 4.112 0.020 . 1 . . . A 54 ARG HA . 17720 1 607 . 1 1 54 54 ARG HB2 H 1 2.000 0.020 . 2 . . . A 54 ARG HB2 . 17720 1 608 . 1 1 54 54 ARG HG2 H 1 1.835 0.020 . 2 . . . A 54 ARG HG2 . 17720 1 609 . 1 1 54 54 ARG HD2 H 1 3.285 0.020 . 2 . . . A 54 ARG HD2 . 17720 1 610 . 1 1 54 54 ARG C C 13 178.372 0.400 . 1 . . . A 54 ARG C . 17720 1 611 . 1 1 54 54 ARG CA C 13 58.738 0.400 . 1 . . . A 54 ARG CA . 17720 1 612 . 1 1 54 54 ARG CB C 13 30.360 0.400 . 1 . . . A 54 ARG CB . 17720 1 613 . 1 1 54 54 ARG CG C 13 27.216 0.400 . 1 . . . A 54 ARG CG . 17720 1 614 . 1 1 54 54 ARG CD C 13 43.343 0.400 . 1 . . . A 54 ARG CD . 17720 1 615 . 1 1 54 54 ARG N N 15 116.413 0.400 . 1 . . . A 54 ARG N . 17720 1 616 . 1 1 55 55 PHE H H 1 8.713 0.020 . 1 . . . A 55 PHE H . 17720 1 617 . 1 1 55 55 PHE HA H 1 4.025 0.020 . 1 . . . A 55 PHE HA . 17720 1 618 . 1 1 55 55 PHE HB2 H 1 3.245 0.020 . 2 . . . A 55 PHE HB2 . 17720 1 619 . 1 1 55 55 PHE HD1 H 1 6.958 0.020 . 1 . . . A 55 PHE HD1 . 17720 1 620 . 1 1 55 55 PHE HE1 H 1 6.932 0.020 . 1 . . . A 55 PHE HE1 . 17720 1 621 . 1 1 55 55 PHE C C 13 176.856 0.400 . 1 . . . A 55 PHE C . 17720 1 622 . 1 1 55 55 PHE CA C 13 60.693 0.400 . 1 . . . A 55 PHE CA . 17720 1 623 . 1 1 55 55 PHE CB C 13 40.104 0.400 . 1 . . . A 55 PHE CB . 17720 1 624 . 1 1 55 55 PHE CD1 C 13 132.177 0.400 . 1 . . . A 55 PHE CD1 . 17720 1 625 . 1 1 55 55 PHE CE1 C 13 130.144 0.400 . 1 . . . A 55 PHE CE1 . 17720 1 626 . 1 1 55 55 PHE N N 15 122.191 0.400 . 1 . . . A 55 PHE N . 17720 1 627 . 1 1 56 56 LEU H H 1 8.137 0.020 . 1 . . . A 56 LEU H . 17720 1 628 . 1 1 56 56 LEU HA H 1 4.031 0.020 . 1 . . . A 56 LEU HA . 17720 1 629 . 1 1 56 56 LEU HB2 H 1 1.800 0.020 . 2 . . . A 56 LEU HB2 . 17720 1 630 . 1 1 56 56 LEU HB3 H 1 1.524 0.020 . 2 . . . A 56 LEU HB3 . 17720 1 631 . 1 1 56 56 LEU HG H 1 1.940 0.020 . 1 . . . A 56 LEU HG . 17720 1 632 . 1 1 56 56 LEU HD11 H 1 1.449 0.020 . 2 . . . A 56 LEU HD11 . 17720 1 633 . 1 1 56 56 LEU HD12 H 1 1.449 0.020 . 2 . . . A 56 LEU HD12 . 17720 1 634 . 1 1 56 56 LEU HD13 H 1 1.449 0.020 . 2 . . . A 56 LEU HD13 . 17720 1 635 . 1 1 56 56 LEU HD21 H 1 0.820 0.020 . 2 . . . A 56 LEU HD21 . 17720 1 636 . 1 1 56 56 LEU HD22 H 1 0.820 0.020 . 2 . . . A 56 LEU HD22 . 17720 1 637 . 1 1 56 56 LEU HD23 H 1 0.820 0.020 . 2 . . . A 56 LEU HD23 . 17720 1 638 . 1 1 56 56 LEU C C 13 178.190 0.400 . 1 . . . A 56 LEU C . 17720 1 639 . 1 1 56 56 LEU CA C 13 55.690 0.400 . 1 . . . A 56 LEU CA . 17720 1 640 . 1 1 56 56 LEU CB C 13 42.047 0.400 . 1 . . . A 56 LEU CB . 17720 1 641 . 1 1 56 56 LEU CG C 13 26.497 0.400 . 1 . . . A 56 LEU CG . 17720 1 642 . 1 1 56 56 LEU CD1 C 13 22.240 0.400 . 1 . . . A 56 LEU CD1 . 17720 1 643 . 1 1 56 56 LEU CD2 C 13 25.434 0.400 . 1 . . . A 56 LEU CD2 . 17720 1 644 . 1 1 56 56 LEU N N 15 116.126 0.400 . 1 . . . A 56 LEU N . 17720 1 645 . 1 1 57 57 GLU H H 1 7.483 0.020 . 1 . . . A 57 GLU H . 17720 1 646 . 1 1 57 57 GLU HA H 1 4.085 0.020 . 1 . . . A 57 GLU HA . 17720 1 647 . 1 1 57 57 GLU HB2 H 1 2.053 0.020 . 2 . . . A 57 GLU HB2 . 17720 1 648 . 1 1 57 57 GLU HG2 H 1 2.430 0.020 . 2 . . . A 57 GLU HG2 . 17720 1 649 . 1 1 57 57 GLU HG3 H 1 2.267 0.020 . 2 . . . A 57 GLU HG3 . 17720 1 650 . 1 1 57 57 GLU C C 13 176.386 0.400 . 1 . . . A 57 GLU C . 17720 1 651 . 1 1 57 57 GLU CA C 13 57.706 0.400 . 1 . . . A 57 GLU CA . 17720 1 652 . 1 1 57 57 GLU CB C 13 30.134 0.400 . 1 . . . A 57 GLU CB . 17720 1 653 . 1 1 57 57 GLU CG C 13 36.340 0.400 . 1 . . . A 57 GLU CG . 17720 1 654 . 1 1 57 57 GLU N N 15 118.519 0.400 . 1 . . . A 57 GLU N . 17720 1 655 . 1 1 58 58 ASN H H 1 7.759 0.020 . 1 . . . A 58 ASN H . 17720 1 656 . 1 1 58 58 ASN HA H 1 4.924 0.020 . 1 . . . A 58 ASN HA . 17720 1 657 . 1 1 58 58 ASN HB2 H 1 2.827 0.020 . 2 . . . A 58 ASN HB2 . 17720 1 658 . 1 1 58 58 ASN HB3 H 1 2.668 0.020 . 2 . . . A 58 ASN HB3 . 17720 1 659 . 1 1 58 58 ASN HD21 H 1 6.910 0.020 . 2 . . . A 58 ASN HD21 . 17720 1 660 . 1 1 58 58 ASN HD22 H 1 7.587 0.020 . 2 . . . A 58 ASN HD22 . 17720 1 661 . 1 1 58 58 ASN CA C 13 51.196 0.400 . 1 . . . A 58 ASN CA . 17720 1 662 . 1 1 58 58 ASN CB C 13 38.856 0.400 . 1 . . . A 58 ASN CB . 17720 1 663 . 1 1 58 58 ASN N N 15 116.387 0.400 . 1 . . . A 58 ASN N . 17720 1 664 . 1 1 58 58 ASN ND2 N 15 112.997 0.400 . 1 . . . A 58 ASN ND2 . 17720 1 665 . 1 1 59 59 PRO HA H 1 4.127 0.020 . 1 . . . A 59 PRO HA . 17720 1 666 . 1 1 59 59 PRO HB2 H 1 1.837 0.020 . 2 . . . A 59 PRO HB2 . 17720 1 667 . 1 1 59 59 PRO HB3 H 1 2.036 0.020 . 2 . . . A 59 PRO HB3 . 17720 1 668 . 1 1 59 59 PRO HG2 H 1 1.891 0.020 . 2 . . . A 59 PRO HG2 . 17720 1 669 . 1 1 59 59 PRO HD2 H 1 3.640 0.020 . 2 . . . A 59 PRO HD2 . 17720 1 670 . 1 1 59 59 PRO C C 13 177.173 0.400 . 1 . . . A 59 PRO C . 17720 1 671 . 1 1 59 59 PRO CA C 13 63.866 0.400 . 1 . . . A 59 PRO CA . 17720 1 672 . 1 1 59 59 PRO CB C 13 31.817 0.400 . 1 . . . A 59 PRO CB . 17720 1 673 . 1 1 59 59 PRO CG C 13 26.994 0.400 . 1 . . . A 59 PRO CG . 17720 1 674 . 1 1 59 59 PRO CD C 13 50.420 0.400 . 1 . . . A 59 PRO CD . 17720 1 675 . 1 1 60 60 ALA H H 1 7.974 0.020 . 1 . . . A 60 ALA H . 17720 1 676 . 1 1 60 60 ALA HA H 1 4.212 0.020 . 1 . . . A 60 ALA HA . 17720 1 677 . 1 1 60 60 ALA HB1 H 1 1.339 0.020 . 1 . . . A 60 ALA HB1 . 17720 1 678 . 1 1 60 60 ALA HB2 H 1 1.339 0.020 . 1 . . . A 60 ALA HB2 . 17720 1 679 . 1 1 60 60 ALA HB3 H 1 1.339 0.020 . 1 . . . A 60 ALA HB3 . 17720 1 680 . 1 1 60 60 ALA C C 13 177.887 0.400 . 1 . . . A 60 ALA C . 17720 1 681 . 1 1 60 60 ALA CA C 13 52.837 0.400 . 1 . . . A 60 ALA CA . 17720 1 682 . 1 1 60 60 ALA CB C 13 18.932 0.400 . 1 . . . A 60 ALA CB . 17720 1 683 . 1 1 60 60 ALA N N 15 122.154 0.400 . 1 . . . A 60 ALA N . 17720 1 684 . 1 1 61 61 ASP H H 1 7.926 0.020 . 1 . . . A 61 ASP H . 17720 1 685 . 1 1 61 61 ASP HA H 1 4.580 0.020 . 1 . . . A 61 ASP HA . 17720 1 686 . 1 1 61 61 ASP HB2 H 1 2.700 0.020 . 2 . . . A 61 ASP HB2 . 17720 1 687 . 1 1 61 61 ASP HB3 H 1 2.600 0.020 . 2 . . . A 61 ASP HB3 . 17720 1 688 . 1 1 61 61 ASP C C 13 176.453 0.400 . 1 . . . A 61 ASP C . 17720 1 689 . 1 1 61 61 ASP CA C 13 54.529 0.400 . 1 . . . A 61 ASP CA . 17720 1 690 . 1 1 61 61 ASP CB C 13 40.916 0.400 . 1 . . . A 61 ASP CB . 17720 1 691 . 1 1 61 61 ASP N N 15 118.300 0.400 . 1 . . . A 61 ASP N . 17720 1 692 . 1 1 62 62 LEU H H 1 7.911 0.020 . 1 . . . A 62 LEU H . 17720 1 693 . 1 1 62 62 LEU HA H 1 4.179 0.020 . 1 . . . A 62 LEU HA . 17720 1 694 . 1 1 62 62 LEU HB2 H 1 1.575 0.020 . 2 . . . A 62 LEU HB2 . 17720 1 695 . 1 1 62 62 LEU HG H 1 1.570 0.020 . 1 . . . A 62 LEU HG . 17720 1 696 . 1 1 62 62 LEU HD11 H 1 0.744 0.020 . 2 . . . A 62 LEU HD11 . 17720 1 697 . 1 1 62 62 LEU HD12 H 1 0.744 0.020 . 2 . . . A 62 LEU HD12 . 17720 1 698 . 1 1 62 62 LEU HD13 H 1 0.744 0.020 . 2 . . . A 62 LEU HD13 . 17720 1 699 . 1 1 62 62 LEU HD21 H 1 0.810 0.020 . 2 . . . A 62 LEU HD21 . 17720 1 700 . 1 1 62 62 LEU HD22 H 1 0.810 0.020 . 2 . . . A 62 LEU HD22 . 17720 1 701 . 1 1 62 62 LEU HD23 H 1 0.810 0.020 . 2 . . . A 62 LEU HD23 . 17720 1 702 . 1 1 62 62 LEU C C 13 177.735 0.400 . 1 . . . A 62 LEU C . 17720 1 703 . 1 1 62 62 LEU CA C 13 55.607 0.400 . 1 . . . A 62 LEU CA . 17720 1 704 . 1 1 62 62 LEU CB C 13 42.044 0.400 . 1 . . . A 62 LEU CB . 17720 1 705 . 1 1 62 62 LEU CG C 13 27.069 0.400 . 1 . . . A 62 LEU CG . 17720 1 706 . 1 1 62 62 LEU CD1 C 13 23.334 0.400 . 1 . . . A 62 LEU CD1 . 17720 1 707 . 1 1 62 62 LEU CD2 C 13 25.419 0.400 . 1 . . . A 62 LEU CD2 . 17720 1 708 . 1 1 62 62 LEU N N 15 121.504 0.400 . 1 . . . A 62 LEU N . 17720 1 709 . 1 1 63 63 ASP H H 1 8.100 0.020 . 1 . . . A 63 ASP H . 17720 1 710 . 1 1 63 63 ASP HA H 1 4.166 0.020 . 1 . . . A 63 ASP HA . 17720 1 711 . 1 1 63 63 ASP HB2 H 1 1.877 0.020 . 2 . . . A 63 ASP HB2 . 17720 1 712 . 1 1 63 63 ASP C C 13 173.886 0.400 . 1 . . . A 63 ASP C . 17720 1 713 . 1 1 63 63 ASP N N 15 119.213 0.400 . 1 . . . A 63 ASP N . 17720 1 stop_ save_