################################### # 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 36004 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $CSI _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' 2 $sample_2 isotropic 36004 1 2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 36004 1 3 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36004 1 4 '3D C(CO)NH' 2 $sample_2 isotropic 36004 1 5 '3D HBHA(CO)NH' 2 $sample_2 isotropic 36004 1 6 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36004 1 7 '3D HNCACB' 2 $sample_2 isotropic 36004 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 . . 36004 1 3 $software_3 . . 36004 1 4 $software_4 . . 36004 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 ASP H H 1 8.357 0.002 . 1 . . 6 . A 482 ASP H . 36004 1 2 . 1 . 1 3 3 ASP HA H 1 4.594 0.004 . 1 . . 3 . A 482 ASP HA . 36004 1 3 . 1 . 1 3 3 ASP HB2 H 1 2.705 0.008 . 1 . . 4 . A 482 ASP HB2 . 36004 1 4 . 1 . 1 3 3 ASP HB3 H 1 2.605 0.005 . 1 . . 5 . A 482 ASP HB3 . 36004 1 5 . 1 . 1 3 3 ASP CA C 13 54.275 0.063 . 1 . . 1 . A 482 ASP CA . 36004 1 6 . 1 . 1 3 3 ASP CB C 13 41.094 0.067 . 1 . . 2 . A 482 ASP CB . 36004 1 7 . 1 . 1 3 3 ASP N N 15 120.026 0.052 . 1 . . 7 . A 482 ASP N . 36004 1 8 . 1 . 1 4 4 VAL H H 1 8.053 0.002 . 1 . . 13 . A 483 VAL H . 36004 1 9 . 1 . 1 4 4 VAL HA H 1 4.097 0.008 . 1 . . 11 . A 483 VAL HA . 36004 1 10 . 1 . 1 4 4 VAL HB H 1 2.124 0.01 . 1 . . 12 . A 483 VAL HB . 36004 1 11 . 1 . 1 4 4 VAL CA C 13 62.497 0.067 . 1 . . 8 . A 483 VAL CA . 36004 1 12 . 1 . 1 4 4 VAL CB C 13 32.405 0.084 . 1 . . 9 . A 483 VAL CB . 36004 1 13 . 1 . 1 4 4 VAL N N 15 119.649 0.058 . 1 . . 14 . A 483 VAL N . 36004 1 14 . 1 . 1 5 5 GLY H H 1 8.379 0.001 . 1 . . 17 . A 484 GLY H . 36004 1 15 . 1 . 1 5 5 GLY HA2 H 1 3.938 0.023 . 1 . . 19 . A 484 GLY HA2 . 36004 1 16 . 1 . 1 5 5 GLY HA3 H 1 3.938 0.023 . 1 . . 734 . A 484 GLY HA3 . 36004 1 17 . 1 . 1 5 5 GLY CA C 13 45.104 0.051 . 1 . . 16 . A 484 GLY CA . 36004 1 18 . 1 . 1 5 5 GLY N N 15 111.612 0.019 . 1 . . 18 . A 484 GLY N . 36004 1 19 . 1 . 1 6 6 ASP H H 1 8.233 0.002 . 1 . . 25 . A 485 ASP H . 36004 1 20 . 1 . 1 6 6 ASP HA H 1 4.633 0.007 . 1 . . 22 . A 485 ASP HA . 36004 1 21 . 1 . 1 6 6 ASP HB2 H 1 2.765 0.004 . 1 . . 23 . A 485 ASP HB2 . 36004 1 22 . 1 . 1 6 6 ASP HB3 H 1 2.551 0.01 . 1 . . 24 . A 485 ASP HB3 . 36004 1 23 . 1 . 1 6 6 ASP CA C 13 54.541 0.073 . 1 . . 20 . A 485 ASP CA . 36004 1 24 . 1 . 1 6 6 ASP CB C 13 41.256 0.048 . 1 . . 21 . A 485 ASP CB . 36004 1 25 . 1 . 1 6 6 ASP N N 15 120.600 0.073 . 1 . . 26 . A 485 ASP N . 36004 1 26 . 1 . 1 7 7 MET H H 1 8.499 0.002 . 1 . . 33 . A 486 MET H . 36004 1 27 . 1 . 1 7 7 MET HA H 1 5.072 0.005 . 1 . . 30 . A 486 MET HA . 36004 1 28 . 1 . 1 7 7 MET HB2 H 1 2.006 0.008 . 1 . . 31 . A 486 MET HB2 . 36004 1 29 . 1 . 1 7 7 MET HB3 H 1 1.798 0.008 . 1 . . 32 . A 486 MET HB3 . 36004 1 30 . 1 . 1 7 7 MET HG2 H 1 2.595 0.012 . 1 . . 735 . A 486 MET HG2 . 36004 1 31 . 1 . 1 7 7 MET HG3 H 1 2.595 0.012 . 1 . . 35 . A 486 MET HG3 . 36004 1 32 . 1 . 1 7 7 MET CA C 13 53.882 0.07 . 1 . . 27 . A 486 MET CA . 36004 1 33 . 1 . 1 7 7 MET CB C 13 34.686 0.06 . 1 . . 28 . A 486 MET CB . 36004 1 34 . 1 . 1 7 7 MET CG C 13 32.692 0.097 . 1 . . 29 . A 486 MET CG . 36004 1 35 . 1 . 1 7 7 MET N N 15 119.589 0.097 . 1 . . 34 . A 486 MET N . 36004 1 36 . 1 . 1 8 8 GLN H H 1 9.658 0.004 . 1 . . 44 . A 487 GLN H . 36004 1 37 . 1 . 1 8 8 GLN HA H 1 4.647 0.01 . 1 . . 39 . A 487 GLN HA . 36004 1 38 . 1 . 1 8 8 GLN HB2 H 1 1.956 0.012 . 1 . . 40 . A 487 GLN HB2 . 36004 1 39 . 1 . 1 8 8 GLN HB3 H 1 1.825 0.013 . 1 . . 41 . A 487 GLN HB3 . 36004 1 40 . 1 . 1 8 8 GLN HG2 H 1 2.320 0.006 . 1 . . 42 . A 487 GLN HG2 . 36004 1 41 . 1 . 1 8 8 GLN HG3 H 1 2.044 0.01 . 1 . . 43 . A 487 GLN HG3 . 36004 1 42 . 1 . 1 8 8 GLN CA C 13 54.544 0.064 . 1 . . 36 . A 487 GLN CA . 36004 1 43 . 1 . 1 8 8 GLN CB C 13 32.738 0.037 . 1 . . 37 . A 487 GLN CB . 36004 1 44 . 1 . 1 8 8 GLN CG C 13 35.548 0.097 . 1 . . 38 . A 487 GLN CG . 36004 1 45 . 1 . 1 8 8 GLN N N 15 121.314 0.092 . 1 . . 45 . A 487 GLN N . 36004 1 46 . 1 . 1 9 9 LEU H H 1 8.696 0.003 . 1 . . 54 . A 488 LEU H . 36004 1 47 . 1 . 1 9 9 LEU HA H 1 4.889 0.006 . 1 . . 50 . A 488 LEU HA . 36004 1 48 . 1 . 1 9 9 LEU HB2 H 1 1.670 0.007 . 1 . . 51 . A 488 LEU HB2 . 36004 1 49 . 1 . 1 9 9 LEU HB3 H 1 1.249 0.008 . 1 . . 52 . A 488 LEU HB3 . 36004 1 50 . 1 . 1 9 9 LEU HG H 1 1.492 0.009 . 1 . . 53 . A 488 LEU HG . 36004 1 51 . 1 . 1 9 9 LEU CA C 13 54.263 0.067 . 1 . . 46 . A 488 LEU CA . 36004 1 52 . 1 . 1 9 9 LEU CB C 13 45.500 0.074 . 1 . . 47 . A 488 LEU CB . 36004 1 53 . 1 . 1 9 9 LEU CG C 13 27.220 0.111 . 1 . . 48 . A 488 LEU CG . 36004 1 54 . 1 . 1 9 9 LEU N N 15 124.013 0.087 . 1 . . 57 . A 488 LEU N . 36004 1 55 . 1 . 1 10 10 TYR H H 1 9.328 0.004 . 1 . . 63 . A 489 TYR H . 36004 1 56 . 1 . 1 10 10 TYR HA H 1 5.131 0.004 . 1 . . 60 . A 489 TYR HA . 36004 1 57 . 1 . 1 10 10 TYR HB2 H 1 2.852 0.008 . 1 . . 61 . A 489 TYR HB2 . 36004 1 58 . 1 . 1 10 10 TYR HB3 H 1 2.629 0.009 . 1 . . 62 . A 489 TYR HB3 . 36004 1 59 . 1 . 1 10 10 TYR CA C 13 56.816 0.053 . 1 . . 58 . A 489 TYR CA . 36004 1 60 . 1 . 1 10 10 TYR CB C 13 41.779 0.117 . 1 . . 59 . A 489 TYR CB . 36004 1 61 . 1 . 1 10 10 TYR N N 15 124.387 0.074 . 1 . . 64 . A 489 TYR N . 36004 1 62 . 1 . 1 11 11 ARG H H 1 9.373 0.003 . 1 . . 70 . A 490 ARG H . 36004 1 63 . 1 . 1 11 11 ARG HA H 1 5.453 0.005 . 1 . . 69 . A 490 ARG HA . 36004 1 64 . 1 . 1 11 11 ARG HB2 H 1 1.701 0.006 . 1 . . 72 . A 490 ARG HB2 . 36004 1 65 . 1 . 1 11 11 ARG HB3 H 1 1.701 0.006 . 1 . . 736 . A 490 ARG HB3 . 36004 1 66 . 1 . 1 11 11 ARG HG2 H 1 1.497 0.014 . 1 . . 738 . A 490 ARG HG2 . 36004 1 67 . 1 . 1 11 11 ARG HG3 H 1 1.497 0.009 . 1 . . 74 . A 490 ARG HG3 . 36004 1 68 . 1 . 1 11 11 ARG HD2 H 1 2.860 0.009 . 1 . . 73 . A 490 ARG HD2 . 36004 1 69 . 1 . 1 11 11 ARG HD3 H 1 2.860 0.009 . 1 . . 737 . A 490 ARG HD3 . 36004 1 70 . 1 . 1 11 11 ARG CA C 13 54.008 0.035 . 1 . . 65 . A 490 ARG CA . 36004 1 71 . 1 . 1 11 11 ARG CB C 13 34.049 0.096 . 1 . . 66 . A 490 ARG CB . 36004 1 72 . 1 . 1 11 11 ARG CG C 13 28.307 0.093 . 1 . . 68 . A 490 ARG CG . 36004 1 73 . 1 . 1 11 11 ARG CD C 13 43.141 0.031 . 1 . . 67 . A 490 ARG CD . 36004 1 74 . 1 . 1 11 11 ARG N N 15 121.475 0.092 . 1 . . 71 . A 490 ARG N . 36004 1 75 . 1 . 1 12 12 ILE H H 1 9.077 0.002 . 1 . . 82 . A 491 ILE H . 36004 1 76 . 1 . 1 12 12 ILE HA H 1 4.763 0.007 . 1 . . 80 . A 491 ILE HA . 36004 1 77 . 1 . 1 12 12 ILE HB H 1 1.835 0.008 . 1 . . 81 . A 491 ILE HB . 36004 1 78 . 1 . 1 12 12 ILE HG12 H 1 1.595 0.01 . 1 . . 86 . A 491 ILE HG12 . 36004 1 79 . 1 . 1 12 12 ILE HG13 H 1 1.595 0.01 . 1 . . 739 . A 491 ILE HG13 . 36004 1 80 . 1 . 1 12 12 ILE CA C 13 59.309 0.051 . 1 . . 75 . A 491 ILE CA . 36004 1 81 . 1 . 1 12 12 ILE CB C 13 41.798 0.102 . 1 . . 76 . A 491 ILE CB . 36004 1 82 . 1 . 1 12 12 ILE CG1 C 13 26.649 0.107 . 1 . . 78 . A 491 ILE CG1 . 36004 1 83 . 1 . 1 12 12 ILE CG2 C 13 18.475 0.09 . 1 . . 79 . A 491 ILE CG2 . 36004 1 84 . 1 . 1 12 12 ILE CD1 C 13 14.742 0.09 . 1 . . 77 . A 491 ILE CD1 . 36004 1 85 . 1 . 1 12 12 ILE N N 15 119.040 0.072 . 1 . . 85 . A 491 ILE N . 36004 1 86 . 1 . 1 13 13 GLU H H 1 8.924 0.003 . 1 . . 95 . A 492 GLU H . 36004 1 87 . 1 . 1 13 13 GLU HA H 1 4.768 0.006 . 1 . . 90 . A 492 GLU HA . 36004 1 88 . 1 . 1 13 13 GLU HB2 H 1 2.520 0.009 . 1 . . 91 . A 492 GLU HB2 . 36004 1 89 . 1 . 1 13 13 GLU HB3 H 1 1.749 0.011 . 1 . . 92 . A 492 GLU HB3 . 36004 1 90 . 1 . 1 13 13 GLU HG2 H 1 2.571 0.01 . 1 . . 93 . A 492 GLU HG2 . 36004 1 91 . 1 . 1 13 13 GLU HG3 H 1 2.389 0.014 . 1 . . 94 . A 492 GLU HG3 . 36004 1 92 . 1 . 1 13 13 GLU CA C 13 55.323 0.045 . 1 . . 87 . A 492 GLU CA . 36004 1 93 . 1 . 1 13 13 GLU CB C 13 27.434 0.115 . 1 . . 88 . A 492 GLU CB . 36004 1 94 . 1 . 1 13 13 GLU CG C 13 35.643 0.069 . 1 . . 89 . A 492 GLU CG . 36004 1 95 . 1 . 1 13 13 GLU N N 15 127.335 0.077 . 1 . . 96 . A 492 GLU N . 36004 1 96 . 1 . 1 14 14 VAL H H 1 7.276 0.002 . 1 . . 103 . A 493 VAL H . 36004 1 97 . 1 . 1 14 14 VAL HA H 1 4.423 0.005 . 1 . . 101 . A 493 VAL HA . 36004 1 98 . 1 . 1 14 14 VAL HB H 1 1.721 0.006 . 1 . . 102 . A 493 VAL HB . 36004 1 99 . 1 . 1 14 14 VAL CA C 13 60.215 0.029 . 1 . . 97 . A 493 VAL CA . 36004 1 100 . 1 . 1 14 14 VAL CB C 13 35.209 0.137 . 1 . . 98 . A 493 VAL CB . 36004 1 101 . 1 . 1 14 14 VAL CG1 C 13 22.314 0.065 . 1 . . 99 . A 493 VAL CG1 . 36004 1 102 . 1 . 1 14 14 VAL CG2 C 13 20.434 0.039 . 1 . . 100 . A 493 VAL CG2 . 36004 1 103 . 1 . 1 14 14 VAL N N 15 115.397 0.101 . 1 . . 106 . A 493 VAL N . 36004 1 104 . 1 . 1 15 15 GLY H H 1 9.499 0.003 . 1 . . 110 . A 494 GLY H . 36004 1 105 . 1 . 1 15 15 GLY HA3 H 1 4.186 0.008 . 1 . . 108 . A 494 GLY HA3 . 36004 1 106 . 1 . 1 15 15 GLY CA C 13 44.443 0.038 . 1 . . 107 . A 494 GLY CA . 36004 1 107 . 1 . 1 15 15 GLY N N 15 111.220 0.081 . 1 . . 111 . A 494 GLY N . 36004 1 108 . 1 . 1 16 16 ARG H H 1 9.331 0.003 . 1 . . 121 . A 495 ARG H . 36004 1 109 . 1 . 1 16 16 ARG HA H 1 4.106 0.009 . 1 . . 116 . A 495 ARG HA . 36004 1 110 . 1 . 1 16 16 ARG HB2 H 1 1.860 0.012 . 1 . . 117 . A 495 ARG HB2 . 36004 1 111 . 1 . 1 16 16 ARG HB3 H 1 1.737 0.013 . 1 . . 118 . A 495 ARG HB3 . 36004 1 112 . 1 . 1 16 16 ARG HG2 H 1 1.647 0.008 . 1 . . 119 . A 495 ARG HG2 . 36004 1 113 . 1 . 1 16 16 ARG HG3 H 1 1.562 0.006 . 1 . . 120 . A 495 ARG HG3 . 36004 1 114 . 1 . 1 16 16 ARG HD2 H 1 3.160 0.006 . 1 . . 123 . A 495 ARG HD2 . 36004 1 115 . 1 . 1 16 16 ARG HD3 H 1 3.160 0.006 . 1 . . 740 . A 495 ARG HD3 . 36004 1 116 . 1 . 1 16 16 ARG CA C 13 59.630 0.065 . 1 . . 112 . A 495 ARG CA . 36004 1 117 . 1 . 1 16 16 ARG CB C 13 30.407 0.123 . 1 . . 113 . A 495 ARG CB . 36004 1 118 . 1 . 1 16 16 ARG CG C 13 27.910 0.106 . 1 . . 115 . A 495 ARG CG . 36004 1 119 . 1 . 1 16 16 ARG CD C 13 42.984 0.089 . 1 . . 114 . A 495 ARG CD . 36004 1 120 . 1 . 1 16 16 ARG N N 15 122.450 0.137 . 1 . . 122 . A 495 ARG N . 36004 1 121 . 1 . 1 17 17 ASP H H 1 10.067 0.004 . 1 . . 127 . A 496 ASP H . 36004 1 122 . 1 . 1 17 17 ASP HA H 1 4.405 0.006 . 1 . . 126 . A 496 ASP HA . 36004 1 123 . 1 . 1 17 17 ASP HB2 H 1 2.634 0.012 . 1 . . 129 . A 496 ASP HB2 . 36004 1 124 . 1 . 1 17 17 ASP HB3 H 1 2.634 0.012 . 1 . . 741 . A 496 ASP HB3 . 36004 1 125 . 1 . 1 17 17 ASP CA C 13 56.975 0.05 . 1 . . 124 . A 496 ASP CA . 36004 1 126 . 1 . 1 17 17 ASP CB C 13 39.309 0.067 . 1 . . 125 . A 496 ASP CB . 36004 1 127 . 1 . 1 17 17 ASP N N 15 122.182 0.055 . 1 . . 128 . A 496 ASP N . 36004 1 128 . 1 . 1 18 18 ASP H H 1 7.676 0.001 . 1 . . 133 . A 497 ASP H . 36004 1 129 . 1 . 1 18 18 ASP HA H 1 4.678 0.006 . 1 . . 132 . A 497 ASP HA . 36004 1 130 . 1 . 1 18 18 ASP HB2 H 1 2.814 0.006 . 1 . . 135 . A 497 ASP HB2 . 36004 1 131 . 1 . 1 18 18 ASP HB3 H 1 2.814 0.006 . 1 . . 742 . A 497 ASP HB3 . 36004 1 132 . 1 . 1 18 18 ASP CA C 13 54.541 0.05 . 1 . . 130 . A 497 ASP CA . 36004 1 133 . 1 . 1 18 18 ASP CB C 13 42.788 0.089 . 1 . . 131 . A 497 ASP CB . 36004 1 134 . 1 . 1 18 18 ASP N N 15 116.270 0.084 . 1 . . 134 . A 497 ASP N . 36004 1 135 . 1 . 1 19 19 GLY H H 1 8.076 0.002 . 1 . . 139 . A 498 GLY H . 36004 1 136 . 1 . 1 19 19 GLY HA3 H 1 4.120 0.008 . 1 . . 137 . A 498 GLY HA3 . 36004 1 137 . 1 . 1 19 19 GLY CA C 13 44.516 0.062 . 1 . . 136 . A 498 GLY CA . 36004 1 138 . 1 . 1 19 19 GLY N N 15 106.222 0.089 . 1 . . 140 . A 498 GLY N . 36004 1 139 . 1 . 1 20 20 VAL H H 1 6.722 0.001 . 1 . . 147 . A 499 VAL H . 36004 1 140 . 1 . 1 20 20 VAL HA H 1 3.899 0.005 . 1 . . 145 . A 499 VAL HA . 36004 1 141 . 1 . 1 20 20 VAL HB H 1 1.578 0.006 . 1 . . 146 . A 499 VAL HB . 36004 1 142 . 1 . 1 20 20 VAL CA C 13 62.438 0.036 . 1 . . 141 . A 499 VAL CA . 36004 1 143 . 1 . 1 20 20 VAL CB C 13 33.014 0.106 . 1 . . 142 . A 499 VAL CB . 36004 1 144 . 1 . 1 20 20 VAL CG1 C 13 24.043 0.077 . 1 . . 143 . A 499 VAL CG1 . 36004 1 145 . 1 . 1 20 20 VAL CG2 C 13 21.923 0.058 . 1 . . 144 . A 499 VAL CG2 . 36004 1 146 . 1 . 1 20 20 VAL N N 15 119.887 0.095 . 1 . . 150 . A 499 VAL N . 36004 1 147 . 1 . 1 21 21 GLU H H 1 10.238 0.005 . 1 . . 157 . A 500 GLU H . 36004 1 148 . 1 . 1 21 21 GLU HA H 1 4.659 0.006 . 1 . . 154 . A 500 GLU HA . 36004 1 149 . 1 . 1 21 21 GLU HB2 H 1 2.233 0.014 . 1 . . 155 . A 500 GLU HB2 . 36004 1 150 . 1 . 1 21 21 GLU HB3 H 1 1.594 0.005 . 1 . . 156 . A 500 GLU HB3 . 36004 1 151 . 1 . 1 21 21 GLU HG2 H 1 2.327 0.009 . 1 . . 159 . A 500 GLU HG2 . 36004 1 152 . 1 . 1 21 21 GLU HG3 H 1 2.327 0.009 . 1 . . 743 . A 500 GLU HG3 . 36004 1 153 . 1 . 1 21 21 GLU CA C 13 53.994 0.149 . 1 . . 151 . A 500 GLU CA . 36004 1 154 . 1 . 1 21 21 GLU CB C 13 33.215 0.086 . 1 . . 152 . A 500 GLU CB . 36004 1 155 . 1 . 1 21 21 GLU CG C 13 36.120 0.017 . 1 . . 153 . A 500 GLU CG . 36004 1 156 . 1 . 1 21 21 GLU N N 15 126.347 0.109 . 1 . . 158 . A 500 GLU N . 36004 1 157 . 1 . 1 22 22 VAL H H 1 9.040 0.003 . 1 . . 166 . A 501 VAL H . 36004 1 158 . 1 . 1 22 22 VAL HA H 1 3.404 0.007 . 1 . . 164 . A 501 VAL HA . 36004 1 159 . 1 . 1 22 22 VAL HB H 1 2.065 0.007 . 1 . . 165 . A 501 VAL HB . 36004 1 160 . 1 . 1 22 22 VAL CA C 13 68.547 0.029 . 1 . . 160 . A 501 VAL CA . 36004 1 161 . 1 . 1 22 22 VAL CB C 13 31.386 0.084 . 1 . . 161 . A 501 VAL CB . 36004 1 162 . 1 . 1 22 22 VAL CG1 C 13 23.245 0.055 . 1 . . 162 . A 501 VAL CG1 . 36004 1 163 . 1 . 1 22 22 VAL CG2 C 13 21.350 0.179 . 1 . . 163 . A 501 VAL CG2 . 36004 1 164 . 1 . 1 22 22 VAL N N 15 123.553 0.077 . 1 . . 169 . A 501 VAL N . 36004 1 165 . 1 . 1 23 23 ARG H H 1 8.479 0.003 . 1 . . 177 . A 502 ARG H . 36004 1 166 . 1 . 1 23 23 ARG HA H 1 4.113 0.007 . 1 . . 174 . A 502 ARG HA . 36004 1 167 . 1 . 1 23 23 ARG HB2 H 1 1.685 0.008 . 1 . . 179 . A 502 ARG HB2 . 36004 1 168 . 1 . 1 23 23 ARG HB3 H 1 1.685 0.008 . 1 . . 744 . A 502 ARG HB3 . 36004 1 169 . 1 . 1 23 23 ARG HG2 H 1 1.247 0.008 . 1 . . 175 . A 502 ARG HG2 . 36004 1 170 . 1 . 1 23 23 ARG HG3 H 1 0.934 0.005 . 1 . . 176 . A 502 ARG HG3 . 36004 1 171 . 1 . 1 23 23 ARG HD2 H 1 2.977 0.009 . 1 . . 180 . A 502 ARG HD2 . 36004 1 172 . 1 . 1 23 23 ARG HD3 H 1 2.977 0.009 . 1 . . 745 . A 502 ARG HD3 . 36004 1 173 . 1 . 1 23 23 ARG CA C 13 58.442 0.063 . 1 . . 170 . A 502 ARG CA . 36004 1 174 . 1 . 1 23 23 ARG CB C 13 28.316 0.099 . 1 . . 171 . A 502 ARG CB . 36004 1 175 . 1 . 1 23 23 ARG CG C 13 26.145 0.144 . 1 . . 173 . A 502 ARG CG . 36004 1 176 . 1 . 1 23 23 ARG CD C 13 43.019 0.073 . 1 . . 172 . A 502 ARG CD . 36004 1 177 . 1 . 1 23 23 ARG N N 15 114.719 0.127 . 1 . . 178 . A 502 ARG N . 36004 1 178 . 1 . 1 24 24 HIS H H 1 7.588 0.002 . 1 . . 186 . A 503 HIS H . 36004 1 179 . 1 . 1 24 24 HIS HA H 1 4.354 0.006 . 1 . . 183 . A 503 HIS HA . 36004 1 180 . 1 . 1 24 24 HIS HB2 H 1 3.322 0.006 . 1 . . 184 . A 503 HIS HB2 . 36004 1 181 . 1 . 1 24 24 HIS HB3 H 1 3.123 0.006 . 1 . . 185 . A 503 HIS HB3 . 36004 1 182 . 1 . 1 24 24 HIS CA C 13 59.990 0.046 . 1 . . 181 . A 503 HIS CA . 36004 1 183 . 1 . 1 24 24 HIS CB C 13 32.282 0.092 . 1 . . 182 . A 503 HIS CB . 36004 1 184 . 1 . 1 24 24 HIS N N 15 120.591 0.017 . 1 . . 187 . A 503 HIS N . 36004 1 185 . 1 . 1 25 25 ILE H H 1 7.414 0.002 . 1 . . 195 . A 504 ILE H . 36004 1 186 . 1 . 1 25 25 ILE HA H 1 3.557 0.004 . 1 . . 193 . A 504 ILE HA . 36004 1 187 . 1 . 1 25 25 ILE HB H 1 2.007 0.009 . 1 . . 194 . A 504 ILE HB . 36004 1 188 . 1 . 1 25 25 ILE HG12 H 1 1.677 0.007 . 1 . . 199 . A 504 ILE HG12 . 36004 1 189 . 1 . 1 25 25 ILE HG13 H 1 1.677 0.007 . 1 . . 746 . A 504 ILE HG13 . 36004 1 190 . 1 . 1 25 25 ILE CA C 13 65.092 0.051 . 1 . . 188 . A 504 ILE CA . 36004 1 191 . 1 . 1 25 25 ILE CB C 13 38.258 0.091 . 1 . . 189 . A 504 ILE CB . 36004 1 192 . 1 . 1 25 25 ILE CG1 C 13 28.880 0.094 . 1 . . 191 . A 504 ILE CG1 . 36004 1 193 . 1 . 1 25 25 ILE CG2 C 13 17.987 0.119 . 1 . . 192 . A 504 ILE CG2 . 36004 1 194 . 1 . 1 25 25 ILE CD1 C 13 13.768 0.045 . 1 . . 190 . A 504 ILE CD1 . 36004 1 195 . 1 . 1 25 25 ILE N N 15 120.524 0.02 . 1 . . 198 . A 504 ILE N . 36004 1 196 . 1 . 1 26 26 VAL H H 1 8.211 0.002 . 1 . . 206 . A 505 VAL H . 36004 1 197 . 1 . 1 26 26 VAL HA H 1 3.314 0.006 . 1 . . 204 . A 505 VAL HA . 36004 1 198 . 1 . 1 26 26 VAL HB H 1 1.867 0.006 . 1 . . 205 . A 505 VAL HB . 36004 1 199 . 1 . 1 26 26 VAL CA C 13 67.035 0.029 . 1 . . 200 . A 505 VAL CA . 36004 1 200 . 1 . 1 26 26 VAL CB C 13 31.931 0.139 . 1 . . 201 . A 505 VAL CB . 36004 1 201 . 1 . 1 26 26 VAL CG1 C 13 22.860 0.131 . 1 . . 202 . A 505 VAL CG1 . 36004 1 202 . 1 . 1 26 26 VAL CG2 C 13 20.983 0.073 . 1 . . 203 . A 505 VAL CG2 . 36004 1 203 . 1 . 1 26 26 VAL N N 15 118.258 0.086 . 1 . . 209 . A 505 VAL N . 36004 1 204 . 1 . 1 27 27 GLY H H 1 7.857 0.002 . 1 . . 212 . A 506 GLY H . 36004 1 205 . 1 . 1 27 27 GLY HA2 H 1 3.818 0.009 . 1 . . 214 . A 506 GLY HA2 . 36004 1 206 . 1 . 1 27 27 GLY HA3 H 1 3.818 0.009 . 1 . . 747 . A 506 GLY HA3 . 36004 1 207 . 1 . 1 27 27 GLY CA C 13 46.800 0.061 . 1 . . 211 . A 506 GLY CA . 36004 1 208 . 1 . 1 27 27 GLY N N 15 103.925 0.084 . 1 . . 213 . A 506 GLY N . 36004 1 209 . 1 . 1 28 28 ALA H H 1 7.460 0.001 . 1 . . 218 . A 507 ALA H . 36004 1 210 . 1 . 1 28 28 ALA HA H 1 4.301 0.007 . 1 . . 217 . A 507 ALA HA . 36004 1 211 . 1 . 1 28 28 ALA CA C 13 54.636 0.038 . 1 . . 215 . A 507 ALA CA . 36004 1 212 . 1 . 1 28 28 ALA CB C 13 18.986 0.101 . 1 . . 216 . A 507 ALA CB . 36004 1 213 . 1 . 1 28 28 ALA N N 15 122.969 0.087 . 1 . . 220 . A 507 ALA N . 36004 1 214 . 1 . 1 29 29 ILE H H 1 7.760 0.002 . 1 . . 230 . A 508 ILE H . 36004 1 215 . 1 . 1 29 29 ILE HA H 1 3.925 0.006 . 1 . . 226 . A 508 ILE HA . 36004 1 216 . 1 . 1 29 29 ILE HB H 1 1.842 0.008 . 1 . . 227 . A 508 ILE HB . 36004 1 217 . 1 . 1 29 29 ILE HG12 H 1 1.286 0.008 . 1 . . 228 . A 508 ILE HG12 . 36004 1 218 . 1 . 1 29 29 ILE HG13 H 1 1.018 0.009 . 1 . . 229 . A 508 ILE HG13 . 36004 1 219 . 1 . 1 29 29 ILE CA C 13 62.816 0.078 . 1 . . 221 . A 508 ILE CA . 36004 1 220 . 1 . 1 29 29 ILE CB C 13 37.519 0.084 . 1 . . 222 . A 508 ILE CB . 36004 1 221 . 1 . 1 29 29 ILE CG1 C 13 27.854 0.057 . 1 . . 224 . A 508 ILE CG1 . 36004 1 222 . 1 . 1 29 29 ILE CG2 C 13 12.040 0.025 . 1 . . 225 . A 508 ILE CG2 . 36004 1 223 . 1 . 1 29 29 ILE CD1 C 13 17.587 0.064 . 1 . . 223 . A 508 ILE CD1 . 36004 1 224 . 1 . 1 29 29 ILE N N 15 116.639 0.087 . 1 . . 233 . A 508 ILE N . 36004 1 225 . 1 . 1 30 30 ALA H H 1 8.487 0.003 . 1 . . 237 . A 509 ALA H . 36004 1 226 . 1 . 1 30 30 ALA HA H 1 4.450 0.005 . 1 . . 236 . A 509 ALA HA . 36004 1 227 . 1 . 1 30 30 ALA CA C 13 53.879 0.053 . 1 . . 234 . A 509 ALA CA . 36004 1 228 . 1 . 1 30 30 ALA CB C 13 18.684 0.041 . 1 . . 235 . A 509 ALA CB . 36004 1 229 . 1 . 1 30 30 ALA N N 15 121.557 0.068 . 1 . . 239 . A 509 ALA N . 36004 1 230 . 1 . 1 31 31 ASN H H 1 8.136 0.002 . 1 . . 245 . A 510 ASN H . 36004 1 231 . 1 . 1 31 31 ASN HA H 1 4.588 0.004 . 1 . . 242 . A 510 ASN HA . 36004 1 232 . 1 . 1 31 31 ASN HB2 H 1 2.994 0.005 . 1 . . 243 . A 510 ASN HB2 . 36004 1 233 . 1 . 1 31 31 ASN HB3 H 1 2.881 0.008 . 1 . . 244 . A 510 ASN HB3 . 36004 1 234 . 1 . 1 31 31 ASN CA C 13 54.923 0.051 . 1 . . 240 . A 510 ASN CA . 36004 1 235 . 1 . 1 31 31 ASN CB C 13 38.819 0.054 . 1 . . 241 . A 510 ASN CB . 36004 1 236 . 1 . 1 31 31 ASN N N 15 115.755 0.086 . 1 . . 246 . A 510 ASN N . 36004 1 237 . 1 . 1 32 32 GLU H H 1 8.037 0.002 . 1 . . 253 . A 511 GLU H . 36004 1 238 . 1 . 1 32 32 GLU HA H 1 4.296 0.005 . 1 . . 250 . A 511 GLU HA . 36004 1 239 . 1 . 1 32 32 GLU HB2 H 1 2.157 0.011 . 1 . . 251 . A 511 GLU HB2 . 36004 1 240 . 1 . 1 32 32 GLU HB3 H 1 2.094 0.007 . 1 . . 252 . A 511 GLU HB3 . 36004 1 241 . 1 . 1 32 32 GLU HG2 H 1 2.272 0.005 . 1 . . 255 . A 511 GLU HG2 . 36004 1 242 . 1 . 1 32 32 GLU HG3 H 1 2.272 0.005 . 1 . . 748 . A 511 GLU HG3 . 36004 1 243 . 1 . 1 32 32 GLU CA C 13 57.117 0.025 . 1 . . 247 . A 511 GLU CA . 36004 1 244 . 1 . 1 32 32 GLU CB C 13 29.259 0.109 . 1 . . 248 . A 511 GLU CB . 36004 1 245 . 1 . 1 32 32 GLU CG C 13 35.800 0.088 . 1 . . 249 . A 511 GLU CG . 36004 1 246 . 1 . 1 32 32 GLU N N 15 118.397 0.058 . 1 . . 254 . A 511 GLU N . 36004 1 247 . 1 . 1 33 33 GLY H H 1 7.896 0.002 . 1 . . 257 . A 512 GLY H . 36004 1 248 . 1 . 1 33 33 GLY HA2 H 1 3.867 0.003 . 1 . . 259 . A 512 GLY HA2 . 36004 1 249 . 1 . 1 33 33 GLY HA3 H 1 3.867 0.003 . 1 . . 749 . A 512 GLY HA3 . 36004 1 250 . 1 . 1 33 33 GLY CA C 13 45.737 0.078 . 1 . . 256 . A 512 GLY CA . 36004 1 251 . 1 . 1 33 33 GLY N N 15 106.957 0.082 . 1 . . 258 . A 512 GLY N . 36004 1 252 . 1 . 1 34 34 ASP H H 1 8.072 0.002 . 1 . . 265 . A 513 ASP H . 36004 1 253 . 1 . 1 34 34 ASP HA H 1 4.558 0.005 . 1 . . 262 . A 513 ASP HA . 36004 1 254 . 1 . 1 34 34 ASP HB2 H 1 2.759 0.007 . 1 . . 263 . A 513 ASP HB2 . 36004 1 255 . 1 . 1 34 34 ASP HB3 H 1 2.546 0.012 . 1 . . 264 . A 513 ASP HB3 . 36004 1 256 . 1 . 1 34 34 ASP CA C 13 55.306 0.07 . 1 . . 260 . A 513 ASP CA . 36004 1 257 . 1 . 1 34 34 ASP CB C 13 41.227 0.057 . 1 . . 261 . A 513 ASP CB . 36004 1 258 . 1 . 1 34 34 ASP N N 15 119.274 0.122 . 1 . . 266 . A 513 ASP N . 36004 1 259 . 1 . 1 35 35 ILE H H 1 7.973 0.002 . 1 . . 276 . A 514 ILE H . 36004 1 260 . 1 . 1 35 35 ILE HA H 1 4.198 0.006 . 1 . . 272 . A 514 ILE HA . 36004 1 261 . 1 . 1 35 35 ILE HB H 1 1.806 0.009 . 1 . . 273 . A 514 ILE HB . 36004 1 262 . 1 . 1 35 35 ILE HG12 H 1 1.463 0.01 . 1 . . 274 . A 514 ILE HG12 . 36004 1 263 . 1 . 1 35 35 ILE HG13 H 1 1.113 0.011 . 1 . . 275 . A 514 ILE HG13 . 36004 1 264 . 1 . 1 35 35 ILE CA C 13 60.457 0.034 . 1 . . 267 . A 514 ILE CA . 36004 1 265 . 1 . 1 35 35 ILE CB C 13 38.938 0.134 . 1 . . 268 . A 514 ILE CB . 36004 1 266 . 1 . 1 35 35 ILE CG1 C 13 27.277 0.098 . 1 . . 270 . A 514 ILE CG1 . 36004 1 267 . 1 . 1 35 35 ILE CG2 C 13 17.390 0.059 . 1 . . 271 . A 514 ILE CG2 . 36004 1 268 . 1 . 1 35 35 ILE CD1 C 13 13.319 0.079 . 1 . . 269 . A 514 ILE CD1 . 36004 1 269 . 1 . 1 35 35 ILE N N 15 119.581 0.087 . 1 . . 279 . A 514 ILE N . 36004 1 270 . 1 . 1 36 36 SER H H 1 8.133 0.002 . 1 . . 285 . A 515 SER H . 36004 1 271 . 1 . 1 36 36 SER HA H 1 4.408 0.004 . 1 . . 282 . A 515 SER HA . 36004 1 272 . 1 . 1 36 36 SER HB2 H 1 3.972 0.003 . 1 . . 283 . A 515 SER HB2 . 36004 1 273 . 1 . 1 36 36 SER HB3 H 1 3.718 0.005 . 1 . . 284 . A 515 SER HB3 . 36004 1 274 . 1 . 1 36 36 SER CA C 13 58.344 0.045 . 1 . . 280 . A 515 SER CA . 36004 1 275 . 1 . 1 36 36 SER CB C 13 63.591 0.063 . 1 . . 281 . A 515 SER CB . 36004 1 276 . 1 . 1 36 36 SER N N 15 119.326 0.06 . 1 . . 286 . A 515 SER N . 36004 1 277 . 1 . 1 37 37 SER H H 1 8.697 0.001 . 1 . . 292 . A 516 SER H . 36004 1 278 . 1 . 1 37 37 SER HA H 1 4.033 0.004 . 1 . . 289 . A 516 SER HA . 36004 1 279 . 1 . 1 37 37 SER HB2 H 1 3.926 0.005 . 1 . . 290 . A 516 SER HB2 . 36004 1 280 . 1 . 1 37 37 SER HB3 H 1 3.813 0.003 . 1 . . 291 . A 516 SER HB3 . 36004 1 281 . 1 . 1 37 37 SER CA C 13 60.797 0.069 . 1 . . 287 . A 516 SER CA . 36004 1 282 . 1 . 1 37 37 SER CB C 13 62.703 0.136 . 1 . . 288 . A 516 SER CB . 36004 1 283 . 1 . 1 37 37 SER N N 15 119.300 0.018 . 1 . . 293 . A 516 SER N . 36004 1 284 . 1 . 1 38 38 ARG H H 1 7.901 0.001 . 1 . . 303 . A 517 ARG H . 36004 1 285 . 1 . 1 38 38 ARG HA H 1 4.125 0.008 . 1 . . 298 . A 517 ARG HA . 36004 1 286 . 1 . 1 38 38 ARG HB2 H 1 1.577 0.016 . 1 . . 299 . A 517 ARG HB2 . 36004 1 287 . 1 . 1 38 38 ARG HB3 H 1 1.521 0.007 . 1 . . 300 . A 517 ARG HB3 . 36004 1 288 . 1 . 1 38 38 ARG HG2 H 1 1.269 0.009 . 1 . . 301 . A 517 ARG HG2 . 36004 1 289 . 1 . 1 38 38 ARG HG3 H 1 1.099 0.007 . 1 . . 302 . A 517 ARG HG3 . 36004 1 290 . 1 . 1 38 38 ARG HD2 H 1 2.989 0.005 . 1 . . 305 . A 517 ARG HD2 . 36004 1 291 . 1 . 1 38 38 ARG HD3 H 1 2.989 0.005 . 1 . . 750 . A 517 ARG HD3 . 36004 1 292 . 1 . 1 38 38 ARG CA C 13 57.304 0.103 . 1 . . 294 . A 517 ARG CA . 36004 1 293 . 1 . 1 38 38 ARG CB C 13 29.675 0.088 . 1 . . 295 . A 517 ARG CB . 36004 1 294 . 1 . 1 38 38 ARG CG C 13 26.505 0.115 . 1 . . 297 . A 517 ARG CG . 36004 1 295 . 1 . 1 38 38 ARG CD C 13 43.086 0.027 . 1 . . 296 . A 517 ARG CD . 36004 1 296 . 1 . 1 38 38 ARG N N 15 120.608 0.017 . 1 . . 304 . A 517 ARG N . 36004 1 297 . 1 . 1 39 39 TYR H H 1 7.765 0.002 . 1 . . 311 . A 518 TYR H . 36004 1 298 . 1 . 1 39 39 TYR HA H 1 4.547 0.006 . 1 . . 308 . A 518 TYR HA . 36004 1 299 . 1 . 1 39 39 TYR HB2 H 1 3.242 0.006 . 1 . . 309 . A 518 TYR HB2 . 36004 1 300 . 1 . 1 39 39 TYR HB3 H 1 2.822 0.005 . 1 . . 310 . A 518 TYR HB3 . 36004 1 301 . 1 . 1 39 39 TYR CA C 13 57.445 0.027 . 1 . . 306 . A 518 TYR CA . 36004 1 302 . 1 . 1 39 39 TYR CB C 13 38.610 0.115 . 1 . . 307 . A 518 TYR CB . 36004 1 303 . 1 . 1 39 39 TYR N N 15 118.164 0.073 . 1 . . 312 . A 518 TYR N . 36004 1 304 . 1 . 1 40 40 ILE H H 1 7.107 0.002 . 1 . . 320 . A 519 ILE H . 36004 1 305 . 1 . 1 40 40 ILE HA H 1 4.009 0.008 . 1 . . 318 . A 519 ILE HA . 36004 1 306 . 1 . 1 40 40 ILE HB H 1 1.813 0.008 . 1 . . 319 . A 519 ILE HB . 36004 1 307 . 1 . 1 40 40 ILE HG12 H 1 1.757 0.007 . 1 . . 324 . A 519 ILE HG12 . 36004 1 308 . 1 . 1 40 40 ILE HG13 H 1 1.757 0.007 . 1 . . 751 . A 519 ILE HG13 . 36004 1 309 . 1 . 1 40 40 ILE CA C 13 62.053 0.09 . 1 . . 313 . A 519 ILE CA . 36004 1 310 . 1 . 1 40 40 ILE CB C 13 38.748 0.116 . 1 . . 314 . A 519 ILE CB . 36004 1 311 . 1 . 1 40 40 ILE CG1 C 13 27.662 0.069 . 1 . . 316 . A 519 ILE CG1 . 36004 1 312 . 1 . 1 40 40 ILE CG2 C 13 17.357 0.057 . 1 . . 317 . A 519 ILE CG2 . 36004 1 313 . 1 . 1 40 40 ILE CD1 C 13 14.711 0.085 . 1 . . 315 . A 519 ILE CD1 . 36004 1 314 . 1 . 1 40 40 ILE N N 15 118.253 0.084 . 1 . . 323 . A 519 ILE N . 36004 1 315 . 1 . 1 41 41 GLY H H 1 8.313 0.003 . 1 . . 328 . A 520 GLY H . 36004 1 316 . 1 . 1 41 41 GLY HA3 H 1 4.461 0.006 . 1 . . 326 . A 520 GLY HA3 . 36004 1 317 . 1 . 1 41 41 GLY CA C 13 44.238 0.061 . 1 . . 325 . A 520 GLY CA . 36004 1 318 . 1 . 1 41 41 GLY N N 15 115.950 0.093 . 1 . . 329 . A 520 GLY N . 36004 1 319 . 1 . 1 42 42 ASN H H 1 8.726 0.002 . 1 . . 335 . A 521 ASN H . 36004 1 320 . 1 . 1 42 42 ASN HA H 1 4.411 0.004 . 1 . . 332 . A 521 ASN HA . 36004 1 321 . 1 . 1 42 42 ASN HB2 H 1 2.515 0.007 . 1 . . 333 . A 521 ASN HB2 . 36004 1 322 . 1 . 1 42 42 ASN HB3 H 1 2.422 0.007 . 1 . . 334 . A 521 ASN HB3 . 36004 1 323 . 1 . 1 42 42 ASN CA C 13 54.535 0.06 . 1 . . 330 . A 521 ASN CA . 36004 1 324 . 1 . 1 42 42 ASN CB C 13 39.381 0.13 . 1 . . 331 . A 521 ASN CB . 36004 1 325 . 1 . 1 42 42 ASN N N 15 120.388 0.077 . 1 . . 336 . A 521 ASN N . 36004 1 326 . 1 . 1 43 43 ILE H H 1 8.189 0.002 . 1 . . 344 . A 522 ILE H . 36004 1 327 . 1 . 1 43 43 ILE HA H 1 4.953 0.005 . 1 . . 342 . A 522 ILE HA . 36004 1 328 . 1 . 1 43 43 ILE HB H 1 1.577 0.01 . 1 . . 343 . A 522 ILE HB . 36004 1 329 . 1 . 1 43 43 ILE HG12 H 1 1.878 0.007 . 1 . . 348 . A 522 ILE HG12 . 36004 1 330 . 1 . 1 43 43 ILE HG13 H 1 1.878 0.007 . 1 . . 752 . A 522 ILE HG13 . 36004 1 331 . 1 . 1 43 43 ILE CA C 13 60.255 0.032 . 1 . . 337 . A 522 ILE CA . 36004 1 332 . 1 . 1 43 43 ILE CB C 13 40.809 0.11 . 1 . . 338 . A 522 ILE CB . 36004 1 333 . 1 . 1 43 43 ILE CG1 C 13 28.552 0.111 . 1 . . 340 . A 522 ILE CG1 . 36004 1 334 . 1 . 1 43 43 ILE CG2 C 13 18.346 0.096 . 1 . . 341 . A 522 ILE CG2 . 36004 1 335 . 1 . 1 43 43 ILE CD1 C 13 15.196 0.097 . 1 . . 339 . A 522 ILE CD1 . 36004 1 336 . 1 . 1 43 43 ILE N N 15 124.751 0.067 . 1 . . 347 . A 522 ILE N . 36004 1 337 . 1 . 1 44 44 LYS H H 1 8.732 0.003 . 1 . . 359 . A 523 LYS H . 36004 1 338 . 1 . 1 44 44 LYS HA H 1 4.428 0.008 . 1 . . 354 . A 523 LYS HA . 36004 1 339 . 1 . 1 44 44 LYS HB2 H 1 1.788 0.008 . 1 . . 355 . A 523 LYS HB2 . 36004 1 340 . 1 . 1 44 44 LYS HB3 H 1 1.432 0.008 . 1 . . 356 . A 523 LYS HB3 . 36004 1 341 . 1 . 1 44 44 LYS HG2 H 1 1.230 0.009 . 1 . . 357 . A 523 LYS HG2 . 36004 1 342 . 1 . 1 44 44 LYS HG3 H 1 1.045 0.01 . 1 . . 358 . A 523 LYS HG3 . 36004 1 343 . 1 . 1 44 44 LYS HD2 H 1 1.620 0.012 . 1 . . 361 . A 523 LYS HD2 . 36004 1 344 . 1 . 1 44 44 LYS HD3 H 1 1.620 0.012 . 1 . . 753 . A 523 LYS HD3 . 36004 1 345 . 1 . 1 44 44 LYS HE2 H 1 2.856 0.008 . 1 . . 362 . A 523 LYS HE2 . 36004 1 346 . 1 . 1 44 44 LYS HE3 H 1 2.856 0.008 . 1 . . 754 . A 523 LYS HE3 . 36004 1 347 . 1 . 1 44 44 LYS CA C 13 54.769 0.102 . 1 . . 349 . A 523 LYS CA . 36004 1 348 . 1 . 1 44 44 LYS CB C 13 35.082 0.072 . 1 . . 350 . A 523 LYS CB . 36004 1 349 . 1 . 1 44 44 LYS CG C 13 24.983 0.282 . 1 . . 353 . A 523 LYS CG . 36004 1 350 . 1 . 1 44 44 LYS CD C 13 29.026 0.127 . 1 . . 351 . A 523 LYS CD . 36004 1 351 . 1 . 1 44 44 LYS CE C 13 42.018 0.06 . 1 . . 352 . A 523 LYS CE . 36004 1 352 . 1 . 1 44 44 LYS N N 15 128.626 0.072 . 1 . . 360 . A 523 LYS N . 36004 1 353 . 1 . 1 45 45 LEU H H 1 8.190 0.002 . 1 . . 372 . A 524 LEU H . 36004 1 354 . 1 . 1 45 45 LEU HA H 1 4.690 0.008 . 1 . . 368 . A 524 LEU HA . 36004 1 355 . 1 . 1 45 45 LEU HB2 H 1 1.553 0.007 . 1 . . 369 . A 524 LEU HB2 . 36004 1 356 . 1 . 1 45 45 LEU HB3 H 1 1.185 0.007 . 1 . . 370 . A 524 LEU HB3 . 36004 1 357 . 1 . 1 45 45 LEU HG H 1 1.562 0.007 . 1 . . 371 . A 524 LEU HG . 36004 1 358 . 1 . 1 45 45 LEU CA C 13 54.214 0.081 . 1 . . 363 . A 524 LEU CA . 36004 1 359 . 1 . 1 45 45 LEU CB C 13 43.272 0.066 . 1 . . 364 . A 524 LEU CB . 36004 1 360 . 1 . 1 45 45 LEU CG C 13 27.084 0.089 . 1 . . 367 . A 524 LEU CG . 36004 1 361 . 1 . 1 45 45 LEU CD1 C 13 26.174 0.092 . 1 . . 365 . A 524 LEU CD1 . 36004 1 362 . 1 . 1 45 45 LEU CD2 C 13 24.587 0.049 . 1 . . 366 . A 524 LEU CD2 . 36004 1 363 . 1 . 1 45 45 LEU N N 15 122.673 0.038 . 1 . . 375 . A 524 LEU N . 36004 1 364 . 1 . 1 46 46 PHE H H 1 8.480 0.004 . 1 . . 381 . A 525 PHE H . 36004 1 365 . 1 . 1 46 46 PHE HA H 1 4.722 0.005 . 1 . . 378 . A 525 PHE HA . 36004 1 366 . 1 . 1 46 46 PHE HB2 H 1 3.146 0.007 . 1 . . 379 . A 525 PHE HB2 . 36004 1 367 . 1 . 1 46 46 PHE HB3 H 1 2.108 0.01 . 1 . . 380 . A 525 PHE HB3 . 36004 1 368 . 1 . 1 46 46 PHE CA C 13 55.881 0.03 . 1 . . 376 . A 525 PHE CA . 36004 1 369 . 1 . 1 46 46 PHE CB C 13 38.797 0.096 . 1 . . 377 . A 525 PHE CB . 36004 1 370 . 1 . 1 46 46 PHE N N 15 123.435 0.09 . 1 . . 382 . A 525 PHE N . 36004 1 371 . 1 . 1 47 47 ALA H H 1 8.552 0.002 . 1 . . 386 . A 526 ALA H . 36004 1 372 . 1 . 1 47 47 ALA HA H 1 4.035 0.004 . 1 . . 385 . A 526 ALA HA . 36004 1 373 . 1 . 1 47 47 ALA CA C 13 57.456 0.038 . 1 . . 383 . A 526 ALA CA . 36004 1 374 . 1 . 1 47 47 ALA CB C 13 18.549 0.032 . 1 . . 384 . A 526 ALA CB . 36004 1 375 . 1 . 1 47 47 ALA N N 15 124.401 0.072 . 1 . . 388 . A 526 ALA N . 36004 1 376 . 1 . 1 48 48 SER H H 1 8.865 0.003 . 1 . . 392 . A 527 SER H . 36004 1 377 . 1 . 1 48 48 SER HA H 1 4.794 0.005 . 1 . . 391 . A 527 SER HA . 36004 1 378 . 1 . 1 48 48 SER HB2 H 1 3.997 0.006 . 1 . . 755 . A 527 SER HB2 . 36004 1 379 . 1 . 1 48 48 SER HB3 H 1 3.997 0.005 . 1 . . 394 . A 527 SER HB3 . 36004 1 380 . 1 . 1 48 48 SER CA C 13 56.776 0.046 . 1 . . 389 . A 527 SER CA . 36004 1 381 . 1 . 1 48 48 SER CB C 13 65.086 0.081 . 1 . . 390 . A 527 SER CB . 36004 1 382 . 1 . 1 48 48 SER N N 15 107.467 0.168 . 1 . . 393 . A 527 SER N . 36004 1 383 . 1 . 1 49 49 HIS H H 1 7.472 0.001 . 1 . . 400 . A 528 HIS H . 36004 1 384 . 1 . 1 49 49 HIS HA H 1 4.917 0.004 . 1 . . 397 . A 528 HIS HA . 36004 1 385 . 1 . 1 49 49 HIS HB2 H 1 3.410 0.007 . 1 . . 398 . A 528 HIS HB2 . 36004 1 386 . 1 . 1 49 49 HIS HB3 H 1 2.934 0.01 . 1 . . 399 . A 528 HIS HB3 . 36004 1 387 . 1 . 1 49 49 HIS CA C 13 55.008 0.02 . 1 . . 395 . A 528 HIS CA . 36004 1 388 . 1 . 1 49 49 HIS CB C 13 32.416 0.128 . 1 . . 396 . A 528 HIS CB . 36004 1 389 . 1 . 1 49 49 HIS N N 15 118.374 0.017 . 1 . . 401 . A 528 HIS N . 36004 1 390 . 1 . 1 50 50 SER H H 1 8.956 0.003 . 1 . . 407 . A 529 SER H . 36004 1 391 . 1 . 1 50 50 SER HA H 1 5.559 0.002 . 1 . . 404 . A 529 SER HA . 36004 1 392 . 1 . 1 50 50 SER HB2 H 1 3.915 0.008 . 1 . . 405 . A 529 SER HB2 . 36004 1 393 . 1 . 1 50 50 SER HB3 H 1 3.432 0.004 . 1 . . 406 . A 529 SER HB3 . 36004 1 394 . 1 . 1 50 50 SER CA C 13 58.425 0.039 . 1 . . 402 . A 529 SER CA . 36004 1 395 . 1 . 1 50 50 SER CB C 13 67.453 0.091 . 1 . . 403 . A 529 SER CB . 36004 1 396 . 1 . 1 50 50 SER N N 15 112.979 0.173 . 1 . . 408 . A 529 SER N . 36004 1 397 . 1 . 1 51 51 THR H H 1 9.819 0.004 . 1 . . 414 . A 530 THR H . 36004 1 398 . 1 . 1 51 51 THR HA H 1 5.940 0.004 . 1 . . 412 . A 530 THR HA . 36004 1 399 . 1 . 1 51 51 THR HB H 1 4.444 0.007 . 1 . . 413 . A 530 THR HB . 36004 1 400 . 1 . 1 51 51 THR CA C 13 59.471 0.083 . 1 . . 409 . A 530 THR CA . 36004 1 401 . 1 . 1 51 51 THR CB C 13 71.646 0.022 . 1 . . 410 . A 530 THR CB . 36004 1 402 . 1 . 1 51 51 THR CG2 C 13 20.921 0.065 . 1 . . 411 . A 530 THR CG2 . 36004 1 403 . 1 . 1 51 51 THR N N 15 113.548 0.089 . 1 . . 416 . A 530 THR N . 36004 1 404 . 1 . 1 52 52 ILE H H 1 9.153 0.003 . 1 . . 426 . A 531 ILE H . 36004 1 405 . 1 . 1 52 52 ILE HA H 1 4.953 0.004 . 1 . . 422 . A 531 ILE HA . 36004 1 406 . 1 . 1 52 52 ILE HB H 1 1.505 0.009 . 1 . . 423 . A 531 ILE HB . 36004 1 407 . 1 . 1 52 52 ILE HG12 H 1 1.440 0.006 . 1 . . 424 . A 531 ILE HG12 . 36004 1 408 . 1 . 1 52 52 ILE HG13 H 1 0.851 0.013 . 1 . . 425 . A 531 ILE HG13 . 36004 1 409 . 1 . 1 52 52 ILE CA C 13 59.548 0.056 . 1 . . 417 . A 531 ILE CA . 36004 1 410 . 1 . 1 52 52 ILE CB C 13 43.096 0.106 . 1 . . 418 . A 531 ILE CB . 36004 1 411 . 1 . 1 52 52 ILE CG1 C 13 28.421 0.062 . 1 . . 420 . A 531 ILE CG1 . 36004 1 412 . 1 . 1 52 52 ILE CG2 C 13 16.934 0.022 . 1 . . 421 . A 531 ILE CG2 . 36004 1 413 . 1 . 1 52 52 ILE CD1 C 13 16.046 0.148 . 1 . . 419 . A 531 ILE CD1 . 36004 1 414 . 1 . 1 52 52 ILE N N 15 118.595 0.082 . 1 . . 429 . A 531 ILE N . 36004 1 415 . 1 . 1 53 53 GLU H H 1 7.480 0.001 . 1 . . 438 . A 532 GLU H . 36004 1 416 . 1 . 1 53 53 GLU HA H 1 5.477 0.005 . 1 . . 433 . A 532 GLU HA . 36004 1 417 . 1 . 1 53 53 GLU HB2 H 1 2.061 0.008 . 1 . . 434 . A 532 GLU HB2 . 36004 1 418 . 1 . 1 53 53 GLU HB3 H 1 1.941 0.01 . 1 . . 435 . A 532 GLU HB3 . 36004 1 419 . 1 . 1 53 53 GLU HG2 H 1 2.497 0.008 . 1 . . 436 . A 532 GLU HG2 . 36004 1 420 . 1 . 1 53 53 GLU HG3 H 1 2.081 0.007 . 1 . . 437 . A 532 GLU HG3 . 36004 1 421 . 1 . 1 53 53 GLU CA C 13 54.536 0.028 . 1 . . 430 . A 532 GLU CA . 36004 1 422 . 1 . 1 53 53 GLU CB C 13 31.741 0.073 . 1 . . 431 . A 532 GLU CB . 36004 1 423 . 1 . 1 53 53 GLU CG C 13 37.108 0.081 . 1 . . 432 . A 532 GLU CG . 36004 1 424 . 1 . 1 53 53 GLU N N 15 126.667 0.072 . 1 . . 439 . A 532 GLU N . 36004 1 425 . 1 . 1 54 54 LEU H H 1 9.046 0.002 . 1 . . 449 . A 533 LEU H . 36004 1 426 . 1 . 1 54 54 LEU HA H 1 5.126 0.004 . 1 . . 445 . A 533 LEU HA . 36004 1 427 . 1 . 1 54 54 LEU HB2 H 1 1.638 0.006 . 1 . . 446 . A 533 LEU HB2 . 36004 1 428 . 1 . 1 54 54 LEU HB3 H 1 1.479 0.01 . 1 . . 447 . A 533 LEU HB3 . 36004 1 429 . 1 . 1 54 54 LEU HG H 1 1.463 0.009 . 1 . . 448 . A 533 LEU HG . 36004 1 430 . 1 . 1 54 54 LEU CA C 13 51.755 0.022 . 1 . . 440 . A 533 LEU CA . 36004 1 431 . 1 . 1 54 54 LEU CB C 13 44.165 0.065 . 1 . . 441 . A 533 LEU CB . 36004 1 432 . 1 . 1 54 54 LEU CG C 13 27.173 0.08 . 1 . . 443 . A 533 LEU CG . 36004 1 433 . 1 . 1 54 54 LEU CD1 C 13 24.331 0.013 . 1 . . 442 . A 533 LEU CD1 . 36004 1 434 . 1 . 1 54 54 LEU N N 15 123.419 0.081 . 1 . . 452 . A 533 LEU N . 36004 1 435 . 1 . 1 55 55 PRO HA H 1 4.839 0.005 . 1 . . 457 . A 534 PRO HA . 36004 1 436 . 1 . 1 55 55 PRO HB2 H 1 2.417 0.009 . 1 . . 458 . A 534 PRO HB2 . 36004 1 437 . 1 . 1 55 55 PRO HB3 H 1 1.828 0.007 . 1 . . 459 . A 534 PRO HB3 . 36004 1 438 . 1 . 1 55 55 PRO HG2 H 1 2.036 0.013 . 1 . . 462 . A 534 PRO HG2 . 36004 1 439 . 1 . 1 55 55 PRO HG3 H 1 1.992 0.012 . 1 . . 463 . A 534 PRO HG3 . 36004 1 440 . 1 . 1 55 55 PRO HD2 H 1 4.160 0.005 . 1 . . 460 . A 534 PRO HD2 . 36004 1 441 . 1 . 1 55 55 PRO HD3 H 1 3.553 0.007 . 1 . . 461 . A 534 PRO HD3 . 36004 1 442 . 1 . 1 55 55 PRO CA C 13 63.660 0.041 . 1 . . 453 . A 534 PRO CA . 36004 1 443 . 1 . 1 55 55 PRO CB C 13 32.318 0.099 . 1 . . 454 . A 534 PRO CB . 36004 1 444 . 1 . 1 55 55 PRO CG C 13 28.658 0.048 . 1 . . 456 . A 534 PRO CG . 36004 1 445 . 1 . 1 55 55 PRO CD C 13 50.515 0.036 . 1 . . 455 . A 534 PRO CD . 36004 1 446 . 1 . 1 56 56 LYS H H 1 8.490 0.002 . 1 . . 474 . A 535 LYS H . 36004 1 447 . 1 . 1 56 56 LYS HA H 1 4.125 0.006 . 1 . . 469 . A 535 LYS HA . 36004 1 448 . 1 . 1 56 56 LYS HB2 H 1 1.743 0.011 . 1 . . 470 . A 535 LYS HB2 . 36004 1 449 . 1 . 1 56 56 LYS HB3 H 1 1.563 0.013 . 1 . . 471 . A 535 LYS HB3 . 36004 1 450 . 1 . 1 56 56 LYS HG2 H 1 1.363 0.013 . 1 . . 472 . A 535 LYS HG2 . 36004 1 451 . 1 . 1 56 56 LYS HG3 H 1 1.265 0.009 . 1 . . 473 . A 535 LYS HG3 . 36004 1 452 . 1 . 1 56 56 LYS HD2 H 1 1.665 0.01 . 1 . . 476 . A 535 LYS HD2 . 36004 1 453 . 1 . 1 56 56 LYS HD3 H 1 1.665 0.01 . 1 . . 756 . A 535 LYS HD3 . 36004 1 454 . 1 . 1 56 56 LYS HE2 H 1 2.890 0.013 . 1 . . 477 . A 535 LYS HE2 . 36004 1 455 . 1 . 1 56 56 LYS HE3 H 1 2.890 0.013 . 1 . . 757 . A 535 LYS HE3 . 36004 1 456 . 1 . 1 56 56 LYS CA C 13 57.798 0.056 . 1 . . 464 . A 535 LYS CA . 36004 1 457 . 1 . 1 56 56 LYS CB C 13 33.280 0.099 . 1 . . 465 . A 535 LYS CB . 36004 1 458 . 1 . 1 56 56 LYS CG C 13 25.635 0.08 . 1 . . 468 . A 535 LYS CG . 36004 1 459 . 1 . 1 56 56 LYS CD C 13 29.249 0.131 . 1 . . 466 . A 535 LYS CD . 36004 1 460 . 1 . 1 56 56 LYS CE C 13 41.881 0.028 . 1 . . 467 . A 535 LYS CE . 36004 1 461 . 1 . 1 56 56 LYS N N 15 123.484 0.117 . 1 . . 475 . A 535 LYS N . 36004 1 462 . 1 . 1 57 57 GLY H H 1 8.561 0.002 . 1 . . 481 . A 536 GLY H . 36004 1 463 . 1 . 1 57 57 GLY HA3 H 1 3.969 0.004 . 1 . . 479 . A 536 GLY HA3 . 36004 1 464 . 1 . 1 57 57 GLY CA C 13 45.260 0.134 . 1 . . 478 . A 536 GLY CA . 36004 1 465 . 1 . 1 57 57 GLY N N 15 110.571 0.053 . 1 . . 482 . A 536 GLY N . 36004 1 466 . 1 . 1 58 58 MET H H 1 7.766 0.002 . 1 . . 488 . A 537 MET H . 36004 1 467 . 1 . 1 58 58 MET HA H 1 4.498 0.01 . 1 . . 485 . A 537 MET HA . 36004 1 468 . 1 . 1 58 58 MET HB2 H 1 2.092 0.004 . 1 . . 486 . A 537 MET HB2 . 36004 1 469 . 1 . 1 58 58 MET HB3 H 1 1.918 . . 1 . . 487 . A 537 MET HB3 . 36004 1 470 . 1 . 1 58 58 MET CA C 13 54.401 . . 1 . . 483 . A 537 MET CA . 36004 1 471 . 1 . 1 58 58 MET CB C 13 32.738 0.167 . 1 . . 484 . A 537 MET CB . 36004 1 472 . 1 . 1 58 58 MET N N 15 122.191 0.066 . 1 . . 489 . A 537 MET N . 36004 1 473 . 1 . 1 59 59 PRO HA H 1 4.476 0.009 . 1 . . 494 . A 538 PRO HA . 36004 1 474 . 1 . 1 59 59 PRO HB2 H 1 2.514 0.005 . 1 . . 495 . A 538 PRO HB2 . 36004 1 475 . 1 . 1 59 59 PRO HB3 H 1 1.928 0.007 . 1 . . 496 . A 538 PRO HB3 . 36004 1 476 . 1 . 1 59 59 PRO HG2 H 1 2.088 0.01 . 1 . . 499 . A 538 PRO HG2 . 36004 1 477 . 1 . 1 59 59 PRO HG3 H 1 2.088 0.01 . 1 . . 758 . A 538 PRO HG3 . 36004 1 478 . 1 . 1 59 59 PRO HD2 H 1 4.069 0.006 . 1 . . 497 . A 538 PRO HD2 . 36004 1 479 . 1 . 1 59 59 PRO HD3 H 1 3.470 0.007 . 1 . . 498 . A 538 PRO HD3 . 36004 1 480 . 1 . 1 59 59 PRO CA C 13 63.240 0.039 . 1 . . 490 . A 538 PRO CA . 36004 1 481 . 1 . 1 59 59 PRO CB C 13 32.611 0.109 . 1 . . 491 . A 538 PRO CB . 36004 1 482 . 1 . 1 59 59 PRO CG C 13 27.847 0.058 . 1 . . 493 . A 538 PRO CG . 36004 1 483 . 1 . 1 59 59 PRO CD C 13 51.134 0.051 . 1 . . 492 . A 538 PRO CD . 36004 1 484 . 1 . 1 60 60 GLY H H 1 8.987 0.003 . 1 . . 503 . A 539 GLY H . 36004 1 485 . 1 . 1 60 60 GLY HA3 H 1 4.002 0.005 . 1 . . 501 . A 539 GLY HA3 . 36004 1 486 . 1 . 1 60 60 GLY CA C 13 47.283 0.046 . 1 . . 500 . A 539 GLY CA . 36004 1 487 . 1 . 1 60 60 GLY N N 15 112.378 0.146 . 1 . . 504 . A 539 GLY N . 36004 1 488 . 1 . 1 61 61 GLU H H 1 9.115 0.003 . 1 . . 509 . A 540 GLU H . 36004 1 489 . 1 . 1 61 61 GLU HA H 1 4.046 0.004 . 1 . . 508 . A 540 GLU HA . 36004 1 490 . 1 . 1 61 61 GLU HB2 H 1 1.965 0.005 . 1 . . 511 . A 540 GLU HB2 . 36004 1 491 . 1 . 1 61 61 GLU HB3 H 1 1.965 0.005 . 1 . . 759 . A 540 GLU HB3 . 36004 1 492 . 1 . 1 61 61 GLU HG2 H 1 2.257 0.008 . 1 . . 512 . A 540 GLU HG2 . 36004 1 493 . 1 . 1 61 61 GLU HG3 H 1 2.257 0.008 . 1 . . 760 . A 540 GLU HG3 . 36004 1 494 . 1 . 1 61 61 GLU CA C 13 59.080 0.038 . 1 . . 505 . A 540 GLU CA . 36004 1 495 . 1 . 1 61 61 GLU CB C 13 28.895 0.14 . 1 . . 506 . A 540 GLU CB . 36004 1 496 . 1 . 1 61 61 GLU CG C 13 36.278 0.062 . 1 . . 507 . A 540 GLU CG . 36004 1 497 . 1 . 1 61 61 GLU N N 15 120.291 0.087 . 1 . . 510 . A 540 GLU N . 36004 1 498 . 1 . 1 62 62 VAL H H 1 7.285 0.001 . 1 . . 518 . A 541 VAL H . 36004 1 499 . 1 . 1 62 62 VAL HA H 1 3.498 0.009 . 1 . . 516 . A 541 VAL HA . 36004 1 500 . 1 . 1 62 62 VAL HB H 1 2.055 0.008 . 1 . . 517 . A 541 VAL HB . 36004 1 501 . 1 . 1 62 62 VAL CA C 13 65.489 0.056 . 1 . . 513 . A 541 VAL CA . 36004 1 502 . 1 . 1 62 62 VAL CB C 13 31.672 0.122 . 1 . . 514 . A 541 VAL CB . 36004 1 503 . 1 . 1 62 62 VAL N N 15 120.361 0.095 . 1 . . 521 . A 541 VAL N . 36004 1 504 . 1 . 1 63 63 LEU H H 1 7.493 0.001 . 1 . . 528 . A 542 LEU H . 36004 1 505 . 1 . 1 63 63 LEU HA H 1 4.060 0.006 . 1 . . 526 . A 542 LEU HA . 36004 1 506 . 1 . 1 63 63 LEU HB2 H 1 1.735 0.012 . 1 . . 532 . A 542 LEU HB2 . 36004 1 507 . 1 . 1 63 63 LEU HB3 H 1 1.735 0.012 . 1 . . 761 . A 542 LEU HB3 . 36004 1 508 . 1 . 1 63 63 LEU HG H 1 1.685 0.008 . 1 . . 527 . A 542 LEU HG . 36004 1 509 . 1 . 1 63 63 LEU CA C 13 57.937 0.047 . 1 . . 522 . A 542 LEU CA . 36004 1 510 . 1 . 1 63 63 LEU CB C 13 41.026 0.055 . 1 . . 523 . A 542 LEU CB . 36004 1 511 . 1 . 1 63 63 LEU CG C 13 27.347 0.09 . 1 . . 524 . A 542 LEU CG . 36004 1 512 . 1 . 1 63 63 LEU N N 15 119.189 0.013 . 1 . . 531 . A 542 LEU N . 36004 1 513 . 1 . 1 64 64 GLN H H 1 8.056 0.002 . 1 . . 538 . A 543 GLN H . 36004 1 514 . 1 . 1 64 64 GLN HA H 1 4.091 0.008 . 1 . . 537 . A 543 GLN HA . 36004 1 515 . 1 . 1 64 64 GLN HB2 H 1 2.081 0.007 . 1 . . 540 . A 543 GLN HB2 . 36004 1 516 . 1 . 1 64 64 GLN HB3 H 1 2.081 0.007 . 1 . . 762 . A 543 GLN HB3 . 36004 1 517 . 1 . 1 64 64 GLN HG2 H 1 2.387 0.008 . 1 . . 541 . A 543 GLN HG2 . 36004 1 518 . 1 . 1 64 64 GLN HG3 H 1 2.387 0.008 . 1 . . 763 . A 543 GLN HG3 . 36004 1 519 . 1 . 1 64 64 GLN CA C 13 58.290 0.031 . 1 . . 534 . A 543 GLN CA . 36004 1 520 . 1 . 1 64 64 GLN CB C 13 27.868 0.096 . 1 . . 535 . A 543 GLN CB . 36004 1 521 . 1 . 1 64 64 GLN CG C 13 33.609 0.048 . 1 . . 536 . A 543 GLN CG . 36004 1 522 . 1 . 1 64 64 GLN N N 15 117.180 0.08 . 1 . . 539 . A 543 GLN N . 36004 1 523 . 1 . 1 65 65 HIS H H 1 7.735 0.001 . 1 . . 545 . A 544 HIS H . 36004 1 524 . 1 . 1 65 65 HIS HA H 1 4.372 0.01 . 1 . . 544 . A 544 HIS HA . 36004 1 525 . 1 . 1 65 65 HIS HB2 H 1 3.003 0.007 . 1 . . 764 . A 544 HIS HB2 . 36004 1 526 . 1 . 1 65 65 HIS HB3 H 1 3.003 0.01 . 1 . . 547 . A 544 HIS HB3 . 36004 1 527 . 1 . 1 65 65 HIS CA C 13 58.104 0.084 . 1 . . 542 . A 544 HIS CA . 36004 1 528 . 1 . 1 65 65 HIS CB C 13 28.553 0.112 . 1 . . 543 . A 544 HIS CB . 36004 1 529 . 1 . 1 65 65 HIS N N 15 119.078 0.021 . 1 . . 546 . A 544 HIS N . 36004 1 530 . 1 . 1 66 66 PHE H H 1 7.833 0.003 . 1 . . 553 . A 545 PHE H . 36004 1 531 . 1 . 1 66 66 PHE HA H 1 4.994 0.005 . 1 . . 550 . A 545 PHE HA . 36004 1 532 . 1 . 1 66 66 PHE HB2 H 1 3.533 0.004 . 1 . . 551 . A 545 PHE HB2 . 36004 1 533 . 1 . 1 66 66 PHE HB3 H 1 3.068 0.006 . 1 . . 552 . A 545 PHE HB3 . 36004 1 534 . 1 . 1 66 66 PHE CA C 13 58.325 0.028 . 1 . . 548 . A 545 PHE CA . 36004 1 535 . 1 . 1 66 66 PHE CB C 13 38.657 0.064 . 1 . . 549 . A 545 PHE CB . 36004 1 536 . 1 . 1 66 66 PHE N N 15 117.491 0.11 . 1 . . 554 . A 545 PHE N . 36004 1 537 . 1 . 1 67 67 THR H H 1 7.863 0.002 . 1 . . 561 . A 546 THR H . 36004 1 538 . 1 . 1 67 67 THR HA H 1 4.201 0.005 . 1 . . 559 . A 546 THR HA . 36004 1 539 . 1 . 1 67 67 THR HB H 1 4.351 0.007 . 1 . . 560 . A 546 THR HB . 36004 1 540 . 1 . 1 67 67 THR CA C 13 65.740 0.061 . 1 . . 555 . A 546 THR CA . 36004 1 541 . 1 . 1 67 67 THR CB C 13 69.359 0.192 . 1 . . 556 . A 546 THR CB . 36004 1 542 . 1 . 1 67 67 THR CG2 C 13 21.923 0.026 . 1 . . 558 . A 546 THR CG2 . 36004 1 543 . 1 . 1 67 67 THR N N 15 113.126 0.091 . 1 . . 563 . A 546 THR N . 36004 1 544 . 1 . 1 68 68 ARG H H 1 7.805 0.001 . 1 . . 571 . A 547 ARG H . 36004 1 545 . 1 . 1 68 68 ARG HA H 1 4.517 0.004 . 1 . . 568 . A 547 ARG HA . 36004 1 546 . 1 . 1 68 68 ARG HB2 H 1 2.013 0.009 . 1 . . 569 . A 547 ARG HB2 . 36004 1 547 . 1 . 1 68 68 ARG HB3 H 1 1.814 0.006 . 1 . . 570 . A 547 ARG HB3 . 36004 1 548 . 1 . 1 68 68 ARG HG2 H 1 1.685 0.008 . 1 . . 574 . A 547 ARG HG2 . 36004 1 549 . 1 . 1 68 68 ARG HG3 H 1 1.685 0.008 . 1 . . 766 . A 547 ARG HG3 . 36004 1 550 . 1 . 1 68 68 ARG HD2 H 1 3.202 0.013 . 1 . . 573 . A 547 ARG HD2 . 36004 1 551 . 1 . 1 68 68 ARG HD3 H 1 3.202 0.013 . 1 . . 765 . A 547 ARG HD3 . 36004 1 552 . 1 . 1 68 68 ARG CA C 13 55.704 0.046 . 1 . . 564 . A 547 ARG CA . 36004 1 553 . 1 . 1 68 68 ARG CB C 13 30.899 0.081 . 1 . . 565 . A 547 ARG CB . 36004 1 554 . 1 . 1 68 68 ARG CG C 13 27.241 0.08 . 1 . . 567 . A 547 ARG CG . 36004 1 555 . 1 . 1 68 68 ARG CD C 13 43.195 0.037 . 1 . . 566 . A 547 ARG CD . 36004 1 556 . 1 . 1 68 68 ARG N N 15 118.214 0.015 . 1 . . 572 . A 547 ARG N . 36004 1 557 . 1 . 1 69 69 THR H H 1 7.540 0.002 . 1 . . 580 . A 548 THR H . 36004 1 558 . 1 . 1 69 69 THR HA H 1 4.073 0.003 . 1 . . 578 . A 548 THR HA . 36004 1 559 . 1 . 1 69 69 THR HB H 1 4.164 0.006 . 1 . . 579 . A 548 THR HB . 36004 1 560 . 1 . 1 69 69 THR CA C 13 64.546 0.054 . 1 . . 575 . A 548 THR CA . 36004 1 561 . 1 . 1 69 69 THR CB C 13 69.612 0.157 . 1 . . 576 . A 548 THR CB . 36004 1 562 . 1 . 1 69 69 THR CG2 C 13 22.573 0.041 . 1 . . 577 . A 548 THR CG2 . 36004 1 563 . 1 . 1 69 69 THR N N 15 118.978 0.05 . 1 . . 582 . A 548 THR N . 36004 1 564 . 1 . 1 70 70 ARG H H 1 8.794 0.004 . 1 . . 590 . A 549 ARG H . 36004 1 565 . 1 . 1 70 70 ARG HA H 1 4.929 0.006 . 1 . . 587 . A 549 ARG HA . 36004 1 566 . 1 . 1 70 70 ARG HB2 H 1 1.666 0.006 . 1 . . 588 . A 549 ARG HB2 . 36004 1 567 . 1 . 1 70 70 ARG HB3 H 1 1.236 0.012 . 1 . . 589 . A 549 ARG HB3 . 36004 1 568 . 1 . 1 70 70 ARG HG2 H 1 1.102 0.011 . 1 . . 593 . A 549 ARG HG2 . 36004 1 569 . 1 . 1 70 70 ARG HG3 H 1 1.102 0.011 . 1 . . 768 . A 549 ARG HG3 . 36004 1 570 . 1 . 1 70 70 ARG HD2 H 1 2.992 0.006 . 1 . . 592 . A 549 ARG HD2 . 36004 1 571 . 1 . 1 70 70 ARG HD3 H 1 2.992 0.005 . 1 . . 767 . A 549 ARG HD3 . 36004 1 572 . 1 . 1 70 70 ARG CA C 13 54.595 0.046 . 1 . . 583 . A 549 ARG CA . 36004 1 573 . 1 . 1 70 70 ARG CB C 13 33.372 0.095 . 1 . . 584 . A 549 ARG CB . 36004 1 574 . 1 . 1 70 70 ARG CG C 13 27.763 0.078 . 1 . . 586 . A 549 ARG CG . 36004 1 575 . 1 . 1 70 70 ARG CD C 13 43.389 0.049 . 1 . . 585 . A 549 ARG CD . 36004 1 576 . 1 . 1 70 70 ARG N N 15 126.302 0.08 . 1 . . 591 . A 549 ARG N . 36004 1 577 . 1 . 1 71 71 ILE H H 1 8.791 0.003 . 1 . . 601 . A 550 ILE H . 36004 1 578 . 1 . 1 71 71 ILE HA H 1 4.074 0.007 . 1 . . 599 . A 550 ILE HA . 36004 1 579 . 1 . 1 71 71 ILE HB H 1 1.454 0.01 . 1 . . 600 . A 550 ILE HB . 36004 1 580 . 1 . 1 71 71 ILE HG12 H 1 0.883 0.01 . 1 . . 605 . A 550 ILE HG12 . 36004 1 581 . 1 . 1 71 71 ILE HG13 H 1 0.883 0.01 . 1 . . 769 . A 550 ILE HG13 . 36004 1 582 . 1 . 1 71 71 ILE CA C 13 60.573 0.036 . 1 . . 594 . A 550 ILE CA . 36004 1 583 . 1 . 1 71 71 ILE CB C 13 40.637 0.12 . 1 . . 595 . A 550 ILE CB . 36004 1 584 . 1 . 1 71 71 ILE CG1 C 13 27.249 0.104 . 1 . . 597 . A 550 ILE CG1 . 36004 1 585 . 1 . 1 71 71 ILE CG2 C 13 18.342 0.068 . 1 . . 598 . A 550 ILE CG2 . 36004 1 586 . 1 . 1 71 71 ILE CD1 C 13 14.779 0.09 . 1 . . 596 . A 550 ILE CD1 . 36004 1 587 . 1 . 1 71 71 ILE N N 15 120.878 0.083 . 1 . . 604 . A 550 ILE N . 36004 1 588 . 1 . 1 72 72 LEU H H 1 9.210 0.004 . 1 . . 614 . A 551 LEU H . 36004 1 589 . 1 . 1 72 72 LEU HA H 1 3.716 0.007 . 1 . . 610 . A 551 LEU HA . 36004 1 590 . 1 . 1 72 72 LEU HB2 H 1 1.669 0.007 . 1 . . 611 . A 551 LEU HB2 . 36004 1 591 . 1 . 1 72 72 LEU HB3 H 1 1.418 0.009 . 1 . . 612 . A 551 LEU HB3 . 36004 1 592 . 1 . 1 72 72 LEU HG H 1 1.168 0.009 . 1 . . 613 . A 551 LEU HG . 36004 1 593 . 1 . 1 72 72 LEU CA C 13 55.825 0.101 . 1 . . 606 . A 551 LEU CA . 36004 1 594 . 1 . 1 72 72 LEU CB C 13 38.252 0.067 . 1 . . 607 . A 551 LEU CB . 36004 1 595 . 1 . 1 72 72 LEU CD1 C 13 22.195 0.044 . 1 . . 608 . A 551 LEU CD1 . 36004 1 596 . 1 . 1 72 72 LEU CD2 C 13 25.523 0.122 . 1 . . 609 . A 551 LEU CD2 . 36004 1 597 . 1 . 1 72 72 LEU N N 15 125.976 0.089 . 1 . . 617 . A 551 LEU N . 36004 1 598 . 1 . 1 73 73 ASN H H 1 8.599 0.003 . 1 . . 623 . A 552 ASN H . 36004 1 599 . 1 . 1 73 73 ASN HA H 1 4.133 0.005 . 1 . . 620 . A 552 ASN HA . 36004 1 600 . 1 . 1 73 73 ASN HB2 H 1 3.123 0.007 . 1 . . 621 . A 552 ASN HB2 . 36004 1 601 . 1 . 1 73 73 ASN HB3 H 1 2.818 0.009 . 1 . . 622 . A 552 ASN HB3 . 36004 1 602 . 1 . 1 73 73 ASN CA C 13 54.464 0.05 . 1 . . 618 . A 552 ASN CA . 36004 1 603 . 1 . 1 73 73 ASN CB C 13 38.357 0.068 . 1 . . 619 . A 552 ASN CB . 36004 1 604 . 1 . 1 73 73 ASN N N 15 108.569 0.087 . 1 . . 624 . A 552 ASN N . 36004 1 605 . 1 . 1 74 74 LYS H H 1 8.152 0.003 . 1 . . 633 . A 553 LYS H . 36004 1 606 . 1 . 1 74 74 LYS HA H 1 4.818 0.007 . 1 . . 630 . A 553 LYS HA . 36004 1 607 . 1 . 1 74 74 LYS HB2 H 1 1.869 0.012 . 1 . . 631 . A 553 LYS HB2 . 36004 1 608 . 1 . 1 74 74 LYS HB3 H 1 1.740 0.007 . 1 . . 632 . A 553 LYS HB3 . 36004 1 609 . 1 . 1 74 74 LYS HG2 H 1 1.441 0.013 . 1 . . 772 . A 553 LYS HG2 . 36004 1 610 . 1 . 1 74 74 LYS HG3 H 1 1.441 0.013 . 1 . . 637 . A 553 LYS HG3 . 36004 1 611 . 1 . 1 74 74 LYS HD2 H 1 1.684 0.009 . 1 . . 635 . A 553 LYS HD2 . 36004 1 612 . 1 . 1 74 74 LYS HD3 H 1 1.684 0.009 . 1 . . 770 . A 553 LYS HD3 . 36004 1 613 . 1 . 1 74 74 LYS HE2 H 1 3.108 0.01 . 1 . . 771 . A 553 LYS HE2 . 36004 1 614 . 1 . 1 74 74 LYS HE3 H 1 3.108 0.009 . 1 . . 636 . A 553 LYS HE3 . 36004 1 615 . 1 . 1 74 74 LYS CA C 13 53.285 0.066 . 1 . . 625 . A 553 LYS CA . 36004 1 616 . 1 . 1 74 74 LYS CB C 13 33.709 0.076 . 1 . . 626 . A 553 LYS CB . 36004 1 617 . 1 . 1 74 74 LYS CG C 13 25.007 0.051 . 1 . . 629 . A 553 LYS CG . 36004 1 618 . 1 . 1 74 74 LYS CD C 13 28.983 0.053 . 1 . . 627 . A 553 LYS CD . 36004 1 619 . 1 . 1 74 74 LYS CE C 13 41.980 0.051 . 1 . . 628 . A 553 LYS CE . 36004 1 620 . 1 . 1 74 74 LYS N N 15 122.650 0.062 . 1 . . 634 . A 553 LYS N . 36004 1 621 . 1 . 1 75 75 PRO HA H 1 4.331 0.005 . 1 . . 642 . A 554 PRO HA . 36004 1 622 . 1 . 1 75 75 PRO HB2 H 1 2.212 0.01 . 1 . . 643 . A 554 PRO HB2 . 36004 1 623 . 1 . 1 75 75 PRO HB3 H 1 1.967 0.007 . 1 . . 644 . A 554 PRO HB3 . 36004 1 624 . 1 . 1 75 75 PRO HG2 H 1 2.136 0.008 . 1 . . 645 . A 554 PRO HG2 . 36004 1 625 . 1 . 1 75 75 PRO HG3 H 1 1.967 0.006 . 1 . . 646 . A 554 PRO HG3 . 36004 1 626 . 1 . 1 75 75 PRO HD2 H 1 3.710 0.01 . 1 . . 647 . A 554 PRO HD2 . 36004 1 627 . 1 . 1 75 75 PRO HD3 H 1 3.710 0.01 . 1 . . 773 . A 554 PRO HD3 . 36004 1 628 . 1 . 1 75 75 PRO CA C 13 62.566 0.075 . 1 . . 638 . A 554 PRO CA . 36004 1 629 . 1 . 1 75 75 PRO CB C 13 31.683 0.092 . 1 . . 639 . A 554 PRO CB . 36004 1 630 . 1 . 1 75 75 PRO CG C 13 27.805 0.911 . 1 . . 641 . A 554 PRO CG . 36004 1 631 . 1 . 1 75 75 PRO CD C 13 50.539 0.024 . 1 . . 640 . A 554 PRO CD . 36004 1 632 . 1 . 1 76 76 MET H H 1 8.493 0.002 . 1 . . 656 . A 555 MET H . 36004 1 633 . 1 . 1 76 76 MET HA H 1 3.710 0.008 . 1 . . 651 . A 555 MET HA . 36004 1 634 . 1 . 1 76 76 MET HB2 H 1 2.183 0.008 . 1 . . 652 . A 555 MET HB2 . 36004 1 635 . 1 . 1 76 76 MET HB3 H 1 1.928 0.008 . 1 . . 653 . A 555 MET HB3 . 36004 1 636 . 1 . 1 76 76 MET HG2 H 1 2.518 0.006 . 1 . . 654 . A 555 MET HG2 . 36004 1 637 . 1 . 1 76 76 MET HG3 H 1 2.186 0.008 . 1 . . 655 . A 555 MET HG3 . 36004 1 638 . 1 . 1 76 76 MET CA C 13 59.625 0.032 . 1 . . 648 . A 555 MET CA . 36004 1 639 . 1 . 1 76 76 MET CB C 13 34.395 0.103 . 1 . . 649 . A 555 MET CB . 36004 1 640 . 1 . 1 76 76 MET CG C 13 32.946 0.083 . 1 . . 650 . A 555 MET CG . 36004 1 641 . 1 . 1 76 76 MET N N 15 120.784 0.076 . 1 . . 657 . A 555 MET N . 36004 1 642 . 1 . 1 77 77 ASN H H 1 8.553 0.002 . 1 . . 663 . A 556 ASN H . 36004 1 643 . 1 . 1 77 77 ASN HA H 1 4.406 0.005 . 1 . . 660 . A 556 ASN HA . 36004 1 644 . 1 . 1 77 77 ASN HB2 H 1 3.063 0.004 . 1 . . 661 . A 556 ASN HB2 . 36004 1 645 . 1 . 1 77 77 ASN HB3 H 1 2.428 0.01 . 1 . . 662 . A 556 ASN HB3 . 36004 1 646 . 1 . 1 77 77 ASN CA C 13 53.284 0.051 . 1 . . 658 . A 556 ASN CA . 36004 1 647 . 1 . 1 77 77 ASN CB C 13 37.310 0.062 . 1 . . 659 . A 556 ASN CB . 36004 1 648 . 1 . 1 77 77 ASN N N 15 115.564 0.078 . 1 . . 664 . A 556 ASN N . 36004 1 649 . 1 . 1 78 78 MET H H 1 7.823 0.002 . 1 . . 671 . A 557 MET H . 36004 1 650 . 1 . 1 78 78 MET HA H 1 4.924 0.004 . 1 . . 668 . A 557 MET HA . 36004 1 651 . 1 . 1 78 78 MET HB2 H 1 1.955 0.009 . 1 . . 669 . A 557 MET HB2 . 36004 1 652 . 1 . 1 78 78 MET HB3 H 1 1.698 0.008 . 1 . . 670 . A 557 MET HB3 . 36004 1 653 . 1 . 1 78 78 MET HG2 H 1 2.261 0.006 . 1 . . 673 . A 557 MET HG2 . 36004 1 654 . 1 . 1 78 78 MET HG3 H 1 2.261 0.006 . 1 . . 774 . A 557 MET HG3 . 36004 1 655 . 1 . 1 78 78 MET CA C 13 56.799 0.021 . 1 . . 665 . A 557 MET CA . 36004 1 656 . 1 . 1 78 78 MET CB C 13 35.050 0.077 . 1 . . 666 . A 557 MET CB . 36004 1 657 . 1 . 1 78 78 MET CG C 13 32.447 0.117 . 1 . . 667 . A 557 MET CG . 36004 1 658 . 1 . 1 78 78 MET N N 15 117.309 0.026 . 1 . . 672 . A 557 MET N . 36004 1 659 . 1 . 1 79 79 GLN H H 1 8.977 0.003 . 1 . . 680 . A 558 GLN H . 36004 1 660 . 1 . 1 79 79 GLN HA H 1 4.811 0.006 . 1 . . 677 . A 558 GLN HA . 36004 1 661 . 1 . 1 79 79 GLN HB2 H 1 2.300 0.011 . 1 . . 682 . A 558 GLN HB2 . 36004 1 662 . 1 . 1 79 79 GLN HB3 H 1 2.300 0.011 . 1 . . 775 . A 558 GLN HB3 . 36004 1 663 . 1 . 1 79 79 GLN HG2 H 1 2.080 0.009 . 1 . . 678 . A 558 GLN HG2 . 36004 1 664 . 1 . 1 79 79 GLN HG3 H 1 1.930 0.009 . 1 . . 679 . A 558 GLN HG3 . 36004 1 665 . 1 . 1 79 79 GLN CA C 13 54.192 0.046 . 1 . . 674 . A 558 GLN CA . 36004 1 666 . 1 . 1 79 79 GLN CB C 13 33.480 0.09 . 1 . . 675 . A 558 GLN CB . 36004 1 667 . 1 . 1 79 79 GLN CG C 13 33.510 0.041 . 1 . . 676 . A 558 GLN CG . 36004 1 668 . 1 . 1 79 79 GLN N N 15 123.818 0.114 . 1 . . 681 . A 558 GLN N . 36004 1 669 . 1 . 1 80 80 LEU H H 1 8.957 0.003 . 1 . . 691 . A 559 LEU H . 36004 1 670 . 1 . 1 80 80 LEU HA H 1 3.755 0.008 . 1 . . 687 . A 559 LEU HA . 36004 1 671 . 1 . 1 80 80 LEU HB2 H 1 1.640 0.007 . 1 . . 688 . A 559 LEU HB2 . 36004 1 672 . 1 . 1 80 80 LEU HB3 H 1 1.312 0.007 . 1 . . 689 . A 559 LEU HB3 . 36004 1 673 . 1 . 1 80 80 LEU HG H 1 1.135 0.009 . 1 . . 690 . A 559 LEU HG . 36004 1 674 . 1 . 1 80 80 LEU CA C 13 55.901 0.066 . 1 . . 683 . A 559 LEU CA . 36004 1 675 . 1 . 1 80 80 LEU CB C 13 42.123 0.072 . 1 . . 684 . A 559 LEU CB . 36004 1 676 . 1 . 1 80 80 LEU CD1 C 13 25.669 0.126 . 1 . . 685 . A 559 LEU CD1 . 36004 1 677 . 1 . 1 80 80 LEU CD2 C 13 22.754 0.044 . 1 . . 686 . A 559 LEU CD2 . 36004 1 678 . 1 . 1 80 80 LEU N N 15 127.091 0.131 . 1 . . 694 . A 559 LEU N . 36004 1 679 . 1 . 1 81 81 LEU H H 1 8.988 0.003 . 1 . . 702 . A 560 LEU H . 36004 1 680 . 1 . 1 81 81 LEU HA H 1 4.447 0.007 . 1 . . 700 . A 560 LEU HA . 36004 1 681 . 1 . 1 81 81 LEU HB2 H 1 1.456 0.011 . 1 . . 706 . A 560 LEU HB2 . 36004 1 682 . 1 . 1 81 81 LEU HB3 H 1 1.456 0.011 . 1 . . 776 . A 560 LEU HB3 . 36004 1 683 . 1 . 1 81 81 LEU HG H 1 1.530 0.015 . 1 . . 701 . A 560 LEU HG . 36004 1 684 . 1 . 1 81 81 LEU CA C 13 55.059 0.097 . 1 . . 695 . A 560 LEU CA . 36004 1 685 . 1 . 1 81 81 LEU CB C 13 42.278 0.088 . 1 . . 696 . A 560 LEU CB . 36004 1 686 . 1 . 1 81 81 LEU CG C 13 26.547 0.152 . 1 . . 699 . A 560 LEU CG . 36004 1 687 . 1 . 1 81 81 LEU CD1 C 13 25.434 0.15 . 1 . . 697 . A 560 LEU CD1 . 36004 1 688 . 1 . 1 81 81 LEU CD2 C 13 23.076 0.762 . 1 . . 698 . A 560 LEU CD2 . 36004 1 689 . 1 . 1 81 81 LEU N N 15 128.146 0.056 . 1 . . 705 . A 560 LEU N . 36004 1 690 . 1 . 1 82 82 GLY H H 1 7.650 0.002 . 1 . . 711 . A 561 GLY H . 36004 1 691 . 1 . 1 82 82 GLY HA3 H 1 4.177 0.005 . 1 . . 709 . A 561 GLY HA3 . 36004 1 692 . 1 . 1 82 82 GLY CA C 13 44.512 0.06 . 1 . . 708 . A 561 GLY CA . 36004 1 693 . 1 . 1 82 82 GLY N N 15 107.556 0.175 . 1 . . 712 . A 561 GLY N . 36004 1 694 . 1 . 1 83 83 ASP H H 1 8.479 0.004 . 1 . . 718 . A 562 ASP H . 36004 1 695 . 1 . 1 83 83 ASP HA H 1 4.625 0.005 . 1 . . 715 . A 562 ASP HA . 36004 1 696 . 1 . 1 83 83 ASP HB2 H 1 2.768 0.011 . 1 . . 716 . A 562 ASP HB2 . 36004 1 697 . 1 . 1 83 83 ASP HB3 H 1 2.540 0.008 . 1 . . 717 . A 562 ASP HB3 . 36004 1 698 . 1 . 1 83 83 ASP CA C 13 54.718 0.134 . 1 . . 713 . A 562 ASP CA . 36004 1 699 . 1 . 1 83 83 ASP CB C 13 41.189 0.092 . 1 . . 714 . A 562 ASP CB . 36004 1 700 . 1 . 1 83 83 ASP N N 15 121.647 0.048 . 1 . . 719 . A 562 ASP N . 36004 1 701 . 1 . 1 84 84 ALA H H 1 8.162 0.002 . 1 . . 723 . A 563 ALA H . 36004 1 702 . 1 . 1 84 84 ALA HA H 1 4.290 0.008 . 1 . . 722 . A 563 ALA HA . 36004 1 703 . 1 . 1 84 84 ALA CA C 13 52.414 0.033 . 1 . . 720 . A 563 ALA CA . 36004 1 704 . 1 . 1 84 84 ALA CB C 13 19.071 0.043 . 1 . . 721 . A 563 ALA CB . 36004 1 705 . 1 . 1 84 84 ALA N N 15 124.120 0.079 . 1 . . 725 . A 563 ALA N . 36004 1 706 . 1 . 1 85 85 GLN H H 1 7.970 0.003 . 1 . . 731 . A 564 GLN H . 36004 1 707 . 1 . 1 85 85 GLN HA H 1 4.128 0.007 . 1 . . 728 . A 564 GLN HA . 36004 1 708 . 1 . 1 85 85 GLN HB2 H 1 2.095 0.007 . 1 . . 729 . A 564 GLN HB2 . 36004 1 709 . 1 . 1 85 85 GLN HB3 H 1 1.895 0.008 . 1 . . 730 . A 564 GLN HB3 . 36004 1 710 . 1 . 1 85 85 GLN HG2 H 1 2.257 0.01 . 1 . . 733 . A 564 GLN HG2 . 36004 1 711 . 1 . 1 85 85 GLN HG3 H 1 2.257 0.01 . 1 . . 777 . A 564 GLN HG3 . 36004 1 712 . 1 . 1 85 85 GLN CA C 13 57.195 0.056 . 1 . . 726 . A 564 GLN CA . 36004 1 713 . 1 . 1 85 85 GLN CB C 13 30.434 0.147 . 1 . . 727 . A 564 GLN CB . 36004 1 714 . 1 . 1 85 85 GLN N N 15 124.936 0.107 . 1 . . 732 . A 564 GLN N . 36004 1 stop_ save_