################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18652 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 18652 1 2 '3D HNCACB' . . . 18652 1 3 '3D CBCA(CO)NH' . . . 18652 1 4 '3D HNCO' . . . 18652 1 5 '3D HN(CA)CO' . . . 18652 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY C C 13 170.84 0.2 . 1 . . . . 492 GLY C . 18652 1 2 . 1 1 3 3 GLY CA C 13 41.9 0.2 . 1 . . . . 492 GLY CA . 18652 1 3 . 1 1 4 4 TYR H H 1 7.99 0.02 . 1 . . . . 493 TYR H . 18652 1 4 . 1 1 4 4 TYR HA H 1 5.07 0.02 . 1 . . . . 493 TYR HA . 18652 1 5 . 1 1 4 4 TYR C C 13 174.98 0.2 . 1 . . . . 493 TYR C . 18652 1 6 . 1 1 4 4 TYR CA C 13 39.13 0.2 . 1 . . . . 493 TYR CA . 18652 1 7 . 1 1 4 4 TYR N N 15 119.13 0.1 . 1 . . . . 493 TYR N . 18652 1 8 . 1 1 5 5 THR H H 1 9.32 0.02 . 1 . . . . 494 THR H . 18652 1 9 . 1 1 5 5 THR HA H 1 4.56 0.02 . 1 . . . . 494 THR HA . 18652 1 10 . 1 1 5 5 THR C C 13 172.8 0.2 . 1 . . . . 494 THR C . 18652 1 11 . 1 1 5 5 THR CA C 13 58.54 0.2 . 1 . . . . 494 THR CA . 18652 1 12 . 1 1 5 5 THR N N 15 114.29 0.1 . 1 . . . . 494 THR N . 18652 1 13 . 1 1 6 6 GLU H H 1 8.94 0.02 . 1 . . . . 495 GLU H . 18652 1 14 . 1 1 6 6 GLU HA H 1 3.93 0.02 . 1 . . . . 495 GLU HA . 18652 1 15 . 1 1 6 6 GLU C C 13 175.15 0.2 . 1 . . . . 495 GLU C . 18652 1 16 . 1 1 6 6 GLU CA C 13 58.44 0.2 . 1 . . . . 495 GLU CA . 18652 1 17 . 1 1 6 6 GLU N N 15 121.35 0.1 . 1 . . . . 495 GLU N . 18652 1 18 . 1 1 7 7 LEU H H 1 8 0.02 . 1 . . . . 496 LEU H . 18652 1 19 . 1 1 7 7 LEU HA H 1 4.05 0.02 . 1 . . . . 496 LEU HA . 18652 1 20 . 1 1 7 7 LEU C C 13 176.78 0.2 . 1 . . . . 496 LEU C . 18652 1 21 . 1 1 7 7 LEU CA C 13 54.97 0.2 . 1 . . . . 496 LEU CA . 18652 1 22 . 1 1 7 7 LEU N N 15 117.43 0.1 . 1 . . . . 496 LEU N . 18652 1 23 . 1 1 8 8 GLU H H 1 7.67 0.02 . 1 . . . . 497 GLU H . 18652 1 24 . 1 1 8 8 GLU HA H 1 4.05 0.02 . 1 . . . . 497 GLU HA . 18652 1 25 . 1 1 8 8 GLU C C 13 177.41 0.2 . 1 . . . . 497 GLU C . 18652 1 26 . 1 1 8 8 GLU CA C 13 56.95 0.2 . 1 . . . . 497 GLU CA . 18652 1 27 . 1 1 8 8 GLU N N 15 118.69 0.1 . 1 . . . . 497 GLU N . 18652 1 28 . 1 1 9 9 LYS H H 1 8.4 0.02 . 1 . . . . 498 LYS H . 18652 1 29 . 1 1 9 9 LYS HA H 1 3.57 0.02 . 1 . . . . 498 LYS HA . 18652 1 30 . 1 1 9 9 LYS C C 13 175.05 0.2 . 1 . . . . 498 LYS C . 18652 1 31 . 1 1 9 9 LYS CA C 13 58.34 0.2 . 1 . . . . 498 LYS CA . 18652 1 32 . 1 1 9 9 LYS N N 15 117.99 0.1 . 1 . . . . 498 LYS N . 18652 1 33 . 1 1 10 10 LEU H H 1 8.34 0.02 . 1 . . . . 499 LEU H . 18652 1 34 . 1 1 10 10 LEU HA H 1 4.32 0.02 . 1 . . . . 499 LEU HA . 18652 1 35 . 1 1 10 10 LEU C C 13 176.21 0.2 . 1 . . . . 499 LEU C . 18652 1 36 . 1 1 10 10 LEU CA C 13 56.26 0.2 . 1 . . . . 499 LEU CA . 18652 1 37 . 1 1 10 10 LEU N N 15 121.02 0.1 . 1 . . . . 499 LEU N . 18652 1 38 . 1 1 11 11 HIS H H 1 7.85 0.02 . 1 . . . . 500 HIS H . 18652 1 39 . 1 1 11 11 HIS HA H 1 4.32 0.02 . 1 . . . . 500 HIS HA . 18652 1 40 . 1 1 11 11 HIS CA C 13 55.96 0.2 . 1 . . . . 500 HIS CA . 18652 1 41 . 1 1 11 11 HIS N N 15 117.49 0.1 . 1 . . . . 500 HIS N . 18652 1 42 . 1 1 12 12 ILE C C 13 176.93 0.2 . 1 . . . . 501 ILE C . 18652 1 43 . 1 1 12 12 ILE CA C 13 62.89 0.2 . 1 . . . . 501 ILE CA . 18652 1 44 . 1 1 13 13 MET H H 1 9.23 0.02 . 1 . . . . 502 MET H . 18652 1 45 . 1 1 13 13 MET HA H 1 3.96 0.02 . 1 . . . . 502 MET HA . 18652 1 46 . 1 1 13 13 MET C C 13 173.16 0.2 . 1 . . . . 502 MET C . 18652 1 47 . 1 1 13 13 MET CA C 13 57.74 0.2 . 1 . . . . 502 MET CA . 18652 1 48 . 1 1 13 13 MET N N 15 123.22 0.1 . 1 . . . . 502 MET N . 18652 1 49 . 1 1 14 14 ARG H H 1 8.69 0.02 . 1 . . . . 503 ARG H . 18652 1 50 . 1 1 14 14 ARG HA H 1 3.91 0.02 . 1 . . . . 503 ARG HA . 18652 1 51 . 1 1 14 14 ARG C C 13 174.83 0.2 . 1 . . . . 503 ARG C . 18652 1 52 . 1 1 14 14 ARG CA C 13 57.05 0.2 . 1 . . . . 503 ARG CA . 18652 1 53 . 1 1 14 14 ARG N N 15 117.36 0.1 . 1 . . . . 503 ARG N . 18652 1 54 . 1 1 15 15 ASP H H 1 8.54 0.02 . 1 . . . . 504 ASP H . 18652 1 55 . 1 1 15 15 ASP HA H 1 4.02 0.02 . 1 . . . . 504 ASP HA . 18652 1 56 . 1 1 15 15 ASP CA C 13 53.19 0.2 . 1 . . . . 504 ASP CA . 18652 1 57 . 1 1 15 15 ASP N N 15 113.2 0.1 . 1 . . . . 504 ASP N . 18652 1 58 . 1 1 18 18 LEU H H 1 9.18 0.02 . 1 . . . . 507 LEU H . 18652 1 59 . 1 1 18 18 LEU HA H 1 4.24 0.02 . 1 . . . . 507 LEU HA . 18652 1 60 . 1 1 18 18 LEU C C 13 178.22 0.2 . 1 . . . . 507 LEU C . 18652 1 61 . 1 1 18 18 LEU CA C 13 56.95 0.2 . 1 . . . . 507 LEU CA . 18652 1 62 . 1 1 18 18 LEU N N 15 118.05 0.1 . 1 . . . . 507 LEU N . 18652 1 63 . 1 1 19 19 PRO C C 13 177.01 0.2 . 1 . . . . 508 PRO C . 18652 1 64 . 1 1 20 20 LYS H H 1 7.42 0.02 . 1 . . . . 509 LYS H . 18652 1 65 . 1 1 20 20 LYS HA H 1 4.25 0.02 . 1 . . . . 509 LYS HA . 18652 1 66 . 1 1 20 20 LYS C C 13 176.63 0.2 . 1 . . . . 509 LYS C . 18652 1 67 . 1 1 20 20 LYS CA C 13 56.36 0.2 . 1 . . . . 509 LYS CA . 18652 1 68 . 1 1 20 20 LYS N N 15 117.3 0.1 . 1 . . . . 509 LYS N . 18652 1 69 . 1 1 21 21 GLN H H 1 8.33 0.02 . 1 . . . . 510 GLN H . 18652 1 70 . 1 1 21 21 GLN HA H 1 4.47 0.02 . 1 . . . . 510 GLN HA . 18652 1 71 . 1 1 21 21 GLN C C 13 177.79 0.2 . 1 . . . . 510 GLN C . 18652 1 72 . 1 1 21 21 GLN CA C 13 55.47 0.2 . 1 . . . . 510 GLN CA . 18652 1 73 . 1 1 21 21 GLN N N 15 117.94 0.1 . 1 . . . . 510 GLN N . 18652 1 74 . 1 1 22 22 MET H H 1 9.3 0.02 . 1 . . . . 511 MET H . 18652 1 75 . 1 1 22 22 MET HA H 1 3.92 0.02 . 1 . . . . 511 MET HA . 18652 1 76 . 1 1 22 22 MET C C 13 175.53 0.2 . 1 . . . . 511 MET C . 18652 1 77 . 1 1 22 22 MET CA C 13 58.57 0.2 . 1 . . . . 511 MET CA . 18652 1 78 . 1 1 22 22 MET N N 15 123.01 0.1 . 1 . . . . 511 MET N . 18652 1 79 . 1 1 23 23 GLU H H 1 7.81 0.02 . 1 . . . . 512 GLU H . 18652 1 80 . 1 1 23 23 GLU HA H 1 4.13 0.02 . 1 . . . . 512 GLU HA . 18652 1 81 . 1 1 23 23 GLU C C 13 178.13 0.2 . 1 . . . . 512 GLU C . 18652 1 82 . 1 1 23 23 GLU CA C 13 57.37 0.2 . 1 . . . . 512 GLU CA . 18652 1 83 . 1 1 23 23 GLU N N 15 120.43 0.1 . 1 . . . . 512 GLU N . 18652 1 84 . 1 1 24 24 GLU H H 1 8.29 0.02 . 1 . . . . 513 GLU H . 18652 1 85 . 1 1 24 24 GLU HA H 1 4.05 0.02 . 1 . . . . 513 GLU HA . 18652 1 86 . 1 1 24 24 GLU C C 13 174.83 0.2 . 1 . . . . 513 GLU C . 18652 1 87 . 1 1 24 24 GLU CA C 13 56.51 0.2 . 1 . . . . 513 GLU CA . 18652 1 88 . 1 1 24 24 GLU N N 15 119.18 0.1 . 1 . . . . 513 GLU N . 18652 1 89 . 1 1 25 25 HIS H H 1 7.57 0.02 . 1 . . . . 514 HIS H . 18652 1 90 . 1 1 25 25 HIS HA H 1 4.57 0.02 . 1 . . . . 514 HIS HA . 18652 1 91 . 1 1 25 25 HIS C C 13 171.81 0.2 . 1 . . . . 514 HIS C . 18652 1 92 . 1 1 25 25 HIS CA C 13 55.11 0.2 . 1 . . . . 514 HIS CA . 18652 1 93 . 1 1 25 25 HIS N N 15 113.71 0.1 . 1 . . . . 514 HIS N . 18652 1 94 . 1 1 26 26 GLY H H 1 7.73 0.02 . 1 . . . . 515 GLY H . 18652 1 95 . 1 1 26 26 GLY HA2 H 1 4.00 0.02 . . . . . . 515 GLY HA2 . 18652 1 96 . 1 1 26 26 GLY HA3 H 1 4.00 0.02 . . . . . . 515 GLY HA3 . 18652 1 97 . 1 1 26 26 GLY C C 13 172.15 0.2 . 1 . . . . 515 GLY C . 18652 1 98 . 1 1 26 26 GLY CA C 13 44.34 0.2 . 1 . . . . 515 GLY CA . 18652 1 99 . 1 1 26 26 GLY N N 15 108.38 0.1 . 1 . . . . 515 GLY N . 18652 1 100 . 1 1 27 27 LEU H H 1 8.46 0.02 . 1 . . . . 516 LEU H . 18652 1 101 . 1 1 27 27 LEU HA H 1 4.48 0.02 . 1 . . . . 516 LEU HA . 18652 1 102 . 1 1 27 27 LEU C C 13 173.01 0.2 . 1 . . . . 516 LEU C . 18652 1 103 . 1 1 27 27 LEU CA C 13 50.99 0.2 . 1 . . . . 516 LEU CA . 18652 1 104 . 1 1 27 27 LEU N N 15 119.64 0.1 . 1 . . . . 516 LEU N . 18652 1 105 . 1 1 28 28 GLY H H 1 7.8 0.02 . 1 . . . . 517 GLY H . 18652 1 106 . 1 1 28 28 GLY HA2 H 1 4.27 0.02 . . . . . . 517 GLY HA2 . 18652 1 107 . 1 1 28 28 GLY HA3 H 1 3.93 0.02 . . . . . . 517 GLY HA3 . 18652 1 108 . 1 1 28 28 GLY C C 13 171.9 0.2 . 1 . . . . 517 GLY C . 18652 1 109 . 1 1 28 28 GLY CA C 13 41.87 0.2 . 1 . . . . 517 GLY CA . 18652 1 110 . 1 1 28 28 GLY N N 15 108.78 0.1 . 1 . . . . 517 GLY N . 18652 1 111 . 1 1 29 29 ARG H H 1 8.64 0.02 . 1 . . . . 518 ARG H . 18652 1 112 . 1 1 29 29 ARG HA H 1 4.02 0.02 . 1 . . . . 518 ARG HA . 18652 1 113 . 1 1 29 29 ARG C C 13 173.99 0.2 . 1 . . . . 518 ARG C . 18652 1 114 . 1 1 29 29 ARG CA C 13 55.71 0.2 . 1 . . . . 518 ARG CA . 18652 1 115 . 1 1 29 29 ARG N N 15 119.35 0.1 . 1 . . . . 518 ARG N . 18652 1 116 . 1 1 30 30 ASP H H 1 8.83 0.02 . 1 . . . . 519 ASP H . 18652 1 117 . 1 1 30 30 ASP HA H 1 4.52 0.02 . 1 . . . . 519 ASP HA . 18652 1 118 . 1 1 30 30 ASP C C 13 174.39 0.2 . 1 . . . . 519 ASP C . 18652 1 119 . 1 1 30 30 ASP CA C 13 51.98 0.2 . 1 . . . . 519 ASP CA . 18652 1 120 . 1 1 30 30 ASP N N 15 114.2 0.1 . 1 . . . . 519 ASP N . 18652 1 121 . 1 1 31 31 LYS H H 1 7.76 0.02 . 1 . . . . 520 LYS H . 18652 1 122 . 1 1 31 31 LYS HA H 1 4.40 0.02 . 1 . . . . 520 LYS HA . 18652 1 123 . 1 1 31 31 LYS C C 13 171.92 0.2 . 1 . . . . 520 LYS C . 18652 1 124 . 1 1 31 31 LYS CA C 13 54.18 0.2 . 1 . . . . 520 LYS CA . 18652 1 125 . 1 1 31 31 LYS N N 15 117.08 0.1 . 1 . . . . 520 LYS N . 18652 1 126 . 1 1 32 32 LEU H H 1 7.15 0.02 . 1 . . . . 521 LEU H . 18652 1 127 . 1 1 32 32 LEU HA H 1 5.31 0.02 . 1 . . . . 521 LEU HA . 18652 1 128 . 1 1 32 32 LEU C C 13 171.62 0.2 . 1 . . . . 521 LEU C . 18652 1 129 . 1 1 32 32 LEU CA C 13 51.25 0.2 . 1 . . . . 521 LEU CA . 18652 1 130 . 1 1 32 32 LEU N N 15 119.34 0.1 . 1 . . . . 521 LEU N . 18652 1 131 . 1 1 33 33 GLN H H 1 8.48 0.02 . 1 . . . . 522 GLN H . 18652 1 132 . 1 1 33 33 GLN HA H 1 4.65 0.02 . 1 . . . . 522 GLN HA . 18652 1 133 . 1 1 33 33 GLN C C 13 170.94 0.2 . 1 . . . . 522 GLN C . 18652 1 134 . 1 1 33 33 GLN CA C 13 51.58 0.2 . 1 . . . . 522 GLN CA . 18652 1 135 . 1 1 33 33 GLN N N 15 124.84 0.1 . 1 . . . . 522 GLN N . 18652 1 136 . 1 1 34 34 MET H H 1 8.86 0.02 . 1 . . . . 523 MET H . 18652 1 137 . 1 1 34 34 MET HA H 1 5.08 0.02 . 1 . . . . 523 MET HA . 18652 1 138 . 1 1 34 34 MET C C 13 170.84 0.2 . 1 . . . . 523 MET C . 18652 1 139 . 1 1 34 34 MET CA C 13 52.32 0.2 . 1 . . . . 523 MET CA . 18652 1 140 . 1 1 34 34 MET N N 15 125.84 0.1 . 1 . . . . 523 MET N . 18652 1 141 . 1 1 35 35 ASN H H 1 7.64 0.02 . 1 . . . . 524 ASN H . 18652 1 142 . 1 1 35 35 ASN HA H 1 4.93 0.02 . 1 . . . . 524 ASN HA . 18652 1 143 . 1 1 35 35 ASN C C 13 172.91 0.2 . 1 . . . . 524 ASN C . 18652 1 144 . 1 1 35 35 ASN CA C 13 48.99 0.2 . 1 . . . . 524 ASN CA . 18652 1 145 . 1 1 35 35 ASN N N 15 123.03 0.1 . 1 . . . . 524 ASN N . 18652 1 146 . 1 1 36 36 GLU H H 1 8.92 0.02 . 1 . . . . 525 GLU H . 18652 1 147 . 1 1 36 36 GLU HA H 1 3.98 0.02 . 1 . . . . 525 GLU HA . 18652 1 148 . 1 1 36 36 GLU C C 13 175.98 0.2 . 1 . . . . 525 GLU C . 18652 1 149 . 1 1 36 36 GLU CA C 13 58.1 0.2 . 1 . . . . 525 GLU CA . 18652 1 150 . 1 1 36 36 GLU N N 15 120.41 0.1 . 1 . . . . 525 GLU N . 18652 1 151 . 1 1 37 37 GLU H H 1 8.91 0.02 . 1 . . . . 526 GLU H . 18652 1 152 . 1 1 37 37 GLU HA H 1 4.02 0.02 . 1 . . . . 526 GLU HA . 18652 1 153 . 1 1 37 37 GLU C C 13 177.44 0.2 . 1 . . . . 526 GLU C . 18652 1 154 . 1 1 37 37 GLU CA C 13 57.77 0.2 . 1 . . . . 526 GLU CA . 18652 1 155 . 1 1 37 37 GLU N N 15 118.78 0.1 . 1 . . . . 526 GLU N . 18652 1 156 . 1 1 38 38 ALA H H 1 8.48 0.02 . 1 . . . . 527 ALA H . 18652 1 157 . 1 1 38 38 ALA HA H 1 3.84 0.02 . 1 . . . . 527 ALA HA . 18652 1 158 . 1 1 38 38 ALA C C 13 176.04 0.2 . 1 . . . . 527 ALA C . 18652 1 159 . 1 1 38 38 ALA CA C 13 53.25 0.2 . 1 . . . . 527 ALA CA . 18652 1 160 . 1 1 38 38 ALA N N 15 122.71 0.1 . 1 . . . . 527 ALA N . 18652 1 161 . 1 1 39 39 MET H H 1 7.93 0.02 . 1 . . . . 528 MET H . 18652 1 162 . 1 1 39 39 MET HA H 1 3.81 0.02 . 1 . . . . 528 MET HA . 18652 1 163 . 1 1 39 39 MET C C 13 175.19 0.2 . 1 . . . . 528 MET C . 18652 1 164 . 1 1 39 39 MET CA C 13 58.63 0.2 . 1 . . . . 528 MET CA . 18652 1 165 . 1 1 39 39 MET N N 15 117.29 0.1 . 1 . . . . 528 MET N . 18652 1 166 . 1 1 40 40 LEU H H 1 8.56 0.02 . 1 . . . . 529 LEU H . 18652 1 167 . 1 1 40 40 LEU HA H 1 4.01 0.02 . 1 . . . . 529 LEU HA . 18652 1 168 . 1 1 40 40 LEU C C 13 175.51 0.2 . 1 . . . . 529 LEU C . 18652 1 169 . 1 1 40 40 LEU CA C 13 55.44 0.2 . 1 . . . . 529 LEU CA . 18652 1 170 . 1 1 40 40 LEU N N 15 118.5 0.1 . 1 . . . . 529 LEU N . 18652 1 171 . 1 1 41 41 LYS H H 1 7.75 0.02 . 1 . . . . 530 LYS H . 18652 1 172 . 1 1 41 41 LYS HA H 1 4.22 0.02 . 1 . . . . 530 LYS HA . 18652 1 173 . 1 1 41 41 LYS C C 13 176.06 0.2 . 1 . . . . 530 LYS C . 18652 1 174 . 1 1 41 41 LYS CA C 13 57.5 0.2 . 1 . . . . 530 LYS CA . 18652 1 175 . 1 1 41 41 LYS N N 15 119.81 0.1 . 1 . . . . 530 LYS N . 18652 1 176 . 1 1 42 42 VAL H H 1 7.84 0.02 . 1 . . . . 531 VAL H . 18652 1 177 . 1 1 42 42 VAL HA H 1 3.82 0.02 . 1 . . . . 531 VAL HA . 18652 1 178 . 1 1 42 42 VAL C C 13 175.36 0.2 . 1 . . . . 531 VAL C . 18652 1 179 . 1 1 42 42 VAL CA C 13 64.42 0.2 . 1 . . . . 531 VAL CA . 18652 1 180 . 1 1 42 42 VAL N N 15 118.97 0.1 . 1 . . . . 531 VAL N . 18652 1 181 . 1 1 43 43 ILE H H 1 8.18 0.02 . 1 . . . . 532 ILE H . 18652 1 182 . 1 1 43 43 ILE HA H 1 3.50 0.02 . 1 . . . . 532 ILE HA . 18652 1 183 . 1 1 43 43 ILE C C 13 174.39 0.2 . 1 . . . . 532 ILE C . 18652 1 184 . 1 1 43 43 ILE CA C 13 63.35 0.2 . 1 . . . . 532 ILE CA . 18652 1 185 . 1 1 43 43 ILE N N 15 118.59 0.1 . 1 . . . . 532 ILE N . 18652 1 186 . 1 1 44 44 ARG H H 1 8.82 0.02 . 1 . . . . 533 ARG H . 18652 1 187 . 1 1 44 44 ARG HA H 1 4.18 0.02 . 1 . . . . 533 ARG HA . 18652 1 188 . 1 1 44 44 ARG C C 13 176.02 0.2 . 1 . . . . 533 ARG C . 18652 1 189 . 1 1 44 44 ARG CA C 13 56.84 0.2 . 1 . . . . 533 ARG CA . 18652 1 190 . 1 1 44 44 ARG N N 15 114.74 0.1 . 1 . . . . 533 ARG N . 18652 1 191 . 1 1 45 45 GLN H H 1 8.72 0.02 . 1 . . . . 534 GLN H . 18652 1 192 . 1 1 45 45 GLN HA H 1 5.06 0.02 . 1 . . . . 534 GLN HA . 18652 1 193 . 1 1 45 45 GLN C C 13 174.66 0.2 . 1 . . . . 534 GLN C . 18652 1 194 . 1 1 45 45 GLN CA C 13 54.18 0.2 . 1 . . . . 534 GLN CA . 18652 1 195 . 1 1 45 45 GLN N N 15 110.5 0.1 . 1 . . . . 534 GLN N . 18652 1 196 . 1 1 46 46 TYR H H 1 8.3 0.02 . 1 . . . . 535 TYR H . 18652 1 197 . 1 1 46 46 TYR HA H 1 4.72 0.02 . 1 . . . . 535 TYR HA . 18652 1 198 . 1 1 46 46 TYR C C 13 172 0.2 . 1 . . . . 535 TYR C . 18652 1 199 . 1 1 46 46 TYR CA C 13 56.04 0.2 . 1 . . . . 535 TYR CA . 18652 1 200 . 1 1 46 46 TYR N N 15 115.47 0.1 . 1 . . . . 535 TYR N . 18652 1 201 . 1 1 47 47 THR H H 1 7.43 0.02 . 1 . . . . 536 THR H . 18652 1 202 . 1 1 47 47 THR HA H 1 4.93 0.02 . 1 . . . . 536 THR HA . 18652 1 203 . 1 1 47 47 THR C C 13 168.28 0.2 . 1 . . . . 536 THR C . 18652 1 204 . 1 1 47 47 THR CA C 13 57.04 0.2 . 1 . . . . 536 THR CA . 18652 1 205 . 1 1 47 47 THR N N 15 108.1 0.1 . 1 . . . . 536 THR N . 18652 1 206 . 1 1 48 48 ARG H H 1 8.91 0.02 . 1 . . . . 537 ARG H . 18652 1 207 . 1 1 48 48 ARG C C 13 107.79 0.2 . 1 . . . . 537 ARG C . 18652 1 208 . 1 1 48 48 ARG CA C 13 53.59 0.2 . 1 . . . . 537 ARG CA . 18652 1 209 . 1 1 48 48 ARG N N 15 123.04 0.1 . 1 . . . . 537 ARG N . 18652 1 210 . 1 1 49 49 GLU H H 1 8.72 0.02 . 1 . . . . 538 GLU H . 18652 1 211 . 1 1 49 49 GLU HA H 1 4.91 0.02 . 1 . . . . 538 GLU HA . 18652 1 212 . 1 1 49 49 GLU C C 13 172.55 0.2 . 1 . . . . 538 GLU C . 18652 1 213 . 1 1 49 49 GLU CA C 13 51.9 0.2 . 1 . . . . 538 GLU CA . 18652 1 214 . 1 1 49 49 GLU N N 15 121.39 0.1 . 1 . . . . 538 GLU N . 18652 1 215 . 1 1 50 50 ALA C C 13 176.19 0.2 . 1 . . . . 539 ALA C . 18652 1 216 . 1 1 50 50 ALA CA C 13 51.41 0.2 . 1 . . . . 539 ALA CA . 18652 1 217 . 1 1 51 51 GLY H H 1 7.68 0.02 . 1 . . . . 540 GLY H . 18652 1 218 . 1 1 51 51 GLY HA2 H 1 3.98 0.02 . . . . . . 540 GLY HA2 . 18652 1 219 . 1 1 51 51 GLY HA3 H 1 3.98 0.02 . . . . . . 540 GLY HA3 . 18652 1 220 . 1 1 51 51 GLY C C 13 169.72 0.2 . 1 . . . . 540 GLY C . 18652 1 221 . 1 1 51 51 GLY CA C 13 41.87 0.2 . 1 . . . . 540 GLY CA . 18652 1 222 . 1 1 51 51 GLY N N 15 106.3 0.1 . 1 . . . . 540 GLY N . 18652 1 223 . 1 1 52 52 VAL H H 1 8.49 0.02 . 1 . . . . 541 VAL H . 18652 1 224 . 1 1 52 52 VAL HA H 1 4.99 0.02 . 1 . . . . 541 VAL HA . 18652 1 225 . 1 1 52 52 VAL C C 13 173.54 0.2 . 1 . . . . 541 VAL C . 18652 1 226 . 1 1 52 52 VAL CA C 13 57.44 0.2 . 1 . . . . 541 VAL CA . 18652 1 227 . 1 1 52 52 VAL N N 15 108.72 0.1 . 1 . . . . 541 VAL N . 18652 1 228 . 1 1 53 53 ARG H H 1 7.79 0.02 . 1 . . . . 542 ARG H . 18652 1 229 . 1 1 53 53 ARG HA H 1 4.13 0.02 . 1 . . . . 542 ARG HA . 18652 1 230 . 1 1 53 53 ARG C C 13 177.24 0.2 . 1 . . . . 542 ARG C . 18652 1 231 . 1 1 53 53 ARG CA C 13 57.7 0.2 . 1 . . . . 542 ARG CA . 18652 1 232 . 1 1 53 53 ARG N N 15 124.16 0.1 . 1 . . . . 542 ARG N . 18652 1 233 . 1 1 54 54 ASN H H 1 11.86 0.02 . 1 . . . . 543 ASN H . 18652 1 234 . 1 1 54 54 ASN HA H 1 4.67 0.02 . 1 . . . . 543 ASN HA . 18652 1 235 . 1 1 54 54 ASN C C 13 176.34 0.2 . 1 . . . . 543 ASN C . 18652 1 236 . 1 1 54 54 ASN CA C 13 53.65 0.2 . 1 . . . . 543 ASN CA . 18652 1 237 . 1 1 54 54 ASN N N 15 124.34 0.1 . 1 . . . . 543 ASN N . 18652 1 238 . 1 1 55 55 LEU H H 1 9.22 0.02 . 1 . . . . 544 LEU H . 18652 1 239 . 1 1 55 55 LEU HA H 1 3.92 0.02 . 1 . . . . 544 LEU HA . 18652 1 240 . 1 1 55 55 LEU C C 13 175.62 0.2 . 1 . . . . 544 LEU C . 18652 1 241 . 1 1 55 55 LEU CA C 13 55.57 0.2 . 1 . . . . 544 LEU CA . 18652 1 242 . 1 1 55 55 LEU N N 15 126.7 0.1 . 1 . . . . 544 LEU N . 18652 1 243 . 1 1 56 56 ASN H H 1 8.52 0.02 . 1 . . . . 545 ASN H . 18652 1 244 . 1 1 56 56 ASN HA H 1 4.43 0.02 . 1 . . . . 545 ASN HA . 18652 1 245 . 1 1 56 56 ASN C C 13 174.18 0.2 . 1 . . . . 545 ASN C . 18652 1 246 . 1 1 56 56 ASN CA C 13 54.31 0.2 . 1 . . . . 545 ASN CA . 18652 1 247 . 1 1 56 56 ASN N N 15 115.94 0.1 . 1 . . . . 545 ASN N . 18652 1 248 . 1 1 57 57 ARG H H 1 7.39 0.02 . 1 . . . . 546 ARG H . 18652 1 249 . 1 1 57 57 ARG HA H 1 4.12 0.02 . 1 . . . . 546 ARG HA . 18652 1 250 . 1 1 57 57 ARG C C 13 176.4 0.2 . 1 . . . . 546 ARG C . 18652 1 251 . 1 1 57 57 ARG CA C 13 56.9 0.2 . 1 . . . . 546 ARG CA . 18652 1 252 . 1 1 57 57 ARG N N 15 118.64 0.1 . 1 . . . . 546 ARG N . 18652 1 253 . 1 1 58 58 GLU H H 1 8.3 0.02 . 1 . . . . 547 GLU H . 18652 1 254 . 1 1 58 58 GLU HA H 1 4.75 0.02 . 1 . . . . 547 GLU HA . 18652 1 255 . 1 1 58 58 GLU C C 13 176.86 0.2 . 1 . . . . 547 GLU C . 18652 1 256 . 1 1 58 58 GLU CA C 13 55.17 0.2 . 1 . . . . 547 GLU CA . 18652 1 257 . 1 1 58 58 GLU N N 15 117.92 0.1 . 1 . . . . 547 GLU N . 18652 1 258 . 1 1 59 59 ALA H H 1 8.55 0.02 . 1 . . . . 548 ALA H . 18652 1 259 . 1 1 59 59 ALA HA H 1 3.86 0.02 . 1 . . . . 548 ALA HA . 18652 1 260 . 1 1 59 59 ALA C C 13 176.48 0.2 . 1 . . . . 548 ALA C . 18652 1 261 . 1 1 59 59 ALA CA C 13 53.18 0.2 . 1 . . . . 548 ALA CA . 18652 1 262 . 1 1 59 59 ALA N N 15 121.9 0.1 . 1 . . . . 548 ALA N . 18652 1 263 . 1 1 60 60 ALA H H 1 8.22 0.02 . 1 . . . . 549 ALA H . 18652 1 264 . 1 1 60 60 ALA HA H 1 3.82 0.02 . 1 . . . . 549 ALA HA . 18652 1 265 . 1 1 60 60 ALA C C 13 175.98 0.2 . 1 . . . . 549 ALA C . 18652 1 266 . 1 1 60 60 ALA CA C 13 53.31 0.2 . 1 . . . . 549 ALA CA . 18652 1 267 . 1 1 60 60 ALA N N 15 121.31 0.1 . 1 . . . . 549 ALA N . 18652 1 268 . 1 1 61 61 ASN H H 1 8.19 0.02 . 1 . . . . 550 ASN H . 18652 1 269 . 1 1 61 61 ASN HA H 1 4.41 0.02 . 1 . . . . 550 ASN HA . 18652 1 270 . 1 1 61 61 ASN C C 13 175.28 0.2 . 1 . . . . 550 ASN C . 18652 1 271 . 1 1 61 61 ASN CA C 13 53.38 0.2 . 1 . . . . 550 ASN CA . 18652 1 272 . 1 1 61 61 ASN N N 15 117.2 0.1 . 1 . . . . 550 ASN N . 18652 1 273 . 1 1 62 62 ILE H H 1 8.35 0.02 . 1 . . . . 551 ILE H . 18652 1 274 . 1 1 62 62 ILE HA H 1 3.35 0.02 . 1 . . . . 551 ILE HA . 18652 1 275 . 1 1 62 62 ILE C C 13 174.33 0.2 . 1 . . . . 551 ILE C . 18652 1 276 . 1 1 62 62 ILE CA C 13 63.16 0.2 . 1 . . . . 551 ILE CA . 18652 1 277 . 1 1 62 62 ILE N N 15 119.45 0.1 . 1 . . . . 551 ILE N . 18652 1 278 . 1 1 63 63 CYS H H 1 7.48 0.02 . 1 . . . . 552 CYS H . 18652 1 279 . 1 1 63 63 CYS HA H 1 3.78 0.02 . 1 . . . . 552 CYS HA . 18652 1 280 . 1 1 63 63 CYS C C 13 172.82 0.2 . 1 . . . . 552 CYS C . 18652 1 281 . 1 1 63 63 CYS CA C 13 61.96 0.2 . 1 . . . . 552 CYS CA . 18652 1 282 . 1 1 63 63 CYS N N 15 116.04 0.1 . 1 . . . . 552 CYS N . 18652 1 283 . 1 1 64 64 ARG H H 1 8.68 0.02 . 1 . . . . 553 ARG H . 18652 1 284 . 1 1 64 64 ARG HA H 1 3.78 0.02 . 1 . . . . 553 ARG HA . 18652 1 285 . 1 1 64 64 ARG C C 13 177.03 0.2 . 1 . . . . 553 ARG C . 18652 1 286 . 1 1 64 64 ARG CA C 13 57.24 0.2 . 1 . . . . 553 ARG CA . 18652 1 287 . 1 1 64 64 ARG N N 15 121 0.1 . 1 . . . . 553 ARG N . 18652 1 288 . 1 1 65 65 LYS H H 1 7.89 0.02 . 1 . . . . 554 LYS H . 18652 1 289 . 1 1 65 65 LYS HA H 1 4.08 0.02 . 1 . . . . 554 LYS HA . 18652 1 290 . 1 1 65 65 LYS C C 13 176.82 0.2 . 1 . . . . 554 LYS C . 18652 1 291 . 1 1 65 65 LYS CA C 13 56.57 0.2 . 1 . . . . 554 LYS CA . 18652 1 292 . 1 1 65 65 LYS N N 15 118.22 0.1 . 1 . . . . 554 LYS N . 18652 1 293 . 1 1 66 66 ALA H H 1 8.65 0.02 . 1 . . . . 555 ALA H . 18652 1 294 . 1 1 66 66 ALA HA H 1 4.05 0.02 . 1 . . . . 555 ALA HA . 18652 1 295 . 1 1 66 66 ALA C C 13 176.06 0.2 . 1 . . . . 555 ALA C . 18652 1 296 . 1 1 66 66 ALA CA C 13 52.85 0.2 . 1 . . . . 555 ALA CA . 18652 1 297 . 1 1 66 66 ALA N N 15 121.54 0.1 . 1 . . . . 555 ALA N . 18652 1 298 . 1 1 67 67 ALA H H 1 8.6 0.02 . 1 . . . . 556 ALA H . 18652 1 299 . 1 1 67 67 ALA HA H 1 4.04 0.02 . 1 . . . . 556 ALA HA . 18652 1 300 . 1 1 67 67 ALA C C 13 177.03 0.2 . 1 . . . . 556 ALA C . 18652 1 301 . 1 1 67 67 ALA CA C 13 53.11 0.2 . 1 . . . . 556 ALA CA . 18652 1 302 . 1 1 67 67 ALA N N 15 118.11 0.1 . 1 . . . . 556 ALA N . 18652 1 303 . 1 1 68 68 ARG H H 1 7.43 0.02 . 1 . . . . 557 ARG H . 18652 1 304 . 1 1 68 68 ARG HA H 1 4.19 0.02 . 1 . . . . 557 ARG HA . 18652 1 305 . 1 1 68 68 ARG C C 13 176.74 0.2 . 1 . . . . 557 ARG C . 18652 1 306 . 1 1 68 68 ARG CA C 13 56.24 0.2 . 1 . . . . 557 ARG CA . 18652 1 307 . 1 1 68 68 ARG N N 15 116.55 0.1 . 1 . . . . 557 ARG N . 18652 1 308 . 1 1 69 69 LEU H H 1 7.69 0.02 . 1 . . . . 558 LEU H . 18652 1 309 . 1 1 69 69 LEU C C 13 175.59 0.2 . 1 . . . . 558 LEU C . 18652 1 310 . 1 1 69 69 LEU CA C 13 55.57 0.2 . 1 . . . . 558 LEU CA . 18652 1 311 . 1 1 69 69 LEU N N 15 120.01 0.1 . 1 . . . . 558 LEU N . 18652 1 312 . 1 1 70 70 ILE H H 1 7.72 0.02 . 1 . . . . 559 ILE H . 18652 1 313 . 1 1 70 70 ILE HA H 1 4.49 0.02 . 1 . . . . 559 ILE HA . 18652 1 314 . 1 1 70 70 ILE C C 13 178.17 0.2 . 1 . . . . 559 ILE C . 18652 1 315 . 1 1 70 70 ILE CA C 13 60.03 0.2 . 1 . . . . 559 ILE CA . 18652 1 316 . 1 1 70 70 ILE N N 15 118.51 0.1 . 1 . . . . 559 ILE N . 18652 1 317 . 1 1 71 71 VAL H H 1 8.87 0.02 . 1 . . . . 560 VAL H . 18652 1 318 . 1 1 71 71 VAL HA H 1 3.94 0.02 . 1 . . . . 560 VAL HA . 18652 1 319 . 1 1 71 71 VAL C C 13 175.57 0.2 . 1 . . . . 560 VAL C . 18652 1 320 . 1 1 71 71 VAL CA C 13 63.16 0.2 . 1 . . . . 560 VAL CA . 18652 1 321 . 1 1 71 71 VAL N N 15 121.71 0.1 . 1 . . . . 560 VAL N . 18652 1 322 . 1 1 72 72 SER H H 1 7.92 0.02 . 1 . . . . 561 SER H . 18652 1 323 . 1 1 72 72 SER HA H 1 4.44 0.02 . 1 . . . . 561 SER HA . 18652 1 324 . 1 1 72 72 SER C C 13 173.01 0.2 . 1 . . . . 561 SER C . 18652 1 325 . 1 1 72 72 SER CA C 13 57.1 0.2 . 1 . . . . 561 SER CA . 18652 1 326 . 1 1 72 72 SER N N 15 112.68 0.1 . 1 . . . . 561 SER N . 18652 1 327 . 1 1 73 73 GLY H H 1 7.79 0.02 . 1 . . . . 562 GLY H . 18652 1 328 . 1 1 73 73 GLY HA2 H 1 4.32 0.02 . . . . . . 562 GLY HA2 . 18652 1 329 . 1 1 73 73 GLY HA3 H 1 3.88 0.02 . . . . . . 562 GLY HA3 . 18652 1 330 . 1 1 73 73 GLY C C 13 171.79 0.2 . 1 . . . . 562 GLY C . 18652 1 331 . 1 1 73 73 GLY CA C 13 42.61 0.2 . 1 . . . . 562 GLY CA . 18652 1 332 . 1 1 73 73 GLY N N 15 109.48 0.1 . 1 . . . . 562 GLY N . 18652 1 333 . 1 1 74 74 GLU H H 1 8.1 0.02 . 1 . . . . 563 GLU H . 18652 1 334 . 1 1 74 74 GLU HA H 1 4.11 0.02 . 1 . . . . 563 GLU HA . 18652 1 335 . 1 1 74 74 GLU C C 13 174.41 0.2 . 1 . . . . 563 GLU C . 18652 1 336 . 1 1 74 74 GLU CA C 13 56.51 0.2 . 1 . . . . 563 GLU CA . 18652 1 337 . 1 1 74 74 GLU N N 15 121.68 0.1 . 1 . . . . 563 GLU N . 18652 1 338 . 1 1 75 75 LYS H H 1 7.53 0.02 . 1 . . . . 564 LYS H . 18652 1 339 . 1 1 75 75 LYS C C 13 172.99 0.2 . 1 . . . . 564 LYS C . 18652 1 340 . 1 1 75 75 LYS CA C 13 50.99 0.2 . 1 . . . . 564 LYS CA . 18652 1 341 . 1 1 75 75 LYS N N 15 114.11 0.1 . 1 . . . . 564 LYS N . 18652 1 342 . 1 1 76 76 LYS C C 13 173.4 0.2 . 1 . . . . 565 LYS C . 18652 1 343 . 1 1 76 76 LYS CA C 13 54.64 0.2 . 1 . . . . 565 LYS CA . 18652 1 344 . 1 1 77 77 ARG H H 1 7.46 0.02 . 1 . . . . 566 ARG H . 18652 1 345 . 1 1 77 77 ARG HA H 1 4.67 0.02 . 1 . . . . 566 ARG HA . 18652 1 346 . 1 1 77 77 ARG C C 13 171.53 0.2 . 1 . . . . 566 ARG C . 18652 1 347 . 1 1 77 77 ARG CA C 13 52.25 0.2 . 1 . . . . 566 ARG CA . 18652 1 348 . 1 1 77 77 ARG N N 15 114.56 0.1 . 1 . . . . 566 ARG N . 18652 1 349 . 1 1 78 78 VAL H H 1 8.81 0.02 . 1 . . . . 567 VAL H . 18652 1 350 . 1 1 78 78 VAL HA H 1 4.26 0.02 . 1 . . . . 567 VAL HA . 18652 1 351 . 1 1 78 78 VAL C C 13 170.82 0.2 . 1 . . . . 567 VAL C . 18652 1 352 . 1 1 78 78 VAL CA C 13 59.76 0.2 . 1 . . . . 567 VAL CA . 18652 1 353 . 1 1 78 78 VAL N N 15 124.45 0.1 . 1 . . . . 567 VAL N . 18652 1 354 . 1 1 79 79 VAL H H 1 8.42 0.02 . 1 . . . . 568 VAL H . 18652 1 355 . 1 1 79 79 VAL HA H 1 4.51 0.02 . 1 . . . . 568 VAL HA . 18652 1 356 . 1 1 79 79 VAL C C 13 173.31 0.2 . 1 . . . . 568 VAL C . 18652 1 357 . 1 1 79 79 VAL CA C 13 59.3 0.2 . 1 . . . . 568 VAL CA . 18652 1 358 . 1 1 79 79 VAL N N 15 128.75 0.1 . 1 . . . . 568 VAL N . 18652 1 359 . 1 1 80 80 VAL H H 1 9.37 0.02 . 1 . . . . 569 VAL H . 18652 1 360 . 1 1 80 80 VAL HA H 1 4.06 0.02 . 1 . . . . 569 VAL HA . 18652 1 361 . 1 1 80 80 VAL C C 13 171.41 0.2 . 1 . . . . 569 VAL C . 18652 1 362 . 1 1 80 80 VAL CA C 13 59.83 0.2 . 1 . . . . 569 VAL CA . 18652 1 363 . 1 1 80 80 VAL N N 15 129.47 0.1 . 1 . . . . 569 VAL N . 18652 1 364 . 1 1 81 81 THR H H 1 8.09 0.02 . 1 . . . . 570 THR H . 18652 1 365 . 1 1 81 81 THR HA H 1 4.94 0.02 . 1 . . . . 570 THR HA . 18652 1 366 . 1 1 81 81 THR C C 13 171.4 0.2 . 1 . . . . 570 THR C . 18652 1 367 . 1 1 81 81 THR CA C 13 56.97 0.2 . 1 . . . . 570 THR CA . 18652 1 368 . 1 1 81 81 THR N N 15 118.49 0.1 . 1 . . . . 570 THR N . 18652 1 369 . 1 1 83 83 LYS C C 13 176.27 0.2 . 1 . . . . 572 LYS C . 18652 1 370 . 1 1 83 83 LYS CA C 13 56.24 0.2 . 1 . . . . 572 LYS CA . 18652 1 371 . 1 1 84 84 THR H H 1 7.86 0.02 . 1 . . . . 573 THR H . 18652 1 372 . 1 1 84 84 THR HA H 1 4.42 0.02 . 1 . . . . 573 THR HA . 18652 1 373 . 1 1 84 84 THR C C 13 174.83 0.2 . 1 . . . . 573 THR C . 18652 1 374 . 1 1 84 84 THR CA C 13 61.16 0.2 . 1 . . . . 573 THR CA . 18652 1 375 . 1 1 84 84 THR N N 15 112.72 0.1 . 1 . . . . 573 THR N . 18652 1 376 . 1 1 85 85 VAL H H 1 8.13 0.02 . 1 . . . . 574 VAL H . 18652 1 377 . 1 1 85 85 VAL HA H 1 3.39 0.02 . 1 . . . . 574 VAL HA . 18652 1 378 . 1 1 85 85 VAL C C 13 174.16 0.2 . 1 . . . . 574 VAL C . 18652 1 379 . 1 1 85 85 VAL CA C 13 64.68 0.2 . 1 . . . . 574 VAL CA . 18652 1 380 . 1 1 85 85 VAL N N 15 121.56 0.1 . 1 . . . . 574 VAL N . 18652 1 381 . 1 1 86 86 GLU H H 1 7.81 0.02 . 1 . . . . 575 GLU H . 18652 1 382 . 1 1 86 86 GLU HA H 1 4.44 0.02 . 1 . . . . 575 GLU HA . 18652 1 383 . 1 1 86 86 GLU C C 13 176.86 0.2 . 1 . . . . 575 GLU C . 18652 1 384 . 1 1 86 86 GLU CA C 13 56.04 0.2 . 1 . . . . 575 GLU CA . 18652 1 385 . 1 1 86 86 GLU N N 15 118.02 0.1 . 1 . . . . 575 GLU N . 18652 1 386 . 1 1 87 87 SER H H 1 7.64 0.02 . 1 . . . . 576 SER H . 18652 1 387 . 1 1 87 87 SER HA H 1 4.10 0.02 . 1 . . . . 576 SER HA . 18652 1 388 . 1 1 87 87 SER C C 13 172.61 0.2 . 1 . . . . 576 SER C . 18652 1 389 . 1 1 87 87 SER CA C 13 58.57 0.2 . 1 . . . . 576 SER CA . 18652 1 390 . 1 1 87 87 SER N N 15 115.26 0.1 . 1 . . . . 576 SER N . 18652 1 391 . 1 1 88 88 LEU H H 1 7.55 0.02 . 1 . . . . 577 LEU H . 18652 1 392 . 1 1 88 88 LEU HA H 1 4.36 0.02 . 1 . . . . 577 LEU HA . 18652 1 393 . 1 1 88 88 LEU C C 13 174.6 0.2 . 1 . . . . 577 LEU C . 18652 1 394 . 1 1 88 88 LEU CA C 13 54.04 0.2 . 1 . . . . 577 LEU CA . 18652 1 395 . 1 1 88 88 LEU N N 15 118.74 0.1 . 1 . . . . 577 LEU N . 18652 1 396 . 1 1 89 89 LEU H H 1 8.31 0.02 . 1 . . . . 578 LEU H . 18652 1 397 . 1 1 89 89 LEU HA H 1 4.46 0.02 . 1 . . . . 578 LEU HA . 18652 1 398 . 1 1 89 89 LEU C C 13 175.55 0.2 . 1 . . . . 578 LEU C . 18652 1 399 . 1 1 89 89 LEU CA C 13 51.85 0.2 . 1 . . . . 578 LEU CA . 18652 1 400 . 1 1 89 89 LEU N N 15 114 0.1 . 1 . . . . 578 LEU N . 18652 1 401 . 1 1 90 90 GLY H H 1 7.75 0.02 . 1 . . . . 579 GLY H . 18652 1 402 . 1 1 90 90 GLY HA2 H 1 3.98 0.02 . . . . . . 579 GLY HA2 . 18652 1 403 . 1 1 90 90 GLY HA3 H 1 3.98 0.02 . . . . . . 579 GLY HA3 . 18652 1 404 . 1 1 90 90 GLY C C 13 170.44 0.2 . 1 . . . . 579 GLY C . 18652 1 405 . 1 1 90 90 GLY CA C 13 41.14 0.2 . 1 . . . . 579 GLY CA . 18652 1 406 . 1 1 90 90 GLY N N 15 108.59 0.1 . 1 . . . . 579 GLY N . 18652 1 407 . 1 1 91 91 LYS H H 1 8.54 0.02 . 1 . . . . 580 LYS H . 18652 1 408 . 1 1 91 91 LYS HA H 1 4.32 0.02 . 1 . . . . 580 LYS HA . 18652 1 409 . 1 1 91 91 LYS C C 13 173.92 0.2 . 1 . . . . 580 LYS C . 18652 1 410 . 1 1 91 91 LYS CA C 13 52.85 0.2 . 1 . . . . 580 LYS CA . 18652 1 411 . 1 1 91 91 LYS N N 15 121.08 0.1 . 1 . . . . 580 LYS N . 18652 1 412 . 1 1 92 92 PRO C C 13 173.16 0.2 . 1 . . . . 581 PRO C . 18652 1 413 . 1 1 92 92 PRO CA C 13 60.91 0.2 . 1 . . . . 581 PRO CA . 18652 1 414 . 1 1 93 93 ARG H H 1 6.57 0.02 . 1 . . . . 582 ARG H . 18652 1 415 . 1 1 93 93 ARG HA H 1 3.95 0.02 . 1 . . . . 582 ARG HA . 18652 1 416 . 1 1 93 93 ARG C C 13 172.87 0.2 . 1 . . . . 582 ARG C . 18652 1 417 . 1 1 93 93 ARG CA C 13 54.48 0.2 . 1 . . . . 582 ARG CA . 18652 1 418 . 1 1 93 93 ARG N N 15 120.64 0.1 . 1 . . . . 582 ARG N . 18652 1 419 . 1 1 94 94 TYR H H 1 7.89 0.02 . 1 . . . . 583 TYR H . 18652 1 420 . 1 1 94 94 TYR HA H 1 4.88 0.02 . 1 . . . . 583 TYR HA . 18652 1 421 . 1 1 94 94 TYR C C 13 172.38 0.2 . 1 . . . . 583 TYR C . 18652 1 422 . 1 1 94 94 TYR CA C 13 53.49 0.2 . 1 . . . . 583 TYR CA . 18652 1 423 . 1 1 94 94 TYR N N 15 117.14 0.1 . 1 . . . . 583 TYR N . 18652 1 424 . 1 1 95 95 ARG H H 1 8.55 0.02 . 1 . . . . 584 ARG H . 18652 1 425 . 1 1 95 95 ARG HA H 1 4.28 0.02 . 1 . . . . 584 ARG HA . 18652 1 426 . 1 1 95 95 ARG C C 13 173.14 0.2 . 1 . . . . 584 ARG C . 18652 1 427 . 1 1 95 95 ARG CA C 13 28.04 0.2 . 1 . . . . 584 ARG CA . 18652 1 428 . 1 1 95 95 ARG N N 15 120.46 0.1 . 1 . . . . 584 ARG N . 18652 1 429 . 1 1 96 96 TYR H H 1 8.35 0.02 . 1 . . . . 585 TYR H . 18652 1 430 . 1 1 96 96 TYR HA H 1 4.29 0.02 . 1 . . . . 585 TYR HA . 18652 1 431 . 1 1 96 96 TYR C C 13 173.01 0.2 . 1 . . . . 585 TYR C . 18652 1 432 . 1 1 96 96 TYR CA C 13 55.27 0.2 . 1 . . . . 585 TYR CA . 18652 1 433 . 1 1 96 96 TYR N N 15 121.79 0.1 . 1 . . . . 585 TYR N . 18652 1 434 . 1 1 97 97 GLY H H 1 8.32 0.02 . 1 . . . . 586 GLY H . 18652 1 435 . 1 1 97 97 GLY HA2 H 1 3.88 0.02 . . . . . . 586 GLY HA2 . 18652 1 436 . 1 1 97 97 GLY HA3 H 1 3.88 0.02 . . . . . . 586 GLY HA3 . 18652 1 437 . 1 1 97 97 GLY C C 13 171.17 0.2 . 1 . . . . 586 GLY C . 18652 1 438 . 1 1 97 97 GLY CA C 13 42.69 0.2 . 1 . . . . 586 GLY CA . 18652 1 439 . 1 1 97 97 GLY N N 15 112.81 0.1 . 1 . . . . 586 GLY N . 18652 1 440 . 1 1 98 98 LEU H H 1 7.96 0.02 . 1 . . . . 587 LEU H . 18652 1 441 . 1 1 98 98 LEU HA H 1 4.35 0.02 . 1 . . . . 587 LEU HA . 18652 1 442 . 1 1 98 98 LEU C C 13 174.52 0.2 . 1 . . . . 587 LEU C . 18652 1 443 . 1 1 98 98 LEU CA C 13 52.79 0.2 . 1 . . . . 587 LEU CA . 18652 1 444 . 1 1 98 98 LEU N N 15 121.73 0.1 . 1 . . . . 587 LEU N . 18652 1 445 . 1 1 99 99 ALA H H 1 8.27 0.02 . 1 . . . . 588 ALA H . 18652 1 446 . 1 1 99 99 ALA HA H 1 4.38 0.02 . 1 . . . . 588 ALA HA . 18652 1 447 . 1 1 99 99 ALA C C 13 175.04 0.2 . 1 . . . . 588 ALA C . 18652 1 448 . 1 1 99 99 ALA CA C 13 50.22 0.2 . 1 . . . . 588 ALA CA . 18652 1 449 . 1 1 99 99 ALA N N 15 123.98 0.1 . 1 . . . . 588 ALA N . 18652 1 450 . 1 1 100 100 GLU H H 1 8.26 0.02 . 1 . . . . 589 GLU H . 18652 1 451 . 1 1 100 100 GLU HA H 1 4.30 0.02 . 1 . . . . 589 GLU HA . 18652 1 452 . 1 1 100 100 GLU C C 13 173.84 0.2 . 1 . . . . 589 GLU C . 18652 1 453 . 1 1 100 100 GLU CA C 13 54.48 0.2 . 1 . . . . 589 GLU CA . 18652 1 454 . 1 1 100 100 GLU N N 15 119.75 0.1 . 1 . . . . 589 GLU N . 18652 1 455 . 1 1 101 101 ARG H H 1 8.2 0.02 . 1 . . . . 590 ARG H . 18652 1 456 . 1 1 101 101 ARG HA H 1 4.40 0.02 . 1 . . . . 590 ARG HA . 18652 1 457 . 1 1 101 101 ARG C C 13 173.8 0.2 . 1 . . . . 590 ARG C . 18652 1 458 . 1 1 101 101 ARG CA C 13 53.68 0.2 . 1 . . . . 590 ARG CA . 18652 1 459 . 1 1 101 101 ARG N N 15 120.45 0.1 . 1 . . . . 590 ARG N . 18652 1 460 . 1 1 102 102 GLU H H 1 8.5 0.02 . 1 . . . . 591 GLU H . 18652 1 461 . 1 1 102 102 GLU HA H 1 4.30 0.02 . 1 . . . . 591 GLU HA . 18652 1 462 . 1 1 102 102 GLU C C 13 173.65 0.2 . 1 . . . . 591 GLU C . 18652 1 463 . 1 1 102 102 GLU CA C 13 54.48 0.2 . 1 . . . . 591 GLU CA . 18652 1 464 . 1 1 102 102 GLU N N 15 121.76 0.1 . 1 . . . . 591 GLU N . 18652 1 465 . 1 1 103 103 ASP H H 1 8.36 0.02 . 1 . . . . 592 ASP H . 18652 1 466 . 1 1 103 103 ASP HA H 1 4.61 0.02 . 1 . . . . 592 ASP HA . 18652 1 467 . 1 1 103 103 ASP C C 13 173.58 0.2 . 1 . . . . 592 ASP C . 18652 1 468 . 1 1 103 103 ASP CA C 13 51.9 0.2 . 1 . . . . 592 ASP CA . 18652 1 469 . 1 1 103 103 ASP N N 15 120.25 0.1 . 1 . . . . 592 ASP N . 18652 1 470 . 1 1 104 104 GLN H H 1 8.19 0.02 . 1 . . . . 593 GLN H . 18652 1 471 . 1 1 104 104 GLN HA H 1 4.40 0.02 . 1 . . . . 593 GLN HA . 18652 1 472 . 1 1 104 104 GLN C C 13 173.48 0.2 . 1 . . . . 593 GLN C . 18652 1 473 . 1 1 104 104 GLN CA C 13 53.29 0.2 . 1 . . . . 593 GLN CA . 18652 1 474 . 1 1 104 104 GLN N N 15 119.93 0.1 . 1 . . . . 593 GLN N . 18652 1 475 . 1 1 105 105 VAL H H 1 8.11 0.02 . 1 . . . . 594 VAL H . 18652 1 476 . 1 1 105 105 VAL HA H 1 4.14 0.02 . 1 . . . . 594 VAL HA . 18652 1 477 . 1 1 105 105 VAL C C 13 174.18 0.2 . 1 . . . . 594 VAL C . 18652 1 478 . 1 1 105 105 VAL CA C 13 60.32 0.2 . 1 . . . . 594 VAL CA . 18652 1 479 . 1 1 105 105 VAL N N 15 121.08 0.1 . 1 . . . . 594 VAL N . 18652 1 480 . 1 1 106 106 GLY H H 1 8.45 0.02 . 1 . . . . 595 GLY H . 18652 1 481 . 1 1 106 106 GLY HA2 H 1 4.00 0.02 . . . . . . 595 GLY HA2 . 18652 1 482 . 1 1 106 106 GLY HA3 H 1 4.00 0.02 . . . . . . 595 GLY HA3 . 18652 1 483 . 1 1 106 106 GLY C C 13 171.19 0.2 . 1 . . . . 595 GLY C . 18652 1 484 . 1 1 106 106 GLY CA C 13 42.89 0.2 . 1 . . . . 595 GLY CA . 18652 1 485 . 1 1 106 106 GLY N N 15 112.17 0.1 . 1 . . . . 595 GLY N . 18652 1 486 . 1 1 107 107 ALA H H 1 8.06 0.02 . 1 . . . . 596 ALA H . 18652 1 487 . 1 1 107 107 ALA HA H 1 4.42 0.02 . 1 . . . . 596 ALA HA . 18652 1 488 . 1 1 107 107 ALA C C 13 175.24 0.2 . 1 . . . . 596 ALA C . 18652 1 489 . 1 1 107 107 ALA CA C 13 49.92 0.2 . 1 . . . . 596 ALA CA . 18652 1 490 . 1 1 107 107 ALA N N 15 123.59 0.1 . 1 . . . . 596 ALA N . 18652 1 491 . 1 1 108 108 VAL H H 1 8.17 0.02 . 1 . . . . 597 VAL H . 18652 1 492 . 1 1 108 108 VAL HA H 1 4.26 0.02 . 1 . . . . 597 VAL HA . 18652 1 493 . 1 1 108 108 VAL C C 13 173.78 0.2 . 1 . . . . 597 VAL C . 18652 1 494 . 1 1 108 108 VAL CA C 13 59.92 0.2 . 1 . . . . 597 VAL CA . 18652 1 495 . 1 1 108 108 VAL N N 15 119.08 0.1 . 1 . . . . 597 VAL N . 18652 1 496 . 1 1 109 109 THR H H 1 8.13 0.02 . 1 . . . . 598 THR H . 18652 1 497 . 1 1 109 109 THR HA H 1 4.40 0.02 . 1 . . . . 598 THR HA . 18652 1 498 . 1 1 109 109 THR C C 13 172.38 0.2 . 1 . . . . 598 THR C . 18652 1 499 . 1 1 109 109 THR CA C 13 59.43 0.2 . 1 . . . . 598 THR CA . 18652 1 500 . 1 1 109 109 THR N N 15 116.9 0.1 . 1 . . . . 598 THR N . 18652 1 501 . 1 1 110 110 GLY H H 1 8.34 0.02 . 1 . . . . 599 GLY H . 18652 1 502 . 1 1 110 110 GLY HA2 H 1 4.02 0.02 . . . . . . 599 GLY HA2 . 18652 1 503 . 1 1 110 110 GLY HA3 H 1 4.02 0.02 . . . . . . 599 GLY HA3 . 18652 1 504 . 1 1 110 110 GLY C C 13 170.43 0.2 . 1 . . . . 599 GLY C . 18652 1 505 . 1 1 110 110 GLY CA C 13 42.79 0.2 . 1 . . . . 599 GLY CA . 18652 1 506 . 1 1 110 110 GLY N N 15 111.35 0.1 . 1 . . . . 599 GLY N . 18652 1 507 . 1 1 111 111 LEU H H 1 7.74 0.02 . 1 . . . . 600 LEU H . 18652 1 508 . 1 1 111 111 LEU HA H 1 4.27 0.02 . 1 . . . . 600 LEU HA . 18652 1 509 . 1 1 111 111 LEU C C 13 170.43 0.2 . 1 . . . . 600 LEU C . 18652 1 510 . 1 1 111 111 LEU CA C 13 54.28 0.2 . 1 . . . . 600 LEU CA . 18652 1 511 . 1 1 111 111 LEU N N 15 127.26 0.1 . 1 . . . . 600 LEU N . 18652 1 512 . 1 1 112 112 ALA C C 13 175.34 0.2 . 1 . . . . 601 ALA C . 18652 1 513 . 1 1 112 112 ALA CA C 13 49.88 0.2 . 1 . . . . 601 ALA CA . 18652 1 514 . 1 1 113 113 TRP H H 1 8.15 0.02 . 1 . . . . 602 TRP H . 18652 1 515 . 1 1 113 113 TRP C C 13 174.03 0.2 . 1 . . . . 602 TRP C . 18652 1 516 . 1 1 113 113 TRP CA C 13 59.91 0.2 . 1 . . . . 602 TRP CA . 18652 1 517 . 1 1 113 113 TRP N N 15 118.79 0.1 . 1 . . . . 602 TRP N . 18652 1 518 . 1 1 114 114 THR H H 1 7.68 0.02 . 1 . . . . 603 THR H . 18652 1 519 . 1 1 114 114 THR CA C 13 59.9 0.2 . 1 . . . . 603 THR CA . 18652 1 520 . 1 1 114 114 THR N N 15 114.52 0.1 . 1 . . . . 603 THR N . 18652 1 stop_ save_