################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36320 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36320 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36320 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36320 1 4 '3D HNCACB' 1 $sample_1 isotropic 36320 1 5 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36320 1 6 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36320 1 7 '3D HNCO' 1 $sample_1 isotropic 36320 1 8 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36320 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36320 1 10 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36320 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET H H 1 8.437 0.00 . . . . . . A 1 MET H . 36320 1 2 . 1 . 1 3 3 MET HA H 1 4.600 0.01 . . . . . . A 1 MET HA . 36320 1 3 . 1 . 1 3 3 MET HB2 H 1 2.071 0.00 . . . . . . A 1 MET HB2 . 36320 1 4 . 1 . 1 3 3 MET HB3 H 1 1.970 0.00 . . . . . . A 1 MET HB3 . 36320 1 5 . 1 . 1 3 3 MET HG2 H 1 2.536 0.00 . . . . . . A 1 MET HG2 . 36320 1 6 . 1 . 1 3 3 MET HG3 H 1 2.487 0.00 . . . . . . A 1 MET HG3 . 36320 1 7 . 1 . 1 3 3 MET C C 13 175.365 0.01 . . . . . . A 1 MET C . 36320 1 8 . 1 . 1 3 3 MET CA C 13 55.039 0.07 . . . . . . A 1 MET CA . 36320 1 9 . 1 . 1 3 3 MET CB C 13 33.358 0.08 . . . . . . A 1 MET CB . 36320 1 10 . 1 . 1 3 3 MET CG C 13 31.731 0.08 . . . . . . A 1 MET CG . 36320 1 11 . 1 . 1 3 3 MET N N 15 122.742 0.04 . . . . . . A 1 MET N . 36320 1 12 . 1 . 1 4 4 THR H H 1 8.275 0.01 . . . . . . A 2 THR H . 36320 1 13 . 1 . 1 4 4 THR HA H 1 4.420 0.01 . . . . . . A 2 THR HA . 36320 1 14 . 1 . 1 4 4 THR HB H 1 3.939 0.01 . . . . . . A 2 THR HB . 36320 1 15 . 1 . 1 4 4 THR HG21 H 1 0.812 0.01 . . . . . . A 2 THR HG21 . 36320 1 16 . 1 . 1 4 4 THR HG22 H 1 0.812 0.01 . . . . . . A 2 THR HG22 . 36320 1 17 . 1 . 1 4 4 THR HG23 H 1 0.812 0.01 . . . . . . A 2 THR HG23 . 36320 1 18 . 1 . 1 4 4 THR C C 13 173.918 0.01 . . . . . . A 2 THR C . 36320 1 19 . 1 . 1 4 4 THR CA C 13 63.052 0.08 . . . . . . A 2 THR CA . 36320 1 20 . 1 . 1 4 4 THR CB C 13 69.603 0.12 . . . . . . A 2 THR CB . 36320 1 21 . 1 . 1 4 4 THR CG2 C 13 22.691 0.19 . . . . . . A 2 THR CG2 . 36320 1 22 . 1 . 1 4 4 THR N N 15 120.177 0.05 . . . . . . A 2 THR N . 36320 1 23 . 1 . 1 5 5 THR H H 1 8.510 0.01 . . . . . . A 3 THR H . 36320 1 24 . 1 . 1 5 5 THR HA H 1 4.529 0.01 . . . . . . A 3 THR HA . 36320 1 25 . 1 . 1 5 5 THR HB H 1 4.047 0.01 . . . . . . A 3 THR HB . 36320 1 26 . 1 . 1 5 5 THR HG21 H 1 1.151 0.01 . . . . . . A 3 THR HG21 . 36320 1 27 . 1 . 1 5 5 THR HG22 H 1 1.151 0.01 . . . . . . A 3 THR HG22 . 36320 1 28 . 1 . 1 5 5 THR HG23 H 1 1.151 0.01 . . . . . . A 3 THR HG23 . 36320 1 29 . 1 . 1 5 5 THR C C 13 173.271 0.00 . . . . . . A 3 THR C . 36320 1 30 . 1 . 1 5 5 THR CA C 13 61.578 0.07 . . . . . . A 3 THR CA . 36320 1 31 . 1 . 1 5 5 THR CB C 13 70.592 0.10 . . . . . . A 3 THR CB . 36320 1 32 . 1 . 1 5 5 THR CG2 C 13 21.625 0.03 . . . . . . A 3 THR CG2 . 36320 1 33 . 1 . 1 5 5 THR N N 15 121.260 0.08 . . . . . . A 3 THR N . 36320 1 34 . 1 . 1 6 6 PHE H H 1 9.030 0.01 . . . . . . A 4 PHE H . 36320 1 35 . 1 . 1 6 6 PHE HA H 1 5.136 0.01 . . . . . . A 4 PHE HA . 36320 1 36 . 1 . 1 6 6 PHE HB2 H 1 2.816 0.01 . . . . . . A 4 PHE HB2 . 36320 1 37 . 1 . 1 6 6 PHE HB3 H 1 2.526 0.01 . . . . . . A 4 PHE HB3 . 36320 1 38 . 1 . 1 6 6 PHE HD1 H 1 7.002 0.01 . . . . . . A 4 PHE HD1 . 36320 1 39 . 1 . 1 6 6 PHE HD2 H 1 7.002 0.01 . . . . . . A 4 PHE HD2 . 36320 1 40 . 1 . 1 6 6 PHE HE1 H 1 6.986 0.01 . . . . . . A 4 PHE HE1 . 36320 1 41 . 1 . 1 6 6 PHE HE2 H 1 6.986 0.01 . . . . . . A 4 PHE HE2 . 36320 1 42 . 1 . 1 6 6 PHE HZ H 1 7.016 0.00 . . . . . . A 4 PHE HZ . 36320 1 43 . 1 . 1 6 6 PHE C C 13 175.594 0.00 . . . . . . A 4 PHE C . 36320 1 44 . 1 . 1 6 6 PHE CA C 13 63.453 19.87 . . . . . . A 4 PHE CA . 36320 1 45 . 1 . 1 6 6 PHE CB C 13 42.096 0.05 . . . . . . A 4 PHE CB . 36320 1 46 . 1 . 1 6 6 PHE CD1 C 13 132.166 0.12 . . . . . . A 4 PHE CD1 . 36320 1 47 . 1 . 1 6 6 PHE CE1 C 13 131.352 0.17 . . . . . . A 4 PHE CE1 . 36320 1 48 . 1 . 1 6 6 PHE CZ C 13 129.596 0.03 . . . . . . A 4 PHE CZ . 36320 1 49 . 1 . 1 6 6 PHE N N 15 124.569 0.03 . . . . . . A 4 PHE N . 36320 1 50 . 1 . 1 7 7 THR H H 1 9.011 0.01 . . . . . . A 5 THR H . 36320 1 51 . 1 . 1 7 7 THR HA H 1 4.620 0.01 . . . . . . A 5 THR HA . 36320 1 52 . 1 . 1 7 7 THR HB H 1 3.991 0.01 . . . . . . A 5 THR HB . 36320 1 53 . 1 . 1 7 7 THR HG21 H 1 1.025 0.01 . . . . . . A 5 THR HG21 . 36320 1 54 . 1 . 1 7 7 THR HG22 H 1 1.025 0.01 . . . . . . A 5 THR HG22 . 36320 1 55 . 1 . 1 7 7 THR HG23 H 1 1.025 0.01 . . . . . . A 5 THR HG23 . 36320 1 56 . 1 . 1 7 7 THR C C 13 171.905 0.00 . . . . . . A 5 THR C . 36320 1 57 . 1 . 1 7 7 THR CA C 13 60.390 0.07 . . . . . . A 5 THR CA . 36320 1 58 . 1 . 1 7 7 THR CB C 13 71.589 0.11 . . . . . . A 5 THR CB . 36320 1 59 . 1 . 1 7 7 THR CG2 C 13 20.840 0.07 . . . . . . A 5 THR CG2 . 36320 1 60 . 1 . 1 7 7 THR N N 15 116.314 0.03 . . . . . . A 5 THR N . 36320 1 61 . 1 . 1 8 8 SER H H 1 8.296 0.01 . . . . . . A 6 SER H . 36320 1 62 . 1 . 1 8 8 SER HA H 1 5.690 0.01 . . . . . . A 6 SER HA . 36320 1 63 . 1 . 1 8 8 SER HB2 H 1 3.773 0.00 . . . . . . A 6 SER HB2 . 36320 1 64 . 1 . 1 8 8 SER HB3 H 1 3.755 0.01 . . . . . . A 6 SER HB3 . 36320 1 65 . 1 . 1 8 8 SER C C 13 173.353 0.00 . . . . . . A 6 SER C . 36320 1 66 . 1 . 1 8 8 SER CA C 13 56.753 0.05 . . . . . . A 6 SER CA . 36320 1 67 . 1 . 1 8 8 SER CB C 13 67.499 0.06 . . . . . . A 6 SER CB . 36320 1 68 . 1 . 1 8 8 SER N N 15 114.338 0.07 . . . . . . A 6 SER N . 36320 1 69 . 1 . 1 9 9 ILE H H 1 8.415 0.01 . . . . . . A 7 ILE H . 36320 1 70 . 1 . 1 9 9 ILE HA H 1 4.553 0.01 . . . . . . A 7 ILE HA . 36320 1 71 . 1 . 1 9 9 ILE HB H 1 1.880 0.01 . . . . . . A 7 ILE HB . 36320 1 72 . 1 . 1 9 9 ILE HG12 H 1 1.535 0.01 . . . . . . A 7 ILE HG12 . 36320 1 73 . 1 . 1 9 9 ILE HG13 H 1 1.194 0.01 . . . . . . A 7 ILE HG13 . 36320 1 74 . 1 . 1 9 9 ILE HG21 H 1 0.936 0.04 . . . . . . A 7 ILE HG21 . 36320 1 75 . 1 . 1 9 9 ILE HG22 H 1 0.936 0.04 . . . . . . A 7 ILE HG22 . 36320 1 76 . 1 . 1 9 9 ILE HG23 H 1 0.936 0.04 . . . . . . A 7 ILE HG23 . 36320 1 77 . 1 . 1 9 9 ILE HD11 H 1 0.913 0.01 . . . . . . A 7 ILE HD11 . 36320 1 78 . 1 . 1 9 9 ILE HD12 H 1 0.913 0.01 . . . . . . A 7 ILE HD12 . 36320 1 79 . 1 . 1 9 9 ILE HD13 H 1 0.913 0.01 . . . . . . A 7 ILE HD13 . 36320 1 80 . 1 . 1 9 9 ILE C C 13 174.072 0.01 . . . . . . A 7 ILE C . 36320 1 81 . 1 . 1 9 9 ILE CA C 13 60.156 0.08 . . . . . . A 7 ILE CA . 36320 1 82 . 1 . 1 9 9 ILE CB C 13 43.019 0.05 . . . . . . A 7 ILE CB . 36320 1 83 . 1 . 1 9 9 ILE CG1 C 13 27.825 0.04 . . . . . . A 7 ILE CG1 . 36320 1 84 . 1 . 1 9 9 ILE CG2 C 13 17.860 0.03 . . . . . . A 7 ILE CG2 . 36320 1 85 . 1 . 1 9 9 ILE CD1 C 13 14.086 0.04 . . . . . . A 7 ILE CD1 . 36320 1 86 . 1 . 1 9 9 ILE N N 15 117.805 0.08 . . . . . . A 7 ILE N . 36320 1 87 . 1 . 1 10 10 VAL H H 1 8.566 0.01 . . . . . . A 8 VAL H . 36320 1 88 . 1 . 1 10 10 VAL HA H 1 4.884 0.01 . . . . . . A 8 VAL HA . 36320 1 89 . 1 . 1 10 10 VAL HB H 1 1.969 0.00 . . . . . . A 8 VAL HB . 36320 1 90 . 1 . 1 10 10 VAL HG11 H 1 0.983 0.00 . . . . . . A 8 VAL HG11 . 36320 1 91 . 1 . 1 10 10 VAL HG12 H 1 0.983 0.00 . . . . . . A 8 VAL HG12 . 36320 1 92 . 1 . 1 10 10 VAL HG13 H 1 0.983 0.00 . . . . . . A 8 VAL HG13 . 36320 1 93 . 1 . 1 10 10 VAL HG21 H 1 0.911 0.01 . . . . . . A 8 VAL HG21 . 36320 1 94 . 1 . 1 10 10 VAL HG22 H 1 0.911 0.01 . . . . . . A 8 VAL HG22 . 36320 1 95 . 1 . 1 10 10 VAL HG23 H 1 0.911 0.01 . . . . . . A 8 VAL HG23 . 36320 1 96 . 1 . 1 10 10 VAL C C 13 176.074 0.01 . . . . . . A 8 VAL C . 36320 1 97 . 1 . 1 10 10 VAL CA C 13 62.575 0.07 . . . . . . A 8 VAL CA . 36320 1 98 . 1 . 1 10 10 VAL CB C 13 32.301 0.06 . . . . . . A 8 VAL CB . 36320 1 99 . 1 . 1 10 10 VAL CG1 C 13 22.720 0.05 . . . . . . A 8 VAL CG1 . 36320 1 100 . 1 . 1 10 10 VAL CG2 C 13 21.428 0.05 . . . . . . A 8 VAL CG2 . 36320 1 101 . 1 . 1 10 10 VAL N N 15 126.663 0.04 . . . . . . A 8 VAL N . 36320 1 102 . 1 . 1 11 11 THR H H 1 9.511 0.00 . . . . . . A 9 THR H . 36320 1 103 . 1 . 1 11 11 THR HA H 1 5.206 0.01 . . . . . . A 9 THR HA . 36320 1 104 . 1 . 1 11 11 THR HB H 1 4.104 0.01 . . . . . . A 9 THR HB . 36320 1 105 . 1 . 1 11 11 THR HG21 H 1 1.106 0.01 . . . . . . A 9 THR HG21 . 36320 1 106 . 1 . 1 11 11 THR HG22 H 1 1.106 0.01 . . . . . . A 9 THR HG22 . 36320 1 107 . 1 . 1 11 11 THR HG23 H 1 1.106 0.01 . . . . . . A 9 THR HG23 . 36320 1 108 . 1 . 1 11 11 THR C C 13 172.549 0.01 . . . . . . A 9 THR C . 36320 1 109 . 1 . 1 11 11 THR CA C 13 58.735 0.06 . . . . . . A 9 THR CA . 36320 1 110 . 1 . 1 11 11 THR CB C 13 70.620 0.14 . . . . . . A 9 THR CB . 36320 1 111 . 1 . 1 11 11 THR CG2 C 13 19.877 0.05 . . . . . . A 9 THR CG2 . 36320 1 112 . 1 . 1 11 11 THR N N 15 122.265 0.05 . . . . . . A 9 THR N . 36320 1 113 . 1 . 1 12 12 THR H H 1 8.439 0.01 . . . . . . A 10 THR H . 36320 1 114 . 1 . 1 12 12 THR HA H 1 5.284 0.01 . . . . . . A 10 THR HA . 36320 1 115 . 1 . 1 12 12 THR HB H 1 4.762 0.01 . . . . . . A 10 THR HB . 36320 1 116 . 1 . 1 12 12 THR HG21 H 1 1.345 0.01 . . . . . . A 10 THR HG21 . 36320 1 117 . 1 . 1 12 12 THR HG22 H 1 1.345 0.01 . . . . . . A 10 THR HG22 . 36320 1 118 . 1 . 1 12 12 THR HG23 H 1 1.345 0.01 . . . . . . A 10 THR HG23 . 36320 1 119 . 1 . 1 12 12 THR C C 13 174.173 0.01 . . . . . . A 10 THR C . 36320 1 120 . 1 . 1 12 12 THR CA C 13 60.916 0.06 . . . . . . A 10 THR CA . 36320 1 121 . 1 . 1 12 12 THR CB C 13 69.668 0.07 . . . . . . A 10 THR CB . 36320 1 122 . 1 . 1 12 12 THR CG2 C 13 21.787 0.05 . . . . . . A 10 THR CG2 . 36320 1 123 . 1 . 1 12 12 THR N N 15 115.537 0.06 . . . . . . A 10 THR N . 36320 1 124 . 1 . 1 13 13 ASN H H 1 8.809 0.01 . . . . . . A 11 ASN H . 36320 1 125 . 1 . 1 13 13 ASN HA H 1 5.031 0.01 . . . . . . A 11 ASN HA . 36320 1 126 . 1 . 1 13 13 ASN HB2 H 1 2.648 0.01 . . . . . . A 11 ASN HB2 . 36320 1 127 . 1 . 1 13 13 ASN HB3 H 1 2.403 0.01 . . . . . . A 11 ASN HB3 . 36320 1 128 . 1 . 1 13 13 ASN HD21 H 1 7.485 0.01 . . . . . . A 11 ASN HD21 . 36320 1 129 . 1 . 1 13 13 ASN HD22 H 1 6.721 0.01 . . . . . . A 11 ASN HD22 . 36320 1 130 . 1 . 1 13 13 ASN C C 13 170.905 0.00 . . . . . . A 11 ASN C . 36320 1 131 . 1 . 1 13 13 ASN CA C 13 51.108 0.12 . . . . . . A 11 ASN CA . 36320 1 132 . 1 . 1 13 13 ASN CB C 13 39.619 0.08 . . . . . . A 11 ASN CB . 36320 1 133 . 1 . 1 13 13 ASN N N 15 120.700 0.07 . . . . . . A 11 ASN N . 36320 1 134 . 1 . 1 13 13 ASN ND2 N 15 112.646 0.02 . . . . . . A 11 ASN ND2 . 36320 1 135 . 1 . 1 14 14 PRO HA H 1 3.277 0.01 . . . . . . A 12 PRO HA . 36320 1 136 . 1 . 1 14 14 PRO HB2 H 1 -0.432 0.01 . . . . . . A 12 PRO HB2 . 36320 1 137 . 1 . 1 14 14 PRO HB3 H 1 -0.785 0.01 . . . . . . A 12 PRO HB3 . 36320 1 138 . 1 . 1 14 14 PRO HG2 H 1 0.241 0.00 . . . . . . A 12 PRO HG2 . 36320 1 139 . 1 . 1 14 14 PRO HG3 H 1 -0.732 0.01 . . . . . . A 12 PRO HG3 . 36320 1 140 . 1 . 1 14 14 PRO HD2 H 1 2.918 0.01 . . . . . . A 12 PRO HD2 . 36320 1 141 . 1 . 1 14 14 PRO HD3 H 1 2.438 0.00 . . . . . . A 12 PRO HD3 . 36320 1 142 . 1 . 1 14 14 PRO C C 13 174.190 0.01 . . . . . . A 12 PRO C . 36320 1 143 . 1 . 1 14 14 PRO CA C 13 62.735 0.04 . . . . . . A 12 PRO CA . 36320 1 144 . 1 . 1 14 14 PRO CB C 13 30.073 0.07 . . . . . . A 12 PRO CB . 36320 1 145 . 1 . 1 14 14 PRO CG C 13 26.115 0.06 . . . . . . A 12 PRO CG . 36320 1 146 . 1 . 1 14 14 PRO CD C 13 50.162 0.07 . . . . . . A 12 PRO CD . 36320 1 147 . 1 . 1 15 15 ASP H H 1 7.547 0.01 . . . . . . A 13 ASP H . 36320 1 148 . 1 . 1 15 15 ASP HA H 1 4.521 0.01 . . . . . . A 13 ASP HA . 36320 1 149 . 1 . 1 15 15 ASP HB2 H 1 2.786 0.01 . . . . . . A 13 ASP HB2 . 36320 1 150 . 1 . 1 15 15 ASP HB3 H 1 2.436 0.01 . . . . . . A 13 ASP HB3 . 36320 1 151 . 1 . 1 15 15 ASP C C 13 176.202 0.01 . . . . . . A 13 ASP C . 36320 1 152 . 1 . 1 15 15 ASP CA C 13 51.890 0.08 . . . . . . A 13 ASP CA . 36320 1 153 . 1 . 1 15 15 ASP CB C 13 40.875 0.03 . . . . . . A 13 ASP CB . 36320 1 154 . 1 . 1 15 15 ASP N N 15 118.141 0.07 . . . . . . A 13 ASP N . 36320 1 155 . 1 . 1 16 16 PHE H H 1 8.260 0.01 . . . . . . A 14 PHE H . 36320 1 156 . 1 . 1 16 16 PHE HA H 1 4.696 0.00 . . . . . . A 14 PHE HA . 36320 1 157 . 1 . 1 16 16 PHE HB2 H 1 3.383 0.01 . . . . . . A 14 PHE HB2 . 36320 1 158 . 1 . 1 16 16 PHE HB3 H 1 2.626 0.01 . . . . . . A 14 PHE HB3 . 36320 1 159 . 1 . 1 16 16 PHE HD1 H 1 7.084 0.01 . . . . . . A 14 PHE HD1 . 36320 1 160 . 1 . 1 16 16 PHE HD2 H 1 7.084 0.01 . . . . . . A 14 PHE HD2 . 36320 1 161 . 1 . 1 16 16 PHE HE1 H 1 6.673 0.01 . . . . . . A 14 PHE HE1 . 36320 1 162 . 1 . 1 16 16 PHE HE2 H 1 6.673 0.01 . . . . . . A 14 PHE HE2 . 36320 1 163 . 1 . 1 16 16 PHE C C 13 176.684 0.01 . . . . . . A 14 PHE C . 36320 1 164 . 1 . 1 16 16 PHE CA C 13 58.519 0.07 . . . . . . A 14 PHE CA . 36320 1 165 . 1 . 1 16 16 PHE CB C 13 37.990 0.03 . . . . . . A 14 PHE CB . 36320 1 166 . 1 . 1 16 16 PHE CD1 C 13 130.769 0.15 . . . . . . A 14 PHE CD1 . 36320 1 167 . 1 . 1 16 16 PHE CE1 C 13 130.861 0.10 . . . . . . A 14 PHE CE1 . 36320 1 168 . 1 . 1 16 16 PHE N N 15 123.698 0.03 . . . . . . A 14 PHE N . 36320 1 169 . 1 . 1 17 17 GLY H H 1 8.628 0.01 . . . . . . A 15 GLY H . 36320 1 170 . 1 . 1 17 17 GLY HA2 H 1 4.153 0.01 . . . . . . A 15 GLY HA2 . 36320 1 171 . 1 . 1 17 17 GLY HA3 H 1 3.800 0.01 . . . . . . A 15 GLY HA3 . 36320 1 172 . 1 . 1 17 17 GLY C C 13 174.468 0.00 . . . . . . A 15 GLY C . 36320 1 173 . 1 . 1 17 17 GLY CA C 13 45.674 0.04 . . . . . . A 15 GLY CA . 36320 1 174 . 1 . 1 17 17 GLY N N 15 107.824 0.05 . . . . . . A 15 GLY N . 36320 1 175 . 1 . 1 18 18 GLY H H 1 7.545 0.01 . . . . . . A 16 GLY H . 36320 1 176 . 1 . 1 18 18 GLY HA2 H 1 4.161 0.01 . . . . . . A 16 GLY HA2 . 36320 1 177 . 1 . 1 18 18 GLY HA3 H 1 3.726 0.01 . . . . . . A 16 GLY HA3 . 36320 1 178 . 1 . 1 18 18 GLY C C 13 174.384 0.00 . . . . . . A 16 GLY C . 36320 1 179 . 1 . 1 18 18 GLY CA C 13 44.884 0.10 . . . . . . A 16 GLY CA . 36320 1 180 . 1 . 1 18 18 GLY N N 15 109.274 0.02 . . . . . . A 16 GLY N . 36320 1 181 . 1 . 1 19 19 PHE H H 1 8.591 0.01 . . . . . . A 17 PHE H . 36320 1 182 . 1 . 1 19 19 PHE HA H 1 4.885 0.01 . . . . . . A 17 PHE HA . 36320 1 183 . 1 . 1 19 19 PHE HB2 H 1 3.476 0.01 . . . . . . A 17 PHE HB2 . 36320 1 184 . 1 . 1 19 19 PHE HB3 H 1 2.981 0.01 . . . . . . A 17 PHE HB3 . 36320 1 185 . 1 . 1 19 19 PHE HD1 H 1 7.316 0.01 . . . . . . A 17 PHE HD1 . 36320 1 186 . 1 . 1 19 19 PHE HD2 H 1 7.316 0.01 . . . . . . A 17 PHE HD2 . 36320 1 187 . 1 . 1 19 19 PHE C C 13 176.839 0.01 . . . . . . A 17 PHE C . 36320 1 188 . 1 . 1 19 19 PHE CA C 13 57.263 0.03 . . . . . . A 17 PHE CA . 36320 1 189 . 1 . 1 19 19 PHE CB C 13 39.287 0.06 . . . . . . A 17 PHE CB . 36320 1 190 . 1 . 1 19 19 PHE CD1 C 13 131.802 0.08 . . . . . . A 17 PHE CD1 . 36320 1 191 . 1 . 1 19 19 PHE N N 15 120.554 0.03 . . . . . . A 17 PHE N . 36320 1 192 . 1 . 1 20 20 GLU H H 1 8.469 0.01 . . . . . . A 18 GLU H . 36320 1 193 . 1 . 1 20 20 GLU HA H 1 4.269 0.01 . . . . . . A 18 GLU HA . 36320 1 194 . 1 . 1 20 20 GLU HB2 H 1 1.993 0.01 . . . . . . A 18 GLU HB2 . 36320 1 195 . 1 . 1 20 20 GLU HB3 H 1 1.421 0.01 . . . . . . A 18 GLU HB3 . 36320 1 196 . 1 . 1 20 20 GLU HG2 H 1 2.238 0.01 . . . . . . A 18 GLU HG2 . 36320 1 197 . 1 . 1 20 20 GLU HG3 H 1 2.355 0.00 . . . . . . A 18 GLU HG3 . 36320 1 198 . 1 . 1 20 20 GLU C C 13 174.446 0.00 . . . . . . A 18 GLU C . 36320 1 199 . 1 . 1 20 20 GLU CA C 13 56.578 0.09 . . . . . . A 18 GLU CA . 36320 1 200 . 1 . 1 20 20 GLU CB C 13 31.675 0.03 . . . . . . A 18 GLU CB . 36320 1 201 . 1 . 1 20 20 GLU CG C 13 36.540 0.09 . . . . . . A 18 GLU CG . 36320 1 202 . 1 . 1 20 20 GLU N N 15 122.033 0.03 . . . . . . A 18 GLU N . 36320 1 203 . 1 . 1 21 21 PHE H H 1 8.976 0.00 . . . . . . A 19 PHE H . 36320 1 204 . 1 . 1 21 21 PHE HA H 1 4.612 0.01 . . . . . . A 19 PHE HA . 36320 1 205 . 1 . 1 21 21 PHE HB2 H 1 3.784 0.01 . . . . . . A 19 PHE HB2 . 36320 1 206 . 1 . 1 21 21 PHE HB3 H 1 3.528 0.01 . . . . . . A 19 PHE HB3 . 36320 1 207 . 1 . 1 21 21 PHE HD1 H 1 7.376 0.01 . . . . . . A 19 PHE HD1 . 36320 1 208 . 1 . 1 21 21 PHE HD2 H 1 7.376 0.01 . . . . . . A 19 PHE HD2 . 36320 1 209 . 1 . 1 21 21 PHE HZ H 1 7.441 0.01 . . . . . . A 19 PHE HZ . 36320 1 210 . 1 . 1 21 21 PHE C C 13 175.101 0.01 . . . . . . A 19 PHE C . 36320 1 211 . 1 . 1 21 21 PHE CA C 13 58.114 0.11 . . . . . . A 19 PHE CA . 36320 1 212 . 1 . 1 21 21 PHE CB C 13 41.181 0.06 . . . . . . A 19 PHE CB . 36320 1 213 . 1 . 1 21 21 PHE CD1 C 13 132.333 0.09 . . . . . . A 19 PHE CD1 . 36320 1 214 . 1 . 1 21 21 PHE CZ C 13 130.156 0.05 . . . . . . A 19 PHE CZ . 36320 1 215 . 1 . 1 21 21 PHE N N 15 124.308 0.08 . . . . . . A 19 PHE N . 36320 1 216 . 1 . 1 22 22 TYR H H 1 8.336 0.01 . . . . . . A 20 TYR H . 36320 1 217 . 1 . 1 22 22 TYR HA H 1 6.006 0.01 . . . . . . A 20 TYR HA . 36320 1 218 . 1 . 1 22 22 TYR HB2 H 1 3.077 0.01 . . . . . . A 20 TYR HB2 . 36320 1 219 . 1 . 1 22 22 TYR HB3 H 1 2.835 0.00 . . . . . . A 20 TYR HB3 . 36320 1 220 . 1 . 1 22 22 TYR HD1 H 1 6.798 0.01 . . . . . . A 20 TYR HD1 . 36320 1 221 . 1 . 1 22 22 TYR HD2 H 1 6.798 0.01 . . . . . . A 20 TYR HD2 . 36320 1 222 . 1 . 1 22 22 TYR HE1 H 1 6.523 0.01 . . . . . . A 20 TYR HE1 . 36320 1 223 . 1 . 1 22 22 TYR HE2 H 1 6.523 0.01 . . . . . . A 20 TYR HE2 . 36320 1 224 . 1 . 1 22 22 TYR C C 13 175.190 0.00 . . . . . . A 20 TYR C . 36320 1 225 . 1 . 1 22 22 TYR CA C 13 56.234 0.05 . . . . . . A 20 TYR CA . 36320 1 226 . 1 . 1 22 22 TYR CB C 13 43.472 0.06 . . . . . . A 20 TYR CB . 36320 1 227 . 1 . 1 22 22 TYR CD1 C 13 133.053 0.03 . . . . . . A 20 TYR CD1 . 36320 1 228 . 1 . 1 22 22 TYR CE1 C 13 119.030 0.09 . . . . . . A 20 TYR CE1 . 36320 1 229 . 1 . 1 22 22 TYR N N 15 125.202 0.07 . . . . . . A 20 TYR N . 36320 1 230 . 1 . 1 23 23 VAL H H 1 9.603 0.01 . . . . . . A 21 VAL H . 36320 1 231 . 1 . 1 23 23 VAL HA H 1 4.331 0.00 . . . . . . A 21 VAL HA . 36320 1 232 . 1 . 1 23 23 VAL HB H 1 2.229 0.00 . . . . . . A 21 VAL HB . 36320 1 233 . 1 . 1 23 23 VAL HG11 H 1 1.436 0.01 . . . . . . A 21 VAL HG11 . 36320 1 234 . 1 . 1 23 23 VAL HG12 H 1 1.436 0.01 . . . . . . A 21 VAL HG12 . 36320 1 235 . 1 . 1 23 23 VAL HG13 H 1 1.436 0.01 . . . . . . A 21 VAL HG13 . 36320 1 236 . 1 . 1 23 23 VAL HG21 H 1 0.960 0.01 . . . . . . A 21 VAL HG21 . 36320 1 237 . 1 . 1 23 23 VAL HG22 H 1 0.960 0.01 . . . . . . A 21 VAL HG22 . 36320 1 238 . 1 . 1 23 23 VAL HG23 H 1 0.960 0.01 . . . . . . A 21 VAL HG23 . 36320 1 239 . 1 . 1 23 23 VAL C C 13 174.996 0.01 . . . . . . A 21 VAL C . 36320 1 240 . 1 . 1 23 23 VAL CA C 13 61.553 0.04 . . . . . . A 21 VAL CA . 36320 1 241 . 1 . 1 23 23 VAL CB C 13 34.066 0.06 . . . . . . A 21 VAL CB . 36320 1 242 . 1 . 1 23 23 VAL CG1 C 13 21.980 0.14 . . . . . . A 21 VAL CG1 . 36320 1 243 . 1 . 1 23 23 VAL N N 15 123.326 0.02 . . . . . . A 21 VAL N . 36320 1 244 . 1 . 1 24 24 GLU H H 1 8.673 0.01 . . . . . . A 22 GLU H . 36320 1 245 . 1 . 1 24 24 GLU HA H 1 3.610 0.01 . . . . . . A 22 GLU HA . 36320 1 246 . 1 . 1 24 24 GLU HB2 H 1 1.769 0.01 . . . . . . A 22 GLU HB2 . 36320 1 247 . 1 . 1 24 24 GLU HB3 H 1 1.587 0.01 . . . . . . A 22 GLU HB3 . 36320 1 248 . 1 . 1 24 24 GLU HG2 H 1 2.276 0.01 . . . . . . A 22 GLU HG2 . 36320 1 249 . 1 . 1 24 24 GLU HG3 H 1 2.276 0.01 . . . . . . A 22 GLU HG3 . 36320 1 250 . 1 . 1 24 24 GLU C C 13 174.416 0.00 . . . . . . A 22 GLU C . 36320 1 251 . 1 . 1 24 24 GLU CA C 13 55.832 0.05 . . . . . . A 22 GLU CA . 36320 1 252 . 1 . 1 24 24 GLU CB C 13 31.003 0.08 . . . . . . A 22 GLU CB . 36320 1 253 . 1 . 1 24 24 GLU CG C 13 35.896 0.04 . . . . . . A 22 GLU CG . 36320 1 254 . 1 . 1 24 24 GLU N N 15 128.777 0.07 . . . . . . A 22 GLU N . 36320 1 255 . 1 . 1 25 25 ALA H H 1 7.149 0.00 . . . . . . A 23 ALA H . 36320 1 256 . 1 . 1 25 25 ALA HA H 1 3.946 0.01 . . . . . . A 23 ALA HA . 36320 1 257 . 1 . 1 25 25 ALA HB1 H 1 1.129 0.01 . . . . . . A 23 ALA HB1 . 36320 1 258 . 1 . 1 25 25 ALA HB2 H 1 1.129 0.01 . . . . . . A 23 ALA HB2 . 36320 1 259 . 1 . 1 25 25 ALA HB3 H 1 1.129 0.01 . . . . . . A 23 ALA HB3 . 36320 1 260 . 1 . 1 25 25 ALA C C 13 178.510 0.01 . . . . . . A 23 ALA C . 36320 1 261 . 1 . 1 25 25 ALA CA C 13 54.391 0.04 . . . . . . A 23 ALA CA . 36320 1 262 . 1 . 1 25 25 ALA CB C 13 18.327 0.04 . . . . . . A 23 ALA CB . 36320 1 263 . 1 . 1 25 25 ALA N N 15 123.900 0.08 . . . . . . A 23 ALA N . 36320 1 264 . 1 . 1 26 26 GLY H H 1 8.537 0.01 . . . . . . A 24 GLY H . 36320 1 265 . 1 . 1 26 26 GLY HA2 H 1 4.195 0.01 . . . . . . A 24 GLY HA2 . 36320 1 266 . 1 . 1 26 26 GLY HA3 H 1 3.584 0.01 . . . . . . A 24 GLY HA3 . 36320 1 267 . 1 . 1 26 26 GLY C C 13 174.007 0.02 . . . . . . A 24 GLY C . 36320 1 268 . 1 . 1 26 26 GLY CA C 13 45.251 0.07 . . . . . . A 24 GLY CA . 36320 1 269 . 1 . 1 26 26 GLY N N 15 111.247 0.06 . . . . . . A 24 GLY N . 36320 1 270 . 1 . 1 27 27 GLN H H 1 8.124 0.01 . . . . . . A 25 GLN H . 36320 1 271 . 1 . 1 27 27 GLN HA H 1 4.583 0.01 . . . . . . A 25 GLN HA . 36320 1 272 . 1 . 1 27 27 GLN HB2 H 1 2.413 0.01 . . . . . . A 25 GLN HB2 . 36320 1 273 . 1 . 1 27 27 GLN HB3 H 1 2.190 0.01 . . . . . . A 25 GLN HB3 . 36320 1 274 . 1 . 1 27 27 GLN HG2 H 1 2.261 0.01 . . . . . . A 25 GLN HG2 . 36320 1 275 . 1 . 1 27 27 GLN HG3 H 1 2.261 0.01 . . . . . . A 25 GLN HG3 . 36320 1 276 . 1 . 1 27 27 GLN HE21 H 1 7.622 0.01 . . . . . . A 25 GLN HE21 . 36320 1 277 . 1 . 1 27 27 GLN HE22 H 1 6.805 0.00 . . . . . . A 25 GLN HE22 . 36320 1 278 . 1 . 1 27 27 GLN C C 13 174.796 0.00 . . . . . . A 25 GLN C . 36320 1 279 . 1 . 1 27 27 GLN CA C 13 53.710 0.10 . . . . . . A 25 GLN CA . 36320 1 280 . 1 . 1 27 27 GLN CB C 13 29.814 0.05 . . . . . . A 25 GLN CB . 36320 1 281 . 1 . 1 27 27 GLN CG C 13 33.638 0.04 . . . . . . A 25 GLN CG . 36320 1 282 . 1 . 1 27 27 GLN N N 15 119.529 0.09 . . . . . . A 25 GLN N . 36320 1 283 . 1 . 1 27 27 GLN NE2 N 15 113.936 0.03 . . . . . . A 25 GLN NE2 . 36320 1 284 . 1 . 1 28 28 GLN H H 1 8.151 0.01 . . . . . . A 26 GLN H . 36320 1 285 . 1 . 1 28 28 GLN HA H 1 4.544 0.01 . . . . . . A 26 GLN HA . 36320 1 286 . 1 . 1 28 28 GLN HB2 H 1 2.179 0.01 . . . . . . A 26 GLN HB2 . 36320 1 287 . 1 . 1 28 28 GLN HB3 H 1 1.888 0.00 . . . . . . A 26 GLN HB3 . 36320 1 288 . 1 . 1 28 28 GLN HG2 H 1 2.342 0.01 . . . . . . A 26 GLN HG2 . 36320 1 289 . 1 . 1 28 28 GLN HG3 H 1 2.288 0.01 . . . . . . A 26 GLN HG3 . 36320 1 290 . 1 . 1 28 28 GLN HE21 H 1 7.481 0.00 . . . . . . A 26 GLN HE21 . 36320 1 291 . 1 . 1 28 28 GLN HE22 H 1 6.777 0.00 . . . . . . A 26 GLN HE22 . 36320 1 292 . 1 . 1 28 28 GLN C C 13 176.263 0.01 . . . . . . A 26 GLN C . 36320 1 293 . 1 . 1 28 28 GLN CA C 13 54.599 0.05 . . . . . . A 26 GLN CA . 36320 1 294 . 1 . 1 28 28 GLN CB C 13 30.646 0.06 . . . . . . A 26 GLN CB . 36320 1 295 . 1 . 1 28 28 GLN CG C 13 34.723 0.08 . . . . . . A 26 GLN CG . 36320 1 296 . 1 . 1 28 28 GLN N N 15 116.159 0.04 . . . . . . A 26 GLN N . 36320 1 297 . 1 . 1 28 28 GLN NE2 N 15 111.985 0.03 . . . . . . A 26 GLN NE2 . 36320 1 298 . 1 . 1 29 29 PHE H H 1 9.489 0.01 . . . . . . A 27 PHE H . 36320 1 299 . 1 . 1 29 29 PHE HA H 1 4.596 0.00 . . . . . . A 27 PHE HA . 36320 1 300 . 1 . 1 29 29 PHE HB2 H 1 3.130 0.01 . . . . . . A 27 PHE HB2 . 36320 1 301 . 1 . 1 29 29 PHE HB3 H 1 2.711 0.00 . . . . . . A 27 PHE HB3 . 36320 1 302 . 1 . 1 29 29 PHE HD1 H 1 7.193 0.01 . . . . . . A 27 PHE HD1 . 36320 1 303 . 1 . 1 29 29 PHE HD2 H 1 7.193 0.01 . . . . . . A 27 PHE HD2 . 36320 1 304 . 1 . 1 29 29 PHE HE1 H 1 6.795 0.01 . . . . . . A 27 PHE HE1 . 36320 1 305 . 1 . 1 29 29 PHE HE2 H 1 6.795 0.01 . . . . . . A 27 PHE HE2 . 36320 1 306 . 1 . 1 29 29 PHE HZ H 1 6.171 0.01 . . . . . . A 27 PHE HZ . 36320 1 307 . 1 . 1 29 29 PHE C C 13 173.375 0.00 . . . . . . A 27 PHE C . 36320 1 308 . 1 . 1 29 29 PHE CA C 13 57.494 0.06 . . . . . . A 27 PHE CA . 36320 1 309 . 1 . 1 29 29 PHE CB C 13 39.142 0.04 . . . . . . A 27 PHE CB . 36320 1 310 . 1 . 1 29 29 PHE CD1 C 13 131.341 0.14 . . . . . . A 27 PHE CD1 . 36320 1 311 . 1 . 1 29 29 PHE CE1 C 13 130.849 0.20 . . . . . . A 27 PHE CE1 . 36320 1 312 . 1 . 1 29 29 PHE CZ C 13 128.418 0.05 . . . . . . A 27 PHE CZ . 36320 1 313 . 1 . 1 29 29 PHE N N 15 121.875 0.03 . . . . . . A 27 PHE N . 36320 1 314 . 1 . 1 30 30 ASP H H 1 8.693 0.00 . . . . . . A 28 ASP H . 36320 1 315 . 1 . 1 30 30 ASP HA H 1 4.723 0.01 . . . . . . A 28 ASP HA . 36320 1 316 . 1 . 1 30 30 ASP HB2 H 1 3.208 0.01 . . . . . . A 28 ASP HB2 . 36320 1 317 . 1 . 1 30 30 ASP HB3 H 1 2.620 0.01 . . . . . . A 28 ASP HB3 . 36320 1 318 . 1 . 1 30 30 ASP C C 13 174.515 0.00 . . . . . . A 28 ASP C . 36320 1 319 . 1 . 1 30 30 ASP CA C 13 52.413 0.04 . . . . . . A 28 ASP CA . 36320 1 320 . 1 . 1 30 30 ASP CB C 13 40.101 0.06 . . . . . . A 28 ASP CB . 36320 1 321 . 1 . 1 30 30 ASP N N 15 130.119 0.06 . . . . . . A 28 ASP N . 36320 1 322 . 1 . 1 31 31 ASP H H 1 8.700 0.00 . . . . . . A 29 ASP H . 36320 1 323 . 1 . 1 31 31 ASP HA H 1 3.623 0.01 . . . . . . A 29 ASP HA . 36320 1 324 . 1 . 1 31 31 ASP HB2 H 1 2.515 0.01 . . . . . . A 29 ASP HB2 . 36320 1 325 . 1 . 1 31 31 ASP HB3 H 1 2.323 0.01 . . . . . . A 29 ASP HB3 . 36320 1 326 . 1 . 1 31 31 ASP C C 13 177.744 0.01 . . . . . . A 29 ASP C . 36320 1 327 . 1 . 1 31 31 ASP CA C 13 56.157 0.05 . . . . . . A 29 ASP CA . 36320 1 328 . 1 . 1 31 31 ASP CB C 13 39.929 0.09 . . . . . . A 29 ASP CB . 36320 1 329 . 1 . 1 31 31 ASP N N 15 122.357 0.02 . . . . . . A 29 ASP N . 36320 1 330 . 1 . 1 32 32 SER H H 1 8.012 0.01 . . . . . . A 30 SER H . 36320 1 331 . 1 . 1 32 32 SER HA H 1 4.374 0.01 . . . . . . A 30 SER HA . 36320 1 332 . 1 . 1 32 32 SER HB2 H 1 3.999 0.00 . . . . . . A 30 SER HB2 . 36320 1 333 . 1 . 1 32 32 SER HB3 H 1 3.966 0.00 . . . . . . A 30 SER HB3 . 36320 1 334 . 1 . 1 32 32 SER C C 13 176.882 0.00 . . . . . . A 30 SER C . 36320 1 335 . 1 . 1 32 32 SER CB C 13 62.306 0.11 . . . . . . A 30 SER CB . 36320 1 336 . 1 . 1 32 32 SER N N 15 117.947 0.02 . . . . . . A 30 SER N . 36320 1 337 . 1 . 1 33 33 ALA H H 1 7.676 0.01 . . . . . . A 31 ALA H . 36320 1 338 . 1 . 1 33 33 ALA HA H 1 4.196 0.00 . . . . . . A 31 ALA HA . 36320 1 339 . 1 . 1 33 33 ALA HB1 H 1 1.644 0.01 . . . . . . A 31 ALA HB1 . 36320 1 340 . 1 . 1 33 33 ALA HB2 H 1 1.644 0.01 . . . . . . A 31 ALA HB2 . 36320 1 341 . 1 . 1 33 33 ALA HB3 H 1 1.644 0.01 . . . . . . A 31 ALA HB3 . 36320 1 342 . 1 . 1 33 33 ALA C C 13 180.702 0.00 . . . . . . A 31 ALA C . 36320 1 343 . 1 . 1 33 33 ALA CA C 13 54.298 0.05 . . . . . . A 31 ALA CA . 36320 1 344 . 1 . 1 33 33 ALA CB C 13 17.956 0.07 . . . . . . A 31 ALA CB . 36320 1 345 . 1 . 1 33 33 ALA N N 15 126.059 0.08 . . . . . . A 31 ALA N . 36320 1 346 . 1 . 1 34 34 TYR H H 1 7.960 0.01 . . . . . . A 32 TYR H . 36320 1 347 . 1 . 1 34 34 TYR HA H 1 3.559 0.01 . . . . . . A 32 TYR HA . 36320 1 348 . 1 . 1 34 34 TYR HB2 H 1 2.901 0.01 . . . . . . A 32 TYR HB2 . 36320 1 349 . 1 . 1 34 34 TYR HB3 H 1 2.199 0.01 . . . . . . A 32 TYR HB3 . 36320 1 350 . 1 . 1 34 34 TYR HD1 H 1 7.362 0.01 . . . . . . A 32 TYR HD1 . 36320 1 351 . 1 . 1 34 34 TYR HD2 H 1 7.362 0.01 . . . . . . A 32 TYR HD2 . 36320 1 352 . 1 . 1 34 34 TYR HE1 H 1 6.514 0.01 . . . . . . A 32 TYR HE1 . 36320 1 353 . 1 . 1 34 34 TYR HE2 H 1 6.514 0.01 . . . . . . A 32 TYR HE2 . 36320 1 354 . 1 . 1 34 34 TYR C C 13 177.244 0.01 . . . . . . A 32 TYR C . 36320 1 355 . 1 . 1 34 34 TYR CA C 13 62.608 0.05 . . . . . . A 32 TYR CA . 36320 1 356 . 1 . 1 34 34 TYR CB C 13 39.371 0.08 . . . . . . A 32 TYR CB . 36320 1 357 . 1 . 1 34 34 TYR CD1 C 13 132.058 0.10 . . . . . . A 32 TYR CD1 . 36320 1 358 . 1 . 1 34 34 TYR CE1 C 13 117.949 0.12 . . . . . . A 32 TYR CE1 . 36320 1 359 . 1 . 1 34 34 TYR N N 15 122.131 0.08 . . . . . . A 32 TYR N . 36320 1 360 . 1 . 1 35 35 GLU H H 1 8.277 0.01 . . . . . . A 33 GLU H . 36320 1 361 . 1 . 1 35 35 GLU HA H 1 4.202 0.01 . . . . . . A 33 GLU HA . 36320 1 362 . 1 . 1 35 35 GLU HB2 H 1 2.321 0.01 . . . . . . A 33 GLU HB2 . 36320 1 363 . 1 . 1 35 35 GLU HB3 H 1 2.089 0.01 . . . . . . A 33 GLU HB3 . 36320 1 364 . 1 . 1 35 35 GLU HG2 H 1 2.240 0.01 . . . . . . A 33 GLU HG2 . 36320 1 365 . 1 . 1 35 35 GLU HG3 H 1 2.240 0.01 . . . . . . A 33 GLU HG3 . 36320 1 366 . 1 . 1 35 35 GLU C C 13 180.326 0.01 . . . . . . A 33 GLU C . 36320 1 367 . 1 . 1 35 35 GLU CA C 13 59.722 0.08 . . . . . . A 33 GLU CA . 36320 1 368 . 1 . 1 35 35 GLU CB C 13 29.649 0.07 . . . . . . A 33 GLU CB . 36320 1 369 . 1 . 1 35 35 GLU CG C 13 36.041 0.09 . . . . . . A 33 GLU CG . 36320 1 370 . 1 . 1 35 35 GLU N N 15 119.463 0.06 . . . . . . A 33 GLU N . 36320 1 371 . 1 . 1 36 36 GLU H H 1 8.089 0.00 . . . . . . A 34 GLU H . 36320 1 372 . 1 . 1 36 36 GLU HA H 1 3.937 0.00 . . . . . . A 34 GLU HA . 36320 1 373 . 1 . 1 36 36 GLU HB2 H 1 2.087 0.01 . . . . . . A 34 GLU HB2 . 36320 1 374 . 1 . 1 36 36 GLU HB3 H 1 2.001 0.01 . . . . . . A 34 GLU HB3 . 36320 1 375 . 1 . 1 36 36 GLU HG2 H 1 2.234 0.01 . . . . . . A 34 GLU HG2 . 36320 1 376 . 1 . 1 36 36 GLU HG3 H 1 2.317 0.01 . . . . . . A 34 GLU HG3 . 36320 1 377 . 1 . 1 36 36 GLU C C 13 177.957 0.01 . . . . . . A 34 GLU C . 36320 1 378 . 1 . 1 36 36 GLU CA C 13 59.136 0.07 . . . . . . A 34 GLU CA . 36320 1 379 . 1 . 1 36 36 GLU CB C 13 29.626 0.03 . . . . . . A 34 GLU CB . 36320 1 380 . 1 . 1 36 36 GLU CG C 13 36.215 0.01 . . . . . . A 34 GLU CG . 36320 1 381 . 1 . 1 36 36 GLU N N 15 119.799 0.02 . . . . . . A 34 GLU N . 36320 1 382 . 1 . 1 37 37 ALA H H 1 7.659 0.00 . . . . . . A 35 ALA H . 36320 1 383 . 1 . 1 37 37 ALA HA H 1 4.266 1.11 . . . . . . A 35 ALA HA . 36320 1 384 . 1 . 1 37 37 ALA HB1 H 1 0.795 0.01 . . . . . . A 35 ALA HB1 . 36320 1 385 . 1 . 1 37 37 ALA HB2 H 1 0.795 0.01 . . . . . . A 35 ALA HB2 . 36320 1 386 . 1 . 1 37 37 ALA HB3 H 1 0.795 0.01 . . . . . . A 35 ALA HB3 . 36320 1 387 . 1 . 1 37 37 ALA C C 13 179.949 0.01 . . . . . . A 35 ALA C . 36320 1 388 . 1 . 1 37 37 ALA CA C 13 54.407 0.04 . . . . . . A 35 ALA CA . 36320 1 389 . 1 . 1 37 37 ALA CB C 13 18.084 0.05 . . . . . . A 35 ALA CB . 36320 1 390 . 1 . 1 37 37 ALA N N 15 119.275 0.04 . . . . . . A 35 ALA N . 36320 1 391 . 1 . 1 38 38 TYR H H 1 7.878 0.01 . . . . . . A 36 TYR H . 36320 1 392 . 1 . 1 38 38 TYR HA H 1 4.781 0.01 . . . . . . A 36 TYR HA . 36320 1 393 . 1 . 1 38 38 TYR HB2 H 1 3.278 0.01 . . . . . . A 36 TYR HB2 . 36320 1 394 . 1 . 1 38 38 TYR HB3 H 1 2.322 0.01 . . . . . . A 36 TYR HB3 . 36320 1 395 . 1 . 1 38 38 TYR HD1 H 1 6.462 0.01 . . . . . . A 36 TYR HD1 . 36320 1 396 . 1 . 1 38 38 TYR HD2 H 1 6.462 0.01 . . . . . . A 36 TYR HD2 . 36320 1 397 . 1 . 1 38 38 TYR HE1 H 1 6.424 0.01 . . . . . . A 36 TYR HE1 . 36320 1 398 . 1 . 1 38 38 TYR HE2 H 1 6.424 0.01 . . . . . . A 36 TYR HE2 . 36320 1 399 . 1 . 1 38 38 TYR C C 13 177.241 0.01 . . . . . . A 36 TYR C . 36320 1 400 . 1 . 1 38 38 TYR CA C 13 57.959 0.01 . . . . . . A 36 TYR CA . 36320 1 401 . 1 . 1 38 38 TYR CB C 13 40.341 0.05 . . . . . . A 36 TYR CB . 36320 1 402 . 1 . 1 38 38 TYR CD1 C 13 133.546 0.06 . . . . . . A 36 TYR CD1 . 36320 1 403 . 1 . 1 38 38 TYR CE1 C 13 118.303 0.03 . . . . . . A 36 TYR CE1 . 36320 1 404 . 1 . 1 38 38 TYR N N 15 111.409 0.02 . . . . . . A 36 TYR N . 36320 1 405 . 1 . 1 39 39 GLY H H 1 8.587 0.01 . . . . . . A 37 GLY H . 36320 1 406 . 1 . 1 39 39 GLY HA2 H 1 4.011 0.01 . . . . . . A 37 GLY HA2 . 36320 1 407 . 1 . 1 39 39 GLY HA3 H 1 3.961 0.01 . . . . . . A 37 GLY HA3 . 36320 1 408 . 1 . 1 39 39 GLY C C 13 173.777 0.00 . . . . . . A 37 GLY C . 36320 1 409 . 1 . 1 39 39 GLY CA C 13 46.700 0.05 . . . . . . A 37 GLY CA . 36320 1 410 . 1 . 1 39 39 GLY N N 15 109.859 0.09 . . . . . . A 37 GLY N . 36320 1 411 . 1 . 1 40 40 VAL H H 1 6.682 0.01 . . . . . . A 38 VAL H . 36320 1 412 . 1 . 1 40 40 VAL HA H 1 4.473 0.01 . . . . . . A 38 VAL HA . 36320 1 413 . 1 . 1 40 40 VAL HB H 1 1.835 0.01 . . . . . . A 38 VAL HB . 36320 1 414 . 1 . 1 40 40 VAL HG11 H 1 0.674 0.01 . . . . . . A 38 VAL HG11 . 36320 1 415 . 1 . 1 40 40 VAL HG12 H 1 0.674 0.01 . . . . . . A 38 VAL HG12 . 36320 1 416 . 1 . 1 40 40 VAL HG13 H 1 0.674 0.01 . . . . . . A 38 VAL HG13 . 36320 1 417 . 1 . 1 40 40 VAL HG21 H 1 0.499 0.01 . . . . . . A 38 VAL HG21 . 36320 1 418 . 1 . 1 40 40 VAL HG22 H 1 0.499 0.01 . . . . . . A 38 VAL HG22 . 36320 1 419 . 1 . 1 40 40 VAL HG23 H 1 0.499 0.01 . . . . . . A 38 VAL HG23 . 36320 1 420 . 1 . 1 40 40 VAL C C 13 173.124 0.00 . . . . . . A 38 VAL C . 36320 1 421 . 1 . 1 40 40 VAL CA C 13 59.189 0.07 . . . . . . A 38 VAL CA . 36320 1 422 . 1 . 1 40 40 VAL CB C 13 34.752 0.06 . . . . . . A 38 VAL CB . 36320 1 423 . 1 . 1 40 40 VAL CG1 C 13 21.112 0.03 . . . . . . A 38 VAL CG1 . 36320 1 424 . 1 . 1 40 40 VAL CG2 C 13 18.982 0.05 . . . . . . A 38 VAL CG2 . 36320 1 425 . 1 . 1 40 40 VAL N N 15 113.383 0.02 . . . . . . A 38 VAL N . 36320 1 426 . 1 . 1 41 41 SER H H 1 8.105 0.01 . . . . . . A 39 SER H . 36320 1 427 . 1 . 1 41 41 SER HA H 1 4.491 0.00 . . . . . . A 39 SER HA . 36320 1 428 . 1 . 1 41 41 SER HB2 H 1 3.731 0.01 . . . . . . A 39 SER HB2 . 36320 1 429 . 1 . 1 41 41 SER HB3 H 1 3.731 0.01 . . . . . . A 39 SER HB3 . 36320 1 430 . 1 . 1 41 41 SER C C 13 174.191 0.01 . . . . . . A 39 SER C . 36320 1 431 . 1 . 1 41 41 SER CA C 13 57.188 0.03 . . . . . . A 39 SER CA . 36320 1 432 . 1 . 1 41 41 SER CB C 13 63.735 0.03 . . . . . . A 39 SER CB . 36320 1 433 . 1 . 1 41 41 SER N N 15 117.164 0.02 . . . . . . A 39 SER N . 36320 1 434 . 1 . 1 42 42 VAL H H 1 9.105 0.01 . . . . . . A 40 VAL H . 36320 1 435 . 1 . 1 42 42 VAL HA H 1 4.195 0.00 . . . . . . A 40 VAL HA . 36320 1 436 . 1 . 1 42 42 VAL HB H 1 1.811 0.01 . . . . . . A 40 VAL HB . 36320 1 437 . 1 . 1 42 42 VAL HG11 H 1 0.793 0.01 . . . . . . A 40 VAL HG11 . 36320 1 438 . 1 . 1 42 42 VAL HG12 H 1 0.793 0.01 . . . . . . A 40 VAL HG12 . 36320 1 439 . 1 . 1 42 42 VAL HG13 H 1 0.793 0.01 . . . . . . A 40 VAL HG13 . 36320 1 440 . 1 . 1 42 42 VAL HG21 H 1 0.222 0.01 . . . . . . A 40 VAL HG21 . 36320 1 441 . 1 . 1 42 42 VAL HG22 H 1 0.222 0.01 . . . . . . A 40 VAL HG22 . 36320 1 442 . 1 . 1 42 42 VAL HG23 H 1 0.222 0.01 . . . . . . A 40 VAL HG23 . 36320 1 443 . 1 . 1 42 42 VAL C C 13 174.137 0.00 . . . . . . A 40 VAL C . 36320 1 444 . 1 . 1 42 42 VAL CA C 13 59.407 0.04 . . . . . . A 40 VAL CA . 36320 1 445 . 1 . 1 42 42 VAL CB C 13 32.562 0.07 . . . . . . A 40 VAL CB . 36320 1 446 . 1 . 1 42 42 VAL CG1 C 13 21.316 0.08 . . . . . . A 40 VAL CG1 . 36320 1 447 . 1 . 1 42 42 VAL CG2 C 13 21.385 0.03 . . . . . . A 40 VAL CG2 . 36320 1 448 . 1 . 1 42 42 VAL N N 15 126.658 0.03 . . . . . . A 40 VAL N . 36320 1 449 . 1 . 1 43 43 PRO HA H 1 4.463 0.01 . . . . . . A 41 PRO HA . 36320 1 450 . 1 . 1 43 43 PRO HB2 H 1 2.540 0.01 . . . . . . A 41 PRO HB2 . 36320 1 451 . 1 . 1 43 43 PRO HB3 H 1 1.814 0.01 . . . . . . A 41 PRO HB3 . 36320 1 452 . 1 . 1 43 43 PRO HG2 H 1 2.158 0.01 . . . . . . A 41 PRO HG2 . 36320 1 453 . 1 . 1 43 43 PRO HG3 H 1 2.109 0.01 . . . . . . A 41 PRO HG3 . 36320 1 454 . 1 . 1 43 43 PRO HD2 H 1 4.187 0.01 . . . . . . A 41 PRO HD2 . 36320 1 455 . 1 . 1 43 43 PRO HD3 H 1 3.100 0.01 . . . . . . A 41 PRO HD3 . 36320 1 456 . 1 . 1 43 43 PRO C C 13 178.206 0.00 . . . . . . A 41 PRO C . 36320 1 457 . 1 . 1 43 43 PRO CA C 13 62.660 0.08 . . . . . . A 41 PRO CA . 36320 1 458 . 1 . 1 43 43 PRO CB C 13 32.933 0.10 . . . . . . A 41 PRO CB . 36320 1 459 . 1 . 1 43 43 PRO CG C 13 27.584 0.05 . . . . . . A 41 PRO CG . 36320 1 460 . 1 . 1 43 43 PRO CD C 13 51.738 0.05 . . . . . . A 41 PRO CD . 36320 1 461 . 1 . 1 44 44 SER H H 1 8.948 0.01 . . . . . . A 42 SER H . 36320 1 462 . 1 . 1 44 44 SER HA H 1 3.938 0.01 . . . . . . A 42 SER HA . 36320 1 463 . 1 . 1 44 44 SER C C 13 176.738 0.02 . . . . . . A 42 SER C . 36320 1 464 . 1 . 1 44 44 SER CA C 13 62.370 0.08 . . . . . . A 42 SER CA . 36320 1 465 . 1 . 1 44 44 SER N N 15 120.951 0.06 . . . . . . A 42 SER N . 36320 1 466 . 1 . 1 45 45 ALA H H 1 8.876 0.00 . . . . . . A 43 ALA H . 36320 1 467 . 1 . 1 45 45 ALA HA H 1 4.156 0.01 . . . . . . A 43 ALA HA . 36320 1 468 . 1 . 1 45 45 ALA HB1 H 1 1.408 0.01 . . . . . . A 43 ALA HB1 . 36320 1 469 . 1 . 1 45 45 ALA HB2 H 1 1.408 0.01 . . . . . . A 43 ALA HB2 . 36320 1 470 . 1 . 1 45 45 ALA HB3 H 1 1.408 0.01 . . . . . . A 43 ALA HB3 . 36320 1 471 . 1 . 1 45 45 ALA C C 13 180.964 0.00 . . . . . . A 43 ALA C . 36320 1 472 . 1 . 1 45 45 ALA CA C 13 55.153 0.03 . . . . . . A 43 ALA CA . 36320 1 473 . 1 . 1 45 45 ALA CB C 13 18.519 0.05 . . . . . . A 43 ALA CB . 36320 1 474 . 1 . 1 45 45 ALA N N 15 121.964 0.02 . . . . . . A 43 ALA N . 36320 1 475 . 1 . 1 46 46 VAL H H 1 7.108 0.01 . . . . . . A 44 VAL H . 36320 1 476 . 1 . 1 46 46 VAL HA H 1 3.662 0.01 . . . . . . A 44 VAL HA . 36320 1 477 . 1 . 1 46 46 VAL HB H 1 1.735 0.01 . . . . . . A 44 VAL HB . 36320 1 478 . 1 . 1 46 46 VAL HG11 H 1 0.893 0.01 . . . . . . A 44 VAL HG11 . 36320 1 479 . 1 . 1 46 46 VAL HG12 H 1 0.893 0.01 . . . . . . A 44 VAL HG12 . 36320 1 480 . 1 . 1 46 46 VAL HG13 H 1 0.893 0.01 . . . . . . A 44 VAL HG13 . 36320 1 481 . 1 . 1 46 46 VAL HG21 H 1 0.021 0.01 . . . . . . A 44 VAL HG21 . 36320 1 482 . 1 . 1 46 46 VAL HG22 H 1 0.021 0.01 . . . . . . A 44 VAL HG22 . 36320 1 483 . 1 . 1 46 46 VAL HG23 H 1 0.021 0.01 . . . . . . A 44 VAL HG23 . 36320 1 484 . 1 . 1 46 46 VAL C C 13 177.310 0.01 . . . . . . A 44 VAL C . 36320 1 485 . 1 . 1 46 46 VAL CA C 13 64.995 0.07 . . . . . . A 44 VAL CA . 36320 1 486 . 1 . 1 46 46 VAL CB C 13 31.197 0.04 . . . . . . A 44 VAL CB . 36320 1 487 . 1 . 1 46 46 VAL CG1 C 13 22.115 0.06 . . . . . . A 44 VAL CG1 . 36320 1 488 . 1 . 1 46 46 VAL CG2 C 13 20.715 0.05 . . . . . . A 44 VAL CG2 . 36320 1 489 . 1 . 1 46 46 VAL N N 15 118.489 0.02 . . . . . . A 44 VAL N . 36320 1 490 . 1 . 1 47 47 VAL H H 1 7.582 0.01 . . . . . . A 45 VAL H . 36320 1 491 . 1 . 1 47 47 VAL HA H 1 3.159 0.01 . . . . . . A 45 VAL HA . 36320 1 492 . 1 . 1 47 47 VAL HB H 1 2.291 0.01 . . . . . . A 45 VAL HB . 36320 1 493 . 1 . 1 47 47 VAL HG11 H 1 1.068 0.01 . . . . . . A 45 VAL HG11 . 36320 1 494 . 1 . 1 47 47 VAL HG12 H 1 1.068 0.01 . . . . . . A 45 VAL HG12 . 36320 1 495 . 1 . 1 47 47 VAL HG13 H 1 1.068 0.01 . . . . . . A 45 VAL HG13 . 36320 1 496 . 1 . 1 47 47 VAL HG21 H 1 0.897 0.01 . . . . . . A 45 VAL HG21 . 36320 1 497 . 1 . 1 47 47 VAL HG22 H 1 0.897 0.01 . . . . . . A 45 VAL HG22 . 36320 1 498 . 1 . 1 47 47 VAL HG23 H 1 0.897 0.01 . . . . . . A 45 VAL HG23 . 36320 1 499 . 1 . 1 47 47 VAL C C 13 177.825 0.01 . . . . . . A 45 VAL C . 36320 1 500 . 1 . 1 47 47 VAL CA C 13 67.845 0.07 . . . . . . A 45 VAL CA . 36320 1 501 . 1 . 1 47 47 VAL CB C 13 31.331 0.07 . . . . . . A 45 VAL CB . 36320 1 502 . 1 . 1 47 47 VAL CG1 C 13 21.787 0.03 . . . . . . A 45 VAL CG1 . 36320 1 503 . 1 . 1 47 47 VAL CG2 C 13 23.698 0.07 . . . . . . A 45 VAL CG2 . 36320 1 504 . 1 . 1 47 47 VAL N N 15 121.737 0.10 . . . . . . A 45 VAL N . 36320 1 505 . 1 . 1 48 48 GLU H H 1 7.814 0.01 . . . . . . A 46 GLU H . 36320 1 506 . 1 . 1 48 48 GLU HA H 1 4.050 0.01 . . . . . . A 46 GLU HA . 36320 1 507 . 1 . 1 48 48 GLU HB2 H 1 2.059 0.01 . . . . . . A 46 GLU HB2 . 36320 1 508 . 1 . 1 48 48 GLU HB3 H 1 2.059 0.01 . . . . . . A 46 GLU HB3 . 36320 1 509 . 1 . 1 48 48 GLU HG2 H 1 2.281 0.02 . . . . . . A 46 GLU HG2 . 36320 1 510 . 1 . 1 48 48 GLU HG3 H 1 2.281 0.02 . . . . . . A 46 GLU HG3 . 36320 1 511 . 1 . 1 48 48 GLU C C 13 179.523 0.01 . . . . . . A 46 GLU C . 36320 1 512 . 1 . 1 48 48 GLU CA C 13 59.490 0.07 . . . . . . A 46 GLU CA . 36320 1 513 . 1 . 1 48 48 GLU CB C 13 29.530 0.10 . . . . . . A 46 GLU CB . 36320 1 514 . 1 . 1 48 48 GLU CG C 13 35.981 0.17 . . . . . . A 46 GLU CG . 36320 1 515 . 1 . 1 48 48 GLU N N 15 116.190 0.03 . . . . . . A 46 GLU N . 36320 1 516 . 1 . 1 49 49 GLU H H 1 7.592 0.01 . . . . . . A 47 GLU H . 36320 1 517 . 1 . 1 49 49 GLU HA H 1 4.064 0.01 . . . . . . A 47 GLU HA . 36320 1 518 . 1 . 1 49 49 GLU HB2 H 1 2.139 0.01 . . . . . . A 47 GLU HB2 . 36320 1 519 . 1 . 1 49 49 GLU HB3 H 1 2.139 0.01 . . . . . . A 47 GLU HB3 . 36320 1 520 . 1 . 1 49 49 GLU HG2 H 1 2.366 0.00 . . . . . . A 47 GLU HG2 . 36320 1 521 . 1 . 1 49 49 GLU HG3 H 1 2.366 0.00 . . . . . . A 47 GLU HG3 . 36320 1 522 . 1 . 1 49 49 GLU C C 13 179.186 0.00 . . . . . . A 47 GLU C . 36320 1 523 . 1 . 1 49 49 GLU CA C 13 59.283 0.06 . . . . . . A 47 GLU CA . 36320 1 524 . 1 . 1 49 49 GLU CB C 13 29.669 0.07 . . . . . . A 47 GLU CB . 36320 1 525 . 1 . 1 49 49 GLU CG C 13 35.618 0.04 . . . . . . A 47 GLU CG . 36320 1 526 . 1 . 1 49 49 GLU N N 15 121.448 0.03 . . . . . . A 47 GLU N . 36320 1 527 . 1 . 1 50 50 MET H H 1 8.723 0.00 . . . . . . A 48 MET H . 36320 1 528 . 1 . 1 50 50 MET HA H 1 4.123 0.01 . . . . . . A 48 MET HA . 36320 1 529 . 1 . 1 50 50 MET HB2 H 1 1.701 0.01 . . . . . . A 48 MET HB2 . 36320 1 530 . 1 . 1 50 50 MET HB3 H 1 1.223 0.01 . . . . . . A 48 MET HB3 . 36320 1 531 . 1 . 1 50 50 MET HG2 H 1 2.456 0.01 . . . . . . A 48 MET HG2 . 36320 1 532 . 1 . 1 50 50 MET HG3 H 1 2.456 0.01 . . . . . . A 48 MET HG3 . 36320 1 533 . 1 . 1 50 50 MET C C 13 178.882 0.01 . . . . . . A 48 MET C . 36320 1 534 . 1 . 1 50 50 MET CA C 13 56.934 0.09 . . . . . . A 48 MET CA . 36320 1 535 . 1 . 1 50 50 MET CB C 13 30.913 0.05 . . . . . . A 48 MET CB . 36320 1 536 . 1 . 1 50 50 MET CG C 13 32.630 0.09 . . . . . . A 48 MET CG . 36320 1 537 . 1 . 1 50 50 MET N N 15 117.134 0.02 . . . . . . A 48 MET N . 36320 1 538 . 1 . 1 51 51 ASN H H 1 8.688 0.00 . . . . . . A 49 ASN H . 36320 1 539 . 1 . 1 51 51 ASN HA H 1 4.748 0.01 . . . . . . A 49 ASN HA . 36320 1 540 . 1 . 1 51 51 ASN HB2 H 1 2.952 0.01 . . . . . . A 49 ASN HB2 . 36320 1 541 . 1 . 1 51 51 ASN HB3 H 1 2.783 0.01 . . . . . . A 49 ASN HB3 . 36320 1 542 . 1 . 1 51 51 ASN HD21 H 1 7.394 0.01 . . . . . . A 49 ASN HD21 . 36320 1 543 . 1 . 1 51 51 ASN HD22 H 1 7.353 0.00 . . . . . . A 49 ASN HD22 . 36320 1 544 . 1 . 1 51 51 ASN C C 13 179.032 0.02 . . . . . . A 49 ASN C . 36320 1 545 . 1 . 1 51 51 ASN CA C 13 55.960 0.06 . . . . . . A 49 ASN CA . 36320 1 546 . 1 . 1 51 51 ASN CB C 13 37.418 0.03 . . . . . . A 49 ASN CB . 36320 1 547 . 1 . 1 51 51 ASN N N 15 119.326 0.02 . . . . . . A 49 ASN N . 36320 1 548 . 1 . 1 51 51 ASN ND2 N 15 110.113 0.02 . . . . . . A 49 ASN ND2 . 36320 1 549 . 1 . 1 52 52 ALA H H 1 8.003 0.01 . . . . . . A 50 ALA H . 36320 1 550 . 1 . 1 52 52 ALA HA H 1 4.223 0.01 . . . . . . A 50 ALA HA . 36320 1 551 . 1 . 1 52 52 ALA HB1 H 1 1.528 0.01 . . . . . . A 50 ALA HB1 . 36320 1 552 . 1 . 1 52 52 ALA HB2 H 1 1.528 0.01 . . . . . . A 50 ALA HB2 . 36320 1 553 . 1 . 1 52 52 ALA HB3 H 1 1.528 0.01 . . . . . . A 50 ALA HB3 . 36320 1 554 . 1 . 1 52 52 ALA C C 13 180.920 0.00 . . . . . . A 50 ALA C . 36320 1 555 . 1 . 1 52 52 ALA CA C 13 55.156 0.05 . . . . . . A 50 ALA CA . 36320 1 556 . 1 . 1 52 52 ALA CB C 13 17.537 0.07 . . . . . . A 50 ALA CB . 36320 1 557 . 1 . 1 52 52 ALA N N 15 124.664 0.02 . . . . . . A 50 ALA N . 36320 1 558 . 1 . 1 53 53 LYS H H 1 7.864 0.01 . . . . . . A 51 LYS H . 36320 1 559 . 1 . 1 53 53 LYS HA H 1 4.020 0.01 . . . . . . A 51 LYS HA . 36320 1 560 . 1 . 1 53 53 LYS HB2 H 1 1.878 0.01 . . . . . . A 51 LYS HB2 . 36320 1 561 . 1 . 1 53 53 LYS HB3 H 1 1.707 0.01 . . . . . . A 51 LYS HB3 . 36320 1 562 . 1 . 1 53 53 LYS HG2 H 1 1.668 0.01 . . . . . . A 51 LYS HG2 . 36320 1 563 . 1 . 1 53 53 LYS HG3 H 1 1.371 0.01 . . . . . . A 51 LYS HG3 . 36320 1 564 . 1 . 1 53 53 LYS HD2 H 1 1.624 0.01 . . . . . . A 51 LYS HD2 . 36320 1 565 . 1 . 1 53 53 LYS HD3 H 1 1.624 0.01 . . . . . . A 51 LYS HD3 . 36320 1 566 . 1 . 1 53 53 LYS HE2 H 1 2.929 0.01 . . . . . . A 51 LYS HE2 . 36320 1 567 . 1 . 1 53 53 LYS HE3 H 1 2.885 0.01 . . . . . . A 51 LYS HE3 . 36320 1 568 . 1 . 1 53 53 LYS C C 13 180.584 0.01 . . . . . . A 51 LYS C . 36320 1 569 . 1 . 1 53 53 LYS CA C 13 59.528 0.09 . . . . . . A 51 LYS CA . 36320 1 570 . 1 . 1 53 53 LYS CB C 13 33.694 0.05 . . . . . . A 51 LYS CB . 36320 1 571 . 1 . 1 53 53 LYS CG C 13 26.471 0.06 . . . . . . A 51 LYS CG . 36320 1 572 . 1 . 1 53 53 LYS CD C 13 29.742 0.07 . . . . . . A 51 LYS CD . 36320 1 573 . 1 . 1 53 53 LYS CE C 13 42.406 0.06 . . . . . . A 51 LYS CE . 36320 1 574 . 1 . 1 53 53 LYS N N 15 118.427 0.03 . . . . . . A 51 LYS N . 36320 1 575 . 1 . 1 54 54 ALA H H 1 9.006 0.01 . . . . . . A 52 ALA H . 36320 1 576 . 1 . 1 54 54 ALA HA H 1 4.051 0.01 . . . . . . A 52 ALA HA . 36320 1 577 . 1 . 1 54 54 ALA HB1 H 1 1.612 0.01 . . . . . . A 52 ALA HB1 . 36320 1 578 . 1 . 1 54 54 ALA HB2 H 1 1.612 0.01 . . . . . . A 52 ALA HB2 . 36320 1 579 . 1 . 1 54 54 ALA HB3 H 1 1.612 0.01 . . . . . . A 52 ALA HB3 . 36320 1 580 . 1 . 1 54 54 ALA C C 13 180.480 0.06 . . . . . . A 52 ALA C . 36320 1 581 . 1 . 1 54 54 ALA CA C 13 54.539 0.03 . . . . . . A 52 ALA CA . 36320 1 582 . 1 . 1 54 54 ALA CB C 13 17.839 0.04 . . . . . . A 52 ALA CB . 36320 1 583 . 1 . 1 54 54 ALA N N 15 123.115 0.05 . . . . . . A 52 ALA N . 36320 1 584 . 1 . 1 55 55 ALA H H 1 7.835 0.01 . . . . . . A 53 ALA H . 36320 1 585 . 1 . 1 55 55 ALA HA H 1 4.160 0.01 . . . . . . A 53 ALA HA . 36320 1 586 . 1 . 1 55 55 ALA HB1 H 1 1.555 0.01 . . . . . . A 53 ALA HB1 . 36320 1 587 . 1 . 1 55 55 ALA HB2 H 1 1.555 0.01 . . . . . . A 53 ALA HB2 . 36320 1 588 . 1 . 1 55 55 ALA HB3 H 1 1.555 0.01 . . . . . . A 53 ALA HB3 . 36320 1 589 . 1 . 1 55 55 ALA C C 13 178.324 0.00 . . . . . . A 53 ALA C . 36320 1 590 . 1 . 1 55 55 ALA CA C 13 54.184 0.06 . . . . . . A 53 ALA CA . 36320 1 591 . 1 . 1 55 55 ALA CB C 13 18.282 0.04 . . . . . . A 53 ALA CB . 36320 1 592 . 1 . 1 55 55 ALA N N 15 119.940 0.09 . . . . . . A 53 ALA N . 36320 1 593 . 1 . 1 56 56 GLN H H 1 7.202 0.00 . . . . . . A 54 GLN H . 36320 1 594 . 1 . 1 56 56 GLN HA H 1 4.381 0.01 . . . . . . A 54 GLN HA . 36320 1 595 . 1 . 1 56 56 GLN HB2 H 1 2.371 0.01 . . . . . . A 54 GLN HB2 . 36320 1 596 . 1 . 1 56 56 GLN HB3 H 1 2.041 0.01 . . . . . . A 54 GLN HB3 . 36320 1 597 . 1 . 1 56 56 GLN HG2 H 1 2.548 0.01 . . . . . . A 54 GLN HG2 . 36320 1 598 . 1 . 1 56 56 GLN HG3 H 1 2.427 0.01 . . . . . . A 54 GLN HG3 . 36320 1 599 . 1 . 1 56 56 GLN HE21 H 1 7.434 0.01 . . . . . . A 54 GLN HE21 . 36320 1 600 . 1 . 1 56 56 GLN HE22 H 1 6.824 0.00 . . . . . . A 54 GLN HE22 . 36320 1 601 . 1 . 1 56 56 GLN C C 13 176.421 0.01 . . . . . . A 54 GLN C . 36320 1 602 . 1 . 1 56 56 GLN CA C 13 54.918 0.06 . . . . . . A 54 GLN CA . 36320 1 603 . 1 . 1 56 56 GLN CB C 13 29.569 0.05 . . . . . . A 54 GLN CB . 36320 1 604 . 1 . 1 56 56 GLN CG C 13 33.656 0.09 . . . . . . A 54 GLN CG . 36320 1 605 . 1 . 1 56 56 GLN N N 15 113.240 0.02 . . . . . . A 54 GLN N . 36320 1 606 . 1 . 1 56 56 GLN NE2 N 15 112.240 0.03 . . . . . . A 54 GLN NE2 . 36320 1 607 . 1 . 1 57 57 LEU H H 1 7.130 0.01 . . . . . . A 55 LEU H . 36320 1 608 . 1 . 1 57 57 LEU HA H 1 4.260 0.01 . . . . . . A 55 LEU HA . 36320 1 609 . 1 . 1 57 57 LEU HB2 H 1 1.796 0.01 . . . . . . A 55 LEU HB2 . 36320 1 610 . 1 . 1 57 57 LEU HB3 H 1 1.542 0.01 . . . . . . A 55 LEU HB3 . 36320 1 611 . 1 . 1 57 57 LEU HG H 1 2.106 0.01 . . . . . . A 55 LEU HG . 36320 1 612 . 1 . 1 57 57 LEU HD11 H 1 0.911 0.01 . . . . . . A 55 LEU HD11 . 36320 1 613 . 1 . 1 57 57 LEU HD12 H 1 0.911 0.01 . . . . . . A 55 LEU HD12 . 36320 1 614 . 1 . 1 57 57 LEU HD13 H 1 0.911 0.01 . . . . . . A 55 LEU HD13 . 36320 1 615 . 1 . 1 57 57 LEU HD21 H 1 0.810 0.01 . . . . . . A 55 LEU HD21 . 36320 1 616 . 1 . 1 57 57 LEU HD22 H 1 0.810 0.01 . . . . . . A 55 LEU HD22 . 36320 1 617 . 1 . 1 57 57 LEU HD23 H 1 0.810 0.01 . . . . . . A 55 LEU HD23 . 36320 1 618 . 1 . 1 57 57 LEU C C 13 176.925 0.00 . . . . . . A 55 LEU C . 36320 1 619 . 1 . 1 57 57 LEU CA C 13 55.536 0.06 . . . . . . A 55 LEU CA . 36320 1 620 . 1 . 1 57 57 LEU CB C 13 42.217 0.09 . . . . . . A 55 LEU CB . 36320 1 621 . 1 . 1 57 57 LEU CG C 13 26.243 0.09 . . . . . . A 55 LEU CG . 36320 1 622 . 1 . 1 57 57 LEU CD1 C 13 25.770 0.11 . . . . . . A 55 LEU CD1 . 36320 1 623 . 1 . 1 57 57 LEU CD2 C 13 23.498 0.12 . . . . . . A 55 LEU CD2 . 36320 1 624 . 1 . 1 57 57 LEU N N 15 120.059 0.05 . . . . . . A 55 LEU N . 36320 1 625 . 1 . 1 58 58 LYS H H 1 8.855 0.01 . . . . . . A 56 LYS H . 36320 1 626 . 1 . 1 58 58 LYS HA H 1 4.382 0.01 . . . . . . A 56 LYS HA . 36320 1 627 . 1 . 1 58 58 LYS HB2 H 1 1.859 0.01 . . . . . . A 56 LYS HB2 . 36320 1 628 . 1 . 1 58 58 LYS HB3 H 1 1.397 0.01 . . . . . . A 56 LYS HB3 . 36320 1 629 . 1 . 1 58 58 LYS HG2 H 1 1.477 0.01 . . . . . . A 56 LYS HG2 . 36320 1 630 . 1 . 1 58 58 LYS HG3 H 1 1.419 0.01 . . . . . . A 56 LYS HG3 . 36320 1 631 . 1 . 1 58 58 LYS HD2 H 1 1.651 0.01 . . . . . . A 56 LYS HD2 . 36320 1 632 . 1 . 1 58 58 LYS HD3 H 1 1.651 0.01 . . . . . . A 56 LYS HD3 . 36320 1 633 . 1 . 1 58 58 LYS HE2 H 1 3.022 0.01 . . . . . . A 56 LYS HE2 . 36320 1 634 . 1 . 1 58 58 LYS HE3 H 1 3.022 0.01 . . . . . . A 56 LYS HE3 . 36320 1 635 . 1 . 1 58 58 LYS C C 13 175.045 0.01 . . . . . . A 56 LYS C . 36320 1 636 . 1 . 1 58 58 LYS CA C 13 53.950 0.08 . . . . . . A 56 LYS CA . 36320 1 637 . 1 . 1 58 58 LYS CB C 13 33.907 0.06 . . . . . . A 56 LYS CB . 36320 1 638 . 1 . 1 58 58 LYS CG C 13 24.780 0.07 . . . . . . A 56 LYS CG . 36320 1 639 . 1 . 1 58 58 LYS CD C 13 28.815 0.06 . . . . . . A 56 LYS CD . 36320 1 640 . 1 . 1 58 58 LYS CE C 13 42.211 0.06 . . . . . . A 56 LYS CE . 36320 1 641 . 1 . 1 58 58 LYS N N 15 123.243 0.02 . . . . . . A 56 LYS N . 36320 1 642 . 1 . 1 59 59 ASP H H 1 7.963 0.01 . . . . . . A 57 ASP H . 36320 1 643 . 1 . 1 59 59 ASP HA H 1 4.119 0.01 . . . . . . A 57 ASP HA . 36320 1 644 . 1 . 1 59 59 ASP HB2 H 1 2.499 0.01 . . . . . . A 57 ASP HB2 . 36320 1 645 . 1 . 1 59 59 ASP HB3 H 1 2.499 0.01 . . . . . . A 57 ASP HB3 . 36320 1 646 . 1 . 1 59 59 ASP C C 13 177.426 0.01 . . . . . . A 57 ASP C . 36320 1 647 . 1 . 1 59 59 ASP CA C 13 56.347 0.06 . . . . . . A 57 ASP CA . 36320 1 648 . 1 . 1 59 59 ASP CB C 13 40.757 0.07 . . . . . . A 57 ASP CB . 36320 1 649 . 1 . 1 59 59 ASP N N 15 117.263 0.05 . . . . . . A 57 ASP N . 36320 1 650 . 1 . 1 60 60 GLY H H 1 8.690 0.00 . . . . . . A 58 GLY H . 36320 1 651 . 1 . 1 60 60 GLY HA2 H 1 4.228 0.01 . . . . . . A 58 GLY HA2 . 36320 1 652 . 1 . 1 60 60 GLY HA3 H 1 3.533 0.01 . . . . . . A 58 GLY HA3 . 36320 1 653 . 1 . 1 60 60 GLY C C 13 173.176 0.01 . . . . . . A 58 GLY C . 36320 1 654 . 1 . 1 60 60 GLY CA C 13 45.215 0.06 . . . . . . A 58 GLY CA . 36320 1 655 . 1 . 1 60 60 GLY N N 15 112.692 0.03 . . . . . . A 58 GLY N . 36320 1 656 . 1 . 1 61 61 GLU H H 1 7.938 0.01 . . . . . . A 59 GLU H . 36320 1 657 . 1 . 1 61 61 GLU HA H 1 4.756 0.01 . . . . . . A 59 GLU HA . 36320 1 658 . 1 . 1 61 61 GLU HB2 H 1 2.468 0.01 . . . . . . A 59 GLU HB2 . 36320 1 659 . 1 . 1 61 61 GLU HB3 H 1 1.732 0.01 . . . . . . A 59 GLU HB3 . 36320 1 660 . 1 . 1 61 61 GLU HG2 H 1 2.055 0.01 . . . . . . A 59 GLU HG2 . 36320 1 661 . 1 . 1 61 61 GLU HG3 H 1 1.871 0.01 . . . . . . A 59 GLU HG3 . 36320 1 662 . 1 . 1 61 61 GLU C C 13 175.697 0.00 . . . . . . A 59 GLU C . 36320 1 663 . 1 . 1 61 61 GLU CA C 13 55.226 0.09 . . . . . . A 59 GLU CA . 36320 1 664 . 1 . 1 61 61 GLU CB C 13 33.072 0.08 . . . . . . A 59 GLU CB . 36320 1 665 . 1 . 1 61 61 GLU CG C 13 36.925 0.09 . . . . . . A 59 GLU CG . 36320 1 666 . 1 . 1 61 61 GLU N N 15 117.140 0.08 . . . . . . A 59 GLU N . 36320 1 667 . 1 . 1 62 62 TRP H H 1 9.045 0.01 . . . . . . A 60 TRP H . 36320 1 668 . 1 . 1 62 62 TRP HA H 1 5.091 0.01 . . . . . . A 60 TRP HA . 36320 1 669 . 1 . 1 62 62 TRP HB2 H 1 2.996 0.01 . . . . . . A 60 TRP HB2 . 36320 1 670 . 1 . 1 62 62 TRP HB3 H 1 2.885 0.01 . . . . . . A 60 TRP HB3 . 36320 1 671 . 1 . 1 62 62 TRP HD1 H 1 7.018 0.01 . . . . . . A 60 TRP HD1 . 36320 1 672 . 1 . 1 62 62 TRP HE1 H 1 10.532 0.01 . . . . . . A 60 TRP HE1 . 36320 1 673 . 1 . 1 62 62 TRP HE3 H 1 7.445 0.01 . . . . . . A 60 TRP HE3 . 36320 1 674 . 1 . 1 62 62 TRP HZ2 H 1 7.547 0.00 . . . . . . A 60 TRP HZ2 . 36320 1 675 . 1 . 1 62 62 TRP HZ3 H 1 7.080 0.00 . . . . . . A 60 TRP HZ3 . 36320 1 676 . 1 . 1 62 62 TRP HH2 H 1 7.168 0.01 . . . . . . A 60 TRP HH2 . 36320 1 677 . 1 . 1 62 62 TRP C C 13 174.587 0.00 . . . . . . A 60 TRP C . 36320 1 678 . 1 . 1 62 62 TRP CA C 13 56.502 0.12 . . . . . . A 60 TRP CA . 36320 1 679 . 1 . 1 62 62 TRP CB C 13 33.061 0.05 . . . . . . A 60 TRP CB . 36320 1 680 . 1 . 1 62 62 TRP CD1 C 13 126.486 0.08 . . . . . . A 60 TRP CD1 . 36320 1 681 . 1 . 1 62 62 TRP CE3 C 13 120.586 0.09 . . . . . . A 60 TRP CE3 . 36320 1 682 . 1 . 1 62 62 TRP CZ2 C 13 114.693 0.06 . . . . . . A 60 TRP CZ2 . 36320 1 683 . 1 . 1 62 62 TRP CZ3 C 13 122.696 0.05 . . . . . . A 60 TRP CZ3 . 36320 1 684 . 1 . 1 62 62 TRP CH2 C 13 124.993 0.06 . . . . . . A 60 TRP CH2 . 36320 1 685 . 1 . 1 62 62 TRP N N 15 120.421 0.08 . . . . . . A 60 TRP N . 36320 1 686 . 1 . 1 62 62 TRP NE1 N 15 130.033 0.01 . . . . . . A 60 TRP NE1 . 36320 1 687 . 1 . 1 63 63 LEU H H 1 9.490 0.01 . . . . . . A 61 LEU H . 36320 1 688 . 1 . 1 63 63 LEU HA H 1 5.122 0.01 . . . . . . A 61 LEU HA . 36320 1 689 . 1 . 1 63 63 LEU HB2 H 1 2.250 0.01 . . . . . . A 61 LEU HB2 . 36320 1 690 . 1 . 1 63 63 LEU HB3 H 1 1.386 0.01 . . . . . . A 61 LEU HB3 . 36320 1 691 . 1 . 1 63 63 LEU HG H 1 1.432 0.01 . . . . . . A 61 LEU HG . 36320 1 692 . 1 . 1 63 63 LEU HD11 H 1 0.871 0.01 . . . . . . A 61 LEU HD11 . 36320 1 693 . 1 . 1 63 63 LEU HD12 H 1 0.871 0.01 . . . . . . A 61 LEU HD12 . 36320 1 694 . 1 . 1 63 63 LEU HD13 H 1 0.871 0.01 . . . . . . A 61 LEU HD13 . 36320 1 695 . 1 . 1 63 63 LEU HD21 H 1 0.886 0.01 . . . . . . A 61 LEU HD21 . 36320 1 696 . 1 . 1 63 63 LEU HD22 H 1 0.886 0.01 . . . . . . A 61 LEU HD22 . 36320 1 697 . 1 . 1 63 63 LEU HD23 H 1 0.886 0.01 . . . . . . A 61 LEU HD23 . 36320 1 698 . 1 . 1 63 63 LEU C C 13 176.178 0.01 . . . . . . A 61 LEU C . 36320 1 699 . 1 . 1 63 63 LEU CA C 13 53.357 0.04 . . . . . . A 61 LEU CA . 36320 1 700 . 1 . 1 63 63 LEU CB C 13 45.679 0.05 . . . . . . A 61 LEU CB . 36320 1 701 . 1 . 1 63 63 LEU CG C 13 27.334 0.10 . . . . . . A 61 LEU CG . 36320 1 702 . 1 . 1 63 63 LEU CD1 C 13 27.547 0.07 . . . . . . A 61 LEU CD1 . 36320 1 703 . 1 . 1 63 63 LEU CD2 C 13 24.789 0.08 . . . . . . A 61 LEU CD2 . 36320 1 704 . 1 . 1 63 63 LEU N N 15 123.150 0.04 . . . . . . A 61 LEU N . 36320 1 705 . 1 . 1 64 64 ASN H H 1 9.772 0.01 . . . . . . A 62 ASN H . 36320 1 706 . 1 . 1 64 64 ASN HA H 1 5.603 0.01 . . . . . . A 62 ASN HA . 36320 1 707 . 1 . 1 64 64 ASN HB2 H 1 3.129 0.01 . . . . . . A 62 ASN HB2 . 36320 1 708 . 1 . 1 64 64 ASN HB3 H 1 2.681 0.01 . . . . . . A 62 ASN HB3 . 36320 1 709 . 1 . 1 64 64 ASN HD21 H 1 7.404 0.01 . . . . . . A 62 ASN HD21 . 36320 1 710 . 1 . 1 64 64 ASN HD22 H 1 6.608 0.00 . . . . . . A 62 ASN HD22 . 36320 1 711 . 1 . 1 64 64 ASN C C 13 174.633 0.00 . . . . . . A 62 ASN C . 36320 1 712 . 1 . 1 64 64 ASN CA C 13 52.088 0.04 . . . . . . A 62 ASN CA . 36320 1 713 . 1 . 1 64 64 ASN CB C 13 41.152 0.06 . . . . . . A 62 ASN CB . 36320 1 714 . 1 . 1 64 64 ASN N N 15 127.662 0.02 . . . . . . A 62 ASN N . 36320 1 715 . 1 . 1 64 64 ASN ND2 N 15 111.519 0.04 . . . . . . A 62 ASN ND2 . 36320 1 716 . 1 . 1 65 65 VAL H H 1 8.037 0.01 . . . . . . A 63 VAL H . 36320 1 717 . 1 . 1 65 65 VAL HA H 1 4.680 0.00 . . . . . . A 63 VAL HA . 36320 1 718 . 1 . 1 65 65 VAL HB H 1 2.049 0.00 . . . . . . A 63 VAL HB . 36320 1 719 . 1 . 1 65 65 VAL HG11 H 1 0.939 0.01 . . . . . . A 63 VAL HG11 . 36320 1 720 . 1 . 1 65 65 VAL HG12 H 1 0.939 0.01 . . . . . . A 63 VAL HG12 . 36320 1 721 . 1 . 1 65 65 VAL HG13 H 1 0.939 0.01 . . . . . . A 63 VAL HG13 . 36320 1 722 . 1 . 1 65 65 VAL HG21 H 1 0.753 0.01 . . . . . . A 63 VAL HG21 . 36320 1 723 . 1 . 1 65 65 VAL HG22 H 1 0.753 0.01 . . . . . . A 63 VAL HG22 . 36320 1 724 . 1 . 1 65 65 VAL HG23 H 1 0.753 0.01 . . . . . . A 63 VAL HG23 . 36320 1 725 . 1 . 1 65 65 VAL C C 13 173.943 0.01 . . . . . . A 63 VAL C . 36320 1 726 . 1 . 1 65 65 VAL CA C 13 62.127 0.04 . . . . . . A 63 VAL CA . 36320 1 727 . 1 . 1 65 65 VAL CB C 13 34.307 0.06 . . . . . . A 63 VAL CB . 36320 1 728 . 1 . 1 65 65 VAL CG1 C 13 20.928 0.10 . . . . . . A 63 VAL CG1 . 36320 1 729 . 1 . 1 65 65 VAL CG2 C 13 20.635 0.04 . . . . . . A 63 VAL CG2 . 36320 1 730 . 1 . 1 65 65 VAL N N 15 128.269 0.08 . . . . . . A 63 VAL N . 36320 1 731 . 1 . 1 66 66 SER H H 1 8.789 0.00 . . . . . . A 64 SER H . 36320 1 732 . 1 . 1 66 66 SER HA H 1 5.076 0.01 . . . . . . A 64 SER HA . 36320 1 733 . 1 . 1 66 66 SER HB2 H 1 3.701 0.01 . . . . . . A 64 SER HB2 . 36320 1 734 . 1 . 1 66 66 SER HB3 H 1 3.626 0.01 . . . . . . A 64 SER HB3 . 36320 1 735 . 1 . 1 66 66 SER C C 13 171.901 0.00 . . . . . . A 64 SER C . 36320 1 736 . 1 . 1 66 66 SER CA C 13 56.876 0.05 . . . . . . A 64 SER CA . 36320 1 737 . 1 . 1 66 66 SER CB C 13 65.908 0.04 . . . . . . A 64 SER CB . 36320 1 738 . 1 . 1 66 66 SER N N 15 121.272 0.09 . . . . . . A 64 SER N . 36320 1 739 . 1 . 1 67 67 HIS H H 1 7.434 0.01 . . . . . . A 65 HIS H . 36320 1 740 . 1 . 1 67 67 HIS HA H 1 5.241 0.01 . . . . . . A 65 HIS HA . 36320 1 741 . 1 . 1 67 67 HIS HB2 H 1 2.083 0.01 . . . . . . A 65 HIS HB2 . 36320 1 742 . 1 . 1 67 67 HIS HB3 H 1 2.083 0.01 . . . . . . A 65 HIS HB3 . 36320 1 743 . 1 . 1 67 67 HIS HD2 H 1 6.475 0.01 . . . . . . A 65 HIS HD2 . 36320 1 744 . 1 . 1 67 67 HIS HE1 H 1 7.226 0.01 . . . . . . A 65 HIS HE1 . 36320 1 745 . 1 . 1 67 67 HIS C C 13 174.078 0.01 . . . . . . A 65 HIS C . 36320 1 746 . 1 . 1 67 67 HIS CA C 13 55.113 0.02 . . . . . . A 65 HIS CA . 36320 1 747 . 1 . 1 67 67 HIS CB C 13 33.037 0.06 . . . . . . A 65 HIS CB . 36320 1 748 . 1 . 1 67 67 HIS CD2 C 13 117.077 0.02 . . . . . . A 65 HIS CD2 . 36320 1 749 . 1 . 1 67 67 HIS CE1 C 13 137.105 0.04 . . . . . . A 65 HIS CE1 . 36320 1 750 . 1 . 1 67 67 HIS N N 15 114.411 0.04 . . . . . . A 65 HIS N . 36320 1 751 . 1 . 1 68 68 GLU H H 1 8.212 0.01 . . . . . . A 66 GLU H . 36320 1 752 . 1 . 1 68 68 GLU HA H 1 4.275 0.01 . . . . . . A 66 GLU HA . 36320 1 753 . 1 . 1 68 68 GLU HB2 H 1 1.953 0.01 . . . . . . A 66 GLU HB2 . 36320 1 754 . 1 . 1 68 68 GLU HB3 H 1 1.772 0.01 . . . . . . A 66 GLU HB3 . 36320 1 755 . 1 . 1 68 68 GLU HG2 H 1 2.098 0.01 . . . . . . A 66 GLU HG2 . 36320 1 756 . 1 . 1 68 68 GLU HG3 H 1 2.098 0.01 . . . . . . A 66 GLU HG3 . 36320 1 757 . 1 . 1 68 68 GLU C C 13 174.613 0.00 . . . . . . A 66 GLU C . 36320 1 758 . 1 . 1 68 68 GLU CA C 13 55.494 0.08 . . . . . . A 66 GLU CA . 36320 1 759 . 1 . 1 68 68 GLU CB C 13 31.858 0.05 . . . . . . A 66 GLU CB . 36320 1 760 . 1 . 1 68 68 GLU CG C 13 36.003 0.04 . . . . . . A 66 GLU CG . 36320 1 761 . 1 . 1 68 68 GLU N N 15 120.339 0.10 . . . . . . A 66 GLU N . 36320 1 762 . 1 . 1 69 69 ALA H H 1 8.250 0.01 . . . . . . A 67 ALA H . 36320 1 763 . 1 . 1 69 69 ALA HA H 1 4.225 0.00 . . . . . . A 67 ALA HA . 36320 1 764 . 1 . 1 69 69 ALA HB1 H 1 1.349 0.01 . . . . . . A 67 ALA HB1 . 36320 1 765 . 1 . 1 69 69 ALA HB2 H 1 1.349 0.01 . . . . . . A 67 ALA HB2 . 36320 1 766 . 1 . 1 69 69 ALA HB3 H 1 1.349 0.01 . . . . . . A 67 ALA HB3 . 36320 1 767 . 1 . 1 69 69 ALA C C 13 174.614 0.00 . . . . . . A 67 ALA C . 36320 1 768 . 1 . 1 69 69 ALA CA C 13 53.765 0.07 . . . . . . A 67 ALA CA . 36320 1 769 . 1 . 1 69 69 ALA CB C 13 20.414 0.06 . . . . . . A 67 ALA CB . 36320 1 770 . 1 . 1 69 69 ALA N N 15 132.161 0.08 . . . . . . A 67 ALA N . 36320 1 stop_ save_