################################### # 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 53401 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RIPK1RHIM_chemicalshifts_SDS_pH7.6 _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' . . . 53401 1 2 '3D HNCA' . . . 53401 1 3 '3D CBCA(CO)NH' . . . 53401 1 4 '3D HNCO' . . . 53401 1 5 '3D HN(CA)CO' . . . 53401 1 6 '3D HNCACB' . . . 53401 1 7 '3D C(CO)NH' . . . 53401 1 8 '3D HNHA' . . . 53401 1 9 '3D HBHA(CO)NH' . . . 53401 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'spectrometer error' 'all 13C' . 2.66 . 53401 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 53401 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 SER HA H 1 4.440 0.00 . 1 . . . . . 479 SER HA . 53401 1 2 . 1 . 1 3 3 SER HB2 H 1 3.895 0.00 . 1 . . . . . 479 SER HB2 . 53401 1 3 . 1 . 1 3 3 SER HB3 H 1 3.772 0.00 . 1 . . . . . 479 SER HB3 . 53401 1 4 . 1 . 1 3 3 SER C C 13 174.577 0.00 . 1 . . . . . 479 SER C . 53401 1 5 . 1 . 1 3 3 SER CA C 13 58.411 0.01 . 1 . . . . . 479 SER CA . 53401 1 6 . 1 . 1 3 3 SER CB C 13 63.901 0.05 . 1 . . . . . 479 SER CB . 53401 1 7 . 1 . 1 4 4 ASP H H 1 8.513 0.00 . 1 . . . . . 480 ASP H . 53401 1 8 . 1 . 1 4 4 ASP HA H 1 4.511 0.00 . 1 . . . . . 480 ASP HA . 53401 1 9 . 1 . 1 4 4 ASP HB2 H 1 2.662 0.00 . 1 . . . . . 480 ASP HB2 . 53401 1 10 . 1 . 1 4 4 ASP HB3 H 1 2.588 0.00 . 1 . . . . . 480 ASP HB3 . 53401 1 11 . 1 . 1 4 4 ASP C C 13 176.269 0.00 . 1 . . . . . 480 ASP C . 53401 1 12 . 1 . 1 4 4 ASP CA C 13 54.927 0.04 . 1 . . . . . 480 ASP CA . 53401 1 13 . 1 . 1 4 4 ASP CB C 13 40.570 0.03 . 1 . . . . . 480 ASP CB . 53401 1 14 . 1 . 1 4 4 ASP N N 15 122.440 0.05 . 1 . . . . . 480 ASP N . 53401 1 15 . 1 . 1 5 5 LYS H H 1 8.031 0.00 . 1 . . . . . 481 LYS H . 53401 1 16 . 1 . 1 5 5 LYS HA H 1 4.142 0.00 . 1 . . . . . 481 LYS HA . 53401 1 17 . 1 . 1 5 5 LYS HB2 H 1 1.649 0.00 . 1 . . . . . 481 LYS HB2 . 53401 1 18 . 1 . 1 5 5 LYS C C 13 176.589 0.00 . 1 . . . . . 481 LYS C . 53401 1 19 . 1 . 1 5 5 LYS CA C 13 57.207 0.23 . 1 . . . . . 481 LYS CA . 53401 1 20 . 1 . 1 5 5 LYS CB C 13 33.036 0.06 . 1 . . . . . 481 LYS CB . 53401 1 21 . 1 . 1 5 5 LYS CG C 13 24.820 0.00 . 1 . . . . . 481 LYS CG . 53401 1 22 . 1 . 1 5 5 LYS CD C 13 28.869 0.00 . 1 . . . . . 481 LYS CD . 53401 1 23 . 1 . 1 5 5 LYS N N 15 119.294 0.01 . 1 . . . . . 481 LYS N . 53401 1 24 . 1 . 1 6 6 ILE H H 1 7.636 0.00 . 1 . . . . . 482 ILE H . 53401 1 25 . 1 . 1 6 6 ILE HA H 1 4.183 0.20 . 1 . . . . . 482 ILE HA . 53401 1 26 . 1 . 1 6 6 ILE HB H 1 1.774 0.00 . 1 . . . . . 482 ILE HB . 53401 1 27 . 1 . 1 6 6 ILE C C 13 175.594 0.01 . 1 . . . . . 482 ILE C . 53401 1 28 . 1 . 1 6 6 ILE CA C 13 61.462 0.04 . 1 . . . . . 482 ILE CA . 53401 1 29 . 1 . 1 6 6 ILE CB C 13 38.323 0.00 . 1 . . . . . 482 ILE CB . 53401 1 30 . 1 . 1 6 6 ILE N N 15 117.692 0.03 . 1 . . . . . 482 ILE N . 53401 1 31 . 1 . 1 7 7 HIS H H 1 7.953 0.01 . 1 . . . . . 483 HIS H . 53401 1 32 . 1 . 1 7 7 HIS HA H 1 4.552 0.00 . 1 . . . . . 483 HIS HA . 53401 1 33 . 1 . 1 7 7 HIS C C 13 174.604 0.00 . 1 . . . . . 483 HIS C . 53401 1 34 . 1 . 1 7 7 HIS CA C 13 55.889 0.00 . 1 . . . . . 483 HIS CA . 53401 1 35 . 1 . 1 7 7 HIS CB C 13 29.866 0.00 . 1 . . . . . 483 HIS CB . 53401 1 36 . 1 . 1 7 7 HIS N N 15 120.312 0.07 . 1 . . . . . 483 HIS N . 53401 1 37 . 1 . 1 12 12 HIS HA H 1 4.548 0.00 . 1 . . . . . 488 HIS HA . 53401 1 38 . 1 . 1 12 12 HIS HB2 H 1 1.523 0.00 . 1 . . . . . 488 HIS HB2 . 53401 1 39 . 1 . 1 12 12 HIS C C 13 174.851 0.00 . 1 . . . . . 488 HIS C . 53401 1 40 . 1 . 1 12 12 HIS CA C 13 56.014 0.00 . 1 . . . . . 488 HIS CA . 53401 1 41 . 1 . 1 12 12 HIS CB C 13 29.695 0.00 . 1 . . . . . 488 HIS CB . 53401 1 42 . 1 . 1 13 13 GLU H H 1 8.349 0.00 . 1 . . . . . 489 GLU H . 53401 1 43 . 1 . 1 13 13 GLU HA H 1 4.080 0.00 . 1 . . . . . 489 GLU HA . 53401 1 44 . 1 . 1 13 13 GLU HB2 H 1 1.952 0.00 . 1 . . . . . 489 GLU HB2 . 53401 1 45 . 1 . 1 13 13 GLU HB3 H 1 1.823 0.00 . 1 . . . . . 489 GLU HB3 . 53401 1 46 . 1 . 1 13 13 GLU C C 13 176.176 0.01 . 1 . . . . . 489 GLU C . 53401 1 47 . 1 . 1 13 13 GLU CA C 13 57.264 0.05 . 1 . . . . . 489 GLU CA . 53401 1 48 . 1 . 1 13 13 GLU CB C 13 29.964 0.07 . 1 . . . . . 489 GLU CB . 53401 1 49 . 1 . 1 13 13 GLU CG C 13 36.053 0.00 . 1 . . . . . 489 GLU CG . 53401 1 50 . 1 . 1 13 13 GLU N N 15 120.718 0.03 . 1 . . . . . 489 GLU N . 53401 1 51 . 1 . 1 14 14 ASN H H 1 8.302 0.00 . 1 . . . . . 490 ASN H . 53401 1 52 . 1 . 1 14 14 ASN HA H 1 4.624 0.00 . 1 . . . . . 490 ASN HA . 53401 1 53 . 1 . 1 14 14 ASN HB2 H 1 2.681 0.00 . 1 . . . . . 490 ASN HB2 . 53401 1 54 . 1 . 1 14 14 ASN HB3 H 1 2.633 0.00 . 1 . . . . . 490 ASN HB3 . 53401 1 55 . 1 . 1 14 14 ASN C C 13 174.493 0.01 . 1 . . . . . 490 ASN C . 53401 1 56 . 1 . 1 14 14 ASN CA C 13 53.523 0.02 . 1 . . . . . 490 ASN CA . 53401 1 57 . 1 . 1 14 14 ASN CB C 13 38.935 0.06 . 1 . . . . . 490 ASN CB . 53401 1 58 . 1 . 1 14 14 ASN N N 15 117.319 0.04 . 1 . . . . . 490 ASN N . 53401 1 59 . 1 . 1 15 15 LEU H H 1 7.885 0.00 . 1 . . . . . 491 LEU H . 53401 1 60 . 1 . 1 15 15 LEU HA H 1 4.269 0.05 . 1 . . . . . 491 LEU HA . 53401 1 61 . 1 . 1 15 15 LEU C C 13 176.565 0.02 . 1 . . . . . 491 LEU C . 53401 1 62 . 1 . 1 15 15 LEU CA C 13 55.240 0.05 . 1 . . . . . 491 LEU CA . 53401 1 63 . 1 . 1 15 15 LEU CB C 13 41.966 0.05 . 1 . . . . . 491 LEU CB . 53401 1 64 . 1 . 1 15 15 LEU CG C 13 24.938 0.00 . 1 . . . . . 491 LEU CG . 53401 1 65 . 1 . 1 15 15 LEU CD1 C 13 24.529 0.03 . 1 . . . . . 491 LEU CD1 . 53401 1 66 . 1 . 1 15 15 LEU CD2 C 13 24.015 0.00 . 1 . . . . . 491 LEU CD2 . 53401 1 67 . 1 . 1 15 15 LEU N N 15 121.162 0.05 . 1 . . . . . 491 LEU N . 53401 1 68 . 1 . 1 16 16 TYR H H 1 7.905 0.00 . 1 . . . . . 492 TYR H . 53401 1 69 . 1 . 1 16 16 TYR HA H 1 4.367 0.01 . 1 . . . . . 492 TYR HA . 53401 1 70 . 1 . 1 16 16 TYR HB3 H 1 2.750 0.00 . 1 . . . . . 492 TYR HB3 . 53401 1 71 . 1 . 1 16 16 TYR C C 13 175.717 0.01 . 1 . . . . . 492 TYR C . 53401 1 72 . 1 . 1 16 16 TYR CA C 13 58.624 0.12 . 1 . . . . . 492 TYR CA . 53401 1 73 . 1 . 1 16 16 TYR CB C 13 38.715 0.11 . 1 . . . . . 492 TYR CB . 53401 1 74 . 1 . 1 16 16 TYR N N 15 120.004 0.06 . 1 . . . . . 492 TYR N . 53401 1 75 . 1 . 1 17 17 PHE H H 1 8.005 0.00 . 1 . . . . . 493 PHE H . 53401 1 76 . 1 . 1 17 17 PHE HA H 1 4.478 0.00 . 1 . . . . . 493 PHE HA . 53401 1 77 . 1 . 1 17 17 PHE HB2 H 1 3.152 0.00 . 1 . . . . . 493 PHE HB2 . 53401 1 78 . 1 . 1 17 17 PHE HB3 H 1 2.995 0.00 . 1 . . . . . 493 PHE HB3 . 53401 1 79 . 1 . 1 17 17 PHE C C 13 175.940 0.01 . 1 . . . . . 493 PHE C . 53401 1 80 . 1 . 1 17 17 PHE CA C 13 58.329 0.00 . 1 . . . . . 493 PHE CA . 53401 1 81 . 1 . 1 17 17 PHE CB C 13 39.085 0.04 . 1 . . . . . 493 PHE CB . 53401 1 82 . 1 . 1 17 17 PHE N N 15 118.779 0.03 . 1 . . . . . 493 PHE N . 53401 1 83 . 1 . 1 18 18 GLN H H 1 8.003 0.00 . 1 . . . . . 494 GLN H . 53401 1 84 . 1 . 1 18 18 GLN HA H 1 4.078 0.00 . 1 . . . . . 494 GLN HA . 53401 1 85 . 1 . 1 18 18 GLN HB2 H 1 2.043 0.00 . 1 . . . . . 494 GLN HB2 . 53401 1 86 . 1 . 1 18 18 GLN HB3 H 1 1.827 0.00 . 1 . . . . . 494 GLN HB3 . 53401 1 87 . 1 . 1 18 18 GLN C C 13 176.454 0.00 . 1 . . . . . 494 GLN C . 53401 1 88 . 1 . 1 18 18 GLN CA C 13 56.614 0.07 . 1 . . . . . 494 GLN CA . 53401 1 89 . 1 . 1 18 18 GLN CB C 13 28.818 0.01 . 1 . . . . . 494 GLN CB . 53401 1 90 . 1 . 1 18 18 GLN CG C 13 33.751 0.00 . 1 . . . . . 494 GLN CG . 53401 1 91 . 1 . 1 18 18 GLN N N 15 119.334 0.02 . 1 . . . . . 494 GLN N . 53401 1 92 . 1 . 1 19 19 GLY H H 1 7.602 0.00 . 1 . . . . . 495 GLY H . 53401 1 93 . 1 . 1 19 19 GLY HA2 H 1 3.773 0.01 . 1 . . . . . 495 GLY HA2 . 53401 1 94 . 1 . 1 19 19 GLY HA3 H 1 4.115 0.00 . 1 . . . . . 495 GLY HA3 . 53401 1 95 . 1 . 1 19 19 GLY C C 13 173.758 0.01 . 1 . . . . . 495 GLY C . 53401 1 96 . 1 . 1 19 19 GLY CA C 13 45.563 0.03 . 1 . . . . . 495 GLY CA . 53401 1 97 . 1 . 1 19 19 GLY N N 15 107.667 0.02 . 1 . . . . . 495 GLY N . 53401 1 98 . 1 . 1 20 20 HIS H H 1 7.765 0.00 . 1 . . . . . 496 HIS H . 53401 1 99 . 1 . 1 20 20 HIS HA H 1 4.655 0.00 . 1 . . . . . 496 HIS HA . 53401 1 100 . 1 . 1 20 20 HIS HB2 H 1 3.782 0.00 . 1 . . . . . 496 HIS HB2 . 53401 1 101 . 1 . 1 20 20 HIS HB3 H 1 3.159 0.00 . 1 . . . . . 496 HIS HB3 . 53401 1 102 . 1 . 1 20 20 HIS C C 13 173.737 0.01 . 1 . . . . . 496 HIS C . 53401 1 103 . 1 . 1 20 20 HIS CA C 13 55.107 0.08 . 1 . . . . . 496 HIS CA . 53401 1 104 . 1 . 1 20 20 HIS CB C 13 30.155 0.05 . 1 . . . . . 496 HIS CB . 53401 1 105 . 1 . 1 20 20 HIS N N 15 117.341 0.03 . 1 . . . . . 496 HIS N . 53401 1 106 . 1 . 1 21 21 MET H H 1 8.052 0.00 . 1 . . . . . 497 MET H . 53401 1 107 . 1 . 1 21 21 MET HA H 1 4.641 0.00 . 1 . . . . . 497 MET HA . 53401 1 108 . 1 . 1 21 21 MET C C 13 174.361 0.00 . 1 . . . . . 497 MET C . 53401 1 109 . 1 . 1 21 21 MET CA C 13 53.558 0.00 . 1 . . . . . 497 MET CA . 53401 1 110 . 1 . 1 21 21 MET N N 15 120.734 0.05 . 1 . . . . . 497 MET N . 53401 1 111 . 1 . 1 22 22 PRO HA H 1 4.453 0.00 . 1 . . . . . 498 PRO HA . 53401 1 112 . 1 . 1 22 22 PRO HB2 H 1 2.225 0.00 . 1 . . . . . 498 PRO HB2 . 53401 1 113 . 1 . 1 22 22 PRO HB3 H 1 1.800 0.00 . 1 . . . . . 498 PRO HB3 . 53401 1 114 . 1 . 1 22 22 PRO C C 13 175.365 0.00 . 1 . . . . . 498 PRO C . 53401 1 115 . 1 . 1 22 22 PRO CA C 13 62.889 0.01 . 1 . . . . . 498 PRO CA . 53401 1 116 . 1 . 1 22 22 PRO CB C 13 31.998 0.00 . 1 . . . . . 498 PRO CB . 53401 1 117 . 1 . 1 23 23 SER H H 1 7.981 0.00 . 1 . . . . . 499 SER H . 53401 1 118 . 1 . 1 23 23 SER HA H 1 4.419 0.01 . 1 . . . . . 499 SER HA . 53401 1 119 . 1 . 1 23 23 SER HB2 H 1 3.766 0.00 . 1 . . . . . 499 SER HB2 . 53401 1 120 . 1 . 1 23 23 SER HB3 H 1 3.703 0.00 . 1 . . . . . 499 SER HB3 . 53401 1 121 . 1 . 1 23 23 SER C C 13 175.323 0.00 . 1 . . . . . 499 SER C . 53401 1 122 . 1 . 1 23 23 SER CA C 13 57.793 0.05 . 1 . . . . . 499 SER CA . 53401 1 123 . 1 . 1 23 23 SER CB C 13 63.837 0.07 . 1 . . . . . 499 SER CB . 53401 1 124 . 1 . 1 23 23 SER N N 15 113.010 0.02 . 1 . . . . . 499 SER N . 53401 1 125 . 1 . 1 24 24 LEU H H 1 8.155 0.00 . 1 . . . . . 500 LEU H . 53401 1 126 . 1 . 1 24 24 LEU HA H 1 4.108 0.00 . 1 . . . . . 500 LEU HA . 53401 1 127 . 1 . 1 24 24 LEU HB2 H 1 1.624 0.00 . 1 . . . . . 500 LEU HB2 . 53401 1 128 . 1 . 1 24 24 LEU HB3 H 1 1.477 0.00 . 1 . . . . . 500 LEU HB3 . 53401 1 129 . 1 . 1 24 24 LEU C C 13 177.270 0.00 . 1 . . . . . 500 LEU C . 53401 1 130 . 1 . 1 24 24 LEU CA C 13 56.125 0.07 . 1 . . . . . 500 LEU CA . 53401 1 131 . 1 . 1 24 24 LEU CB C 13 41.242 0.20 . 1 . . . . . 500 LEU CB . 53401 1 132 . 1 . 1 24 24 LEU N N 15 123.282 0.03 . 1 . . . . . 500 LEU N . 53401 1 133 . 1 . 1 25 25 HIS H H 1 7.845 0.00 . 1 . . . . . 501 HIS H . 53401 1 134 . 1 . 1 25 25 HIS HA H 1 4.414 0.00 . 1 . . . . . 501 HIS HA . 53401 1 135 . 1 . 1 25 25 HIS HB2 H 1 3.126 0.00 . 1 . . . . . 501 HIS HB2 . 53401 1 136 . 1 . 1 25 25 HIS HB3 H 1 2.998 0.00 . 1 . . . . . 501 HIS HB3 . 53401 1 137 . 1 . 1 25 25 HIS C C 13 175.094 0.01 . 1 . . . . . 501 HIS C . 53401 1 138 . 1 . 1 25 25 HIS CA C 13 57.013 0.09 . 1 . . . . . 501 HIS CA . 53401 1 139 . 1 . 1 25 25 HIS CB C 13 29.583 0.05 . 1 . . . . . 501 HIS CB . 53401 1 140 . 1 . 1 25 25 HIS N N 15 114.709 0.03 . 1 . . . . . 501 HIS N . 53401 1 141 . 1 . 1 26 26 ASN H H 1 7.947 0.00 . 1 . . . . . 502 ASN H . 53401 1 142 . 1 . 1 26 26 ASN HA H 1 4.701 0.00 . 1 . . . . . 502 ASN HA . 53401 1 143 . 1 . 1 26 26 ASN HB2 H 1 2.845 0.00 . 1 . . . . . 502 ASN HB2 . 53401 1 144 . 1 . 1 26 26 ASN HB3 H 1 2.621 0.00 . 1 . . . . . 502 ASN HB3 . 53401 1 145 . 1 . 1 26 26 ASN C C 13 174.416 0.00 . 1 . . . . . 502 ASN C . 53401 1 146 . 1 . 1 26 26 ASN CA C 13 52.976 0.04 . 1 . . . . . 502 ASN CA . 53401 1 147 . 1 . 1 26 26 ASN CB C 13 39.116 0.02 . 1 . . . . . 502 ASN CB . 53401 1 148 . 1 . 1 26 26 ASN N N 15 116.719 0.03 . 1 . . . . . 502 ASN N . 53401 1 149 . 1 . 1 27 27 ILE H H 1 7.511 0.00 . 1 . . . . . 503 ILE H . 53401 1 150 . 1 . 1 27 27 ILE HA H 1 4.232 0.00 . 1 . . . . . 503 ILE HA . 53401 1 151 . 1 . 1 27 27 ILE C C 13 174.115 0.00 . 1 . . . . . 503 ILE C . 53401 1 152 . 1 . 1 27 27 ILE CA C 13 59.058 0.00 . 1 . . . . . 503 ILE CA . 53401 1 153 . 1 . 1 27 27 ILE N N 15 121.447 0.01 . 1 . . . . . 503 ILE N . 53401 1 154 . 1 . 1 28 28 PRO HA H 1 4.432 0.00 . 1 . . . . . 504 PRO HA . 53401 1 155 . 1 . 1 28 28 PRO C C 13 174.804 0.00 . 1 . . . . . 504 PRO C . 53401 1 156 . 1 . 1 28 28 PRO CA C 13 62.384 0.08 . 1 . . . . . 504 PRO CA . 53401 1 157 . 1 . 1 28 28 PRO CB C 13 30.892 0.08 . 1 . . . . . 504 PRO CB . 53401 1 158 . 1 . 1 28 28 PRO CG C 13 27.250 0.00 . 1 . . . . . 504 PRO CG . 53401 1 159 . 1 . 1 29 29 VAL H H 1 7.815 0.00 . 1 . . . . . 505 VAL H . 53401 1 160 . 1 . 1 29 29 VAL HA H 1 4.202 0.00 . 1 . . . . . 505 VAL HA . 53401 1 161 . 1 . 1 29 29 VAL C C 13 175.064 0.00 . 1 . . . . . 505 VAL C . 53401 1 162 . 1 . 1 29 29 VAL CA C 13 59.985 0.04 . 1 . . . . . 505 VAL CA . 53401 1 163 . 1 . 1 29 29 VAL CB C 13 32.683 0.00 . 1 . . . . . 505 VAL CB . 53401 1 164 . 1 . 1 29 29 VAL N N 15 120.485 0.02 . 1 . . . . . 505 VAL N . 53401 1 165 . 1 . 1 30 30 PRO HA H 1 4.403 0.00 . 1 . . . . . 506 PRO HA . 53401 1 166 . 1 . 1 30 30 PRO HB2 H 1 2.250 0.00 . 1 . . . . . 506 PRO HB2 . 53401 1 167 . 1 . 1 30 30 PRO HB3 H 1 1.893 0.00 . 1 . . . . . 506 PRO HB3 . 53401 1 168 . 1 . 1 30 30 PRO C C 13 176.038 0.00 . 1 . . . . . 506 PRO C . 53401 1 169 . 1 . 1 30 30 PRO CA C 13 62.855 0.01 . 1 . . . . . 506 PRO CA . 53401 1 170 . 1 . 1 30 30 PRO CB C 13 32.220 0.00 . 1 . . . . . 506 PRO CB . 53401 1 171 . 1 . 1 31 31 GLU H H 1 8.281 0.00 . 1 . . . . . 507 GLU H . 53401 1 172 . 1 . 1 31 31 GLU HA H 1 4.191 0.00 . 1 . . . . . 507 GLU HA . 53401 1 173 . 1 . 1 31 31 GLU HB2 H 1 1.988 0.00 . 1 . . . . . 507 GLU HB2 . 53401 1 174 . 1 . 1 31 31 GLU HB3 H 1 1.888 0.00 . 1 . . . . . 507 GLU HB3 . 53401 1 175 . 1 . 1 31 31 GLU C C 13 176.474 0.00 . 1 . . . . . 507 GLU C . 53401 1 176 . 1 . 1 31 31 GLU CA C 13 56.923 0.04 . 1 . . . . . 507 GLU CA . 53401 1 177 . 1 . 1 31 31 GLU CB C 13 29.872 0.10 . 1 . . . . . 507 GLU CB . 53401 1 178 . 1 . 1 31 31 GLU CG C 13 36.387 0.00 . 1 . . . . . 507 GLU CG . 53401 1 179 . 1 . 1 31 31 GLU N N 15 120.132 0.02 . 1 . . . . . 507 GLU N . 53401 1 180 . 1 . 1 32 32 THR H H 1 7.718 0.00 . 1 . . . . . 508 THR H . 53401 1 181 . 1 . 1 32 32 THR HA H 1 4.258 0.00 . 1 . . . . . 508 THR HA . 53401 1 182 . 1 . 1 32 32 THR HB H 1 3.997 0.00 . 1 . . . . . 508 THR HB . 53401 1 183 . 1 . 1 32 32 THR C C 13 173.616 0.00 . 1 . . . . . 508 THR C . 53401 1 184 . 1 . 1 32 32 THR CA C 13 61.141 0.09 . 1 . . . . . 508 THR CA . 53401 1 185 . 1 . 1 32 32 THR CB C 13 70.228 0.03 . 1 . . . . . 508 THR CB . 53401 1 186 . 1 . 1 32 32 THR N N 15 113.503 0.02 . 1 . . . . . 508 THR N . 53401 1 187 . 1 . 1 33 33 ASN H H 1 8.246 0.00 . 1 . . . . . 509 ASN H . 53401 1 188 . 1 . 1 33 33 ASN HA H 1 4.665 0.01 . 1 . . . . . 509 ASN HA . 53401 1 189 . 1 . 1 33 33 ASN HB2 H 1 2.730 0.00 . 1 . . . . . 509 ASN HB2 . 53401 1 190 . 1 . 1 33 33 ASN HB3 H 1 2.600 0.00 . 1 . . . . . 509 ASN HB3 . 53401 1 191 . 1 . 1 33 33 ASN C C 13 175.216 0.00 . 1 . . . . . 509 ASN C . 53401 1 192 . 1 . 1 33 33 ASN CA C 13 53.196 0.09 . 1 . . . . . 509 ASN CA . 53401 1 193 . 1 . 1 33 33 ASN CB C 13 38.599 0.04 . 1 . . . . . 509 ASN CB . 53401 1 194 . 1 . 1 33 33 ASN N N 15 119.729 0.04 . 1 . . . . . 509 ASN N . 53401 1 195 . 1 . 1 34 34 TYR H H 1 8.028 0.00 . 1 . . . . . 510 TYR H . 53401 1 196 . 1 . 1 34 34 TYR HA H 1 4.313 0.02 . 1 . . . . . 510 TYR HA . 53401 1 197 . 1 . 1 34 34 TYR HB2 H 1 2.936 0.00 . 1 . . . . . 510 TYR HB2 . 53401 1 198 . 1 . 1 34 34 TYR HB3 H 1 2.868 0.00 . 1 . . . . . 510 TYR HB3 . 53401 1 199 . 1 . 1 34 34 TYR C C 13 176.387 0.00 . 1 . . . . . 510 TYR C . 53401 1 200 . 1 . 1 34 34 TYR CA C 13 59.813 0.12 . 1 . . . . . 510 TYR CA . 53401 1 201 . 1 . 1 34 34 TYR CB C 13 39.012 0.00 . 1 . . . . . 510 TYR CB . 53401 1 202 . 1 . 1 34 34 TYR N N 15 120.469 0.03 . 1 . . . . . 510 TYR N . 53401 1 203 . 1 . 1 35 35 LEU H H 1 7.912 0.00 . 1 . . . . . 511 LEU H . 53401 1 204 . 1 . 1 35 35 LEU HA H 1 4.209 0.00 . 1 . . . . . 511 LEU HA . 53401 1 205 . 1 . 1 35 35 LEU HB2 H 1 1.654 0.00 . 1 . . . . . 511 LEU HB2 . 53401 1 206 . 1 . 1 35 35 LEU HB3 H 1 1.522 0.00 . 1 . . . . . 511 LEU HB3 . 53401 1 207 . 1 . 1 35 35 LEU C C 13 177.666 0.01 . 1 . . . . . 511 LEU C . 53401 1 208 . 1 . 1 35 35 LEU CA C 13 55.363 0.01 . 1 . . . . . 511 LEU CA . 53401 1 209 . 1 . 1 35 35 LEU CB C 13 41.584 0.04 . 1 . . . . . 511 LEU CB . 53401 1 210 . 1 . 1 35 35 LEU CG C 13 27.297 0.00 . 1 . . . . . 511 LEU CG . 53401 1 211 . 1 . 1 35 35 LEU CD2 C 13 23.238 0.00 . 1 . . . . . 511 LEU CD2 . 53401 1 212 . 1 . 1 35 35 LEU N N 15 119.311 0.03 . 1 . . . . . 511 LEU N . 53401 1 213 . 1 . 1 36 36 GLY H H 1 7.673 0.00 . 1 . . . . . 512 GLY H . 53401 1 214 . 1 . 1 36 36 GLY HA2 H 1 3.804 0.00 . 1 . . . . . 512 GLY HA2 . 53401 1 215 . 1 . 1 36 36 GLY HA3 H 1 3.813 0.00 . 1 . . . . . 512 GLY HA3 . 53401 1 216 . 1 . 1 36 36 GLY C C 13 173.966 0.01 . 1 . . . . . 512 GLY C . 53401 1 217 . 1 . 1 36 36 GLY CA C 13 45.587 0.07 . 1 . . . . . 512 GLY CA . 53401 1 218 . 1 . 1 36 36 GLY N N 15 107.496 0.03 . 1 . . . . . 512 GLY N . 53401 1 219 . 1 . 1 37 37 ASN H H 1 7.910 0.00 . 1 . . . . . 513 ASN H . 53401 1 220 . 1 . 1 37 37 ASN HA H 1 4.772 0.00 . 1 . . . . . 513 ASN HA . 53401 1 221 . 1 . 1 37 37 ASN HB2 H 1 2.732 0.00 . 1 . . . . . 513 ASN HB2 . 53401 1 222 . 1 . 1 37 37 ASN HB3 H 1 2.608 0.00 . 1 . . . . . 513 ASN HB3 . 53401 1 223 . 1 . 1 37 37 ASN C C 13 174.599 0.01 . 1 . . . . . 513 ASN C . 53401 1 224 . 1 . 1 37 37 ASN CA C 13 52.829 0.01 . 1 . . . . . 513 ASN CA . 53401 1 225 . 1 . 1 37 37 ASN CB C 13 39.542 0.03 . 1 . . . . . 513 ASN CB . 53401 1 226 . 1 . 1 37 37 ASN N N 15 117.942 0.01 . 1 . . . . . 513 ASN N . 53401 1 227 . 1 . 1 38 38 THR H H 1 7.993 0.00 . 1 . . . . . 514 THR H . 53401 1 228 . 1 . 1 38 38 THR HA H 1 4.404 0.00 . 1 . . . . . 514 THR HA . 53401 1 229 . 1 . 1 38 38 THR C C 13 172.731 0.00 . 1 . . . . . 514 THR C . 53401 1 230 . 1 . 1 38 38 THR CA C 13 60.243 0.00 . 1 . . . . . 514 THR CA . 53401 1 231 . 1 . 1 38 38 THR CB C 13 69.432 0.00 . 1 . . . . . 514 THR CB . 53401 1 232 . 1 . 1 38 38 THR N N 15 115.256 0.01 . 1 . . . . . 514 THR N . 53401 1 233 . 1 . 1 39 39 PRO HA H 1 4.427 0.00 . 1 . . . . . 515 PRO HA . 53401 1 234 . 1 . 1 39 39 PRO HB2 H 1 2.208 0.00 . 1 . . . . . 515 PRO HB2 . 53401 1 235 . 1 . 1 39 39 PRO HB3 H 1 1.792 0.00 . 1 . . . . . 515 PRO HB3 . 53401 1 236 . 1 . 1 39 39 PRO C C 13 175.889 0.00 . 1 . . . . . 515 PRO C . 53401 1 237 . 1 . 1 39 39 PRO CA C 13 63.131 0.10 . 1 . . . . . 515 PRO CA . 53401 1 238 . 1 . 1 39 39 PRO CB C 13 32.071 0.06 . 1 . . . . . 515 PRO CB . 53401 1 239 . 1 . 1 39 39 PRO CG C 13 27.291 0.00 . 1 . . . . . 515 PRO CG . 53401 1 240 . 1 . 1 40 40 THR H H 1 7.854 0.00 . 1 . . . . . 516 THR H . 53401 1 241 . 1 . 1 40 40 THR HA H 1 4.224 0.00 . 1 . . . . . 516 THR HA . 53401 1 242 . 1 . 1 40 40 THR HB H 1 4.022 0.00 . 1 . . . . . 516 THR HB . 53401 1 243 . 1 . 1 40 40 THR C C 13 173.922 0.01 . 1 . . . . . 516 THR C . 53401 1 244 . 1 . 1 40 40 THR CA C 13 61.592 0.06 . 1 . . . . . 516 THR CA . 53401 1 245 . 1 . 1 40 40 THR CB C 13 70.196 0.12 . 1 . . . . . 516 THR CB . 53401 1 246 . 1 . 1 40 40 THR CG2 C 13 21.644 0.00 . 1 . . . . . 516 THR CG2 . 53401 1 247 . 1 . 1 40 40 THR N N 15 113.512 0.01 . 1 . . . . . 516 THR N . 53401 1 248 . 1 . 1 41 41 MET H H 1 8.207 0.00 . 1 . . . . . 517 MET H . 53401 1 249 . 1 . 1 41 41 MET HA H 1 4.558 0.00 . 1 . . . . . 517 MET HA . 53401 1 250 . 1 . 1 41 41 MET C C 13 175.426 0.00 . 1 . . . . . 517 MET C . 53401 1 251 . 1 . 1 41 41 MET CA C 13 53.287 0.00 . 1 . . . . . 517 MET CA . 53401 1 252 . 1 . 1 41 41 MET CB C 13 32.618 0.00 . 1 . . . . . 517 MET CB . 53401 1 253 . 1 . 1 41 41 MET N N 15 122.777 0.02 . 1 . . . . . 517 MET N . 53401 1 254 . 1 . 1 42 42 PRO HA H 1 4.338 0.00 . 1 . . . . . 518 PRO HA . 53401 1 255 . 1 . 1 42 42 PRO HB2 H 1 1.998 0.00 . 1 . . . . . 518 PRO HB2 . 53401 1 256 . 1 . 1 42 42 PRO HB3 H 1 1.650 0.00 . 1 . . . . . 518 PRO HB3 . 53401 1 257 . 1 . 1 42 42 PRO C C 13 175.979 0.00 . 1 . . . . . 518 PRO C . 53401 1 258 . 1 . 1 42 42 PRO CA C 13 63.635 0.02 . 1 . . . . . 518 PRO CA . 53401 1 259 . 1 . 1 42 42 PRO CB C 13 31.234 0.01 . 1 . . . . . 518 PRO CB . 53401 1 260 . 1 . 1 42 42 PRO CD C 13 50.400 0.00 . 1 . . . . . 518 PRO CD . 53401 1 261 . 1 . 1 43 43 PHE H H 1 7.227 0.00 . 1 . . . . . 519 PHE H . 53401 1 262 . 1 . 1 43 43 PHE HA H 1 4.558 0.00 . 1 . . . . . 519 PHE HA . 53401 1 263 . 1 . 1 43 43 PHE HB2 H 1 3.251 0.00 . 1 . . . . . 519 PHE HB2 . 53401 1 264 . 1 . 1 43 43 PHE HB3 H 1 3.009 0.00 . 1 . . . . . 519 PHE HB3 . 53401 1 265 . 1 . 1 43 43 PHE C C 13 175.863 0.02 . 1 . . . . . 519 PHE C . 53401 1 266 . 1 . 1 43 43 PHE CA C 13 57.529 0.08 . 1 . . . . . 519 PHE CA . 53401 1 267 . 1 . 1 43 43 PHE CB C 13 38.866 0.03 . 1 . . . . . 519 PHE CB . 53401 1 268 . 1 . 1 43 43 PHE N N 15 116.003 0.01 . 1 . . . . . 519 PHE N . 53401 1 269 . 1 . 1 44 44 SER H H 1 8.173 0.00 . 1 . . . . . 520 SER H . 53401 1 270 . 1 . 1 44 44 SER HA H 1 4.362 0.01 . 1 . . . . . 520 SER HA . 53401 1 271 . 1 . 1 44 44 SER HB2 H 1 3.914 0.00 . 1 . . . . . 520 SER HB2 . 53401 1 272 . 1 . 1 44 44 SER HB3 H 1 3.818 0.00 . 1 . . . . . 520 SER HB3 . 53401 1 273 . 1 . 1 44 44 SER C C 13 174.424 0.00 . 1 . . . . . 520 SER C . 53401 1 274 . 1 . 1 44 44 SER CA C 13 59.310 0.02 . 1 . . . . . 520 SER CA . 53401 1 275 . 1 . 1 44 44 SER CB C 13 63.785 0.02 . 1 . . . . . 520 SER CB . 53401 1 276 . 1 . 1 44 44 SER N N 15 114.094 0.03 . 1 . . . . . 520 SER N . 53401 1 277 . 1 . 1 45 45 SER H H 1 7.865 0.00 . 1 . . . . . 521 SER H . 53401 1 278 . 1 . 1 45 45 SER HA H 1 4.482 0.00 . 1 . . . . . 521 SER HA . 53401 1 279 . 1 . 1 45 45 SER HB2 H 1 3.817 0.00 . 1 . . . . . 521 SER HB2 . 53401 1 280 . 1 . 1 45 45 SER C C 13 173.501 0.01 . 1 . . . . . 521 SER C . 53401 1 281 . 1 . 1 45 45 SER CA C 13 58.075 0.03 . 1 . . . . . 521 SER CA . 53401 1 282 . 1 . 1 45 45 SER CB C 13 64.145 0.03 . 1 . . . . . 521 SER CB . 53401 1 283 . 1 . 1 45 45 SER N N 15 115.536 0.01 . 1 . . . . . 521 SER N . 53401 1 284 . 1 . 1 46 46 LEU H H 1 7.802 0.00 . 1 . . . . . 522 LEU H . 53401 1 285 . 1 . 1 46 46 LEU HA H 1 4.425 0.00 . 1 . . . . . 522 LEU HA . 53401 1 286 . 1 . 1 46 46 LEU C C 13 174.574 0.00 . 1 . . . . . 522 LEU C . 53401 1 287 . 1 . 1 46 46 LEU CA C 13 53.408 0.04 . 1 . . . . . 522 LEU CA . 53401 1 288 . 1 . 1 46 46 LEU CB C 13 41.404 0.00 . 1 . . . . . 522 LEU CB . 53401 1 289 . 1 . 1 46 46 LEU N N 15 122.804 0.05 . 1 . . . . . 522 LEU N . 53401 1 290 . 1 . 1 48 48 PRO HA H 1 4.455 0.00 . 1 . . . . . 524 PRO HA . 53401 1 291 . 1 . 1 48 48 PRO HB2 H 1 2.186 0.00 . 1 . . . . . 524 PRO HB2 . 53401 1 292 . 1 . 1 48 48 PRO HB3 H 1 1.873 0.00 . 1 . . . . . 524 PRO HB3 . 53401 1 293 . 1 . 1 48 48 PRO C C 13 176.934 0.00 . 1 . . . . . 524 PRO C . 53401 1 294 . 1 . 1 48 48 PRO CA C 13 62.887 0.16 . 1 . . . . . 524 PRO CA . 53401 1 295 . 1 . 1 48 48 PRO CB C 13 31.797 0.13 . 1 . . . . . 524 PRO CB . 53401 1 296 . 1 . 1 48 48 PRO CG C 13 27.244 0.00 . 1 . . . . . 524 PRO CG . 53401 1 297 . 1 . 1 49 49 THR H H 1 8.018 0.00 . 1 . . . . . 525 THR H . 53401 1 298 . 1 . 1 49 49 THR HA H 1 4.358 0.01 . 1 . . . . . 525 THR HA . 53401 1 299 . 1 . 1 49 49 THR HB H 1 4.251 0.00 . 1 . . . . . 525 THR HB . 53401 1 300 . 1 . 1 49 49 THR C C 13 174.398 0.01 . 1 . . . . . 525 THR C . 53401 1 301 . 1 . 1 49 49 THR CA C 13 60.911 0.03 . 1 . . . . . 525 THR CA . 53401 1 302 . 1 . 1 49 49 THR CB C 13 70.263 0.02 . 1 . . . . . 525 THR CB . 53401 1 303 . 1 . 1 49 49 THR CG2 C 13 21.522 0.00 . 1 . . . . . 525 THR CG2 . 53401 1 304 . 1 . 1 49 49 THR N N 15 113.054 0.05 . 1 . . . . . 525 THR N . 53401 1 305 . 1 . 1 50 50 ASP H H 1 8.266 0.00 . 1 . . . . . 526 ASP H . 53401 1 306 . 1 . 1 50 50 ASP HA H 1 4.467 0.00 . 1 . . . . . 526 ASP HA . 53401 1 307 . 1 . 1 50 50 ASP HB2 H 1 2.620 0.00 . 1 . . . . . 526 ASP HB2 . 53401 1 308 . 1 . 1 50 50 ASP C C 13 176.294 0.01 . 1 . . . . . 526 ASP C . 53401 1 309 . 1 . 1 50 50 ASP CA C 13 54.971 0.13 . 1 . . . . . 526 ASP CA . 53401 1 310 . 1 . 1 50 50 ASP CB C 13 41.038 0.05 . 1 . . . . . 526 ASP CB . 53401 1 311 . 1 . 1 50 50 ASP N N 15 121.583 0.02 . 1 . . . . . 526 ASP N . 53401 1 312 . 1 . 1 51 51 GLU H H 1 8.094 0.00 . 1 . . . . . 527 GLU H . 53401 1 313 . 1 . 1 51 51 GLU HA H 1 4.256 0.00 . 1 . . . . . 527 GLU HA . 53401 1 314 . 1 . 1 51 51 GLU HB2 H 1 2.001 0.00 . 1 . . . . . 527 GLU HB2 . 53401 1 315 . 1 . 1 51 51 GLU C C 13 176.281 0.00 . 1 . . . . . 527 GLU C . 53401 1 316 . 1 . 1 51 51 GLU CA C 13 56.429 0.06 . 1 . . . . . 527 GLU CA . 53401 1 317 . 1 . 1 51 51 GLU CB C 13 30.378 0.04 . 1 . . . . . 527 GLU CB . 53401 1 318 . 1 . 1 51 51 GLU CG C 13 36.110 0.09 . 1 . . . . . 527 GLU CG . 53401 1 319 . 1 . 1 51 51 GLU N N 15 118.650 0.01 . 1 . . . . . 527 GLU N . 53401 1 320 . 1 . 1 52 52 SER H H 1 8.408 0.00 . 1 . . . . . 528 SER H . 53401 1 321 . 1 . 1 52 52 SER HA H 1 4.399 0.00 . 1 . . . . . 528 SER HA . 53401 1 322 . 1 . 1 52 52 SER C C 13 175.950 0.01 . 1 . . . . . 528 SER C . 53401 1 323 . 1 . 1 52 52 SER CA C 13 59.016 0.01 . 1 . . . . . 528 SER CA . 53401 1 324 . 1 . 1 52 52 SER CB C 13 63.904 0.06 . 1 . . . . . 528 SER CB . 53401 1 325 . 1 . 1 52 52 SER N N 15 116.201 0.00 . 1 . . . . . 528 SER N . 53401 1 326 . 1 . 1 53 53 ILE H H 1 8.455 0.01 . 1 . . . . . 529 ILE H . 53401 1 327 . 1 . 1 53 53 ILE HA H 1 3.602 0.00 . 1 . . . . . 529 ILE HA . 53401 1 328 . 1 . 1 53 53 ILE HB H 1 1.951 0.00 . 1 . . . . . 529 ILE HB . 53401 1 329 . 1 . 1 53 53 ILE C C 13 177.322 0.00 . 1 . . . . . 529 ILE C . 53401 1 330 . 1 . 1 53 53 ILE CA C 13 64.168 0.01 . 1 . . . . . 529 ILE CA . 53401 1 331 . 1 . 1 53 53 ILE CB C 13 37.334 0.00 . 1 . . . . . 529 ILE CB . 53401 1 332 . 1 . 1 53 53 ILE N N 15 124.751 0.04 . 1 . . . . . 529 ILE N . 53401 1 333 . 1 . 1 54 54 LYS H H 1 7.984 0.00 . 1 . . . . . 530 LYS H . 53401 1 334 . 1 . 1 54 54 LYS HA H 1 3.906 0.13 . 1 . . . . . 530 LYS HA . 53401 1 335 . 1 . 1 54 54 LYS HB2 H 1 1.675 0.00 . 1 . . . . . 530 LYS HB2 . 53401 1 336 . 1 . 1 54 54 LYS C C 13 177.673 0.02 . 1 . . . . . 530 LYS C . 53401 1 337 . 1 . 1 54 54 LYS CA C 13 59.993 0.02 . 1 . . . . . 530 LYS CA . 53401 1 338 . 1 . 1 54 54 LYS CB C 13 32.035 0.16 . 1 . . . . . 530 LYS CB . 53401 1 339 . 1 . 1 54 54 LYS N N 15 119.358 0.07 . 1 . . . . . 530 LYS N . 53401 1 340 . 1 . 1 55 55 TYR H H 1 7.776 0.01 . 1 . . . . . 531 TYR H . 53401 1 341 . 1 . 1 55 55 TYR HA H 1 4.233 0.01 . 1 . . . . . 531 TYR HA . 53401 1 342 . 1 . 1 55 55 TYR HB2 H 1 3.253 0.00 . 1 . . . . . 531 TYR HB2 . 53401 1 343 . 1 . 1 55 55 TYR C C 13 177.381 0.02 . 1 . . . . . 531 TYR C . 53401 1 344 . 1 . 1 55 55 TYR CA C 13 61.051 0.02 . 1 . . . . . 531 TYR CA . 53401 1 345 . 1 . 1 55 55 TYR CB C 13 38.176 0.06 . 1 . . . . . 531 TYR CB . 53401 1 346 . 1 . 1 55 55 TYR N N 15 119.280 0.02 . 1 . . . . . 531 TYR N . 53401 1 347 . 1 . 1 56 56 THR H H 1 8.175 0.00 . 1 . . . . . 532 THR H . 53401 1 348 . 1 . 1 56 56 THR HA H 1 4.125 0.17 . 1 . . . . . 532 THR HA . 53401 1 349 . 1 . 1 56 56 THR HB H 1 3.948 0.00 . 1 . . . . . 532 THR HB . 53401 1 350 . 1 . 1 56 56 THR C C 13 176.901 0.00 . 1 . . . . . 532 THR C . 53401 1 351 . 1 . 1 56 56 THR CA C 13 66.266 0.05 . 1 . . . . . 532 THR CA . 53401 1 352 . 1 . 1 56 56 THR CB C 13 68.690 0.07 . 1 . . . . . 532 THR CB . 53401 1 353 . 1 . 1 56 56 THR N N 15 117.575 0.06 . 1 . . . . . 532 THR N . 53401 1 354 . 1 . 1 57 57 ILE H H 1 8.291 0.00 . 1 . . . . . 533 ILE H . 53401 1 355 . 1 . 1 57 57 ILE HA H 1 3.603 0.00 . 1 . . . . . 533 ILE HA . 53401 1 356 . 1 . 1 57 57 ILE C C 13 178.169 0.01 . 1 . . . . . 533 ILE C . 53401 1 357 . 1 . 1 57 57 ILE CA C 13 65.194 0.12 . 1 . . . . . 533 ILE CA . 53401 1 358 . 1 . 1 57 57 ILE CB C 13 37.731 0.00 . 1 . . . . . 533 ILE CB . 53401 1 359 . 1 . 1 57 57 ILE N N 15 121.039 0.05 . 1 . . . . . 533 ILE N . 53401 1 360 . 1 . 1 58 58 TYR H H 1 8.198 0.00 . 1 . . . . . 534 TYR H . 53401 1 361 . 1 . 1 58 58 TYR HA H 1 4.251 0.00 . 1 . . . . . 534 TYR HA . 53401 1 362 . 1 . 1 58 58 TYR C C 13 177.625 0.02 . 1 . . . . . 534 TYR C . 53401 1 363 . 1 . 1 58 58 TYR CA C 13 60.836 0.09 . 1 . . . . . 534 TYR CA . 53401 1 364 . 1 . 1 58 58 TYR CB C 13 38.305 0.06 . 1 . . . . . 534 TYR CB . 53401 1 365 . 1 . 1 58 58 TYR N N 15 121.701 0.05 . 1 . . . . . 534 TYR N . 53401 1 366 . 1 . 1 59 59 ASN H H 1 8.440 0.01 . 1 . . . . . 535 ASN H . 53401 1 367 . 1 . 1 59 59 ASN HA H 1 4.249 0.00 . 1 . . . . . 535 ASN HA . 53401 1 368 . 1 . 1 59 59 ASN HB2 H 1 2.617 0.00 . 1 . . . . . 535 ASN HB2 . 53401 1 369 . 1 . 1 59 59 ASN HB3 H 1 2.460 0.00 . 1 . . . . . 535 ASN HB3 . 53401 1 370 . 1 . 1 59 59 ASN C C 13 176.168 0.01 . 1 . . . . . 535 ASN C . 53401 1 371 . 1 . 1 59 59 ASN CA C 13 55.033 0.02 . 1 . . . . . 535 ASN CA . 53401 1 372 . 1 . 1 59 59 ASN CB C 13 38.706 0.01 . 1 . . . . . 535 ASN CB . 53401 1 373 . 1 . 1 59 59 ASN N N 15 117.051 0.04 . 1 . . . . . 535 ASN N . 53401 1 374 . 1 . 1 60 60 SER H H 1 7.760 0.00 . 1 . . . . . 536 SER H . 53401 1 375 . 1 . 1 60 60 SER HA H 1 4.367 0.01 . 1 . . . . . 536 SER HA . 53401 1 376 . 1 . 1 60 60 SER HB3 H 1 3.911 0.00 . 1 . . . . . 536 SER HB3 . 53401 1 377 . 1 . 1 60 60 SER C C 13 175.019 0.00 . 1 . . . . . 536 SER C . 53401 1 378 . 1 . 1 60 60 SER CA C 13 60.367 0.03 . 1 . . . . . 536 SER CA . 53401 1 379 . 1 . 1 60 60 SER CB C 13 64.232 0.00 . 1 . . . . . 536 SER CB . 53401 1 380 . 1 . 1 60 60 SER N N 15 113.351 0.04 . 1 . . . . . 536 SER N . 53401 1 381 . 1 . 1 61 61 THR H H 1 7.773 0.00 . 1 . . . . . 537 THR H . 53401 1 382 . 1 . 1 61 61 THR HA H 1 4.383 0.00 . 1 . . . . . 537 THR HA . 53401 1 383 . 1 . 1 61 61 THR HB H 1 4.149 0.00 . 1 . . . . . 537 THR HB . 53401 1 384 . 1 . 1 61 61 THR C C 13 175.326 0.01 . 1 . . . . . 537 THR C . 53401 1 385 . 1 . 1 61 61 THR CA C 13 62.753 0.03 . 1 . . . . . 537 THR CA . 53401 1 386 . 1 . 1 61 61 THR CB C 13 71.168 0.04 . 1 . . . . . 537 THR CB . 53401 1 387 . 1 . 1 61 61 THR N N 15 110.269 0.04 . 1 . . . . . 537 THR N . 53401 1 388 . 1 . 1 62 62 GLY H H 1 8.107 0.00 . 1 . . . . . 538 GLY H . 53401 1 389 . 1 . 1 62 62 GLY HA2 H 1 3.942 0.01 . 1 . . . . . 538 GLY HA2 . 53401 1 390 . 1 . 1 62 62 GLY HA3 H 1 3.599 0.00 . 1 . . . . . 538 GLY HA3 . 53401 1 391 . 1 . 1 62 62 GLY C C 13 174.024 0.00 . 1 . . . . . 538 GLY C . 53401 1 392 . 1 . 1 62 62 GLY CA C 13 45.613 0.01 . 1 . . . . . 538 GLY CA . 53401 1 393 . 1 . 1 62 62 GLY N N 15 110.050 0.04 . 1 . . . . . 538 GLY N . 53401 1 394 . 1 . 1 63 63 ILE H H 1 7.724 0.00 . 1 . . . . . 539 ILE H . 53401 1 395 . 1 . 1 63 63 ILE HA H 1 3.987 0.01 . 1 . . . . . 539 ILE HA . 53401 1 396 . 1 . 1 63 63 ILE HB H 1 1.725 0.00 . 1 . . . . . 539 ILE HB . 53401 1 397 . 1 . 1 63 63 ILE C C 13 175.192 0.01 . 1 . . . . . 539 ILE C . 53401 1 398 . 1 . 1 63 63 ILE CA C 13 61.676 0.02 . 1 . . . . . 539 ILE CA . 53401 1 399 . 1 . 1 63 63 ILE CB C 13 38.401 0.03 . 1 . . . . . 539 ILE CB . 53401 1 400 . 1 . 1 63 63 ILE N N 15 120.761 0.02 . 1 . . . . . 539 ILE N . 53401 1 401 . 1 . 1 64 64 GLN H H 1 8.171 0.00 . 1 . . . . . 540 GLN H . 53401 1 402 . 1 . 1 64 64 GLN HA H 1 4.451 0.00 . 1 . . . . . 540 GLN HA . 53401 1 403 . 1 . 1 64 64 GLN HB2 H 1 1.974 0.00 . 1 . . . . . 540 GLN HB2 . 53401 1 404 . 1 . 1 64 64 GLN HB3 H 1 1.822 0.00 . 1 . . . . . 540 GLN HB3 . 53401 1 405 . 1 . 1 64 64 GLN C C 13 175.462 0.01 . 1 . . . . . 540 GLN C . 53401 1 406 . 1 . 1 64 64 GLN CA C 13 54.685 0.01 . 1 . . . . . 540 GLN CA . 53401 1 407 . 1 . 1 64 64 GLN CB C 13 29.683 0.02 . 1 . . . . . 540 GLN CB . 53401 1 408 . 1 . 1 64 64 GLN N N 15 124.872 0.02 . 1 . . . . . 540 GLN N . 53401 1 409 . 1 . 1 65 65 ILE H H 1 8.111 0.00 . 1 . . . . . 541 ILE H . 53401 1 410 . 1 . 1 65 65 ILE HA H 1 3.996 0.00 . 1 . . . . . 541 ILE HA . 53401 1 411 . 1 . 1 65 65 ILE HB H 1 1.803 0.00 . 1 . . . . . 541 ILE HB . 53401 1 412 . 1 . 1 65 65 ILE C C 13 176.595 0.00 . 1 . . . . . 541 ILE C . 53401 1 413 . 1 . 1 65 65 ILE CA C 13 62.307 0.01 . 1 . . . . . 541 ILE CA . 53401 1 414 . 1 . 1 65 65 ILE CB C 13 38.117 0.12 . 1 . . . . . 541 ILE CB . 53401 1 415 . 1 . 1 65 65 ILE N N 15 122.356 0.04 . 1 . . . . . 541 ILE N . 53401 1 416 . 1 . 1 66 66 GLY H H 1 8.303 0.00 . 1 . . . . . 542 GLY H . 53401 1 417 . 1 . 1 66 66 GLY HA2 H 1 3.918 0.01 . 1 . . . . . 542 GLY HA2 . 53401 1 418 . 1 . 1 66 66 GLY HA3 H 1 3.865 0.00 . 1 . . . . . 542 GLY HA3 . 53401 1 419 . 1 . 1 66 66 GLY C C 13 174.335 0.02 . 1 . . . . . 542 GLY C . 53401 1 420 . 1 . 1 66 66 GLY CA C 13 45.636 0.01 . 1 . . . . . 542 GLY CA . 53401 1 421 . 1 . 1 66 66 GLY N N 15 111.826 0.03 . 1 . . . . . 542 GLY N . 53401 1 422 . 1 . 1 67 67 ALA H H 1 7.808 0.00 . 1 . . . . . 543 ALA H . 53401 1 423 . 1 . 1 67 67 ALA HA H 1 4.133 0.00 . 1 . . . . . 543 ALA HA . 53401 1 424 . 1 . 1 67 67 ALA HB1 H 1 1.148 0.00 . 1 . . . . . 543 ALA HB . 53401 1 425 . 1 . 1 67 67 ALA HB2 H 1 1.148 0.00 . 1 . . . . . 543 ALA HB . 53401 1 426 . 1 . 1 67 67 ALA HB3 H 1 1.148 0.00 . 1 . . . . . 543 ALA HB . 53401 1 427 . 1 . 1 67 67 ALA C C 13 177.465 0.01 . 1 . . . . . 543 ALA C . 53401 1 428 . 1 . 1 67 67 ALA CA C 13 52.926 0.01 . 1 . . . . . 543 ALA CA . 53401 1 429 . 1 . 1 67 67 ALA CB C 13 18.893 0.02 . 1 . . . . . 543 ALA CB . 53401 1 430 . 1 . 1 67 67 ALA N N 15 122.410 0.01 . 1 . . . . . 543 ALA N . 53401 1 431 . 1 . 1 68 68 TYR H H 1 7.700 0.00 . 1 . . . . . 544 TYR H . 53401 1 432 . 1 . 1 68 68 TYR HA H 1 4.345 0.00 . 1 . . . . . 544 TYR HA . 53401 1 433 . 1 . 1 68 68 TYR HB2 H 1 2.904 0.00 . 1 . . . . . 544 TYR HB2 . 53401 1 434 . 1 . 1 68 68 TYR HB3 H 1 2.780 0.00 . 1 . . . . . 544 TYR HB3 . 53401 1 435 . 1 . 1 68 68 TYR C C 13 175.406 0.01 . 1 . . . . . 544 TYR C . 53401 1 436 . 1 . 1 68 68 TYR CA C 13 58.209 0.01 . 1 . . . . . 544 TYR CA . 53401 1 437 . 1 . 1 68 68 TYR CB C 13 38.502 0.08 . 1 . . . . . 544 TYR CB . 53401 1 438 . 1 . 1 68 68 TYR N N 15 117.244 0.02 . 1 . . . . . 544 TYR N . 53401 1 439 . 1 . 1 69 69 ASN H H 1 7.932 0.00 . 1 . . . . . 545 ASN H . 53401 1 440 . 1 . 1 69 69 ASN HA H 1 4.569 0.00 . 1 . . . . . 545 ASN HA . 53401 1 441 . 1 . 1 69 69 ASN HB2 H 1 2.701 0.00 . 1 . . . . . 545 ASN HB2 . 53401 1 442 . 1 . 1 69 69 ASN HB3 H 1 2.570 0.00 . 1 . . . . . 545 ASN HB3 . 53401 1 443 . 1 . 1 69 69 ASN C C 13 175.420 0.01 . 1 . . . . . 545 ASN C . 53401 1 444 . 1 . 1 69 69 ASN CA C 13 53.322 0.00 . 1 . . . . . 545 ASN CA . 53401 1 445 . 1 . 1 69 69 ASN CB C 13 38.196 0.00 . 1 . . . . . 545 ASN CB . 53401 1 446 . 1 . 1 69 69 ASN N N 15 118.243 0.06 . 1 . . . . . 545 ASN N . 53401 1 447 . 1 . 1 70 70 TYR H H 1 7.841 0.00 . 1 . . . . . 546 TYR H . 53401 1 448 . 1 . 1 70 70 TYR HA H 1 4.255 0.01 . 1 . . . . . 546 TYR HA . 53401 1 449 . 1 . 1 70 70 TYR HB2 H 1 2.956 0.00 . 1 . . . . . 546 TYR HB2 . 53401 1 450 . 1 . 1 70 70 TYR HB3 H 1 2.933 0.00 . 1 . . . . . 546 TYR HB3 . 53401 1 451 . 1 . 1 70 70 TYR C C 13 176.075 0.01 . 1 . . . . . 546 TYR C . 53401 1 452 . 1 . 1 70 70 TYR CA C 13 59.639 0.02 . 1 . . . . . 546 TYR CA . 53401 1 453 . 1 . 1 70 70 TYR CB C 13 38.338 0.01 . 1 . . . . . 546 TYR CB . 53401 1 454 . 1 . 1 70 70 TYR N N 15 119.649 0.03 . 1 . . . . . 546 TYR N . 53401 1 455 . 1 . 1 71 71 MET H H 1 7.815 0.00 . 1 . . . . . 547 MET H . 53401 1 456 . 1 . 1 71 71 MET HA H 1 4.266 0.01 . 1 . . . . . 547 MET HA . 53401 1 457 . 1 . 1 71 71 MET HB2 H 1 2.300 0.00 . 1 . . . . . 547 MET HB2 . 53401 1 458 . 1 . 1 71 71 MET HB3 H 1 2.001 0.00 . 1 . . . . . 547 MET HB3 . 53401 1 459 . 1 . 1 71 71 MET C C 13 176.370 0.00 . 1 . . . . . 547 MET C . 53401 1 460 . 1 . 1 71 71 MET CA C 13 56.228 0.04 . 1 . . . . . 547 MET CA . 53401 1 461 . 1 . 1 71 71 MET CB C 13 32.474 0.14 . 1 . . . . . 547 MET CB . 53401 1 462 . 1 . 1 71 71 MET N N 15 117.612 0.02 . 1 . . . . . 547 MET N . 53401 1 463 . 1 . 1 72 72 GLU H H 1 7.865 0.00 . 1 . . . . . 548 GLU H . 53401 1 464 . 1 . 1 72 72 GLU HA H 1 4.228 0.00 . 1 . . . . . 548 GLU HA . 53401 1 465 . 1 . 1 72 72 GLU HB2 H 1 2.026 0.00 . 1 . . . . . 548 GLU HB2 . 53401 1 466 . 1 . 1 72 72 GLU HB3 H 1 1.865 0.00 . 1 . . . . . 548 GLU HB3 . 53401 1 467 . 1 . 1 72 72 GLU C C 13 176.791 0.01 . 1 . . . . . 548 GLU C . 53401 1 468 . 1 . 1 72 72 GLU CA C 13 56.445 0.02 . 1 . . . . . 548 GLU CA . 53401 1 469 . 1 . 1 72 72 GLU CB C 13 29.806 0.03 . 1 . . . . . 548 GLU CB . 53401 1 470 . 1 . 1 72 72 GLU N N 15 119.619 0.01 . 1 . . . . . 548 GLU N . 53401 1 471 . 1 . 1 73 73 ILE H H 1 7.826 0.00 . 1 . . . . . 549 ILE H . 53401 1 472 . 1 . 1 73 73 ILE HA H 1 4.032 0.01 . 1 . . . . . 549 ILE HA . 53401 1 473 . 1 . 1 73 73 ILE HB H 1 1.841 0.00 . 1 . . . . . 549 ILE HB . 53401 1 474 . 1 . 1 73 73 ILE C C 13 177.042 0.00 . 1 . . . . . 549 ILE C . 53401 1 475 . 1 . 1 73 73 ILE CA C 13 62.214 0.01 . 1 . . . . . 549 ILE CA . 53401 1 476 . 1 . 1 73 73 ILE CB C 13 38.435 0.09 . 1 . . . . . 549 ILE CB . 53401 1 477 . 1 . 1 73 73 ILE N N 15 120.534 0.01 . 1 . . . . . 549 ILE N . 53401 1 478 . 1 . 1 74 74 GLY H H 1 8.335 0.00 . 1 . . . . . 550 GLY H . 53401 1 479 . 1 . 1 74 74 GLY HA2 H 1 3.904 0.01 . 1 . . . . . 550 GLY HA2 . 53401 1 480 . 1 . 1 74 74 GLY HA3 H 1 3.849 0.00 . 1 . . . . . 550 GLY HA3 . 53401 1 481 . 1 . 1 74 74 GLY C C 13 174.913 0.00 . 1 . . . . . 550 GLY C . 53401 1 482 . 1 . 1 74 74 GLY CA C 13 45.709 0.02 . 1 . . . . . 550 GLY CA . 53401 1 483 . 1 . 1 74 74 GLY N N 15 111.329 0.02 . 1 . . . . . 550 GLY N . 53401 1 484 . 1 . 1 75 75 GLY H H 1 8.094 0.00 . 1 . . . . . 551 GLY H . 53401 1 485 . 1 . 1 75 75 GLY HA2 H 1 3.944 0.00 . 1 . . . . . 551 GLY HA2 . 53401 1 486 . 1 . 1 75 75 GLY C C 13 174.887 0.02 . 1 . . . . . 551 GLY C . 53401 1 487 . 1 . 1 75 75 GLY CA C 13 45.682 0.02 . 1 . . . . . 551 GLY CA . 53401 1 488 . 1 . 1 75 75 GLY N N 15 108.443 0.01 . 1 . . . . . 551 GLY N . 53401 1 489 . 1 . 1 76 76 THR H H 1 8.022 0.00 . 1 . . . . . 552 THR H . 53401 1 490 . 1 . 1 76 76 THR HA H 1 4.316 0.01 . 1 . . . . . 552 THR HA . 53401 1 491 . 1 . 1 76 76 THR HB H 1 4.251 0.00 . 1 . . . . . 552 THR HB . 53401 1 492 . 1 . 1 76 76 THR C C 13 175.238 0.01 . 1 . . . . . 552 THR C . 53401 1 493 . 1 . 1 76 76 THR CA C 13 62.573 0.06 . 1 . . . . . 552 THR CA . 53401 1 494 . 1 . 1 76 76 THR CB C 13 69.678 0.03 . 1 . . . . . 552 THR CB . 53401 1 495 . 1 . 1 76 76 THR N N 15 113.403 0.02 . 1 . . . . . 552 THR N . 53401 1 496 . 1 . 1 77 77 SER H H 1 8.281 0.01 . 1 . . . . . 553 SER H . 53401 1 497 . 1 . 1 77 77 SER HA H 1 4.337 0.00 . 1 . . . . . 553 SER HA . 53401 1 498 . 1 . 1 77 77 SER HB2 H 1 3.841 0.00 . 1 . . . . . 553 SER HB2 . 53401 1 499 . 1 . 1 77 77 SER HB3 H 1 3.859 0.00 . 1 . . . . . 553 SER HB3 . 53401 1 500 . 1 . 1 77 77 SER C C 13 174.728 0.00 . 1 . . . . . 553 SER C . 53401 1 501 . 1 . 1 77 77 SER CA C 13 59.426 0.01 . 1 . . . . . 553 SER CA . 53401 1 502 . 1 . 1 77 77 SER CB C 13 63.541 0.04 . 1 . . . . . 553 SER CB . 53401 1 503 . 1 . 1 77 77 SER N N 15 117.328 0.02 . 1 . . . . . 553 SER N . 53401 1 504 . 1 . 1 78 78 SER H H 1 8.093 0.00 . 1 . . . . . 554 SER H . 53401 1 505 . 1 . 1 78 78 SER HA H 1 4.350 0.01 . 1 . . . . . 554 SER HA . 53401 1 506 . 1 . 1 78 78 SER HB2 H 1 3.873 0.00 . 1 . . . . . 554 SER HB2 . 53401 1 507 . 1 . 1 78 78 SER HB3 H 1 3.807 0.00 . 1 . . . . . 554 SER HB3 . 53401 1 508 . 1 . 1 78 78 SER C C 13 174.913 0.00 . 1 . . . . . 554 SER C . 53401 1 509 . 1 . 1 78 78 SER CA C 13 58.996 0.00 . 1 . . . . . 554 SER CA . 53401 1 510 . 1 . 1 78 78 SER CB C 13 63.698 0.00 . 1 . . . . . 554 SER CB . 53401 1 511 . 1 . 1 78 78 SER N N 15 116.799 0.04 . 1 . . . . . 554 SER N . 53401 1 512 . 1 . 1 79 79 SER H H 1 8.196 0.00 . 1 . . . . . 555 SER H . 53401 1 513 . 1 . 1 79 79 SER HA H 1 4.437 0.00 . 1 . . . . . 555 SER HA . 53401 1 514 . 1 . 1 79 79 SER HB2 H 1 3.924 0.00 . 1 . . . . . 555 SER HB2 . 53401 1 515 . 1 . 1 79 79 SER HB3 H 1 3.851 0.00 . 1 . . . . . 555 SER HB3 . 53401 1 516 . 1 . 1 79 79 SER C C 13 175.457 0.00 . 1 . . . . . 555 SER C . 53401 1 517 . 1 . 1 79 79 SER CA C 13 59.054 0.06 . 1 . . . . . 555 SER CA . 53401 1 518 . 1 . 1 79 79 SER CB C 13 63.712 0.05 . 1 . . . . . 555 SER CB . 53401 1 519 . 1 . 1 79 79 SER N N 15 117.659 0.01 . 1 . . . . . 555 SER N . 53401 1 520 . 1 . 1 80 80 LEU H H 1 8.105 0.00 . 1 . . . . . 556 LEU H . 53401 1 521 . 1 . 1 80 80 LEU HA H 1 4.117 0.00 . 1 . . . . . 556 LEU HA . 53401 1 522 . 1 . 1 80 80 LEU HB2 H 1 1.673 0.00 . 1 . . . . . 556 LEU HB2 . 53401 1 523 . 1 . 1 80 80 LEU HB3 H 1 1.485 0.00 . 1 . . . . . 556 LEU HB3 . 53401 1 524 . 1 . 1 80 80 LEU C C 13 177.942 0.01 . 1 . . . . . 556 LEU C . 53401 1 525 . 1 . 1 80 80 LEU CA C 13 57.147 0.02 . 1 . . . . . 556 LEU CA . 53401 1 526 . 1 . 1 80 80 LEU CB C 13 42.331 0.05 . 1 . . . . . 556 LEU CB . 53401 1 527 . 1 . 1 80 80 LEU N N 15 123.492 0.01 . 1 . . . . . 556 LEU N . 53401 1 528 . 1 . 1 81 81 LEU H H 1 7.789 0.00 . 1 . . . . . 557 LEU H . 53401 1 529 . 1 . 1 81 81 LEU HA H 1 4.212 0.00 . 1 . . . . . 557 LEU HA . 53401 1 530 . 1 . 1 81 81 LEU HB2 H 1 1.644 0.00 . 1 . . . . . 557 LEU HB2 . 53401 1 531 . 1 . 1 81 81 LEU HB3 H 1 1.549 0.00 . 1 . . . . . 557 LEU HB3 . 53401 1 532 . 1 . 1 81 81 LEU C C 13 177.444 0.01 . 1 . . . . . 557 LEU C . 53401 1 533 . 1 . 1 81 81 LEU CA C 13 55.643 0.08 . 1 . . . . . 557 LEU CA . 53401 1 534 . 1 . 1 81 81 LEU CB C 13 41.590 0.06 . 1 . . . . . 557 LEU CB . 53401 1 535 . 1 . 1 81 81 LEU N N 15 117.380 0.01 . 1 . . . . . 557 LEU N . 53401 1 536 . 1 . 1 82 82 ASP H H 1 7.857 0.00 . 1 . . . . . 558 ASP H . 53401 1 537 . 1 . 1 82 82 ASP HA H 1 4.540 0.00 . 1 . . . . . 558 ASP HA . 53401 1 538 . 1 . 1 82 82 ASP HB2 H 1 2.701 0.00 . 1 . . . . . 558 ASP HB2 . 53401 1 539 . 1 . 1 82 82 ASP HB3 H 1 2.646 0.00 . 1 . . . . . 558 ASP HB3 . 53401 1 540 . 1 . 1 82 82 ASP C C 13 177.075 0.00 . 1 . . . . . 558 ASP C . 53401 1 541 . 1 . 1 82 82 ASP CA C 13 54.949 0.05 . 1 . . . . . 558 ASP CA . 53401 1 542 . 1 . 1 82 82 ASP CB C 13 41.101 0.00 . 1 . . . . . 558 ASP CB . 53401 1 543 . 1 . 1 82 82 ASP N N 15 119.561 0.01 . 1 . . . . . 558 ASP N . 53401 1 544 . 1 . 1 83 83 SER H H 1 8.086 0.00 . 1 . . . . . 559 SER H . 53401 1 545 . 1 . 1 83 83 SER HA H 1 4.357 0.00 . 1 . . . . . 559 SER HA . 53401 1 546 . 1 . 1 83 83 SER HB2 H 1 3.932 0.00 . 1 . . . . . 559 SER HB2 . 53401 1 547 . 1 . 1 83 83 SER HB3 H 1 3.853 0.00 . 1 . . . . . 559 SER HB3 . 53401 1 548 . 1 . 1 83 83 SER C C 13 174.959 0.00 . 1 . . . . . 559 SER C . 53401 1 549 . 1 . 1 83 83 SER CA C 13 59.362 0.03 . 1 . . . . . 559 SER CA . 53401 1 550 . 1 . 1 83 83 SER CB C 13 63.657 0.05 . 1 . . . . . 559 SER CB . 53401 1 551 . 1 . 1 83 83 SER N N 15 115.819 0.01 . 1 . . . . . 559 SER N . 53401 1 552 . 1 . 1 84 84 THR H H 1 7.978 0.00 . 1 . . . . . 560 THR H . 53401 1 553 . 1 . 1 84 84 THR HA H 1 4.266 0.00 . 1 . . . . . 560 THR HA . 53401 1 554 . 1 . 1 84 84 THR HB H 1 4.205 0.00 . 1 . . . . . 560 THR HB . 53401 1 555 . 1 . 1 84 84 THR C C 13 174.594 0.01 . 1 . . . . . 560 THR C . 53401 1 556 . 1 . 1 84 84 THR CA C 13 62.661 0.05 . 1 . . . . . 560 THR CA . 53401 1 557 . 1 . 1 84 84 THR CB C 13 69.766 0.11 . 1 . . . . . 560 THR CB . 53401 1 558 . 1 . 1 84 84 THR N N 15 114.101 0.02 . 1 . . . . . 560 THR N . 53401 1 559 . 1 . 1 85 85 ASN H H 1 8.184 0.00 . 1 . . . . . 561 ASN H . 53401 1 560 . 1 . 1 85 85 ASN HA H 1 4.709 0.01 . 1 . . . . . 561 ASN HA . 53401 1 561 . 1 . 1 85 85 ASN HB2 H 1 2.824 0.00 . 1 . . . . . 561 ASN HB2 . 53401 1 562 . 1 . 1 85 85 ASN HB3 H 1 2.685 0.00 . 1 . . . . . 561 ASN HB3 . 53401 1 563 . 1 . 1 85 85 ASN C C 13 175.145 0.01 . 1 . . . . . 561 ASN C . 53401 1 564 . 1 . 1 85 85 ASN CA C 13 53.454 0.03 . 1 . . . . . 561 ASN CA . 53401 1 565 . 1 . 1 85 85 ASN CB C 13 39.010 0.01 . 1 . . . . . 561 ASN CB . 53401 1 566 . 1 . 1 85 85 ASN N N 15 120.089 0.02 . 1 . . . . . 561 ASN N . 53401 1 567 . 1 . 1 86 86 THR H H 1 7.870 0.01 . 1 . . . . . 562 THR H . 53401 1 568 . 1 . 1 86 86 THR HA H 1 4.149 0.00 . 1 . . . . . 562 THR HA . 53401 1 569 . 1 . 1 86 86 THR HB H 1 3.977 0.00 . 1 . . . . . 562 THR HB . 53401 1 570 . 1 . 1 86 86 THR C C 13 174.069 0.00 . 1 . . . . . 562 THR C . 53401 1 571 . 1 . 1 86 86 THR CA C 13 61.940 0.04 . 1 . . . . . 562 THR CA . 53401 1 572 . 1 . 1 86 86 THR CB C 13 69.815 0.18 . 1 . . . . . 562 THR CB . 53401 1 573 . 1 . 1 86 86 THR N N 15 113.417 0.02 . 1 . . . . . 562 THR N . 53401 1 574 . 1 . 1 87 87 ASN H H 1 8.242 0.00 . 1 . . . . . 563 ASN H . 53401 1 575 . 1 . 1 87 87 ASN HA H 1 4.675 0.00 . 1 . . . . . 563 ASN HA . 53401 1 576 . 1 . 1 87 87 ASN HB2 H 1 2.708 0.00 . 1 . . . . . 563 ASN HB2 . 53401 1 577 . 1 . 1 87 87 ASN HB3 H 1 2.581 0.00 . 1 . . . . . 563 ASN HB3 . 53401 1 578 . 1 . 1 87 87 ASN C C 13 175.351 0.01 . 1 . . . . . 563 ASN C . 53401 1 579 . 1 . 1 87 87 ASN CA C 13 53.171 0.00 . 1 . . . . . 563 ASN CA . 53401 1 580 . 1 . 1 87 87 ASN CB C 13 38.794 0.00 . 1 . . . . . 563 ASN CB . 53401 1 581 . 1 . 1 87 87 ASN N N 15 120.479 0.01 . 1 . . . . . 563 ASN N . 53401 1 582 . 1 . 1 88 88 PHE H H 1 8.024 0.00 . 1 . . . . . 564 PHE H . 53401 1 583 . 1 . 1 88 88 PHE HA H 1 4.401 0.00 . 1 . . . . . 564 PHE HA . 53401 1 584 . 1 . 1 88 88 PHE HB2 H 1 3.122 0.00 . 1 . . . . . 564 PHE HB2 . 53401 1 585 . 1 . 1 88 88 PHE HB3 H 1 2.988 0.00 . 1 . . . . . 564 PHE HB3 . 53401 1 586 . 1 . 1 88 88 PHE C C 13 175.738 0.01 . 1 . . . . . 564 PHE C . 53401 1 587 . 1 . 1 88 88 PHE CA C 13 59.025 0.01 . 1 . . . . . 564 PHE CA . 53401 1 588 . 1 . 1 88 88 PHE CB C 13 38.951 0.06 . 1 . . . . . 564 PHE CB . 53401 1 589 . 1 . 1 88 88 PHE N N 15 120.396 0.02 . 1 . . . . . 564 PHE N . 53401 1 590 . 1 . 1 89 89 LYS H H 1 7.896 0.00 . 1 . . . . . 565 LYS H . 53401 1 591 . 1 . 1 89 89 LYS HA H 1 4.062 0.00 . 1 . . . . . 565 LYS HA . 53401 1 592 . 1 . 1 89 89 LYS HB3 H 1 1.724 0.02 . 1 . . . . . 565 LYS HB3 . 53401 1 593 . 1 . 1 89 89 LYS C C 13 176.447 0.01 . 1 . . . . . 565 LYS C . 53401 1 594 . 1 . 1 89 89 LYS CA C 13 57.204 0.05 . 1 . . . . . 565 LYS CA . 53401 1 595 . 1 . 1 89 89 LYS CB C 13 32.666 0.04 . 1 . . . . . 565 LYS CB . 53401 1 596 . 1 . 1 89 89 LYS N N 15 118.010 0.03 . 1 . . . . . 565 LYS N . 53401 1 597 . 1 . 1 90 90 GLU H H 1 7.719 0.00 . 1 . . . . . 566 GLU H . 53401 1 598 . 1 . 1 90 90 GLU HA H 1 4.147 0.00 . 1 . . . . . 566 GLU HA . 53401 1 599 . 1 . 1 90 90 GLU HB2 H 1 1.988 0.00 . 1 . . . . . 566 GLU HB2 . 53401 1 600 . 1 . 1 90 90 GLU HB3 H 1 1.875 0.00 . 1 . . . . . 566 GLU HB3 . 53401 1 601 . 1 . 1 90 90 GLU C C 13 176.390 0.00 . 1 . . . . . 566 GLU C . 53401 1 602 . 1 . 1 90 90 GLU CA C 13 57.037 0.03 . 1 . . . . . 566 GLU CA . 53401 1 603 . 1 . 1 90 90 GLU CB C 13 30.379 0.03 . 1 . . . . . 566 GLU CB . 53401 1 604 . 1 . 1 90 90 GLU N N 15 118.768 0.01 . 1 . . . . . 566 GLU N . 53401 1 605 . 1 . 1 91 91 GLU H H 1 8.289 0.00 . 1 . . . . . 567 GLU H . 53401 1 606 . 1 . 1 91 91 GLU HA H 1 4.422 0.00 . 1 . . . . . 567 GLU HA . 53401 1 607 . 1 . 1 91 91 GLU C C 13 174.727 0.00 . 1 . . . . . 567 GLU C . 53401 1 608 . 1 . 1 91 91 GLU CA C 13 56.202 0.00 . 1 . . . . . 567 GLU CA . 53401 1 609 . 1 . 1 91 91 GLU CB C 13 28.817 0.00 . 1 . . . . . 567 GLU CB . 53401 1 610 . 1 . 1 91 91 GLU N N 15 119.554 0.02 . 1 . . . . . 567 GLU N . 53401 1 611 . 1 . 1 92 92 PRO HA H 1 4.205 0.00 . 1 . . . . . 568 PRO HA . 53401 1 612 . 1 . 1 92 92 PRO HB2 H 1 2.167 0.00 . 1 . . . . . 568 PRO HB2 . 53401 1 613 . 1 . 1 92 92 PRO HB3 H 1 1.811 0.00 . 1 . . . . . 568 PRO HB3 . 53401 1 614 . 1 . 1 92 92 PRO C C 13 177.471 0.00 . 1 . . . . . 568 PRO C . 53401 1 615 . 1 . 1 92 92 PRO CA C 13 64.999 0.00 . 1 . . . . . 568 PRO CA . 53401 1 616 . 1 . 1 92 92 PRO CB C 13 31.580 0.00 . 1 . . . . . 568 PRO CB . 53401 1 617 . 1 . 1 93 93 ALA H H 1 8.079 0.00 . 1 . . . . . 569 ALA H . 53401 1 618 . 1 . 1 93 93 ALA HA H 1 4.098 0.00 . 1 . . . . . 569 ALA HA . 53401 1 619 . 1 . 1 93 93 ALA HB1 H 1 1.383 0.00 . 1 . . . . . 569 ALA HB . 53401 1 620 . 1 . 1 93 93 ALA HB2 H 1 1.383 0.00 . 1 . . . . . 569 ALA HB . 53401 1 621 . 1 . 1 93 93 ALA HB3 H 1 1.383 0.00 . 1 . . . . . 569 ALA HB . 53401 1 622 . 1 . 1 93 93 ALA C C 13 178.652 0.02 . 1 . . . . . 569 ALA C . 53401 1 623 . 1 . 1 93 93 ALA CA C 13 54.185 0.00 . 1 . . . . . 569 ALA CA . 53401 1 624 . 1 . 1 93 93 ALA CB C 13 18.467 0.03 . 1 . . . . . 569 ALA CB . 53401 1 625 . 1 . 1 93 93 ALA N N 15 119.743 0.03 . 1 . . . . . 569 ALA N . 53401 1 626 . 1 . 1 94 94 ALA H H 1 7.772 0.00 . 1 . . . . . 570 ALA H . 53401 1 627 . 1 . 1 94 94 ALA HA H 1 4.114 0.00 . 1 . . . . . 570 ALA HA . 53401 1 628 . 1 . 1 94 94 ALA HB1 H 1 1.395 0.00 . 1 . . . . . 570 ALA HB . 53401 1 629 . 1 . 1 94 94 ALA HB2 H 1 1.395 0.00 . 1 . . . . . 570 ALA HB . 53401 1 630 . 1 . 1 94 94 ALA HB3 H 1 1.395 0.00 . 1 . . . . . 570 ALA HB . 53401 1 631 . 1 . 1 94 94 ALA C C 13 180.093 0.01 . 1 . . . . . 570 ALA C . 53401 1 632 . 1 . 1 94 94 ALA CA C 13 54.294 0.08 . 1 . . . . . 570 ALA CA . 53401 1 633 . 1 . 1 94 94 ALA CB C 13 18.361 0.00 . 1 . . . . . 570 ALA CB . 53401 1 634 . 1 . 1 94 94 ALA N N 15 120.744 0.03 . 1 . . . . . 570 ALA N . 53401 1 635 . 1 . 1 95 95 LYS H H 1 7.981 0.00 . 1 . . . . . 571 LYS H . 53401 1 636 . 1 . 1 95 95 LYS HA H 1 4.009 0.00 . 1 . . . . . 571 LYS HA . 53401 1 637 . 1 . 1 95 95 LYS HB2 H 1 1.774 0.00 . 1 . . . . . 571 LYS HB2 . 53401 1 638 . 1 . 1 95 95 LYS HB3 H 1 1.627 0.00 . 1 . . . . . 571 LYS HB3 . 53401 1 639 . 1 . 1 95 95 LYS C C 13 177.716 0.00 . 1 . . . . . 571 LYS C . 53401 1 640 . 1 . 1 95 95 LYS CA C 13 58.362 0.04 . 1 . . . . . 571 LYS CA . 53401 1 641 . 1 . 1 95 95 LYS CB C 13 32.306 0.03 . 1 . . . . . 571 LYS CB . 53401 1 642 . 1 . 1 95 95 LYS N N 15 118.887 0.05 . 1 . . . . . 571 LYS N . 53401 1 643 . 1 . 1 96 96 TYR H H 1 7.850 0.00 . 1 . . . . . 572 TYR H . 53401 1 644 . 1 . 1 96 96 TYR HA H 1 4.242 0.00 . 1 . . . . . 572 TYR HA . 53401 1 645 . 1 . 1 96 96 TYR HB2 H 1 3.124 0.00 . 1 . . . . . 572 TYR HB2 . 53401 1 646 . 1 . 1 96 96 TYR HB3 H 1 2.928 0.00 . 1 . . . . . 572 TYR HB3 . 53401 1 647 . 1 . 1 96 96 TYR C C 13 176.566 0.01 . 1 . . . . . 572 TYR C . 53401 1 648 . 1 . 1 96 96 TYR CA C 13 60.213 0.03 . 1 . . . . . 572 TYR CA . 53401 1 649 . 1 . 1 96 96 TYR CB C 13 38.341 0.01 . 1 . . . . . 572 TYR CB . 53401 1 650 . 1 . 1 96 96 TYR N N 15 117.860 0.03 . 1 . . . . . 572 TYR N . 53401 1 651 . 1 . 1 97 97 GLN H H 1 7.930 0.00 . 1 . . . . . 573 GLN H . 53401 1 652 . 1 . 1 97 97 GLN HA H 1 3.918 0.01 . 1 . . . . . 573 GLN HA . 53401 1 653 . 1 . 1 97 97 GLN HB2 H 1 2.050 0.00 . 1 . . . . . 573 GLN HB2 . 53401 1 654 . 1 . 1 97 97 GLN HB3 H 1 2.004 0.00 . 1 . . . . . 573 GLN HB3 . 53401 1 655 . 1 . 1 97 97 GLN C C 13 177.262 0.00 . 1 . . . . . 573 GLN C . 53401 1 656 . 1 . 1 97 97 GLN CA C 13 58.182 0.04 . 1 . . . . . 573 GLN CA . 53401 1 657 . 1 . 1 97 97 GLN CB C 13 28.535 0.11 . 1 . . . . . 573 GLN CB . 53401 1 658 . 1 . 1 97 97 GLN CG C 13 33.814 0.00 . 1 . . . . . 573 GLN CG . 53401 1 659 . 1 . 1 97 97 GLN N N 15 117.955 0.02 . 1 . . . . . 573 GLN N . 53401 1 660 . 1 . 1 98 98 ALA H H 1 7.720 0.00 . 1 . . . . . 574 ALA H . 53401 1 661 . 1 . 1 98 98 ALA HA H 1 4.144 0.01 . 1 . . . . . 574 ALA HA . 53401 1 662 . 1 . 1 98 98 ALA HB1 H 1 1.395 0.00 . 1 . . . . . 574 ALA HB . 53401 1 663 . 1 . 1 98 98 ALA HB2 H 1 1.395 0.00 . 1 . . . . . 574 ALA HB . 53401 1 664 . 1 . 1 98 98 ALA HB3 H 1 1.395 0.00 . 1 . . . . . 574 ALA HB . 53401 1 665 . 1 . 1 98 98 ALA C C 13 179.129 0.00 . 1 . . . . . 574 ALA C . 53401 1 666 . 1 . 1 98 98 ALA CA C 13 54.034 0.02 . 1 . . . . . 574 ALA CA . 53401 1 667 . 1 . 1 98 98 ALA CB C 13 18.412 0.03 . 1 . . . . . 574 ALA CB . 53401 1 668 . 1 . 1 98 98 ALA N N 15 120.144 0.03 . 1 . . . . . 574 ALA N . 53401 1 669 . 1 . 1 99 99 ILE H H 1 7.468 0.00 . 1 . . . . . 575 ILE H . 53401 1 670 . 1 . 1 99 99 ILE HA H 1 3.704 0.00 . 1 . . . . . 575 ILE HA . 53401 1 671 . 1 . 1 99 99 ILE HB H 1 1.562 0.00 . 1 . . . . . 575 ILE HB . 53401 1 672 . 1 . 1 99 99 ILE C C 13 176.937 0.01 . 1 . . . . . 575 ILE C . 53401 1 673 . 1 . 1 99 99 ILE CA C 13 63.479 0.00 . 1 . . . . . 575 ILE CA . 53401 1 674 . 1 . 1 99 99 ILE CB C 13 38.259 0.07 . 1 . . . . . 575 ILE CB . 53401 1 675 . 1 . 1 99 99 ILE N N 15 117.110 0.02 . 1 . . . . . 575 ILE N . 53401 1 676 . 1 . 1 100 100 PHE H H 1 7.642 0.00 . 1 . . . . . 576 PHE H . 53401 1 677 . 1 . 1 100 100 PHE HA H 1 4.378 0.00 . 1 . . . . . 576 PHE HA . 53401 1 678 . 1 . 1 100 100 PHE HB2 H 1 3.131 0.00 . 1 . . . . . 576 PHE HB2 . 53401 1 679 . 1 . 1 100 100 PHE HB3 H 1 2.632 0.00 . 1 . . . . . 576 PHE HB3 . 53401 1 680 . 1 . 1 100 100 PHE C C 13 176.084 0.00 . 1 . . . . . 576 PHE C . 53401 1 681 . 1 . 1 100 100 PHE CA C 13 58.801 0.02 . 1 . . . . . 576 PHE CA . 53401 1 682 . 1 . 1 100 100 PHE CB C 13 38.996 0.01 . 1 . . . . . 576 PHE CB . 53401 1 683 . 1 . 1 100 100 PHE N N 15 118.322 0.02 . 1 . . . . . 576 PHE N . 53401 1 684 . 1 . 1 101 101 ASP H H 1 7.991 0.00 . 1 . . . . . 577 ASP H . 53401 1 685 . 1 . 1 101 101 ASP HA H 1 4.529 0.00 . 1 . . . . . 577 ASP HA . 53401 1 686 . 1 . 1 101 101 ASP HB2 H 1 2.696 0.00 . 1 . . . . . 577 ASP HB2 . 53401 1 687 . 1 . 1 101 101 ASP HB3 H 1 2.619 0.00 . 1 . . . . . 577 ASP HB3 . 53401 1 688 . 1 . 1 101 101 ASP C C 13 176.380 0.00 . 1 . . . . . 577 ASP C . 53401 1 689 . 1 . 1 101 101 ASP CA C 13 54.826 0.04 . 1 . . . . . 577 ASP CA . 53401 1 690 . 1 . 1 101 101 ASP CB C 13 40.984 0.03 . 1 . . . . . 577 ASP CB . 53401 1 691 . 1 . 1 101 101 ASP N N 15 120.431 0.01 . 1 . . . . . 577 ASP N . 53401 1 692 . 1 . 1 102 102 ASN H H 1 8.218 0.00 . 1 . . . . . 578 ASN H . 53401 1 693 . 1 . 1 102 102 ASN HA H 1 4.713 0.00 . 1 . . . . . 578 ASN HA . 53401 1 694 . 1 . 1 102 102 ASN HB2 H 1 2.805 0.00 . 1 . . . . . 578 ASN HB2 . 53401 1 695 . 1 . 1 102 102 ASN HB3 H 1 2.770 0.00 . 1 . . . . . 578 ASN HB3 . 53401 1 696 . 1 . 1 102 102 ASN C C 13 176.055 0.00 . 1 . . . . . 578 ASN C . 53401 1 697 . 1 . 1 102 102 ASN CA C 13 53.555 0.01 . 1 . . . . . 578 ASN CA . 53401 1 698 . 1 . 1 102 102 ASN CB C 13 38.876 0.04 . 1 . . . . . 578 ASN CB . 53401 1 699 . 1 . 1 102 102 ASN N N 15 119.695 0.01 . 1 . . . . . 578 ASN N . 53401 1 700 . 1 . 1 103 103 THR H H 1 8.139 0.00 . 1 . . . . . 579 THR H . 53401 1 701 . 1 . 1 103 103 THR HA H 1 4.252 0.00 . 1 . . . . . 579 THR HA . 53401 1 702 . 1 . 1 103 103 THR HB H 1 4.195 0.00 . 1 . . . . . 579 THR HB . 53401 1 703 . 1 . 1 103 103 THR C C 13 175.231 0.00 . 1 . . . . . 579 THR C . 53401 1 704 . 1 . 1 103 103 THR CA C 13 62.995 0.04 . 1 . . . . . 579 THR CA . 53401 1 705 . 1 . 1 103 103 THR CB C 13 69.763 0.03 . 1 . . . . . 579 THR CB . 53401 1 706 . 1 . 1 103 103 THR N N 15 113.666 0.01 . 1 . . . . . 579 THR N . 53401 1 707 . 1 . 1 104 104 THR H H 1 8.006 0.00 . 1 . . . . . 580 THR H . 53401 1 708 . 1 . 1 104 104 THR HA H 1 4.318 0.05 . 1 . . . . . 580 THR HA . 53401 1 709 . 1 . 1 104 104 THR HB H 1 4.137 0.00 . 1 . . . . . 580 THR HB . 53401 1 710 . 1 . 1 104 104 THR C C 13 174.528 0.01 . 1 . . . . . 580 THR C . 53401 1 711 . 1 . 1 104 104 THR CA C 13 62.282 0.02 . 1 . . . . . 580 THR CA . 53401 1 712 . 1 . 1 104 104 THR CB C 13 69.804 0.15 . 1 . . . . . 580 THR CB . 53401 1 713 . 1 . 1 104 104 THR N N 15 115.741 0.01 . 1 . . . . . 580 THR N . 53401 1 714 . 1 . 1 105 105 SER H H 1 8.138 0.00 . 1 . . . . . 581 SER H . 53401 1 715 . 1 . 1 105 105 SER HA H 1 4.422 0.00 . 1 . . . . . 581 SER HA . 53401 1 716 . 1 . 1 105 105 SER HB2 H 1 3.805 0.00 . 1 . . . . . 581 SER HB2 . 53401 1 717 . 1 . 1 105 105 SER HB3 H 1 3.725 0.00 . 1 . . . . . 581 SER HB3 . 53401 1 718 . 1 . 1 105 105 SER C C 13 174.369 0.00 . 1 . . . . . 581 SER C . 53401 1 719 . 1 . 1 105 105 SER CA C 13 58.310 0.01 . 1 . . . . . 581 SER CA . 53401 1 720 . 1 . 1 105 105 SER CB C 13 63.787 0.03 . 1 . . . . . 581 SER CB . 53401 1 721 . 1 . 1 105 105 SER N N 15 117.966 0.02 . 1 . . . . . 581 SER N . 53401 1 722 . 1 . 1 106 106 LEU H H 1 8.218 0.00 . 1 . . . . . 582 LEU H . 53401 1 723 . 1 . 1 106 106 LEU HA H 1 4.344 0.00 . 1 . . . . . 582 LEU HA . 53401 1 724 . 1 . 1 106 106 LEU HB2 H 1 1.613 0.00 . 1 . . . . . 582 LEU HB2 . 53401 1 725 . 1 . 1 106 106 LEU HB3 H 1 1.571 0.00 . 1 . . . . . 582 LEU HB3 . 53401 1 726 . 1 . 1 106 106 LEU C C 13 176.800 0.00 . 1 . . . . . 582 LEU C . 53401 1 727 . 1 . 1 106 106 LEU CA C 13 55.451 0.01 . 1 . . . . . 582 LEU CA . 53401 1 728 . 1 . 1 106 106 LEU CB C 13 42.273 0.03 . 1 . . . . . 582 LEU CB . 53401 1 729 . 1 . 1 106 106 LEU N N 15 124.519 0.02 . 1 . . . . . 582 LEU N . 53401 1 730 . 1 . 1 107 107 THR H H 1 7.607 0.00 . 1 . . . . . 583 THR H . 53401 1 731 . 1 . 1 107 107 THR HA H 1 4.073 0.00 . 1 . . . . . 583 THR HA . 53401 1 732 . 1 . 1 107 107 THR C C 13 179.174 0.00 . 1 . . . . . 583 THR C . 53401 1 733 . 1 . 1 107 107 THR CA C 13 62.967 0.00 . 1 . . . . . 583 THR CA . 53401 1 734 . 1 . 1 107 107 THR CB C 13 70.863 0.00 . 1 . . . . . 583 THR CB . 53401 1 735 . 1 . 1 107 107 THR N N 15 118.672 0.00 . 1 . . . . . 583 THR N . 53401 1 stop_ save_