################################### # 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 30871 _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 ; -0.74 ppm offset applied as recommended in initial validation report. Account for TROSY effect in NMR spectra used to obtain assignments. ; _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 '3D NOESY' . . . 30871 1 2 '3D NOESY' . . . 30871 1 3 '2D 1H-13C HSQC aliphatic' . . . 30871 1 4 '2D 1H-13C HSQC aromatic' . . . 30871 1 5 '2D 1H-15N HSQC' . . . 30871 1 6 '3D C(CO)NH' . . . 30871 1 7 '3D CBCA(CO)NH' . . . 30871 1 8 '3D HNCO' . . . 30871 1 9 '3D HNCACB' . . . 30871 1 10 '3D H(CCO)NH' . . . 30871 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' 'all 15N' 15 -0.74 . 30871 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 1 1 GLY HA2 H 1 3.7800 0.0000 . 2 . . . . A 1 GLY HA2 . 30871 1 2 . 1 . 1 1 1 GLY CA C 13 43.6800 0.0000 . 1 . . . . A 1 GLY CA . 30871 1 3 . 1 . 1 3 3 PRO HA H 1 4.4460 0.0000 . 1 . . . . A 3 PRO HA . 30871 1 4 . 1 . 1 3 3 PRO HB2 H 1 2.0170 0.0000 . 2 . . 14473 . A 3 PRO HB2 . 30871 1 5 . 1 . 1 3 3 PRO HB3 H 1 2.2860 0.0000 . 2 . . . . A 3 PRO HB3 . 30871 1 6 . 1 . 1 3 3 PRO HG2 H 1 2.0170 0.0000 . 2 . . 14473 . A 3 PRO HG2 . 30871 1 7 . 1 . 1 3 3 PRO HD2 H 1 3.8860 0.0000 . 2 . . . . A 3 PRO HD2 . 30871 1 8 . 1 . 1 3 3 PRO HD3 H 1 3.7300 0.0000 . 2 . . . . A 3 PRO HD3 . 30871 1 9 . 1 . 1 3 3 PRO CA C 13 62.9870 0.0000 . 1 . . 4422 . A 3 PRO CA . 30871 1 10 . 1 . 1 3 3 PRO CB C 13 31.9925 0.0000 . 1 . . 4419 . A 3 PRO CB . 30871 1 11 . 1 . 1 3 3 PRO CG C 13 27.5300 0.0000 . 1 . . 13819 . A 3 PRO CG . 30871 1 12 . 1 . 1 3 3 PRO CD C 13 50.7200 0.0000 . 1 . . 13810 . A 3 PRO CD . 30871 1 13 . 1 . 1 4 4 ARG H H 1 8.5228 0.0000 . 1 . . 4418 . A 4 ARG H . 30871 1 14 . 1 . 1 4 4 ARG HA H 1 4.2780 0.0000 . 1 . . 14392 . A 4 ARG HA . 30871 1 15 . 1 . 1 4 4 ARG HB2 H 1 2.2740 0.0000 . 2 . . 14401 . A 4 ARG HB2 . 30871 1 16 . 1 . 1 4 4 ARG HG2 H 1 1.7040 0.0000 . 2 . . . . A 4 ARG HG2 . 30871 1 17 . 1 . 1 4 4 ARG HD2 H 1 3.2110 0.0000 . 2 . . 14395 . A 4 ARG HD2 . 30871 1 18 . 1 . 1 4 4 ARG CA C 13 56.0387 0.0000 . 1 . . 8733 . A 4 ARG CA . 30871 1 19 . 1 . 1 4 4 ARG CB C 13 31.0938 0.0000 . 1 . . 8696 . A 4 ARG CB . 30871 1 20 . 1 . 1 4 4 ARG CG C 13 27.2000 0.0000 . 1 . . . . A 4 ARG CG . 30871 1 21 . 1 . 1 4 4 ARG CD C 13 43.3600 0.0000 . 1 . . . . A 4 ARG CD . 30871 1 22 . 1 . 1 4 4 ARG N N 15 120.1642 0.0000 . 1 . . 4420 . A 4 ARG N . 30871 1 23 . 1 . 1 5 5 ASP H H 1 8.2517 0.0000 . 1 . . 1788 . A 5 ASP H . 30871 1 24 . 1 . 1 5 5 ASP HA H 1 4.8519 0.0000 . 1 . . . . A 5 ASP HA . 30871 1 25 . 1 . 1 5 5 ASP HB2 H 1 2.7698 0.0000 . 2 . . . . A 5 ASP HB2 . 30871 1 26 . 1 . 1 5 5 ASP CA C 13 53.0317 0.0000 . 1 . . 2203 . A 5 ASP CA . 30871 1 27 . 1 . 1 5 5 ASP CB C 13 40.6457 0.0000 . 1 . . 8365 . A 5 ASP CB . 30871 1 28 . 1 . 1 5 5 ASP N N 15 120.8188 0.0000 . 1 . . 1790 . A 5 ASP N . 30871 1 29 . 1 . 1 6 6 PRO HA H 1 4.2890 0.0000 . 1 . . . . A 6 PRO HA . 30871 1 30 . 1 . 1 6 6 PRO HB2 H 1 2.3750 0.0000 . 2 . . . . A 6 PRO HB2 . 30871 1 31 . 1 . 1 6 6 PRO HB3 H 1 1.7770 0.0000 . 2 . . 14506 . A 6 PRO HB3 . 30871 1 32 . 1 . 1 6 6 PRO HG2 H 1 2.0280 0.0000 . 2 . . . . A 6 PRO HG2 . 30871 1 33 . 1 . 1 6 6 PRO HD2 H 1 3.8970 0.0000 . 2 . . . . A 6 PRO HD2 . 30871 1 34 . 1 . 1 6 6 PRO CA C 13 64.9790 0.0000 . 1 . . 9546 . A 6 PRO CA . 30871 1 35 . 1 . 1 6 6 PRO CB C 13 31.9542 0.0000 . 1 . . 9665 . A 6 PRO CB . 30871 1 36 . 1 . 1 6 6 PRO CG C 13 27.9590 0.0000 . 1 . . 13882 . A 6 PRO CG . 30871 1 37 . 1 . 1 6 6 PRO CD C 13 50.9780 0.0000 . 1 . . 13867 . A 6 PRO CD . 30871 1 38 . 1 . 1 7 7 GLU H H 1 8.4211 0.0000 . 1 . . 9413 . A 7 GLU H . 30871 1 39 . 1 . 1 7 7 GLU HA H 1 4.1750 0.0000 . 1 . . 14584 . A 7 GLU HA . 30871 1 40 . 1 . 1 7 7 GLU HB2 H 1 2.3110 0.0000 . 2 . . . . A 7 GLU HB2 . 30871 1 41 . 1 . 1 7 7 GLU HG2 H 1 2.3250 0.0000 . 2 . . 14596 . A 7 GLU HG2 . 30871 1 42 . 1 . 1 7 7 GLU CA C 13 58.9303 0.0000 . 1 . . 14982 . A 7 GLU CA . 30871 1 43 . 1 . 1 7 7 GLU CB C 13 29.2510 0.0000 . 1 . . 14960 . A 7 GLU CB . 30871 1 44 . 1 . 1 7 7 GLU CG C 13 36.3310 0.0000 . 1 . . . . A 7 GLU CG . 30871 1 45 . 1 . 1 7 7 GLU N N 15 118.6093 0.0000 . 1 . . 9415 . A 7 GLU N . 30871 1 46 . 1 . 1 8 8 GLN H H 1 8.2414 0.0000 . 1 . . 4865 . A 8 GLN H . 30871 1 47 . 1 . 1 8 8 GLN HA H 1 4.2140 0.0000 . 1 . . 14581 . A 8 GLN HA . 30871 1 48 . 1 . 1 8 8 GLN HB2 H 1 2.3220 0.0000 . 2 . . 14599 . A 8 GLN HB2 . 30871 1 49 . 1 . 1 8 8 GLN HG2 H 1 2.4640 0.0000 . 2 . . . . A 8 GLN HG2 . 30871 1 50 . 1 . 1 8 8 GLN HG3 H 1 2.3220 0.0000 . 2 . . 14599 . A 8 GLN HG3 . 30871 1 51 . 1 . 1 8 8 GLN CA C 13 58.0674 0.0000 . 1 . . 15062 . A 8 GLN CA . 30871 1 52 . 1 . 1 8 8 GLN CB C 13 28.5288 0.0000 . 1 . . 15060 . A 8 GLN CB . 30871 1 53 . 1 . 1 8 8 GLN CG C 13 34.2620 0.0000 . 1 . . 13963 . A 8 GLN CG . 30871 1 54 . 1 . 1 8 8 GLN N N 15 119.6887 0.0000 . 1 . . 4867 . A 8 GLN N . 30871 1 55 . 1 . 1 9 9 ARG H H 1 8.3007 0.0000 . 1 . . 12036 . A 9 ARG H . 30871 1 56 . 1 . 1 9 9 ARG HA H 1 4.0260 0.0000 . 1 . . . . A 9 ARG HA . 30871 1 57 . 1 . 1 9 9 ARG HB2 H 1 1.8640 0.0000 . 2 . . . . A 9 ARG HB2 . 30871 1 58 . 1 . 1 9 9 ARG HG2 H 1 1.6700 0.0000 . 2 . . . . A 9 ARG HG2 . 30871 1 59 . 1 . 1 9 9 ARG HG3 H 1 1.8640 0.0000 . 2 . . . . A 9 ARG HG3 . 30871 1 60 . 1 . 1 9 9 ARG HD2 H 1 3.2370 0.0000 . 2 . . . . A 9 ARG HD2 . 30871 1 61 . 1 . 1 9 9 ARG CA C 13 59.3443 0.0000 . 1 . . 12046 . A 9 ARG CA . 30871 1 62 . 1 . 1 9 9 ARG CB C 13 30.3674 0.0000 . 1 . . 15006 . A 9 ARG CB . 30871 1 63 . 1 . 1 9 9 ARG CG C 13 28.5440 0.0000 . 1 . . . . A 9 ARG CG . 30871 1 64 . 1 . 1 9 9 ARG CD C 13 43.4410 0.0000 . 1 . . . . A 9 ARG CD . 30871 1 65 . 1 . 1 9 9 ARG N N 15 119.1615 0.0000 . 1 . . 12038 . A 9 ARG N . 30871 1 66 . 1 . 1 10 10 TYR H H 1 8.2909 0.0000 . 1 . . . . A 10 TYR H . 30871 1 67 . 1 . 1 10 10 TYR HA H 1 4.5350 0.0000 . 1 . . . . A 10 TYR HA . 30871 1 68 . 1 . 1 10 10 TYR HB2 H 1 3.1043 0.0000 . 2 . . 14614 . A 10 TYR HB2 . 30871 1 69 . 1 . 1 10 10 TYR HB3 H 1 3.3346 0.0000 . 2 . . 14611 . A 10 TYR HB3 . 30871 1 70 . 1 . 1 10 10 TYR HD1 H 1 7.1200 0.0000 . 3 . . . . A 10 TYR HD1 . 30871 1 71 . 1 . 1 10 10 TYR HD2 H 1 7.0972 0.0000 . 3 . . . . A 10 TYR HD2 . 30871 1 72 . 1 . 1 10 10 TYR HE1 H 1 6.8008 0.0000 . 3 . . . . A 10 TYR HE1 . 30871 1 73 . 1 . 1 10 10 TYR HE2 H 1 6.8005 0.0000 . 3 . . . . A 10 TYR HE2 . 30871 1 74 . 1 . 1 10 10 TYR CA C 13 60.5544 0.0000 . 1 . . 14975 . A 10 TYR CA . 30871 1 75 . 1 . 1 10 10 TYR CB C 13 38.4560 0.0000 . 1 . . 14971 . A 10 TYR CB . 30871 1 76 . 1 . 1 10 10 TYR CD1 C 13 132.5400 0.0000 . 3 . . . . A 10 TYR CD1 . 30871 1 77 . 1 . 1 10 10 TYR CD2 C 13 133.2483 0.0000 . 3 . . . . A 10 TYR CD2 . 30871 1 78 . 1 . 1 10 10 TYR CE1 C 13 118.1607 0.0000 . 3 . . . . A 10 TYR CE1 . 30871 1 79 . 1 . 1 10 10 TYR CE2 C 13 118.1735 0.0000 . 3 . . . . A 10 TYR CE2 . 30871 1 80 . 1 . 1 10 10 TYR N N 15 121.8830 0.0000 . 1 . . . . A 10 TYR N . 30871 1 81 . 1 . 1 11 11 GLU H H 1 8.4729 0.0000 . 1 . . 2481 . A 11 GLU H . 30871 1 82 . 1 . 1 11 11 GLU HA H 1 3.9090 0.0000 . 1 . . . . A 11 GLU HA . 30871 1 83 . 1 . 1 11 11 GLU HB2 H 1 1.7370 0.0000 . 2 . . . . A 11 GLU HB2 . 30871 1 84 . 1 . 1 11 11 GLU HG2 H 1 2.4090 0.0000 . 2 . . . . A 11 GLU HG2 . 30871 1 85 . 1 . 1 11 11 GLU CA C 13 59.5905 0.0000 . 1 . . 14944 . A 11 GLU CA . 30871 1 86 . 1 . 1 11 11 GLU CB C 13 29.0176 0.0000 . 1 . . 14866 . A 11 GLU CB . 30871 1 87 . 1 . 1 11 11 GLU CG C 13 36.1950 0.0000 . 1 . . . . A 11 GLU CG . 30871 1 88 . 1 . 1 11 11 GLU N N 15 119.9538 0.0000 . 1 . . 2483 . A 11 GLU N . 30871 1 89 . 1 . 1 12 12 GLN H H 1 7.9846 0.0000 . 1 . . 1965 . A 12 GLN H . 30871 1 90 . 1 . 1 12 12 GLN HA H 1 3.9760 0.0000 . 1 . . . . A 12 GLN HA . 30871 1 91 . 1 . 1 12 12 GLN HG2 H 1 2.4670 0.0000 . 2 . . . . A 12 GLN HG2 . 30871 1 92 . 1 . 1 12 12 GLN CA C 13 58.8619 0.0000 . 1 . . 14828 . A 12 GLN CA . 30871 1 93 . 1 . 1 12 12 GLN CB C 13 28.2000 0.0000 . 1 . . 14998 . A 12 GLN CB . 30871 1 94 . 1 . 1 12 12 GLN CG C 13 34.1760 0.0000 . 1 . . . . A 12 GLN CG . 30871 1 95 . 1 . 1 12 12 GLN N N 15 117.7186 0.0000 . 1 . . 1967 . A 12 GLN N . 30871 1 96 . 1 . 1 13 13 CYS H H 1 8.1956 0.0000 . 1 . . 2298 . A 13 CYS H . 30871 1 97 . 1 . 1 13 13 CYS HA H 1 4.1880 0.0000 . 1 . . . . A 13 CYS HA . 30871 1 98 . 1 . 1 13 13 CYS HB2 H 1 3.0830 0.0000 . 2 . . . . A 13 CYS HB2 . 30871 1 99 . 1 . 1 13 13 CYS HB3 H 1 3.4790 0.0000 . 2 . . . . A 13 CYS HB3 . 30871 1 100 . 1 . 1 13 13 CYS CA C 13 60.0466 0.0000 . 1 . . 14974 . A 13 CYS CA . 30871 1 101 . 1 . 1 13 13 CYS CB C 13 37.1277 0.0000 . 1 . . 14972 . A 13 CYS CB . 30871 1 102 . 1 . 1 13 13 CYS N N 15 120.4028 0.0000 . 1 . . 2300 . A 13 CYS N . 30871 1 103 . 1 . 1 14 14 GLN H H 1 8.4032 0.0000 . 1 . . . . A 14 GLN H . 30871 1 104 . 1 . 1 14 14 GLN HA H 1 3.8200 0.0000 . 1 . . 14509 . A 14 GLN HA . 30871 1 105 . 1 . 1 14 14 GLN HB2 H 1 1.7370 0.0000 . 2 . . 14524 . A 14 GLN HB2 . 30871 1 106 . 1 . 1 14 14 GLN HG2 H 1 2.0160 0.0000 . 2 . . . . A 14 GLN HG2 . 30871 1 107 . 1 . 1 14 14 GLN CA C 13 59.0354 0.0000 . 1 . . 15829 . A 14 GLN CA . 30871 1 108 . 1 . 1 14 14 GLN CB C 13 27.9830 0.0000 . 1 . . 15831 . A 14 GLN CB . 30871 1 109 . 1 . 1 14 14 GLN CG C 13 32.8080 0.0000 . 1 . . 13870 . A 14 GLN CG . 30871 1 110 . 1 . 1 14 14 GLN N N 15 118.2346 0.0000 . 1 . . . . A 14 GLN N . 30871 1 111 . 1 . 1 15 15 GLN H H 1 8.0206 0.0000 . 1 . . 4403 . A 15 GLN H . 30871 1 112 . 1 . 1 15 15 GLN HA H 1 4.0100 0.0000 . 1 . . . . A 15 GLN HA . 30871 1 113 . 1 . 1 15 15 GLN HB2 H 1 2.1870 0.0000 . 2 . . 14617 . A 15 GLN HB2 . 30871 1 114 . 1 . 1 15 15 GLN HB3 H 1 2.7340 0.0000 . 2 . . . . A 15 GLN HB3 . 30871 1 115 . 1 . 1 15 15 GLN HG2 H 1 2.5010 0.0000 . 2 . . 14617 . A 15 GLN HG2 . 30871 1 116 . 1 . 1 15 15 GLN HE21 H 1 7.2748 0.0000 . 2 . . . . A 15 GLN HE21 . 30871 1 117 . 1 . 1 15 15 GLN HE22 H 1 6.9911 0.0000 . 2 . . . . A 15 GLN HE22 . 30871 1 118 . 1 . 1 15 15 GLN CA C 13 59.0207 0.0000 . 1 . . . . A 15 GLN CA . 30871 1 119 . 1 . 1 15 15 GLN CB C 13 27.9981 0.0000 . 1 . . 15070 . A 15 GLN CB . 30871 1 120 . 1 . 1 15 15 GLN CG C 13 34.1110 0.0000 . 1 . . 13990 . A 15 GLN CG . 30871 1 121 . 1 . 1 15 15 GLN N N 15 118.6472 0.0000 . 1 . . 4405 . A 15 GLN N . 30871 1 122 . 1 . 1 15 15 GLN NE2 N 15 112.5405 0.0000 . 1 . . . . A 15 GLN NE2 . 30871 1 123 . 1 . 1 16 16 GLN H H 1 7.8814 0.0000 . 1 . . 2721 . A 16 GLN H . 30871 1 124 . 1 . 1 16 16 GLN HA H 1 4.0940 0.0000 . 1 . . 14638 . A 16 GLN HA . 30871 1 125 . 1 . 1 16 16 GLN HB2 H 1 2.4970 0.0000 . 2 . . 14653 . A 16 GLN HB2 . 30871 1 126 . 1 . 1 16 16 GLN HG2 H 1 2.4970 0.0000 . 2 . . . . A 16 GLN HG2 . 30871 1 127 . 1 . 1 16 16 GLN CA C 13 58.4751 0.0000 . 1 . . 14810 . A 16 GLN CA . 30871 1 128 . 1 . 1 16 16 GLN CB C 13 27.4365 0.0000 . 1 . . 14806 . A 16 GLN CB . 30871 1 129 . 1 . 1 16 16 GLN CG C 13 33.9770 0.0000 . 1 . . 14023 . A 16 GLN CG . 30871 1 130 . 1 . 1 16 16 GLN N N 15 118.0511 0.0000 . 1 . . 2723 . A 16 GLN N . 30871 1 131 . 1 . 1 17 17 CYS H H 1 7.8876 0.0000 . 1 . . 2739 . A 17 CYS H . 30871 1 132 . 1 . 1 17 17 CYS HA H 1 4.6030 0.0000 . 1 . . 14578 . A 17 CYS HA . 30871 1 133 . 1 . 1 17 17 CYS HB2 H 1 3.0240 0.0000 . 2 . . 14593 . A 17 CYS HB2 . 30871 1 134 . 1 . 1 17 17 CYS HB3 H 1 3.0134 0.0000 . 2 . . . . A 17 CYS HB3 . 30871 1 135 . 1 . 1 17 17 CYS CA C 13 55.6371 0.0000 . 1 . . 14834 . A 17 CYS CA . 30871 1 136 . 1 . 1 17 17 CYS CB C 13 35.9052 0.0000 . 1 . . 14838 . A 17 CYS CB . 30871 1 137 . 1 . 1 17 17 CYS N N 15 116.6046 0.0000 . 1 . . 2741 . A 17 CYS N . 30871 1 138 . 1 . 1 18 18 GLU H H 1 7.8014 0.0000 . 1 . . 5701 . A 18 GLU H . 30871 1 139 . 1 . 1 18 18 GLU HA H 1 4.1550 0.0000 . 1 . . . . A 18 GLU HA . 30871 1 140 . 1 . 1 18 18 GLU HG2 H 1 2.3190 0.0000 . 2 . . . . A 18 GLU HG2 . 30871 1 141 . 1 . 1 18 18 GLU HG3 H 1 2.3530 0.0000 . 2 . . . . A 18 GLU HG3 . 30871 1 142 . 1 . 1 18 18 GLU CA C 13 58.0447 0.0000 . 1 . . 11452 . A 18 GLU CA . 30871 1 143 . 1 . 1 18 18 GLU CB C 13 29.5110 0.0000 . 1 . . 11450 . A 18 GLU CB . 30871 1 144 . 1 . 1 18 18 GLU CG C 13 36.5250 0.0000 . 1 . . . . A 18 GLU CG . 30871 1 145 . 1 . 1 18 18 GLU N N 15 118.3240 0.0000 . 1 . . 5703 . A 18 GLU N . 30871 1 146 . 1 . 1 19 19 ARG H H 1 7.8146 0.0000 . 1 . . . . A 19 ARG H . 30871 1 147 . 1 . 1 19 19 ARG HA H 1 4.1770 0.0000 . 1 . . 14587 . A 19 ARG HA . 30871 1 148 . 1 . 1 19 19 ARG HB2 H 1 1.7260 0.0000 . 2 . . 14602 . A 19 ARG HB2 . 30871 1 149 . 1 . 1 19 19 ARG HB3 H 1 1.9160 0.0000 . 2 . . . . A 19 ARG HB3 . 30871 1 150 . 1 . 1 19 19 ARG HG2 H 1 1.7410 0.0000 . 2 . . . . A 19 ARG HG2 . 30871 1 151 . 1 . 1 19 19 ARG HD2 H 1 3.2330 0.0000 . 2 . . 14590 . A 19 ARG HD2 . 30871 1 152 . 1 . 1 19 19 ARG CA C 13 57.8800 0.0000 . 1 . . 5501 . A 19 ARG CA . 30871 1 153 . 1 . 1 19 19 ARG CB C 13 30.6060 0.0000 . 1 . . 2011 . A 19 ARG CB . 30871 1 154 . 1 . 1 19 19 ARG CG C 13 27.4420 0.0000 . 1 . . 13975 . A 19 ARG CG . 30871 1 155 . 1 . 1 19 19 ARG CD C 13 43.5200 0.0000 . 1 . . 13957 . A 19 ARG CD . 30871 1 156 . 1 . 1 19 19 ARG N N 15 118.4345 0.0000 . 1 . . . . A 19 ARG N . 30871 1 157 . 1 . 1 20 20 GLN H H 1 7.9741 0.0000 . 1 . . 2715 . A 20 GLN H . 30871 1 158 . 1 . 1 20 20 GLN HA H 1 4.2620 0.0000 . 1 . . 14485 . A 20 GLN HA . 30871 1 159 . 1 . 1 20 20 GLN HG2 H 1 2.3670 0.0000 . 2 . . 14503 . A 20 GLN HG2 . 30871 1 160 . 1 . 1 20 20 GLN CA C 13 56.9567 0.0000 . 1 . . 14896 . A 20 GLN CA . 30871 1 161 . 1 . 1 20 20 GLN CB C 13 29.9071 0.0000 . 1 . . 14894 . A 20 GLN CB . 30871 1 162 . 1 . 1 20 20 GLN CG C 13 36.4880 0.0000 . 1 . . 13846 . A 20 GLN CG . 30871 1 163 . 1 . 1 20 20 GLN N N 15 118.4183 0.0000 . 1 . . 2717 . A 20 GLN N . 30871 1 164 . 1 . 1 21 21 ARG H H 1 7.8594 0.0000 . 1 . . 11784 . A 21 ARG H . 30871 1 165 . 1 . 1 21 21 ARG HA H 1 4.2440 0.0000 . 1 . . . . A 21 ARG HA . 30871 1 166 . 1 . 1 21 21 ARG HB2 H 1 1.7670 0.0000 . 2 . . . . A 21 ARG HB2 . 30871 1 167 . 1 . 1 21 21 ARG HD2 H 1 3.2370 0.0000 . 2 . . . . A 21 ARG HD2 . 30871 1 168 . 1 . 1 21 21 ARG CA C 13 56.3267 0.0000 . 1 . . 12324 . A 21 ARG CA . 30871 1 169 . 1 . 1 21 21 ARG CB C 13 30.5781 0.0000 . 1 . . 11803 . A 21 ARG CB . 30871 1 170 . 1 . 1 21 21 ARG CG C 13 27.3880 0.0000 . 1 . . . . A 21 ARG CG . 30871 1 171 . 1 . 1 21 21 ARG CD C 13 43.4340 0.0000 . 1 . . . . A 21 ARG CD . 30871 1 172 . 1 . 1 21 21 ARG N N 15 119.8706 0.0000 . 1 . . 11786 . A 21 ARG N . 30871 1 173 . 1 . 1 22 22 ARG H H 1 8.3588 0.0000 . 1 . . . . A 22 ARG H . 30871 1 174 . 1 . 1 22 22 ARG HB2 H 1 1.7760 0.0000 . 2 . . . . A 22 ARG HB2 . 30871 1 175 . 1 . 1 22 22 ARG HD2 H 1 3.2480 0.0000 . 2 . . . . A 22 ARG HD2 . 30871 1 176 . 1 . 1 22 22 ARG CA C 13 56.8025 0.0000 . 1 . . . . A 22 ARG CA . 30871 1 177 . 1 . 1 22 22 ARG CB C 13 30.9494 0.0000 . 1 . . . . A 22 ARG CB . 30871 1 178 . 1 . 1 22 22 ARG CG C 13 27.2370 0.0000 . 1 . . . . A 22 ARG CG . 30871 1 179 . 1 . 1 22 22 ARG CD C 13 43.4350 0.0000 . 1 . . . . A 22 ARG CD . 30871 1 180 . 1 . 1 22 22 ARG N N 15 120.6188 0.0000 . 1 . . . . A 22 ARG N . 30871 1 181 . 1 . 1 23 23 GLY H H 1 8.7396 0.0000 . 1 . . . . A 23 GLY H . 30871 1 182 . 1 . 1 23 23 GLY HA2 H 1 3.7241 0.0000 . 2 . . . . A 23 GLY HA2 . 30871 1 183 . 1 . 1 23 23 GLY HA3 H 1 4.4400 0.0000 . 2 . . . . A 23 GLY HA3 . 30871 1 184 . 1 . 1 23 23 GLY CA C 13 44.6434 0.0000 . 1 . . . . A 23 GLY CA . 30871 1 185 . 1 . 1 23 23 GLY N N 15 111.0782 0.0000 . 1 . . . . A 23 GLY N . 30871 1 186 . 1 . 1 25 25 GLU H H 1 9.0212 0.0000 . 1 . . . . A 25 GLU H . 30871 1 187 . 1 . 1 25 25 GLU HA H 1 4.0590 0.0000 . 1 . . 14461 . A 25 GLU HA . 30871 1 188 . 1 . 1 25 25 GLU HB2 H 1 2.1658 0.0000 . 2 . . . . A 25 GLU HB2 . 30871 1 189 . 1 . 1 25 25 GLU HG2 H 1 2.4030 0.0000 . 2 . . 14470 . A 25 GLU HG2 . 30871 1 190 . 1 . 1 25 25 GLU CA C 13 60.0785 0.0000 . 1 . . 1876 . A 25 GLU CA . 30871 1 191 . 1 . 1 25 25 GLU CB C 13 28.7474 0.0000 . 1 . . 1888 . A 25 GLU CB . 30871 1 192 . 1 . 1 25 25 GLU CG C 13 37.1390 0.0000 . 1 . . 13813 . A 25 GLU CG . 30871 1 193 . 1 . 1 25 25 GLU N N 15 118.1255 0.0000 . 1 . . . . A 25 GLU N . 30871 1 194 . 1 . 1 26 26 GLN H H 1 7.7909 0.0000 . 1 . . 1887 . A 26 GLN H . 30871 1 195 . 1 . 1 26 26 GLN HA H 1 3.8270 0.0000 . 1 . . 14641 . A 26 GLN HA . 30871 1 196 . 1 . 1 26 26 GLN HB2 H 1 2.2030 0.0000 . 2 . . 14656 . A 26 GLN HB2 . 30871 1 197 . 1 . 1 26 26 GLN HG2 H 1 2.4580 0.0000 . 2 . . 14650 . A 26 GLN HG2 . 30871 1 198 . 1 . 1 26 26 GLN CA C 13 60.0127 0.0000 . 1 . . 14177 . A 26 GLN CA . 30871 1 199 . 1 . 1 26 26 GLN CB C 13 29.0630 0.0000 . 1 . . 14179 . A 26 GLN CB . 30871 1 200 . 1 . 1 26 26 GLN CG C 13 35.0510 0.0000 . 1 . . 14020 . A 26 GLN CG . 30871 1 201 . 1 . 1 26 26 GLN N N 15 120.1052 0.0000 . 1 . . 1889 . A 26 GLN N . 30871 1 202 . 1 . 1 27 27 THR H H 1 8.2597 0.0000 . 1 . . 2535 . A 27 THR H . 30871 1 203 . 1 . 1 27 27 THR HA H 1 3.8940 0.0000 . 1 . . 14413 . A 27 THR HA . 30871 1 204 . 1 . 1 27 27 THR HB H 1 4.2722 0.0000 . 1 . . . . A 27 THR HB . 30871 1 205 . 1 . 1 27 27 THR HG21 H 1 1.2460 0.0000 . 1 . . 14419 . A 27 THR HG21 . 30871 1 206 . 1 . 1 27 27 THR HG22 H 1 1.2460 0.0000 . 1 . . 14419 . A 27 THR HG22 . 30871 1 207 . 1 . 1 27 27 THR HG23 H 1 1.2460 0.0000 . 1 . . 14419 . A 27 THR HG23 . 30871 1 208 . 1 . 1 27 27 THR CA C 13 67.0419 0.0000 . 1 . . 14191 . A 27 THR CA . 30871 1 209 . 1 . 1 27 27 THR CB C 13 68.2054 0.0000 . 1 . . 14189 . A 27 THR CB . 30871 1 210 . 1 . 1 27 27 THR CG2 C 13 21.6860 0.0000 . 1 . . 13726 . A 27 THR CG2 . 30871 1 211 . 1 . 1 27 27 THR N N 15 116.5564 0.0000 . 1 . . 2537 . A 27 THR N . 30871 1 212 . 1 . 1 28 28 LEU H H 1 8.3872 0.0000 . 1 . . 3050 . A 28 LEU H . 30871 1 213 . 1 . 1 28 28 LEU HA H 1 4.0419 0.0000 . 1 . . . . A 28 LEU HA . 30871 1 214 . 1 . 1 28 28 LEU HB2 H 1 1.6030 0.0000 . 2 . . . . A 28 LEU HB2 . 30871 1 215 . 1 . 1 28 28 LEU HB3 H 1 1.7992 0.0000 . 2 . . . . A 28 LEU HB3 . 30871 1 216 . 1 . 1 28 28 LEU HG H 1 1.7590 0.0000 . 1 . . . . A 28 LEU HG . 30871 1 217 . 1 . 1 28 28 LEU HD11 H 1 0.9209 0.0000 . 2 . . . . A 28 LEU HD11 . 30871 1 218 . 1 . 1 28 28 LEU HD12 H 1 0.9209 0.0000 . 2 . . . . A 28 LEU HD12 . 30871 1 219 . 1 . 1 28 28 LEU HD13 H 1 0.9209 0.0000 . 2 . . . . A 28 LEU HD13 . 30871 1 220 . 1 . 1 28 28 LEU HD21 H 1 0.8772 0.0000 . 2 . . . . A 28 LEU HD21 . 30871 1 221 . 1 . 1 28 28 LEU HD22 H 1 0.8772 0.0000 . 2 . . . . A 28 LEU HD22 . 30871 1 222 . 1 . 1 28 28 LEU HD23 H 1 0.8772 0.0000 . 2 . . . . A 28 LEU HD23 . 30871 1 223 . 1 . 1 28 28 LEU CA C 13 57.9605 0.0000 . 1 . . . . A 28 LEU CA . 30871 1 224 . 1 . 1 28 28 LEU CB C 13 41.1105 0.0000 . 1 . . 15092 . A 28 LEU CB . 30871 1 225 . 1 . 1 28 28 LEU CG C 13 27.0120 0.0000 . 1 . . . . A 28 LEU CG . 30871 1 226 . 1 . 1 28 28 LEU CD1 C 13 24.5400 0.0000 . 2 . . . . A 28 LEU CD1 . 30871 1 227 . 1 . 1 28 28 LEU CD2 C 13 23.6260 0.0000 . 2 . . . . A 28 LEU CD2 . 30871 1 228 . 1 . 1 28 28 LEU N N 15 121.6499 0.0000 . 1 . . 3052 . A 28 LEU N . 30871 1 229 . 1 . 1 29 29 CYS H H 1 7.8313 0.0000 . 1 . . 9152 . A 29 CYS H . 30871 1 230 . 1 . 1 29 29 CYS HA H 1 4.2200 0.0000 . 1 . . . . A 29 CYS HA . 30871 1 231 . 1 . 1 29 29 CYS HB2 H 1 3.0610 0.0000 . 2 . . . . A 29 CYS HB2 . 30871 1 232 . 1 . 1 29 29 CYS HB3 H 1 3.4875 0.0000 . 2 . . . . A 29 CYS HB3 . 30871 1 233 . 1 . 1 29 29 CYS CA C 13 60.1463 0.0000 . 1 . . 9168 . A 29 CYS CA . 30871 1 234 . 1 . 1 29 29 CYS CB C 13 35.4144 0.0000 . 1 . . 9162 . A 29 CYS CB . 30871 1 235 . 1 . 1 29 29 CYS N N 15 118.7165 0.0000 . 1 . . 9154 . A 29 CYS N . 30871 1 236 . 1 . 1 30 30 ARG H H 1 8.3920 0.0000 . 1 . . 3772 . A 30 ARG H . 30871 1 237 . 1 . 1 30 30 ARG HA H 1 4.1480 0.0000 . 1 . . . . A 30 ARG HA . 30871 1 238 . 1 . 1 30 30 ARG HB2 H 1 1.9190 0.0000 . 2 . . . . A 30 ARG HB2 . 30871 1 239 . 1 . 1 30 30 ARG HG2 H 1 1.7050 0.0000 . 2 . . . . A 30 ARG HG2 . 30871 1 240 . 1 . 1 30 30 ARG HD2 H 1 3.1440 0.0000 . 2 . . . . A 30 ARG HD2 . 30871 1 241 . 1 . 1 30 30 ARG CA C 13 60.4897 0.0000 . 1 . . 11645 . A 30 ARG CA . 30871 1 242 . 1 . 1 30 30 ARG CB C 13 29.7395 0.0000 . 1 . . 11643 . A 30 ARG CB . 30871 1 243 . 1 . 1 30 30 ARG CG C 13 27.1280 0.0000 . 1 . . . . A 30 ARG CG . 30871 1 244 . 1 . 1 30 30 ARG CD C 13 43.5890 0.0000 . 1 . . . . A 30 ARG CD . 30871 1 245 . 1 . 1 30 30 ARG N N 15 119.7505 0.0000 . 1 . . 3774 . A 30 ARG N . 30871 1 246 . 1 . 1 31 31 ARG H H 1 8.0850 0.0000 . 1 . . . . A 31 ARG H . 30871 1 247 . 1 . 1 31 31 ARG HA H 1 4.1810 0.0000 . 1 . . . . A 31 ARG HA . 30871 1 248 . 1 . 1 31 31 ARG HB2 H 1 1.9880 0.0000 . 2 . . . . A 31 ARG HB2 . 30871 1 249 . 1 . 1 31 31 ARG HG2 H 1 1.7840 0.0000 . 2 . . . . A 31 ARG HG2 . 30871 1 250 . 1 . 1 31 31 ARG HD2 H 1 3.2040 0.0000 . 2 . . . . A 31 ARG HD2 . 30871 1 251 . 1 . 1 31 31 ARG CA C 13 59.0840 0.0000 . 1 . . 15837 . A 31 ARG CA . 30871 1 252 . 1 . 1 31 31 ARG CB C 13 29.8045 0.0000 . 1 . . 10790 . A 31 ARG CB . 30871 1 253 . 1 . 1 31 31 ARG CG C 13 27.1280 0.0000 . 1 . . 13798 . A 31 ARG CG . 30871 1 254 . 1 . 1 31 31 ARG CD C 13 43.5890 0.0000 . 1 . . 13783 . A 31 ARG CD . 30871 1 255 . 1 . 1 31 31 ARG N N 15 119.3827 0.0000 . 1 . . . . A 31 ARG N . 30871 1 256 . 1 . 1 32 32 ARG H H 1 8.0945 0.0000 . 1 . . 10780 . A 32 ARG H . 30871 1 257 . 1 . 1 32 32 ARG HA H 1 4.2300 0.0000 . 1 . . 14431 . A 32 ARG HA . 30871 1 258 . 1 . 1 32 32 ARG HB2 H 1 1.9060 0.0000 . 2 . . 14446 . A 32 ARG HB2 . 30871 1 259 . 1 . 1 32 32 ARG HB3 H 1 1.6940 0.0000 . 2 . . . . A 32 ARG HB3 . 30871 1 260 . 1 . 1 32 32 ARG HG2 H 1 1.4290 0.0000 . 2 . . 14446 . A 32 ARG HG2 . 30871 1 261 . 1 . 1 32 32 ARG HD2 H 1 3.2380 0.0000 . 2 . . 14434 . A 32 ARG HD2 . 30871 1 262 . 1 . 1 32 32 ARG CA C 13 59.4460 0.0000 . 1 . . 15842 . A 32 ARG CA . 30871 1 263 . 1 . 1 32 32 ARG CB C 13 29.6990 0.0000 . 1 . . 15844 . A 32 ARG CB . 30871 1 264 . 1 . 1 32 32 ARG CG C 13 28.0570 0.0000 . 1 . . 13774 . A 32 ARG CG . 30871 1 265 . 1 . 1 32 32 ARG CD C 13 43.3860 0.0000 . 1 . . 13753 . A 32 ARG CD . 30871 1 266 . 1 . 1 32 32 ARG N N 15 119.4649 0.0000 . 1 . . 10782 . A 32 ARG N . 30871 1 267 . 1 . 1 33 33 CYS H H 1 8.0704 0.0000 . 1 . . 2253 . A 33 CYS H . 30871 1 268 . 1 . 1 33 33 CYS HA H 1 4.5150 0.0000 . 1 . . 14425 . A 33 CYS HA . 30871 1 269 . 1 . 1 33 33 CYS HB2 H 1 3.0872 0.0000 . 2 . . . . A 33 CYS HB2 . 30871 1 270 . 1 . 1 33 33 CYS HB3 H 1 3.2959 0.0000 . 2 . . . . A 33 CYS HB3 . 30871 1 271 . 1 . 1 33 33 CYS CA C 13 56.5820 0.0000 . 1 . . 13729 . A 33 CYS CA . 30871 1 272 . 1 . 1 33 33 CYS CB C 13 36.5290 0.0000 . 1 . . 13759 . A 33 CYS CB . 30871 1 273 . 1 . 1 33 33 CYS N N 15 116.6124 0.0000 . 1 . . 2255 . A 33 CYS N . 30871 1 274 . 1 . 1 34 34 GLU H H 1 8.2844 0.0000 . 1 . . 3164 . A 34 GLU H . 30871 1 275 . 1 . 1 34 34 GLU HA H 1 4.2630 0.0000 . 1 . . 14482 . A 34 GLU HA . 30871 1 276 . 1 . 1 34 34 GLU HB2 H 1 2.3250 0.0000 . 2 . . 14500 . A 34 GLU HB2 . 30871 1 277 . 1 . 1 34 34 GLU HG2 H 1 2.5090 0.0000 . 2 . . 14500 . A 34 GLU HG2 . 30871 1 278 . 1 . 1 34 34 GLU HG3 H 1 2.7110 0.0000 . 2 . . . . A 34 GLU HG3 . 30871 1 279 . 1 . 1 34 34 GLU CA C 13 59.2008 0.0000 . 1 . . 14141 . A 34 GLU CA . 30871 1 280 . 1 . 1 34 34 GLU CB C 13 29.4892 0.0000 . 1 . . 14143 . A 34 GLU CB . 30871 1 281 . 1 . 1 34 34 GLU CG C 13 36.3310 0.0000 . 1 . . 13843 . A 34 GLU CG . 30871 1 282 . 1 . 1 34 34 GLU N N 15 121.0666 0.0000 . 1 . . 3166 . A 34 GLU N . 30871 1 283 . 1 . 1 35 35 GLN H H 1 8.0725 0.0000 . 1 . . 1896 . A 35 GLN H . 30871 1 284 . 1 . 1 35 35 GLN HA H 1 4.0860 0.0000 . 1 . . 14587 . A 35 GLN HA . 30871 1 285 . 1 . 1 35 35 GLN HB2 H 1 2.4980 0.0000 . 2 . . . . A 35 GLN HB2 . 30871 1 286 . 1 . 1 35 35 GLN HB3 H 1 2.3940 0.0000 . 2 . . 14623 . A 35 GLN HB3 . 30871 1 287 . 1 . 1 35 35 GLN HG2 H 1 2.4500 0.0000 . 2 . . 14623 . A 35 GLN HG2 . 30871 1 288 . 1 . 1 35 35 GLN CA C 13 57.9586 0.0000 . 1 . . 14163 . A 35 GLN CA . 30871 1 289 . 1 . 1 35 35 GLN CB C 13 28.3139 0.0000 . 1 . . 14161 . A 35 GLN CB . 30871 1 290 . 1 . 1 35 35 GLN CG C 13 33.5320 0.0000 . 1 . . . . A 35 GLN CG . 30871 1 291 . 1 . 1 35 35 GLN N N 15 116.8263 0.0000 . 1 . . 1898 . A 35 GLN N . 30871 1 292 . 1 . 1 36 36 ARG H H 1 8.3509 0.0000 . 1 . . 2445 . A 36 ARG H . 30871 1 293 . 1 . 1 36 36 ARG HA H 1 4.0400 0.0000 . 1 . . . . A 36 ARG HA . 30871 1 294 . 1 . 1 36 36 ARG HB2 H 1 2.0990 0.0000 . 2 . . . . A 36 ARG HB2 . 30871 1 295 . 1 . 1 36 36 ARG CA C 13 58.3653 0.0000 . 1 . . 15832 . A 36 ARG CA . 30871 1 296 . 1 . 1 36 36 ARG CB C 13 29.5856 0.0000 . 1 . . 15834 . A 36 ARG CB . 30871 1 297 . 1 . 1 36 36 ARG N N 15 118.6894 0.0000 . 1 . . 2447 . A 36 ARG N . 30871 1 298 . 1 . 1 38 38 GLN HA H 1 4.2160 0.0000 . 1 . . . . A 38 GLN HA . 30871 1 299 . 1 . 1 38 38 GLN HG2 H 1 2.4480 0.0000 . 2 . . . . A 38 GLN HG2 . 30871 1 300 . 1 . 1 38 38 GLN CA C 13 59.3683 0.0000 . 1 . . . . A 38 GLN CA . 30871 1 301 . 1 . 1 38 38 GLN CB C 13 29.5445 0.0000 . 1 . . . . A 38 GLN CB . 30871 1 302 . 1 . 1 38 38 GLN CG C 13 35.6500 0.0000 . 1 . . . . A 38 GLN CG . 30871 1 303 . 1 . 1 39 39 GLN H H 1 8.5154 0.0000 . 1 . . . . A 39 GLN H . 30871 1 304 . 1 . 1 39 39 GLN HA H 1 4.0970 0.0000 . 1 . . . . A 39 GLN HA . 30871 1 305 . 1 . 1 39 39 GLN HB2 H 1 2.2850 0.0000 . 2 . . . . A 39 GLN HB2 . 30871 1 306 . 1 . 1 39 39 GLN HG2 H 1 2.5430 0.0000 . 2 . . 14623 . A 39 GLN HG2 . 30871 1 307 . 1 . 1 39 39 GLN HG3 H 1 2.4080 0.0000 . 2 . . . . A 39 GLN HG3 . 30871 1 308 . 1 . 1 39 39 GLN CA C 13 58.7762 0.0000 . 1 . . 14743 . A 39 GLN CA . 30871 1 309 . 1 . 1 39 39 GLN CB C 13 28.2925 0.0000 . 1 . . 15863 . A 39 GLN CB . 30871 1 310 . 1 . 1 39 39 GLN CG C 13 34.1240 0.0000 . 1 . . 13996 . A 39 GLN CG . 30871 1 311 . 1 . 1 39 39 GLN N N 15 119.3467 0.0000 . 1 . . . . A 39 GLN N . 30871 1 312 . 1 . 1 40 40 GLU H H 1 8.2265 0.0000 . 1 . . 6189 . A 40 GLU H . 30871 1 313 . 1 . 1 40 40 GLU HA H 1 4.1100 0.0000 . 1 . . 14542 . A 40 GLU HA . 30871 1 314 . 1 . 1 40 40 GLU HB2 H 1 2.4500 0.0000 . 2 . . 14554 . A 40 GLU HB2 . 30871 1 315 . 1 . 1 40 40 GLU HG2 H 1 2.5600 0.0000 . 2 . . 14554 . A 40 GLU HG2 . 30871 1 316 . 1 . 1 40 40 GLU HG3 H 1 2.2830 0.0000 . 2 . . . . A 40 GLU HG3 . 30871 1 317 . 1 . 1 40 40 GLU CA C 13 58.6808 0.0000 . 1 . . 15000 . A 40 GLU CA . 30871 1 318 . 1 . 1 40 40 GLU CB C 13 29.4694 0.0000 . 1 . . 15076 . A 40 GLU CB . 30871 1 319 . 1 . 1 40 40 GLU CG C 13 37.0670 0.0000 . 1 . . 13924 . A 40 GLU CG . 30871 1 320 . 1 . 1 40 40 GLU N N 15 118.4223 0.0000 . 1 . . 6191 . A 40 GLU N . 30871 1 321 . 1 . 1 41 41 GLU H H 1 8.2406 0.0000 . 1 . . 2430 . A 41 GLU H . 30871 1 322 . 1 . 1 41 41 GLU HA H 1 4.0050 0.0000 . 1 . . 14665 . A 41 GLU HA . 30871 1 323 . 1 . 1 41 41 GLU HB2 H 1 2.3870 0.0000 . 2 . . 14668 . A 41 GLU HB2 . 30871 1 324 . 1 . 1 41 41 GLU HG2 H 1 2.3870 0.0000 . 2 . . 14668 . A 41 GLU HG2 . 30871 1 325 . 1 . 1 41 41 GLU CA C 13 58.1714 0.0000 . 1 . . 14207 . A 41 GLU CA . 30871 1 326 . 1 . 1 41 41 GLU CB C 13 29.4084 0.0000 . 1 . . 14211 . A 41 GLU CB . 30871 1 327 . 1 . 1 41 41 GLU CG C 13 36.1280 0.0000 . 1 . . 14044 . A 41 GLU CG . 30871 1 328 . 1 . 1 41 41 GLU N N 15 118.4168 0.0000 . 1 . . 2432 . A 41 GLU N . 30871 1 329 . 1 . 1 42 42 ARG H H 1 7.4454 0.0000 . 1 . . 2565 . A 42 ARG H . 30871 1 330 . 1 . 1 42 42 ARG HA H 1 4.3260 0.0000 . 1 . . 14632 . A 42 ARG HA . 30871 1 331 . 1 . 1 42 42 ARG HB2 H 1 1.9670 0.0000 . 2 . . . . A 42 ARG HB2 . 30871 1 332 . 1 . 1 42 42 ARG HG2 H 1 1.7850 0.0000 . 2 . . 14662 . A 42 ARG HG2 . 30871 1 333 . 1 . 1 42 42 ARG HD2 H 1 3.2310 0.0000 . 2 . . 14647 . A 42 ARG HD2 . 30871 1 334 . 1 . 1 42 42 ARG CA C 13 56.0888 0.0000 . 1 . . 14203 . A 42 ARG CA . 30871 1 335 . 1 . 1 42 42 ARG CB C 13 30.4970 0.0000 . 1 . . 14205 . A 42 ARG CB . 30871 1 336 . 1 . 1 42 42 ARG CG C 13 27.5120 0.0000 . 1 . . 14035 . A 42 ARG CG . 30871 1 337 . 1 . 1 42 42 ARG CD C 13 43.4960 0.0000 . 1 . . 14017 . A 42 ARG CD . 30871 1 338 . 1 . 1 42 42 ARG N N 15 113.8621 0.0000 . 1 . . 2567 . A 42 ARG N . 30871 1 339 . 1 . 1 43 43 GLU H H 1 7.5657 0.0000 . 1 . . 2745 . A 43 GLU H . 30871 1 340 . 1 . 1 43 43 GLU HA H 1 4.3740 0.0000 . 1 . . 14476 . A 43 GLU HA . 30871 1 341 . 1 . 1 43 43 GLU HB2 H 1 2.4640 0.0000 . 2 . . 14494 . A 43 GLU HB2 . 30871 1 342 . 1 . 1 43 43 GLU HG2 H 1 2.4640 0.0000 . 2 . . 14494 . A 43 GLU HG2 . 30871 1 343 . 1 . 1 43 43 GLU CA C 13 54.7136 0.0000 . 1 . . 14175 . A 43 GLU CA . 30871 1 344 . 1 . 1 43 43 GLU CB C 13 28.8444 0.0000 . 1 . . 13858 . A 43 GLU CB . 30871 1 345 . 1 . 1 43 43 GLU CG C 13 34.1070 0.0000 . 1 . . . . A 43 GLU CG . 30871 1 346 . 1 . 1 43 43 GLU N N 15 116.5925 0.0000 . 1 . . 2747 . A 43 GLU N . 30871 1 347 . 1 . 1 44 44 ARG H H 1 8.3743 0.0000 . 1 . . 3790 . A 44 ARG H . 30871 1 348 . 1 . 1 44 44 ARG HA H 1 4.3550 0.0000 . 1 . . 14380 . A 44 ARG HA . 30871 1 349 . 1 . 1 44 44 ARG HB2 H 1 1.8740 0.0000 . 2 . . . . A 44 ARG HB2 . 30871 1 350 . 1 . 1 44 44 ARG HG2 H 1 1.7434 0.0000 . 2 . . 14386 . A 44 ARG HG2 . 30871 1 351 . 1 . 1 44 44 ARG HG3 H 1 1.6366 0.0000 . 2 . . . . A 44 ARG HG3 . 30871 1 352 . 1 . 1 44 44 ARG HD2 H 1 3.2310 0.0000 . 2 . . 14383 . A 44 ARG HD2 . 30871 1 353 . 1 . 1 44 44 ARG CA C 13 56.1374 0.0000 . 1 . . 14908 . A 44 ARG CA . 30871 1 354 . 1 . 1 44 44 ARG CB C 13 30.5452 0.0000 . 1 . . 14904 . A 44 ARG CB . 30871 1 355 . 1 . 1 44 44 ARG CG C 13 27.0520 0.0000 . 1 . . 13693 . A 44 ARG CG . 30871 1 356 . 1 . 1 44 44 ARG CD C 13 43.5640 0.0000 . 1 . . 13687 . A 44 ARG CD . 30871 1 357 . 1 . 1 44 44 ARG N N 15 119.8467 0.0000 . 1 . . 3792 . A 44 ARG N . 30871 1 358 . 1 . 1 45 45 GLN H H 1 7.9044 0.0000 . 1 . . 2937 . A 45 GLN H . 30871 1 359 . 1 . 1 45 45 GLN CA C 13 57.0860 0.0000 . 1 . . 14890 . A 45 GLN CA . 30871 1 360 . 1 . 1 45 45 GLN CB C 13 30.2061 0.0000 . 1 . . 14892 . A 45 GLN CB . 30871 1 361 . 1 . 1 45 45 GLN N N 15 125.7421 0.0000 . 1 . . 2939 . A 45 GLN N . 30871 1 stop_ save_