################################### # 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 30687 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D TROSY-[1H-15N] HSQC' . . . 30687 1 2 '3D TROSY-HNCO' . . . 30687 1 3 '3D TROSY-HN(CA)CO' . . . 30687 1 4 '3D TROSY-HNCACB' . . . 30687 1 5 '3D TROSY-C(CO)NH' . . . 30687 1 6 '3D TROSY-HBHA(CBCA)NH' . . . 30687 1 7 '3D TROSY-H(CCO)NH' . . . 30687 1 8 '2D NOESY' . . . 30687 1 9 '3D NOESY' . . . 30687 1 10 '2D IPAP' . . . 30687 1 11 '2D 1H-15N HSQC' . . . 30687 1 12 '3D NOESY' . . . 30687 1 13 '2D IPAP' . . . 30687 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 'TROSY offset' 'amide nitrogens' 15 0.48 0.02 30687 1 'TROSY offset' 'amide protons' 1 -0.056 0.006 30687 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 . 2 . 2 2 2 SER HA H 1 4.264 0.02 1.000 1 . . . . B -1 SER HA . 30687 1 2 . 2 . 2 2 2 SER HB2 H 1 3.783 0.02 0.773 2 . . . . B -1 SER HB2 . 30687 1 3 . 2 . 2 2 2 SER HB3 H 1 3.773 0.02 0.816 2 . . . . B -1 SER HB3 . 30687 1 4 . 2 . 2 2 2 SER C C 13 174.600 0.20 1.000 1 . . . . B -1 SER C . 30687 1 5 . 2 . 2 2 2 SER CA C 13 62.200 0.20 1.000 1 . . . . B -1 SER CA . 30687 1 6 . 2 . 2 2 2 SER CB C 13 63.920 0.20 0.860 1 . . . . B -1 SER CB . 30687 1 7 . 2 . 2 3 3 LYS H H 1 8.506 0.02 1.000 1 . . . . B 85 LYS H . 30687 1 8 . 2 . 2 3 3 LYS HA H 1 4.400 0.02 1.000 1 . . . . B 85 LYS HA . 30687 1 9 . 2 . 2 3 3 LYS HB2 H 1 1.736 0.02 0.460 2 . . . . B 85 LYS HB2 . 30687 1 10 . 2 . 2 3 3 LYS HB3 H 1 1.732 0.02 0.481 2 . . . . B 85 LYS HB3 . 30687 1 11 . 2 . 2 3 3 LYS HG2 H 1 1.401 0.02 0.401 2 . . . . B 85 LYS HG2 . 30687 1 12 . 2 . 2 3 3 LYS HG3 H 1 1.401 0.02 0.534 2 . . . . B 85 LYS HG3 . 30687 1 13 . 2 . 2 3 3 LYS C C 13 177.200 0.20 1.000 1 . . . . B 85 LYS C . 30687 1 14 . 2 . 2 3 3 LYS CA C 13 56.640 0.20 1.000 1 . . . . B 85 LYS CA . 30687 1 15 . 2 . 2 3 3 LYS CB C 13 33.690 0.20 1.000 1 . . . . B 85 LYS CB . 30687 1 16 . 2 . 2 3 3 LYS CG C 13 25.010 0.20 1.000 1 . . . . B 85 LYS CG . 30687 1 17 . 2 . 2 3 3 LYS CD C 13 29.190 0.20 1.000 1 . . . . B 85 LYS CD . 30687 1 18 . 2 . 2 3 3 LYS N N 15 124.200 0.20 1.000 1 . . . . B 85 LYS N . 30687 1 19 . 2 . 2 4 4 THR H H 1 8.410 0.02 1.000 1 . . . . B 86 THR H . 30687 1 20 . 2 . 2 4 4 THR HA H 1 4.302 0.02 0.645 1 . . . . B 86 THR HA . 30687 1 21 . 2 . 2 4 4 THR HG21 H 1 1.162 0.02 1.000 1 . . . . B 86 THR HG21 . 30687 1 22 . 2 . 2 4 4 THR HG22 H 1 1.162 0.02 1.000 1 . . . . B 86 THR HG22 . 30687 1 23 . 2 . 2 4 4 THR HG23 H 1 1.162 0.02 1.000 1 . . . . B 86 THR HG23 . 30687 1 24 . 2 . 2 4 4 THR C C 13 175.400 0.20 1.000 1 . . . . B 86 THR C . 30687 1 25 . 2 . 2 4 4 THR CA C 13 61.700 0.20 0.540 1 . . . . B 86 THR CA . 30687 1 26 . 2 . 2 4 4 THR CB C 13 70.610 0.20 1.000 1 . . . . B 86 THR CB . 30687 1 27 . 2 . 2 4 4 THR CG2 C 13 22.040 0.20 1.000 1 . . . . B 86 THR CG2 . 30687 1 28 . 2 . 2 4 4 THR N N 15 115.700 0.20 1.000 1 . . . . B 86 THR N . 30687 1 29 . 2 . 2 5 5 ILE H H 1 8.402 0.02 1.000 1 . . . . B 87 ILE H . 30687 1 30 . 2 . 2 5 5 ILE HA H 1 4.044 0.02 1.000 1 . . . . B 87 ILE HA . 30687 1 31 . 2 . 2 5 5 ILE HB H 1 1.775 0.02 0.696 1 . . . . B 87 ILE HB . 30687 1 32 . 2 . 2 5 5 ILE HG12 H 1 1.423 0.02 0.593 2 . . . . B 87 ILE HG12 . 30687 1 33 . 2 . 2 5 5 ILE HG13 H 1 1.100 0.02 0.406 2 . . . . B 87 ILE HG13 . 30687 1 34 . 2 . 2 5 5 ILE HG21 H 1 0.823 0.02 0.543 1 . . . . B 87 ILE HG21 . 30687 1 35 . 2 . 2 5 5 ILE HG22 H 1 0.823 0.02 0.543 1 . . . . B 87 ILE HG22 . 30687 1 36 . 2 . 2 5 5 ILE HG23 H 1 0.823 0.02 0.543 1 . . . . B 87 ILE HG23 . 30687 1 37 . 2 . 2 5 5 ILE C C 13 177.400 0.20 1.000 1 . . . . B 87 ILE C . 30687 1 38 . 2 . 2 5 5 ILE CA C 13 61.490 0.20 1.000 1 . . . . B 87 ILE CA . 30687 1 39 . 2 . 2 5 5 ILE CB C 13 38.680 0.20 1.000 1 . . . . B 87 ILE CB . 30687 1 40 . 2 . 2 5 5 ILE CG1 C 13 27.520 0.20 1.000 1 . . . . B 87 ILE CG1 . 30687 1 41 . 2 . 2 5 5 ILE CG2 C 13 17.560 0.20 1.000 1 . . . . B 87 ILE CG2 . 30687 1 42 . 2 . 2 5 5 ILE N N 15 122.600 0.20 1.000 1 . . . . B 87 ILE N . 30687 1 43 . 2 . 2 6 6 GLN H H 1 8.359 0.02 1.000 1 . . . . B 88 GLN H . 30687 1 44 . 2 . 2 6 6 GLN HA H 1 4.234 0.02 1.000 1 . . . . B 88 GLN HA . 30687 1 45 . 2 . 2 6 6 GLN HB2 H 1 1.948 0.02 0.509 2 . . . . B 88 GLN HB2 . 30687 1 46 . 2 . 2 6 6 GLN HB3 H 1 1.936 0.02 0.468 2 . . . . B 88 GLN HB3 . 30687 1 47 . 2 . 2 6 6 GLN HG2 H 1 2.261 0.02 0.469 2 . . . . B 88 GLN HG2 . 30687 1 48 . 2 . 2 6 6 GLN HG3 H 1 2.261 0.02 0.481 2 . . . . B 88 GLN HG3 . 30687 1 49 . 2 . 2 6 6 GLN C C 13 176.400 0.20 0.999 1 . . . . B 88 GLN C . 30687 1 50 . 2 . 2 6 6 GLN CA C 13 56.440 0.20 1.000 1 . . . . B 88 GLN CA . 30687 1 51 . 2 . 2 6 6 GLN CB C 13 29.440 0.20 1.000 1 . . . . B 88 GLN CB . 30687 1 52 . 2 . 2 6 6 GLN CG C 13 33.900 0.20 1.000 1 . . . . B 88 GLN CG . 30687 1 53 . 2 . 2 6 6 GLN N N 15 124.400 0.20 1.000 1 . . . . B 88 GLN N . 30687 1 54 . 2 . 2 7 7 GLU H H 1 8.217 0.02 0.999 1 . . . . B 89 GLU H . 30687 1 55 . 2 . 2 7 7 GLU HA H 1 4.146 0.02 0.676 1 . . . . B 89 GLU HA . 30687 1 56 . 2 . 2 7 7 GLU HB2 H 1 1.976 0.02 0.432 2 . . . . B 89 GLU HB2 . 30687 1 57 . 2 . 2 7 7 GLU HB3 H 1 1.856 0.02 0.315 2 . . . . B 89 GLU HB3 . 30687 1 58 . 2 . 2 7 7 GLU HG2 H 1 2.235 0.02 0.385 2 . . . . B 89 GLU HG2 . 30687 1 59 . 2 . 2 7 7 GLU HG3 H 1 2.235 0.02 0.323 2 . . . . B 89 GLU HG3 . 30687 1 60 . 2 . 2 7 7 GLU C C 13 176.900 0.20 0.552 1 . . . . B 89 GLU C . 30687 1 61 . 2 . 2 7 7 GLU CA C 13 57.180 0.20 1.000 1 . . . . B 89 GLU CA . 30687 1 62 . 2 . 2 7 7 GLU CB C 13 30.000 0.20 0.857 1 . . . . B 89 GLU CB . 30687 1 63 . 2 . 2 7 7 GLU CG C 13 36.300 0.20 0.861 1 . . . . B 89 GLU CG . 30687 1 64 . 2 . 2 7 7 GLU N N 15 122.000 0.20 0.999 1 . . . . B 89 GLU N . 30687 1 65 . 2 . 2 8 8 LYS H H 1 8.054 0.02 0.552 1 . . . . B 90 LYS H . 30687 1 66 . 2 . 2 8 8 LYS HA H 1 4.200 0.02 0.615 1 . . . . B 90 LYS HA . 30687 1 67 . 2 . 2 8 8 LYS HB2 H 1 1.782 0.02 0.395 2 . . . . B 90 LYS HB2 . 30687 1 68 . 2 . 2 8 8 LYS HB3 H 1 1.687 0.02 0.408 2 . . . . B 90 LYS HB3 . 30687 1 69 . 2 . 2 8 8 LYS C C 13 176.500 0.20 0.404 1 . . . . B 90 LYS C . 30687 1 70 . 2 . 2 8 8 LYS CA C 13 56.790 0.20 0.498 1 . . . . B 90 LYS CA . 30687 1 71 . 2 . 2 8 8 LYS CB C 13 33.030 0.20 0.499 1 . . . . B 90 LYS CB . 30687 1 72 . 2 . 2 8 8 LYS CD C 13 29.510 0.20 0.755 1 . . . . B 90 LYS CD . 30687 1 73 . 2 . 2 8 8 LYS N N 15 122.000 0.20 0.552 1 . . . . B 90 LYS N . 30687 1 74 . 2 . 2 9 9 GLU H H 1 8.289 0.02 0.404 1 . . . . B 91 GLU H . 30687 1 75 . 2 . 2 9 9 GLU HA H 1 4.180 0.02 0.493 1 . . . . B 91 GLU HA . 30687 1 76 . 2 . 2 9 9 GLU C C 13 177.100 0.20 0.373 1 . . . . B 91 GLU C . 30687 1 77 . 2 . 2 9 9 GLU CA C 13 56.640 0.20 0.864 1 . . . . B 91 GLU CA . 30687 1 78 . 2 . 2 9 9 GLU CB C 13 30.260 0.20 0.401 1 . . . . B 91 GLU CB . 30687 1 79 . 2 . 2 9 9 GLU N N 15 122.800 0.20 0.404 1 . . . . B 91 GLU N . 30687 1 80 . 2 . 2 10 10 GLN HA H 1 4.232 0.02 0.454 1 . . . . B 92 GLN HA . 30687 1 81 . 2 . 2 10 10 GLN HB2 H 1 1.944 0.02 0.410 2 . . . . B 92 GLN HB2 . 30687 1 82 . 2 . 2 10 10 GLN HB3 H 1 1.944 0.02 0.447 2 . . . . B 92 GLN HB3 . 30687 1 83 . 2 . 2 10 10 GLN HG2 H 1 2.279 0.02 0.536 2 . . . . B 92 GLN HG2 . 30687 1 84 . 2 . 2 10 10 GLN HG3 H 1 2.279 0.02 0.397 2 . . . . B 92 GLN HG3 . 30687 1 85 . 2 . 2 10 10 GLN C C 13 175.900 0.20 0.529 1 . . . . B 92 GLN C . 30687 1 86 . 2 . 2 10 10 GLN CA C 13 55.870 0.20 1.000 1 . . . . B 92 GLN CA . 30687 1 87 . 2 . 2 10 10 GLN CB C 13 29.530 0.20 1.000 1 . . . . B 92 GLN CB . 30687 1 88 . 2 . 2 10 10 GLN CG C 13 33.890 0.20 1.000 1 . . . . B 92 GLN CG . 30687 1 89 . 2 . 2 11 11 GLU H H 1 8.340 0.02 0.529 1 . . . . B 93 GLU H . 30687 1 90 . 2 . 2 11 11 GLU HA H 1 4.173 0.02 0.493 1 . . . . B 93 GLU HA . 30687 1 91 . 2 . 2 11 11 GLU HB2 H 1 1.907 0.02 0.326 2 . . . . B 93 GLU HB2 . 30687 1 92 . 2 . 2 11 11 GLU HB3 H 1 1.895 0.02 0.331 2 . . . . B 93 GLU HB3 . 30687 1 93 . 2 . 2 11 11 GLU HG2 H 1 2.195 0.02 0.471 2 . . . . B 93 GLU HG2 . 30687 1 94 . 2 . 2 11 11 GLU HG3 H 1 2.195 0.02 0.401 2 . . . . B 93 GLU HG3 . 30687 1 95 . 2 . 2 11 11 GLU C C 13 176.200 0.20 0.596 1 . . . . B 93 GLU C . 30687 1 96 . 2 . 2 11 11 GLU CA C 13 56.680 0.20 1.000 1 . . . . B 93 GLU CA . 30687 1 97 . 2 . 2 11 11 GLU CB C 13 30.410 0.20 0.631 1 . . . . B 93 GLU CB . 30687 1 98 . 2 . 2 11 11 GLU CG C 13 36.430 0.20 1.000 1 . . . . B 93 GLU CG . 30687 1 99 . 2 . 2 11 11 GLU N N 15 122.100 0.20 0.529 1 . . . . B 93 GLU N . 30687 1 100 . 2 . 2 12 12 LEU H H 1 8.196 0.02 0.596 1 . . . . B 94 LEU H . 30687 1 101 . 2 . 2 12 12 LEU HA H 1 4.212 0.02 1.000 1 . . . . B 94 LEU HA . 30687 1 102 . 2 . 2 12 12 LEU HB2 H 1 1.571 0.02 0.545 2 . . . . B 94 LEU HB2 . 30687 1 103 . 2 . 2 12 12 LEU HB3 H 1 1.482 0.02 0.512 2 . . . . B 94 LEU HB3 . 30687 1 104 . 2 . 2 12 12 LEU HD11 H 1 0.808 0.02 0.637 2 . . . . B 94 LEU HD11 . 30687 1 105 . 2 . 2 12 12 LEU HD12 H 1 0.808 0.02 0.637 2 . . . . B 94 LEU HD12 . 30687 1 106 . 2 . 2 12 12 LEU HD13 H 1 0.808 0.02 0.637 2 . . . . B 94 LEU HD13 . 30687 1 107 . 2 . 2 12 12 LEU HD21 H 1 0.808 0.02 0.632 2 . . . . B 94 LEU HD21 . 30687 1 108 . 2 . 2 12 12 LEU HD22 H 1 0.808 0.02 0.632 2 . . . . B 94 LEU HD22 . 30687 1 109 . 2 . 2 12 12 LEU HD23 H 1 0.808 0.02 0.632 2 . . . . B 94 LEU HD23 . 30687 1 110 . 2 . 2 12 12 LEU C C 13 176.900 0.20 1.000 1 . . . . B 94 LEU C . 30687 1 111 . 2 . 2 12 12 LEU CA C 13 55.150 0.20 1.000 1 . . . . B 94 LEU CA . 30687 1 112 . 2 . 2 12 12 LEU CB C 13 42.410 0.20 1.000 1 . . . . B 94 LEU CB . 30687 1 113 . 2 . 2 12 12 LEU CG C 13 27.050 0.20 1.000 1 . . . . B 94 LEU CG . 30687 1 114 . 2 . 2 12 12 LEU CD1 C 13 25.030 0.20 0.733 2 . . . . B 94 LEU CD1 . 30687 1 115 . 2 . 2 12 12 LEU CD2 C 13 23.750 0.20 0.730 2 . . . . B 94 LEU CD2 . 30687 1 116 . 2 . 2 12 12 LEU N N 15 124.500 0.20 0.596 1 . . . . B 94 LEU N . 30687 1 117 . 2 . 2 13 13 LYS H H 1 8.140 0.02 1.000 1 . . . . B 95 LYS H . 30687 1 118 . 2 . 2 13 13 LYS HA H 1 4.151 0.02 1.000 1 . . . . B 95 LYS HA . 30687 1 119 . 2 . 2 13 13 LYS HB2 H 1 1.737 0.02 0.461 2 . . . . B 95 LYS HB2 . 30687 1 120 . 2 . 2 13 13 LYS HB3 H 1 1.634 0.02 0.478 2 . . . . B 95 LYS HB3 . 30687 1 121 . 2 . 2 13 13 LYS HG2 H 1 1.414 0.02 0.441 2 . . . . B 95 LYS HG2 . 30687 1 122 . 2 . 2 13 13 LYS HG3 H 1 1.414 0.02 0.500 2 . . . . B 95 LYS HG3 . 30687 1 123 . 2 . 2 13 13 LYS C C 13 174.700 0.20 1.000 1 . . . . B 95 LYS C . 30687 1 124 . 2 . 2 13 13 LYS CA C 13 55.560 0.20 1.000 1 . . . . B 95 LYS CA . 30687 1 125 . 2 . 2 13 13 LYS CB C 13 31.170 0.20 1.000 1 . . . . B 95 LYS CB . 30687 1 126 . 2 . 2 13 13 LYS CG C 13 25.170 0.20 1.000 1 . . . . B 95 LYS CG . 30687 1 127 . 2 . 2 13 13 LYS N N 15 122.800 0.20 1.000 1 . . . . B 95 LYS N . 30687 1 128 . 2 . 2 14 14 ASN H H 1 8.186 0.02 1.000 1 . . . . B 96 ASN H . 30687 1 129 . 2 . 2 14 14 ASN HA H 1 4.574 0.02 0.431 1 . . . . B 96 ASN HA . 30687 1 130 . 2 . 2 14 14 ASN HB2 H 1 2.660 0.02 0.612 2 . . . . B 96 ASN HB2 . 30687 1 131 . 2 . 2 14 14 ASN HB3 H 1 2.580 0.02 0.742 2 . . . . B 96 ASN HB3 . 30687 1 132 . 2 . 2 14 14 ASN C C 13 175.200 0.20 1.000 1 . . . . B 96 ASN C . 30687 1 133 . 2 . 2 14 14 ASN CA C 13 56.160 0.20 1.000 1 . . . . B 96 ASN CA . 30687 1 134 . 2 . 2 14 14 ASN CB C 13 38.230 0.20 1.000 1 . . . . B 96 ASN CB . 30687 1 135 . 2 . 2 14 14 ASN N N 15 119.100 0.20 1.000 1 . . . . B 96 ASN N . 30687 1 136 . 2 . 2 15 15 LEU H H 1 8.037 0.02 0.596 1 . . . . B 97 LEU H . 30687 1 137 . 2 . 2 15 15 LEU HB2 H 1 1.664 0.02 0.545 2 . . . . B 97 LEU HB2 . 30687 1 138 . 2 . 2 15 15 LEU HB3 H 1 1.578 0.02 0.512 2 . . . . B 97 LEU HB3 . 30687 1 139 . 2 . 2 15 15 LEU HG H 1 1.517 0.02 1.000 1 . . . . B 97 LEU HG . 30687 1 140 . 2 . 2 15 15 LEU C C 13 175.800 0.20 1.000 1 . . . . B 97 LEU C . 30687 1 141 . 2 . 2 15 15 LEU CA C 13 56.460 0.20 1.000 1 . . . . B 97 LEU CA . 30687 1 142 . 2 . 2 15 15 LEU N N 15 121.400 0.20 0.596 1 . . . . B 97 LEU N . 30687 1 143 . 2 . 2 16 16 LYS H H 1 8.203 0.02 1.000 1 . . . . B 98 LYS H . 30687 1 144 . 2 . 2 16 16 LYS HA H 1 4.001 0.02 1.000 1 . . . . B 98 LYS HA . 30687 1 145 . 2 . 2 16 16 LYS HB2 H 1 1.921 0.02 0.462 2 . . . . B 98 LYS HB2 . 30687 1 146 . 2 . 2 16 16 LYS HB3 H 1 1.865 0.02 0.478 2 . . . . B 98 LYS HB3 . 30687 1 147 . 2 . 2 16 16 LYS C C 13 179.800 0.20 1.000 1 . . . . B 98 LYS C . 30687 1 148 . 2 . 2 16 16 LYS CA C 13 59.560 0.20 1.000 1 . . . . B 98 LYS CA . 30687 1 149 . 2 . 2 16 16 LYS CB C 13 32.450 0.20 1.000 1 . . . . B 98 LYS CB . 30687 1 150 . 2 . 2 16 16 LYS CG C 13 25.390 0.20 1.000 1 . . . . B 98 LYS CG . 30687 1 151 . 2 . 2 16 16 LYS CD C 13 29.640 0.20 1.000 1 . . . . B 98 LYS CD . 30687 1 152 . 2 . 2 16 16 LYS N N 15 121.900 0.20 1.000 1 . . . . B 98 LYS N . 30687 1 153 . 2 . 2 17 17 ASP H H 1 8.719 0.02 1.000 1 . . . . B 99 ASP H . 30687 1 154 . 2 . 2 17 17 ASP HA H 1 4.461 0.02 1.000 1 . . . . B 99 ASP HA . 30687 1 155 . 2 . 2 17 17 ASP HB2 H 1 2.804 0.02 0.898 2 . . . . B 99 ASP HB2 . 30687 1 156 . 2 . 2 17 17 ASP HB3 H 1 2.710 0.02 0.461 2 . . . . B 99 ASP HB3 . 30687 1 157 . 2 . 2 17 17 ASP C C 13 177.900 0.20 1.000 1 . . . . B 99 ASP C . 30687 1 158 . 2 . 2 17 17 ASP CA C 13 56.460 0.20 0.787 1 . . . . B 99 ASP CA . 30687 1 159 . 2 . 2 17 17 ASP CB C 13 40.650 0.20 1.000 1 . . . . B 99 ASP CB . 30687 1 160 . 2 . 2 17 17 ASP N N 15 122.000 0.20 1.000 1 . . . . B 99 ASP N . 30687 1 161 . 2 . 2 18 18 ASN H H 1 8.177 0.02 1.000 1 . . . . B 100 ASN H . 30687 1 162 . 2 . 2 18 18 ASN HA H 1 4.509 0.02 0.431 1 . . . . B 100 ASN HA . 30687 1 163 . 2 . 2 18 18 ASN HB2 H 1 2.804 0.02 0.612 2 . . . . B 100 ASN HB2 . 30687 1 164 . 2 . 2 18 18 ASN HB3 H 1 2.772 0.02 0.742 2 . . . . B 100 ASN HB3 . 30687 1 165 . 2 . 2 18 18 ASN C C 13 179.100 0.20 1.000 1 . . . . B 100 ASN C . 30687 1 166 . 2 . 2 18 18 ASN CA C 13 57.960 0.20 0.611 1 . . . . B 100 ASN CA . 30687 1 167 . 2 . 2 18 18 ASN CB C 13 37.790 0.20 0.892 1 . . . . B 100 ASN CB . 30687 1 168 . 2 . 2 18 18 ASN N N 15 118.400 0.20 1.000 1 . . . . B 100 ASN N . 30687 1 169 . 2 . 2 19 19 VAL H H 1 8.071 0.02 1.000 1 . . . . B 101 VAL H . 30687 1 170 . 2 . 2 19 19 VAL HA H 1 4.047 0.02 1.000 1 . . . . B 101 VAL HA . 30687 1 171 . 2 . 2 19 19 VAL HB H 1 1.770 0.02 1.000 1 . . . . B 101 VAL HB . 30687 1 172 . 2 . 2 19 19 VAL HG11 H 1 0.998 0.02 0.691 2 . . . . B 101 VAL HG11 . 30687 1 173 . 2 . 2 19 19 VAL HG12 H 1 0.998 0.02 0.691 2 . . . . B 101 VAL HG12 . 30687 1 174 . 2 . 2 19 19 VAL HG13 H 1 0.998 0.02 0.691 2 . . . . B 101 VAL HG13 . 30687 1 175 . 2 . 2 19 19 VAL HG21 H 1 0.998 0.02 0.652 2 . . . . B 101 VAL HG21 . 30687 1 176 . 2 . 2 19 19 VAL HG22 H 1 0.998 0.02 0.652 2 . . . . B 101 VAL HG22 . 30687 1 177 . 2 . 2 19 19 VAL HG23 H 1 0.998 0.02 0.652 2 . . . . B 101 VAL HG23 . 30687 1 178 . 2 . 2 19 19 VAL C C 13 178.700 0.20 1.000 1 . . . . B 101 VAL C . 30687 1 179 . 2 . 2 19 19 VAL CA C 13 66.080 0.20 1.000 1 . . . . B 101 VAL CA . 30687 1 180 . 2 . 2 19 19 VAL CB C 13 32.450 0.20 1.000 1 . . . . B 101 VAL CB . 30687 1 181 . 2 . 2 19 19 VAL N N 15 120.700 0.20 1.000 1 . . . . B 101 VAL N . 30687 1 182 . 2 . 2 20 20 GLU H H 1 7.911 0.02 1.000 1 . . . . B 102 GLU H . 30687 1 183 . 2 . 2 20 20 GLU HA H 1 4.177 0.02 1.000 1 . . . . B 102 GLU HA . 30687 1 184 . 2 . 2 20 20 GLU HB2 H 1 2.181 0.02 0.658 2 . . . . B 102 GLU HB2 . 30687 1 185 . 2 . 2 20 20 GLU HB3 H 1 1.990 0.02 0.471 2 . . . . B 102 GLU HB3 . 30687 1 186 . 2 . 2 20 20 GLU HG2 H 1 2.239 0.02 0.580 2 . . . . B 102 GLU HG2 . 30687 1 187 . 2 . 2 20 20 GLU HG3 H 1 2.239 0.02 0.567 2 . . . . B 102 GLU HG3 . 30687 1 188 . 2 . 2 20 20 GLU C C 13 177.700 0.20 1.000 1 . . . . B 102 GLU C . 30687 1 189 . 2 . 2 20 20 GLU CA C 13 58.160 0.20 1.000 1 . . . . B 102 GLU CA . 30687 1 190 . 2 . 2 20 20 GLU CB C 13 29.700 0.20 1.000 1 . . . . B 102 GLU CB . 30687 1 191 . 2 . 2 20 20 GLU CG C 13 36.270 0.20 0.842 1 . . . . B 102 GLU CG . 30687 1 192 . 2 . 2 20 20 GLU N N 15 122.700 0.20 1.000 1 . . . . B 102 GLU N . 30687 1 193 . 2 . 2 21 21 LEU H H 1 8.027 0.02 1.000 1 . . . . B 103 LEU H . 30687 1 194 . 2 . 2 21 21 LEU HA H 1 4.092 0.02 1.000 1 . . . . B 103 LEU HA . 30687 1 195 . 2 . 2 21 21 LEU HB2 H 1 1.519 0.02 0.444 2 . . . . B 103 LEU HB2 . 30687 1 196 . 2 . 2 21 21 LEU HB3 H 1 1.499 0.02 0.486 2 . . . . B 103 LEU HB3 . 30687 1 197 . 2 . 2 21 21 LEU HD11 H 1 0.812 0.02 0.637 2 . . . . B 103 LEU HD11 . 30687 1 198 . 2 . 2 21 21 LEU HD12 H 1 0.812 0.02 0.637 2 . . . . B 103 LEU HD12 . 30687 1 199 . 2 . 2 21 21 LEU HD13 H 1 0.812 0.02 0.637 2 . . . . B 103 LEU HD13 . 30687 1 200 . 2 . 2 21 21 LEU HD21 H 1 0.812 0.02 0.632 2 . . . . B 103 LEU HD21 . 30687 1 201 . 2 . 2 21 21 LEU HD22 H 1 0.812 0.02 0.632 2 . . . . B 103 LEU HD22 . 30687 1 202 . 2 . 2 21 21 LEU HD23 H 1 0.812 0.02 0.632 2 . . . . B 103 LEU HD23 . 30687 1 203 . 2 . 2 21 21 LEU C C 13 176.900 0.20 1.000 1 . . . . B 103 LEU C . 30687 1 204 . 2 . 2 21 21 LEU CA C 13 55.090 0.20 1.000 1 . . . . B 103 LEU CA . 30687 1 205 . 2 . 2 21 21 LEU CB C 13 42.380 0.20 1.000 1 . . . . B 103 LEU CB . 30687 1 206 . 2 . 2 21 21 LEU CG C 13 26.940 0.20 1.000 1 . . . . B 103 LEU CG . 30687 1 207 . 2 . 2 21 21 LEU CD1 C 13 25.060 0.20 0.733 2 . . . . B 103 LEU CD1 . 30687 1 208 . 2 . 2 21 21 LEU CD2 C 13 23.920 0.20 0.730 2 . . . . B 103 LEU CD2 . 30687 1 209 . 2 . 2 21 21 LEU N N 15 121.400 0.20 1.000 1 . . . . B 103 LEU N . 30687 1 210 . 2 . 2 22 22 GLU H H 1 8.528 0.02 1.000 1 . . . . B 104 GLU H . 30687 1 211 . 2 . 2 22 22 GLU HA H 1 4.227 0.02 1.000 1 . . . . B 104 GLU HA . 30687 1 212 . 2 . 2 22 22 GLU HB2 H 1 2.001 0.02 0.479 2 . . . . B 104 GLU HB2 . 30687 1 213 . 2 . 2 22 22 GLU HB3 H 1 1.903 0.02 0.244 2 . . . . B 104 GLU HB3 . 30687 1 214 . 2 . 2 22 22 GLU HG2 H 1 2.214 0.02 0.344 2 . . . . B 104 GLU HG2 . 30687 1 215 . 2 . 2 22 22 GLU HG3 H 1 2.214 0.02 0.354 2 . . . . B 104 GLU HG3 . 30687 1 216 . 2 . 2 22 22 GLU C C 13 180.500 0.20 0.708 1 . . . . B 104 GLU C . 30687 1 217 . 2 . 2 22 22 GLU CA C 13 56.120 0.20 1.000 1 . . . . B 104 GLU CA . 30687 1 218 . 2 . 2 22 22 GLU CB C 13 29.870 0.20 1.000 1 . . . . B 104 GLU CB . 30687 1 219 . 2 . 2 22 22 GLU CG C 13 36.230 0.20 0.842 1 . . . . B 104 GLU CG . 30687 1 220 . 2 . 2 22 22 GLU N N 15 123.000 0.20 1.000 1 . . . . B 104 GLU N . 30687 1 221 . 2 . 2 23 23 ARG H H 1 8.445 0.02 0.708 1 . . . . B 105 ARG H . 30687 1 222 . 2 . 2 23 23 ARG HA H 1 4.302 0.02 0.480 1 . . . . B 105 ARG HA . 30687 1 223 . 2 . 2 23 23 ARG HB2 H 1 1.816 0.02 0.282 2 . . . . B 105 ARG HB2 . 30687 1 224 . 2 . 2 23 23 ARG HB3 H 1 1.770 0.02 0.389 2 . . . . B 105 ARG HB3 . 30687 1 225 . 2 . 2 23 23 ARG C C 13 178.700 0.20 0.492 1 . . . . B 105 ARG C . 30687 1 226 . 2 . 2 23 23 ARG CA C 13 59.060 0.20 1.000 1 . . . . B 105 ARG CA . 30687 1 227 . 2 . 2 23 23 ARG CB C 13 30.280 0.20 1.000 1 . . . . B 105 ARG CB . 30687 1 228 . 2 . 2 23 23 ARG CG C 13 29.340 0.20 1.000 1 . . . . B 105 ARG CG . 30687 1 229 . 2 . 2 23 23 ARG CD C 13 41.560 0.20 1.000 1 . . . . B 105 ARG CD . 30687 1 230 . 2 . 2 23 23 ARG N N 15 124.200 0.20 0.708 1 . . . . B 105 ARG N . 30687 1 231 . 2 . 2 24 24 LEU H H 1 8.610 0.02 0.492 1 . . . . B 106 LEU H . 30687 1 232 . 2 . 2 24 24 LEU HA H 1 4.140 0.02 1.000 1 . . . . B 106 LEU HA . 30687 1 233 . 2 . 2 24 24 LEU C C 13 178.100 0.20 1.000 1 . . . . B 106 LEU C . 30687 1 234 . 2 . 2 24 24 LEU CA C 13 58.510 0.20 1.000 1 . . . . B 106 LEU CA . 30687 1 235 . 2 . 2 24 24 LEU CB C 13 41.330 0.20 1.000 1 . . . . B 106 LEU CB . 30687 1 236 . 2 . 2 24 24 LEU CD1 C 13 25.630 0.20 1.000 2 . . . . B 106 LEU CD1 . 30687 1 237 . 2 . 2 24 24 LEU CD2 C 13 23.190 0.20 1.000 2 . . . . B 106 LEU CD2 . 30687 1 238 . 2 . 2 24 24 LEU N N 15 120.600 0.20 0.492 1 . . . . B 106 LEU N . 30687 1 239 . 2 . 2 25 25 LYS H H 1 8.066 0.02 1.000 1 . . . . B 107 LYS H . 30687 1 240 . 2 . 2 25 25 LYS HA H 1 4.085 0.02 1.000 1 . . . . B 107 LYS HA . 30687 1 241 . 2 . 2 25 25 LYS C C 13 176.800 0.20 1.000 1 . . . . B 107 LYS C . 30687 1 242 . 2 . 2 25 25 LYS CA C 13 57.030 0.20 1.000 1 . . . . B 107 LYS CA . 30687 1 243 . 2 . 2 25 25 LYS CB C 13 32.350 0.20 1.000 1 . . . . B 107 LYS CB . 30687 1 244 . 2 . 2 25 25 LYS CG C 13 25.050 0.20 1.000 1 . . . . B 107 LYS CG . 30687 1 245 . 2 . 2 25 25 LYS CD C 13 28.460 0.20 1.000 1 . . . . B 107 LYS CD . 30687 1 246 . 2 . 2 25 25 LYS N N 15 120.900 0.20 1.000 1 . . . . B 107 LYS N . 30687 1 247 . 2 . 2 26 26 ASN H H 1 8.246 0.02 1.000 1 . . . . B 108 ASN H . 30687 1 248 . 2 . 2 26 26 ASN HA H 1 4.496 0.02 1.000 1 . . . . B 108 ASN HA . 30687 1 249 . 2 . 2 26 26 ASN HB2 H 1 2.758 0.02 0.751 2 . . . . B 108 ASN HB2 . 30687 1 250 . 2 . 2 26 26 ASN HB3 H 1 2.737 0.02 0.692 2 . . . . B 108 ASN HB3 . 30687 1 251 . 2 . 2 26 26 ASN C C 13 177.100 0.20 1.000 1 . . . . B 108 ASN C . 30687 1 252 . 2 . 2 26 26 ASN CA C 13 55.430 0.20 1.000 1 . . . . B 108 ASN CA . 30687 1 253 . 2 . 2 26 26 ASN CB C 13 41.030 0.20 0.560 1 . . . . B 108 ASN CB . 30687 1 254 . 2 . 2 26 26 ASN N N 15 121.100 0.20 1.000 1 . . . . B 108 ASN N . 30687 1 255 . 2 . 2 27 27 GLU H H 1 8.480 0.02 1.000 1 . . . . B 109 GLU H . 30687 1 256 . 2 . 2 27 27 GLU HA H 1 4.148 0.02 0.731 1 . . . . B 109 GLU HA . 30687 1 257 . 2 . 2 27 27 GLU HB2 H 1 2.006 0.02 0.364 2 . . . . B 109 GLU HB2 . 30687 1 258 . 2 . 2 27 27 GLU HB3 H 1 1.898 0.02 0.318 2 . . . . B 109 GLU HB3 . 30687 1 259 . 2 . 2 27 27 GLU C C 13 178.100 0.20 0.658 1 . . . . B 109 GLU C . 30687 1 260 . 2 . 2 27 27 GLU CA C 13 58.230 0.20 0.752 1 . . . . B 109 GLU CA . 30687 1 261 . 2 . 2 27 27 GLU CB C 13 30.190 0.20 0.582 1 . . . . B 109 GLU CB . 30687 1 262 . 2 . 2 27 27 GLU CG C 13 36.410 0.20 0.582 1 . . . . B 109 GLU CG . 30687 1 263 . 2 . 2 27 27 GLU N N 15 122.400 0.20 1.000 1 . . . . B 109 GLU N . 30687 1 264 . 2 . 2 28 28 ARG H H 1 8.121 0.02 0.658 1 . . . . B 110 ARG H . 30687 1 265 . 2 . 2 28 28 ARG HA H 1 4.049 0.02 1.000 1 . . . . B 110 ARG HA . 30687 1 266 . 2 . 2 28 28 ARG HB2 H 1 1.800 0.02 0.487 2 . . . . B 110 ARG HB2 . 30687 1 267 . 2 . 2 28 28 ARG HB3 H 1 1.724 0.02 0.489 2 . . . . B 110 ARG HB3 . 30687 1 268 . 2 . 2 28 28 ARG HG2 H 1 1.429 0.02 0.477 2 . . . . B 110 ARG HG2 . 30687 1 269 . 2 . 2 28 28 ARG HG3 H 1 1.429 0.02 0.479 2 . . . . B 110 ARG HG3 . 30687 1 270 . 2 . 2 28 28 ARG C C 13 178.900 0.20 1.000 1 . . . . B 110 ARG C . 30687 1 271 . 2 . 2 28 28 ARG CA C 13 59.460 0.20 1.000 1 . . . . B 110 ARG CA . 30687 1 272 . 2 . 2 28 28 ARG CB C 13 30.420 0.20 1.000 1 . . . . B 110 ARG CB . 30687 1 273 . 2 . 2 28 28 ARG CG C 13 27.420 0.20 1.000 1 . . . . B 110 ARG CG . 30687 1 274 . 2 . 2 28 28 ARG N N 15 121.800 0.20 0.658 1 . . . . B 110 ARG N . 30687 1 275 . 2 . 2 29 29 HIS H H 1 7.722 0.02 1.000 1 . . . . B 111 HIS H . 30687 1 276 . 2 . 2 29 29 HIS HA H 1 4.450 0.02 1.000 1 . . . . B 111 HIS HA . 30687 1 277 . 2 . 2 29 29 HIS HB2 H 1 3.428 0.02 0.837 2 . . . . B 111 HIS HB2 . 30687 1 278 . 2 . 2 29 29 HIS HB3 H 1 3.357 0.02 0.815 2 . . . . B 111 HIS HB3 . 30687 1 279 . 2 . 2 29 29 HIS C C 13 178.700 0.20 1.000 1 . . . . B 111 HIS C . 30687 1 280 . 2 . 2 29 29 HIS CA C 13 57.590 0.20 1.000 1 . . . . B 111 HIS CA . 30687 1 281 . 2 . 2 29 29 HIS CB C 13 29.730 0.20 1.000 1 . . . . B 111 HIS CB . 30687 1 282 . 2 . 2 29 29 HIS N N 15 116.900 0.20 1.000 1 . . . . B 111 HIS N . 30687 1 283 . 2 . 2 30 30 ASP H H 1 8.165 0.02 1.000 1 . . . . B 112 ASP H . 30687 1 284 . 2 . 2 30 30 ASP HA H 1 4.493 0.02 1.000 1 . . . . B 112 ASP HA . 30687 1 285 . 2 . 2 30 30 ASP HB2 H 1 2.776 0.02 0.844 2 . . . . B 112 ASP HB2 . 30687 1 286 . 2 . 2 30 30 ASP HB3 H 1 2.736 0.02 0.870 2 . . . . B 112 ASP HB3 . 30687 1 287 . 2 . 2 30 30 ASP C C 13 177.000 0.20 1.000 1 . . . . B 112 ASP C . 30687 1 288 . 2 . 2 30 30 ASP CA C 13 56.400 0.20 1.000 1 . . . . B 112 ASP CA . 30687 1 289 . 2 . 2 30 30 ASP CB C 13 40.700 0.20 1.000 1 . . . . B 112 ASP CB . 30687 1 290 . 2 . 2 30 30 ASP N N 15 118.900 0.20 1.000 1 . . . . B 112 ASP N . 30687 1 291 . 2 . 2 31 31 HIS H H 1 8.179 0.02 1.000 1 . . . . B 113 HIS H . 30687 1 292 . 2 . 2 31 31 HIS HA H 1 4.604 0.02 1.000 1 . . . . B 113 HIS HA . 30687 1 293 . 2 . 2 31 31 HIS HB2 H 1 3.378 0.02 0.793 2 . . . . B 113 HIS HB2 . 30687 1 294 . 2 . 2 31 31 HIS HB3 H 1 3.175 0.02 0.792 2 . . . . B 113 HIS HB3 . 30687 1 295 . 2 . 2 31 31 HIS C C 13 175.300 0.20 1.000 1 . . . . B 113 HIS C . 30687 1 296 . 2 . 2 31 31 HIS CA C 13 56.370 0.20 1.000 1 . . . . B 113 HIS CA . 30687 1 297 . 2 . 2 31 31 HIS CB C 13 29.230 0.20 1.000 1 . . . . B 113 HIS CB . 30687 1 298 . 2 . 2 31 31 HIS N N 15 118.200 0.20 1.000 1 . . . . B 113 HIS N . 30687 1 299 . 2 . 2 32 32 ASP H H 1 8.010 0.02 1.000 1 . . . . B 114 ASP H . 30687 1 300 . 2 . 2 32 32 ASP HA H 1 4.525 0.02 1.000 1 . . . . B 114 ASP HA . 30687 1 301 . 2 . 2 32 32 ASP HB2 H 1 2.774 0.02 0.844 2 . . . . B 114 ASP HB2 . 30687 1 302 . 2 . 2 32 32 ASP HB3 H 1 2.740 0.02 0.870 2 . . . . B 114 ASP HB3 . 30687 1 303 . 2 . 2 32 32 ASP C C 13 176.900 0.20 1.000 1 . . . . B 114 ASP C . 30687 1 304 . 2 . 2 32 32 ASP CA C 13 55.200 0.20 1.000 1 . . . . B 114 ASP CA . 30687 1 305 . 2 . 2 32 32 ASP CB C 13 41.000 0.20 1.000 1 . . . . B 114 ASP CB . 30687 1 306 . 2 . 2 32 32 ASP N N 15 122.400 0.20 1.000 1 . . . . B 114 ASP N . 30687 1 307 . 2 . 2 33 33 GLU H H 1 8.456 0.02 1.000 1 . . . . B 115 GLU H . 30687 1 308 . 2 . 2 33 33 GLU HA H 1 4.151 0.02 0.600 1 . . . . B 115 GLU HA . 30687 1 309 . 2 . 2 33 33 GLU HB2 H 1 1.996 0.02 0.478 2 . . . . B 115 GLU HB2 . 30687 1 310 . 2 . 2 33 33 GLU HB3 H 1 1.958 0.02 0.625 2 . . . . B 115 GLU HB3 . 30687 1 311 . 2 . 2 33 33 GLU HG2 H 1 2.272 0.02 0.533 2 . . . . B 115 GLU HG2 . 30687 1 312 . 2 . 2 33 33 GLU HG3 H 1 2.272 0.02 0.471 2 . . . . B 115 GLU HG3 . 30687 1 313 . 2 . 2 33 33 GLU C C 13 178.800 0.20 0.999 1 . . . . B 115 GLU C . 30687 1 314 . 2 . 2 33 33 GLU CA C 13 57.320 0.20 0.565 1 . . . . B 115 GLU CA . 30687 1 315 . 2 . 2 33 33 GLU CB C 13 30.020 0.20 1.000 1 . . . . B 115 GLU CB . 30687 1 316 . 2 . 2 33 33 GLU CG C 13 36.350 0.20 1.000 1 . . . . B 115 GLU CG . 30687 1 317 . 2 . 2 33 33 GLU N N 15 121.800 0.20 1.000 1 . . . . B 115 GLU N . 30687 1 318 . 2 . 2 34 34 GLU H H 1 8.306 0.02 0.999 1 . . . . B 116 GLU H . 30687 1 319 . 2 . 2 34 34 GLU HA H 1 4.100 0.02 1.000 1 . . . . B 116 GLU HA . 30687 1 320 . 2 . 2 34 34 GLU HB2 H 1 2.002 0.02 0.482 2 . . . . B 116 GLU HB2 . 30687 1 321 . 2 . 2 34 34 GLU HB3 H 1 1.975 0.02 0.435 2 . . . . B 116 GLU HB3 . 30687 1 322 . 2 . 2 34 34 GLU HG2 H 1 2.246 0.02 0.495 2 . . . . B 116 GLU HG2 . 30687 1 323 . 2 . 2 34 34 GLU HG3 H 1 2.246 0.02 0.455 2 . . . . B 116 GLU HG3 . 30687 1 324 . 2 . 2 34 34 GLU C C 13 177.900 0.20 1.000 1 . . . . B 116 GLU C . 30687 1 325 . 2 . 2 34 34 GLU CA C 13 58.320 0.20 1.000 1 . . . . B 116 GLU CA . 30687 1 326 . 2 . 2 34 34 GLU CB C 13 29.660 0.20 1.000 1 . . . . B 116 GLU CB . 30687 1 327 . 2 . 2 34 34 GLU CG C 13 36.200 0.20 1.000 1 . . . . B 116 GLU CG . 30687 1 328 . 2 . 2 34 34 GLU N N 15 121.500 0.20 0.999 1 . . . . B 116 GLU N . 30687 1 329 . 2 . 2 35 35 ALA H H 1 8.088 0.02 1.000 1 . . . . B 117 ALA H . 30687 1 330 . 2 . 2 35 35 ALA HA H 1 4.113 0.02 1.000 1 . . . . B 117 ALA HA . 30687 1 331 . 2 . 2 35 35 ALA HB1 H 1 1.368 0.02 1.000 1 . . . . B 117 ALA HB1 . 30687 1 332 . 2 . 2 35 35 ALA HB2 H 1 1.368 0.02 1.000 1 . . . . B 117 ALA HB2 . 30687 1 333 . 2 . 2 35 35 ALA HB3 H 1 1.368 0.02 1.000 1 . . . . B 117 ALA HB3 . 30687 1 334 . 2 . 2 35 35 ALA C C 13 180.100 0.20 1.000 1 . . . . B 117 ALA C . 30687 1 335 . 2 . 2 35 35 ALA CA C 13 54.340 0.20 1.000 1 . . . . B 117 ALA CA . 30687 1 336 . 2 . 2 35 35 ALA CB C 13 19.050 0.20 1.000 1 . . . . B 117 ALA CB . 30687 1 337 . 2 . 2 35 35 ALA N N 15 123.400 0.20 1.000 1 . . . . B 117 ALA N . 30687 1 338 . 2 . 2 36 36 GLU H H 1 8.091 0.02 1.000 1 . . . . B 118 GLU H . 30687 1 339 . 2 . 2 36 36 GLU HA H 1 4.121 0.02 0.654 1 . . . . B 118 GLU HA . 30687 1 340 . 2 . 2 36 36 GLU HB2 H 1 2.049 0.02 0.355 2 . . . . B 118 GLU HB2 . 30687 1 341 . 2 . 2 36 36 GLU HB3 H 1 1.999 0.02 0.355 2 . . . . B 118 GLU HB3 . 30687 1 342 . 2 . 2 36 36 GLU HG2 H 1 2.156 0.02 0.476 2 . . . . B 118 GLU HG2 . 30687 1 343 . 2 . 2 36 36 GLU HG3 H 1 2.156 0.02 0.410 2 . . . . B 118 GLU HG3 . 30687 1 344 . 2 . 2 36 36 GLU C C 13 178.100 0.20 0.570 1 . . . . B 118 GLU C . 30687 1 345 . 2 . 2 36 36 GLU CA C 13 59.390 0.20 1.000 1 . . . . B 118 GLU CA . 30687 1 346 . 2 . 2 36 36 GLU CB C 13 29.880 0.20 0.693 1 . . . . B 118 GLU CB . 30687 1 347 . 2 . 2 36 36 GLU CG C 13 36.610 0.20 0.693 1 . . . . B 118 GLU CG . 30687 1 348 . 2 . 2 36 36 GLU N N 15 119.500 0.20 1.000 1 . . . . B 118 GLU N . 30687 1 349 . 2 . 2 37 37 ARG H H 1 7.781 0.02 0.570 1 . . . . B 119 ARG H . 30687 1 350 . 2 . 2 37 37 ARG HA H 1 4.117 0.02 0.688 1 . . . . B 119 ARG HA . 30687 1 351 . 2 . 2 37 37 ARG HB2 H 1 1.865 0.02 0.388 2 . . . . B 119 ARG HB2 . 30687 1 352 . 2 . 2 37 37 ARG HB3 H 1 1.865 0.02 0.432 2 . . . . B 119 ARG HB3 . 30687 1 353 . 2 . 2 37 37 ARG HG2 H 1 1.570 0.02 0.399 2 . . . . B 119 ARG HG2 . 30687 1 354 . 2 . 2 37 37 ARG HG3 H 1 1.442 0.02 0.480 2 . . . . B 119 ARG HG3 . 30687 1 355 . 2 . 2 37 37 ARG HD2 H 1 3.201 0.02 0.396 2 . . . . B 119 ARG HD2 . 30687 1 356 . 2 . 2 37 37 ARG HD3 H 1 3.201 0.02 0.798 2 . . . . B 119 ARG HD3 . 30687 1 357 . 2 . 2 37 37 ARG C C 13 178.200 0.20 0.486 1 . . . . B 119 ARG C . 30687 1 358 . 2 . 2 37 37 ARG CA C 13 58.180 0.20 1.000 1 . . . . B 119 ARG CA . 30687 1 359 . 2 . 2 37 37 ARG CB C 13 30.250 0.20 1.000 1 . . . . B 119 ARG CB . 30687 1 360 . 2 . 2 37 37 ARG N N 15 120.100 0.20 0.570 1 . . . . B 119 ARG N . 30687 1 361 . 2 . 2 38 38 LYS H H 1 8.152 0.02 0.486 1 . . . . B 120 LYS H . 30687 1 362 . 2 . 2 38 38 LYS HA H 1 4.065 0.02 1.000 1 . . . . B 120 LYS HA . 30687 1 363 . 2 . 2 38 38 LYS HB2 H 1 1.792 0.02 0.451 2 . . . . B 120 LYS HB2 . 30687 1 364 . 2 . 2 38 38 LYS HB3 H 1 1.788 0.02 0.461 2 . . . . B 120 LYS HB3 . 30687 1 365 . 2 . 2 38 38 LYS HG2 H 1 1.445 0.02 0.469 2 . . . . B 120 LYS HG2 . 30687 1 366 . 2 . 2 38 38 LYS HG3 H 1 1.445 0.02 0.482 2 . . . . B 120 LYS HG3 . 30687 1 367 . 2 . 2 38 38 LYS HD2 H 1 1.597 0.02 0.453 2 . . . . B 120 LYS HD2 . 30687 1 368 . 2 . 2 38 38 LYS HD3 H 1 1.597 0.02 0.465 2 . . . . B 120 LYS HD3 . 30687 1 369 . 2 . 2 38 38 LYS C C 13 177.600 0.20 1.000 1 . . . . B 120 LYS C . 30687 1 370 . 2 . 2 38 38 LYS CA C 13 57.960 0.20 1.000 1 . . . . B 120 LYS CA . 30687 1 371 . 2 . 2 38 38 LYS CB C 13 32.450 0.20 1.000 1 . . . . B 120 LYS CB . 30687 1 372 . 2 . 2 38 38 LYS CG C 13 25.040 0.20 1.000 1 . . . . B 120 LYS CG . 30687 1 373 . 2 . 2 38 38 LYS CD C 13 28.830 0.20 1.000 1 . . . . B 120 LYS CD . 30687 1 374 . 2 . 2 38 38 LYS N N 15 121.300 0.20 0.486 1 . . . . B 120 LYS N . 30687 1 375 . 2 . 2 39 39 ALA H H 1 7.922 0.02 1.000 1 . . . . B 121 ALA H . 30687 1 376 . 2 . 2 39 39 ALA HA H 1 4.147 0.02 1.000 1 . . . . B 121 ALA HA . 30687 1 377 . 2 . 2 39 39 ALA HB1 H 1 1.382 0.02 1.000 1 . . . . B 121 ALA HB1 . 30687 1 378 . 2 . 2 39 39 ALA HB2 H 1 1.382 0.02 1.000 1 . . . . B 121 ALA HB2 . 30687 1 379 . 2 . 2 39 39 ALA HB3 H 1 1.382 0.02 1.000 1 . . . . B 121 ALA HB3 . 30687 1 380 . 2 . 2 39 39 ALA C C 13 179.300 0.20 1.000 1 . . . . B 121 ALA C . 30687 1 381 . 2 . 2 39 39 ALA CA C 13 53.780 0.20 1.000 1 . . . . B 121 ALA CA . 30687 1 382 . 2 . 2 39 39 ALA CB C 13 18.640 0.20 1.000 1 . . . . B 121 ALA CB . 30687 1 383 . 2 . 2 39 39 ALA N N 15 122.900 0.20 1.000 1 . . . . B 121 ALA N . 30687 1 384 . 2 . 2 40 40 LEU H H 1 7.811 0.02 1.000 1 . . . . B 122 LEU H . 30687 1 385 . 2 . 2 40 40 LEU HA H 1 4.092 0.02 1.000 1 . . . . B 122 LEU HA . 30687 1 386 . 2 . 2 40 40 LEU HB2 H 1 1.648 0.02 0.453 2 . . . . B 122 LEU HB2 . 30687 1 387 . 2 . 2 40 40 LEU HB3 H 1 1.648 0.02 0.393 2 . . . . B 122 LEU HB3 . 30687 1 388 . 2 . 2 40 40 LEU HG H 1 1.532 0.02 1.000 1 . . . . B 122 LEU HG . 30687 1 389 . 2 . 2 40 40 LEU HD11 H 1 0.843 0.02 0.592 2 . . . . B 122 LEU HD11 . 30687 1 390 . 2 . 2 40 40 LEU HD12 H 1 0.843 0.02 0.592 2 . . . . B 122 LEU HD12 . 30687 1 391 . 2 . 2 40 40 LEU HD13 H 1 0.843 0.02 0.592 2 . . . . B 122 LEU HD13 . 30687 1 392 . 2 . 2 40 40 LEU HD21 H 1 0.843 0.02 0.577 2 . . . . B 122 LEU HD21 . 30687 1 393 . 2 . 2 40 40 LEU HD22 H 1 0.843 0.02 0.577 2 . . . . B 122 LEU HD22 . 30687 1 394 . 2 . 2 40 40 LEU HD23 H 1 0.843 0.02 0.577 2 . . . . B 122 LEU HD23 . 30687 1 395 . 2 . 2 40 40 LEU C C 13 178.500 0.20 1.000 1 . . . . B 122 LEU C . 30687 1 396 . 2 . 2 40 40 LEU CA C 13 56.420 0.20 1.000 1 . . . . B 122 LEU CA . 30687 1 397 . 2 . 2 40 40 LEU CB C 13 42.170 0.20 1.000 1 . . . . B 122 LEU CB . 30687 1 398 . 2 . 2 40 40 LEU CG C 13 26.920 0.20 0.857 1 . . . . B 122 LEU CG . 30687 1 399 . 2 . 2 40 40 LEU CD1 C 13 24.840 0.20 0.718 2 . . . . B 122 LEU CD1 . 30687 1 400 . 2 . 2 40 40 LEU CD2 C 13 23.950 0.20 0.691 2 . . . . B 122 LEU CD2 . 30687 1 401 . 2 . 2 40 40 LEU N N 15 120.300 0.20 1.000 1 . . . . B 122 LEU N . 30687 1 402 . 2 . 2 41 41 GLU H H 1 8.080 0.02 1.000 1 . . . . B 123 GLU H . 30687 1 403 . 2 . 2 41 41 GLU HA H 1 4.146 0.02 0.601 1 . . . . B 123 GLU HA . 30687 1 404 . 2 . 2 41 41 GLU HB2 H 1 2.019 0.02 0.354 2 . . . . B 123 GLU HB2 . 30687 1 405 . 2 . 2 41 41 GLU HB3 H 1 1.949 0.02 0.359 2 . . . . B 123 GLU HB3 . 30687 1 406 . 2 . 2 41 41 GLU HG2 H 1 2.229 0.02 0.366 2 . . . . B 123 GLU HG2 . 30687 1 407 . 2 . 2 41 41 GLU HG3 H 1 2.229 0.02 0.405 2 . . . . B 123 GLU HG3 . 30687 1 408 . 2 . 2 41 41 GLU C C 13 177.800 0.20 0.382 1 . . . . B 123 GLU C . 30687 1 409 . 2 . 2 41 41 GLU CA C 13 57.030 0.20 1.000 1 . . . . B 123 GLU CA . 30687 1 410 . 2 . 2 41 41 GLU CB C 13 30.100 0.20 0.603 1 . . . . B 123 GLU CB . 30687 1 411 . 2 . 2 41 41 GLU CG C 13 36.360 0.20 0.603 1 . . . . B 123 GLU CG . 30687 1 412 . 2 . 2 41 41 GLU N N 15 120.700 0.20 1.000 1 . . . . B 123 GLU N . 30687 1 413 . 2 . 2 42 42 ASP H H 1 8.246 0.02 0.382 1 . . . . B 124 ASP H . 30687 1 414 . 2 . 2 42 42 ASP HA H 1 4.451 0.02 1.000 1 . . . . B 124 ASP HA . 30687 1 415 . 2 . 2 42 42 ASP HB2 H 1 2.617 0.02 0.889 2 . . . . B 124 ASP HB2 . 30687 1 416 . 2 . 2 42 42 ASP HB3 H 1 2.610 0.02 0.499 2 . . . . B 124 ASP HB3 . 30687 1 417 . 2 . 2 42 42 ASP C C 13 175.900 0.20 1.000 1 . . . . B 124 ASP C . 30687 1 418 . 2 . 2 42 42 ASP CA C 13 55.970 0.20 0.605 1 . . . . B 124 ASP CA . 30687 1 419 . 2 . 2 42 42 ASP CB C 13 41.130 0.20 0.389 1 . . . . B 124 ASP CB . 30687 1 420 . 2 . 2 42 42 ASP N N 15 121.000 0.20 0.382 1 . . . . B 124 ASP N . 30687 1 421 . 2 . 2 43 43 LYS H H 1 8.117 0.02 1.000 1 . . . . B 125 LYS H . 30687 1 422 . 2 . 2 43 43 LYS HB2 H 1 1.787 0.02 0.473 2 . . . . B 125 LYS HB2 . 30687 1 423 . 2 . 2 43 43 LYS HB3 H 1 1.773 0.02 0.475 2 . . . . B 125 LYS HB3 . 30687 1 424 . 2 . 2 43 43 LYS HG2 H 1 1.383 0.02 0.468 2 . . . . B 125 LYS HG2 . 30687 1 425 . 2 . 2 43 43 LYS HG3 H 1 1.383 0.02 0.488 2 . . . . B 125 LYS HG3 . 30687 1 426 . 2 . 2 43 43 LYS C C 13 177.500 0.20 1.000 1 . . . . B 125 LYS C . 30687 1 427 . 2 . 2 43 43 LYS CA C 13 56.590 0.20 1.000 1 . . . . B 125 LYS CA . 30687 1 428 . 2 . 2 43 43 LYS CB C 13 32.640 0.20 1.000 1 . . . . B 125 LYS CB . 30687 1 429 . 2 . 2 43 43 LYS CG C 13 25.030 0.20 1.000 1 . . . . B 125 LYS CG . 30687 1 430 . 2 . 2 43 43 LYS CD C 13 28.760 0.20 1.000 1 . . . . B 125 LYS CD . 30687 1 431 . 2 . 2 43 43 LYS N N 15 121.500 0.20 1.000 1 . . . . B 125 LYS N . 30687 1 432 . 2 . 2 44 44 LEU H H 1 7.935 0.02 1.000 1 . . . . B 126 LEU H . 30687 1 433 . 2 . 2 44 44 LEU HA H 1 4.202 0.02 1.000 1 . . . . B 126 LEU HA . 30687 1 434 . 2 . 2 44 44 LEU HB2 H 1 1.610 0.02 0.524 2 . . . . B 126 LEU HB2 . 30687 1 435 . 2 . 2 44 44 LEU HB3 H 1 1.586 0.02 0.514 2 . . . . B 126 LEU HB3 . 30687 1 436 . 2 . 2 44 44 LEU HD11 H 1 0.818 0.02 0.636 2 . . . . B 126 LEU HD11 . 30687 1 437 . 2 . 2 44 44 LEU HD12 H 1 0.818 0.02 0.636 2 . . . . B 126 LEU HD12 . 30687 1 438 . 2 . 2 44 44 LEU HD13 H 1 0.818 0.02 0.636 2 . . . . B 126 LEU HD13 . 30687 1 439 . 2 . 2 44 44 LEU HD21 H 1 0.818 0.02 0.631 2 . . . . B 126 LEU HD21 . 30687 1 440 . 2 . 2 44 44 LEU HD22 H 1 0.818 0.02 0.631 2 . . . . B 126 LEU HD22 . 30687 1 441 . 2 . 2 44 44 LEU HD23 H 1 0.818 0.02 0.631 2 . . . . B 126 LEU HD23 . 30687 1 442 . 2 . 2 44 44 LEU C C 13 177.700 0.20 1.000 1 . . . . B 126 LEU C . 30687 1 443 . 2 . 2 44 44 LEU CA C 13 55.700 0.20 1.000 1 . . . . B 126 LEU CA . 30687 1 444 . 2 . 2 44 44 LEU CB C 13 42.050 0.20 1.000 1 . . . . B 126 LEU CB . 30687 1 445 . 2 . 2 44 44 LEU CG C 13 26.960 0.20 1.000 1 . . . . B 126 LEU CG . 30687 1 446 . 2 . 2 44 44 LEU CD1 C 13 24.710 0.20 1.000 2 . . . . B 126 LEU CD1 . 30687 1 447 . 2 . 2 44 44 LEU CD2 C 13 23.350 0.20 1.000 2 . . . . B 126 LEU CD2 . 30687 1 448 . 2 . 2 44 44 LEU N N 15 122.900 0.20 1.000 1 . . . . B 126 LEU N . 30687 1 449 . 2 . 2 45 45 ALA H H 1 7.912 0.02 1.000 1 . . . . B 127 ALA H . 30687 1 450 . 2 . 2 45 45 ALA HA H 1 4.180 0.02 1.000 1 . . . . B 127 ALA HA . 30687 1 451 . 2 . 2 45 45 ALA HB1 H 1 1.312 0.02 1.000 1 . . . . B 127 ALA HB1 . 30687 1 452 . 2 . 2 45 45 ALA HB2 H 1 1.312 0.02 1.000 1 . . . . B 127 ALA HB2 . 30687 1 453 . 2 . 2 45 45 ALA HB3 H 1 1.312 0.02 1.000 1 . . . . B 127 ALA HB3 . 30687 1 454 . 2 . 2 45 45 ALA C C 13 177.600 0.20 1.000 1 . . . . B 127 ALA C . 30687 1 455 . 2 . 2 45 45 ALA CA C 13 52.720 0.20 1.000 1 . . . . B 127 ALA CA . 30687 1 456 . 2 . 2 45 45 ALA CB C 13 19.230 0.20 1.000 1 . . . . B 127 ALA CB . 30687 1 457 . 2 . 2 45 45 ALA N N 15 123.800 0.20 1.000 1 . . . . B 127 ALA N . 30687 1 458 . 2 . 2 46 46 ASP H H 1 8.140 0.02 1.000 1 . . . . B 128 ASP H . 30687 1 459 . 2 . 2 46 46 ASP HA H 1 4.464 0.02 1.000 1 . . . . B 128 ASP HA . 30687 1 460 . 2 . 2 46 46 ASP HB2 H 1 2.621 0.02 0.713 2 . . . . B 128 ASP HB2 . 30687 1 461 . 2 . 2 46 46 ASP HB3 H 1 2.593 0.02 0.720 2 . . . . B 128 ASP HB3 . 30687 1 462 . 2 . 2 46 46 ASP C C 13 177.200 0.20 0.406 1 . . . . B 128 ASP C . 30687 1 463 . 2 . 2 46 46 ASP CA C 13 55.320 0.20 0.266 1 . . . . B 128 ASP CA . 30687 1 464 . 2 . 2 46 46 ASP CB C 13 41.260 0.20 1.000 1 . . . . B 128 ASP CB . 30687 1 465 . 2 . 2 46 46 ASP N N 15 120.400 0.20 1.000 1 . . . . B 128 ASP N . 30687 1 466 . 2 . 2 47 47 LYS H H 1 7.937 0.02 0.406 1 . . . . B 129 LYS H . 30687 1 467 . 2 . 2 47 47 LYS HA H 1 4.217 0.02 0.589 1 . . . . B 129 LYS HA . 30687 1 468 . 2 . 2 47 47 LYS HB2 H 1 1.809 0.02 0.370 2 . . . . B 129 LYS HB2 . 30687 1 469 . 2 . 2 47 47 LYS HB3 H 1 1.736 0.02 0.438 2 . . . . B 129 LYS HB3 . 30687 1 470 . 2 . 2 47 47 LYS HG2 H 1 1.336 0.02 0.380 2 . . . . B 129 LYS HG2 . 30687 1 471 . 2 . 2 47 47 LYS HG3 H 1 1.271 0.02 0.434 2 . . . . B 129 LYS HG3 . 30687 1 472 . 2 . 2 47 47 LYS C C 13 177.500 0.20 0.387 1 . . . . B 129 LYS C . 30687 1 473 . 2 . 2 47 47 LYS CA C 13 56.710 0.20 1.000 1 . . . . B 129 LYS CA . 30687 1 474 . 2 . 2 47 47 LYS CB C 13 32.890 0.20 1.000 1 . . . . B 129 LYS CB . 30687 1 475 . 2 . 2 47 47 LYS CG C 13 24.650 0.20 0.866 1 . . . . B 129 LYS CG . 30687 1 476 . 2 . 2 47 47 LYS CD C 13 29.410 0.20 0.866 1 . . . . B 129 LYS CD . 30687 1 477 . 2 . 2 47 47 LYS N N 15 121.300 0.20 0.406 1 . . . . B 129 LYS N . 30687 1 478 . 2 . 2 48 48 GLN H H 1 8.395 0.02 0.387 1 . . . . B 130 GLN H . 30687 1 479 . 2 . 2 48 48 GLN HA H 1 4.169 0.02 1.000 1 . . . . B 130 GLN HA . 30687 1 480 . 2 . 2 48 48 GLN HB2 H 1 1.952 0.02 0.496 2 . . . . B 130 GLN HB2 . 30687 1 481 . 2 . 2 48 48 GLN HB3 H 1 1.928 0.02 0.401 2 . . . . B 130 GLN HB3 . 30687 1 482 . 2 . 2 48 48 GLN HG2 H 1 2.267 0.02 0.495 2 . . . . B 130 GLN HG2 . 30687 1 483 . 2 . 2 48 48 GLN HG3 H 1 2.267 0.02 0.488 2 . . . . B 130 GLN HG3 . 30687 1 484 . 2 . 2 48 48 GLN C C 13 176.900 0.20 0.730 1 . . . . B 130 GLN C . 30687 1 485 . 2 . 2 48 48 GLN CA C 13 56.980 0.20 1.000 1 . . . . B 130 GLN CA . 30687 1 486 . 2 . 2 48 48 GLN CB C 13 29.390 0.20 0.377 1 . . . . B 130 GLN CB . 30687 1 487 . 2 . 2 48 48 GLN CG C 13 33.850 0.20 1.000 1 . . . . B 130 GLN CG . 30687 1 488 . 2 . 2 48 48 GLN N N 15 122.500 0.20 0.387 1 . . . . B 130 GLN N . 30687 1 489 . 2 . 2 49 49 GLU H H 1 8.389 0.02 0.730 1 . . . . B 131 GLU H . 30687 1 490 . 2 . 2 49 49 GLU HA H 1 4.148 0.02 1.000 1 . . . . B 131 GLU HA . 30687 1 491 . 2 . 2 49 49 GLU HB2 H 1 1.928 0.02 0.523 2 . . . . B 131 GLU HB2 . 30687 1 492 . 2 . 2 49 49 GLU HB3 H 1 1.830 0.02 0.491 2 . . . . B 131 GLU HB3 . 30687 1 493 . 2 . 2 49 49 GLU HG2 H 1 2.118 0.02 0.471 2 . . . . B 131 GLU HG2 . 30687 1 494 . 2 . 2 49 49 GLU HG3 H 1 2.118 0.02 0.243 2 . . . . B 131 GLU HG3 . 30687 1 495 . 2 . 2 49 49 GLU C C 13 176.000 0.20 0.996 1 . . . . B 131 GLU C . 30687 1 496 . 2 . 2 49 49 GLU CA C 13 56.610 0.20 1.000 1 . . . . B 131 GLU CA . 30687 1 497 . 2 . 2 49 49 GLU CB C 13 30.520 0.20 1.000 1 . . . . B 131 GLU CB . 30687 1 498 . 2 . 2 49 49 GLU CG C 13 36.370 0.20 1.000 1 . . . . B 131 GLU CG . 30687 1 499 . 2 . 2 49 49 GLU N N 15 122.500 0.20 0.730 1 . . . . B 131 GLU N . 30687 1 500 . 2 . 2 50 50 HIS H H 1 8.467 0.02 0.996 1 . . . . B 132 HIS H . 30687 1 501 . 2 . 2 50 50 HIS HA H 1 4.588 0.02 1.000 1 . . . . B 132 HIS HA . 30687 1 502 . 2 . 2 50 50 HIS HB2 H 1 3.112 0.02 0.868 2 . . . . B 132 HIS HB2 . 30687 1 503 . 2 . 2 50 50 HIS HB3 H 1 3.108 0.02 0.873 2 . . . . B 132 HIS HB3 . 30687 1 504 . 2 . 2 50 50 HIS C C 13 174.100 0.20 1.000 1 . . . . B 132 HIS C . 30687 1 505 . 2 . 2 50 50 HIS CA C 13 55.500 0.20 1.000 1 . . . . B 132 HIS CA . 30687 1 506 . 2 . 2 50 50 HIS CB C 13 29.450 0.20 0.494 1 . . . . B 132 HIS CB . 30687 1 507 . 2 . 2 50 50 HIS N N 15 120.400 0.20 0.996 1 . . . . B 132 HIS N . 30687 1 508 . 2 . 2 51 51 LEU H H 1 8.290 0.02 1.000 1 . . . . B 133 LEU H . 30687 1 509 . 2 . 2 51 51 LEU HA H 1 4.314 0.02 1.000 1 . . . . B 133 LEU HA . 30687 1 510 . 2 . 2 51 51 LEU HB2 H 1 1.515 0.02 0.597 2 . . . . B 133 LEU HB2 . 30687 1 511 . 2 . 2 51 51 LEU HB3 H 1 1.471 0.02 0.406 2 . . . . B 133 LEU HB3 . 30687 1 512 . 2 . 2 51 51 LEU C C 13 176.000 0.20 1.000 1 . . . . B 133 LEU C . 30687 1 513 . 2 . 2 51 51 LEU CA C 13 55.170 0.20 1.000 1 . . . . B 133 LEU CA . 30687 1 514 . 2 . 2 51 51 LEU CB C 13 42.360 0.20 1.000 1 . . . . B 133 LEU CB . 30687 1 515 . 2 . 2 51 51 LEU CG C 13 26.960 0.20 1.000 1 . . . . B 133 LEU CG . 30687 1 516 . 2 . 2 51 51 LEU CD1 C 13 24.650 0.20 1.000 2 . . . . B 133 LEU CD1 . 30687 1 517 . 2 . 2 51 51 LEU CD2 C 13 23.460 0.20 1.000 2 . . . . B 133 LEU CD2 . 30687 1 518 . 2 . 2 51 51 LEU N N 15 125.500 0.20 1.000 1 . . . . B 133 LEU N . 30687 1 519 . 2 . 2 52 52 ASP H H 1 8.360 0.02 1.000 1 . . . . B 134 ASP H . 30687 1 520 . 2 . 2 52 52 ASP HA H 1 4.392 0.02 1.000 1 . . . . B 134 ASP HA . 30687 1 521 . 2 . 2 52 52 ASP HB2 H 1 2.643 0.02 1.000 2 . . . . B 134 ASP HB2 . 30687 1 522 . 2 . 2 52 52 ASP HB3 H 1 2.598 0.02 0.389 2 . . . . B 134 ASP HB3 . 30687 1 523 . 2 . 2 52 52 ASP C C 13 176.600 0.20 0.948 1 . . . . B 134 ASP C . 30687 1 524 . 2 . 2 52 52 ASP CA C 13 54.900 0.20 0.604 1 . . . . B 134 ASP CA . 30687 1 525 . 2 . 2 52 52 ASP CB C 13 41.460 0.20 0.604 1 . . . . B 134 ASP CB . 30687 1 526 . 2 . 2 52 52 ASP N N 15 121.900 0.20 1.000 1 . . . . B 134 ASP N . 30687 1 527 . 2 . 2 53 53 GLY H H 1 8.291 0.02 0.948 1 . . . . B 135 GLY H . 30687 1 528 . 2 . 2 53 53 GLY HA2 H 1 3.823 0.02 1.000 2 . . . . B 135 GLY HA2 . 30687 1 529 . 2 . 2 53 53 GLY HA3 H 1 3.823 0.02 1.000 2 . . . . B 135 GLY HA3 . 30687 1 530 . 2 . 2 53 53 GLY C C 13 174.300 0.20 1.000 1 . . . . B 135 GLY C . 30687 1 531 . 2 . 2 53 53 GLY CA C 13 45.630 0.20 0.546 1 . . . . B 135 GLY CA . 30687 1 532 . 2 . 2 53 53 GLY N N 15 114.900 0.20 0.948 1 . . . . B 135 GLY N . 30687 1 533 . 2 . 2 54 54 ALA H H 1 8.213 0.02 1.000 1 . . . . B 136 ALA H . 30687 1 534 . 2 . 2 54 54 ALA HA H 1 4.238 0.02 0.646 1 . . . . B 136 ALA HA . 30687 1 535 . 2 . 2 54 54 ALA HB1 H 1 1.297 0.02 1.000 1 . . . . B 136 ALA HB1 . 30687 1 536 . 2 . 2 54 54 ALA HB2 H 1 1.297 0.02 1.000 1 . . . . B 136 ALA HB2 . 30687 1 537 . 2 . 2 54 54 ALA HB3 H 1 1.297 0.02 1.000 1 . . . . B 136 ALA HB3 . 30687 1 538 . 2 . 2 54 54 ALA C C 13 177.600 0.20 1.000 1 . . . . B 136 ALA C . 30687 1 539 . 2 . 2 54 54 ALA CA C 13 52.420 0.20 1.000 1 . . . . B 136 ALA CA . 30687 1 540 . 2 . 2 54 54 ALA CB C 13 19.570 0.20 1.000 1 . . . . B 136 ALA CB . 30687 1 541 . 2 . 2 54 54 ALA N N 15 123.800 0.20 1.000 1 . . . . B 136 ALA N . 30687 1 542 . 2 . 2 55 55 LEU H H 1 8.235 0.02 1.000 1 . . . . B 137 LEU H . 30687 1 543 . 2 . 2 55 55 LEU HA H 1 4.202 0.02 1.000 1 . . . . B 137 LEU HA . 30687 1 544 . 2 . 2 55 55 LEU HB2 H 1 1.490 0.02 0.538 2 . . . . B 137 LEU HB2 . 30687 1 545 . 2 . 2 55 55 LEU HB3 H 1 1.488 0.02 0.524 2 . . . . B 137 LEU HB3 . 30687 1 546 . 2 . 2 55 55 LEU HD11 H 1 0.787 0.02 0.567 2 . . . . B 137 LEU HD11 . 30687 1 547 . 2 . 2 55 55 LEU HD12 H 1 0.787 0.02 0.567 2 . . . . B 137 LEU HD12 . 30687 1 548 . 2 . 2 55 55 LEU HD13 H 1 0.787 0.02 0.567 2 . . . . B 137 LEU HD13 . 30687 1 549 . 2 . 2 55 55 LEU HD21 H 1 0.787 0.02 0.673 2 . . . . B 137 LEU HD21 . 30687 1 550 . 2 . 2 55 55 LEU HD22 H 1 0.787 0.02 0.673 2 . . . . B 137 LEU HD22 . 30687 1 551 . 2 . 2 55 55 LEU HD23 H 1 0.787 0.02 0.673 2 . . . . B 137 LEU HD23 . 30687 1 552 . 2 . 2 55 55 LEU C C 13 176.900 0.20 1.000 1 . . . . B 137 LEU C . 30687 1 553 . 2 . 2 55 55 LEU CA C 13 55.150 0.20 1.000 1 . . . . B 137 LEU CA . 30687 1 554 . 2 . 2 55 55 LEU CB C 13 42.270 0.20 1.000 1 . . . . B 137 LEU CB . 30687 1 555 . 2 . 2 55 55 LEU CG C 13 27.030 0.20 1.000 1 . . . . B 137 LEU CG . 30687 1 556 . 2 . 2 55 55 LEU N N 15 122.400 0.20 1.000 1 . . . . B 137 LEU N . 30687 1 557 . 2 . 2 56 56 ARG H H 1 8.022 0.02 1.000 1 . . . . B 138 ARG H . 30687 1 558 . 2 . 2 56 56 ARG HA H 1 4.215 0.02 1.000 1 . . . . B 138 ARG HA . 30687 1 559 . 2 . 2 56 56 ARG HB2 H 1 1.657 0.02 0.545 2 . . . . B 138 ARG HB2 . 30687 1 560 . 2 . 2 56 56 ARG HB3 H 1 1.618 0.02 0.446 2 . . . . B 138 ARG HB3 . 30687 1 561 . 2 . 2 56 56 ARG HG2 H 1 1.496 0.02 0.426 2 . . . . B 138 ARG HG2 . 30687 1 562 . 2 . 2 56 56 ARG HG3 H 1 1.496 0.02 0.529 2 . . . . B 138 ARG HG3 . 30687 1 563 . 2 . 2 56 56 ARG HD2 H 1 3.071 0.02 0.396 2 . . . . B 138 ARG HD2 . 30687 1 564 . 2 . 2 56 56 ARG HD3 H 1 3.071 0.02 0.798 2 . . . . B 138 ARG HD3 . 30687 1 565 . 2 . 2 56 56 ARG C C 13 174.800 0.20 1.000 1 . . . . B 138 ARG C . 30687 1 566 . 2 . 2 56 56 ARG CA C 13 55.700 0.20 1.000 1 . . . . B 138 ARG CA . 30687 1 567 . 2 . 2 56 56 ARG CB C 13 31.120 0.20 1.000 1 . . . . B 138 ARG CB . 30687 1 568 . 2 . 2 56 56 ARG CG C 13 26.980 0.20 1.000 1 . . . . B 138 ARG CG . 30687 1 569 . 2 . 2 56 56 ARG CD C 13 43.270 0.20 1.000 1 . . . . B 138 ARG CD . 30687 1 570 . 2 . 2 56 56 ARG N N 15 122.500 0.20 1.000 1 . . . . B 138 ARG N . 30687 1 571 . 2 . 2 57 57 TYR H H 1 7.639 0.02 1.000 1 . . . . B 139 TYR H . 30687 1 572 . 2 . 2 57 57 TYR HA H 1 4.284 0.02 1.000 1 . . . . B 139 TYR HA . 30687 1 573 . 2 . 2 57 57 TYR HB2 H 1 3.004 0.02 0.545 2 . . . . B 139 TYR HB2 . 30687 1 574 . 2 . 2 57 57 TYR HB3 H 1 2.762 0.02 0.446 2 . . . . B 139 TYR HB3 . 30687 1 575 . 2 . 2 57 57 TYR C C 13 180.400 0.20 1.000 1 . . . . B 139 TYR C . 30687 1 576 . 2 . 2 57 57 TYR CA C 13 59.080 0.20 1.000 1 . . . . B 139 TYR CA . 30687 1 577 . 2 . 2 57 57 TYR CB C 13 39.600 0.20 1.000 1 . . . . B 139 TYR CB . 30687 1 578 . 2 . 2 57 57 TYR N N 15 126.700 0.20 1.000 1 . . . . B 139 TYR N . 30687 1 stop_ save_