################################### # 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 16386 _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 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 16386 1 2 '2D 1H-13C HSQC' . . . 16386 1 5 '3D HNCO' . . . 16386 1 7 '3D HN(CA)CO' . . . 16386 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 6 $SPARKY . . 16386 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 SER C C 13 175.817 0.3 . 1 . . . . 1 Ser C . 16386 1 2 . 1 1 2 2 ASP H H 1 8.270 0.025 . 1 . . . . 2 Asp H . 16386 1 3 . 1 1 2 2 ASP HA H 1 4.706 0.025 . 1 . . . . 2 Asp HA . 16386 1 4 . 1 1 2 2 ASP HB2 H 1 2.727 0.025 . 2 . . . . 2 Asp HB2 . 16386 1 5 . 1 1 2 2 ASP HB3 H 1 2.616 0.025 . 2 . . . . 2 Asp HB3 . 16386 1 6 . 1 1 2 2 ASP C C 13 176.240 0.3 . 1 . . . . 2 Asp C . 16386 1 7 . 1 1 2 2 ASP CA C 13 54.448 0.3 . 1 . . . . 2 Asp CA . 16386 1 8 . 1 1 2 2 ASP CB C 13 41.396 0.3 . 1 . . . . 2 Asp CB . 16386 1 9 . 1 1 2 2 ASP N N 15 116.604 0.3 . 1 . . . . 2 Asp N . 16386 1 10 . 1 1 3 3 VAL H H 1 8.197 0.025 . 1 . . . . 3 Val H . 16386 1 11 . 1 1 3 3 VAL HA H 1 4.090 0.025 . 1 . . . . 3 Val HA . 16386 1 12 . 1 1 3 3 VAL HB H 1 2.075 0.025 . 1 . . . . 3 Val HB . 16386 1 13 . 1 1 3 3 VAL HG11 H 1 0.924 0.025 . 2 . . . . 3 Val HG1 . 16386 1 14 . 1 1 3 3 VAL HG12 H 1 0.924 0.025 . 2 . . . . 3 Val HG1 . 16386 1 15 . 1 1 3 3 VAL HG13 H 1 0.924 0.025 . 2 . . . . 3 Val HG1 . 16386 1 16 . 1 1 3 3 VAL HG21 H 1 0.924 0.025 . 2 . . . . 3 Val HG2 . 16386 1 17 . 1 1 3 3 VAL HG22 H 1 0.924 0.025 . 2 . . . . 3 Val HG2 . 16386 1 18 . 1 1 3 3 VAL HG23 H 1 0.924 0.025 . 2 . . . . 3 Val HG2 . 16386 1 19 . 1 1 3 3 VAL C C 13 175.880 0.3 . 1 . . . . 3 Val C . 16386 1 20 . 1 1 3 3 VAL CA C 13 62.509 0.3 . 1 . . . . 3 Val CA . 16386 1 21 . 1 1 3 3 VAL CB C 13 32.701 0.3 . 1 . . . . 3 Val CB . 16386 1 22 . 1 1 3 3 VAL CG1 C 13 21.073 0.3 . 2 . . . . 3 Val CG1 . 16386 1 23 . 1 1 3 3 VAL CG2 C 13 20.582 0.3 . 2 . . . . 3 Val CG2 . 16386 1 24 . 1 1 3 3 VAL N N 15 119.871 0.3 . 1 . . . . 3 Val N . 16386 1 25 . 1 1 4 4 ASN H H 1 8.502 0.025 . 1 . . . . 4 Asn H . 16386 1 26 . 1 1 4 4 ASN HA H 1 4.700 0.025 . 1 . . . . 4 Asn HA . 16386 1 27 . 1 1 4 4 ASN HB2 H 1 2.790 0.025 . 2 . . . . 4 Asn HB2 . 16386 1 28 . 1 1 4 4 ASN HB3 H 1 2.702 0.025 . 2 . . . . 4 Asn HB3 . 16386 1 29 . 1 1 4 4 ASN HD21 H 1 7.608 0.025 . 2 . . . . 4 Asn HD21 . 16386 1 30 . 1 1 4 4 ASN HD22 H 1 6.879 0.025 . 2 . . . . 4 Asn HD22 . 16386 1 31 . 1 1 4 4 ASN C C 13 175.378 0.3 . 1 . . . . 4 Asn C . 16386 1 32 . 1 1 4 4 ASN CA C 13 53.427 0.3 . 1 . . . . 4 Asn CA . 16386 1 33 . 1 1 4 4 ASN CB C 13 39.212 0.3 . 1 . . . . 4 Asn CB . 16386 1 34 . 1 1 4 4 ASN N N 15 121.932 0.3 . 1 . . . . 4 Asn N . 16386 1 35 . 1 1 4 4 ASN ND2 N 15 112.684 0.3 . 1 . . . . 4 Asn ND2 . 16386 1 36 . 1 1 5 5 GLU H H 1 8.453 0.025 . 1 . . . . 5 Glu H . 16386 1 37 . 1 1 5 5 GLU HA H 1 4.281 0.025 . 1 . . . . 5 Glu HA . 16386 1 38 . 1 1 5 5 GLU HB2 H 1 1.951 0.025 . 2 . . . . 5 Glu HB2 . 16386 1 39 . 1 1 5 5 GLU HB3 H 1 2.069 0.025 . 2 . . . . 5 Glu HB3 . 16386 1 40 . 1 1 5 5 GLU HG2 H 1 2.272 0.025 . 2 . . . . 5 Glu HG2 . 16386 1 41 . 1 1 5 5 GLU HG3 H 1 2.224 0.025 . 2 . . . . 5 Glu HG3 . 16386 1 42 . 1 1 5 5 GLU C C 13 176.502 0.3 . 1 . . . . 5 Glu C . 16386 1 43 . 1 1 5 5 GLU CA C 13 56.925 0.3 . 1 . . . . 5 Glu CA . 16386 1 44 . 1 1 5 5 GLU CB C 13 30.226 0.3 . 1 . . . . 5 Glu CB . 16386 1 45 . 1 1 5 5 GLU CG C 13 36.367 0.3 . 1 . . . . 5 Glu CG . 16386 1 46 . 1 1 5 5 GLU N N 15 122.108 0.3 . 1 . . . . 5 Glu N . 16386 1 47 . 1 1 6 6 CYS H H 1 8.519 0.025 . 1 . . . . 6 Cys H . 16386 1 48 . 1 1 6 6 CYS HA H 1 4.605 0.025 . 1 . . . . 6 Cys HA . 16386 1 49 . 1 1 6 6 CYS HB2 H 1 3.198 0.025 . 2 . . . . 6 Cys HB2 . 16386 1 50 . 1 1 6 6 CYS HB3 H 1 3.059 0.025 . 2 . . . . 6 Cys HB3 . 16386 1 51 . 1 1 6 6 CYS C C 13 174.876 0.3 . 1 . . . . 6 Cys C . 16386 1 52 . 1 1 6 6 CYS CA C 13 56.068 0.3 . 1 . . . . 6 Cys CA . 16386 1 53 . 1 1 6 6 CYS CB C 13 40.544 0.3 . 1 . . . . 6 Cys CB . 16386 1 54 . 1 1 6 6 CYS N N 15 119.657 0.3 . 1 . . . . 6 Cys N . 16386 1 55 . 1 1 7 7 LEU H H 1 8.372 0.025 . 1 . . . . 7 Leu H . 16386 1 56 . 1 1 7 7 LEU HA H 1 4.361 0.025 . 1 . . . . 7 Leu HA . 16386 1 57 . 1 1 7 7 LEU HB2 H 1 1.583 0.025 . 2 . . . . 7 Leu HB2 . 16386 1 58 . 1 1 7 7 LEU HB3 H 1 1.705 0.025 . 2 . . . . 7 Leu HB3 . 16386 1 59 . 1 1 7 7 LEU HD11 H 1 0.858 0.025 . 2 . . . . 7 Leu HD1 . 16386 1 60 . 1 1 7 7 LEU HD12 H 1 0.858 0.025 . 2 . . . . 7 Leu HD1 . 16386 1 61 . 1 1 7 7 LEU HD13 H 1 0.858 0.025 . 2 . . . . 7 Leu HD1 . 16386 1 62 . 1 1 7 7 LEU HD21 H 1 0.926 0.025 . 2 . . . . 7 Leu HD2 . 16386 1 63 . 1 1 7 7 LEU HD22 H 1 0.926 0.025 . 2 . . . . 7 Leu HD2 . 16386 1 64 . 1 1 7 7 LEU HD23 H 1 0.926 0.025 . 2 . . . . 7 Leu HD2 . 16386 1 65 . 1 1 7 7 LEU HG H 1 1.637 0.025 . 1 . . . . 7 Leu HG . 16386 1 66 . 1 1 7 7 LEU C C 13 177.534 0.3 . 1 . . . . 7 Leu C . 16386 1 67 . 1 1 7 7 LEU CA C 13 55.778 0.3 . 1 . . . . 7 Leu CA . 16386 1 68 . 1 1 7 7 LEU CB C 13 42.554 0.3 . 1 . . . . 7 Leu CB . 16386 1 69 . 1 1 7 7 LEU CD1 C 13 23.355 0.3 . 2 . . . . 7 Leu CD1 . 16386 1 70 . 1 1 7 7 LEU CD2 C 13 25.047 0.3 . 2 . . . . 7 Leu CD2 . 16386 1 71 . 1 1 7 7 LEU CG C 13 26.978 0.3 . 1 . . . . 7 Leu CG . 16386 1 72 . 1 1 7 7 LEU N N 15 123.198 0.3 . 1 . . . . 7 Leu N . 16386 1 73 . 1 1 8 8 THR H H 1 8.018 0.025 . 1 . . . . 8 Thr H . 16386 1 74 . 1 1 8 8 THR HA H 1 4.332 0.025 . 1 . . . . 8 Thr HA . 16386 1 75 . 1 1 8 8 THR HB H 1 4.221 0.025 . 1 . . . . 8 Thr HB . 16386 1 76 . 1 1 8 8 THR HG21 H 1 1.156 0.025 . 1 . . . . 8 Thr HG2 . 16386 1 77 . 1 1 8 8 THR HG22 H 1 1.156 0.025 . 1 . . . . 8 Thr HG2 . 16386 1 78 . 1 1 8 8 THR HG23 H 1 1.156 0.025 . 1 . . . . 8 Thr HG2 . 16386 1 79 . 1 1 8 8 THR C C 13 174.296 0.3 . 1 . . . . 8 Thr C . 16386 1 80 . 1 1 8 8 THR CA C 13 61.745 0.3 . 1 . . . . 8 Thr CA . 16386 1 81 . 1 1 8 8 THR CB C 13 69.529 0.3 . 1 . . . . 8 Thr CB . 16386 1 82 . 1 1 8 8 THR CG2 C 13 21.755 0.3 . 1 . . . . 8 Thr CG2 . 16386 1 83 . 1 1 8 8 THR N N 15 113.232 0.3 . 1 . . . . 8 Thr N . 16386 1 84 . 1 1 9 9 ILE H H 1 7.827 0.025 . 1 . . . . 9 Ile H . 16386 1 85 . 1 1 9 9 ILE HA H 1 4.472 0.025 . 1 . . . . 9 Ile HA . 16386 1 86 . 1 1 9 9 ILE HB H 1 1.884 0.025 . 1 . . . . 9 Ile HB . 16386 1 87 . 1 1 9 9 ILE HD11 H 1 0.829 0.025 . 1 . . . . 9 Ile HD1 . 16386 1 88 . 1 1 9 9 ILE HD12 H 1 0.829 0.025 . 1 . . . . 9 Ile HD1 . 16386 1 89 . 1 1 9 9 ILE HD13 H 1 0.829 0.025 . 1 . . . . 9 Ile HD1 . 16386 1 90 . 1 1 9 9 ILE HG12 H 1 1.458 0.025 . 2 . . . . 9 Ile HG12 . 16386 1 91 . 1 1 9 9 ILE HG13 H 1 1.125 0.025 . 2 . . . . 9 Ile HG13 . 16386 1 92 . 1 1 9 9 ILE HG21 H 1 0.896 0.025 . 1 . . . . 9 Ile HG2 . 16386 1 93 . 1 1 9 9 ILE HG22 H 1 0.896 0.025 . 1 . . . . 9 Ile HG2 . 16386 1 94 . 1 1 9 9 ILE HG23 H 1 0.896 0.025 . 1 . . . . 9 Ile HG2 . 16386 1 95 . 1 1 9 9 ILE C C 13 174.443 0.3 . 1 . . . . 9 Ile C . 16386 1 96 . 1 1 9 9 ILE CA C 13 58.355 0.3 . 1 . . . . 9 Ile CA . 16386 1 97 . 1 1 9 9 ILE CB C 13 38.496 0.3 . 1 . . . . 9 Ile CB . 16386 1 98 . 1 1 9 9 ILE CD1 C 13 12.885 0.3 . 1 . . . . 9 Ile CD1 . 16386 1 99 . 1 1 9 9 ILE CG1 C 13 26.796 0.3 . 1 . . . . 9 Ile CG1 . 16386 1 100 . 1 1 9 9 ILE CG2 C 13 17.422 0.3 . 1 . . . . 9 Ile CG2 . 16386 1 101 . 1 1 9 9 ILE N N 15 123.285 0.3 . 1 . . . . 9 Ile N . 16386 1 102 . 1 1 10 10 PRO HA H 1 4.351 0.025 . 1 . . . . 10 Pro HA . 16386 1 103 . 1 1 10 10 PRO HB2 H 1 2.298 0.025 . 2 . . . . 10 Pro HB2 . 16386 1 104 . 1 1 10 10 PRO HB3 H 1 1.874 0.025 . 2 . . . . 10 Pro HB3 . 16386 1 105 . 1 1 10 10 PRO HD2 H 1 3.868 0.025 . 2 . . . . 10 Pro HD2 . 16386 1 106 . 1 1 10 10 PRO HD3 H 1 3.639 0.025 . 2 . . . . 10 Pro HD3 . 16386 1 107 . 1 1 10 10 PRO HG2 H 1 2.047 0.025 . 2 . . . . 10 Pro HG2 . 16386 1 108 . 1 1 10 10 PRO HG3 H 1 2.047 0.025 . 2 . . . . 10 Pro HG3 . 16386 1 109 . 1 1 10 10 PRO C C 13 177.207 0.3 . 1 . . . . 10 Pro C . 16386 1 110 . 1 1 10 10 PRO CA C 13 63.599 0.3 . 1 . . . . 10 Pro CA . 16386 1 111 . 1 1 10 10 PRO CB C 13 31.965 0.3 . 1 . . . . 10 Pro CB . 16386 1 112 . 1 1 10 10 PRO CD C 13 50.945 0.3 . 1 . . . . 10 Pro CD . 16386 1 113 . 1 1 10 10 PRO CG C 13 27.547 0.3 . 1 . . . . 10 Pro CG . 16386 1 114 . 1 1 11 11 GLU H H 1 8.555 0.025 . 1 . . . . 11 Glu H . 16386 1 115 . 1 1 11 11 GLU HA H 1 4.053 0.025 . 1 . . . . 11 Glu HA . 16386 1 116 . 1 1 11 11 GLU HB2 H 1 1.886 0.025 . 2 . . . . 11 Glu HB2 . 16386 1 117 . 1 1 11 11 GLU HB3 H 1 1.884 0.025 . 2 . . . . 11 Glu HB3 . 16386 1 118 . 1 1 11 11 GLU HG2 H 1 2.228 0.025 . 2 . . . . 11 Glu HG2 . 16386 1 119 . 1 1 11 11 GLU HG3 H 1 2.197 0.025 . 2 . . . . 11 Glu HG3 . 16386 1 120 . 1 1 11 11 GLU C C 13 176.353 0.3 . 1 . . . . 11 Glu C . 16386 1 121 . 1 1 11 11 GLU CA C 13 56.955 0.3 . 1 . . . . 11 Glu CA . 16386 1 122 . 1 1 11 11 GLU CB C 13 29.589 0.3 . 1 . . . . 11 Glu CB . 16386 1 123 . 1 1 11 11 GLU CG C 13 36.410 0.3 . 1 . . . . 11 Glu CG . 16386 1 124 . 1 1 11 11 GLU N N 15 120.562 0.3 . 1 . . . . 11 Glu N . 16386 1 125 . 1 1 12 12 ALA H H 1 8.089 0.025 . 1 . . . . 12 Ala H . 16386 1 126 . 1 1 12 12 ALA HA H 1 4.233 0.025 . 1 . . . . 12 Ala HA . 16386 1 127 . 1 1 12 12 ALA HB1 H 1 1.151 0.025 . 1 . . . . 12 Ala HB . 16386 1 128 . 1 1 12 12 ALA HB2 H 1 1.151 0.025 . 1 . . . . 12 Ala HB . 16386 1 129 . 1 1 12 12 ALA HB3 H 1 1.151 0.025 . 1 . . . . 12 Ala HB . 16386 1 130 . 1 1 12 12 ALA C C 13 178.135 0.3 . 1 . . . . 12 Ala C . 16386 1 131 . 1 1 12 12 ALA CA C 13 53.092 0.3 . 1 . . . . 12 Ala CA . 16386 1 132 . 1 1 12 12 ALA CB C 13 19.570 0.3 . 1 . . . . 12 Ala CB . 16386 1 133 . 1 1 12 12 ALA N N 15 123.927 0.3 . 1 . . . . 12 Ala N . 16386 1 134 . 1 1 13 13 CYS H H 1 8.725 0.025 . 1 . . . . 13 Cys H . 16386 1 135 . 1 1 13 13 CYS HA H 1 4.816 0.025 . 1 . . . . 13 Cys HA . 16386 1 136 . 1 1 13 13 CYS HB2 H 1 2.709 0.025 . 2 . . . . 13 Cys HB2 . 16386 1 137 . 1 1 13 13 CYS HB3 H 1 3.013 0.025 . 2 . . . . 13 Cys HB3 . 16386 1 138 . 1 1 13 13 CYS C C 13 175.490 0.3 . 1 . . . . 13 Cys C . 16386 1 139 . 1 1 13 13 CYS CA C 13 52.752 0.3 . 1 . . . . 13 Cys CA . 16386 1 140 . 1 1 13 13 CYS CB C 13 36.168 0.3 . 1 . . . . 13 Cys CB . 16386 1 141 . 1 1 13 13 CYS N N 15 114.120 0.3 . 1 . . . . 13 Cys N . 16386 1 142 . 1 1 14 14 LYS H H 1 8.246 0.025 . 1 . . . . 14 Lys H . 16386 1 143 . 1 1 14 14 LYS HA H 1 4.027 0.025 . 1 . . . . 14 Lys HA . 16386 1 144 . 1 1 14 14 LYS HB2 H 1 1.797 0.025 . 2 . . . . 14 Lys HB2 . 16386 1 145 . 1 1 14 14 LYS HB3 H 1 1.797 0.025 . 2 . . . . 14 Lys HB3 . 16386 1 146 . 1 1 14 14 LYS HD2 H 1 1.680 0.025 . 2 . . . . 14 Lys HD2 . 16386 1 147 . 1 1 14 14 LYS HD3 H 1 1.680 0.025 . 2 . . . . 14 Lys HD3 . 16386 1 148 . 1 1 14 14 LYS HE2 H 1 2.985 0.025 . 2 . . . . 14 Lys HE2 . 16386 1 149 . 1 1 14 14 LYS HE3 H 1 2.985 0.025 . 2 . . . . 14 Lys HE3 . 16386 1 150 . 1 1 14 14 LYS HG2 H 1 1.420 0.025 . 2 . . . . 14 Lys HG2 . 16386 1 151 . 1 1 14 14 LYS HG3 H 1 1.343 0.025 . 2 . . . . 14 Lys HG3 . 16386 1 152 . 1 1 14 14 LYS C C 13 177.863 0.3 . 1 . . . . 14 Lys C . 16386 1 153 . 1 1 14 14 LYS CA C 13 58.289 0.3 . 1 . . . . 14 Lys CA . 16386 1 154 . 1 1 14 14 LYS CB C 13 31.489 0.3 . 1 . . . . 14 Lys CB . 16386 1 155 . 1 1 14 14 LYS CD C 13 29.258 0.3 . 1 . . . . 14 Lys CD . 16386 1 156 . 1 1 14 14 LYS CE C 13 42.138 0.3 . 1 . . . . 14 Lys CE . 16386 1 157 . 1 1 14 14 LYS CG C 13 24.715 0.3 . 1 . . . . 14 Lys CG . 16386 1 158 . 1 1 14 14 LYS N N 15 121.767 0.3 . 1 . . . . 14 Lys N . 16386 1 159 . 1 1 15 15 GLY H H 1 8.979 0.025 . 1 . . . . 15 Gly H . 16386 1 160 . 1 1 15 15 GLY HA2 H 1 4.161 0.025 . 2 . . . . 15 Gly HA2 . 16386 1 161 . 1 1 15 15 GLY HA3 H 1 3.765 0.025 . 2 . . . . 15 Gly HA3 . 16386 1 162 . 1 1 15 15 GLY C C 13 173.903 0.3 . 1 . . . . 15 Gly C . 16386 1 163 . 1 1 15 15 GLY CA C 13 45.603 0.3 . 1 . . . . 15 Gly CA . 16386 1 164 . 1 1 15 15 GLY N N 15 113.508 0.3 . 1 . . . . 15 Gly N . 16386 1 165 . 1 1 16 16 GLU H H 1 8.027 0.025 . 1 . . . . 16 Glu H . 16386 1 166 . 1 1 16 16 GLU HA H 1 4.555 0.025 . 1 . . . . 16 Glu HA . 16386 1 167 . 1 1 16 16 GLU HB2 H 1 2.287 0.025 . 2 . . . . 16 Glu HB2 . 16386 1 168 . 1 1 16 16 GLU HB3 H 1 1.565 0.025 . 2 . . . . 16 Glu HB3 . 16386 1 169 . 1 1 16 16 GLU HG2 H 1 2.172 0.025 . 2 . . . . 16 Glu HG2 . 16386 1 170 . 1 1 16 16 GLU HG3 H 1 2.038 0.025 . 2 . . . . 16 Glu HG3 . 16386 1 171 . 1 1 16 16 GLU C C 13 174.310 0.3 . 1 . . . . 16 Glu C . 16386 1 172 . 1 1 16 16 GLU CA C 13 55.213 0.3 . 1 . . . . 16 Glu CA . 16386 1 173 . 1 1 16 16 GLU CB C 13 31.839 0.3 . 1 . . . . 16 Glu CB . 16386 1 174 . 1 1 16 16 GLU CG C 13 36.928 0.3 . 1 . . . . 16 Glu CG . 16386 1 175 . 1 1 16 16 GLU N N 15 120.692 0.3 . 1 . . . . 16 Glu N . 16386 1 176 . 1 1 17 17 MET H H 1 8.943 0.025 . 1 . . . . 17 Met H . 16386 1 177 . 1 1 17 17 MET HA H 1 4.584 0.025 . 1 . . . . 17 Met HA . 16386 1 178 . 1 1 17 17 MET HB2 H 1 2.050 0.025 . 2 . . . . 17 Met HB2 . 16386 1 179 . 1 1 17 17 MET HB3 H 1 1.901 0.025 . 2 . . . . 17 Met HB3 . 16386 1 180 . 1 1 17 17 MET HE1 H 1 2.033 0.025 . 1 . . . . 17 Met HE . 16386 1 181 . 1 1 17 17 MET HE2 H 1 2.033 0.025 . 1 . . . . 17 Met HE . 16386 1 182 . 1 1 17 17 MET HE3 H 1 2.033 0.025 . 1 . . . . 17 Met HE . 16386 1 183 . 1 1 17 17 MET HG2 H 1 2.415 0.025 . 2 . . . . 17 Met HG2 . 16386 1 184 . 1 1 17 17 MET HG3 H 1 2.415 0.025 . 2 . . . . 17 Met HG3 . 16386 1 185 . 1 1 17 17 MET C C 13 173.801 0.3 . 1 . . . . 17 Met C . 16386 1 186 . 1 1 17 17 MET CA C 13 55.183 0.3 . 1 . . . . 17 Met CA . 16386 1 187 . 1 1 17 17 MET CB C 13 34.221 0.3 . 1 . . . . 17 Met CB . 16386 1 188 . 1 1 17 17 MET CE C 13 16.925 0.3 . 1 . . . . 17 Met CE . 16386 1 189 . 1 1 17 17 MET CG C 13 31.524 0.3 . 1 . . . . 17 Met CG . 16386 1 190 . 1 1 17 17 MET N N 15 120.713 0.3 . 1 . . . . 17 Met N . 16386 1 191 . 1 1 18 18 LYS H H 1 8.789 0.025 . 1 . . . . 18 Lys H . 16386 1 192 . 1 1 18 18 LYS HA H 1 5.083 0.025 . 1 . . . . 18 Lys HA . 16386 1 193 . 1 1 18 18 LYS HB2 H 1 2.072 0.025 . 2 . . . . 18 Lys HB2 . 16386 1 194 . 1 1 18 18 LYS HB3 H 1 1.431 0.025 . 2 . . . . 18 Lys HB3 . 16386 1 195 . 1 1 18 18 LYS HD2 H 1 1.558 0.025 . 2 . . . . 18 Lys HD2 . 16386 1 196 . 1 1 18 18 LYS HD3 H 1 1.442 0.025 . 2 . . . . 18 Lys HD3 . 16386 1 197 . 1 1 18 18 LYS HE2 H 1 2.479 0.025 . 2 . . . . 18 Lys HE2 . 16386 1 198 . 1 1 18 18 LYS HE3 H 1 2.215 0.025 . 2 . . . . 18 Lys HE3 . 16386 1 199 . 1 1 18 18 LYS HG2 H 1 1.305 0.025 . 2 . . . . 18 Lys HG2 . 16386 1 200 . 1 1 18 18 LYS HG3 H 1 1.108 0.025 . 2 . . . . 18 Lys HG3 . 16386 1 201 . 1 1 18 18 LYS C C 13 175.138 0.3 . 1 . . . . 18 Lys C . 16386 1 202 . 1 1 18 18 LYS CA C 13 55.726 0.3 . 1 . . . . 18 Lys CA . 16386 1 203 . 1 1 18 18 LYS CB C 13 35.053 0.3 . 1 . . . . 18 Lys CB . 16386 1 204 . 1 1 18 18 LYS CD C 13 29.907 0.3 . 1 . . . . 18 Lys CD . 16386 1 205 . 1 1 18 18 LYS CE C 13 41.628 0.3 . 1 . . . . 18 Lys CE . 16386 1 206 . 1 1 18 18 LYS CG C 13 25.987 0.3 . 1 . . . . 18 Lys CG . 16386 1 207 . 1 1 18 18 LYS N N 15 127.261 0.3 . 1 . . . . 18 Lys N . 16386 1 208 . 1 1 19 19 CYS H H 1 9.132 0.025 . 1 . . . . 19 Cys H . 16386 1 209 . 1 1 19 19 CYS HA H 1 5.273 0.025 . 1 . . . . 19 Cys HA . 16386 1 210 . 1 1 19 19 CYS HB2 H 1 2.929 0.025 . 2 . . . . 19 Cys HB2 . 16386 1 211 . 1 1 19 19 CYS HB3 H 1 2.822 0.025 . 2 . . . . 19 Cys HB3 . 16386 1 212 . 1 1 19 19 CYS C C 13 174.193 0.3 . 1 . . . . 19 Cys C . 16386 1 213 . 1 1 19 19 CYS CA C 13 54.753 0.3 . 1 . . . . 19 Cys CA . 16386 1 214 . 1 1 19 19 CYS CB C 13 43.915 0.3 . 1 . . . . 19 Cys CB . 16386 1 215 . 1 1 19 19 CYS N N 15 126.193 0.3 . 1 . . . . 19 Cys N . 16386 1 216 . 1 1 20 20 ILE H H 1 10.001 0.025 . 1 . . . . 20 Ile H . 16386 1 217 . 1 1 20 20 ILE HA H 1 5.483 0.025 . 1 . . . . 20 Ile HA . 16386 1 218 . 1 1 20 20 ILE HB H 1 2.039 0.025 . 1 . . . . 20 Ile HB . 16386 1 219 . 1 1 20 20 ILE HD11 H 1 0.825 0.025 . 1 . . . . 20 Ile HD1 . 16386 1 220 . 1 1 20 20 ILE HD12 H 1 0.825 0.025 . 1 . . . . 20 Ile HD1 . 16386 1 221 . 1 1 20 20 ILE HD13 H 1 0.825 0.025 . 1 . . . . 20 Ile HD1 . 16386 1 222 . 1 1 20 20 ILE HG12 H 1 1.418 0.025 . 2 . . . . 20 Ile HG12 . 16386 1 223 . 1 1 20 20 ILE HG13 H 1 1.173 0.025 . 2 . . . . 20 Ile HG13 . 16386 1 224 . 1 1 20 20 ILE HG21 H 1 1.038 0.025 . 1 . . . . 20 Ile HG2 . 16386 1 225 . 1 1 20 20 ILE HG22 H 1 1.038 0.025 . 1 . . . . 20 Ile HG2 . 16386 1 226 . 1 1 20 20 ILE HG23 H 1 1.038 0.025 . 1 . . . . 20 Ile HG2 . 16386 1 227 . 1 1 20 20 ILE C C 13 176.355 0.3 . 1 . . . . 20 Ile C . 16386 1 228 . 1 1 20 20 ILE CA C 13 59.977 0.3 . 1 . . . . 20 Ile CA . 16386 1 229 . 1 1 20 20 ILE CB C 13 42.458 0.3 . 1 . . . . 20 Ile CB . 16386 1 230 . 1 1 20 20 ILE CD1 C 13 14.350 0.3 . 1 . . . . 20 Ile CD1 . 16386 1 231 . 1 1 20 20 ILE CG1 C 13 26.436 0.3 . 1 . . . . 20 Ile CG1 . 16386 1 232 . 1 1 20 20 ILE CG2 C 13 18.625 0.3 . 1 . . . . 20 Ile CG2 . 16386 1 233 . 1 1 20 20 ILE N N 15 119.415 0.3 . 1 . . . . 20 Ile N . 16386 1 234 . 1 1 21 21 ASN H H 1 8.092 0.025 . 1 . . . . 21 Asn H . 16386 1 235 . 1 1 21 21 ASN HA H 1 4.906 0.025 . 1 . . . . 21 Asn HA . 16386 1 236 . 1 1 21 21 ASN HB2 H 1 2.823 0.025 . 2 . . . . 21 Asn HB2 . 16386 1 237 . 1 1 21 21 ASN HB3 H 1 1.274 0.025 . 2 . . . . 21 Asn HB3 . 16386 1 238 . 1 1 21 21 ASN HD21 H 1 7.359 0.025 . 2 . . . . 21 Asn HD21 . 16386 1 239 . 1 1 21 21 ASN HD22 H 1 7.359 0.025 . 2 . . . . 21 Asn HD22 . 16386 1 240 . 1 1 21 21 ASN CA C 13 50.729 0.3 . 1 . . . . 21 Asn CA . 16386 1 241 . 1 1 21 21 ASN CB C 13 38.492 0.3 . 1 . . . . 21 Asn CB . 16386 1 242 . 1 1 21 21 ASN ND2 N 15 112.081 0.3 . 1 . . . . 21 Asn ND2 . 16386 1 243 . 1 1 22 22 HIS HD2 H 1 6.895 0.025 . 1 . . . . 22 His HD2 . 16386 1 244 . 1 1 22 22 HIS HE1 H 1 8.005 0.025 . 1 . . . . 22 His HE1 . 16386 1 245 . 1 1 22 22 HIS C C 13 174.724 0.3 . 1 . . . . 22 His C . 16386 1 246 . 1 1 22 22 HIS CD2 C 13 119.015 0.3 . 1 . . . . 22 His CD2 . 16386 1 247 . 1 1 22 22 HIS CE1 C 13 137.770 0.3 . 1 . . . . 22 His CE1 . 16386 1 248 . 1 1 22 22 HIS ND1 N 15 213.925 0.3 . 1 . . . . 22 His ND1 . 16386 1 249 . 1 1 22 22 HIS NE2 N 15 177.743 0.3 . 1 . . . . 22 His NE2 . 16386 1 250 . 1 1 23 23 TYR H H 1 7.932 0.025 . 1 . . . . 23 Tyr H . 16386 1 251 . 1 1 23 23 TYR HA H 1 4.785 0.025 . 1 . . . . 23 Tyr HA . 16386 1 252 . 1 1 23 23 TYR HB2 H 1 3.307 0.025 . 2 . . . . 23 Tyr HB2 . 16386 1 253 . 1 1 23 23 TYR HB3 H 1 2.660 0.025 . 2 . . . . 23 Tyr HB3 . 16386 1 254 . 1 1 23 23 TYR HD1 H 1 6.965 0.025 . 3 . . . . 23 Tyr HD1 . 16386 1 255 . 1 1 23 23 TYR HD2 H 1 6.968 0.025 . 3 . . . . 23 Tyr HD2 . 16386 1 256 . 1 1 23 23 TYR HE1 H 1 6.808 0.025 . 3 . . . . 23 Tyr HE1 . 16386 1 257 . 1 1 23 23 TYR HE2 H 1 6.807 0.025 . 3 . . . . 23 Tyr HE2 . 16386 1 258 . 1 1 23 23 TYR C C 13 176.186 0.3 . 1 . . . . 23 Tyr C . 16386 1 259 . 1 1 23 23 TYR CA C 13 56.891 0.3 . 1 . . . . 23 Tyr CA . 16386 1 260 . 1 1 23 23 TYR CB C 13 38.509 0.3 . 1 . . . . 23 Tyr CB . 16386 1 261 . 1 1 23 23 TYR CD1 C 13 132.854 0.3 . 3 . . . . 23 Tyr CD1 . 16386 1 262 . 1 1 23 23 TYR CD2 C 13 132.854 0.3 . 3 . . . . 23 Tyr CD2 . 16386 1 263 . 1 1 23 23 TYR CE1 C 13 118.380 0.3 . 3 . . . . 23 Tyr CE1 . 16386 1 264 . 1 1 23 23 TYR CE2 C 13 118.339 0.3 . 3 . . . . 23 Tyr CE2 . 16386 1 265 . 1 1 23 23 TYR N N 15 117.160 0.3 . 1 . . . . 23 Tyr N . 16386 1 266 . 1 1 24 24 GLY HA2 H 1 4.411 0.025 . 2 . . . . 24 Gly HA2 . 16386 1 267 . 1 1 24 24 GLY HA3 H 1 3.674 0.025 . 2 . . . . 24 Gly HA3 . 16386 1 268 . 1 1 24 24 GLY C C 13 174.895 0.3 . 1 . . . . 24 Gly C . 16386 1 269 . 1 1 24 24 GLY CA C 13 45.377 0.3 . 1 . . . . 24 Gly CA . 16386 1 270 . 1 1 25 25 GLY H H 1 8.418 0.025 . 1 . . . . 25 Gly H . 16386 1 271 . 1 1 25 25 GLY HA2 H 1 4.461 0.025 . 2 . . . . 25 Gly HA2 . 16386 1 272 . 1 1 25 25 GLY HA3 H 1 3.737 0.025 . 2 . . . . 25 Gly HA3 . 16386 1 273 . 1 1 25 25 GLY C C 13 172.832 0.3 . 1 . . . . 25 Gly C . 16386 1 274 . 1 1 25 25 GLY CA C 13 44.602 0.3 . 1 . . . . 25 Gly CA . 16386 1 275 . 1 1 25 25 GLY N N 15 110.337 0.3 . 1 . . . . 25 Gly N . 16386 1 276 . 1 1 26 26 TYR H H 1 8.256 0.025 . 1 . . . . 26 Tyr H . 16386 1 277 . 1 1 26 26 TYR HA H 1 6.053 0.025 . 1 . . . . 26 Tyr HA . 16386 1 278 . 1 1 26 26 TYR HB2 H 1 2.954 0.025 . 2 . . . . 26 Tyr HB2 . 16386 1 279 . 1 1 26 26 TYR HB3 H 1 2.954 0.025 . 2 . . . . 26 Tyr HB3 . 16386 1 280 . 1 1 26 26 TYR HD1 H 1 6.881 0.025 . 3 . . . . 26 Tyr HD1 . 16386 1 281 . 1 1 26 26 TYR HD2 H 1 6.878 0.025 . 3 . . . . 26 Tyr HD2 . 16386 1 282 . 1 1 26 26 TYR HE1 H 1 6.818 0.025 . 3 . . . . 26 Tyr HE1 . 16386 1 283 . 1 1 26 26 TYR HE2 H 1 6.819 0.025 . 3 . . . . 26 Tyr HE2 . 16386 1 284 . 1 1 26 26 TYR C C 13 173.625 0.3 . 1 . . . . 26 Tyr C . 16386 1 285 . 1 1 26 26 TYR CA C 13 55.921 0.3 . 1 . . . . 26 Tyr CA . 16386 1 286 . 1 1 26 26 TYR CB C 13 42.690 0.3 . 1 . . . . 26 Tyr CB . 16386 1 287 . 1 1 26 26 TYR CD1 C 13 132.885 0.3 . 3 . . . . 26 Tyr CD1 . 16386 1 288 . 1 1 26 26 TYR CD2 C 13 132.885 0.3 . 3 . . . . 26 Tyr CD2 . 16386 1 289 . 1 1 26 26 TYR CE1 C 13 118.560 0.3 . 3 . . . . 26 Tyr CE1 . 16386 1 290 . 1 1 26 26 TYR CE2 C 13 118.553 0.3 . 3 . . . . 26 Tyr CE2 . 16386 1 291 . 1 1 26 26 TYR N N 15 116.601 0.3 . 1 . . . . 26 Tyr N . 16386 1 292 . 1 1 27 27 LEU H H 1 9.227 0.025 . 1 . . . . 27 Leu H . 16386 1 293 . 1 1 27 27 LEU HA H 1 4.437 0.025 . 1 . . . . 27 Leu HA . 16386 1 294 . 1 1 27 27 LEU HB2 H 1 1.295 0.025 . 2 . . . . 27 Leu HB2 . 16386 1 295 . 1 1 27 27 LEU HB3 H 1 1.120 0.025 . 2 . . . . 27 Leu HB3 . 16386 1 296 . 1 1 27 27 LEU HD11 H 1 0.502 0.025 . 2 . . . . 27 Leu HD1 . 16386 1 297 . 1 1 27 27 LEU HD12 H 1 0.502 0.025 . 2 . . . . 27 Leu HD1 . 16386 1 298 . 1 1 27 27 LEU HD13 H 1 0.502 0.025 . 2 . . . . 27 Leu HD1 . 16386 1 299 . 1 1 27 27 LEU HD21 H 1 0.295 0.025 . 2 . . . . 27 Leu HD2 . 16386 1 300 . 1 1 27 27 LEU HD22 H 1 0.295 0.025 . 2 . . . . 27 Leu HD2 . 16386 1 301 . 1 1 27 27 LEU HD23 H 1 0.295 0.025 . 2 . . . . 27 Leu HD2 . 16386 1 302 . 1 1 27 27 LEU HG H 1 1.112 0.025 . 1 . . . . 27 Leu HG . 16386 1 303 . 1 1 27 27 LEU C C 13 175.019 0.3 . 1 . . . . 27 Leu C . 16386 1 304 . 1 1 27 27 LEU CA C 13 53.999 0.3 . 1 . . . . 27 Leu CA . 16386 1 305 . 1 1 27 27 LEU CB C 13 46.334 0.3 . 1 . . . . 27 Leu CB . 16386 1 306 . 1 1 27 27 LEU CD1 C 13 24.389 0.3 . 2 . . . . 27 Leu CD1 . 16386 1 307 . 1 1 27 27 LEU CD2 C 13 25.039 0.3 . 2 . . . . 27 Leu CD2 . 16386 1 308 . 1 1 27 27 LEU CG C 13 26.468 0.3 . 1 . . . . 27 Leu CG . 16386 1 309 . 1 1 27 27 LEU N N 15 121.005 0.3 . 1 . . . . 27 Leu N . 16386 1 310 . 1 1 28 28 CYS H H 1 8.801 0.025 . 1 . . . . 28 Cys H . 16386 1 311 . 1 1 28 28 CYS HA H 1 5.730 0.025 . 1 . . . . 28 Cys HA . 16386 1 312 . 1 1 28 28 CYS HB2 H 1 2.703 0.025 . 2 . . . . 28 Cys HB2 . 16386 1 313 . 1 1 28 28 CYS HB3 H 1 3.126 0.025 . 2 . . . . 28 Cys HB3 . 16386 1 314 . 1 1 28 28 CYS C C 13 174.452 0.3 . 1 . . . . 28 Cys C . 16386 1 315 . 1 1 28 28 CYS CA C 13 51.978 0.3 . 1 . . . . 28 Cys CA . 16386 1 316 . 1 1 28 28 CYS CB C 13 37.734 0.3 . 1 . . . . 28 Cys CB . 16386 1 317 . 1 1 28 28 CYS N N 15 120.613 0.3 . 1 . . . . 28 Cys N . 16386 1 318 . 1 1 29 29 LEU H H 1 9.371 0.025 . 1 . . . . 29 Leu H . 16386 1 319 . 1 1 29 29 LEU HA H 1 4.891 0.025 . 1 . . . . 29 Leu HA . 16386 1 320 . 1 1 29 29 LEU HB2 H 1 1.619 0.025 . 2 . . . . 29 Leu HB2 . 16386 1 321 . 1 1 29 29 LEU HB3 H 1 1.386 0.025 . 2 . . . . 29 Leu HB3 . 16386 1 322 . 1 1 29 29 LEU HD11 H 1 0.824 0.025 . 2 . . . . 29 Leu HD1 . 16386 1 323 . 1 1 29 29 LEU HD12 H 1 0.824 0.025 . 2 . . . . 29 Leu HD1 . 16386 1 324 . 1 1 29 29 LEU HD13 H 1 0.824 0.025 . 2 . . . . 29 Leu HD1 . 16386 1 325 . 1 1 29 29 LEU HD21 H 1 0.831 0.025 . 2 . . . . 29 Leu HD2 . 16386 1 326 . 1 1 29 29 LEU HD22 H 1 0.831 0.025 . 2 . . . . 29 Leu HD2 . 16386 1 327 . 1 1 29 29 LEU HD23 H 1 0.831 0.025 . 2 . . . . 29 Leu HD2 . 16386 1 328 . 1 1 29 29 LEU HG H 1 1.557 0.025 . 1 . . . . 29 Leu HG . 16386 1 329 . 1 1 29 29 LEU C C 13 173.339 0.3 . 1 . . . . 29 Leu C . 16386 1 330 . 1 1 29 29 LEU CA C 13 51.743 0.3 . 1 . . . . 29 Leu CA . 16386 1 331 . 1 1 29 29 LEU CB C 13 44.633 0.3 . 1 . . . . 29 Leu CB . 16386 1 332 . 1 1 29 29 LEU CD1 C 13 25.882 0.3 . 2 . . . . 29 Leu CD1 . 16386 1 333 . 1 1 29 29 LEU CD2 C 13 24.465 0.3 . 2 . . . . 29 Leu CD2 . 16386 1 334 . 1 1 29 29 LEU CG C 13 27.763 0.3 . 1 . . . . 29 Leu CG . 16386 1 335 . 1 1 29 29 LEU N N 15 127.550 0.3 . 1 . . . . 29 Leu N . 16386 1 336 . 1 1 30 30 PRO HA H 1 4.478 0.025 . 1 . . . . 30 Pro HA . 16386 1 337 . 1 1 30 30 PRO HB2 H 1 1.856 0.025 . 2 . . . . 30 Pro HB2 . 16386 1 338 . 1 1 30 30 PRO HB3 H 1 2.343 0.025 . 2 . . . . 30 Pro HB3 . 16386 1 339 . 1 1 30 30 PRO HD2 H 1 3.815 0.025 . 2 . . . . 30 Pro HD2 . 16386 1 340 . 1 1 30 30 PRO HD3 H 1 3.561 0.025 . 2 . . . . 30 Pro HD3 . 16386 1 341 . 1 1 30 30 PRO HG2 H 1 2.027 0.025 . 2 . . . . 30 Pro HG2 . 16386 1 342 . 1 1 30 30 PRO HG3 H 1 2.027 0.025 . 2 . . . . 30 Pro HG3 . 16386 1 343 . 1 1 30 30 PRO C C 13 177.206 0.3 . 1 . . . . 30 Pro C . 16386 1 344 . 1 1 30 30 PRO CA C 13 62.730 0.3 . 1 . . . . 30 Pro CA . 16386 1 345 . 1 1 30 30 PRO CB C 13 31.984 0.3 . 1 . . . . 30 Pro CB . 16386 1 346 . 1 1 30 30 PRO CD C 13 50.466 0.3 . 1 . . . . 30 Pro CD . 16386 1 347 . 1 1 30 30 PRO CG C 13 27.583 0.3 . 1 . . . . 30 Pro CG . 16386 1 348 . 1 1 31 31 ARG H H 1 8.856 0.025 . 1 . . . . 31 Arg H . 16386 1 349 . 1 1 31 31 ARG HA H 1 4.189 0.025 . 1 . . . . 31 Arg HA . 16386 1 350 . 1 1 31 31 ARG HB2 H 1 1.853 0.025 . 2 . . . . 31 Arg HB2 . 16386 1 351 . 1 1 31 31 ARG HB3 H 1 1.743 0.025 . 2 . . . . 31 Arg HB3 . 16386 1 352 . 1 1 31 31 ARG HD2 H 1 3.169 0.025 . 2 . . . . 31 Arg HD2 . 16386 1 353 . 1 1 31 31 ARG HD3 H 1 3.137 0.025 . 2 . . . . 31 Arg HD3 . 16386 1 354 . 1 1 31 31 ARG HE H 1 7.100 0.025 . 1 . . . . 31 Arg HE . 16386 1 355 . 1 1 31 31 ARG HG2 H 1 1.638 0.025 . 2 . . . . 31 Arg HG2 . 16386 1 356 . 1 1 31 31 ARG HG3 H 1 1.684 0.025 . 2 . . . . 31 Arg HG3 . 16386 1 357 . 1 1 31 31 ARG C C 13 176.891 0.3 . 1 . . . . 31 Arg C . 16386 1 358 . 1 1 31 31 ARG CA C 13 56.964 0.3 . 1 . . . . 31 Arg CA . 16386 1 359 . 1 1 31 31 ARG CB C 13 30.633 0.3 . 1 . . . . 31 Arg CB . 16386 1 360 . 1 1 31 31 ARG CD C 13 43.318 0.3 . 1 . . . . 31 Arg CD . 16386 1 361 . 1 1 31 31 ARG CG C 13 28.248 0.3 . 1 . . . . 31 Arg CG . 16386 1 362 . 1 1 31 31 ARG N N 15 121.660 0.3 . 1 . . . . 31 Arg N . 16386 1 363 . 1 1 31 31 ARG NE N 15 84.283 0.3 . 1 . . . . 31 Arg NE . 16386 1 364 . 1 1 32 32 SER H H 1 8.318 0.025 . 1 . . . . 32 Ser H . 16386 1 365 . 1 1 32 32 SER HA H 1 4.389 0.025 . 1 . . . . 32 Ser HA . 16386 1 366 . 1 1 32 32 SER HB2 H 1 3.831 0.025 . 2 . . . . 32 Ser HB2 . 16386 1 367 . 1 1 32 32 SER HB3 H 1 3.831 0.025 . 2 . . . . 32 Ser HB3 . 16386 1 368 . 1 1 32 32 SER C C 13 174.251 0.3 . 1 . . . . 32 Ser C . 16386 1 369 . 1 1 32 32 SER CA C 13 58.238 0.3 . 1 . . . . 32 Ser CA . 16386 1 370 . 1 1 32 32 SER CB C 13 63.821 0.3 . 1 . . . . 32 Ser CB . 16386 1 371 . 1 1 32 32 SER N N 15 116.432 0.3 . 1 . . . . 32 Ser N . 16386 1 372 . 1 1 33 33 ALA H H 1 8.353 0.025 . 1 . . . . 33 Ala H . 16386 1 373 . 1 1 33 33 ALA HA H 1 4.307 0.025 . 1 . . . . 33 Ala HA . 16386 1 374 . 1 1 33 33 ALA HB1 H 1 1.391 0.025 . 1 . . . . 33 Ala HB . 16386 1 375 . 1 1 33 33 ALA HB2 H 1 1.391 0.025 . 1 . . . . 33 Ala HB . 16386 1 376 . 1 1 33 33 ALA HB3 H 1 1.391 0.025 . 1 . . . . 33 Ala HB . 16386 1 377 . 1 1 33 33 ALA C C 13 177.290 0.3 . 1 . . . . 33 Ala C . 16386 1 378 . 1 1 33 33 ALA CA C 13 52.515 0.3 . 1 . . . . 33 Ala CA . 16386 1 379 . 1 1 33 33 ALA CB C 13 19.358 0.3 . 1 . . . . 33 Ala CB . 16386 1 380 . 1 1 33 33 ALA N N 15 126.203 0.3 . 1 . . . . 33 Ala N . 16386 1 381 . 1 1 34 34 ALA H H 1 8.178 0.025 . 1 . . . . 34 Ala H . 16386 1 382 . 1 1 34 34 ALA HA H 1 4.280 0.025 . 1 . . . . 34 Ala HA . 16386 1 383 . 1 1 34 34 ALA HB1 H 1 1.347 0.025 . 1 . . . . 34 Ala HB . 16386 1 384 . 1 1 34 34 ALA HB2 H 1 1.347 0.025 . 1 . . . . 34 Ala HB . 16386 1 385 . 1 1 34 34 ALA HB3 H 1 1.347 0.025 . 1 . . . . 34 Ala HB . 16386 1 386 . 1 1 34 34 ALA C C 13 177.519 0.3 . 1 . . . . 34 Ala C . 16386 1 387 . 1 1 34 34 ALA CA C 13 52.480 0.3 . 1 . . . . 34 Ala CA . 16386 1 388 . 1 1 34 34 ALA CB C 13 19.250 0.3 . 1 . . . . 34 Ala CB . 16386 1 389 . 1 1 34 34 ALA N N 15 123.091 0.3 . 1 . . . . 34 Ala N . 16386 1 390 . 1 1 35 35 VAL H H 1 8.083 0.025 . 1 . . . . 35 Val H . 16386 1 391 . 1 1 35 35 VAL HA H 1 4.060 0.025 . 1 . . . . 35 Val HA . 16386 1 392 . 1 1 35 35 VAL HB H 1 2.033 0.025 . 1 . . . . 35 Val HB . 16386 1 393 . 1 1 35 35 VAL HG11 H 1 0.924 0.025 . 2 . . . . 35 Val HG1 . 16386 1 394 . 1 1 35 35 VAL HG12 H 1 0.924 0.025 . 2 . . . . 35 Val HG1 . 16386 1 395 . 1 1 35 35 VAL HG13 H 1 0.924 0.025 . 2 . . . . 35 Val HG1 . 16386 1 396 . 1 1 35 35 VAL HG21 H 1 0.894 0.025 . 2 . . . . 35 Val HG2 . 16386 1 397 . 1 1 35 35 VAL HG22 H 1 0.894 0.025 . 2 . . . . 35 Val HG2 . 16386 1 398 . 1 1 35 35 VAL HG23 H 1 0.894 0.025 . 2 . . . . 35 Val HG2 . 16386 1 399 . 1 1 35 35 VAL C C 13 176.050 0.3 . 1 . . . . 35 Val C . 16386 1 400 . 1 1 35 35 VAL CA C 13 62.297 0.3 . 1 . . . . 35 Val CA . 16386 1 401 . 1 1 35 35 VAL CB C 13 32.695 0.3 . 1 . . . . 35 Val CB . 16386 1 402 . 1 1 35 35 VAL CG1 C 13 20.871 0.3 . 2 . . . . 35 Val CG1 . 16386 1 403 . 1 1 35 35 VAL CG2 C 13 21.173 0.3 . 2 . . . . 35 Val CG2 . 16386 1 404 . 1 1 35 35 VAL N N 15 120.060 0.3 . 1 . . . . 35 Val N . 16386 1 405 . 1 1 36 36 ILE H H 1 8.264 0.025 . 1 . . . . 36 Ile H . 16386 1 406 . 1 1 36 36 ILE HA H 1 4.141 0.025 . 1 . . . . 36 Ile HA . 16386 1 407 . 1 1 36 36 ILE HB H 1 1.833 0.025 . 1 . . . . 36 Ile HB . 16386 1 408 . 1 1 36 36 ILE HD11 H 1 0.826 0.025 . 1 . . . . 36 Ile HD1 . 16386 1 409 . 1 1 36 36 ILE HD12 H 1 0.826 0.025 . 1 . . . . 36 Ile HD1 . 16386 1 410 . 1 1 36 36 ILE HD13 H 1 0.826 0.025 . 1 . . . . 36 Ile HD1 . 16386 1 411 . 1 1 36 36 ILE HG12 H 1 1.447 0.025 . 2 . . . . 36 Ile HG12 . 16386 1 412 . 1 1 36 36 ILE HG13 H 1 1.152 0.025 . 2 . . . . 36 Ile HG13 . 16386 1 413 . 1 1 36 36 ILE HG21 H 1 0.874 0.025 . 1 . . . . 36 Ile HG2 . 16386 1 414 . 1 1 36 36 ILE HG22 H 1 0.874 0.025 . 1 . . . . 36 Ile HG2 . 16386 1 415 . 1 1 36 36 ILE HG23 H 1 0.874 0.025 . 1 . . . . 36 Ile HG2 . 16386 1 416 . 1 1 36 36 ILE C C 13 175.848 0.3 . 1 . . . . 36 Ile C . 16386 1 417 . 1 1 36 36 ILE CA C 13 60.924 0.3 . 1 . . . . 36 Ile CA . 16386 1 418 . 1 1 36 36 ILE CB C 13 38.614 0.3 . 1 . . . . 36 Ile CB . 16386 1 419 . 1 1 36 36 ILE CD1 C 13 12.715 0.3 . 1 . . . . 36 Ile CD1 . 16386 1 420 . 1 1 36 36 ILE CG1 C 13 27.236 0.3 . 1 . . . . 36 Ile CG1 . 16386 1 421 . 1 1 36 36 ILE CG2 C 13 17.530 0.3 . 1 . . . . 36 Ile CG2 . 16386 1 422 . 1 1 36 36 ILE N N 15 125.147 0.3 . 1 . . . . 36 Ile N . 16386 1 423 . 1 1 37 37 ASN H H 1 8.501 0.025 . 1 . . . . 37 Asn H . 16386 1 424 . 1 1 37 37 ASN HA H 1 4.702 0.025 . 1 . . . . 37 Asn HA . 16386 1 425 . 1 1 37 37 ASN HB2 H 1 2.757 0.025 . 2 . . . . 37 Asn HB2 . 16386 1 426 . 1 1 37 37 ASN HB3 H 1 2.831 0.025 . 2 . . . . 37 Asn HB3 . 16386 1 427 . 1 1 37 37 ASN HD21 H 1 7.683 0.025 . 2 . . . . 37 Asn HD21 . 16386 1 428 . 1 1 37 37 ASN HD22 H 1 6.949 0.025 . 2 . . . . 37 Asn HD22 . 16386 1 429 . 1 1 37 37 ASN C C 13 174.609 0.3 . 1 . . . . 37 Asn C . 16386 1 430 . 1 1 37 37 ASN CA C 13 53.143 0.3 . 1 . . . . 37 Asn CA . 16386 1 431 . 1 1 37 37 ASN CB C 13 38.957 0.3 . 1 . . . . 37 Asn CB . 16386 1 432 . 1 1 37 37 ASN N N 15 123.292 0.3 . 1 . . . . 37 Asn N . 16386 1 433 . 1 1 37 37 ASN ND2 N 15 113.400 0.3 . 1 . . . . 37 Asn ND2 . 16386 1 434 . 1 1 38 38 ASP H H 1 8.326 0.025 . 1 . . . . 38 Asp H . 16386 1 435 . 1 1 38 38 ASP HA H 1 4.562 0.025 . 1 . . . . 38 Asp HA . 16386 1 436 . 1 1 38 38 ASP HB2 H 1 2.601 0.025 . 2 . . . . 38 Asp HB2 . 16386 1 437 . 1 1 38 38 ASP HB3 H 1 2.657 0.025 . 2 . . . . 38 Asp HB3 . 16386 1 438 . 1 1 38 38 ASP C C 13 176.188 0.3 . 1 . . . . 38 Asp C . 16386 1 439 . 1 1 38 38 ASP CA C 13 54.218 0.3 . 1 . . . . 38 Asp CA . 16386 1 440 . 1 1 38 38 ASP CB C 13 41.133 0.3 . 1 . . . . 38 Asp CB . 16386 1 441 . 1 1 38 38 ASP N N 15 121.317 0.3 . 1 . . . . 38 Asp N . 16386 1 442 . 1 1 39 39 LEU H H 1 8.188 0.025 . 1 . . . . 39 Leu H . 16386 1 443 . 1 1 39 39 LEU HA H 1 4.242 0.025 . 1 . . . . 39 Leu HA . 16386 1 444 . 1 1 39 39 LEU HB2 H 1 1.566 0.025 . 2 . . . . 39 Leu HB2 . 16386 1 445 . 1 1 39 39 LEU HB3 H 1 1.476 0.025 . 2 . . . . 39 Leu HB3 . 16386 1 446 . 1 1 39 39 LEU HD11 H 1 0.878 0.025 . 2 . . . . 39 Leu HD1 . 16386 1 447 . 1 1 39 39 LEU HD12 H 1 0.878 0.025 . 2 . . . . 39 Leu HD1 . 16386 1 448 . 1 1 39 39 LEU HD13 H 1 0.878 0.025 . 2 . . . . 39 Leu HD1 . 16386 1 449 . 1 1 39 39 LEU HD21 H 1 0.815 0.025 . 2 . . . . 39 Leu HD2 . 16386 1 450 . 1 1 39 39 LEU HD22 H 1 0.815 0.025 . 2 . . . . 39 Leu HD2 . 16386 1 451 . 1 1 39 39 LEU HD23 H 1 0.815 0.025 . 2 . . . . 39 Leu HD2 . 16386 1 452 . 1 1 39 39 LEU HG H 1 1.520 0.025 . 1 . . . . 39 Leu HG . 16386 1 453 . 1 1 39 39 LEU C C 13 177.515 0.3 . 1 . . . . 39 Leu C . 16386 1 454 . 1 1 39 39 LEU CA C 13 55.501 0.3 . 1 . . . . 39 Leu CA . 16386 1 455 . 1 1 39 39 LEU CB C 13 42.030 0.3 . 1 . . . . 39 Leu CB . 16386 1 456 . 1 1 39 39 LEU CD1 C 13 24.931 0.3 . 2 . . . . 39 Leu CD1 . 16386 1 457 . 1 1 39 39 LEU CD2 C 13 23.412 0.3 . 2 . . . . 39 Leu CD2 . 16386 1 458 . 1 1 39 39 LEU CG C 13 26.874 0.3 . 1 . . . . 39 Leu CG . 16386 1 459 . 1 1 39 39 LEU N N 15 122.367 0.3 . 1 . . . . 39 Leu N . 16386 1 460 . 1 1 40 40 HIS H H 1 8.418 0.025 . 1 . . . . 40 His H . 16386 1 461 . 1 1 40 40 HIS HA H 1 4.636 0.025 . 1 . . . . 40 His HA . 16386 1 462 . 1 1 40 40 HIS HB2 H 1 3.247 0.025 . 2 . . . . 40 His HB2 . 16386 1 463 . 1 1 40 40 HIS HB3 H 1 3.137 0.025 . 2 . . . . 40 His HB3 . 16386 1 464 . 1 1 40 40 HIS HD2 H 1 7.123 0.025 . 1 . . . . 40 His HD2 . 16386 1 465 . 1 1 40 40 HIS HE1 H 1 8.074 0.025 . 1 . . . . 40 His HE1 . 16386 1 466 . 1 1 40 40 HIS C C 13 175.495 0.3 . 1 . . . . 40 His C . 16386 1 467 . 1 1 40 40 HIS CA C 13 55.920 0.3 . 1 . . . . 40 His CA . 16386 1 468 . 1 1 40 40 HIS CB C 13 29.633 0.3 . 1 . . . . 40 His CB . 16386 1 469 . 1 1 40 40 HIS CD2 C 13 119.679 0.3 . 1 . . . . 40 His CD2 . 16386 1 470 . 1 1 40 40 HIS CE1 C 13 137.716 0.3 . 1 . . . . 40 His CE1 . 16386 1 471 . 1 1 40 40 HIS N N 15 118.989 0.3 . 1 . . . . 40 His N . 16386 1 472 . 1 1 40 40 HIS ND1 N 15 208.253 0.3 . 1 . . . . 40 His ND1 . 16386 1 473 . 1 1 40 40 HIS NE2 N 15 178.462 0.3 . 1 . . . . 40 His NE2 . 16386 1 474 . 1 1 41 41 GLY H H 1 8.258 0.025 . 1 . . . . 41 Gly H . 16386 1 475 . 1 1 41 41 GLY HA2 H 1 3.969 0.025 . 2 . . . . 41 Gly HA2 . 16386 1 476 . 1 1 41 41 GLY HA3 H 1 3.952 0.025 . 2 . . . . 41 Gly HA3 . 16386 1 477 . 1 1 41 41 GLY C C 13 174.007 0.3 . 1 . . . . 41 Gly C . 16386 1 478 . 1 1 41 41 GLY CA C 13 45.363 0.3 . 1 . . . . 41 Gly CA . 16386 1 479 . 1 1 41 41 GLY N N 15 109.714 0.3 . 1 . . . . 41 Gly N . 16386 1 480 . 1 1 42 42 GLU H H 1 8.406 0.025 . 1 . . . . 42 Glu H . 16386 1 481 . 1 1 42 42 GLU HA H 1 4.378 0.025 . 1 . . . . 42 Glu HA . 16386 1 482 . 1 1 42 42 GLU HB2 H 1 1.933 0.025 . 2 . . . . 42 Glu HB2 . 16386 1 483 . 1 1 42 42 GLU HB3 H 1 2.103 0.025 . 2 . . . . 42 Glu HB3 . 16386 1 484 . 1 1 42 42 GLU HG2 H 1 2.259 0.025 . 2 . . . . 42 Glu HG2 . 16386 1 485 . 1 1 42 42 GLU HG3 H 1 2.259 0.025 . 2 . . . . 42 Glu HG3 . 16386 1 486 . 1 1 42 42 GLU C C 13 176.668 0.3 . 1 . . . . 42 Glu C . 16386 1 487 . 1 1 42 42 GLU CA C 13 56.278 0.3 . 1 . . . . 42 Glu CA . 16386 1 488 . 1 1 42 42 GLU CB C 13 30.473 0.3 . 1 . . . . 42 Glu CB . 16386 1 489 . 1 1 42 42 GLU CG C 13 36.264 0.3 . 1 . . . . 42 Glu CG . 16386 1 490 . 1 1 42 42 GLU N N 15 120.561 0.3 . 1 . . . . 42 Glu N . 16386 1 491 . 1 1 43 43 GLY H H 1 8.284 0.025 . 1 . . . . 43 Gly H . 16386 1 492 . 1 1 43 43 GLY HA2 H 1 4.100 0.025 . 2 . . . . 43 Gly HA2 . 16386 1 493 . 1 1 43 43 GLY HA3 H 1 4.099 0.025 . 2 . . . . 43 Gly HA3 . 16386 1 494 . 1 1 43 43 GLY C C 13 171.027 0.3 . 1 . . . . 43 Gly C . 16386 1 495 . 1 1 43 43 GLY CA C 13 44.399 0.3 . 1 . . . . 43 Gly CA . 16386 1 496 . 1 1 43 43 GLY N N 15 110.014 0.3 . 1 . . . . 43 Gly N . 16386 1 497 . 1 1 47 47 PRO HB2 H 1 2.180 0.025 . 2 . . . . 47 Pro HB2 . 16386 1 498 . 1 1 47 47 PRO C C 13 176.172 0.3 . 1 . . . . 47 Pro C . 16386 1 499 . 1 1 47 47 PRO CB C 13 32.134 0.3 . 1 . . . . 47 Pro CB . 16386 1 500 . 1 1 48 48 VAL H H 1 8.585 0.025 . 1 . . . . 48 Val H . 16386 1 501 . 1 1 48 48 VAL HA H 1 4.438 0.025 . 1 . . . . 48 Val HA . 16386 1 502 . 1 1 48 48 VAL HG11 H 1 0.947 0.025 . 2 . . . . 48 Val HG1 . 16386 1 503 . 1 1 48 48 VAL HG12 H 1 0.947 0.025 . 2 . . . . 48 Val HG1 . 16386 1 504 . 1 1 48 48 VAL HG13 H 1 0.947 0.025 . 2 . . . . 48 Val HG1 . 16386 1 505 . 1 1 48 48 VAL HG21 H 1 0.924 0.025 . 2 . . . . 48 Val HG2 . 16386 1 506 . 1 1 48 48 VAL HG22 H 1 0.924 0.025 . 2 . . . . 48 Val HG2 . 16386 1 507 . 1 1 48 48 VAL HG23 H 1 0.924 0.025 . 2 . . . . 48 Val HG2 . 16386 1 508 . 1 1 48 48 VAL C C 13 174.309 0.3 . 1 . . . . 48 Val C . 16386 1 509 . 1 1 48 48 VAL CA C 13 59.190 0.3 . 1 . . . . 48 Val CA . 16386 1 510 . 1 1 48 48 VAL CG1 C 13 21.106 0.3 . 2 . . . . 48 Val CG1 . 16386 1 511 . 1 1 48 48 VAL CG2 C 13 20.311 0.3 . 2 . . . . 48 Val CG2 . 16386 1 512 . 1 1 48 48 VAL N N 15 125.965 0.3 . 1 . . . . 48 Val N . 16386 1 513 . 1 1 50 50 PRO HA H 1 4.353 0.025 . 1 . . . . 50 Pro HA . 16386 1 514 . 1 1 50 50 PRO HB2 H 1 2.292 0.025 . 2 . . . . 50 Pro HB2 . 16386 1 515 . 1 1 50 50 PRO HB3 H 1 1.930 0.025 . 2 . . . . 50 Pro HB3 . 16386 1 516 . 1 1 50 50 PRO HD2 H 1 3.804 0.025 . 2 . . . . 50 Pro HD2 . 16386 1 517 . 1 1 50 50 PRO HD3 H 1 3.667 0.025 . 2 . . . . 50 Pro HD3 . 16386 1 518 . 1 1 50 50 PRO HG2 H 1 2.023 0.025 . 2 . . . . 50 Pro HG2 . 16386 1 519 . 1 1 50 50 PRO HG3 H 1 2.023 0.025 . 2 . . . . 50 Pro HG3 . 16386 1 520 . 1 1 50 50 PRO C C 13 176.824 0.3 . 1 . . . . 50 Pro C . 16386 1 521 . 1 1 50 50 PRO CA C 13 63.194 0.3 . 1 . . . . 50 Pro CA . 16386 1 522 . 1 1 50 50 PRO CB C 13 32.006 0.3 . 1 . . . . 50 Pro CB . 16386 1 523 . 1 1 50 50 PRO CD C 13 50.820 0.3 . 1 . . . . 50 Pro CD . 16386 1 524 . 1 1 50 50 PRO CG C 13 27.338 0.3 . 1 . . . . 50 Pro CG . 16386 1 525 . 1 1 51 51 ALA H H 1 8.301 0.025 . 1 . . . . 51 Ala H . 16386 1 526 . 1 1 51 51 ALA HA H 1 4.241 0.025 . 1 . . . . 51 Ala HA . 16386 1 527 . 1 1 51 51 ALA HB1 H 1 1.359 0.025 . 1 . . . . 51 Ala HB . 16386 1 528 . 1 1 51 51 ALA HB2 H 1 1.359 0.025 . 1 . . . . 51 Ala HB . 16386 1 529 . 1 1 51 51 ALA HB3 H 1 1.359 0.025 . 1 . . . . 51 Ala HB . 16386 1 530 . 1 1 51 51 ALA C C 13 177.617 0.3 . 1 . . . . 51 Ala C . 16386 1 531 . 1 1 51 51 ALA CA C 13 52.717 0.3 . 1 . . . . 51 Ala CA . 16386 1 532 . 1 1 51 51 ALA CB C 13 19.211 0.3 . 1 . . . . 51 Ala CB . 16386 1 533 . 1 1 51 51 ALA N N 15 122.996 0.3 . 1 . . . . 51 Ala N . 16386 1 534 . 1 1 52 52 GLN H H 1 8.165 0.025 . 1 . . . . 52 Gln H . 16386 1 535 . 1 1 52 52 GLN HA H 1 4.266 0.025 . 1 . . . . 52 Gln HA . 16386 1 536 . 1 1 52 52 GLN HB2 H 1 2.016 0.025 . 2 . . . . 52 Gln HB2 . 16386 1 537 . 1 1 52 52 GLN HB3 H 1 1.897 0.025 . 2 . . . . 52 Gln HB3 . 16386 1 538 . 1 1 52 52 GLN HE21 H 1 7.554 0.025 . 2 . . . . 52 Gln HE21 . 16386 1 539 . 1 1 52 52 GLN HE22 H 1 6.881 0.025 . 2 . . . . 52 Gln HE22 . 16386 1 540 . 1 1 52 52 GLN HG2 H 1 2.295 0.025 . 2 . . . . 52 Gln HG2 . 16386 1 541 . 1 1 52 52 GLN HG3 H 1 2.295 0.025 . 2 . . . . 52 Gln HG3 . 16386 1 542 . 1 1 52 52 GLN C C 13 175.394 0.3 . 1 . . . . 52 Gln C . 16386 1 543 . 1 1 52 52 GLN CA C 13 55.582 0.3 . 1 . . . . 52 Gln CA . 16386 1 544 . 1 1 52 52 GLN CB C 13 29.636 0.3 . 1 . . . . 52 Gln CB . 16386 1 545 . 1 1 52 52 GLN CG C 13 33.867 0.3 . 1 . . . . 52 Gln CG . 16386 1 546 . 1 1 52 52 GLN N N 15 118.178 0.3 . 1 . . . . 52 Gln N . 16386 1 547 . 1 1 52 52 GLN NE2 N 15 112.505 0.3 . 1 . . . . 52 Gln NE2 . 16386 1 548 . 1 1 53 53 HIS H H 1 8.395 0.025 . 1 . . . . 53 His H . 16386 1 549 . 1 1 53 53 HIS HA H 1 4.872 0.025 . 1 . . . . 53 His HA . 16386 1 550 . 1 1 53 53 HIS HB2 H 1 3.141 0.025 . 2 . . . . 53 His HB2 . 16386 1 551 . 1 1 53 53 HIS HB3 H 1 3.036 0.025 . 2 . . . . 53 His HB3 . 16386 1 552 . 1 1 53 53 HIS HD2 H 1 7.126 0.025 . 1 . . . . 53 His HD2 . 16386 1 553 . 1 1 53 53 HIS HE1 H 1 8.167 0.025 . 1 . . . . 53 His HE1 . 16386 1 554 . 1 1 53 53 HIS C C 13 173.260 0.3 . 1 . . . . 53 His C . 16386 1 555 . 1 1 53 53 HIS CA C 13 54.036 0.3 . 1 . . . . 53 His CA . 16386 1 556 . 1 1 53 53 HIS CB C 13 29.841 0.3 . 1 . . . . 53 His CB . 16386 1 557 . 1 1 53 53 HIS CD2 C 13 119.707 0.3 . 1 . . . . 53 His CD2 . 16386 1 558 . 1 1 53 53 HIS CE1 C 13 137.540 0.3 . 1 . . . . 53 His CE1 . 16386 1 559 . 1 1 53 53 HIS N N 15 121.522 0.3 . 1 . . . . 53 His N . 16386 1 560 . 1 1 53 53 HIS ND1 N 15 200.894 0.3 . 1 . . . . 53 His ND1 . 16386 1 561 . 1 1 53 53 HIS NE2 N 15 178.557 0.3 . 1 . . . . 53 His NE2 . 16386 1 562 . 1 1 54 54 PRO HA H 1 4.547 0.025 . 1 . . . . 54 Pro HA . 16386 1 563 . 1 1 54 54 PRO HB2 H 1 2.172 0.025 . 2 . . . . 54 Pro HB2 . 16386 1 564 . 1 1 54 54 PRO HB3 H 1 1.992 0.025 . 2 . . . . 54 Pro HB3 . 16386 1 565 . 1 1 54 54 PRO HD2 H 1 3.897 0.025 . 2 . . . . 54 Pro HD2 . 16386 1 566 . 1 1 54 54 PRO HD3 H 1 3.899 0.025 . 2 . . . . 54 Pro HD3 . 16386 1 567 . 1 1 54 54 PRO HG2 H 1 2.073 0.025 . 2 . . . . 54 Pro HG2 . 16386 1 568 . 1 1 54 54 PRO HG3 H 1 1.897 0.025 . 2 . . . . 54 Pro HG3 . 16386 1 569 . 1 1 54 54 PRO C C 13 176.605 0.3 . 1 . . . . 54 Pro C . 16386 1 570 . 1 1 54 54 PRO CA C 13 62.997 0.3 . 1 . . . . 54 Pro CA . 16386 1 571 . 1 1 54 54 PRO CB C 13 32.349 0.3 . 1 . . . . 54 Pro CB . 16386 1 572 . 1 1 54 54 PRO CD C 13 50.287 0.3 . 1 . . . . 54 Pro CD . 16386 1 573 . 1 1 54 54 PRO CG C 13 26.412 0.3 . 1 . . . . 54 Pro CG . 16386 1 574 . 1 1 55 55 ASN H H 1 8.646 0.025 . 1 . . . . 55 Asn H . 16386 1 575 . 1 1 55 55 ASN HA H 1 4.969 0.025 . 1 . . . . 55 Asn HA . 16386 1 576 . 1 1 55 55 ASN HB2 H 1 3.075 0.025 . 2 . . . . 55 Asn HB2 . 16386 1 577 . 1 1 55 55 ASN HB3 H 1 2.893 0.025 . 2 . . . . 55 Asn HB3 . 16386 1 578 . 1 1 55 55 ASN HD21 H 1 7.519 0.025 . 2 . . . . 55 Asn HD21 . 16386 1 579 . 1 1 55 55 ASN HD22 H 1 7.267 0.025 . 2 . . . . 55 Asn HD22 . 16386 1 580 . 1 1 55 55 ASN C C 13 171.312 0.3 . 1 . . . . 55 Asn C . 16386 1 581 . 1 1 55 55 ASN CA C 13 50.412 0.3 . 1 . . . . 55 Asn CA . 16386 1 582 . 1 1 55 55 ASN CB C 13 39.150 0.3 . 1 . . . . 55 Asn CB . 16386 1 583 . 1 1 55 55 ASN N N 15 119.583 0.3 . 1 . . . . 55 Asn N . 16386 1 584 . 1 1 55 55 ASN ND2 N 15 110.228 0.3 . 1 . . . . 55 Asn ND2 . 16386 1 585 . 1 1 56 56 PRO HA H 1 4.400 0.025 . 1 . . . . 56 Pro HA . 16386 1 586 . 1 1 56 56 PRO HB2 H 1 2.258 0.025 . 2 . . . . 56 Pro HB2 . 16386 1 587 . 1 1 56 56 PRO HB3 H 1 1.926 0.025 . 2 . . . . 56 Pro HB3 . 16386 1 588 . 1 1 56 56 PRO HD2 H 1 3.801 0.025 . 2 . . . . 56 Pro HD2 . 16386 1 589 . 1 1 56 56 PRO HD3 H 1 3.679 0.025 . 2 . . . . 56 Pro HD3 . 16386 1 590 . 1 1 56 56 PRO HG2 H 1 2.030 0.025 . 2 . . . . 56 Pro HG2 . 16386 1 591 . 1 1 56 56 PRO HG3 H 1 2.030 0.025 . 2 . . . . 56 Pro HG3 . 16386 1 592 . 1 1 56 56 PRO C C 13 176.686 0.3 . 1 . . . . 56 Pro C . 16386 1 593 . 1 1 56 56 PRO CA C 13 63.273 0.3 . 1 . . . . 56 Pro CA . 16386 1 594 . 1 1 56 56 PRO CB C 13 31.783 0.3 . 1 . . . . 56 Pro CB . 16386 1 595 . 1 1 56 56 PRO CD C 13 50.480 0.3 . 1 . . . . 56 Pro CD . 16386 1 596 . 1 1 56 56 PRO CG C 13 27.447 0.3 . 1 . . . . 56 Pro CG . 16386 1 597 . 1 1 57 57 CYS H H 1 7.831 0.025 . 1 . . . . 57 Cys H . 16386 1 598 . 1 1 57 57 CYS HA H 1 4.443 0.025 . 1 . . . . 57 Cys HA . 16386 1 599 . 1 1 57 57 CYS HB2 H 1 2.033 0.025 . 2 . . . . 57 Cys HB2 . 16386 1 600 . 1 1 57 57 CYS HB3 H 1 2.034 0.025 . 2 . . . . 57 Cys HB3 . 16386 1 601 . 1 1 57 57 CYS C C 13 173.881 0.3 . 1 . . . . 57 Cys C . 16386 1 602 . 1 1 57 57 CYS CA C 13 59.103 0.3 . 1 . . . . 57 Cys CA . 16386 1 603 . 1 1 57 57 CYS CB C 13 32.909 0.3 . 1 . . . . 57 Cys CB . 16386 1 604 . 1 1 57 57 CYS N N 15 119.502 0.3 . 1 . . . . 57 Cys N . 16386 1 605 . 1 1 59 59 PRO HA H 1 4.385 0.025 . 1 . . . . 59 Pro HA . 16386 1 606 . 1 1 59 59 PRO HB2 H 1 1.904 0.025 . 2 . . . . 59 Pro HB2 . 16386 1 607 . 1 1 59 59 PRO HB3 H 1 2.350 0.025 . 2 . . . . 59 Pro HB3 . 16386 1 608 . 1 1 59 59 PRO HD2 H 1 3.845 0.025 . 2 . . . . 59 Pro HD2 . 16386 1 609 . 1 1 59 59 PRO HD3 H 1 3.587 0.025 . 2 . . . . 59 Pro HD3 . 16386 1 610 . 1 1 59 59 PRO HG2 H 1 2.159 0.025 . 2 . . . . 59 Pro HG2 . 16386 1 611 . 1 1 59 59 PRO HG3 H 1 2.056 0.025 . 2 . . . . 59 Pro HG3 . 16386 1 612 . 1 1 59 59 PRO C C 13 177.996 0.3 . 1 . . . . 59 Pro C . 16386 1 613 . 1 1 59 59 PRO CA C 13 64.249 0.3 . 1 . . . . 59 Pro CA . 16386 1 614 . 1 1 59 59 PRO CB C 13 31.776 0.3 . 1 . . . . 59 Pro CB . 16386 1 615 . 1 1 59 59 PRO CD C 13 50.402 0.3 . 1 . . . . 59 Pro CD . 16386 1 616 . 1 1 59 59 PRO CG C 13 27.782 0.3 . 1 . . . . 59 Pro CG . 16386 1 617 . 1 1 60 60 GLY H H 1 8.761 0.025 . 1 . . . . 60 Gly H . 16386 1 618 . 1 1 60 60 GLY HA2 H 1 4.302 0.025 . 2 . . . . 60 Gly HA2 . 16386 1 619 . 1 1 60 60 GLY HA3 H 1 3.619 0.025 . 2 . . . . 60 Gly HA3 . 16386 1 620 . 1 1 60 60 GLY C C 13 173.861 0.3 . 1 . . . . 60 Gly C . 16386 1 621 . 1 1 60 60 GLY CA C 13 44.888 0.3 . 1 . . . . 60 Gly CA . 16386 1 622 . 1 1 60 60 GLY N N 15 112.485 0.3 . 1 . . . . 60 Gly N . 16386 1 623 . 1 1 61 61 TYR H H 1 8.522 0.025 . 1 . . . . 61 Tyr H . 16386 1 624 . 1 1 61 61 TYR HA H 1 5.083 0.025 . 1 . . . . 61 Tyr HA . 16386 1 625 . 1 1 61 61 TYR HB2 H 1 3.241 0.025 . 2 . . . . 61 Tyr HB2 . 16386 1 626 . 1 1 61 61 TYR HB3 H 1 2.543 0.025 . 2 . . . . 61 Tyr HB3 . 16386 1 627 . 1 1 61 61 TYR HD1 H 1 6.749 0.025 . 3 . . . . 61 Tyr HD1 . 16386 1 628 . 1 1 61 61 TYR HD2 H 1 6.746 0.025 . 3 . . . . 61 Tyr HD2 . 16386 1 629 . 1 1 61 61 TYR HE1 H 1 6.501 0.025 . 3 . . . . 61 Tyr HE1 . 16386 1 630 . 1 1 61 61 TYR HE2 H 1 6.500 0.025 . 3 . . . . 61 Tyr HE2 . 16386 1 631 . 1 1 61 61 TYR C C 13 174.910 0.3 . 1 . . . . 61 Tyr C . 16386 1 632 . 1 1 61 61 TYR CA C 13 56.152 0.3 . 1 . . . . 61 Tyr CA . 16386 1 633 . 1 1 61 61 TYR CB C 13 42.124 0.3 . 1 . . . . 61 Tyr CB . 16386 1 634 . 1 1 61 61 TYR CD1 C 13 132.833 0.3 . 3 . . . . 61 Tyr CD1 . 16386 1 635 . 1 1 61 61 TYR CD2 C 13 132.833 0.3 . 3 . . . . 61 Tyr CD2 . 16386 1 636 . 1 1 61 61 TYR CE1 C 13 118.207 0.3 . 3 . . . . 61 Tyr CE1 . 16386 1 637 . 1 1 61 61 TYR CE2 C 13 118.217 0.3 . 3 . . . . 61 Tyr CE2 . 16386 1 638 . 1 1 61 61 TYR N N 15 118.801 0.3 . 1 . . . . 61 Tyr N . 16386 1 639 . 1 1 62 62 GLU H H 1 9.129 0.025 . 1 . . . . 62 Glu H . 16386 1 640 . 1 1 62 62 GLU HA H 1 4.962 0.025 . 1 . . . . 62 Glu HA . 16386 1 641 . 1 1 62 62 GLU HB2 H 1 2.123 0.025 . 2 . . . . 62 Glu HB2 . 16386 1 642 . 1 1 62 62 GLU HB3 H 1 1.925 0.025 . 2 . . . . 62 Glu HB3 . 16386 1 643 . 1 1 62 62 GLU HG2 H 1 2.247 0.025 . 2 . . . . 62 Glu HG2 . 16386 1 644 . 1 1 62 62 GLU HG3 H 1 2.203 0.025 . 2 . . . . 62 Glu HG3 . 16386 1 645 . 1 1 62 62 GLU C C 13 173.115 0.3 . 1 . . . . 62 Glu C . 16386 1 646 . 1 1 62 62 GLU CA C 13 53.654 0.3 . 1 . . . . 62 Glu CA . 16386 1 647 . 1 1 62 62 GLU CB C 13 31.928 0.3 . 1 . . . . 62 Glu CB . 16386 1 648 . 1 1 62 62 GLU CG C 13 35.415 0.3 . 1 . . . . 62 Glu CG . 16386 1 649 . 1 1 62 62 GLU N N 15 118.016 0.3 . 1 . . . . 62 Glu N . 16386 1 650 . 1 1 63 63 PRO HA H 1 4.743 0.025 . 1 . . . . 63 Pro HA . 16386 1 651 . 1 1 63 63 PRO HB2 H 1 1.967 0.025 . 2 . . . . 63 Pro HB2 . 16386 1 652 . 1 1 63 63 PRO HB3 H 1 2.372 0.025 . 2 . . . . 63 Pro HB3 . 16386 1 653 . 1 1 63 63 PRO HD2 H 1 3.877 0.025 . 2 . . . . 63 Pro HD2 . 16386 1 654 . 1 1 63 63 PRO HD3 H 1 3.759 0.025 . 2 . . . . 63 Pro HD3 . 16386 1 655 . 1 1 63 63 PRO HG2 H 1 2.262 0.025 . 2 . . . . 63 Pro HG2 . 16386 1 656 . 1 1 63 63 PRO HG3 H 1 2.056 0.025 . 2 . . . . 63 Pro HG3 . 16386 1 657 . 1 1 63 63 PRO C C 13 177.040 0.3 . 1 . . . . 63 Pro C . 16386 1 658 . 1 1 63 63 PRO CA C 13 63.759 0.3 . 1 . . . . 63 Pro CA . 16386 1 659 . 1 1 63 63 PRO CB C 13 32.352 0.3 . 1 . . . . 63 Pro CB . 16386 1 660 . 1 1 63 63 PRO CD C 13 50.484 0.3 . 1 . . . . 63 Pro CD . 16386 1 661 . 1 1 63 63 PRO CG C 13 28.159 0.3 . 1 . . . . 63 Pro CG . 16386 1 662 . 1 1 64 64 ASP H H 1 8.595 0.025 . 1 . . . . 64 Asp H . 16386 1 663 . 1 1 64 64 ASP HA H 1 4.679 0.025 . 1 . . . . 64 Asp HA . 16386 1 664 . 1 1 64 64 ASP HB2 H 1 2.503 0.025 . 2 . . . . 64 Asp HB2 . 16386 1 665 . 1 1 64 64 ASP HB3 H 1 2.685 0.025 . 2 . . . . 64 Asp HB3 . 16386 1 666 . 1 1 64 64 ASP C C 13 175.960 0.3 . 1 . . . . 64 Asp C . 16386 1 667 . 1 1 64 64 ASP CA C 13 53.790 0.3 . 1 . . . . 64 Asp CA . 16386 1 668 . 1 1 64 64 ASP CB C 13 42.611 0.3 . 1 . . . . 64 Asp CB . 16386 1 669 . 1 1 64 64 ASP N N 15 122.807 0.3 . 1 . . . . 64 Asp N . 16386 1 670 . 1 1 65 65 ASP H H 1 8.437 0.025 . 1 . . . . 65 Asp H . 16386 1 671 . 1 1 65 65 ASP HA H 1 4.701 0.025 . 1 . . . . 65 Asp HA . 16386 1 672 . 1 1 65 65 ASP HB2 H 1 2.727 0.025 . 2 . . . . 65 Asp HB2 . 16386 1 673 . 1 1 65 65 ASP HB3 H 1 2.705 0.025 . 2 . . . . 65 Asp HB3 . 16386 1 674 . 1 1 65 65 ASP C C 13 176.412 0.3 . 1 . . . . 65 Asp C . 16386 1 675 . 1 1 65 65 ASP CA C 13 54.043 0.3 . 1 . . . . 65 Asp CA . 16386 1 676 . 1 1 65 65 ASP CB C 13 41.279 0.3 . 1 . . . . 65 Asp CB . 16386 1 677 . 1 1 65 65 ASP N N 15 124.473 0.3 . 1 . . . . 65 Asp N . 16386 1 678 . 1 1 66 66 GLN H H 1 8.316 0.025 . 1 . . . . 66 Gln H . 16386 1 679 . 1 1 66 66 GLN HA H 1 4.290 0.025 . 1 . . . . 66 Gln HA . 16386 1 680 . 1 1 66 66 GLN HB2 H 1 2.148 0.025 . 2 . . . . 66 Gln HB2 . 16386 1 681 . 1 1 66 66 GLN HB3 H 1 2.072 0.025 . 2 . . . . 66 Gln HB3 . 16386 1 682 . 1 1 66 66 GLN HE21 H 1 7.774 0.025 . 2 . . . . 66 Gln HE21 . 16386 1 683 . 1 1 66 66 GLN HE22 H 1 6.870 0.025 . 2 . . . . 66 Gln HE22 . 16386 1 684 . 1 1 66 66 GLN HG2 H 1 2.385 0.025 . 2 . . . . 66 Gln HG2 . 16386 1 685 . 1 1 66 66 GLN HG3 H 1 2.338 0.025 . 2 . . . . 66 Gln HG3 . 16386 1 686 . 1 1 66 66 GLN C C 13 175.877 0.3 . 1 . . . . 66 Gln C . 16386 1 687 . 1 1 66 66 GLN CA C 13 55.992 0.3 . 1 . . . . 66 Gln CA . 16386 1 688 . 1 1 66 66 GLN CB C 13 29.565 0.3 . 1 . . . . 66 Gln CB . 16386 1 689 . 1 1 66 66 GLN CG C 13 34.175 0.3 . 1 . . . . 66 Gln CG . 16386 1 690 . 1 1 66 66 GLN N N 15 120.317 0.3 . 1 . . . . 66 Gln N . 16386 1 691 . 1 1 66 66 GLN NE2 N 15 113.680 0.3 . 1 . . . . 66 Gln NE2 . 16386 1 692 . 1 1 67 67 ASP H H 1 8.438 0.025 . 1 . . . . 67 Asp H . 16386 1 693 . 1 1 67 67 ASP HA H 1 4.619 0.025 . 1 . . . . 67 Asp HA . 16386 1 694 . 1 1 67 67 ASP HB2 H 1 2.644 0.025 . 2 . . . . 67 Asp HB2 . 16386 1 695 . 1 1 67 67 ASP HB3 H 1 2.711 0.025 . 2 . . . . 67 Asp HB3 . 16386 1 696 . 1 1 67 67 ASP C C 13 176.300 0.3 . 1 . . . . 67 Asp C . 16386 1 697 . 1 1 67 67 ASP CA C 13 54.535 0.3 . 1 . . . . 67 Asp CA . 16386 1 698 . 1 1 67 67 ASP CB C 13 41.210 0.3 . 1 . . . . 67 Asp CB . 16386 1 699 . 1 1 67 67 ASP N N 15 121.942 0.3 . 1 . . . . 67 Asp N . 16386 1 700 . 1 1 68 68 SER H H 1 8.274 0.025 . 1 . . . . 68 Ser H . 16386 1 701 . 1 1 68 68 SER HA H 1 4.476 0.025 . 1 . . . . 68 Ser HA . 16386 1 702 . 1 1 68 68 SER HB2 H 1 3.869 0.025 . 2 . . . . 68 Ser HB2 . 16386 1 703 . 1 1 68 68 SER HB3 H 1 3.869 0.025 . 2 . . . . 68 Ser HB3 . 16386 1 704 . 1 1 68 68 SER C C 13 174.516 0.3 . 1 . . . . 68 Ser C . 16386 1 705 . 1 1 68 68 SER CA C 13 58.615 0.3 . 1 . . . . 68 Ser CA . 16386 1 706 . 1 1 68 68 SER CB C 13 63.911 0.3 . 1 . . . . 68 Ser CB . 16386 1 707 . 1 1 68 68 SER N N 15 116.099 0.3 . 1 . . . . 68 Ser N . 16386 1 708 . 1 1 69 69 CYS H H 1 8.589 0.025 . 1 . . . . 69 Cys H . 16386 1 709 . 1 1 69 69 CYS HA H 1 4.719 0.025 . 1 . . . . 69 Cys HA . 16386 1 710 . 1 1 69 69 CYS HB2 H 1 3.241 0.025 . 2 . . . . 69 Cys HB2 . 16386 1 711 . 1 1 69 69 CYS HB3 H 1 3.050 0.025 . 2 . . . . 69 Cys HB3 . 16386 1 712 . 1 1 69 69 CYS C C 13 174.437 0.3 . 1 . . . . 69 Cys C . 16386 1 713 . 1 1 69 69 CYS CA C 13 55.620 0.3 . 1 . . . . 69 Cys CA . 16386 1 714 . 1 1 69 69 CYS CB C 13 40.727 0.3 . 1 . . . . 69 Cys CB . 16386 1 715 . 1 1 69 69 CYS N N 15 120.951 0.3 . 1 . . . . 69 Cys N . 16386 1 716 . 1 1 70 70 VAL H H 1 8.150 0.025 . 1 . . . . 70 Val H . 16386 1 717 . 1 1 70 70 VAL HA H 1 4.193 0.025 . 1 . . . . 70 Val HA . 16386 1 718 . 1 1 70 70 VAL HB H 1 2.112 0.025 . 1 . . . . 70 Val HB . 16386 1 719 . 1 1 70 70 VAL HG11 H 1 0.927 0.025 . 2 . . . . 70 Val HG1 . 16386 1 720 . 1 1 70 70 VAL HG12 H 1 0.927 0.025 . 2 . . . . 70 Val HG1 . 16386 1 721 . 1 1 70 70 VAL HG13 H 1 0.927 0.025 . 2 . . . . 70 Val HG1 . 16386 1 722 . 1 1 70 70 VAL HG21 H 1 0.893 0.025 . 2 . . . . 70 Val HG2 . 16386 1 723 . 1 1 70 70 VAL HG22 H 1 0.893 0.025 . 2 . . . . 70 Val HG2 . 16386 1 724 . 1 1 70 70 VAL HG23 H 1 0.893 0.025 . 2 . . . . 70 Val HG2 . 16386 1 725 . 1 1 70 70 VAL C C 13 174.771 0.3 . 1 . . . . 70 Val C . 16386 1 726 . 1 1 70 70 VAL CA C 13 62.021 0.3 . 1 . . . . 70 Val CA . 16386 1 727 . 1 1 70 70 VAL CB C 13 33.168 0.3 . 1 . . . . 70 Val CB . 16386 1 728 . 1 1 70 70 VAL CG1 C 13 21.353 0.3 . 2 . . . . 70 Val CG1 . 16386 1 729 . 1 1 70 70 VAL CG2 C 13 20.144 0.3 . 2 . . . . 70 Val CG2 . 16386 1 730 . 1 1 70 70 VAL N N 15 120.979 0.3 . 1 . . . . 70 Val N . 16386 1 731 . 1 1 71 71 ASP H H 1 7.987 0.025 . 1 . . . . 71 Asp H . 16386 1 732 . 1 1 71 71 ASP HA H 1 4.374 0.025 . 1 . . . . 71 Asp HA . 16386 1 733 . 1 1 71 71 ASP HB2 H 1 2.648 0.025 . 2 . . . . 71 Asp HB2 . 16386 1 734 . 1 1 71 71 ASP HB3 H 1 2.554 0.025 . 2 . . . . 71 Asp HB3 . 16386 1 735 . 1 1 71 71 ASP C C 13 180.821 0.3 . 1 . . . . 71 Asp C . 16386 1 736 . 1 1 71 71 ASP CA C 13 55.983 0.3 . 1 . . . . 71 Asp CA . 16386 1 737 . 1 1 71 71 ASP CB C 13 42.374 0.3 . 1 . . . . 71 Asp CB . 16386 1 738 . 1 1 71 71 ASP N N 15 129.255 0.3 . 1 . . . . 71 Asp N . 16386 1 stop_ save_