################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17641 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err 0.020 _Assigned_chem_shift_list.Chem_shift_15N_err 0.020 _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' . . . 17641 1 2 '3D HNCACB' . . . 17641 1 3 '3D CBCA(CO)NH' . . . 17641 1 4 '3D 1H-15N NOESY' . . . 17641 1 5 '3D 1H-15N TOCSY' . . . 17641 1 6 '3D HNCA' . . . 17641 1 7 '3D HN(CO)CA' . . . 17641 1 8 '3D HBHA(CO)NH' . . . 17641 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.423 0.002 . 1 . . . . 2 GLU HA . 17641 1 2 . 1 1 2 2 GLU HB2 H 1 2.108 0.002 . 2 . . . . 2 GLU HB2 . 17641 1 3 . 1 1 2 2 GLU HB3 H 1 1.968 0.002 . 2 . . . . 2 GLU HB3 . 17641 1 4 . 1 1 2 2 GLU CA C 13 56.678 0.020 . 1 . . . . 2 GLU CA . 17641 1 5 . 1 1 2 2 GLU CB C 13 30.447 0.020 . 1 . . . . 2 GLU CB . 17641 1 6 . 1 1 3 3 SER H H 1 8.374 0.002 . 1 . . . . 3 SER HN . 17641 1 7 . 1 1 3 3 SER HA H 1 4.529 0.002 . 1 . . . . 3 SER HA . 17641 1 8 . 1 1 3 3 SER HB2 H 1 3.881 0.002 . 2 . . . . 3 SER QB . 17641 1 9 . 1 1 3 3 SER HB3 H 1 3.881 0.002 . 2 . . . . 3 SER QB . 17641 1 10 . 1 1 3 3 SER CA C 13 58.212 0.020 . 1 . . . . 3 SER CA . 17641 1 11 . 1 1 3 3 SER CB C 13 64.080 0.020 . 1 . . . . 3 SER CB . 17641 1 12 . 1 1 3 3 SER N N 15 116.855 0.020 . 1 . . . . 3 SER N . 17641 1 13 . 1 1 4 4 SER H H 1 8.340 0.002 . 1 . . . . 4 SER HN . 17641 1 14 . 1 1 4 4 SER HA H 1 4.571 0.002 . 1 . . . . 4 SER HA . 17641 1 15 . 1 1 4 4 SER HB2 H 1 3.946 0.002 . 2 . . . . 4 SER HB2 . 17641 1 16 . 1 1 4 4 SER HB3 H 1 3.885 0.002 . 2 . . . . 4 SER HB3 . 17641 1 17 . 1 1 4 4 SER CA C 13 58.344 0.020 . 1 . . . . 4 SER CA . 17641 1 18 . 1 1 4 4 SER CB C 13 64.219 0.020 . 1 . . . . 4 SER CB . 17641 1 19 . 1 1 4 4 SER N N 15 117.700 0.020 . 1 . . . . 4 SER N . 17641 1 20 . 1 1 5 5 THR H H 1 8.176 0.002 . 1 . . . . 5 THR HN . 17641 1 21 . 1 1 5 5 THR HA H 1 4.385 0.002 . 1 . . . . 5 THR HA . 17641 1 22 . 1 1 5 5 THR HB H 1 4.297 0.002 . 1 . . . . 5 THR HB . 17641 1 23 . 1 1 5 5 THR CA C 13 62.037 0.020 . 1 . . . . 5 THR CA . 17641 1 24 . 1 1 5 5 THR CB C 13 69.758 0.020 . 1 . . . . 5 THR CB . 17641 1 25 . 1 1 5 5 THR N N 15 114.939 0.020 . 1 . . . . 5 THR N . 17641 1 26 . 1 1 6 6 ASP H H 1 8.166 0.002 . 1 . . . . 6 ASP HN . 17641 1 27 . 1 1 6 6 ASP HA H 1 4.615 0.002 . 1 . . . . 6 ASP HA . 17641 1 28 . 1 1 6 6 ASP HB2 H 1 2.684 0.002 . 2 . . . . 6 ASP QB . 17641 1 29 . 1 1 6 6 ASP HB3 H 1 2.684 0.002 . 2 . . . . 6 ASP QB . 17641 1 30 . 1 1 6 6 ASP CA C 13 54.902 0.020 . 1 . . . . 6 ASP CA . 17641 1 31 . 1 1 6 6 ASP CB C 13 41.306 0.020 . 1 . . . . 6 ASP CB . 17641 1 32 . 1 1 6 6 ASP N N 15 122.376 0.020 . 1 . . . . 6 ASP N . 17641 1 33 . 1 1 7 7 GLY H H 1 8.224 0.002 . 1 . . . . 7 GLY HN . 17641 1 34 . 1 1 7 7 GLY HA2 H 1 3.941 0.002 . 2 . . . . 7 GLY QA . 17641 1 35 . 1 1 7 7 GLY HA3 H 1 3.941 0.002 . 2 . . . . 7 GLY QA . 17641 1 36 . 1 1 7 7 GLY CA C 13 45.670 0.020 . 1 . . . . 7 GLY CA . 17641 1 37 . 1 1 7 7 GLY N N 15 108.506 0.020 . 1 . . . . 7 GLY N . 17641 1 38 . 1 1 8 8 GLN H H 1 8.056 0.002 . 1 . . . . 8 GLN HN . 17641 1 39 . 1 1 8 8 GLN HA H 1 4.366 0.002 . 1 . . . . 8 GLN HA . 17641 1 40 . 1 1 8 8 GLN HB2 H 1 2.087 0.002 . 2 . . . . 8 GLN HB2 . 17641 1 41 . 1 1 8 8 GLN HB3 H 1 1.982 0.002 . 2 . . . . 8 GLN HB3 . 17641 1 42 . 1 1 8 8 GLN HG2 H 1 2.310 0.002 . 2 . . . . 8 GLN QG . 17641 1 43 . 1 1 8 8 GLN HG3 H 1 2.310 0.002 . 2 . . . . 8 GLN QG . 17641 1 44 . 1 1 8 8 GLN CA C 13 55.992 0.020 . 1 . . . . 8 GLN CA . 17641 1 45 . 1 1 8 8 GLN CB C 13 29.666 0.020 . 1 . . . . 8 GLN CB . 17641 1 46 . 1 1 8 8 GLN N N 15 119.686 0.020 . 1 . . . . 8 GLN N . 17641 1 47 . 1 1 9 9 VAL H H 1 8.067 0.002 . 1 . . . . 9 VAL HN . 17641 1 48 . 1 1 9 9 VAL HA H 1 4.130 0.002 . 1 . . . . 9 VAL HA . 17641 1 49 . 1 1 9 9 VAL HB H 1 2.034 0.002 . 1 . . . . 9 VAL HB . 17641 1 50 . 1 1 9 9 VAL HG11 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 51 . 1 1 9 9 VAL HG12 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 52 . 1 1 9 9 VAL HG13 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 53 . 1 1 9 9 VAL HG21 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 54 . 1 1 9 9 VAL HG22 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 55 . 1 1 9 9 VAL HG23 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 56 . 1 1 9 9 VAL CA C 13 62.540 0.020 . 1 . . . . 9 VAL CA . 17641 1 57 . 1 1 9 9 VAL CB C 13 32.768 0.020 . 1 . . . . 9 VAL CB . 17641 1 58 . 1 1 9 9 VAL N N 15 121.676 0.020 . 1 . . . . 9 VAL N . 17641 1 59 . 1 1 10 10 VAL H H 1 8.105 0.002 . 1 . . . . 10 VAL HN . 17641 1 60 . 1 1 10 10 VAL HA H 1 4.449 0.002 . 1 . . . . 10 VAL HA . 17641 1 61 . 1 1 10 10 VAL HB H 1 2.051 0.002 . 1 . . . . 10 VAL HB . 17641 1 62 . 1 1 10 10 VAL HG11 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 63 . 1 1 10 10 VAL HG12 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 64 . 1 1 10 10 VAL HG13 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 65 . 1 1 10 10 VAL HG21 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 66 . 1 1 10 10 VAL HG22 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 67 . 1 1 10 10 VAL HG23 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 68 . 1 1 10 10 VAL CA C 13 59.770 0.020 . 1 . . . . 10 VAL CA . 17641 1 69 . 1 1 10 10 VAL CB C 13 32.829 0.020 . 1 . . . . 10 VAL CB . 17641 1 70 . 1 1 10 10 VAL N N 15 125.532 0.020 . 1 . . . . 10 VAL N . 17641 1 71 . 1 1 11 11 PRO HA H 1 4.395 0.002 . 1 . . . . 11 PRO HA . 17641 1 72 . 1 1 11 11 PRO HB2 H 1 2.304 0.002 . 2 . . . . 11 PRO HB2 . 17641 1 73 . 1 1 11 11 PRO CA C 13 63.295 0.020 . 1 . . . . 11 PRO CA . 17641 1 74 . 1 1 11 11 PRO CB C 13 32.157 0.020 . 1 . . . . 11 PRO CB . 17641 1 75 . 1 1 12 12 GLN H H 1 8.293 0.002 . 1 . . . . 12 GLN HN . 17641 1 76 . 1 1 12 12 GLN HA H 1 4.258 0.002 . 1 . . . . 12 GLN HA . 17641 1 77 . 1 1 12 12 GLN HB2 H 1 2.074 0.002 . 2 . . . . 12 GLN HB2 . 17641 1 78 . 1 1 12 12 GLN HB3 H 1 1.965 0.002 . 2 . . . . 12 GLN HB3 . 17641 1 79 . 1 1 12 12 GLN HG2 H 1 2.383 0.002 . 2 . . . . 12 GLN QG . 17641 1 80 . 1 1 12 12 GLN HG3 H 1 2.383 0.002 . 2 . . . . 12 GLN QG . 17641 1 81 . 1 1 12 12 GLN CA C 13 56.581 0.020 . 1 . . . . 12 GLN CA . 17641 1 82 . 1 1 12 12 GLN CB C 13 29.639 0.020 . 1 . . . . 12 GLN CB . 17641 1 83 . 1 1 12 12 GLN N N 15 120.535 0.020 . 1 . . . . 12 GLN N . 17641 1 84 . 1 1 13 13 GLU H H 1 8.409 0.002 . 1 . . . . 13 GLU HN . 17641 1 85 . 1 1 13 13 GLU HA H 1 4.281 0.002 . 1 . . . . 13 GLU HA . 17641 1 86 . 1 1 13 13 GLU HB2 H 1 2.034 0.002 . 2 . . . . 13 GLU HB2 . 17641 1 87 . 1 1 13 13 GLU HB3 H 1 1.933 0.002 . 2 . . . . 13 GLU HB3 . 17641 1 88 . 1 1 13 13 GLU HG2 H 1 2.220 0.002 . 2 . . . . 13 GLU QG . 17641 1 89 . 1 1 13 13 GLU HG3 H 1 2.220 0.002 . 2 . . . . 13 GLU QG . 17641 1 90 . 1 1 13 13 GLU CA C 13 56.713 0.020 . 1 . . . . 13 GLU CA . 17641 1 91 . 1 1 13 13 GLU CB C 13 30.119 0.020 . 1 . . . . 13 GLU CB . 17641 1 92 . 1 1 13 13 GLU N N 15 121.431 0.020 . 1 . . . . 13 GLU N . 17641 1 93 . 1 1 14 14 VAL H H 1 7.967 0.002 . 1 . . . . 14 VAL HN . 17641 1 94 . 1 1 14 14 VAL HA H 1 4.105 0.002 . 1 . . . . 14 VAL HA . 17641 1 95 . 1 1 14 14 VAL HB H 1 2.064 0.002 . 1 . . . . 14 VAL HB . 17641 1 96 . 1 1 14 14 VAL HG11 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 97 . 1 1 14 14 VAL HG12 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 98 . 1 1 14 14 VAL HG13 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 99 . 1 1 14 14 VAL HG21 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 100 . 1 1 14 14 VAL HG22 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 101 . 1 1 14 14 VAL HG23 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 102 . 1 1 14 14 VAL CA C 13 62.540 0.020 . 1 . . . . 14 VAL CA . 17641 1 103 . 1 1 14 14 VAL CB C 13 32.661 0.020 . 1 . . . . 14 VAL CB . 17641 1 104 . 1 1 14 14 VAL N N 15 120.559 0.020 . 1 . . . . 14 VAL N . 17641 1 105 . 1 1 15 15 LEU H H 1 8.062 0.002 . 1 . . . . 15 LEU HN . 17641 1 106 . 1 1 15 15 LEU HA H 1 4.347 0.002 . 1 . . . . 15 LEU HA . 17641 1 107 . 1 1 15 15 LEU HB2 H 1 1.592 0.002 . 2 . . . . 15 LEU QB . 17641 1 108 . 1 1 15 15 LEU HB3 H 1 1.592 0.002 . 2 . . . . 15 LEU QB . 17641 1 109 . 1 1 15 15 LEU HD11 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 110 . 1 1 15 15 LEU HD12 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 111 . 1 1 15 15 LEU HD13 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 112 . 1 1 15 15 LEU HD21 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 113 . 1 1 15 15 LEU HD22 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 114 . 1 1 15 15 LEU HD23 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 115 . 1 1 15 15 LEU CA C 13 55.154 0.020 . 1 . . . . 15 LEU CA . 17641 1 116 . 1 1 15 15 LEU CB C 13 42.733 0.020 . 1 . . . . 15 LEU CB . 17641 1 117 . 1 1 15 15 LEU N N 15 124.954 0.020 . 1 . . . . 15 LEU N . 17641 1 118 . 1 1 16 16 ASN H H 1 8.226 0.002 . 1 . . . . 16 ASN HN . 17641 1 119 . 1 1 16 16 ASN HA H 1 4.717 0.002 . 1 . . . . 16 ASN HA . 17641 1 120 . 1 1 16 16 ASN HB2 H 1 2.804 0.002 . 2 . . . . 16 ASN HB2 . 17641 1 121 . 1 1 16 16 ASN HB3 H 1 2.676 0.002 . 2 . . . . 16 ASN HB3 . 17641 1 122 . 1 1 16 16 ASN CA C 13 53.140 0.020 . 1 . . . . 16 ASN CA . 17641 1 123 . 1 1 16 16 ASN CB C 13 39.040 0.020 . 1 . . . . 16 ASN CB . 17641 1 124 . 1 1 16 16 ASN N N 15 119.386 0.020 . 1 . . . . 16 ASN N . 17641 1 125 . 1 1 17 17 LEU H H 1 7.938 0.002 . 1 . . . . 17 LEU HN . 17641 1 126 . 1 1 17 17 LEU HA H 1 4.577 0.002 . 1 . . . . 17 LEU HA . 17641 1 127 . 1 1 17 17 LEU HB2 H 1 1.566 0.002 . 2 . . . . 17 LEU QB . 17641 1 128 . 1 1 17 17 LEU HB3 H 1 1.566 0.002 . 2 . . . . 17 LEU QB . 17641 1 129 . 1 1 17 17 LEU CA C 13 54.041 0.020 . 1 . . . . 17 LEU CA . 17641 1 130 . 1 1 17 17 LEU CB C 13 42.080 0.020 . 1 . . . . 17 LEU CB . 17641 1 131 . 1 1 17 17 LEU N N 15 123.490 0.020 . 1 . . . . 17 LEU N . 17641 1 132 . 1 1 18 18 PRO CA C 13 63.131 0.020 . 1 . . . . 18 PRO CA . 17641 1 133 . 1 1 18 18 PRO CB C 13 31.714 0.020 . 1 . . . . 18 PRO CB . 17641 1 134 . 1 1 19 19 LEU H H 1 8.087 0.002 . 1 . . . . 19 LEU HN . 17641 1 135 . 1 1 19 19 LEU HA H 1 4.271 0.002 . 1 . . . . 19 LEU HA . 17641 1 136 . 1 1 19 19 LEU HB2 H 1 1.592 0.002 . 2 . . . . 19 LEU QB . 17641 1 137 . 1 1 19 19 LEU HB3 H 1 1.592 0.002 . 2 . . . . 19 LEU QB . 17641 1 138 . 1 1 19 19 LEU CA C 13 55.476 0.020 . 1 . . . . 19 LEU CA . 17641 1 139 . 1 1 19 19 LEU CB C 13 42.399 0.020 . 1 . . . . 19 LEU CB . 17641 1 140 . 1 1 19 19 LEU N N 15 122.205 0.020 . 1 . . . . 19 LEU N . 17641 1 141 . 1 1 20 20 GLU H H 1 8.284 0.002 . 1 . . . . 20 GLU HN . 17641 1 142 . 1 1 20 20 GLU HA H 1 4.231 0.002 . 1 . . . . 20 GLU HA . 17641 1 143 . 1 1 20 20 GLU HB2 H 1 2.020 0.002 . 2 . . . . 20 GLU HB2 . 17641 1 144 . 1 1 20 20 GLU HB3 H 1 1.929 0.002 . 2 . . . . 20 GLU HB3 . 17641 1 145 . 1 1 20 20 GLU HG2 H 1 2.234 0.002 . 2 . . . . 20 GLU QG . 17641 1 146 . 1 1 20 20 GLU HG3 H 1 2.234 0.002 . 2 . . . . 20 GLU QG . 17641 1 147 . 1 1 20 20 GLU CA C 13 57.071 0.020 . 1 . . . . 20 GLU CA . 17641 1 148 . 1 1 20 20 GLU CB C 13 30.279 0.020 . 1 . . . . 20 GLU CB . 17641 1 149 . 1 1 20 20 GLU N N 15 121.007 0.020 . 1 . . . . 20 GLU N . 17641 1 150 . 1 1 21 21 LYS HA H 1 4.259 0.002 . 1 . . . . 21 LYS HA . 17641 1 151 . 1 1 21 21 LYS HB2 H 1 1.948 0.002 . 2 . . . . 21 LYS HB2 . 17641 1 152 . 1 1 21 21 LYS HB3 H 1 1.674 0.002 . 2 . . . . 21 LYS HB3 . 17641 1 153 . 1 1 21 21 LYS CA C 13 56.231 0.020 . 1 . . . . 21 LYS CA . 17641 1 154 . 1 1 21 21 LYS CB C 13 33.152 0.020 . 1 . . . . 21 LYS CB . 17641 1 155 . 1 1 22 22 TYR H H 1 8.035 0.002 . 1 . . . . 22 TYR HN . 17641 1 156 . 1 1 22 22 TYR HA H 1 4.524 0.002 . 1 . . . . 22 TYR HA . 17641 1 157 . 1 1 22 22 TYR HB2 H 1 2.947 0.002 . 2 . . . . 22 TYR QB . 17641 1 158 . 1 1 22 22 TYR HB3 H 1 2.947 0.002 . 2 . . . . 22 TYR QB . 17641 1 159 . 1 1 22 22 TYR CA C 13 58.028 0.020 . 1 . . . . 22 TYR CA . 17641 1 160 . 1 1 22 22 TYR CB C 13 38.891 0.020 . 1 . . . . 22 TYR CB . 17641 1 161 . 1 1 22 22 TYR N N 15 121.251 0.020 . 1 . . . . 22 TYR N . 17641 1 162 . 1 1 23 23 HIS H H 1 8.094 0.002 . 1 . . . . 23 HIS HN . 17641 1 163 . 1 1 23 23 HIS HA H 1 4.589 0.002 . 1 . . . . 23 HIS HA . 17641 1 164 . 1 1 23 23 HIS HB2 H 1 3.186 0.002 . 2 . . . . 23 HIS HB2 . 17641 1 165 . 1 1 23 23 HIS HB3 H 1 3.084 0.002 . 2 . . . . 23 HIS HB3 . 17641 1 166 . 1 1 23 23 HIS CA C 13 55.396 0.020 . 1 . . . . 23 HIS CA . 17641 1 167 . 1 1 23 23 HIS CB C 13 29.721 0.020 . 1 . . . . 23 HIS CB . 17641 1 168 . 1 1 23 23 HIS N N 15 120.599 0.020 . 1 . . . . 23 HIS N . 17641 1 169 . 1 1 24 24 GLU H H 1 8.307 0.002 . 1 . . . . 24 GLU HN . 17641 1 170 . 1 1 24 24 GLU HA H 1 4.220 0.002 . 1 . . . . 24 GLU HA . 17641 1 171 . 1 1 24 24 GLU HB2 H 1 2.051 0.002 . 2 . . . . 24 GLU HB2 . 17641 1 172 . 1 1 24 24 GLU HB3 H 1 1.898 0.002 . 2 . . . . 24 GLU HB3 . 17641 1 173 . 1 1 24 24 GLU HG2 H 1 2.230 0.002 . 2 . . . . 24 GLU QG . 17641 1 174 . 1 1 24 24 GLU HG3 H 1 2.230 0.002 . 2 . . . . 24 GLU QG . 17641 1 175 . 1 1 24 24 GLU CA C 13 56.672 0.020 . 1 . . . . 24 GLU CA . 17641 1 176 . 1 1 24 24 GLU CB C 13 30.199 0.020 . 1 . . . . 24 GLU CB . 17641 1 177 . 1 1 24 24 GLU N N 15 122.673 0.020 . 1 . . . . 24 GLU N . 17641 1 178 . 1 1 25 25 GLU H H 1 8.400 0.002 . 1 . . . . 25 GLU HN . 17641 1 179 . 1 1 25 25 GLU HA H 1 4.283 0.002 . 1 . . . . 25 GLU HA . 17641 1 180 . 1 1 25 25 GLU HB2 H 1 2.064 0.002 . 2 . . . . 25 GLU HB2 . 17641 1 181 . 1 1 25 25 GLU HB3 H 1 1.936 0.002 . 2 . . . . 25 GLU HB3 . 17641 1 182 . 1 1 25 25 GLU HG2 H 1 2.268 0.002 . 2 . . . . 25 GLU QG . 17641 1 183 . 1 1 25 25 GLU HG3 H 1 2.268 0.002 . 2 . . . . 25 GLU QG . 17641 1 184 . 1 1 25 25 GLU CA C 13 56.752 0.020 . 1 . . . . 25 GLU CA . 17641 1 185 . 1 1 25 25 GLU CB C 13 30.279 0.020 . 1 . . . . 25 GLU CB . 17641 1 186 . 1 1 25 25 GLU N N 15 121.722 0.020 . 1 . . . . 25 GLU N . 17641 1 187 . 1 1 26 26 ALA H H 1 8.196 0.002 . 1 . . . . 26 ALA HN . 17641 1 188 . 1 1 26 26 ALA HA H 1 4.322 0.002 . 1 . . . . 26 ALA HA . 17641 1 189 . 1 1 26 26 ALA HB1 H 1 1.388 0.002 . 1 . . . . 26 ALA QB . 17641 1 190 . 1 1 26 26 ALA HB2 H 1 1.388 0.002 . 1 . . . . 26 ALA QB . 17641 1 191 . 1 1 26 26 ALA HB3 H 1 1.388 0.002 . 1 . . . . 26 ALA QB . 17641 1 192 . 1 1 26 26 ALA CA C 13 52.804 0.020 . 1 . . . . 26 ALA CA . 17641 1 193 . 1 1 26 26 ALA CB C 13 19.568 0.020 . 1 . . . . 26 ALA CB . 17641 1 194 . 1 1 26 26 ALA N N 15 124.209 0.020 . 1 . . . . 26 ALA N . 17641 1 195 . 1 1 27 27 ASP H H 1 8.145 0.002 . 1 . . . . 27 ASP HN . 17641 1 196 . 1 1 27 27 ASP HA H 1 4.566 0.002 . 1 . . . . 27 ASP HA . 17641 1 197 . 1 1 27 27 ASP HB2 H 1 2.625 0.002 . 2 . . . . 27 ASP QB . 17641 1 198 . 1 1 27 27 ASP HB3 H 1 2.625 0.002 . 2 . . . . 27 ASP QB . 17641 1 199 . 1 1 27 27 ASP CA C 13 54.824 0.020 . 1 . . . . 27 ASP CA . 17641 1 200 . 1 1 27 27 ASP CB C 13 41.173 0.020 . 1 . . . . 27 ASP CB . 17641 1 201 . 1 1 27 27 ASP N N 15 119.408 0.020 . 1 . . . . 27 ASP N . 17641 1 202 . 1 1 28 28 ASP H H 1 8.128 0.002 . 1 . . . . 28 ASP HN . 17641 1 203 . 1 1 28 28 ASP HA H 1 4.570 0.002 . 1 . . . . 28 ASP HA . 17641 1 204 . 1 1 28 28 ASP HB2 H 1 2.615 0.002 . 2 . . . . 28 ASP QB . 17641 1 205 . 1 1 28 28 ASP HB3 H 1 2.615 0.002 . 2 . . . . 28 ASP QB . 17641 1 206 . 1 1 28 28 ASP CA C 13 54.819 0.020 . 1 . . . . 28 ASP CA . 17641 1 207 . 1 1 28 28 ASP CB C 13 41.054 0.020 . 1 . . . . 28 ASP CB . 17641 1 208 . 1 1 28 28 ASP N N 15 120.023 0.020 . 1 . . . . 28 ASP N . 17641 1 209 . 1 1 29 29 TYR H H 1 7.967 0.002 . 1 . . . . 29 TYR HN . 17641 1 210 . 1 1 29 29 TYR HA H 1 4.411 0.002 . 1 . . . . 29 TYR HA . 17641 1 211 . 1 1 29 29 TYR HB2 H 1 3.033 0.002 . 2 . . . . 29 TYR QB . 17641 1 212 . 1 1 29 29 TYR HB3 H 1 3.033 0.002 . 2 . . . . 29 TYR QB . 17641 1 213 . 1 1 29 29 TYR CA C 13 58.847 0.020 . 1 . . . . 29 TYR CA . 17641 1 214 . 1 1 29 29 TYR CB C 13 38.536 0.020 . 1 . . . . 29 TYR CB . 17641 1 215 . 1 1 29 29 TYR N N 15 119.971 0.020 . 1 . . . . 29 TYR N . 17641 1 216 . 1 1 30 30 LEU H H 1 7.869 0.002 . 1 . . . . 30 LEU HN . 17641 1 217 . 1 1 30 30 LEU HA H 1 4.117 0.002 . 1 . . . . 30 LEU HA . 17641 1 218 . 1 1 30 30 LEU HB2 H 1 1.566 0.002 . 2 . . . . 30 LEU HB2 . 17641 1 219 . 1 1 30 30 LEU HB3 H 1 1.464 0.002 . 2 . . . . 30 LEU HB3 . 17641 1 220 . 1 1 30 30 LEU CA C 13 56.161 0.020 . 1 . . . . 30 LEU CA . 17641 1 221 . 1 1 30 30 LEU CB C 13 42.229 0.020 . 1 . . . . 30 LEU CB . 17641 1 222 . 1 1 30 30 LEU N N 15 121.868 0.020 . 1 . . . . 30 LEU N . 17641 1 223 . 1 1 31 31 ASP H H 1 7.993 0.002 . 1 . . . . 31 ASP HN . 17641 1 224 . 1 1 31 31 ASP HA H 1 4.436 0.002 . 1 . . . . 31 ASP HA . 17641 1 225 . 1 1 31 31 ASP HB2 H 1 2.582 0.002 . 2 . . . . 31 ASP QB . 17641 1 226 . 1 1 31 31 ASP HB3 H 1 2.582 0.002 . 2 . . . . 31 ASP QB . 17641 1 227 . 1 1 31 31 ASP CA C 13 55.082 0.020 . 1 . . . . 31 ASP CA . 17641 1 228 . 1 1 31 31 ASP CB C 13 40.886 0.020 . 1 . . . . 31 ASP CB . 17641 1 229 . 1 1 31 31 ASP N N 15 119.237 0.020 . 1 . . . . 31 ASP N . 17641 1 230 . 1 1 32 32 HIS H H 1 7.984 0.002 . 1 . . . . 32 HIS HN . 17641 1 231 . 1 1 32 32 HIS HA H 1 4.647 0.002 . 1 . . . . 32 HIS HA . 17641 1 232 . 1 1 32 32 HIS HB2 H 1 3.301 0.002 . 2 . . . . 32 HIS HB2 . 17641 1 233 . 1 1 32 32 HIS HB3 H 1 3.097 0.002 . 2 . . . . 32 HIS HB3 . 17641 1 234 . 1 1 32 32 HIS CA C 13 55.994 0.020 . 1 . . . . 32 HIS CA . 17641 1 235 . 1 1 32 32 HIS CB C 13 28.968 0.020 . 1 . . . . 32 HIS CB . 17641 1 236 . 1 1 32 32 HIS N N 15 117.121 0.020 . 1 . . . . 32 HIS N . 17641 1 237 . 1 1 33 33 LEU H H 1 7.994 0.002 . 1 . . . . 33 LEU HN . 17641 1 238 . 1 1 33 33 LEU HA H 1 4.220 0.002 . 1 . . . . 33 LEU HA . 17641 1 239 . 1 1 33 33 LEU HB2 H 1 1.651 0.002 . 2 . . . . 33 LEU HB2 . 17641 1 240 . 1 1 33 33 LEU HB3 H 1 1.592 0.002 . 2 . . . . 33 LEU HB3 . 17641 1 241 . 1 1 33 33 LEU CA C 13 56.161 0.020 . 1 . . . . 33 LEU CA . 17641 1 242 . 1 1 33 33 LEU CB C 13 42.397 0.020 . 1 . . . . 33 LEU CB . 17641 1 243 . 1 1 33 33 LEU N N 15 122.353 0.020 . 1 . . . . 33 LEU N . 17641 1 244 . 1 1 34 34 LEU H H 1 8.024 0.002 . 1 . . . . 34 LEU HN . 17641 1 245 . 1 1 34 34 LEU HA H 1 4.262 0.002 . 1 . . . . 34 LEU HA . 17641 1 246 . 1 1 34 34 LEU HB2 H 1 1.648 0.002 . 2 . . . . 34 LEU QB . 17641 1 247 . 1 1 34 34 LEU HB3 H 1 1.648 0.002 . 2 . . . . 34 LEU QB . 17641 1 248 . 1 1 34 34 LEU CA C 13 56.273 0.020 . 1 . . . . 34 LEU CA . 17641 1 249 . 1 1 34 34 LEU CB C 13 42.240 0.020 . 1 . . . . 34 LEU CB . 17641 1 250 . 1 1 34 34 LEU N N 15 121.451 0.020 . 1 . . . . 34 LEU N . 17641 1 251 . 1 1 35 35 ASP H H 1 8.001 0.002 . 1 . . . . 35 ASP HN . 17641 1 252 . 1 1 35 35 ASP HA H 1 4.563 0.002 . 1 . . . . 35 ASP HA . 17641 1 253 . 1 1 35 35 ASP HB2 H 1 2.676 0.002 . 2 . . . . 35 ASP QB . 17641 1 254 . 1 1 35 35 ASP HB3 H 1 2.676 0.002 . 2 . . . . 35 ASP QB . 17641 1 255 . 1 1 35 35 ASP CA C 13 55.157 0.020 . 1 . . . . 35 ASP CA . 17641 1 256 . 1 1 35 35 ASP CB C 13 41.123 0.020 . 1 . . . . 35 ASP CB . 17641 1 257 . 1 1 35 35 ASP N N 15 120.128 0.020 . 1 . . . . 35 ASP N . 17641 1 258 . 1 1 36 36 SER H H 1 8.005 0.002 . 1 . . . . 36 SER HN . 17641 1 259 . 1 1 36 36 SER HA H 1 4.444 0.002 . 1 . . . . 36 SER HA . 17641 1 260 . 1 1 36 36 SER HB2 H 1 3.875 0.002 . 2 . . . . 36 SER QB . 17641 1 261 . 1 1 36 36 SER HB3 H 1 3.875 0.002 . 2 . . . . 36 SER QB . 17641 1 262 . 1 1 36 36 SER CA C 13 58.679 0.020 . 1 . . . . 36 SER CA . 17641 1 263 . 1 1 36 36 SER CB C 13 63.972 0.020 . 1 . . . . 36 SER CB . 17641 1 264 . 1 1 36 36 SER N N 15 114.963 0.020 . 1 . . . . 36 SER N . 17641 1 265 . 1 1 37 37 LEU H H 1 8.069 0.002 . 1 . . . . 37 LEU HN . 17641 1 266 . 1 1 37 37 LEU HA H 1 4.296 0.002 . 1 . . . . 37 LEU HA . 17641 1 267 . 1 1 37 37 LEU HB2 H 1 1.678 0.002 . 2 . . . . 37 LEU HB2 . 17641 1 268 . 1 1 37 37 LEU HB3 H 1 1.592 0.002 . 2 . . . . 37 LEU HB3 . 17641 1 269 . 1 1 37 37 LEU HD11 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 270 . 1 1 37 37 LEU HD12 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 271 . 1 1 37 37 LEU HD13 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 272 . 1 1 37 37 LEU HD21 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 273 . 1 1 37 37 LEU HD22 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 274 . 1 1 37 37 LEU HD23 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 275 . 1 1 37 37 LEU CA C 13 55.980 0.020 . 1 . . . . 37 LEU CA . 17641 1 276 . 1 1 37 37 LEU CB C 13 42.229 0.020 . 1 . . . . 37 LEU CB . 17641 1 277 . 1 1 37 37 LEU N N 15 123.330 0.020 . 1 . . . . 37 LEU N . 17641 1 278 . 1 1 38 38 GLU H H 1 8.210 0.002 . 1 . . . . 38 GLU HN . 17641 1 279 . 1 1 38 38 GLU HA H 1 4.204 0.002 . 1 . . . . 38 GLU HA . 17641 1 280 . 1 1 38 38 GLU HB2 H 1 2.061 0.002 . 2 . . . . 38 GLU HB2 . 17641 1 281 . 1 1 38 38 GLU HB3 H 1 1.967 0.002 . 2 . . . . 38 GLU HB3 . 17641 1 282 . 1 1 38 38 GLU HG2 H 1 2.264 0.002 . 2 . . . . 38 GLU QG . 17641 1 283 . 1 1 38 38 GLU HG3 H 1 2.264 0.002 . 2 . . . . 38 GLU QG . 17641 1 284 . 1 1 38 38 GLU CA C 13 57.151 0.020 . 1 . . . . 38 GLU CA . 17641 1 285 . 1 1 38 38 GLU CB C 13 30.040 0.020 . 1 . . . . 38 GLU CB . 17641 1 286 . 1 1 38 38 GLU N N 15 120.791 0.020 . 1 . . . . 38 GLU N . 17641 1 287 . 1 1 39 39 GLU HA H 1 4.274 0.002 . 1 . . . . 39 GLU HA . 17641 1 288 . 1 1 39 39 GLU HB2 H 1 2.043 0.002 . 2 . . . . 39 GLU HB2 . 17641 1 289 . 1 1 39 39 GLU HB3 H 1 1.937 0.002 . 2 . . . . 39 GLU HB3 . 17641 1 290 . 1 1 39 39 GLU CA C 13 56.911 0.020 . 1 . . . . 39 GLU CA . 17641 1 291 . 1 1 39 39 GLU CB C 13 30.119 0.020 . 1 . . . . 39 GLU CB . 17641 1 292 . 1 1 40 40 LEU H H 1 8.056 0.002 . 1 . . . . 40 LEU HN . 17641 1 293 . 1 1 40 40 LEU HA H 1 4.347 0.002 . 1 . . . . 40 LEU HA . 17641 1 294 . 1 1 40 40 LEU HB2 H 1 1.643 0.002 . 2 . . . . 40 LEU QB . 17641 1 295 . 1 1 40 40 LEU HB3 H 1 1.643 0.002 . 2 . . . . 40 LEU QB . 17641 1 296 . 1 1 40 40 LEU CA C 13 55.585 0.020 . 1 . . . . 40 LEU CA . 17641 1 297 . 1 1 40 40 LEU CB C 13 42.481 0.020 . 1 . . . . 40 LEU CB . 17641 1 298 . 1 1 40 40 LEU N N 15 122.458 0.020 . 1 . . . . 40 LEU N . 17641 1 299 . 1 1 41 41 SER H H 1 8.103 0.002 . 1 . . . . 41 SER HN . 17641 1 300 . 1 1 41 41 SER HA H 1 4.395 0.002 . 1 . . . . 41 SER HA . 17641 1 301 . 1 1 41 41 SER HB2 H 1 3.874 0.002 . 2 . . . . 41 SER QB . 17641 1 302 . 1 1 41 41 SER HB3 H 1 3.874 0.002 . 2 . . . . 41 SER QB . 17641 1 303 . 1 1 41 41 SER CA C 13 58.847 0.020 . 1 . . . . 41 SER CA . 17641 1 304 . 1 1 41 41 SER CB C 13 64.051 0.020 . 1 . . . . 41 SER CB . 17641 1 305 . 1 1 41 41 SER N N 15 115.880 0.020 . 1 . . . . 41 SER N . 17641 1 306 . 1 1 42 42 GLU H H 1 8.125 0.002 . 1 . . . . 42 GLU HN . 17641 1 307 . 1 1 42 42 GLU HA H 1 4.283 0.002 . 1 . . . . 42 GLU HA . 17641 1 308 . 1 1 42 42 GLU HB2 H 1 2.038 0.002 . 2 . . . . 42 GLU HB2 . 17641 1 309 . 1 1 42 42 GLU HB3 H 1 1.911 0.002 . 2 . . . . 42 GLU HB3 . 17641 1 310 . 1 1 42 42 GLU HG2 H 1 2.243 0.002 . 2 . . . . 42 GLU QG . 17641 1 311 . 1 1 42 42 GLU HG3 H 1 2.243 0.002 . 2 . . . . 42 GLU QG . 17641 1 312 . 1 1 42 42 GLU CA C 13 56.581 0.020 . 1 . . . . 42 GLU CA . 17641 1 313 . 1 1 42 42 GLU CB C 13 30.395 0.020 . 1 . . . . 42 GLU CB . 17641 1 314 . 1 1 42 42 GLU N N 15 121.914 0.020 . 1 . . . . 42 GLU N . 17641 1 315 . 1 1 43 43 ALA H H 1 8.000 0.002 . 1 . . . . 43 ALA HN . 17641 1 316 . 1 1 43 43 ALA HA H 1 4.258 0.002 . 1 . . . . 43 ALA HA . 17641 1 317 . 1 1 43 43 ALA HB1 H 1 1.299 0.002 . 1 . . . . 43 ALA QB . 17641 1 318 . 1 1 43 43 ALA HB2 H 1 1.299 0.002 . 1 . . . . 43 ALA QB . 17641 1 319 . 1 1 43 43 ALA HB3 H 1 1.299 0.002 . 1 . . . . 43 ALA QB . 17641 1 320 . 1 1 43 43 ALA CA C 13 52.468 0.020 . 1 . . . . 43 ALA CA . 17641 1 321 . 1 1 43 43 ALA CB C 13 19.400 0.020 . 1 . . . . 43 ALA CB . 17641 1 322 . 1 1 43 43 ALA N N 15 123.963 0.020 . 1 . . . . 43 ALA N . 17641 1 323 . 1 1 44 44 HIS H H 1 8.271 0.002 . 1 . . . . 44 HIS HN . 17641 1 324 . 1 1 44 44 HIS HA H 1 4.956 0.002 . 1 . . . . 44 HIS HA . 17641 1 325 . 1 1 44 44 HIS HB2 H 1 3.232 0.002 . 2 . . . . 44 HIS HB2 . 17641 1 326 . 1 1 44 44 HIS HB3 H 1 3.108 0.002 . 2 . . . . 44 HIS HB3 . 17641 1 327 . 1 1 44 44 HIS CA C 13 53.476 0.020 . 1 . . . . 44 HIS CA . 17641 1 328 . 1 1 44 44 HIS CB C 13 29.136 0.020 . 1 . . . . 44 HIS CB . 17641 1 329 . 1 1 44 44 HIS N N 15 118.006 0.020 . 1 . . . . 44 HIS N . 17641 1 330 . 1 1 45 45 PRO HA H 1 4.451 0.002 . 1 . . . . 45 PRO HA . 17641 1 331 . 1 1 45 45 PRO HB2 H 1 2.281 0.002 . 2 . . . . 45 PRO HB2 . 17641 1 332 . 1 1 45 45 PRO HB3 H 1 1.968 0.002 . 2 . . . . 45 PRO HB3 . 17641 1 333 . 1 1 45 45 PRO CA C 13 63.715 0.020 . 1 . . . . 45 PRO CA . 17641 1 334 . 1 1 45 45 PRO CB C 13 32.157 0.020 . 1 . . . . 45 PRO CB . 17641 1 335 . 1 1 46 46 ASP H H 1 8.502 0.002 . 1 . . . . 46 ASP HN . 17641 1 336 . 1 1 46 46 ASP HA H 1 4.599 0.002 . 1 . . . . 46 ASP HA . 17641 1 337 . 1 1 46 46 ASP HB2 H 1 2.676 0.002 . 2 . . . . 46 ASP QB . 17641 1 338 . 1 1 46 46 ASP HB3 H 1 2.676 0.002 . 2 . . . . 46 ASP QB . 17641 1 339 . 1 1 46 46 ASP CA C 13 54.651 0.020 . 1 . . . . 46 ASP CA . 17641 1 340 . 1 1 46 46 ASP CB C 13 41.054 0.020 . 1 . . . . 46 ASP CB . 17641 1 341 . 1 1 46 46 ASP N N 15 119.343 0.020 . 1 . . . . 46 ASP N . 17641 1 342 . 1 1 47 47 CYS H H 1 8.036 0.002 . 1 . . . . 47 CYS HN . 17641 1 343 . 1 1 47 47 CYS HA H 1 4.533 0.002 . 1 . . . . 47 CYS HA . 17641 1 344 . 1 1 47 47 CYS HB2 H 1 2.893 0.002 . 2 . . . . 47 CYS QB . 17641 1 345 . 1 1 47 47 CYS HB3 H 1 2.893 0.002 . 2 . . . . 47 CYS QB . 17641 1 346 . 1 1 47 47 CYS CA C 13 58.176 0.020 . 1 . . . . 47 CYS CA . 17641 1 347 . 1 1 47 47 CYS CB C 13 28.297 0.020 . 1 . . . . 47 CYS CB . 17641 1 348 . 1 1 47 47 CYS N N 15 118.067 0.020 . 1 . . . . 47 CYS N . 17641 1 349 . 1 1 48 48 ILE H H 1 8.067 0.002 . 1 . . . . 48 ILE HN . 17641 1 350 . 1 1 48 48 ILE HA H 1 4.449 0.002 . 1 . . . . 48 ILE HA . 17641 1 351 . 1 1 48 48 ILE HB H 1 1.873 0.002 . 1 . . . . 48 ILE HB . 17641 1 352 . 1 1 48 48 ILE HG12 H 1 1.592 0.002 . 2 . . . . 48 ILE HG12 . 17641 1 353 . 1 1 48 48 ILE HG13 H 1 1.158 0.002 . 2 . . . . 48 ILE HG13 . 17641 1 354 . 1 1 48 48 ILE HG21 H 1 0.954 0.002 . 9 . . . . 48 ILE QG2 . 17641 1 355 . 1 1 48 48 ILE HG22 H 1 0.954 0.002 . 9 . . . . 48 ILE QG2 . 17641 1 356 . 1 1 48 48 ILE HG23 H 1 0.954 0.002 . 9 . . . . 48 ILE QG2 . 17641 1 357 . 1 1 48 48 ILE HD11 H 1 0.830 0.002 . 9 . . . . 48 ILE QD1 . 17641 1 358 . 1 1 48 48 ILE HD12 H 1 0.830 0.002 . 9 . . . . 48 ILE QD1 . 17641 1 359 . 1 1 48 48 ILE HD13 H 1 0.830 0.002 . 9 . . . . 48 ILE QD1 . 17641 1 360 . 1 1 48 48 ILE CA C 13 58.809 0.020 . 1 . . . . 48 ILE CA . 17641 1 361 . 1 1 48 48 ILE CB C 13 38.633 0.020 . 1 . . . . 48 ILE CB . 17641 1 362 . 1 1 48 48 ILE N N 15 124.234 0.020 . 1 . . . . 48 ILE N . 17641 1 363 . 1 1 49 49 PRO HA H 1 4.405 0.002 . 1 . . . . 49 PRO HA . 17641 1 364 . 1 1 49 49 PRO HB2 H 1 2.253 0.002 . 2 . . . . 49 PRO HB2 . 17641 1 365 . 1 1 49 49 PRO HB3 H 1 1.892 0.002 . 2 . . . . 49 PRO HB3 . 17641 1 366 . 1 1 49 49 PRO CA C 13 63.379 0.020 . 1 . . . . 49 PRO CA . 17641 1 367 . 1 1 49 49 PRO CB C 13 32.157 0.020 . 1 . . . . 49 PRO CB . 17641 1 368 . 1 1 50 50 ASP H H 1 8.183 0.002 . 1 . . . . 50 ASP HN . 17641 1 369 . 1 1 50 50 ASP HA H 1 4.559 0.002 . 1 . . . . 50 ASP HA . 17641 1 370 . 1 1 50 50 ASP HB2 H 1 2.702 0.002 . 2 . . . . 50 ASP HB2 . 17641 1 371 . 1 1 50 50 ASP HB3 H 1 2.600 0.002 . 2 . . . . 50 ASP HB3 . 17641 1 372 . 1 1 50 50 ASP CA C 13 54.819 0.020 . 1 . . . . 50 ASP CA . 17641 1 373 . 1 1 50 50 ASP CB C 13 41.222 0.020 . 1 . . . . 50 ASP CB . 17641 1 374 . 1 1 50 50 ASP N N 15 119.901 0.020 . 1 . . . . 50 ASP N . 17641 1 375 . 1 1 51 51 VAL H H 1 7.885 0.002 . 1 . . . . 51 VAL HN . 17641 1 376 . 1 1 51 51 VAL HA H 1 4.092 0.002 . 1 . . . . 51 VAL HA . 17641 1 377 . 1 1 51 51 VAL HB H 1 2.102 0.002 . 1 . . . . 51 VAL HB . 17641 1 378 . 1 1 51 51 VAL HG11 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 379 . 1 1 51 51 VAL HG12 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 380 . 1 1 51 51 VAL HG13 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 381 . 1 1 51 51 VAL HG21 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 382 . 1 1 51 51 VAL HG22 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 383 . 1 1 51 51 VAL HG23 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 384 . 1 1 51 51 VAL CA C 13 62.708 0.020 . 1 . . . . 51 VAL CA . 17641 1 385 . 1 1 51 51 VAL CB C 13 32.829 0.020 . 1 . . . . 51 VAL CB . 17641 1 386 . 1 1 51 51 VAL N N 15 119.062 0.020 . 1 . . . . 51 VAL N . 17641 1 387 . 1 1 52 52 GLU H H 1 8.275 0.002 . 1 . . . . 52 GLU HN . 17641 1 388 . 1 1 52 52 GLU HA H 1 4.245 0.002 . 1 . . . . 52 GLU HA . 17641 1 389 . 1 1 52 52 GLU HB2 H 1 2.051 0.002 . 2 . . . . 52 GLU HB2 . 17641 1 390 . 1 1 52 52 GLU HB3 H 1 1.924 0.002 . 2 . . . . 52 GLU HB3 . 17641 1 391 . 1 1 52 52 GLU HG2 H 1 2.230 0.002 . 2 . . . . 52 GLU QG . 17641 1 392 . 1 1 52 52 GLU HG3 H 1 2.230 0.002 . 2 . . . . 52 GLU QG . 17641 1 393 . 1 1 52 52 GLU CA C 13 57.001 0.020 . 1 . . . . 52 GLU CA . 17641 1 394 . 1 1 52 52 GLU CB C 13 30.143 0.020 . 1 . . . . 52 GLU CB . 17641 1 395 . 1 1 52 52 GLU N N 15 122.958 0.020 . 1 . . . . 52 GLU N . 17641 1 396 . 1 1 53 53 LEU H H 1 8.030 0.002 . 1 . . . . 53 LEU HN . 17641 1 397 . 1 1 53 53 LEU HA H 1 4.347 0.002 . 1 . . . . 53 LEU HA . 17641 1 398 . 1 1 53 53 LEU HB2 H 1 1.618 0.002 . 2 . . . . 53 LEU QB . 17641 1 399 . 1 1 53 53 LEU HB3 H 1 1.618 0.002 . 2 . . . . 53 LEU QB . 17641 1 400 . 1 1 53 53 LEU CA C 13 55.636 0.020 . 1 . . . . 53 LEU CA . 17641 1 401 . 1 1 53 53 LEU CB C 13 42.399 0.020 . 1 . . . . 53 LEU CB . 17641 1 402 . 1 1 53 53 LEU N N 15 122.321 0.020 . 1 . . . . 53 LEU N . 17641 1 403 . 1 1 54 54 SER H H 1 8.050 0.002 . 1 . . . . 54 SER HN . 17641 1 404 . 1 1 54 54 SER HA H 1 4.367 0.002 . 1 . . . . 54 SER HA . 17641 1 405 . 1 1 54 54 SER HB2 H 1 3.822 0.002 . 2 . . . . 54 SER QB . 17641 1 406 . 1 1 54 54 SER HB3 H 1 3.822 0.002 . 2 . . . . 54 SER QB . 17641 1 407 . 1 1 54 54 SER CA C 13 58.847 0.020 . 1 . . . . 54 SER CA . 17641 1 408 . 1 1 54 54 SER CB C 13 63.900 0.020 . 1 . . . . 54 SER CB . 17641 1 409 . 1 1 54 54 SER N N 15 115.017 0.020 . 1 . . . . 54 SER N . 17641 1 410 . 1 1 55 55 HIS HA H 1 4.688 0.002 . 1 . . . . 55 HIS HA . 17641 1 411 . 1 1 55 55 HIS HB2 H 1 3.268 0.002 . 2 . . . . 55 HIS HB2 . 17641 1 412 . 1 1 55 55 HIS HB3 H 1 3.145 0.002 . 2 . . . . 55 HIS HB3 . 17641 1 413 . 1 1 55 55 HIS CA C 13 56.114 0.020 . 1 . . . . 55 HIS CA . 17641 1 414 . 1 1 55 55 HIS CB C 13 29.641 0.020 . 1 . . . . 55 HIS CB . 17641 1 415 . 1 1 56 56 GLY H H 1 8.224 0.002 . 1 . . . . 56 GLY HN . 17641 1 416 . 1 1 56 56 GLY HA2 H 1 3.935 0.002 . 2 . . . . 56 GLY QA . 17641 1 417 . 1 1 56 56 GLY HA3 H 1 3.935 0.002 . 2 . . . . 56 GLY QA . 17641 1 418 . 1 1 56 56 GLY CA C 13 45.670 0.020 . 1 . . . . 56 GLY CA . 17641 1 419 . 1 1 56 56 GLY N N 15 108.897 0.020 . 1 . . . . 56 GLY N . 17641 1 420 . 1 1 57 57 VAL H H 1 7.867 0.002 . 1 . . . . 57 VAL HN . 17641 1 421 . 1 1 57 57 VAL HA H 1 4.186 0.002 . 1 . . . . 57 VAL HA . 17641 1 422 . 1 1 57 57 VAL HB H 1 2.065 0.002 . 1 . . . . 57 VAL HB . 17641 1 423 . 1 1 57 57 VAL HG11 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 424 . 1 1 57 57 VAL HG12 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 425 . 1 1 57 57 VAL HG13 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 426 . 1 1 57 57 VAL HG21 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 427 . 1 1 57 57 VAL HG22 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 428 . 1 1 57 57 VAL HG23 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 429 . 1 1 57 57 VAL CA C 13 62.601 0.020 . 1 . . . . 57 VAL CA . 17641 1 430 . 1 1 57 57 VAL CB C 13 32.809 0.020 . 1 . . . . 57 VAL CB . 17641 1 431 . 1 1 57 57 VAL N N 15 118.698 0.020 . 1 . . . . 57 VAL N . 17641 1 432 . 1 1 58 58 MET H H 1 8.358 0.002 . 1 . . . . 58 MET HN . 17641 1 433 . 1 1 58 58 MET HA H 1 4.581 0.002 . 1 . . . . 58 MET HA . 17641 1 434 . 1 1 58 58 MET HB2 H 1 2.102 0.002 . 2 . . . . 58 MET HB2 . 17641 1 435 . 1 1 58 58 MET HB3 H 1 2.000 0.002 . 2 . . . . 58 MET HB3 . 17641 1 436 . 1 1 58 58 MET CA C 13 55.658 0.020 . 1 . . . . 58 MET CA . 17641 1 437 . 1 1 58 58 MET CB C 13 33.332 0.020 . 1 . . . . 58 MET CB . 17641 1 438 . 1 1 58 58 MET N N 15 123.319 0.020 . 1 . . . . 58 MET N . 17641 1 439 . 1 1 59 59 THR H H 1 8.053 0.002 . 1 . . . . 59 THR HN . 17641 1 440 . 1 1 59 59 THR HA H 1 4.497 0.002 . 1 . . . . 59 THR HA . 17641 1 441 . 1 1 59 59 THR HB H 1 4.138 0.002 . 1 . . . . 59 THR HB . 17641 1 442 . 1 1 59 59 THR CA C 13 61.701 0.020 . 1 . . . . 59 THR CA . 17641 1 443 . 1 1 59 59 THR CB C 13 69.926 0.020 . 1 . . . . 59 THR CB . 17641 1 444 . 1 1 59 59 THR N N 15 115.409 0.020 . 1 . . . . 59 THR N . 17641 1 445 . 1 1 60 60 LEU H H 1 8.183 0.002 . 1 . . . . 60 LEU HN . 17641 1 446 . 1 1 60 60 LEU HA H 1 4.429 0.002 . 1 . . . . 60 LEU HA . 17641 1 447 . 1 1 60 60 LEU HB2 H 1 1.579 0.002 . 2 . . . . 60 LEU QB . 17641 1 448 . 1 1 60 60 LEU HB3 H 1 1.579 0.002 . 2 . . . . 60 LEU QB . 17641 1 449 . 1 1 60 60 LEU CA C 13 55.322 0.020 . 1 . . . . 60 LEU CA . 17641 1 450 . 1 1 60 60 LEU CB C 13 43.068 0.020 . 1 . . . . 60 LEU CB . 17641 1 451 . 1 1 60 60 LEU N N 15 124.034 0.020 . 1 . . . . 60 LEU N . 17641 1 452 . 1 1 61 61 GLU H H 1 8.246 0.002 . 1 . . . . 61 GLU HN . 17641 1 453 . 1 1 61 61 GLU HA H 1 4.363 0.002 . 1 . . . . 61 GLU HA . 17641 1 454 . 1 1 61 61 GLU HB2 H 1 2.013 0.002 . 2 . . . . 61 GLU QB . 17641 1 455 . 1 1 61 61 GLU HB3 H 1 2.013 0.002 . 2 . . . . 61 GLU QB . 17641 1 456 . 1 1 61 61 GLU HG2 H 1 2.217 0.002 . 2 . . . . 61 GLU QG . 17641 1 457 . 1 1 61 61 GLU HG3 H 1 2.217 0.002 . 2 . . . . 61 GLU QG . 17641 1 458 . 1 1 61 61 GLU CA C 13 56.273 0.020 . 1 . . . . 61 GLU CA . 17641 1 459 . 1 1 61 61 GLU CB C 13 29.322 0.020 . 1 . . . . 61 GLU CB . 17641 1 460 . 1 1 61 61 GLU N N 15 121.861 0.020 . 1 . . . . 61 GLU N . 17641 1 461 . 1 1 62 62 ILE H H 1 7.843 0.002 . 1 . . . . 62 ILE HN . 17641 1 462 . 1 1 62 62 ILE HA H 1 4.130 0.002 . 1 . . . . 62 ILE HA . 17641 1 463 . 1 1 62 62 ILE CA C 13 61.377 0.020 . 1 . . . . 62 ILE CA . 17641 1 464 . 1 1 62 62 ILE CB C 13 39.050 0.020 . 1 . . . . 62 ILE CB . 17641 1 465 . 1 1 62 62 ILE N N 15 120.134 0.020 . 1 . . . . 62 ILE N . 17641 1 466 . 1 1 63 63 PRO HA H 1 4.441 0.002 . 1 . . . . 63 PRO HA . 17641 1 467 . 1 1 63 63 PRO HB2 H 1 2.166 0.002 . 2 . . . . 63 PRO HB2 . 17641 1 468 . 1 1 63 63 PRO HB3 H 1 1.906 0.002 . 2 . . . . 63 PRO HB3 . 17641 1 469 . 1 1 63 63 PRO CA C 13 63.547 0.020 . 1 . . . . 63 PRO CA . 17641 1 470 . 1 1 63 63 PRO CB C 13 31.822 0.020 . 1 . . . . 63 PRO CB . 17641 1 471 . 1 1 64 64 ALA H H 1 8.110 0.002 . 1 . . . . 64 ALA HN . 17641 1 472 . 1 1 64 64 ALA HA H 1 4.194 0.002 . 1 . . . . 64 ALA HA . 17641 1 473 . 1 1 64 64 ALA HB1 H 1 1.286 0.002 . 1 . . . . 64 ALA QB . 17641 1 474 . 1 1 64 64 ALA HB2 H 1 1.286 0.002 . 1 . . . . 64 ALA QB . 17641 1 475 . 1 1 64 64 ALA HB3 H 1 1.286 0.002 . 1 . . . . 64 ALA QB . 17641 1 476 . 1 1 64 64 ALA CA C 13 52.972 0.020 . 1 . . . . 64 ALA CA . 17641 1 477 . 1 1 64 64 ALA CB C 13 19.064 0.020 . 1 . . . . 64 ALA CB . 17641 1 478 . 1 1 64 64 ALA N N 15 122.557 0.020 . 1 . . . . 64 ALA N . 17641 1 479 . 1 1 65 65 PHE H H 1 7.969 0.002 . 1 . . . . 65 PHE HN . 17641 1 480 . 1 1 65 65 PHE HA H 1 4.584 0.002 . 1 . . . . 65 PHE HA . 17641 1 481 . 1 1 65 65 PHE HB2 H 1 3.174 0.002 . 2 . . . . 65 PHE HB2 . 17641 1 482 . 1 1 65 65 PHE HB3 H 1 3.016 0.002 . 2 . . . . 65 PHE HB3 . 17641 1 483 . 1 1 65 65 PHE CA C 13 58.092 0.020 . 1 . . . . 65 PHE CA . 17641 1 484 . 1 1 65 65 PHE CB C 13 39.795 0.020 . 1 . . . . 65 PHE CB . 17641 1 485 . 1 1 65 65 PHE N N 15 118.002 0.020 . 1 . . . . 65 PHE N . 17641 1 486 . 1 1 66 66 GLY H H 1 8.200 0.002 . 1 . . . . 66 GLY HN . 17641 1 487 . 1 1 66 66 GLY HA2 H 1 3.995 0.002 . 2 . . . . 66 GLY HA1 . 17641 1 488 . 1 1 66 66 GLY HA3 H 1 3.838 0.002 . 2 . . . . 66 GLY HA2 . 17641 1 489 . 1 1 66 66 GLY CA C 13 45.586 0.020 . 1 . . . . 66 GLY CA . 17641 1 490 . 1 1 66 66 GLY N N 15 109.312 0.020 . 1 . . . . 66 GLY N . 17641 1 491 . 1 1 67 67 THR H H 1 7.856 0.002 . 1 . . . . 67 THR HN . 17641 1 492 . 1 1 67 67 THR HA H 1 4.349 0.002 . 1 . . . . 67 THR HA . 17641 1 493 . 1 1 67 67 THR HB H 1 4.207 0.002 . 1 . . . . 67 THR HB . 17641 1 494 . 1 1 67 67 THR CA C 13 62.372 0.020 . 1 . . . . 67 THR CA . 17641 1 495 . 1 1 67 67 THR CB C 13 69.866 0.020 . 1 . . . . 67 THR CB . 17641 1 496 . 1 1 67 67 THR N N 15 113.774 0.020 . 1 . . . . 67 THR N . 17641 1 497 . 1 1 68 68 TYR H H 1 8.037 0.002 . 1 . . . . 68 TYR HN . 17641 1 498 . 1 1 68 68 TYR HA H 1 4.449 0.002 . 1 . . . . 68 TYR HA . 17641 1 499 . 1 1 68 68 TYR HB2 H 1 3.327 0.002 . 2 . . . . 68 TYR QB . 17641 1 500 . 1 1 68 68 TYR HB3 H 1 3.327 0.002 . 2 . . . . 68 TYR QB . 17641 1 501 . 1 1 68 68 TYR CA C 13 58.107 0.020 . 1 . . . . 68 TYR CA . 17641 1 502 . 1 1 68 68 TYR CB C 13 39.130 0.020 . 1 . . . . 68 TYR CB . 17641 1 503 . 1 1 68 68 TYR N N 15 124.404 0.020 . 1 . . . . 68 TYR N . 17641 1 504 . 1 1 69 69 VAL H H 1 7.946 0.002 . 1 . . . . 69 VAL HN . 17641 1 505 . 1 1 69 69 VAL HA H 1 4.143 0.002 . 1 . . . . 69 VAL HA . 17641 1 506 . 1 1 69 69 VAL HB H 1 1.962 0.002 . 1 . . . . 69 VAL HB . 17641 1 507 . 1 1 69 69 VAL HG11 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 508 . 1 1 69 69 VAL HG12 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 509 . 1 1 69 69 VAL HG13 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 510 . 1 1 69 69 VAL HG21 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 511 . 1 1 69 69 VAL HG22 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 512 . 1 1 69 69 VAL HG23 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 513 . 1 1 69 69 VAL CA C 13 62.382 0.020 . 1 . . . . 69 VAL CA . 17641 1 514 . 1 1 69 69 VAL CB C 13 32.990 0.020 . 1 . . . . 69 VAL CB . 17641 1 515 . 1 1 69 69 VAL N N 15 121.367 0.020 . 1 . . . . 69 VAL N . 17641 1 516 . 1 1 70 70 ILE HA H 1 4.272 0.002 . 1 . . . . 70 ILE HA . 17641 1 517 . 1 1 70 70 ILE HB H 1 1.800 0.002 . 1 . . . . 70 ILE HB . 17641 1 518 . 1 1 70 70 ILE CA C 13 61.217 0.020 . 1 . . . . 70 ILE CA . 17641 1 519 . 1 1 70 70 ILE CB C 13 38.868 0.020 . 1 . . . . 70 ILE CB . 17641 1 520 . 1 1 71 71 ASN H H 1 8.263 0.002 . 1 . . . . 71 ASN HN . 17641 1 521 . 1 1 71 71 ASN HA H 1 4.713 0.002 . 1 . . . . 71 ASN HA . 17641 1 522 . 1 1 71 71 ASN HB2 H 1 2.804 0.002 . 2 . . . . 71 ASN HB2 . 17641 1 523 . 1 1 71 71 ASN HB3 H 1 2.713 0.002 . 2 . . . . 71 ASN HB3 . 17641 1 524 . 1 1 71 71 ASN CA C 13 53.403 0.020 . 1 . . . . 71 ASN CA . 17641 1 525 . 1 1 71 71 ASN CB C 13 39.050 0.020 . 1 . . . . 71 ASN CB . 17641 1 526 . 1 1 71 71 ASN N N 15 122.107 0.020 . 1 . . . . 71 ASN N . 17641 1 527 . 1 1 72 72 LYS HA H 1 4.269 0.002 . 1 . . . . 72 LYS HA . 17641 1 528 . 1 1 72 72 LYS HB2 H 1 1.825 0.002 . 2 . . . . 72 LYS HB2 . 17641 1 529 . 1 1 72 72 LYS HB3 H 1 1.708 0.002 . 2 . . . . 72 LYS HB3 . 17641 1 530 . 1 1 72 72 LYS CA C 13 56.433 0.020 . 1 . . . . 72 LYS CA . 17641 1 531 . 1 1 72 72 LYS CB C 13 33.149 0.020 . 1 . . . . 72 LYS CB . 17641 1 532 . 1 1 73 73 GLN H H 1 8.144 0.002 . 1 . . . . 73 GLN HN . 17641 1 533 . 1 1 73 73 GLN HA H 1 4.564 0.002 . 1 . . . . 73 GLN HA . 17641 1 534 . 1 1 73 73 GLN HB2 H 1 1.911 0.002 . 2 . . . . 73 GLN QB . 17641 1 535 . 1 1 73 73 GLN HB3 H 1 1.911 0.002 . 2 . . . . 73 GLN QB . 17641 1 536 . 1 1 73 73 GLN HG2 H 1 2.345 0.002 . 2 . . . . 73 GLN QG . 17641 1 537 . 1 1 73 73 GLN HG3 H 1 2.345 0.002 . 2 . . . . 73 GLN QG . 17641 1 538 . 1 1 73 73 GLN CA C 13 53.722 0.020 . 1 . . . . 73 GLN CA . 17641 1 539 . 1 1 73 73 GLN CB C 13 29.162 0.020 . 1 . . . . 73 GLN CB . 17641 1 540 . 1 1 73 73 GLN N N 15 121.641 0.020 . 1 . . . . 73 GLN N . 17641 1 541 . 1 1 75 75 PRO HA H 1 4.405 0.002 . 1 . . . . 75 PRO HA . 17641 1 542 . 1 1 75 75 PRO HB2 H 1 2.203 0.002 . 2 . . . . 75 PRO HB2 . 17641 1 543 . 1 1 75 75 PRO HB3 H 1 1.882 0.002 . 2 . . . . 75 PRO HB3 . 17641 1 544 . 1 1 75 75 PRO CA C 13 63.530 0.020 . 1 . . . . 75 PRO CA . 17641 1 545 . 1 1 75 75 PRO CB C 13 31.953 0.020 . 1 . . . . 75 PRO CB . 17641 1 546 . 1 1 76 76 ASN H H 1 8.331 0.002 . 1 . . . . 76 ASN HN . 17641 1 547 . 1 1 76 76 ASN HA H 1 4.691 0.002 . 1 . . . . 76 ASN HA . 17641 1 548 . 1 1 76 76 ASN HB2 H 1 2.753 0.002 . 2 . . . . 76 ASN QB . 17641 1 549 . 1 1 76 76 ASN HB3 H 1 2.753 0.002 . 2 . . . . 76 ASN QB . 17641 1 550 . 1 1 76 76 ASN CA C 13 53.323 0.020 . 1 . . . . 76 ASN CA . 17641 1 551 . 1 1 76 76 ASN CB C 13 39.130 0.020 . 1 . . . . 76 ASN CB . 17641 1 552 . 1 1 76 76 ASN N N 15 118.058 0.020 . 1 . . . . 76 ASN N . 17641 1 553 . 1 1 77 77 LYS HA H 1 4.373 0.002 . 1 . . . . 77 LYS HA . 17641 1 554 . 1 1 77 77 LYS HB2 H 1 1.884 0.002 . 2 . . . . 77 LYS HB2 . 17641 1 555 . 1 1 77 77 LYS HB3 H 1 1.704 0.002 . 2 . . . . 77 LYS HB3 . 17641 1 556 . 1 1 77 77 LYS CA C 13 56.382 0.020 . 1 . . . . 77 LYS CA . 17641 1 557 . 1 1 77 77 LYS CB C 13 33.149 0.020 . 1 . . . . 77 LYS CB . 17641 1 558 . 1 1 78 78 GLN H H 1 8.145 0.002 . 1 . . . . 78 GLN HN . 17641 1 559 . 1 1 78 78 GLN HA H 1 4.258 0.002 . 1 . . . . 78 GLN HA . 17641 1 560 . 1 1 78 78 GLN HB2 H 1 2.013 0.002 . 2 . . . . 78 GLN HB2 . 17641 1 561 . 1 1 78 78 GLN CA C 13 56.592 0.020 . 1 . . . . 78 GLN CA . 17641 1 562 . 1 1 78 78 GLN CB C 13 30.438 0.020 . 1 . . . . 78 GLN CB . 17641 1 563 . 1 1 78 78 GLN N N 15 120.314 0.020 . 1 . . . . 78 GLN N . 17641 1 564 . 1 1 79 79 ILE H H 1 8.038 0.002 . 1 . . . . 79 ILE HN . 17641 1 565 . 1 1 79 79 ILE HA H 1 4.283 0.002 . 1 . . . . 79 ILE HA . 17641 1 566 . 1 1 79 79 ILE HB H 1 1.860 0.002 . 1 . . . . 79 ILE HB . 17641 1 567 . 1 1 79 79 ILE CA C 13 61.212 0.020 . 1 . . . . 79 ILE CA . 17641 1 568 . 1 1 79 79 ILE CB C 13 38.891 0.020 . 1 . . . . 79 ILE CB . 17641 1 569 . 1 1 79 79 ILE N N 15 123.173 0.020 . 1 . . . . 79 ILE N . 17641 1 570 . 1 1 80 80 TRP H H 1 7.938 0.002 . 1 . . . . 80 TRP HN . 17641 1 571 . 1 1 80 80 TRP HA H 1 4.731 0.002 . 1 . . . . 80 TRP HA . 17641 1 572 . 1 1 80 80 TRP HB2 H 1 3.250 0.002 . 2 . . . . 80 TRP HB2 . 17641 1 573 . 1 1 80 80 TRP HB3 H 1 3.148 0.002 . 2 . . . . 80 TRP HB3 . 17641 1 574 . 1 1 80 80 TRP CA C 13 57.151 0.020 . 1 . . . . 80 TRP CA . 17641 1 575 . 1 1 80 80 TRP CB C 13 29.880 0.020 . 1 . . . . 80 TRP CB . 17641 1 576 . 1 1 80 80 TRP N N 15 123.488 0.020 . 1 . . . . 80 TRP N . 17641 1 577 . 1 1 81 81 LEU H H 1 7.843 0.002 . 1 . . . . 81 LEU HN . 17641 1 578 . 1 1 81 81 LEU HA H 1 4.311 0.002 . 1 . . . . 81 LEU HA . 17641 1 579 . 1 1 81 81 LEU HB2 H 1 1.464 0.002 . 2 . . . . 81 LEU QB . 17641 1 580 . 1 1 81 81 LEU HB3 H 1 1.464 0.002 . 2 . . . . 81 LEU QB . 17641 1 581 . 1 1 81 81 LEU CA C 13 55.154 0.020 . 1 . . . . 81 LEU CA . 17641 1 582 . 1 1 81 81 LEU CB C 13 42.900 0.020 . 1 . . . . 81 LEU CB . 17641 1 583 . 1 1 81 81 LEU N N 15 123.034 0.020 . 1 . . . . 81 LEU N . 17641 1 584 . 1 1 82 82 ALA H H 1 7.876 0.002 . 1 . . . . 82 ALA HN . 17641 1 585 . 1 1 82 82 ALA HA H 1 4.271 0.002 . 1 . . . . 82 ALA HA . 17641 1 586 . 1 1 82 82 ALA HB1 H 1 1.337 0.002 . 1 . . . . 82 ALA QB . 17641 1 587 . 1 1 82 82 ALA HB2 H 1 1.337 0.002 . 1 . . . . 82 ALA QB . 17641 1 588 . 1 1 82 82 ALA HB3 H 1 1.337 0.002 . 1 . . . . 82 ALA QB . 17641 1 589 . 1 1 82 82 ALA CA C 13 52.301 0.020 . 1 . . . . 82 ALA CA . 17641 1 590 . 1 1 82 82 ALA CB C 13 19.400 0.020 . 1 . . . . 82 ALA CB . 17641 1 591 . 1 1 82 82 ALA N N 15 123.680 0.020 . 1 . . . . 82 ALA N . 17641 1 592 . 1 1 83 83 SER H H 1 7.948 0.002 . 1 . . . . 83 SER HN . 17641 1 593 . 1 1 83 83 SER HA H 1 4.728 0.002 . 1 . . . . 83 SER HA . 17641 1 594 . 1 1 83 83 SER HB2 H 1 3.833 0.002 . 2 . . . . 83 SER QB . 17641 1 595 . 1 1 83 83 SER HB3 H 1 3.833 0.002 . 2 . . . . 83 SER QB . 17641 1 596 . 1 1 83 83 SER CA C 13 57.144 0.020 . 1 . . . . 83 SER CA . 17641 1 597 . 1 1 83 83 SER CB C 13 64.051 0.020 . 1 . . . . 83 SER CB . 17641 1 598 . 1 1 83 83 SER N N 15 115.228 0.020 . 1 . . . . 83 SER N . 17641 1 599 . 1 1 84 84 PRO HA H 1 4.426 0.002 . 1 . . . . 84 PRO HA . 17641 1 600 . 1 1 84 84 PRO HB2 H 1 2.234 0.002 . 2 . . . . 84 PRO HB2 . 17641 1 601 . 1 1 84 84 PRO HB3 H 1 2.040 0.002 . 2 . . . . 84 PRO HB3 . 17641 1 602 . 1 1 84 84 PRO CA C 13 63.609 0.020 . 1 . . . . 84 PRO CA . 17641 1 603 . 1 1 84 84 PRO CB C 13 31.874 0.020 . 1 . . . . 84 PRO CB . 17641 1 604 . 1 1 85 85 LEU H H 1 8.013 0.002 . 1 . . . . 85 LEU HN . 17641 1 605 . 1 1 85 85 LEU HA H 1 4.334 0.002 . 1 . . . . 85 LEU HA . 17641 1 606 . 1 1 85 85 LEU HB2 H 1 1.605 0.002 . 2 . . . . 85 LEU QB . 17641 1 607 . 1 1 85 85 LEU HB3 H 1 1.605 0.002 . 2 . . . . 85 LEU QB . 17641 1 608 . 1 1 85 85 LEU CA C 13 55.476 0.020 . 1 . . . . 85 LEU CA . 17641 1 609 . 1 1 85 85 LEU CB C 13 42.240 0.020 . 1 . . . . 85 LEU CB . 17641 1 610 . 1 1 85 85 LEU N N 15 120.138 0.020 . 1 . . . . 85 LEU N . 17641 1 611 . 1 1 86 86 SER H H 1 7.935 0.002 . 1 . . . . 86 SER HN . 17641 1 612 . 1 1 86 86 SER HA H 1 4.481 0.002 . 1 . . . . 86 SER HA . 17641 1 613 . 1 1 86 86 SER HB2 H 1 3.850 0.002 . 2 . . . . 86 SER QB . 17641 1 614 . 1 1 86 86 SER HB3 H 1 3.850 0.002 . 2 . . . . 86 SER QB . 17641 1 615 . 1 1 86 86 SER CA C 13 58.344 0.020 . 1 . . . . 86 SER CA . 17641 1 616 . 1 1 86 86 SER CB C 13 64.372 0.020 . 1 . . . . 86 SER CB . 17641 1 617 . 1 1 86 86 SER N N 15 114.758 0.020 . 1 . . . . 86 SER N . 17641 1 618 . 1 1 87 87 GLY H H 1 8.030 0.002 . 1 . . . . 87 GLY HN . 17641 1 619 . 1 1 87 87 GLY HA2 H 1 4.086 0.002 . 2 . . . . 87 GLY QA . 17641 1 620 . 1 1 87 87 GLY HA3 H 1 4.086 0.002 . 2 . . . . 87 GLY QA . 17641 1 621 . 1 1 87 87 GLY CA C 13 44.846 0.020 . 1 . . . . 87 GLY CA . 17641 1 622 . 1 1 87 87 GLY N N 15 110.130 0.020 . 1 . . . . 87 GLY N . 17641 1 623 . 1 1 88 88 PRO HA H 1 4.406 0.002 . 1 . . . . 88 PRO HA . 17641 1 624 . 1 1 88 88 PRO HB2 H 1 2.243 0.002 . 2 . . . . 88 PRO HB2 . 17641 1 625 . 1 1 88 88 PRO HB3 H 1 1.885 0.002 . 2 . . . . 88 PRO HB3 . 17641 1 626 . 1 1 88 88 PRO CA C 13 63.370 0.020 . 1 . . . . 88 PRO CA . 17641 1 627 . 1 1 88 88 PRO CB C 13 31.794 0.020 . 1 . . . . 88 PRO CB . 17641 1 628 . 1 1 89 89 ASN H H 1 8.192 0.002 . 1 . . . . 89 ASN HN . 17641 1 629 . 1 1 89 89 ASN HA H 1 4.626 0.002 . 1 . . . . 89 ASN HA . 17641 1 630 . 1 1 89 89 ASN HB2 H 1 2.804 0.002 . 2 . . . . 89 ASN QB . 17641 1 631 . 1 1 89 89 ASN HB3 H 1 2.804 0.002 . 2 . . . . 89 ASN QB . 17641 1 632 . 1 1 89 89 ASN CA C 13 53.483 0.020 . 1 . . . . 89 ASN CA . 17641 1 633 . 1 1 89 89 ASN CB C 13 38.651 0.020 . 1 . . . . 89 ASN CB . 17641 1 634 . 1 1 89 89 ASN N N 15 117.267 0.020 . 1 . . . . 89 ASN N . 17641 1 635 . 1 1 90 90 ARG HA H 1 4.329 0.002 . 1 . . . . 90 ARG HA . 17641 1 636 . 1 1 90 90 ARG HB2 H 1 1.878 0.002 . 2 . . . . 90 ARG HB2 . 17641 1 637 . 1 1 90 90 ARG HB3 H 1 1.764 0.002 . 2 . . . . 90 ARG HB3 . 17641 1 638 . 1 1 90 90 ARG CA C 13 56.356 0.020 . 1 . . . . 90 ARG CA . 17641 1 639 . 1 1 90 90 ARG CB C 13 30.598 0.020 . 1 . . . . 90 ARG CB . 17641 1 640 . 1 1 91 91 PHE H H 1 8.073 0.002 . 1 . . . . 91 PHE HN . 17641 1 641 . 1 1 91 91 PHE HA H 1 4.558 0.002 . 1 . . . . 91 PHE HA . 17641 1 642 . 1 1 91 91 PHE HB2 H 1 3.128 0.002 . 2 . . . . 91 PHE HB2 . 17641 1 643 . 1 1 91 91 PHE HB3 H 1 2.890 0.002 . 2 . . . . 91 PHE HB3 . 17641 1 644 . 1 1 91 91 PHE CA C 13 58.028 0.020 . 1 . . . . 91 PHE CA . 17641 1 645 . 1 1 91 91 PHE CB C 13 39.528 0.020 . 1 . . . . 91 PHE CB . 17641 1 646 . 1 1 91 91 PHE N N 15 119.936 0.020 . 1 . . . . 91 PHE N . 17641 1 647 . 1 1 92 92 ASP H H 1 7.977 0.002 . 1 . . . . 92 ASP HN . 17641 1 648 . 1 1 92 92 ASP HA H 1 4.428 0.002 . 1 . . . . 92 ASP HA . 17641 1 649 . 1 1 92 92 ASP HB2 H 1 2.587 0.002 . 2 . . . . 92 ASP QB . 17641 1 650 . 1 1 92 92 ASP HB3 H 1 2.587 0.002 . 2 . . . . 92 ASP QB . 17641 1 651 . 1 1 92 92 ASP CA C 13 55.319 0.020 . 1 . . . . 92 ASP CA . 17641 1 652 . 1 1 92 92 ASP CB C 13 40.886 0.020 . 1 . . . . 92 ASP CB . 17641 1 653 . 1 1 92 92 ASP N N 15 118.948 0.020 . 1 . . . . 92 ASP N . 17641 1 654 . 1 1 93 93 LEU H H 1 7.855 0.002 . 1 . . . . 93 LEU HN . 17641 1 655 . 1 1 93 93 LEU HA H 1 4.245 0.002 . 1 . . . . 93 LEU HA . 17641 1 656 . 1 1 93 93 LEU HB2 H 1 1.515 0.002 . 2 . . . . 93 LEU QB . 17641 1 657 . 1 1 93 93 LEU HB3 H 1 1.515 0.002 . 2 . . . . 93 LEU QB . 17641 1 658 . 1 1 93 93 LEU CA C 13 55.636 0.020 . 1 . . . . 93 LEU CA . 17641 1 659 . 1 1 93 93 LEU CB C 13 42.399 0.020 . 1 . . . . 93 LEU CB . 17641 1 660 . 1 1 93 93 LEU N N 15 121.484 0.020 . 1 . . . . 93 LEU N . 17641 1 661 . 1 1 94 94 LEU H H 1 8.050 0.002 . 1 . . . . 94 LEU HN . 17641 1 662 . 1 1 94 94 LEU HA H 1 4.271 0.002 . 1 . . . . 94 LEU HA . 17641 1 663 . 1 1 94 94 LEU HB2 H 1 1.626 0.002 . 2 . . . . 94 LEU QB . 17641 1 664 . 1 1 94 94 LEU HB3 H 1 1.626 0.002 . 2 . . . . 94 LEU QB . 17641 1 665 . 1 1 94 94 LEU CA C 13 55.556 0.020 . 1 . . . . 94 LEU CA . 17641 1 666 . 1 1 94 94 LEU CB C 13 42.160 0.020 . 1 . . . . 94 LEU CB . 17641 1 667 . 1 1 94 94 LEU N N 15 120.559 0.020 . 1 . . . . 94 LEU N . 17641 1 668 . 1 1 95 95 ASN H H 1 8.186 0.002 . 1 . . . . 95 ASN HN . 17641 1 669 . 1 1 95 95 ASN HA H 1 4.634 0.002 . 1 . . . . 95 ASN HA . 17641 1 670 . 1 1 95 95 ASN HB2 H 1 2.824 0.002 . 2 . . . . 95 ASN HB2 . 17641 1 671 . 1 1 95 95 ASN HB3 H 1 2.702 0.002 . 2 . . . . 95 ASN HB3 . 17641 1 672 . 1 1 95 95 ASN CA C 13 53.644 0.020 . 1 . . . . 95 ASN CA . 17641 1 673 . 1 1 95 95 ASN CB C 13 39.208 0.020 . 1 . . . . 95 ASN CB . 17641 1 674 . 1 1 95 95 ASN N N 15 118.678 0.020 . 1 . . . . 95 ASN N . 17641 1 675 . 1 1 96 96 GLY H H 1 8.071 0.002 . 1 . . . . 96 GLY HN . 17641 1 676 . 1 1 96 96 GLY HA2 H 1 3.867 0.002 . 2 . . . . 96 GLY HA1 . 17641 1 677 . 1 1 96 96 GLY HA3 H 1 3.785 0.002 . 2 . . . . 96 GLY HA2 . 17641 1 678 . 1 1 96 96 GLY CA C 13 45.922 0.020 . 1 . . . . 96 GLY CA . 17641 1 679 . 1 1 96 96 GLY N N 15 107.625 0.020 . 1 . . . . 96 GLY N . 17641 1 680 . 1 1 97 97 GLU H H 1 8.071 0.002 . 1 . . . . 97 GLU HN . 17641 1 681 . 1 1 97 97 GLU HA H 1 4.286 0.002 . 1 . . . . 97 GLU HA . 17641 1 682 . 1 1 97 97 GLU HB2 H 1 1.962 0.002 . 2 . . . . 97 GLU QB . 17641 1 683 . 1 1 97 97 GLU HB3 H 1 1.962 0.002 . 2 . . . . 97 GLU QB . 17641 1 684 . 1 1 97 97 GLU CA C 13 56.630 0.020 . 1 . . . . 97 GLU CA . 17641 1 685 . 1 1 97 97 GLU CB C 13 30.651 0.020 . 1 . . . . 97 GLU CB . 17641 1 686 . 1 1 97 97 GLU N N 15 120.134 0.020 . 1 . . . . 97 GLU N . 17641 1 687 . 1 1 98 98 TRP H H 1 8.057 0.002 . 1 . . . . 98 TRP HN . 17641 1 688 . 1 1 98 98 TRP HA H 1 4.690 0.002 . 1 . . . . 98 TRP HA . 17641 1 689 . 1 1 98 98 TRP HB2 H 1 3.216 0.002 . 2 . . . . 98 TRP QB . 17641 1 690 . 1 1 98 98 TRP HB3 H 1 3.216 0.002 . 2 . . . . 98 TRP QB . 17641 1 691 . 1 1 98 98 TRP CA C 13 58.107 0.020 . 1 . . . . 98 TRP CA . 17641 1 692 . 1 1 98 98 TRP CB C 13 29.641 0.020 . 1 . . . . 98 TRP CB . 17641 1 693 . 1 1 98 98 TRP N N 15 121.042 0.020 . 1 . . . . 98 TRP N . 17641 1 694 . 1 1 99 99 VAL H H 1 7.975 0.002 . 1 . . . . 99 VAL HN . 17641 1 695 . 1 1 99 99 VAL HB H 1 2.089 0.002 . 1 . . . . 99 VAL HB . 17641 1 696 . 1 1 99 99 VAL HA H 1 4.105 0.002 . 1 . . . . 99 VAL HA . 17641 1 697 . 1 1 99 99 VAL CA C 13 62.334 0.020 . 1 . . . . 99 VAL CA . 17641 1 698 . 1 1 99 99 VAL CB C 13 32.990 0.020 . 1 . . . . 99 VAL CB . 17641 1 699 . 1 1 99 99 VAL N N 15 119.400 0.020 . 1 . . . . 99 VAL N . 17641 1 700 . 1 1 100 100 SER H H 1 8.089 0.002 . 1 . . . . 100 SER HN . 17641 1 701 . 1 1 100 100 SER HA H 1 4.418 0.002 . 1 . . . . 100 SER HA . 17641 1 702 . 1 1 100 100 SER HB2 H 1 3.818 0.002 . 2 . . . . 100 SER QB . 17641 1 703 . 1 1 100 100 SER HB3 H 1 3.818 0.002 . 2 . . . . 100 SER QB . 17641 1 704 . 1 1 100 100 SER CA C 13 58.511 0.020 . 1 . . . . 100 SER CA . 17641 1 705 . 1 1 100 100 SER CB C 13 63.883 0.020 . 1 . . . . 100 SER CB . 17641 1 706 . 1 1 100 100 SER N N 15 117.318 0.020 . 1 . . . . 100 SER N . 17641 1 707 . 1 1 101 101 LEU H H 1 7.973 0.002 . 1 . . . . 101 LEU HN . 17641 1 708 . 1 1 101 101 LEU HA H 1 4.301 0.002 . 1 . . . . 101 LEU HA . 17641 1 709 . 1 1 101 101 LEU HB2 H 1 1.413 0.002 . 2 . . . . 101 LEU QB . 17641 1 710 . 1 1 101 101 LEU HB3 H 1 1.413 0.002 . 2 . . . . 101 LEU QB . 17641 1 711 . 1 1 101 101 LEU CA C 13 55.317 0.020 . 1 . . . . 101 LEU CA . 17641 1 712 . 1 1 101 101 LEU CB C 13 42.558 0.020 . 1 . . . . 101 LEU CB . 17641 1 713 . 1 1 101 101 LEU N N 15 123.754 0.020 . 1 . . . . 101 LEU N . 17641 1 714 . 1 1 102 102 ARG HA H 1 4.233 0.002 . 1 . . . . 102 ARG HA . 17641 1 715 . 1 1 102 102 ARG HB2 H 1 1.771 0.002 . 2 . . . . 102 ARG HB2 . 17641 1 716 . 1 1 102 102 ARG HB3 H 1 1.847 0.002 . 2 . . . . 102 ARG HB3 . 17641 1 717 . 1 1 102 102 ARG CA C 13 56.248 0.020 . 1 . . . . 102 ARG CA . 17641 1 718 . 1 1 102 102 ARG CB C 13 30.224 0.020 . 1 . . . . 102 ARG CB . 17641 1 719 . 1 1 103 103 ASN H H 1 8.267 0.002 . 1 . . . . 103 ASN HN . 17641 1 720 . 1 1 103 103 ASN HA H 1 4.585 0.002 . 1 . . . . 103 ASN HA . 17641 1 721 . 1 1 103 103 ASN HB2 H 1 2.855 0.002 . 2 . . . . 103 ASN QB . 17641 1 722 . 1 1 103 103 ASN HB3 H 1 2.855 0.002 . 2 . . . . 103 ASN QB . 17641 1 723 . 1 1 103 103 ASN CA C 13 53.403 0.020 . 1 . . . . 103 ASN CA . 17641 1 724 . 1 1 103 103 ASN CB C 13 39.050 0.020 . 1 . . . . 103 ASN CB . 17641 1 725 . 1 1 103 103 ASN N N 15 122.189 0.020 . 1 . . . . 103 ASN N . 17641 1 726 . 1 1 104 104 GLY H H 1 8.072 0.002 . 1 . . . . 104 GLY HN . 17641 1 727 . 1 1 104 104 GLY HA2 H 1 3.888 0.002 . 2 . . . . 104 GLY HA1 . 17641 1 728 . 1 1 104 104 GLY HA3 H 1 3.786 0.002 . 2 . . . . 104 GLY HA2 . 17641 1 729 . 1 1 104 104 GLY CA C 13 45.907 0.020 . 1 . . . . 104 GLY CA . 17641 1 730 . 1 1 104 104 GLY N N 15 107.243 0.020 . 1 . . . . 104 GLY N . 17641 1 731 . 1 1 105 105 THR H H 1 7.883 0.002 . 1 . . . . 105 THR HN . 17641 1 732 . 1 1 105 105 THR HA H 1 4.321 0.002 . 1 . . . . 105 THR HA . 17641 1 733 . 1 1 105 105 THR HB H 1 4.170 0.002 . 1 . . . . 105 THR HB . 17641 1 734 . 1 1 105 105 THR CA C 13 62.204 0.020 . 1 . . . . 105 THR CA . 17641 1 735 . 1 1 105 105 THR CB C 13 70.094 0.020 . 1 . . . . 105 THR CB . 17641 1 736 . 1 1 105 105 THR N N 15 113.919 0.020 . 1 . . . . 105 THR N . 17641 1 737 . 1 1 106 106 LYS H H 1 8.285 0.002 . 1 . . . . 106 LYS HN . 17641 1 738 . 1 1 106 106 LYS HA H 1 4.322 0.002 . 1 . . . . 106 LYS HA . 17641 1 739 . 1 1 106 106 LYS HB2 H 1 1.911 0.002 . 2 . . . . 106 LYS HB2 . 17641 1 740 . 1 1 106 106 LYS HB3 H 1 1.758 0.002 . 2 . . . . 106 LYS HB3 . 17641 1 741 . 1 1 106 106 LYS CA C 13 56.065 0.020 . 1 . . . . 106 LYS CA . 17641 1 742 . 1 1 106 106 LYS CB C 13 33.211 0.020 . 1 . . . . 106 LYS CB . 17641 1 743 . 1 1 106 106 LYS N N 15 123.732 0.020 . 1 . . . . 106 LYS N . 17641 1 744 . 1 1 107 107 LEU H H 1 8.030 0.002 . 1 . . . . 107 LEU HN . 17641 1 745 . 1 1 107 107 LEU HB2 H 1 1.656 0.002 . 2 . . . . 107 LEU QB . 17641 1 746 . 1 1 107 107 LEU HB3 H 1 1.656 0.002 . 2 . . . . 107 LEU QB . 17641 1 747 . 1 1 107 107 LEU CA C 13 56.273 0.020 . 1 . . . . 107 LEU CA . 17641 1 748 . 1 1 107 107 LEU CB C 13 42.240 0.020 . 1 . . . . 107 LEU CB . 17641 1 749 . 1 1 107 107 LEU N N 15 121.123 0.020 . 1 . . . . 107 LEU N . 17641 1 750 . 1 1 108 108 THR H H 1 7.853 0.002 . 1 . . . . 108 THR HN . 17641 1 751 . 1 1 108 108 THR HA H 1 4.286 0.002 . 1 . . . . 108 THR HA . 17641 1 752 . 1 1 108 108 THR HB H 1 4.251 0.002 . 1 . . . . 108 THR HB . 17641 1 753 . 1 1 108 108 THR CA C 13 62.372 0.020 . 1 . . . . 108 THR CA . 17641 1 754 . 1 1 108 108 THR CB C 13 69.590 0.020 . 1 . . . . 108 THR CB . 17641 1 755 . 1 1 108 108 THR N N 15 111.955 0.020 . 1 . . . . 108 THR N . 17641 1 756 . 1 1 109 109 ASP H H 1 8.162 0.002 . 1 . . . . 109 ASP HN . 17641 1 757 . 1 1 109 109 ASP HA H 1 4.538 0.002 . 1 . . . . 109 ASP HA . 17641 1 758 . 1 1 109 109 ASP HB2 H 1 2.676 0.002 . 2 . . . . 109 ASP QB . 17641 1 759 . 1 1 109 109 ASP HB3 H 1 2.676 0.002 . 2 . . . . 109 ASP QB . 17641 1 760 . 1 1 109 109 ASP CA C 13 54.978 0.020 . 1 . . . . 109 ASP CA . 17641 1 761 . 1 1 109 109 ASP CB C 13 41.203 0.020 . 1 . . . . 109 ASP CB . 17641 1 762 . 1 1 109 109 ASP N N 15 122.025 0.020 . 1 . . . . 109 ASP N . 17641 1 763 . 1 1 110 110 ILE H H 1 7.800 0.002 . 1 . . . . 110 ILE HN . 17641 1 764 . 1 1 110 110 ILE HA H 1 4.156 0.002 . 1 . . . . 110 ILE HA . 17641 1 765 . 1 1 110 110 ILE HB H 1 1.860 0.002 . 1 . . . . 110 ILE HB . 17641 1 766 . 1 1 110 110 ILE CA C 13 61.533 0.020 . 1 . . . . 110 ILE CA . 17641 1 767 . 1 1 110 110 ILE CB C 13 38.872 0.020 . 1 . . . . 110 ILE CB . 17641 1 768 . 1 1 110 110 ILE N N 15 119.331 0.020 . 1 . . . . 110 ILE N . 17641 1 769 . 1 1 111 111 LEU H H 1 8.065 0.002 . 1 . . . . 111 LEU HN . 17641 1 770 . 1 1 111 111 LEU HA H 1 4.373 0.002 . 1 . . . . 111 LEU HA . 17641 1 771 . 1 1 111 111 LEU HB2 H 1 1.618 0.002 . 2 . . . . 111 LEU HB2 . 17641 1 772 . 1 1 111 111 LEU HB3 H 1 1.515 0.002 . 2 . . . . 111 LEU HB3 . 17641 1 773 . 1 1 111 111 LEU CA C 13 55.322 0.020 . 1 . . . . 111 LEU CA . 17641 1 774 . 1 1 111 111 LEU CB C 13 42.565 0.020 . 1 . . . . 111 LEU CB . 17641 1 775 . 1 1 111 111 LEU N N 15 125.210 0.020 . 1 . . . . 111 LEU N . 17641 1 776 . 1 1 112 112 THR H H 1 7.901 0.002 . 1 . . . . 112 THR HN . 17641 1 777 . 1 1 112 112 THR HA H 1 4.302 0.002 . 1 . . . . 112 THR HA . 17641 1 778 . 1 1 112 112 THR HB H 1 4.237 0.002 . 1 . . . . 112 THR HB . 17641 1 779 . 1 1 112 112 THR CA C 13 62.540 0.020 . 1 . . . . 112 THR CA . 17641 1 780 . 1 1 112 112 THR CB C 13 69.926 0.020 . 1 . . . . 112 THR CB . 17641 1 781 . 1 1 112 112 THR N N 15 114.444 0.020 . 1 . . . . 112 THR N . 17641 1 782 . 1 1 113 113 GLU H H 1 8.285 0.002 . 1 . . . . 113 GLU HN . 17641 1 783 . 1 1 113 113 GLU HA H 1 4.258 0.002 . 1 . . . . 113 GLU HA . 17641 1 784 . 1 1 113 113 GLU HB2 H 1 1.993 0.002 . 2 . . . . 113 GLU QB . 17641 1 785 . 1 1 113 113 GLU HB3 H 1 1.993 0.002 . 2 . . . . 113 GLU QB . 17641 1 786 . 1 1 113 113 GLU HG2 H 1 2.250 0.002 . 2 . . . . 113 GLU QG . 17641 1 787 . 1 1 113 113 GLU HG3 H 1 2.250 0.002 . 2 . . . . 113 GLU QG . 17641 1 788 . 1 1 113 113 GLU CA C 13 57.336 0.020 . 1 . . . . 113 GLU CA . 17641 1 789 . 1 1 113 113 GLU CB C 13 30.386 0.020 . 1 . . . . 113 GLU CB . 17641 1 790 . 1 1 113 113 GLU N N 15 122.240 0.020 . 1 . . . . 113 GLU N . 17641 1 791 . 1 1 114 114 GLU H H 1 8.180 0.002 . 1 . . . . 114 GLU HN . 17641 1 792 . 1 1 114 114 GLU HA H 1 4.251 0.002 . 1 . . . . 114 GLU HA . 17641 1 793 . 1 1 114 114 GLU HB2 H 1 2.045 0.002 . 2 . . . . 114 GLU HB2 . 17641 1 794 . 1 1 114 114 GLU HB3 H 1 1.951 0.002 . 2 . . . . 114 GLU HB3 . 17641 1 795 . 1 1 114 114 GLU HG2 H 1 2.264 0.002 . 2 . . . . 114 GLU QG . 17641 1 796 . 1 1 114 114 GLU HG3 H 1 2.264 0.002 . 2 . . . . 114 GLU QG . 17641 1 797 . 1 1 114 114 GLU CA C 13 57.151 0.020 . 1 . . . . 114 GLU CA . 17641 1 798 . 1 1 114 114 GLU CB C 13 30.040 0.020 . 1 . . . . 114 GLU CB . 17641 1 799 . 1 1 114 114 GLU N N 15 120.803 0.020 . 1 . . . . 114 GLU N . 17641 1 800 . 1 1 115 115 VAL H H 1 7.888 0.002 . 1 . . . . 115 VAL HN . 17641 1 801 . 1 1 115 115 VAL HA H 1 3.977 0.002 . 1 . . . . 115 VAL HA . 17641 1 802 . 1 1 115 115 VAL HB H 1 2.115 0.002 . 1 . . . . 115 VAL HB . 17641 1 803 . 1 1 115 115 VAL HG11 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 804 . 1 1 115 115 VAL HG12 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 805 . 1 1 115 115 VAL HG13 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 806 . 1 1 115 115 VAL HG21 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 807 . 1 1 115 115 VAL HG22 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 808 . 1 1 115 115 VAL HG23 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 809 . 1 1 115 115 VAL CA C 13 63.530 0.020 . 1 . . . . 115 VAL CA . 17641 1 810 . 1 1 115 115 VAL CB C 13 32.591 0.020 . 1 . . . . 115 VAL CB . 17641 1 811 . 1 1 115 115 VAL N N 15 120.268 0.020 . 1 . . . . 115 VAL N . 17641 1 812 . 1 1 116 116 GLU H H 1 8.261 0.002 . 1 . . . . 116 GLU HN . 17641 1 813 . 1 1 116 116 GLU HA H 1 4.172 0.002 . 1 . . . . 116 GLU HA . 17641 1 814 . 1 1 116 116 GLU HB2 H 1 2.004 0.002 . 2 . . . . 116 GLU QB . 17641 1 815 . 1 1 116 116 GLU HB3 H 1 2.004 0.002 . 2 . . . . 116 GLU QB . 17641 1 816 . 1 1 116 116 GLU HG2 H 1 2.207 0.002 . 2 . . . . 116 GLU QG . 17641 1 817 . 1 1 116 116 GLU HG3 H 1 2.207 0.002 . 2 . . . . 116 GLU QG . 17641 1 818 . 1 1 116 116 GLU CA C 13 57.868 0.020 . 1 . . . . 116 GLU CA . 17641 1 819 . 1 1 116 116 GLU CB C 13 29.960 0.020 . 1 . . . . 116 GLU CB . 17641 1 820 . 1 1 116 116 GLU N N 15 121.949 0.020 . 1 . . . . 116 GLU N . 17641 1 821 . 1 1 117 117 LYS H H 1 8.000 0.002 . 1 . . . . 117 LYS HN . 17641 1 822 . 1 1 117 117 LYS HA H 1 4.232 0.002 . 1 . . . . 117 LYS HA . 17641 1 823 . 1 1 117 117 LYS HB2 H 1 1.809 0.002 . 2 . . . . 117 LYS QB . 17641 1 824 . 1 1 117 117 LYS HB3 H 1 1.809 0.002 . 2 . . . . 117 LYS QB . 17641 1 825 . 1 1 117 117 LYS CA C 13 56.752 0.020 . 1 . . . . 117 LYS CA . 17641 1 826 . 1 1 117 117 LYS CB C 13 32.990 0.020 . 1 . . . . 117 LYS CB . 17641 1 827 . 1 1 117 117 LYS N N 15 120.722 0.020 . 1 . . . . 117 LYS N . 17641 1 828 . 1 1 118 118 ALA H H 1 7.983 0.002 . 1 . . . . 118 ALA HN . 17641 1 829 . 1 1 118 118 ALA HA H 1 4.296 0.002 . 1 . . . . 118 ALA HA . 17641 1 830 . 1 1 118 118 ALA HB1 H 1 1.292 0.002 . 1 . . . . 118 ALA QB . 17641 1 831 . 1 1 118 118 ALA HB2 H 1 1.292 0.002 . 1 . . . . 118 ALA QB . 17641 1 832 . 1 1 118 118 ALA HB3 H 1 1.292 0.002 . 1 . . . . 118 ALA QB . 17641 1 833 . 1 1 118 118 ALA CA C 13 52.622 0.020 . 1 . . . . 118 ALA CA . 17641 1 834 . 1 1 118 118 ALA CB C 13 19.261 0.020 . 1 . . . . 118 ALA CB . 17641 1 835 . 1 1 118 118 ALA N N 15 123.767 0.020 . 1 . . . . 118 ALA N . 17641 1 836 . 1 1 119 119 ILE H H 1 7.883 0.002 . 1 . . . . 119 ILE HN . 17641 1 837 . 1 1 119 119 ILE HA H 1 4.163 0.002 . 1 . . . . 119 ILE HA . 17641 1 838 . 1 1 119 119 ILE HB H 1 1.882 0.002 . 1 . . . . 119 ILE HB . 17641 1 839 . 1 1 119 119 ILE HG12 H 1 1.197 0.002 . 2 . . . . 119 ILE HG12 . 17641 1 840 . 1 1 119 119 ILE HG21 H 1 0.905 0.002 . 1 . . . . 119 ILE QG2 . 17641 1 841 . 1 1 119 119 ILE HG22 H 1 0.905 0.002 . 1 . . . . 119 ILE QG2 . 17641 1 842 . 1 1 119 119 ILE HG23 H 1 0.905 0.002 . 1 . . . . 119 ILE QG2 . 17641 1 843 . 1 1 119 119 ILE CA C 13 61.533 0.020 . 1 . . . . 119 ILE CA . 17641 1 844 . 1 1 119 119 ILE CB C 13 39.040 0.020 . 1 . . . . 119 ILE CB . 17641 1 845 . 1 1 119 119 ILE N N 15 118.471 0.020 . 1 . . . . 119 ILE N . 17641 1 846 . 1 1 120 120 SER H H 1 8.095 0.002 . 1 . . . . 120 SER HN . 17641 1 847 . 1 1 120 120 SER HA H 1 4.432 0.002 . 1 . . . . 120 SER HA . 17641 1 848 . 1 1 120 120 SER HB2 H 1 3.866 0.002 . 2 . . . . 120 SER QB . 17641 1 849 . 1 1 120 120 SER HB3 H 1 3.866 0.002 . 2 . . . . 120 SER QB . 17641 1 850 . 1 1 120 120 SER CA C 13 58.511 0.020 . 1 . . . . 120 SER CA . 17641 1 851 . 1 1 120 120 SER CB C 13 63.883 0.020 . 1 . . . . 120 SER CB . 17641 1 852 . 1 1 120 120 SER N N 15 118.545 0.020 . 1 . . . . 120 SER N . 17641 1 853 . 1 1 121 121 LYS H H 1 8.122 0.002 . 1 . . . . 121 LYS HN . 17641 1 854 . 1 1 121 121 LYS HA H 1 4.414 0.002 . 1 . . . . 121 LYS HA . 17641 1 855 . 1 1 121 121 LYS HB2 H 1 1.895 0.002 . 2 . . . . 121 LYS HB2 . 17641 1 856 . 1 1 121 121 LYS HB3 H 1 1.773 0.002 . 2 . . . . 121 LYS HB3 . 17641 1 857 . 1 1 121 121 LYS CA C 13 56.513 0.020 . 1 . . . . 121 LYS CA . 17641 1 858 . 1 1 121 121 LYS CB C 13 33.229 0.020 . 1 . . . . 121 LYS CB . 17641 1 859 . 1 1 121 121 LYS N N 15 122.987 0.020 . 1 . . . . 121 LYS N . 17641 1 860 . 1 1 122 122 SER H H 1 8.190 0.002 . 1 . . . . 122 SER HN . 17641 1 861 . 1 1 122 122 SER HA H 1 4.476 0.002 . 1 . . . . 122 SER HA . 17641 1 862 . 1 1 122 122 SER HB2 H 1 3.875 0.002 . 2 . . . . 122 SER QB . 17641 1 863 . 1 1 122 122 SER HB3 H 1 3.875 0.002 . 2 . . . . 122 SER QB . 17641 1 864 . 1 1 122 122 SER CA C 13 58.511 0.020 . 1 . . . . 122 SER CA . 17641 1 865 . 1 1 122 122 SER CB C 13 64.219 0.020 . 1 . . . . 122 SER CB . 17641 1 866 . 1 1 122 122 SER N N 15 117.166 0.020 . 1 . . . . 122 SER N . 17641 1 867 . 1 1 123 123 GLN H H 1 7.846 0.002 . 1 . . . . 123 GLN HN . 17641 1 868 . 1 1 123 123 GLN HA H 1 4.207 0.002 . 1 . . . . 123 GLN HA . 17641 1 869 . 1 1 123 123 GLN HB2 H 1 2.114 0.002 . 2 . . . . 123 GLN HB2 . 17641 1 870 . 1 1 123 123 GLN HB3 H 1 1.946 0.002 . 2 . . . . 123 GLN HB3 . 17641 1 871 . 1 1 123 123 GLN HG2 H 1 2.300 0.002 . 2 . . . . 123 GLN QG . 17641 1 872 . 1 1 123 123 GLN HG3 H 1 2.300 0.002 . 2 . . . . 123 GLN QG . 17641 1 873 . 1 1 123 123 GLN CA C 13 57.756 0.020 . 1 . . . . 123 GLN CA . 17641 1 874 . 1 1 123 123 GLN CB C 13 30.563 0.020 . 1 . . . . 123 GLN CB . 17641 1 875 . 1 1 123 123 GLN N N 15 126.667 0.020 . 1 . . . . 123 GLN N . 17641 1 stop_ save_