################################### # 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 34600 _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' . . . 34600 1 2 '3D 1H-15N NOESY' . . . 34600 1 3 '3D 1H-13C NOESY' . . . 34600 1 4 '3D HCCH-TOCSY' . . . 34600 1 5 '2D 15N HSQC-NOESY' . . . 34600 1 6 '3D 1H-15N TOCSY' . . . 34600 1 7 '3D CBCA(CO)NH' . . . 34600 1 8 '3D HNCACB' . . . 34600 1 9 '3D HN(CA)CO' . . . 34600 1 10 '3D HNCO' . . . 34600 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 4 4 ASN HA H 1 4.232 0.00 . . . . . . A 87 ASN HA . 34600 1 2 . 1 . 1 4 4 ASN HB2 H 1 2.821 0.00 . . . . . . A 87 ASN HB2 . 34600 1 3 . 1 . 1 4 4 ASN HB3 H 1 2.871 0.00 . . . . . . A 87 ASN HB3 . 34600 1 4 . 1 . 1 4 4 ASN C C 13 175.628 0.01 . . . . . . A 87 ASN C . 34600 1 5 . 1 . 1 4 4 ASN CA C 13 53.209 0.19 . . . . . . A 87 ASN CA . 34600 1 6 . 1 . 1 4 4 ASN CB C 13 38.744 0.16 . . . . . . A 87 ASN CB . 34600 1 7 . 1 . 1 4 4 ASN N N 15 120.600 0.06 . . . . . . A 87 ASN N . 34600 1 8 . 1 . 1 5 5 GLY H H 1 8.304 0.01 . . . . . . A 88 GLY H . 34600 1 9 . 1 . 1 5 5 GLY C C 13 173.865 0.01 . . . . . . A 88 GLY C . 34600 1 10 . 1 . 1 5 5 GLY CA C 13 45.207 0.13 . . . . . . A 88 GLY CA . 34600 1 11 . 1 . 1 5 5 GLY N N 15 108.818 0.06 . . . . . . A 88 GLY N . 34600 1 12 . 1 . 1 6 6 MET H H 1 8.025 0.01 . . . . . . A 89 MET H . 34600 1 13 . 1 . 1 6 6 MET HA H 1 4.761 0.01 . . . . . . A 89 MET HA . 34600 1 14 . 1 . 1 6 6 MET HB2 H 1 1.940 0.00 . . . . . . A 89 MET HB2 . 34600 1 15 . 1 . 1 6 6 MET HB3 H 1 1.985 0.02 . . . . . . A 89 MET HB3 . 34600 1 16 . 1 . 1 6 6 MET HG2 H 1 2.508 0.02 . . . . . . A 89 MET HG2 . 34600 1 17 . 1 . 1 6 6 MET HG3 H 1 2.579 0.01 . . . . . . A 89 MET HG3 . 34600 1 18 . 1 . 1 6 6 MET C C 13 174.268 0.00 . . . . . . A 89 MET C . 34600 1 19 . 1 . 1 6 6 MET CA C 13 53.345 0.05 . . . . . . A 89 MET CA . 34600 1 20 . 1 . 1 6 6 MET CB C 13 32.505 0.11 . . . . . . A 89 MET CB . 34600 1 21 . 1 . 1 6 6 MET CG C 13 32.062 0.03 . . . . . . A 89 MET CG . 34600 1 22 . 1 . 1 6 6 MET N N 15 120.875 0.06 . . . . . . A 89 MET N . 34600 1 23 . 1 . 1 7 7 PRO HA H 1 4.388 0.00 . . . . . . A 90 PRO HA . 34600 1 24 . 1 . 1 7 7 PRO HB2 H 1 1.837 0.00 . . . . . . A 90 PRO HB2 . 34600 1 25 . 1 . 1 7 7 PRO HB3 H 1 2.241 0.01 . . . . . . A 90 PRO HB3 . 34600 1 26 . 1 . 1 7 7 PRO HG2 H 1 1.971 0.01 . . . . . . A 90 PRO HG2 . 34600 1 27 . 1 . 1 7 7 PRO HG3 H 1 1.971 0.01 . . . . . . A 90 PRO HG3 . 34600 1 28 . 1 . 1 7 7 PRO HD2 H 1 3.614 0.01 . . . . . . A 90 PRO HD2 . 34600 1 29 . 1 . 1 7 7 PRO HD3 H 1 3.809 0.00 . . . . . . A 90 PRO HD3 . 34600 1 30 . 1 . 1 7 7 PRO C C 13 176.834 0.01 . . . . . . A 90 PRO C . 34600 1 31 . 1 . 1 7 7 PRO CA C 13 63.076 0.14 . . . . . . A 90 PRO CA . 34600 1 32 . 1 . 1 7 7 PRO CB C 13 32.111 0.14 . . . . . . A 90 PRO CB . 34600 1 33 . 1 . 1 7 7 PRO CG C 13 27.472 0.08 . . . . . . A 90 PRO CG . 34600 1 34 . 1 . 1 7 7 PRO CD C 13 50.714 0.08 . . . . . . A 90 PRO CD . 34600 1 35 . 1 . 1 8 8 LEU H H 1 8.320 0.00 . . . . . . A 91 LEU H . 34600 1 36 . 1 . 1 8 8 LEU HA H 1 4.241 0.01 . . . . . . A 91 LEU HA . 34600 1 37 . 1 . 1 8 8 LEU C C 13 177.296 0.01 . . . . . . A 91 LEU C . 34600 1 38 . 1 . 1 8 8 LEU CA C 13 55.223 0.08 . . . . . . A 91 LEU CA . 34600 1 39 . 1 . 1 8 8 LEU CB C 13 42.368 0.11 . . . . . . A 91 LEU CB . 34600 1 40 . 1 . 1 8 8 LEU N N 15 122.248 0.06 . . . . . . A 91 LEU N . 34600 1 41 . 1 . 1 9 9 ASN H H 1 8.398 0.01 . . . . . . A 92 ASN H . 34600 1 42 . 1 . 1 9 9 ASN HA H 1 4.633 0.01 . . . . . . A 92 ASN HA . 34600 1 43 . 1 . 1 9 9 ASN HB2 H 1 2.752 0.00 . . . . . . A 92 ASN HB2 . 34600 1 44 . 1 . 1 9 9 ASN HB3 H 1 2.752 0.00 . . . . . . A 92 ASN HB3 . 34600 1 45 . 1 . 1 9 9 ASN C C 13 175.162 0.02 . . . . . . A 92 ASN C . 34600 1 46 . 1 . 1 9 9 ASN CA C 13 53.194 0.16 . . . . . . A 92 ASN CA . 34600 1 47 . 1 . 1 9 9 ASN CB C 13 38.648 0.17 . . . . . . A 92 ASN CB . 34600 1 48 . 1 . 1 9 9 ASN N N 15 119.005 0.13 . . . . . . A 92 ASN N . 34600 1 49 . 1 . 1 10 10 GLN H H 1 8.357 0.01 . . . . . . A 93 GLN H . 34600 1 50 . 1 . 1 10 10 GLN HA H 1 4.275 0.01 . . . . . . A 93 GLN HA . 34600 1 51 . 1 . 1 10 10 GLN HB2 H 1 1.919 0.00 . . . . . . A 93 GLN HB2 . 34600 1 52 . 1 . 1 10 10 GLN HB3 H 1 2.096 0.00 . . . . . . A 93 GLN HB3 . 34600 1 53 . 1 . 1 10 10 GLN HG2 H 1 2.301 0.00 . . . . . . A 93 GLN HG2 . 34600 1 54 . 1 . 1 10 10 GLN HG3 H 1 2.301 0.00 . . . . . . A 93 GLN HG3 . 34600 1 55 . 1 . 1 10 10 GLN C C 13 176.440 0.01 . . . . . . A 93 GLN C . 34600 1 56 . 1 . 1 10 10 GLN CA C 13 56.222 0.16 . . . . . . A 93 GLN CA . 34600 1 57 . 1 . 1 10 10 GLN CB C 13 29.370 0.12 . . . . . . A 93 GLN CB . 34600 1 58 . 1 . 1 10 10 GLN CG C 13 33.919 0.04 . . . . . . A 93 GLN CG . 34600 1 59 . 1 . 1 10 10 GLN N N 15 120.721 0.10 . . . . . . A 93 GLN N . 34600 1 60 . 1 . 1 11 11 GLY H H 1 8.385 0.01 . . . . . . A 94 GLY H . 34600 1 61 . 1 . 1 11 11 GLY HA2 H 1 3.884 0.00 . . . . . . A 94 GLY HA2 . 34600 1 62 . 1 . 1 11 11 GLY HA3 H 1 3.884 0.00 . . . . . . A 94 GLY HA3 . 34600 1 63 . 1 . 1 11 11 GLY C C 13 173.948 0.01 . . . . . . A 94 GLY C . 34600 1 64 . 1 . 1 11 11 GLY CA C 13 45.398 0.00 . . . . . . A 94 GLY CA . 34600 1 65 . 1 . 1 11 11 GLY N N 15 109.675 0.06 . . . . . . A 94 GLY N . 34600 1 66 . 1 . 1 12 12 ALA H H 1 8.035 0.00 . . . . . . A 95 ALA H . 34600 1 67 . 1 . 1 12 12 ALA HA H 1 4.242 0.00 . . . . . . A 95 ALA HA . 34600 1 68 . 1 . 1 12 12 ALA HB1 H 1 1.327 0.01 . . . . . . A 95 ALA HB1 . 34600 1 69 . 1 . 1 12 12 ALA HB2 H 1 1.327 0.01 . . . . . . A 95 ALA HB2 . 34600 1 70 . 1 . 1 12 12 ALA HB3 H 1 1.327 0.01 . . . . . . A 95 ALA HB3 . 34600 1 71 . 1 . 1 12 12 ALA C C 13 177.590 0.01 . . . . . . A 95 ALA C . 34600 1 72 . 1 . 1 12 12 ALA CA C 13 52.393 0.10 . . . . . . A 95 ALA CA . 34600 1 73 . 1 . 1 12 12 ALA CB C 13 19.129 0.09 . . . . . . A 95 ALA CB . 34600 1 74 . 1 . 1 12 12 ALA N N 15 123.791 0.07 . . . . . . A 95 ALA N . 34600 1 75 . 1 . 1 13 13 ALA H H 1 8.171 0.01 . . . . . . A 96 ALA H . 34600 1 76 . 1 . 1 13 13 ALA HA H 1 4.260 0.00 . . . . . . A 96 ALA HA . 34600 1 77 . 1 . 1 13 13 ALA HB1 H 1 1.338 0.01 . . . . . . A 96 ALA HB1 . 34600 1 78 . 1 . 1 13 13 ALA HB2 H 1 1.338 0.01 . . . . . . A 96 ALA HB2 . 34600 1 79 . 1 . 1 13 13 ALA HB3 H 1 1.338 0.01 . . . . . . A 96 ALA HB3 . 34600 1 80 . 1 . 1 13 13 ALA C C 13 177.649 0.02 . . . . . . A 96 ALA C . 34600 1 81 . 1 . 1 13 13 ALA CA C 13 52.396 0.08 . . . . . . A 96 ALA CA . 34600 1 82 . 1 . 1 13 13 ALA CB C 13 18.906 0.10 . . . . . . A 96 ALA CB . 34600 1 83 . 1 . 1 13 13 ALA N N 15 122.975 0.06 . . . . . . A 96 ALA N . 34600 1 84 . 1 . 1 14 14 LEU H H 1 8.084 0.01 . . . . . . A 97 LEU H . 34600 1 85 . 1 . 1 14 14 LEU HA H 1 4.268 0.02 . . . . . . A 97 LEU HA . 34600 1 86 . 1 . 1 14 14 LEU HB2 H 1 1.602 0.01 . . . . . . A 97 LEU HB2 . 34600 1 87 . 1 . 1 14 14 LEU HB3 H 1 1.512 0.01 . . . . . . A 97 LEU HB3 . 34600 1 88 . 1 . 1 14 14 LEU HD11 H 1 0.881 0.00 . . . . . . A 97 LEU HD11 . 34600 1 89 . 1 . 1 14 14 LEU HD12 H 1 0.881 0.00 . . . . . . A 97 LEU HD12 . 34600 1 90 . 1 . 1 14 14 LEU HD13 H 1 0.881 0.00 . . . . . . A 97 LEU HD13 . 34600 1 91 . 1 . 1 14 14 LEU HD21 H 1 0.840 0.01 . . . . . . A 97 LEU HD21 . 34600 1 92 . 1 . 1 14 14 LEU HD22 H 1 0.840 0.01 . . . . . . A 97 LEU HD22 . 34600 1 93 . 1 . 1 14 14 LEU HD23 H 1 0.840 0.01 . . . . . . A 97 LEU HD23 . 34600 1 94 . 1 . 1 14 14 LEU C C 13 177.853 0.02 . . . . . . A 97 LEU C . 34600 1 95 . 1 . 1 14 14 LEU CA C 13 55.246 0.09 . . . . . . A 97 LEU CA . 34600 1 96 . 1 . 1 14 14 LEU CB C 13 42.425 0.11 . . . . . . A 97 LEU CB . 34600 1 97 . 1 . 1 14 14 LEU CD1 C 13 24.360 0.07 . . . . . . A 97 LEU CD1 . 34600 1 98 . 1 . 1 14 14 LEU N N 15 120.962 0.08 . . . . . . A 97 LEU N . 34600 1 99 . 1 . 1 15 15 GLY H H 1 8.238 0.01 . . . . . . A 98 GLY H . 34600 1 100 . 1 . 1 15 15 GLY HA2 H 1 3.884 0.03 . . . . . . A 98 GLY HA2 . 34600 1 101 . 1 . 1 15 15 GLY HA3 H 1 3.884 0.03 . . . . . . A 98 GLY HA3 . 34600 1 102 . 1 . 1 15 15 GLY C C 13 173.820 0.01 . . . . . . A 98 GLY C . 34600 1 103 . 1 . 1 15 15 GLY CA C 13 45.255 0.12 . . . . . . A 98 GLY CA . 34600 1 104 . 1 . 1 15 15 GLY N N 15 109.176 0.06 . . . . . . A 98 GLY N . 34600 1 105 . 1 . 1 16 16 ILE H H 1 7.886 0.01 . . . . . . A 99 ILE H . 34600 1 106 . 1 . 1 16 16 ILE HA H 1 4.155 0.00 . . . . . . A 99 ILE HA . 34600 1 107 . 1 . 1 16 16 ILE HB H 1 1.792 0.02 . . . . . . A 99 ILE HB . 34600 1 108 . 1 . 1 16 16 ILE C C 13 175.775 0.01 . . . . . . A 99 ILE C . 34600 1 109 . 1 . 1 16 16 ILE CA C 13 60.795 0.15 . . . . . . A 99 ILE CA . 34600 1 110 . 1 . 1 16 16 ILE CB C 13 38.913 0.18 . . . . . . A 99 ILE CB . 34600 1 111 . 1 . 1 16 16 ILE N N 15 119.735 0.07 . . . . . . A 99 ILE N . 34600 1 112 . 1 . 1 17 17 ALA H H 1 8.348 0.00 . . . . . . A 100 ALA H . 34600 1 113 . 1 . 1 17 17 ALA HA H 1 4.469 0.01 . . . . . . A 100 ALA HA . 34600 1 114 . 1 . 1 17 17 ALA HB1 H 1 1.323 0.01 . . . . . . A 100 ALA HB1 . 34600 1 115 . 1 . 1 17 17 ALA HB2 H 1 1.323 0.01 . . . . . . A 100 ALA HB2 . 34600 1 116 . 1 . 1 17 17 ALA HB3 H 1 1.323 0.01 . . . . . . A 100 ALA HB3 . 34600 1 117 . 1 . 1 17 17 ALA C C 13 177.569 0.01 . . . . . . A 100 ALA C . 34600 1 118 . 1 . 1 17 17 ALA CA C 13 52.150 0.09 . . . . . . A 100 ALA CA . 34600 1 119 . 1 . 1 17 17 ALA CB C 13 19.378 0.08 . . . . . . A 100 ALA CB . 34600 1 120 . 1 . 1 17 17 ALA N N 15 128.068 0.16 . . . . . . A 100 ALA N . 34600 1 121 . 1 . 1 18 18 THR H H 1 8.206 0.00 . . . . . . A 101 THR H . 34600 1 122 . 1 . 1 18 18 THR HA H 1 4.347 0.00 . . . . . . A 101 THR HA . 34600 1 123 . 1 . 1 18 18 THR HB H 1 4.152 0.01 . . . . . . A 101 THR HB . 34600 1 124 . 1 . 1 18 18 THR HG21 H 1 1.146 0.01 . . . . . . A 101 THR HG21 . 34600 1 125 . 1 . 1 18 18 THR HG22 H 1 1.146 0.01 . . . . . . A 101 THR HG22 . 34600 1 126 . 1 . 1 18 18 THR HG23 H 1 1.146 0.01 . . . . . . A 101 THR HG23 . 34600 1 127 . 1 . 1 18 18 THR C C 13 174.185 0.00 . . . . . . A 101 THR C . 34600 1 128 . 1 . 1 18 18 THR CA C 13 61.552 0.00 . . . . . . A 101 THR CA . 34600 1 129 . 1 . 1 18 18 THR CB C 13 70.132 0.19 . . . . . . A 101 THR CB . 34600 1 130 . 1 . 1 18 18 THR CG2 C 13 21.603 0.08 . . . . . . A 101 THR CG2 . 34600 1 131 . 1 . 1 18 18 THR N N 15 114.568 0.06 . . . . . . A 101 THR N . 34600 1 132 . 1 . 1 19 19 VAL H H 1 8.095 0.00 . . . . . . A 102 VAL H . 34600 1 133 . 1 . 1 19 19 VAL HA H 1 4.335 0.00 . . . . . . A 102 VAL HA . 34600 1 134 . 1 . 1 19 19 VAL HB H 1 1.958 0.01 . . . . . . A 102 VAL HB . 34600 1 135 . 1 . 1 19 19 VAL HG11 H 1 0.853 0.00 . . . . . . A 102 VAL HG11 . 34600 1 136 . 1 . 1 19 19 VAL HG12 H 1 0.853 0.00 . . . . . . A 102 VAL HG12 . 34600 1 137 . 1 . 1 19 19 VAL HG13 H 1 0.853 0.00 . . . . . . A 102 VAL HG13 . 34600 1 138 . 1 . 1 19 19 VAL C C 13 175.992 0.01 . . . . . . A 102 VAL C . 34600 1 139 . 1 . 1 19 19 VAL CA C 13 61.445 0.09 . . . . . . A 102 VAL CA . 34600 1 140 . 1 . 1 19 19 VAL CB C 13 33.212 0.18 . . . . . . A 102 VAL CB . 34600 1 141 . 1 . 1 19 19 VAL N N 15 121.113 0.02 . . . . . . A 102 VAL N . 34600 1 142 . 1 . 1 20 20 ASP H H 1 8.395 0.01 . . . . . . A 103 ASP H . 34600 1 143 . 1 . 1 20 20 ASP HA H 1 4.578 0.00 . . . . . . A 103 ASP HA . 34600 1 144 . 1 . 1 20 20 ASP HB2 H 1 2.881 0.02 . . . . . . A 103 ASP HB2 . 34600 1 145 . 1 . 1 20 20 ASP HB3 H 1 2.644 0.01 . . . . . . A 103 ASP HB3 . 34600 1 146 . 1 . 1 20 20 ASP C C 13 177.036 0.00 . . . . . . A 103 ASP C . 34600 1 147 . 1 . 1 20 20 ASP CA C 13 53.514 0.09 . . . . . . A 103 ASP CA . 34600 1 148 . 1 . 1 20 20 ASP CB C 13 41.382 0.11 . . . . . . A 103 ASP CB . 34600 1 149 . 1 . 1 20 20 ASP N N 15 124.280 0.06 . . . . . . A 103 ASP N . 34600 1 150 . 1 . 1 21 21 ALA H H 1 8.257 0.01 . . . . . . A 104 ALA H . 34600 1 151 . 1 . 1 21 21 ALA HA H 1 4.145 0.01 . . . . . . A 104 ALA HA . 34600 1 152 . 1 . 1 21 21 ALA HB1 H 1 1.379 0.00 . . . . . . A 104 ALA HB1 . 34600 1 153 . 1 . 1 21 21 ALA HB2 H 1 1.379 0.00 . . . . . . A 104 ALA HB2 . 34600 1 154 . 1 . 1 21 21 ALA HB3 H 1 1.379 0.00 . . . . . . A 104 ALA HB3 . 34600 1 155 . 1 . 1 21 21 ALA C C 13 178.409 0.01 . . . . . . A 104 ALA C . 34600 1 156 . 1 . 1 21 21 ALA CA C 13 53.604 0.10 . . . . . . A 104 ALA CA . 34600 1 157 . 1 . 1 21 21 ALA CB C 13 18.658 0.06 . . . . . . A 104 ALA CB . 34600 1 158 . 1 . 1 21 21 ALA N N 15 122.751 0.06 . . . . . . A 104 ALA N . 34600 1 159 . 1 . 1 22 22 GLN H H 1 8.199 0.01 . . . . . . A 105 GLN H . 34600 1 160 . 1 . 1 22 22 GLN HA H 1 4.270 0.00 . . . . . . A 105 GLN HA . 34600 1 161 . 1 . 1 22 22 GLN HB2 H 1 2.172 0.01 . . . . . . A 105 GLN HB2 . 34600 1 162 . 1 . 1 22 22 GLN HB3 H 1 2.172 0.01 . . . . . . A 105 GLN HB3 . 34600 1 163 . 1 . 1 22 22 GLN HG2 H 1 2.022 0.01 . . . . . . A 105 GLN HG2 . 34600 1 164 . 1 . 1 22 22 GLN HG3 H 1 2.314 0.01 . . . . . . A 105 GLN HG3 . 34600 1 165 . 1 . 1 22 22 GLN C C 13 176.606 0.01 . . . . . . A 105 GLN C . 34600 1 166 . 1 . 1 22 22 GLN CA C 13 56.028 0.18 . . . . . . A 105 GLN CA . 34600 1 167 . 1 . 1 22 22 GLN CB C 13 28.966 0.11 . . . . . . A 105 GLN CB . 34600 1 168 . 1 . 1 22 22 GLN N N 15 117.076 0.07 . . . . . . A 105 GLN N . 34600 1 169 . 1 . 1 23 23 GLY H H 1 8.193 0.02 . . . . . . A 106 GLY H . 34600 1 170 . 1 . 1 23 23 GLY HA2 H 1 3.904 0.00 . . . . . . A 106 GLY HA2 . 34600 1 171 . 1 . 1 23 23 GLY HA3 H 1 3.904 0.00 . . . . . . A 106 GLY HA3 . 34600 1 172 . 1 . 1 23 23 GLY C C 13 174.245 0.02 . . . . . . A 106 GLY C . 34600 1 173 . 1 . 1 23 23 GLY CA C 13 45.492 0.10 . . . . . . A 106 GLY CA . 34600 1 174 . 1 . 1 23 23 GLY N N 15 108.857 0.09 . . . . . . A 106 GLY N . 34600 1 175 . 1 . 1 24 24 ARG H H 1 8.189 0.01 . . . . . . A 107 ARG H . 34600 1 176 . 1 . 1 24 24 ARG HA H 1 4.301 0.00 . . . . . . A 107 ARG HA . 34600 1 177 . 1 . 1 24 24 ARG HB2 H 1 1.775 0.01 . . . . . . A 107 ARG HB2 . 34600 1 178 . 1 . 1 24 24 ARG HB3 H 1 1.775 0.01 . . . . . . A 107 ARG HB3 . 34600 1 179 . 1 . 1 24 24 ARG HG2 H 1 1.573 0.00 . . . . . . A 107 ARG HG2 . 34600 1 180 . 1 . 1 24 24 ARG HG3 H 1 1.573 0.00 . . . . . . A 107 ARG HG3 . 34600 1 181 . 1 . 1 24 24 ARG HD2 H 1 3.137 0.01 . . . . . . A 107 ARG HD2 . 34600 1 182 . 1 . 1 24 24 ARG HD3 H 1 3.137 0.01 . . . . . . A 107 ARG HD3 . 34600 1 183 . 1 . 1 24 24 ARG HE H 1 7.378 0.00 . . . . . . A 107 ARG HE . 34600 1 184 . 1 . 1 24 24 ARG C C 13 176.288 0.01 . . . . . . A 107 ARG C . 34600 1 185 . 1 . 1 24 24 ARG CA C 13 55.987 0.12 . . . . . . A 107 ARG CA . 34600 1 186 . 1 . 1 24 24 ARG CB C 13 30.638 0.13 . . . . . . A 107 ARG CB . 34600 1 187 . 1 . 1 24 24 ARG CG C 13 27.220 0.05 . . . . . . A 107 ARG CG . 34600 1 188 . 1 . 1 24 24 ARG CD C 13 43.308 0.11 . . . . . . A 107 ARG CD . 34600 1 189 . 1 . 1 24 24 ARG N N 15 121.008 0.08 . . . . . . A 107 ARG N . 34600 1 190 . 1 . 1 24 24 ARG NE N 15 87.584 0.03 . . . . . . A 107 ARG NE . 34600 1 191 . 1 . 1 25 25 ILE H H 1 8.181 0.00 . . . . . . A 108 ILE H . 34600 1 192 . 1 . 1 25 25 ILE HA H 1 4.162 0.00 . . . . . . A 108 ILE HA . 34600 1 193 . 1 . 1 25 25 ILE HB H 1 1.757 0.00 . . . . . . A 108 ILE HB . 34600 1 194 . 1 . 1 25 25 ILE HG13 H 1 1.481 0.00 . . . . . . A 108 ILE HG13 . 34600 1 195 . 1 . 1 25 25 ILE C C 13 176.166 0.01 . . . . . . A 108 ILE C . 34600 1 196 . 1 . 1 25 25 ILE CA C 13 61.237 0.15 . . . . . . A 108 ILE CA . 34600 1 197 . 1 . 1 25 25 ILE CB C 13 38.466 0.18 . . . . . . A 108 ILE CB . 34600 1 198 . 1 . 1 25 25 ILE N N 15 122.519 0.05 . . . . . . A 108 ILE N . 34600 1 199 . 1 . 1 26 26 GLN H H 1 8.463 0.00 . . . . . . A 109 GLN H . 34600 1 200 . 1 . 1 26 26 GLN HA H 1 4.370 0.01 . . . . . . A 109 GLN HA . 34600 1 201 . 1 . 1 26 26 GLN C C 13 175.330 0.01 . . . . . . A 109 GLN C . 34600 1 202 . 1 . 1 26 26 GLN CA C 13 55.170 0.08 . . . . . . A 109 GLN CA . 34600 1 203 . 1 . 1 26 26 GLN CB C 13 29.834 0.16 . . . . . . A 109 GLN CB . 34600 1 204 . 1 . 1 26 26 GLN N N 15 125.536 0.06 . . . . . . A 109 GLN N . 34600 1 205 . 1 . 1 27 27 ILE H H 1 8.272 0.00 . . . . . . A 110 ILE H . 34600 1 206 . 1 . 1 27 27 ILE HA H 1 4.179 0.01 . . . . . . A 110 ILE HA . 34600 1 207 . 1 . 1 27 27 ILE HB H 1 1.784 0.01 . . . . . . A 110 ILE HB . 34600 1 208 . 1 . 1 27 27 ILE C C 13 176.257 0.02 . . . . . . A 110 ILE C . 34600 1 209 . 1 . 1 27 27 ILE CA C 13 60.973 0.17 . . . . . . A 110 ILE CA . 34600 1 210 . 1 . 1 27 27 ILE CB C 13 38.306 0.16 . . . . . . A 110 ILE CB . 34600 1 211 . 1 . 1 27 27 ILE N N 15 123.627 0.06 . . . . . . A 110 ILE N . 34600 1 212 . 1 . 1 28 28 VAL H H 1 8.259 0.00 . . . . . . A 111 VAL H . 34600 1 213 . 1 . 1 28 28 VAL HA H 1 4.079 0.01 . . . . . . A 111 VAL HA . 34600 1 214 . 1 . 1 28 28 VAL HB H 1 1.991 0.01 . . . . . . A 111 VAL HB . 34600 1 215 . 1 . 1 28 28 VAL HG11 H 1 0.860 0.00 . . . . . . A 111 VAL HG11 . 34600 1 216 . 1 . 1 28 28 VAL HG12 H 1 0.860 0.00 . . . . . . A 111 VAL HG12 . 34600 1 217 . 1 . 1 28 28 VAL HG13 H 1 0.860 0.00 . . . . . . A 111 VAL HG13 . 34600 1 218 . 1 . 1 28 28 VAL C C 13 175.709 0.01 . . . . . . A 111 VAL C . 34600 1 219 . 1 . 1 28 28 VAL CA C 13 62.134 0.12 . . . . . . A 111 VAL CA . 34600 1 220 . 1 . 1 28 28 VAL CB C 13 32.858 0.12 . . . . . . A 111 VAL CB . 34600 1 221 . 1 . 1 28 28 VAL CG1 C 13 20.906 0.06 . . . . . . A 111 VAL CG1 . 34600 1 222 . 1 . 1 28 28 VAL N N 15 124.878 0.06 . . . . . . A 111 VAL N . 34600 1 223 . 1 . 1 29 29 ASN H H 1 8.500 0.01 . . . . . . A 112 ASN H . 34600 1 224 . 1 . 1 29 29 ASN HA H 1 4.656 0.00 . . . . . . A 112 ASN HA . 34600 1 225 . 1 . 1 29 29 ASN HB2 H 1 2.697 0.00 . . . . . . A 112 ASN HB2 . 34600 1 226 . 1 . 1 29 29 ASN HB3 H 1 2.792 0.00 . . . . . . A 112 ASN HB3 . 34600 1 227 . 1 . 1 29 29 ASN C C 13 175.132 0.01 . . . . . . A 112 ASN C . 34600 1 228 . 1 . 1 29 29 ASN CA C 13 53.196 0.16 . . . . . . A 112 ASN CA . 34600 1 229 . 1 . 1 29 29 ASN CB C 13 38.799 0.13 . . . . . . A 112 ASN CB . 34600 1 230 . 1 . 1 29 29 ASN N N 15 122.715 0.06 . . . . . . A 112 ASN N . 34600 1 231 . 1 . 1 30 30 GLN H H 1 8.413 0.00 . . . . . . A 113 GLN H . 34600 1 232 . 1 . 1 30 30 GLN HA H 1 4.250 0.00 . . . . . . A 113 GLN HA . 34600 1 233 . 1 . 1 30 30 GLN C C 13 175.607 0.00 . . . . . . A 113 GLN C . 34600 1 234 . 1 . 1 30 30 GLN CA C 13 55.936 0.13 . . . . . . A 113 GLN CA . 34600 1 235 . 1 . 1 30 30 GLN CB C 13 29.339 0.14 . . . . . . A 113 GLN CB . 34600 1 236 . 1 . 1 30 30 GLN N N 15 121.078 0.06 . . . . . . A 113 GLN N . 34600 1 237 . 1 . 1 31 31 ASN H H 1 8.405 0.01 . . . . . . A 114 ASN H . 34600 1 238 . 1 . 1 31 31 ASN HA H 1 4.618 0.00 . . . . . . A 114 ASN HA . 34600 1 239 . 1 . 1 31 31 ASN C C 13 174.630 0.03 . . . . . . A 114 ASN C . 34600 1 240 . 1 . 1 31 31 ASN CA C 13 53.172 0.15 . . . . . . A 114 ASN CA . 34600 1 241 . 1 . 1 31 31 ASN CB C 13 38.559 0.00 . . . . . . A 114 ASN CB . 34600 1 242 . 1 . 1 31 31 ASN N N 15 119.415 0.07 . . . . . . A 114 ASN N . 34600 1 243 . 1 . 1 32 32 LYS H H 1 8.085 0.01 . . . . . . A 115 LYS H . 34600 1 244 . 1 . 1 32 32 LYS HA H 1 4.555 0.00 . . . . . . A 115 LYS HA . 34600 1 245 . 1 . 1 32 32 LYS HB2 H 1 1.655 0.01 . . . . . . A 115 LYS HB2 . 34600 1 246 . 1 . 1 32 32 LYS HB3 H 1 1.776 0.01 . . . . . . A 115 LYS HB3 . 34600 1 247 . 1 . 1 32 32 LYS HG2 H 1 1.385 0.00 . . . . . . A 115 LYS HG2 . 34600 1 248 . 1 . 1 32 32 LYS HG3 H 1 1.419 0.01 . . . . . . A 115 LYS HG3 . 34600 1 249 . 1 . 1 32 32 LYS HD2 H 1 1.646 0.00 . . . . . . A 115 LYS HD2 . 34600 1 250 . 1 . 1 32 32 LYS HD3 H 1 1.646 0.00 . . . . . . A 115 LYS HD3 . 34600 1 251 . 1 . 1 32 32 LYS HE2 H 1 2.949 0.00 . . . . . . A 115 LYS HE2 . 34600 1 252 . 1 . 1 32 32 LYS HE3 H 1 2.949 0.00 . . . . . . A 115 LYS HE3 . 34600 1 253 . 1 . 1 32 32 LYS C C 13 174.198 0.00 . . . . . . A 115 LYS C . 34600 1 254 . 1 . 1 32 32 LYS CA C 13 54.237 0.06 . . . . . . A 115 LYS CA . 34600 1 255 . 1 . 1 32 32 LYS CB C 13 32.680 0.10 . . . . . . A 115 LYS CB . 34600 1 256 . 1 . 1 32 32 LYS CG C 13 24.597 0.05 . . . . . . A 115 LYS CG . 34600 1 257 . 1 . 1 32 32 LYS CD C 13 29.182 0.07 . . . . . . A 115 LYS CD . 34600 1 258 . 1 . 1 32 32 LYS CE C 13 42.014 0.02 . . . . . . A 115 LYS CE . 34600 1 259 . 1 . 1 32 32 LYS N N 15 122.566 0.05 . . . . . . A 115 LYS N . 34600 1 260 . 1 . 1 33 33 PRO HD2 H 1 3.592 0.00 . . . . . . A 116 PRO HD2 . 34600 1 261 . 1 . 1 33 33 PRO HD3 H 1 3.766 0.01 . . . . . . A 116 PRO HD3 . 34600 1 262 . 1 . 1 33 33 PRO C C 13 176.793 0.01 . . . . . . A 116 PRO C . 34600 1 263 . 1 . 1 33 33 PRO CA C 13 62.847 0.12 . . . . . . A 116 PRO CA . 34600 1 264 . 1 . 1 33 33 PRO CB C 13 31.935 0.19 . . . . . . A 116 PRO CB . 34600 1 265 . 1 . 1 33 33 PRO CD C 13 50.660 0.06 . . . . . . A 116 PRO CD . 34600 1 266 . 1 . 1 34 34 ILE H H 1 8.190 0.01 . . . . . . A 117 ILE H . 34600 1 267 . 1 . 1 34 34 ILE HA H 1 4.057 0.00 . . . . . . A 117 ILE HA . 34600 1 268 . 1 . 1 34 34 ILE C C 13 176.100 0.03 . . . . . . A 117 ILE C . 34600 1 269 . 1 . 1 34 34 ILE CA C 13 60.976 0.17 . . . . . . A 117 ILE CA . 34600 1 270 . 1 . 1 34 34 ILE CB C 13 38.754 0.16 . . . . . . A 117 ILE CB . 34600 1 271 . 1 . 1 34 34 ILE N N 15 121.376 0.10 . . . . . . A 117 ILE N . 34600 1 272 . 1 . 1 35 35 ALA H H 1 8.301 0.01 . . . . . . A 118 ALA H . 34600 1 273 . 1 . 1 35 35 ALA HA H 1 4.265 0.01 . . . . . . A 118 ALA HA . 34600 1 274 . 1 . 1 35 35 ALA HB1 H 1 1.333 0.00 . . . . . . A 118 ALA HB1 . 34600 1 275 . 1 . 1 35 35 ALA HB2 H 1 1.333 0.00 . . . . . . A 118 ALA HB2 . 34600 1 276 . 1 . 1 35 35 ALA HB3 H 1 1.333 0.00 . . . . . . A 118 ALA HB3 . 34600 1 277 . 1 . 1 35 35 ALA C C 13 177.329 0.01 . . . . . . A 118 ALA C . 34600 1 278 . 1 . 1 35 35 ALA CA C 13 52.148 0.09 . . . . . . A 118 ALA CA . 34600 1 279 . 1 . 1 35 35 ALA CB C 13 19.113 0.09 . . . . . . A 118 ALA CB . 34600 1 280 . 1 . 1 35 35 ALA N N 15 128.411 0.06 . . . . . . A 118 ALA N . 34600 1 281 . 1 . 1 36 36 ALA H H 1 8.259 0.01 . . . . . . A 119 ALA H . 34600 1 282 . 1 . 1 36 36 ALA HA H 1 4.195 0.00 . . . . . . A 119 ALA HA . 34600 1 283 . 1 . 1 36 36 ALA HB1 H 1 1.344 0.01 . . . . . . A 119 ALA HB1 . 34600 1 284 . 1 . 1 36 36 ALA HB2 H 1 1.344 0.01 . . . . . . A 119 ALA HB2 . 34600 1 285 . 1 . 1 36 36 ALA HB3 H 1 1.344 0.01 . . . . . . A 119 ALA HB3 . 34600 1 286 . 1 . 1 36 36 ALA C C 13 177.507 0.02 . . . . . . A 119 ALA C . 34600 1 287 . 1 . 1 36 36 ALA CA C 13 52.442 0.09 . . . . . . A 119 ALA CA . 34600 1 288 . 1 . 1 36 36 ALA CB C 13 19.080 0.09 . . . . . . A 119 ALA CB . 34600 1 289 . 1 . 1 36 36 ALA N N 15 123.650 0.04 . . . . . . A 119 ALA N . 34600 1 290 . 1 . 1 37 37 ASN H H 1 8.347 0.00 . . . . . . A 120 ASN H . 34600 1 291 . 1 . 1 37 37 ASN HA H 1 4.695 0.00 . . . . . . A 120 ASN HA . 34600 1 292 . 1 . 1 37 37 ASN HB2 H 1 2.772 0.00 . . . . . . A 120 ASN HB2 . 34600 1 293 . 1 . 1 37 37 ASN HB3 H 1 2.772 0.00 . . . . . . A 120 ASN HB3 . 34600 1 294 . 1 . 1 37 37 ASN C C 13 175.356 0.01 . . . . . . A 120 ASN C . 34600 1 295 . 1 . 1 37 37 ASN CA C 13 53.164 0.13 . . . . . . A 120 ASN CA . 34600 1 296 . 1 . 1 37 37 ASN CB C 13 38.635 0.16 . . . . . . A 120 ASN CB . 34600 1 297 . 1 . 1 37 37 ASN N N 15 117.388 0.08 . . . . . . A 120 ASN N . 34600 1 298 . 1 . 1 38 38 THR H H 1 8.012 0.01 . . . . . . A 121 THR H . 34600 1 299 . 1 . 1 38 38 THR HA H 1 4.295 0.00 . . . . . . A 121 THR HA . 34600 1 300 . 1 . 1 38 38 THR HB H 1 4.173 0.00 . . . . . . A 121 THR HB . 34600 1 301 . 1 . 1 38 38 THR HG21 H 1 1.143 0.01 . . . . . . A 121 THR HG21 . 34600 1 302 . 1 . 1 38 38 THR HG22 H 1 1.143 0.01 . . . . . . A 121 THR HG22 . 34600 1 303 . 1 . 1 38 38 THR HG23 H 1 1.143 0.01 . . . . . . A 121 THR HG23 . 34600 1 304 . 1 . 1 38 38 THR C C 13 174.538 0.05 . . . . . . A 121 THR C . 34600 1 305 . 1 . 1 38 38 THR CA C 13 61.909 0.14 . . . . . . A 121 THR CA . 34600 1 306 . 1 . 1 38 38 THR CB C 13 69.697 0.05 . . . . . . A 121 THR CB . 34600 1 307 . 1 . 1 38 38 THR N N 15 114.298 0.07 . . . . . . A 121 THR N . 34600 1 308 . 1 . 1 39 39 ILE H H 1 8.103 0.01 . . . . . . A 122 ILE H . 34600 1 309 . 1 . 1 39 39 ILE HA H 1 4.168 0.00 . . . . . . A 122 ILE HA . 34600 1 310 . 1 . 1 39 39 ILE HB H 1 1.847 0.00 . . . . . . A 122 ILE HB . 34600 1 311 . 1 . 1 39 39 ILE C C 13 176.135 0.01 . . . . . . A 122 ILE C . 34600 1 312 . 1 . 1 39 39 ILE CA C 13 61.135 0.15 . . . . . . A 122 ILE CA . 34600 1 313 . 1 . 1 39 39 ILE CB C 13 38.656 0.24 . . . . . . A 122 ILE CB . 34600 1 314 . 1 . 1 39 39 ILE N N 15 122.968 0.10 . . . . . . A 122 ILE N . 34600 1 315 . 1 . 1 40 40 SER H H 1 8.303 0.00 . . . . . . A 123 SER H . 34600 1 316 . 1 . 1 40 40 SER HA H 1 4.429 0.00 . . . . . . A 123 SER HA . 34600 1 317 . 1 . 1 40 40 SER HB2 H 1 3.708 0.00 . . . . . . A 123 SER HB2 . 34600 1 318 . 1 . 1 40 40 SER HB3 H 1 3.779 0.00 . . . . . . A 123 SER HB3 . 34600 1 319 . 1 . 1 40 40 SER C C 13 174.124 0.00 . . . . . . A 123 SER C . 34600 1 320 . 1 . 1 40 40 SER CA C 13 58.010 0.11 . . . . . . A 123 SER CA . 34600 1 321 . 1 . 1 40 40 SER CB C 13 63.826 0.13 . . . . . . A 123 SER CB . 34600 1 322 . 1 . 1 40 40 SER N N 15 119.532 0.03 . . . . . . A 123 SER N . 34600 1 323 . 1 . 1 41 41 ASN H H 1 8.357 0.01 . . . . . . A 124 ASN H . 34600 1 324 . 1 . 1 41 41 ASN HA H 1 4.683 0.01 . . . . . . A 124 ASN HA . 34600 1 325 . 1 . 1 41 41 ASN HB2 H 1 2.712 0.00 . . . . . . A 124 ASN HB2 . 34600 1 326 . 1 . 1 41 41 ASN HB3 H 1 2.712 0.00 . . . . . . A 124 ASN HB3 . 34600 1 327 . 1 . 1 41 41 ASN C C 13 174.573 0.01 . . . . . . A 124 ASN C . 34600 1 328 . 1 . 1 41 41 ASN CA C 13 53.048 0.00 . . . . . . A 124 ASN CA . 34600 1 329 . 1 . 1 41 41 ASN CB C 13 38.583 0.00 . . . . . . A 124 ASN CB . 34600 1 330 . 1 . 1 41 41 ASN N N 15 121.058 0.04 . . . . . . A 124 ASN N . 34600 1 331 . 1 . 1 42 42 ILE H H 1 7.923 0.01 . . . . . . A 125 ILE H . 34600 1 332 . 1 . 1 42 42 ILE HA H 1 4.092 0.01 . . . . . . A 125 ILE HA . 34600 1 333 . 1 . 1 42 42 ILE HB H 1 1.723 0.01 . . . . . . A 125 ILE HB . 34600 1 334 . 1 . 1 42 42 ILE HG12 H 1 0.988 0.01 . . . . . . A 125 ILE HG12 . 34600 1 335 . 1 . 1 42 42 ILE HG13 H 1 1.284 0.01 . . . . . . A 125 ILE HG13 . 34600 1 336 . 1 . 1 42 42 ILE HG21 H 1 0.642 0.00 . . . . . . A 125 ILE HG21 . 34600 1 337 . 1 . 1 42 42 ILE HG22 H 1 0.642 0.00 . . . . . . A 125 ILE HG22 . 34600 1 338 . 1 . 1 42 42 ILE HG23 H 1 0.642 0.00 . . . . . . A 125 ILE HG23 . 34600 1 339 . 1 . 1 42 42 ILE HD11 H 1 0.769 0.01 . . . . . . A 125 ILE HD11 . 34600 1 340 . 1 . 1 42 42 ILE HD12 H 1 0.769 0.01 . . . . . . A 125 ILE HD12 . 34600 1 341 . 1 . 1 42 42 ILE HD13 H 1 0.769 0.01 . . . . . . A 125 ILE HD13 . 34600 1 342 . 1 . 1 42 42 ILE C C 13 175.039 0.01 . . . . . . A 125 ILE C . 34600 1 343 . 1 . 1 42 42 ILE CA C 13 60.899 0.13 . . . . . . A 125 ILE CA . 34600 1 344 . 1 . 1 42 42 ILE CB C 13 38.811 0.15 . . . . . . A 125 ILE CB . 34600 1 345 . 1 . 1 42 42 ILE CG1 C 13 27.072 0.22 . . . . . . A 125 ILE CG1 . 34600 1 346 . 1 . 1 42 42 ILE CG2 C 13 17.741 0.04 . . . . . . A 125 ILE CG2 . 34600 1 347 . 1 . 1 42 42 ILE CD1 C 13 13.061 0.08 . . . . . . A 125 ILE CD1 . 34600 1 348 . 1 . 1 42 42 ILE N N 15 120.410 0.08 . . . . . . A 125 ILE N . 34600 1 349 . 1 . 1 43 43 SER H H 1 7.691 0.00 . . . . . . A 126 SER H . 34600 1 350 . 1 . 1 43 43 SER HA H 1 4.436 0.00 . . . . . . A 126 SER HA . 34600 1 351 . 1 . 1 43 43 SER HB2 H 1 3.504 0.01 . . . . . . A 126 SER HB2 . 34600 1 352 . 1 . 1 43 43 SER HB3 H 1 3.504 0.01 . . . . . . A 126 SER HB3 . 34600 1 353 . 1 . 1 43 43 SER C C 13 172.520 0.00 . . . . . . A 126 SER C . 34600 1 354 . 1 . 1 43 43 SER CA C 13 57.395 0.13 . . . . . . A 126 SER CA . 34600 1 355 . 1 . 1 43 43 SER CB C 13 64.981 0.10 . . . . . . A 126 SER CB . 34600 1 356 . 1 . 1 43 43 SER N N 15 118.187 0.08 . . . . . . A 126 SER N . 34600 1 357 . 1 . 1 44 44 PHE H H 1 8.766 0.01 . . . . . . A 127 PHE H . 34600 1 358 . 1 . 1 44 44 PHE HA H 1 4.592 0.01 . . . . . . A 127 PHE HA . 34600 1 359 . 1 . 1 44 44 PHE HB2 H 1 3.009 0.02 . . . . . . A 127 PHE HB2 . 34600 1 360 . 1 . 1 44 44 PHE HB3 H 1 2.837 0.01 . . . . . . A 127 PHE HB3 . 34600 1 361 . 1 . 1 44 44 PHE HD1 H 1 7.089 0.01 . . . . . . A 127 PHE HD1 . 34600 1 362 . 1 . 1 44 44 PHE HD2 H 1 7.089 0.01 . . . . . . A 127 PHE HD2 . 34600 1 363 . 1 . 1 44 44 PHE HE1 H 1 7.309 0.01 . . . . . . A 127 PHE HE1 . 34600 1 364 . 1 . 1 44 44 PHE HE2 H 1 7.309 0.01 . . . . . . A 127 PHE HE2 . 34600 1 365 . 1 . 1 44 44 PHE C C 13 174.364 0.02 . . . . . . A 127 PHE C . 34600 1 366 . 1 . 1 44 44 PHE CA C 13 57.439 0.13 . . . . . . A 127 PHE CA . 34600 1 367 . 1 . 1 44 44 PHE CB C 13 40.493 0.17 . . . . . . A 127 PHE CB . 34600 1 368 . 1 . 1 44 44 PHE CD1 C 13 129.086 0.14 . . . . . . A 127 PHE CD1 . 34600 1 369 . 1 . 1 44 44 PHE CE1 C 13 129.212 0.00 . . . . . . A 127 PHE CE1 . 34600 1 370 . 1 . 1 44 44 PHE N N 15 121.577 0.07 . . . . . . A 127 PHE N . 34600 1 371 . 1 . 1 45 45 LYS H H 1 8.640 0.00 . . . . . . A 128 LYS H . 34600 1 372 . 1 . 1 45 45 LYS HA H 1 4.918 0.01 . . . . . . A 128 LYS HA . 34600 1 373 . 1 . 1 45 45 LYS HB2 H 1 1.535 0.01 . . . . . . A 128 LYS HB2 . 34600 1 374 . 1 . 1 45 45 LYS HB3 H 1 1.753 0.01 . . . . . . A 128 LYS HB3 . 34600 1 375 . 1 . 1 45 45 LYS HG2 H 1 1.252 0.01 . . . . . . A 128 LYS HG2 . 34600 1 376 . 1 . 1 45 45 LYS HG3 H 1 1.252 0.01 . . . . . . A 128 LYS HG3 . 34600 1 377 . 1 . 1 45 45 LYS HD2 H 1 1.584 0.01 . . . . . . A 128 LYS HD2 . 34600 1 378 . 1 . 1 45 45 LYS HD3 H 1 1.584 0.01 . . . . . . A 128 LYS HD3 . 34600 1 379 . 1 . 1 45 45 LYS HE2 H 1 2.915 0.01 . . . . . . A 128 LYS HE2 . 34600 1 380 . 1 . 1 45 45 LYS HE3 H 1 2.915 0.01 . . . . . . A 128 LYS HE3 . 34600 1 381 . 1 . 1 45 45 LYS C C 13 175.709 0.00 . . . . . . A 128 LYS C . 34600 1 382 . 1 . 1 45 45 LYS CA C 13 55.228 0.11 . . . . . . A 128 LYS CA . 34600 1 383 . 1 . 1 45 45 LYS CB C 13 35.629 0.11 . . . . . . A 128 LYS CB . 34600 1 384 . 1 . 1 45 45 LYS CG C 13 24.535 0.07 . . . . . . A 128 LYS CG . 34600 1 385 . 1 . 1 45 45 LYS CD C 13 29.554 0.13 . . . . . . A 128 LYS CD . 34600 1 386 . 1 . 1 45 45 LYS CE C 13 41.787 0.01 . . . . . . A 128 LYS CE . 34600 1 387 . 1 . 1 45 45 LYS N N 15 125.333 0.06 . . . . . . A 128 LYS N . 34600 1 388 . 1 . 1 46 46 CYS H H 1 9.111 0.01 . . . . . . A 129 CYS H . 34600 1 389 . 1 . 1 46 46 CYS HA H 1 4.345 0.01 . . . . . . A 129 CYS HA . 34600 1 390 . 1 . 1 46 46 CYS HB2 H 1 3.359 0.01 . . . . . . A 129 CYS HB2 . 34600 1 391 . 1 . 1 46 46 CYS HB3 H 1 2.767 0.01 . . . . . . A 129 CYS HB3 . 34600 1 392 . 1 . 1 46 46 CYS C C 13 175.703 0.01 . . . . . . A 129 CYS C . 34600 1 393 . 1 . 1 46 46 CYS CA C 13 60.797 0.11 . . . . . . A 129 CYS CA . 34600 1 394 . 1 . 1 46 46 CYS CB C 13 29.431 0.11 . . . . . . A 129 CYS CB . 34600 1 395 . 1 . 1 46 46 CYS N N 15 128.229 0.06 . . . . . . A 129 CYS N . 34600 1 396 . 1 . 1 47 47 ASP H H 1 8.978 0.01 . . . . . . A 130 ASP H . 34600 1 397 . 1 . 1 47 47 ASP HA H 1 4.456 0.01 . . . . . . A 130 ASP HA . 34600 1 398 . 1 . 1 47 47 ASP HB2 H 1 2.744 0.01 . . . . . . A 130 ASP HB2 . 34600 1 399 . 1 . 1 47 47 ASP HB3 H 1 2.744 0.01 . . . . . . A 130 ASP HB3 . 34600 1 400 . 1 . 1 47 47 ASP C C 13 175.926 0.01 . . . . . . A 130 ASP C . 34600 1 401 . 1 . 1 47 47 ASP CA C 13 55.488 0.10 . . . . . . A 130 ASP CA . 34600 1 402 . 1 . 1 47 47 ASP CB C 13 39.975 0.12 . . . . . . A 130 ASP CB . 34600 1 403 . 1 . 1 47 47 ASP N N 15 128.928 0.10 . . . . . . A 130 ASP N . 34600 1 404 . 1 . 1 48 48 VAL H H 1 9.115 0.01 . . . . . . A 131 VAL H . 34600 1 405 . 1 . 1 48 48 VAL HA H 1 3.835 0.01 . . . . . . A 131 VAL HA . 34600 1 406 . 1 . 1 48 48 VAL HB H 1 1.262 0.01 . . . . . . A 131 VAL HB . 34600 1 407 . 1 . 1 48 48 VAL HG11 H 1 0.728 0.01 . . . . . . A 131 VAL HG11 . 34600 1 408 . 1 . 1 48 48 VAL HG12 H 1 0.728 0.01 . . . . . . A 131 VAL HG12 . 34600 1 409 . 1 . 1 48 48 VAL HG13 H 1 0.728 0.01 . . . . . . A 131 VAL HG13 . 34600 1 410 . 1 . 1 48 48 VAL HG21 H 1 0.292 0.01 . . . . . . A 131 VAL HG21 . 34600 1 411 . 1 . 1 48 48 VAL HG22 H 1 0.292 0.01 . . . . . . A 131 VAL HG22 . 34600 1 412 . 1 . 1 48 48 VAL HG23 H 1 0.292 0.01 . . . . . . A 131 VAL HG23 . 34600 1 413 . 1 . 1 48 48 VAL C C 13 176.901 0.00 . . . . . . A 131 VAL C . 34600 1 414 . 1 . 1 48 48 VAL CA C 13 64.788 0.09 . . . . . . A 131 VAL CA . 34600 1 415 . 1 . 1 48 48 VAL CB C 13 33.188 0.13 . . . . . . A 131 VAL CB . 34600 1 416 . 1 . 1 48 48 VAL CG1 C 13 21.248 0.13 . . . . . . A 131 VAL CG1 . 34600 1 417 . 1 . 1 48 48 VAL CG2 C 13 20.264 0.06 . . . . . . A 131 VAL CG2 . 34600 1 418 . 1 . 1 48 48 VAL N N 15 123.330 0.08 . . . . . . A 131 VAL N . 34600 1 419 . 1 . 1 49 49 CYS H H 1 8.205 0.01 . . . . . . A 132 CYS H . 34600 1 420 . 1 . 1 49 49 CYS HA H 1 5.104 0.00 . . . . . . A 132 CYS HA . 34600 1 421 . 1 . 1 49 49 CYS HB2 H 1 2.765 0.01 . . . . . . A 132 CYS HB2 . 34600 1 422 . 1 . 1 49 49 CYS HB3 H 1 3.441 0.03 . . . . . . A 132 CYS HB3 . 34600 1 423 . 1 . 1 49 49 CYS C C 13 175.463 0.03 . . . . . . A 132 CYS C . 34600 1 424 . 1 . 1 49 49 CYS CA C 13 58.272 0.10 . . . . . . A 132 CYS CA . 34600 1 425 . 1 . 1 49 49 CYS CB C 13 32.287 0.12 . . . . . . A 132 CYS CB . 34600 1 426 . 1 . 1 49 49 CYS N N 15 118.644 0.07 . . . . . . A 132 CYS N . 34600 1 427 . 1 . 1 50 50 SER H H 1 7.895 0.01 . . . . . . A 133 SER H . 34600 1 428 . 1 . 1 50 50 SER HA H 1 4.270 0.00 . . . . . . A 133 SER HA . 34600 1 429 . 1 . 1 50 50 SER HB2 H 1 3.977 0.00 . . . . . . A 133 SER HB2 . 34600 1 430 . 1 . 1 50 50 SER HB3 H 1 4.265 0.01 . . . . . . A 133 SER HB3 . 34600 1 431 . 1 . 1 50 50 SER C C 13 173.137 0.00 . . . . . . A 133 SER C . 34600 1 432 . 1 . 1 50 50 SER CA C 13 61.002 0.13 . . . . . . A 133 SER CA . 34600 1 433 . 1 . 1 50 50 SER CB C 13 62.184 0.13 . . . . . . A 133 SER CB . 34600 1 434 . 1 . 1 50 50 SER N N 15 113.431 0.06 . . . . . . A 133 SER N . 34600 1 435 . 1 . 1 51 51 ASP H H 1 8.347 0.01 . . . . . . A 134 ASP H . 34600 1 436 . 1 . 1 51 51 ASP HA H 1 4.339 0.01 . . . . . . A 134 ASP HA . 34600 1 437 . 1 . 1 51 51 ASP HB2 H 1 2.037 0.01 . . . . . . A 134 ASP HB2 . 34600 1 438 . 1 . 1 51 51 ASP HB3 H 1 2.336 0.01 . . . . . . A 134 ASP HB3 . 34600 1 439 . 1 . 1 51 51 ASP C C 13 174.210 0.02 . . . . . . A 134 ASP C . 34600 1 440 . 1 . 1 51 51 ASP CA C 13 55.750 0.14 . . . . . . A 134 ASP CA . 34600 1 441 . 1 . 1 51 51 ASP CB C 13 41.069 0.11 . . . . . . A 134 ASP CB . 34600 1 442 . 1 . 1 51 51 ASP N N 15 124.438 0.07 . . . . . . A 134 ASP N . 34600 1 443 . 1 . 1 52 52 MET H H 1 7.745 0.01 . . . . . . A 135 MET H . 34600 1 444 . 1 . 1 52 52 MET HA H 1 5.083 0.01 . . . . . . A 135 MET HA . 34600 1 445 . 1 . 1 52 52 MET HB2 H 1 1.669 0.02 . . . . . . A 135 MET HB2 . 34600 1 446 . 1 . 1 52 52 MET HB3 H 1 1.720 0.01 . . . . . . A 135 MET HB3 . 34600 1 447 . 1 . 1 52 52 MET HG2 H 1 2.433 0.01 . . . . . . A 135 MET HG2 . 34600 1 448 . 1 . 1 52 52 MET HG3 H 1 2.282 0.00 . . . . . . A 135 MET HG3 . 34600 1 449 . 1 . 1 52 52 MET C C 13 175.142 0.02 . . . . . . A 135 MET C . 34600 1 450 . 1 . 1 52 52 MET CA C 13 53.796 0.12 . . . . . . A 135 MET CA . 34600 1 451 . 1 . 1 52 52 MET CB C 13 35.975 0.13 . . . . . . A 135 MET CB . 34600 1 452 . 1 . 1 52 52 MET CG C 13 31.742 0.09 . . . . . . A 135 MET CG . 34600 1 453 . 1 . 1 52 52 MET N N 15 116.688 0.07 . . . . . . A 135 MET N . 34600 1 454 . 1 . 1 53 53 PHE H H 1 8.712 0.01 . . . . . . A 136 PHE H . 34600 1 455 . 1 . 1 53 53 PHE HA H 1 4.832 0.01 . . . . . . A 136 PHE HA . 34600 1 456 . 1 . 1 53 53 PHE HB2 H 1 3.077 0.01 . . . . . . A 136 PHE HB2 . 34600 1 457 . 1 . 1 53 53 PHE HB3 H 1 2.624 0.02 . . . . . . A 136 PHE HB3 . 34600 1 458 . 1 . 1 53 53 PHE HD1 H 1 7.139 0.01 . . . . . . A 136 PHE HD1 . 34600 1 459 . 1 . 1 53 53 PHE HD2 H 1 7.139 0.01 . . . . . . A 136 PHE HD2 . 34600 1 460 . 1 . 1 53 53 PHE HE1 H 1 6.801 0.02 . . . . . . A 136 PHE HE1 . 34600 1 461 . 1 . 1 53 53 PHE HE2 H 1 6.801 0.02 . . . . . . A 136 PHE HE2 . 34600 1 462 . 1 . 1 53 53 PHE HZ H 1 6.291 0.01 . . . . . . A 136 PHE HZ . 34600 1 463 . 1 . 1 53 53 PHE C C 13 175.522 0.00 . . . . . . A 136 PHE C . 34600 1 464 . 1 . 1 53 53 PHE CA C 13 55.786 0.15 . . . . . . A 136 PHE CA . 34600 1 465 . 1 . 1 53 53 PHE CB C 13 43.618 0.09 . . . . . . A 136 PHE CB . 34600 1 466 . 1 . 1 53 53 PHE CD1 C 13 129.534 0.19 . . . . . . A 136 PHE CD1 . 34600 1 467 . 1 . 1 53 53 PHE CE1 C 13 127.381 0.40 . . . . . . A 136 PHE CE1 . 34600 1 468 . 1 . 1 53 53 PHE N N 15 117.353 0.08 . . . . . . A 136 PHE N . 34600 1 469 . 1 . 1 54 54 PRO HA H 1 4.762 0.01 . . . . . . A 137 PRO HA . 34600 1 470 . 1 . 1 54 54 PRO HB2 H 1 2.254 0.01 . . . . . . A 137 PRO HB2 . 34600 1 471 . 1 . 1 54 54 PRO HB3 H 1 1.835 0.01 . . . . . . A 137 PRO HB3 . 34600 1 472 . 1 . 1 54 54 PRO HG2 H 1 1.938 0.00 . . . . . . A 137 PRO HG2 . 34600 1 473 . 1 . 1 54 54 PRO HG3 H 1 2.164 0.01 . . . . . . A 137 PRO HG3 . 34600 1 474 . 1 . 1 54 54 PRO HD2 H 1 3.873 0.02 . . . . . . A 137 PRO HD2 . 34600 1 475 . 1 . 1 54 54 PRO HD3 H 1 3.873 0.02 . . . . . . A 137 PRO HD3 . 34600 1 476 . 1 . 1 54 54 PRO C C 13 175.174 0.00 . . . . . . A 137 PRO C . 34600 1 477 . 1 . 1 54 54 PRO CA C 13 63.720 0.13 . . . . . . A 137 PRO CA . 34600 1 478 . 1 . 1 54 54 PRO CB C 13 32.375 0.19 . . . . . . A 137 PRO CB . 34600 1 479 . 1 . 1 54 54 PRO CG C 13 27.104 0.10 . . . . . . A 137 PRO CG . 34600 1 480 . 1 . 1 54 54 PRO CD C 13 51.092 0.05 . . . . . . A 137 PRO CD . 34600 1 481 . 1 . 1 55 55 HIS H H 1 6.618 0.01 . . . . . . A 138 HIS H . 34600 1 482 . 1 . 1 55 55 HIS HA H 1 4.781 0.02 . . . . . . A 138 HIS HA . 34600 1 483 . 1 . 1 55 55 HIS HB2 H 1 3.166 0.01 . . . . . . A 138 HIS HB2 . 34600 1 484 . 1 . 1 55 55 HIS HB3 H 1 2.804 0.01 . . . . . . A 138 HIS HB3 . 34600 1 485 . 1 . 1 55 55 HIS HD2 H 1 7.070 0.01 . . . . . . A 138 HIS HD2 . 34600 1 486 . 1 . 1 55 55 HIS HE1 H 1 7.838 0.00 . . . . . . A 138 HIS HE1 . 34600 1 487 . 1 . 1 55 55 HIS C C 13 175.281 0.02 . . . . . . A 138 HIS C . 34600 1 488 . 1 . 1 55 55 HIS CA C 13 54.645 0.14 . . . . . . A 138 HIS CA . 34600 1 489 . 1 . 1 55 55 HIS CB C 13 34.671 0.17 . . . . . . A 138 HIS CB . 34600 1 490 . 1 . 1 55 55 HIS CD2 C 13 116.862 0.00 . . . . . . A 138 HIS CD2 . 34600 1 491 . 1 . 1 55 55 HIS N N 15 111.583 0.13 . . . . . . A 138 HIS N . 34600 1 492 . 1 . 1 55 55 HIS ND1 N 15 168.900 0.00 . . . . . . A 138 HIS ND1 . 34600 1 493 . 1 . 1 55 55 HIS NE2 N 15 172.469 0.02 . . . . . . A 138 HIS NE2 . 34600 1 494 . 1 . 1 56 56 LEU H H 1 8.358 0.01 . . . . . . A 139 LEU H . 34600 1 495 . 1 . 1 56 56 LEU HA H 1 3.186 0.01 . . . . . . A 139 LEU HA . 34600 1 496 . 1 . 1 56 56 LEU HB2 H 1 0.859 0.00 . . . . . . A 139 LEU HB2 . 34600 1 497 . 1 . 1 56 56 LEU HB3 H 1 1.320 0.01 . . . . . . A 139 LEU HB3 . 34600 1 498 . 1 . 1 56 56 LEU HG H 1 1.177 0.01 . . . . . . A 139 LEU HG . 34600 1 499 . 1 . 1 56 56 LEU HD11 H 1 0.747 0.01 . . . . . . A 139 LEU HD11 . 34600 1 500 . 1 . 1 56 56 LEU HD12 H 1 0.747 0.01 . . . . . . A 139 LEU HD12 . 34600 1 501 . 1 . 1 56 56 LEU HD13 H 1 0.747 0.01 . . . . . . A 139 LEU HD13 . 34600 1 502 . 1 . 1 56 56 LEU HD21 H 1 0.723 0.00 . . . . . . A 139 LEU HD21 . 34600 1 503 . 1 . 1 56 56 LEU HD22 H 1 0.723 0.00 . . . . . . A 139 LEU HD22 . 34600 1 504 . 1 . 1 56 56 LEU HD23 H 1 0.723 0.00 . . . . . . A 139 LEU HD23 . 34600 1 505 . 1 . 1 56 56 LEU C C 13 178.114 0.01 . . . . . . A 139 LEU C . 34600 1 506 . 1 . 1 56 56 LEU CA C 13 57.802 0.10 . . . . . . A 139 LEU CA . 34600 1 507 . 1 . 1 56 56 LEU CB C 13 41.489 0.09 . . . . . . A 139 LEU CB . 34600 1 508 . 1 . 1 56 56 LEU CG C 13 26.572 0.00 . . . . . . A 139 LEU CG . 34600 1 509 . 1 . 1 56 56 LEU CD1 C 13 23.157 0.05 . . . . . . A 139 LEU CD1 . 34600 1 510 . 1 . 1 56 56 LEU CD2 C 13 25.232 0.07 . . . . . . A 139 LEU CD2 . 34600 1 511 . 1 . 1 56 56 LEU N N 15 128.652 0.06 . . . . . . A 139 LEU N . 34600 1 512 . 1 . 1 57 57 ALA H H 1 9.426 0.01 . . . . . . A 140 ALA H . 34600 1 513 . 1 . 1 57 57 ALA HA H 1 4.727 0.00 . . . . . . A 140 ALA HA . 34600 1 514 . 1 . 1 57 57 ALA HB1 H 1 1.381 0.02 . . . . . . A 140 ALA HB1 . 34600 1 515 . 1 . 1 57 57 ALA HB2 H 1 1.381 0.02 . . . . . . A 140 ALA HB2 . 34600 1 516 . 1 . 1 57 57 ALA HB3 H 1 1.381 0.02 . . . . . . A 140 ALA HB3 . 34600 1 517 . 1 . 1 57 57 ALA C C 13 181.379 0.02 . . . . . . A 140 ALA C . 34600 1 518 . 1 . 1 57 57 ALA CA C 13 55.222 0.07 . . . . . . A 140 ALA CA . 34600 1 519 . 1 . 1 57 57 ALA CB C 13 17.897 0.10 . . . . . . A 140 ALA CB . 34600 1 520 . 1 . 1 57 57 ALA N N 15 120.251 0.06 . . . . . . A 140 ALA N . 34600 1 521 . 1 . 1 58 58 LEU H H 1 6.806 0.01 . . . . . . A 141 LEU H . 34600 1 522 . 1 . 1 58 58 LEU HA H 1 4.065 0.01 . . . . . . A 141 LEU HA . 34600 1 523 . 1 . 1 58 58 LEU HB2 H 1 1.620 0.01 . . . . . . A 141 LEU HB2 . 34600 1 524 . 1 . 1 58 58 LEU HB3 H 1 1.853 0.01 . . . . . . A 141 LEU HB3 . 34600 1 525 . 1 . 1 58 58 LEU HG H 1 1.711 0.01 . . . . . . A 141 LEU HG . 34600 1 526 . 1 . 1 58 58 LEU HD11 H 1 1.137 0.01 . . . . . . A 141 LEU HD11 . 34600 1 527 . 1 . 1 58 58 LEU HD12 H 1 1.137 0.01 . . . . . . A 141 LEU HD12 . 34600 1 528 . 1 . 1 58 58 LEU HD13 H 1 1.137 0.01 . . . . . . A 141 LEU HD13 . 34600 1 529 . 1 . 1 58 58 LEU HD21 H 1 0.925 0.00 . . . . . . A 141 LEU HD21 . 34600 1 530 . 1 . 1 58 58 LEU HD22 H 1 0.925 0.00 . . . . . . A 141 LEU HD22 . 34600 1 531 . 1 . 1 58 58 LEU HD23 H 1 0.925 0.00 . . . . . . A 141 LEU HD23 . 34600 1 532 . 1 . 1 58 58 LEU C C 13 179.280 0.02 . . . . . . A 141 LEU C . 34600 1 533 . 1 . 1 58 58 LEU CA C 13 56.654 0.10 . . . . . . A 141 LEU CA . 34600 1 534 . 1 . 1 58 58 LEU CB C 13 42.051 0.12 . . . . . . A 141 LEU CB . 34600 1 535 . 1 . 1 58 58 LEU CG C 13 27.412 0.09 . . . . . . A 141 LEU CG . 34600 1 536 . 1 . 1 58 58 LEU CD1 C 13 26.287 0.04 . . . . . . A 141 LEU CD1 . 34600 1 537 . 1 . 1 58 58 LEU CD2 C 13 22.388 0.03 . . . . . . A 141 LEU CD2 . 34600 1 538 . 1 . 1 58 58 LEU N N 15 115.750 0.10 . . . . . . A 141 LEU N . 34600 1 539 . 1 . 1 59 59 LEU H H 1 7.031 0.01 . . . . . . A 142 LEU H . 34600 1 540 . 1 . 1 59 59 LEU HA H 1 3.232 0.01 . . . . . . A 142 LEU HA . 34600 1 541 . 1 . 1 59 59 LEU HB2 H 1 1.970 0.01 . . . . . . A 142 LEU HB2 . 34600 1 542 . 1 . 1 59 59 LEU HB3 H 1 1.276 0.01 . . . . . . A 142 LEU HB3 . 34600 1 543 . 1 . 1 59 59 LEU HG H 1 1.500 0.01 . . . . . . A 142 LEU HG . 34600 1 544 . 1 . 1 59 59 LEU HD11 H 1 0.978 0.01 . . . . . . A 142 LEU HD11 . 34600 1 545 . 1 . 1 59 59 LEU HD12 H 1 0.978 0.01 . . . . . . A 142 LEU HD12 . 34600 1 546 . 1 . 1 59 59 LEU HD13 H 1 0.978 0.01 . . . . . . A 142 LEU HD13 . 34600 1 547 . 1 . 1 59 59 LEU HD21 H 1 0.984 0.00 . . . . . . A 142 LEU HD21 . 34600 1 548 . 1 . 1 59 59 LEU HD22 H 1 0.984 0.00 . . . . . . A 142 LEU HD22 . 34600 1 549 . 1 . 1 59 59 LEU HD23 H 1 0.984 0.00 . . . . . . A 142 LEU HD23 . 34600 1 550 . 1 . 1 59 59 LEU C C 13 177.786 0.01 . . . . . . A 142 LEU C . 34600 1 551 . 1 . 1 59 59 LEU CA C 13 57.718 0.14 . . . . . . A 142 LEU CA . 34600 1 552 . 1 . 1 59 59 LEU CB C 13 40.122 0.13 . . . . . . A 142 LEU CB . 34600 1 553 . 1 . 1 59 59 LEU CG C 13 27.724 0.13 . . . . . . A 142 LEU CG . 34600 1 554 . 1 . 1 59 59 LEU CD1 C 13 22.848 0.08 . . . . . . A 142 LEU CD1 . 34600 1 555 . 1 . 1 59 59 LEU CD2 C 13 26.464 0.04 . . . . . . A 142 LEU CD2 . 34600 1 556 . 1 . 1 59 59 LEU N N 15 122.104 0.08 . . . . . . A 142 LEU N . 34600 1 557 . 1 . 1 60 60 ASN H H 1 8.533 0.01 . . . . . . A 143 ASN H . 34600 1 558 . 1 . 1 60 60 ASN HA H 1 4.295 0.00 . . . . . . A 143 ASN HA . 34600 1 559 . 1 . 1 60 60 ASN HB2 H 1 2.653 0.01 . . . . . . A 143 ASN HB2 . 34600 1 560 . 1 . 1 60 60 ASN HB3 H 1 2.653 0.01 . . . . . . A 143 ASN HB3 . 34600 1 561 . 1 . 1 60 60 ASN C C 13 178.108 0.01 . . . . . . A 143 ASN C . 34600 1 562 . 1 . 1 60 60 ASN CA C 13 55.911 0.14 . . . . . . A 143 ASN CA . 34600 1 563 . 1 . 1 60 60 ASN CB C 13 37.057 0.11 . . . . . . A 143 ASN CB . 34600 1 564 . 1 . 1 60 60 ASN N N 15 117.812 0.09 . . . . . . A 143 ASN N . 34600 1 565 . 1 . 1 61 61 ALA H H 1 7.462 0.05 . . . . . . A 144 ALA H . 34600 1 566 . 1 . 1 61 61 ALA HA H 1 4.028 0.01 . . . . . . A 144 ALA HA . 34600 1 567 . 1 . 1 61 61 ALA HB1 H 1 1.375 0.00 . . . . . . A 144 ALA HB1 . 34600 1 568 . 1 . 1 61 61 ALA HB2 H 1 1.375 0.00 . . . . . . A 144 ALA HB2 . 34600 1 569 . 1 . 1 61 61 ALA HB3 H 1 1.375 0.00 . . . . . . A 144 ALA HB3 . 34600 1 570 . 1 . 1 61 61 ALA C C 13 179.812 0.01 . . . . . . A 144 ALA C . 34600 1 571 . 1 . 1 61 61 ALA CA C 13 54.938 0.20 . . . . . . A 144 ALA CA . 34600 1 572 . 1 . 1 61 61 ALA CB C 13 17.979 0.10 . . . . . . A 144 ALA CB . 34600 1 573 . 1 . 1 61 61 ALA N N 15 121.531 0.07 . . . . . . A 144 ALA N . 34600 1 574 . 1 . 1 62 62 HIS H H 1 7.442 0.01 . . . . . . A 145 HIS H . 34600 1 575 . 1 . 1 62 62 HIS HA H 1 4.105 0.00 . . . . . . A 145 HIS HA . 34600 1 576 . 1 . 1 62 62 HIS HB2 H 1 3.032 0.01 . . . . . . A 145 HIS HB2 . 34600 1 577 . 1 . 1 62 62 HIS HB3 H 1 2.696 0.01 . . . . . . A 145 HIS HB3 . 34600 1 578 . 1 . 1 62 62 HIS HD2 H 1 6.842 0.02 . . . . . . A 145 HIS HD2 . 34600 1 579 . 1 . 1 62 62 HIS HE1 H 1 8.037 0.00 . . . . . . A 145 HIS HE1 . 34600 1 580 . 1 . 1 62 62 HIS C C 13 177.009 0.02 . . . . . . A 145 HIS C . 34600 1 581 . 1 . 1 62 62 HIS CA C 13 59.015 0.14 . . . . . . A 145 HIS CA . 34600 1 582 . 1 . 1 62 62 HIS CB C 13 28.151 0.11 . . . . . . A 145 HIS CB . 34600 1 583 . 1 . 1 62 62 HIS CD2 C 13 123.822 0.09 . . . . . . A 145 HIS CD2 . 34600 1 584 . 1 . 1 62 62 HIS N N 15 118.833 0.11 . . . . . . A 145 HIS N . 34600 1 585 . 1 . 1 62 62 HIS ND1 N 15 172.331 0.03 . . . . . . A 145 HIS ND1 . 34600 1 586 . 1 . 1 62 62 HIS NE2 N 15 214.858 0.01 . . . . . . A 145 HIS NE2 . 34600 1 587 . 1 . 1 63 63 LYS H H 1 8.422 0.01 . . . . . . A 146 LYS H . 34600 1 588 . 1 . 1 63 63 LYS HA H 1 3.672 0.01 . . . . . . A 146 LYS HA . 34600 1 589 . 1 . 1 63 63 LYS HB2 H 1 1.985 0.00 . . . . . . A 146 LYS HB2 . 34600 1 590 . 1 . 1 63 63 LYS HB3 H 1 1.921 0.01 . . . . . . A 146 LYS HB3 . 34600 1 591 . 1 . 1 63 63 LYS HG2 H 1 1.827 0.01 . . . . . . A 146 LYS HG2 . 34600 1 592 . 1 . 1 63 63 LYS HG3 H 1 1.932 0.00 . . . . . . A 146 LYS HG3 . 34600 1 593 . 1 . 1 63 63 LYS HD2 H 1 1.872 0.01 . . . . . . A 146 LYS HD2 . 34600 1 594 . 1 . 1 63 63 LYS HD3 H 1 1.872 0.01 . . . . . . A 146 LYS HD3 . 34600 1 595 . 1 . 1 63 63 LYS HE2 H 1 3.055 0.01 . . . . . . A 146 LYS HE2 . 34600 1 596 . 1 . 1 63 63 LYS HE3 H 1 3.163 0.01 . . . . . . A 146 LYS HE3 . 34600 1 597 . 1 . 1 63 63 LYS C C 13 178.452 0.04 . . . . . . A 146 LYS C . 34600 1 598 . 1 . 1 63 63 LYS CA C 13 60.177 0.09 . . . . . . A 146 LYS CA . 34600 1 599 . 1 . 1 63 63 LYS CB C 13 31.835 0.12 . . . . . . A 146 LYS CB . 34600 1 600 . 1 . 1 63 63 LYS CG C 13 26.552 0.03 . . . . . . A 146 LYS CG . 34600 1 601 . 1 . 1 63 63 LYS CD C 13 29.468 0.03 . . . . . . A 146 LYS CD . 34600 1 602 . 1 . 1 63 63 LYS CE C 13 41.490 0.09 . . . . . . A 146 LYS CE . 34600 1 603 . 1 . 1 63 63 LYS N N 15 117.137 0.08 . . . . . . A 146 LYS N . 34600 1 604 . 1 . 1 64 64 ARG H H 1 7.088 0.01 . . . . . . A 147 ARG H . 34600 1 605 . 1 . 1 64 64 ARG HA H 1 4.088 0.01 . . . . . . A 147 ARG HA . 34600 1 606 . 1 . 1 64 64 ARG HB3 H 1 1.761 0.00 . . . . . . A 147 ARG HB3 . 34600 1 607 . 1 . 1 64 64 ARG HG2 H 1 1.758 0.01 . . . . . . A 147 ARG HG2 . 34600 1 608 . 1 . 1 64 64 ARG HG3 H 1 1.648 0.01 . . . . . . A 147 ARG HG3 . 34600 1 609 . 1 . 1 64 64 ARG HD2 H 1 3.164 0.01 . . . . . . A 147 ARG HD2 . 34600 1 610 . 1 . 1 64 64 ARG HD3 H 1 3.164 0.01 . . . . . . A 147 ARG HD3 . 34600 1 611 . 1 . 1 64 64 ARG HE H 1 7.250 0.01 . . . . . . A 147 ARG HE . 34600 1 612 . 1 . 1 64 64 ARG C C 13 177.662 0.03 . . . . . . A 147 ARG C . 34600 1 613 . 1 . 1 64 64 ARG CA C 13 58.097 0.15 . . . . . . A 147 ARG CA . 34600 1 614 . 1 . 1 64 64 ARG CB C 13 29.708 0.21 . . . . . . A 147 ARG CB . 34600 1 615 . 1 . 1 64 64 ARG CG C 13 27.247 0.09 . . . . . . A 147 ARG CG . 34600 1 616 . 1 . 1 64 64 ARG CD C 13 43.255 0.03 . . . . . . A 147 ARG CD . 34600 1 617 . 1 . 1 64 64 ARG N N 15 117.566 0.07 . . . . . . A 147 ARG N . 34600 1 618 . 1 . 1 64 64 ARG NE N 15 86.981 0.01 . . . . . . A 147 ARG NE . 34600 1 619 . 1 . 1 65 65 MET H H 1 7.714 0.01 . . . . . . A 148 MET H . 34600 1 620 . 1 . 1 65 65 MET HA H 1 4.157 0.01 . . . . . . A 148 MET HA . 34600 1 621 . 1 . 1 65 65 MET HB2 H 1 1.760 0.01 . . . . . . A 148 MET HB2 . 34600 1 622 . 1 . 1 65 65 MET HB3 H 1 1.760 0.01 . . . . . . A 148 MET HB3 . 34600 1 623 . 1 . 1 65 65 MET HG2 H 1 2.184 0.00 . . . . . . A 148 MET HG2 . 34600 1 624 . 1 . 1 65 65 MET HG3 H 1 2.184 0.00 . . . . . . A 148 MET HG3 . 34600 1 625 . 1 . 1 65 65 MET C C 13 177.488 0.00 . . . . . . A 148 MET C . 34600 1 626 . 1 . 1 65 65 MET CA C 13 56.911 0.17 . . . . . . A 148 MET CA . 34600 1 627 . 1 . 1 65 65 MET CB C 13 31.399 0.20 . . . . . . A 148 MET CB . 34600 1 628 . 1 . 1 65 65 MET CG C 13 31.017 0.05 . . . . . . A 148 MET CG . 34600 1 629 . 1 . 1 65 65 MET N N 15 116.100 0.07 . . . . . . A 148 MET N . 34600 1 630 . 1 . 1 66 66 HIS H H 1 7.279 0.01 . . . . . . A 149 HIS H . 34600 1 631 . 1 . 1 66 66 HIS HA H 1 4.844 0.01 . . . . . . A 149 HIS HA . 34600 1 632 . 1 . 1 66 66 HIS HB2 H 1 3.291 0.01 . . . . . . A 149 HIS HB2 . 34600 1 633 . 1 . 1 66 66 HIS HB3 H 1 3.261 0.01 . . . . . . A 149 HIS HB3 . 34600 1 634 . 1 . 1 66 66 HIS HD2 H 1 6.632 0.01 . . . . . . A 149 HIS HD2 . 34600 1 635 . 1 . 1 66 66 HIS HE1 H 1 8.063 0.01 . . . . . . A 149 HIS HE1 . 34600 1 636 . 1 . 1 66 66 HIS C C 13 175.352 0.01 . . . . . . A 149 HIS C . 34600 1 637 . 1 . 1 66 66 HIS CA C 13 55.195 0.08 . . . . . . A 149 HIS CA . 34600 1 638 . 1 . 1 66 66 HIS CB C 13 28.610 0.16 . . . . . . A 149 HIS CB . 34600 1 639 . 1 . 1 66 66 HIS CD2 C 13 124.350 0.25 . . . . . . A 149 HIS CD2 . 34600 1 640 . 1 . 1 66 66 HIS N N 15 116.026 0.11 . . . . . . A 149 HIS N . 34600 1 641 . 1 . 1 66 66 HIS ND1 N 15 170.131 0.12 . . . . . . A 149 HIS ND1 . 34600 1 642 . 1 . 1 66 66 HIS NE2 N 15 212.881 0.02 . . . . . . A 149 HIS NE2 . 34600 1 643 . 1 . 1 67 67 THR H H 1 7.773 0.00 . . . . . . A 150 THR H . 34600 1 644 . 1 . 1 67 67 THR HA H 1 4.373 0.00 . . . . . . A 150 THR HA . 34600 1 645 . 1 . 1 67 67 THR HB H 1 4.250 0.02 . . . . . . A 150 THR HB . 34600 1 646 . 1 . 1 67 67 THR HG21 H 1 1.167 0.01 . . . . . . A 150 THR HG21 . 34600 1 647 . 1 . 1 67 67 THR HG22 H 1 1.167 0.01 . . . . . . A 150 THR HG22 . 34600 1 648 . 1 . 1 67 67 THR HG23 H 1 1.167 0.01 . . . . . . A 150 THR HG23 . 34600 1 649 . 1 . 1 67 67 THR C C 13 174.476 0.01 . . . . . . A 150 THR C . 34600 1 650 . 1 . 1 67 67 THR CA C 13 61.878 0.13 . . . . . . A 150 THR CA . 34600 1 651 . 1 . 1 67 67 THR CB C 13 69.776 0.08 . . . . . . A 150 THR CB . 34600 1 652 . 1 . 1 67 67 THR CG2 C 13 21.526 0.00 . . . . . . A 150 THR CG2 . 34600 1 653 . 1 . 1 67 67 THR N N 15 112.709 0.09 . . . . . . A 150 THR N . 34600 1 654 . 1 . 1 68 68 ASP H H 1 8.375 0.00 . . . . . . A 151 ASP H . 34600 1 655 . 1 . 1 68 68 ASP HA H 1 4.620 0.00 . . . . . . A 151 ASP HA . 34600 1 656 . 1 . 1 68 68 ASP HB2 H 1 2.641 0.01 . . . . . . A 151 ASP HB2 . 34600 1 657 . 1 . 1 68 68 ASP HB3 H 1 2.641 0.01 . . . . . . A 151 ASP HB3 . 34600 1 658 . 1 . 1 68 68 ASP C C 13 176.549 0.01 . . . . . . A 151 ASP C . 34600 1 659 . 1 . 1 68 68 ASP CA C 13 54.705 0.19 . . . . . . A 151 ASP CA . 34600 1 660 . 1 . 1 68 68 ASP CB C 13 40.966 0.16 . . . . . . A 151 ASP CB . 34600 1 661 . 1 . 1 68 68 ASP N N 15 122.425 0.07 . . . . . . A 151 ASP N . 34600 1 662 . 1 . 1 69 69 GLY H H 1 8.165 0.01 . . . . . . A 152 GLY H . 34600 1 663 . 1 . 1 69 69 GLY HA2 H 1 3.914 0.00 . . . . . . A 152 GLY HA2 . 34600 1 664 . 1 . 1 69 69 GLY HA3 H 1 3.914 0.00 . . . . . . A 152 GLY HA3 . 34600 1 665 . 1 . 1 69 69 GLY C C 13 173.315 0.01 . . . . . . A 152 GLY C . 34600 1 666 . 1 . 1 69 69 GLY CA C 13 45.335 0.13 . . . . . . A 152 GLY CA . 34600 1 667 . 1 . 1 69 69 GLY N N 15 109.190 0.06 . . . . . . A 152 GLY N . 34600 1 668 . 1 . 1 70 70 GLU H H 1 7.804 0.00 . . . . . . A 153 GLU H . 34600 1 669 . 1 . 1 70 70 GLU HA H 1 4.085 0.00 . . . . . . A 153 GLU HA . 34600 1 670 . 1 . 1 70 70 GLU HB2 H 1 1.851 0.01 . . . . . . A 153 GLU HB2 . 34600 1 671 . 1 . 1 70 70 GLU HB3 H 1 2.014 0.00 . . . . . . A 153 GLU HB3 . 34600 1 672 . 1 . 1 70 70 GLU HG2 H 1 2.159 0.00 . . . . . . A 153 GLU HG2 . 34600 1 673 . 1 . 1 70 70 GLU HG3 H 1 2.159 0.00 . . . . . . A 153 GLU HG3 . 34600 1 674 . 1 . 1 70 70 GLU C C 13 181.221 0.00 . . . . . . A 153 GLU C . 34600 1 675 . 1 . 1 70 70 GLU CA C 13 57.930 0.06 . . . . . . A 153 GLU CA . 34600 1 676 . 1 . 1 70 70 GLU CB C 13 31.146 0.11 . . . . . . A 153 GLU CB . 34600 1 677 . 1 . 1 70 70 GLU CG C 13 36.677 0.08 . . . . . . A 153 GLU CG . 34600 1 678 . 1 . 1 70 70 GLU N N 15 125.431 0.06 . . . . . . A 153 GLU N . 34600 1 stop_ save_