################################### # 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 18614 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18614 1 2 '2D 1H-13C HSQC' . . . 18614 1 3 '3D HNCACB' . . . 18614 1 4 '3D CBCA(CO)NH' . . . 18614 1 5 '3D 1H-15N NOESY' . . . 18614 1 6 '3D 1H-13C NOESY' . . . 18614 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 1 1 GLU HA H 1 4.2900 . . 1 . . . A 1 GLU HA . 18614 1 2 . 1 1 1 1 GLU HB2 H 1 1.9890 . . 2 . . . A 1 GLU HB2 . 18614 1 3 . 1 1 1 1 GLU HB3 H 1 2.0700 . . 2 . . . A 1 GLU HB3 . 18614 1 4 . 1 1 1 1 GLU HG2 H 1 2.3120 . . 2 . . . A 1 GLU HG2 . 18614 1 5 . 1 1 1 1 GLU HG3 H 1 2.2290 . . 2 . . . A 1 GLU HG3 . 18614 1 6 . 1 1 1 1 GLU H H 1 8.7040 . . 1 . . . A 1 GLU H1 . 18614 1 7 . 1 1 1 1 GLU CA C 13 57.7100 . . 1 . . . A 1 GLU CA . 18614 1 8 . 1 1 1 1 GLU CB C 13 30.2480 . . 1 . . . A 1 GLU CB . 18614 1 9 . 1 1 1 1 GLU CG C 13 36.7290 . . 1 . . . A 1 GLU CG . 18614 1 10 . 1 1 1 1 GLU N N 15 122.8780 . . 1 . . . A 1 GLU N . 18614 1 11 . 1 1 2 2 ASN H H 1 8.5310 . . 1 . . . A 2 ASN H . 18614 1 12 . 1 1 2 2 ASN HA H 1 4.6090 . . 1 . . . A 2 ASN HA . 18614 1 13 . 1 1 2 2 ASN HB2 H 1 2.7530 . . 2 . . . A 2 ASN HB2 . 18614 1 14 . 1 1 2 2 ASN HB3 H 1 2.8800 . . 2 . . . A 2 ASN HB3 . 18614 1 15 . 1 1 2 2 ASN CA C 13 54.6640 . . 1 . . . A 2 ASN CA . 18614 1 16 . 1 1 2 2 ASN CB C 13 38.3850 . . 1 . . . A 2 ASN CB . 18614 1 17 . 1 1 2 2 ASN N N 15 119.6970 . . 1 . . . A 2 ASN N . 18614 1 18 . 1 1 3 3 LYS H H 1 8.3090 . . 1 . . . A 3 LYS H . 18614 1 19 . 1 1 3 3 LYS HA H 1 4.0560 . . 1 . . . A 3 LYS HA . 18614 1 20 . 1 1 3 3 LYS HB2 H 1 1.8800 . . . . . . A 3 LYS HB2 . 18614 1 21 . 1 1 3 3 LYS HB3 H 1 1.8800 . . . . . . A 3 LYS HB3 . 18614 1 22 . 1 1 3 3 LYS HG2 H 1 1.5230 . . 2 . . . A 3 LYS HG2 . 18614 1 23 . 1 1 3 3 LYS HG3 H 1 1.4390 . . 2 . . . A 3 LYS HG3 . 18614 1 24 . 1 1 3 3 LYS HD2 H 1 1.6890 . . . . . . A 3 LYS HD2 . 18614 1 25 . 1 1 3 3 LYS HD3 H 1 1.6890 . . . . . . A 3 LYS HD3 . 18614 1 26 . 1 1 3 3 LYS HE2 H 1 2.9760 . . . . . . A 3 LYS HE2 . 18614 1 27 . 1 1 3 3 LYS HE3 H 1 2.9760 . . . . . . A 3 LYS HE3 . 18614 1 28 . 1 1 3 3 LYS CA C 13 59.1200 . . 1 . . . A 3 LYS CA . 18614 1 29 . 1 1 3 3 LYS CB C 13 31.0180 . . 1 . . . A 3 LYS CB . 18614 1 30 . 1 1 3 3 LYS CG C 13 24.6600 . . 1 . . . A 3 LYS CG . 18614 1 31 . 1 1 3 3 LYS CD C 13 29.1100 . . 1 . . . A 3 LYS CD . 18614 1 32 . 1 1 3 3 LYS CE C 13 44.0250 . . 1 . . . A 3 LYS CE . 18614 1 33 . 1 1 3 3 LYS N N 15 122.6700 . . 1 . . . A 3 LYS N . 18614 1 34 . 1 1 4 4 GLN H H 1 8.1140 . . 1 . . . A 4 GLN H . 18614 1 35 . 1 1 4 4 GLN HA H 1 4.1110 . . 1 . . . A 4 GLN HA . 18614 1 36 . 1 1 4 4 GLN HB2 H 1 2.0460 . . 2 . . . A 4 GLN HB2 . 18614 1 37 . 1 1 4 4 GLN HB3 H 1 2.2270 . . 2 . . . A 4 GLN HB3 . 18614 1 38 . 1 1 4 4 GLN HG2 H 1 2.4130 . . 2 . . . A 4 GLN HG2 . 18614 1 39 . 1 1 4 4 GLN HG3 H 1 2.4580 . . 2 . . . A 4 GLN HG3 . 18614 1 40 . 1 1 4 4 GLN CA C 13 59.1700 . . 1 . . . A 4 GLN CA . 18614 1 41 . 1 1 4 4 GLN CB C 13 28.9800 . . 1 . . . A 4 GLN CB . 18614 1 42 . 1 1 4 4 GLN CG C 13 34.9160 . . 1 . . . A 4 GLN CG . 18614 1 43 . 1 1 4 4 GLN N N 15 118.7610 . . 1 . . . A 4 GLN N . 18614 1 44 . 1 1 5 5 VAL H H 1 7.7920 . . 1 . . . A 5 VAL H . 18614 1 45 . 1 1 5 5 VAL HA H 1 3.4920 . . 1 . . . A 5 VAL HA . 18614 1 46 . 1 1 5 5 VAL HB H 1 2.2190 . . 1 . . . A 5 VAL HB . 18614 1 47 . 1 1 5 5 VAL HG11 H 1 1.0620 . . . . . . A 5 VAL HG11 . 18614 1 48 . 1 1 5 5 VAL HG12 H 1 1.0620 . . . . . . A 5 VAL HG12 . 18614 1 49 . 1 1 5 5 VAL HG13 H 1 1.0620 . . . . . . A 5 VAL HG13 . 18614 1 50 . 1 1 5 5 VAL HG21 H 1 0.8840 . . . . . . A 5 VAL HG21 . 18614 1 51 . 1 1 5 5 VAL HG22 H 1 0.8840 . . . . . . A 5 VAL HG22 . 18614 1 52 . 1 1 5 5 VAL HG23 H 1 0.8840 . . . . . . A 5 VAL HG23 . 18614 1 53 . 1 1 5 5 VAL CA C 13 66.9900 . . 1 . . . A 5 VAL CA . 18614 1 54 . 1 1 5 5 VAL CB C 13 32.0590 . . 1 . . . A 5 VAL CB . 18614 1 55 . 1 1 5 5 VAL CG1 C 13 24.1100 . . 2 . . . A 5 VAL CG1 . 18614 1 56 . 1 1 5 5 VAL CG2 C 13 20.9600 . . 2 . . . A 5 VAL CG2 . 18614 1 57 . 1 1 5 5 VAL N N 15 119.2750 . . 1 . . . A 5 VAL N . 18614 1 58 . 1 1 6 6 GLU H H 1 8.0830 . . 1 . . . A 6 GLU H . 18614 1 59 . 1 1 6 6 GLU HA H 1 3.9570 . . 1 . . . A 6 GLU HA . 18614 1 60 . 1 1 6 6 GLU HB2 H 1 2.0610 . . 2 . . . A 6 GLU HB2 . 18614 1 61 . 1 1 6 6 GLU HB3 H 1 2.1110 . . 2 . . . A 6 GLU HB3 . 18614 1 62 . 1 1 6 6 GLU HG2 H 1 2.3960 . . . . . . A 6 GLU HG2 . 18614 1 63 . 1 1 6 6 GLU HG3 H 1 2.3960 . . . . . . A 6 GLU HG3 . 18614 1 64 . 1 1 6 6 GLU CA C 13 59.1900 . . 1 . . . A 6 GLU CA . 18614 1 65 . 1 1 6 6 GLU CB C 13 28.9800 . . 1 . . . A 6 GLU CB . 18614 1 66 . 1 1 6 6 GLU CG C 13 36.0230 . . 1 . . . A 6 GLU CG . 18614 1 67 . 1 1 6 6 GLU N N 15 120.1240 . . 1 . . . A 6 GLU N . 18614 1 68 . 1 1 7 7 GLU H H 1 8.1260 . . 1 . . . A 7 GLU H . 18614 1 69 . 1 1 7 7 GLU HA H 1 4.3090 . . 1 . . . A 7 GLU HA . 18614 1 70 . 1 1 7 7 GLU HB2 H 1 2.1680 . . 2 . . . A 7 GLU HB2 . 18614 1 71 . 1 1 7 7 GLU HB3 H 1 2.0530 . . 2 . . . A 7 GLU HB3 . 18614 1 72 . 1 1 7 7 GLU HG2 H 1 2.3290 . . 2 . . . A 7 GLU HG2 . 18614 1 73 . 1 1 7 7 GLU HG3 H 1 2.3700 . . 2 . . . A 7 GLU HG3 . 18614 1 74 . 1 1 7 7 GLU CA C 13 58.8900 . . 1 . . . A 7 GLU CA . 18614 1 75 . 1 1 7 7 GLU CB C 13 29.5900 . . 1 . . . A 7 GLU CB . 18614 1 76 . 1 1 7 7 GLU CG C 13 35.5680 . . 1 . . . A 7 GLU CG . 18614 1 77 . 1 1 7 7 GLU N N 15 121.3980 . . 1 . . . A 7 GLU N . 18614 1 78 . 1 1 8 8 ILE H H 1 7.7670 . . 1 . . . A 8 ILE H . 18614 1 79 . 1 1 8 8 ILE HA H 1 3.5900 . . 1 . . . A 8 ILE HA . 18614 1 80 . 1 1 8 8 ILE HB H 1 1.9920 . . 1 . . . A 8 ILE HB . 18614 1 81 . 1 1 8 8 ILE HG12 H 1 1.0970 . . 2 . . . A 8 ILE HG12 . 18614 1 82 . 1 1 8 8 ILE HG13 H 1 1.8730 . . 2 . . . A 8 ILE HG13 . 18614 1 83 . 1 1 8 8 ILE HG21 H 1 0.8950 . . . . . . A 8 ILE HG21 . 18614 1 84 . 1 1 8 8 ILE HG22 H 1 0.8950 . . . . . . A 8 ILE HG22 . 18614 1 85 . 1 1 8 8 ILE HG23 H 1 0.8950 . . . . . . A 8 ILE HG23 . 18614 1 86 . 1 1 8 8 ILE HD11 H 1 0.8140 . . . . . . A 8 ILE HD11 . 18614 1 87 . 1 1 8 8 ILE HD12 H 1 0.8140 . . . . . . A 8 ILE HD12 . 18614 1 88 . 1 1 8 8 ILE HD13 H 1 0.8140 . . . . . . A 8 ILE HD13 . 18614 1 89 . 1 1 8 8 ILE CA C 13 65.8500 . . 1 . . . A 8 ILE CA . 18614 1 90 . 1 1 8 8 ILE CB C 13 37.6780 . . 1 . . . A 8 ILE CB . 18614 1 91 . 1 1 8 8 ILE CG1 C 13 30.7420 . . 1 . . . A 8 ILE CG1 . 18614 1 92 . 1 1 8 8 ILE CG2 C 13 18.2600 . . 1 . . . A 8 ILE CG2 . 18614 1 93 . 1 1 8 8 ILE CD1 C 13 15.0700 . . 1 . . . A 8 ILE CD1 . 18614 1 94 . 1 1 8 8 ILE N N 15 120.5530 . . 1 . . . A 8 ILE N . 18614 1 95 . 1 1 9 9 LEU H H 1 7.7840 . . 1 . . . A 9 LEU H . 18614 1 96 . 1 1 9 9 LEU HA H 1 4.0200 . . 1 . . . A 9 LEU HA . 18614 1 97 . 1 1 9 9 LEU HB2 H 1 1.4890 . . 2 . . . A 9 LEU HB2 . 18614 1 98 . 1 1 9 9 LEU HB3 H 1 1.8330 . . 2 . . . A 9 LEU HB3 . 18614 1 99 . 1 1 9 9 LEU HG H 1 1.7410 . . 1 . . . A 9 LEU HG . 18614 1 100 . 1 1 9 9 LEU HD11 H 1 0.7970 . . . . . . A 9 LEU HD11 . 18614 1 101 . 1 1 9 9 LEU HD12 H 1 0.7970 . . . . . . A 9 LEU HD12 . 18614 1 102 . 1 1 9 9 LEU HD13 H 1 0.7970 . . . . . . A 9 LEU HD13 . 18614 1 103 . 1 1 9 9 LEU HD21 H 1 0.7920 . . . . . . A 9 LEU HD21 . 18614 1 104 . 1 1 9 9 LEU HD22 H 1 0.7920 . . . . . . A 9 LEU HD22 . 18614 1 105 . 1 1 9 9 LEU HD23 H 1 0.7920 . . . . . . A 9 LEU HD23 . 18614 1 106 . 1 1 9 9 LEU CA C 13 57.9400 . . 1 . . . A 9 LEU CA . 18614 1 107 . 1 1 9 9 LEU CB C 13 41.0870 . . 1 . . . A 9 LEU CB . 18614 1 108 . 1 1 9 9 LEU CG C 13 27.5500 . . 1 . . . A 9 LEU CG . 18614 1 109 . 1 1 9 9 LEU CD1 C 13 22.8600 . . 2 . . . A 9 LEU CD1 . 18614 1 110 . 1 1 9 9 LEU CD2 C 13 23.2600 . . 2 . . . A 9 LEU CD2 . 18614 1 111 . 1 1 9 9 LEU N N 15 118.7120 . . 1 . . . A 9 LEU N . 18614 1 112 . 1 1 10 10 ARG H H 1 8.1400 . . 1 . . . A 10 ARG H . 18614 1 113 . 1 1 10 10 ARG HA H 1 4.0230 . . 1 . . . A 10 ARG HA . 18614 1 114 . 1 1 10 10 ARG HB2 H 1 2.0810 . . 2 . . . A 10 ARG HB2 . 18614 1 115 . 1 1 10 10 ARG HB3 H 1 1.9300 . . 2 . . . A 10 ARG HB3 . 18614 1 116 . 1 1 10 10 ARG HG2 H 1 1.7330 . . 2 . . . A 10 ARG HG2 . 18614 1 117 . 1 1 10 10 ARG HG3 H 1 1.5620 . . 2 . . . A 10 ARG HG3 . 18614 1 118 . 1 1 10 10 ARG HD2 H 1 3.1010 . . 2 . . . A 10 ARG HD2 . 18614 1 119 . 1 1 10 10 ARG HD3 H 1 3.3040 . . 2 . . . A 10 ARG HD3 . 18614 1 120 . 1 1 10 10 ARG CA C 13 59.7400 . . 1 . . . A 10 ARG CA . 18614 1 121 . 1 1 10 10 ARG CB C 13 29.3200 . . 1 . . . A 10 ARG CB . 18614 1 122 . 1 1 10 10 ARG CG C 13 26.9200 . . 1 . . . A 10 ARG CG . 18614 1 123 . 1 1 10 10 ARG CD C 13 45.105 . . 1 . . . A 10 ARG CD . 18614 1 124 . 1 1 10 10 ARG N N 15 121.1940 . . 1 . . . A 10 ARG N . 18614 1 125 . 1 1 11 11 LEU H H 1 8.3430 . . 1 . . . A 11 LEU H . 18614 1 126 . 1 1 11 11 LEU HA H 1 4.0670 . . 1 . . . A 11 LEU HA . 18614 1 127 . 1 1 11 11 LEU HB2 H 1 1.2960 . . 2 . . . A 11 LEU HB2 . 18614 1 128 . 1 1 11 11 LEU HB3 H 1 2.1020 . . 2 . . . A 11 LEU HB3 . 18614 1 129 . 1 1 11 11 LEU HG H 1 1.8610 . . 1 . . . A 11 LEU HG . 18614 1 130 . 1 1 11 11 LEU HD11 H 1 0.8470 . . . . . . A 11 LEU HD11 . 18614 1 131 . 1 1 11 11 LEU HD12 H 1 0.8470 . . . . . . A 11 LEU HD12 . 18614 1 132 . 1 1 11 11 LEU HD13 H 1 0.8470 . . . . . . A 11 LEU HD13 . 18614 1 133 . 1 1 11 11 LEU HD21 H 1 0.9360 . . . . . . A 11 LEU HD21 . 18614 1 134 . 1 1 11 11 LEU HD22 H 1 0.9360 . . . . . . A 11 LEU HD22 . 18614 1 135 . 1 1 11 11 LEU HD23 H 1 0.9360 . . . . . . A 11 LEU HD23 . 18614 1 136 . 1 1 11 11 LEU CA C 13 58.2400 . . 1 . . . A 11 LEU CA . 18614 1 137 . 1 1 11 11 LEU CB C 13 42.2190 . . 1 . . . A 11 LEU CB . 18614 1 138 . 1 1 11 11 LEU CG C 13 27.5500 . . 1 . . . A 11 LEU CG . 18614 1 139 . 1 1 11 11 LEU CD1 C 13 25.0400 . . 2 . . . A 11 LEU CD1 . 18614 1 140 . 1 1 11 11 LEU CD2 C 13 23.9200 . . 2 . . . A 11 LEU CD2 . 18614 1 141 . 1 1 11 11 LEU N N 15 121.2220 . . 1 . . . A 11 LEU N . 18614 1 142 . 1 1 12 12 GLU H H 1 8.5220 . . 1 . . . A 12 GLU H . 18614 1 143 . 1 1 12 12 GLU HA H 1 3.8770 . . 1 . . . A 12 GLU HA . 18614 1 144 . 1 1 12 12 GLU HB2 H 1 2.2210 . . 2 . . . A 12 GLU HB2 . 18614 1 145 . 1 1 12 12 GLU HB3 H 1 2.0810 . . 2 . . . A 12 GLU HB3 . 18614 1 146 . 1 1 12 12 GLU HG2 H 1 2.6110 . . 2 . . . A 12 GLU HG2 . 18614 1 147 . 1 1 12 12 GLU HG3 H 1 2.1790 . . 2 . . . A 12 GLU HG3 . 18614 1 148 . 1 1 12 12 GLU CA C 13 60.4600 . . 1 . . . A 12 GLU CA . 18614 1 149 . 1 1 12 12 GLU CB C 13 29.8300 . . 1 . . . A 12 GLU CB . 18614 1 150 . 1 1 12 12 GLU CG C 13 37.6920 . . 1 . . . A 12 GLU CG . 18614 1 151 . 1 1 12 12 GLU N N 15 117.6130 . . 1 . . . A 12 GLU N . 18614 1 152 . 1 1 13 13 LYS H H 1 7.6660 . . 1 . . . A 13 LYS H . 18614 1 153 . 1 1 13 13 LYS HA H 1 4.1480 . . 1 . . . A 13 LYS HA . 18614 1 154 . 1 1 13 13 LYS HB2 H 1 2.0230 . . 2 . . . A 13 LYS HB2 . 18614 1 155 . 1 1 13 13 LYS HB3 H 1 1.9870 . . 2 . . . A 13 LYS HB3 . 18614 1 156 . 1 1 13 13 LYS HG2 H 1 1.5190 . . 2 . . . A 13 LYS HG2 . 18614 1 157 . 1 1 13 13 LYS HG3 H 1 1.5710 . . 2 . . . A 13 LYS HG3 . 18614 1 158 . 1 1 13 13 LYS HD2 H 1 1.7310 . . 2 . . . A 13 LYS HD2 . 18614 1 159 . 1 1 13 13 LYS HD3 H 1 1.6810 . . 2 . . . A 13 LYS HD3 . 18614 1 160 . 1 1 13 13 LYS HE2 H 1 2.9900 . . . . . . A 13 LYS HE2 . 18614 1 161 . 1 1 13 13 LYS HE3 H 1 2.9900 . . . . . . A 13 LYS HE3 . 18614 1 162 . 1 1 13 13 LYS CA C 13 58.7600 . . 1 . . . A 13 LYS CA . 18614 1 163 . 1 1 13 13 LYS CB C 13 31.7630 . . 1 . . . A 13 LYS CB . 18614 1 164 . 1 1 13 13 LYS CG C 13 24.6200 . . 1 . . . A 13 LYS CG . 18614 1 165 . 1 1 13 13 LYS CD C 13 28.7700 . . 1 . . . A 13 LYS CD . 18614 1 166 . 1 1 13 13 LYS CE C 13 44.2850 . . 1 . . . A 13 LYS CE . 18614 1 167 . 1 1 13 13 LYS N N 15 120.5330 . . 1 . . . A 13 LYS N . 18614 1 168 . 1 1 14 14 GLU H H 1 8.1830 . . 1 . . . A 14 GLU H . 18614 1 169 . 1 1 14 14 GLU HA H 1 4.0960 . . 1 . . . A 14 GLU HA . 18614 1 170 . 1 1 14 14 GLU HB2 H 1 2.1640 . . 2 . . . A 14 GLU HB2 . 18614 1 171 . 1 1 14 14 GLU HB3 H 1 2.1840 . . 2 . . . A 14 GLU HB3 . 18614 1 172 . 1 1 14 14 GLU HG2 H 1 2.4450 . . 2 . . . A 14 GLU HG2 . 18614 1 173 . 1 1 14 14 GLU HG3 H 1 2.2730 . . 2 . . . A 14 GLU HG3 . 18614 1 174 . 1 1 14 14 GLU CA C 13 59.7800 . . 1 . . . A 14 GLU CA . 18614 1 175 . 1 1 14 14 GLU CB C 13 29.6400 . . 1 . . . A 14 GLU CB . 18614 1 176 . 1 1 14 14 GLU CG C 13 36.1170 . . 1 . . . A 14 GLU CG . 18614 1 177 . 1 1 14 14 GLU N N 15 121.2660 . . 1 . . . A 14 GLU N . 18614 1 178 . 1 1 15 15 ILE H H 1 8.6640 . . 1 . . . A 15 ILE H . 18614 1 179 . 1 1 15 15 ILE HA H 1 3.4590 . . 1 . . . A 15 ILE HA . 18614 1 180 . 1 1 15 15 ILE HB H 1 1.9010 . . 1 . . . A 15 ILE HB . 18614 1 181 . 1 1 15 15 ILE HG12 H 1 1.9490 . . . . . . A 15 ILE HG12 . 18614 1 182 . 1 1 15 15 ILE HG13 H 1 1.9490 . . . . . . A 15 ILE HG13 . 18614 1 183 . 1 1 15 15 ILE HG21 H 1 0.9250 . . . . . . A 15 ILE HG21 . 18614 1 184 . 1 1 15 15 ILE HG22 H 1 0.9250 . . . . . . A 15 ILE HG22 . 18614 1 185 . 1 1 15 15 ILE HG23 H 1 0.9250 . . . . . . A 15 ILE HG23 . 18614 1 186 . 1 1 15 15 ILE HD11 H 1 0.7360 . . . . . . A 15 ILE HD11 . 18614 1 187 . 1 1 15 15 ILE HD12 H 1 0.7360 . . . . . . A 15 ILE HD12 . 18614 1 188 . 1 1 15 15 ILE HD13 H 1 0.7360 . . . . . . A 15 ILE HD13 . 18614 1 189 . 1 1 15 15 ILE CA C 13 66.4500 . . 1 . . . A 15 ILE CA . 18614 1 190 . 1 1 15 15 ILE CB C 13 38.6110 . . 1 . . . A 15 ILE CB . 18614 1 191 . 1 1 15 15 ILE CG1 C 13 32.3090 . . 1 . . . A 15 ILE CG1 . 18614 1 192 . 1 1 15 15 ILE CG2 C 13 17.4900 . . 1 . . . A 15 ILE CG2 . 18614 1 193 . 1 1 15 15 ILE CD1 C 13 13.7800 . . 1 . . . A 15 ILE CD1 . 18614 1 194 . 1 1 15 15 ILE N N 15 119.3970 . . 1 . . . A 15 ILE N . 18614 1 195 . 1 1 16 16 GLU H H 1 7.8290 . . 1 . . . A 16 GLU H . 18614 1 196 . 1 1 16 16 GLU HA H 1 4.0810 . . 1 . . . A 16 GLU HA . 18614 1 197 . 1 1 16 16 GLU HB2 H 1 2.1890 . . . . . . A 16 GLU HB2 . 18614 1 198 . 1 1 16 16 GLU HB3 H 1 2.1890 . . . . . . A 16 GLU HB3 . 18614 1 199 . 1 1 16 16 GLU HG2 H 1 2.4380 . . 2 . . . A 16 GLU HG2 . 18614 1 200 . 1 1 16 16 GLU HG3 H 1 2.2950 . . 2 . . . A 16 GLU HG3 . 18614 1 201 . 1 1 16 16 GLU CA C 13 59.5800 . . 1 . . . A 16 GLU CA . 18614 1 202 . 1 1 16 16 GLU CB C 13 29.6400 . . 1 . . . A 16 GLU CB . 18614 1 203 . 1 1 16 16 GLU CG C 13 36.3280 . . 1 . . . A 16 GLU CG . 18614 1 204 . 1 1 16 16 GLU N N 15 119.3840 . . 1 . . . A 16 GLU N . 18614 1 205 . 1 1 17 17 ASP H H 1 8.3640 . . 1 . . . A 17 ASP H . 18614 1 206 . 1 1 17 17 ASP HA H 1 4.4460 . . 1 . . . A 17 ASP HA . 18614 1 207 . 1 1 17 17 ASP HB2 H 1 2.6470 . . 2 . . . A 17 ASP HB2 . 18614 1 208 . 1 1 17 17 ASP HB3 H 1 2.8780 . . 2 . . . A 17 ASP HB3 . 18614 1 209 . 1 1 17 17 ASP CA C 13 57.7000 . . 1 . . . A 17 ASP CA . 18614 1 210 . 1 1 17 17 ASP CB C 13 40.2280 . . 1 . . . A 17 ASP CB . 18614 1 211 . 1 1 17 17 ASP N N 15 120.2280 . . 1 . . . A 17 ASP N . 18614 1 212 . 1 1 18 18 LEU H H 1 8.3040 . . 1 . . . A 18 LEU H . 18614 1 213 . 1 1 18 18 LEU HA H 1 4.1530 . . 1 . . . A 18 LEU HA . 18614 1 214 . 1 1 18 18 LEU HB2 H 1 2.0060 . . 2 . . . A 18 LEU HB2 . 18614 1 215 . 1 1 18 18 LEU HB3 H 1 1.3120 . . 2 . . . A 18 LEU HB3 . 18614 1 216 . 1 1 18 18 LEU HG H 1 1.9510 . . 1 . . . A 18 LEU HG . 18614 1 217 . 1 1 18 18 LEU HD11 H 1 0.8720 . . . . . . A 18 LEU HD11 . 18614 1 218 . 1 1 18 18 LEU HD12 H 1 0.8720 . . . . . . A 18 LEU HD12 . 18614 1 219 . 1 1 18 18 LEU HD13 H 1 0.8720 . . . . . . A 18 LEU HD13 . 18614 1 220 . 1 1 18 18 LEU HD21 H 1 0.8570 . . . . . . A 18 LEU HD21 . 18614 1 221 . 1 1 18 18 LEU HD22 H 1 0.8570 . . . . . . A 18 LEU HD22 . 18614 1 222 . 1 1 18 18 LEU HD23 H 1 0.8570 . . . . . . A 18 LEU HD23 . 18614 1 223 . 1 1 18 18 LEU CA C 13 58.2800 . . 1 . . . A 18 LEU CA . 18614 1 224 . 1 1 18 18 LEU CB C 13 42.4400 . . 1 . . . A 18 LEU CB . 18614 1 225 . 1 1 18 18 LEU CG C 13 26.6500 . . 1 . . . A 18 LEU CG . 18614 1 226 . 1 1 18 18 LEU CD1 C 13 22.5900 . . 2 . . . A 18 LEU CD1 . 18614 1 227 . 1 1 18 18 LEU CD2 C 13 26.9500 . . 2 . . . A 18 LEU CD2 . 18614 1 228 . 1 1 18 18 LEU N N 15 121.7060 . . 1 . . . A 18 LEU N . 18614 1 229 . 1 1 19 19 GLN H H 1 8.9250 . . 1 . . . A 19 GLN H . 18614 1 230 . 1 1 19 19 GLN HA H 1 3.9220 . . 1 . . . A 19 GLN HA . 18614 1 231 . 1 1 19 19 GLN HB2 H 1 2.0480 . . 2 . . . A 19 GLN HB2 . 18614 1 232 . 1 1 19 19 GLN HB3 H 1 2.3840 . . 2 . . . A 19 GLN HB3 . 18614 1 233 . 1 1 19 19 GLN HG2 H 1 2.3860 . . 2 . . . A 19 GLN HG2 . 18614 1 234 . 1 1 19 19 GLN HG3 H 1 2.5160 . . 2 . . . A 19 GLN HG3 . 18614 1 235 . 1 1 19 19 GLN CA C 13 59.5700 . . 1 . . . A 19 GLN CA . 18614 1 236 . 1 1 19 19 GLN CB C 13 28.1700 . . 1 . . . A 19 GLN CB . 18614 1 237 . 1 1 19 19 GLN CG C 13 34.0340 . . 1 . . . A 19 GLN CG . 18614 1 238 . 1 1 19 19 GLN N N 15 120.1070 . . 1 . . . A 19 GLN N . 18614 1 239 . 1 1 20 20 ARG H H 1 8.2220 . . 1 . . . A 20 ARG H . 18614 1 240 . 1 1 20 20 ARG HA H 1 4.1410 . . 1 . . . A 20 ARG HA . 18614 1 241 . 1 1 20 20 ARG HB2 H 1 1.7040 . . 2 . . . A 20 ARG HB2 . 18614 1 242 . 1 1 20 20 ARG HB3 H 1 1.8560 . . 2 . . . A 20 ARG HB3 . 18614 1 243 . 1 1 20 20 ARG HG2 H 1 1.9870 . . 2 . . . A 20 ARG HG2 . 18614 1 244 . 1 1 20 20 ARG HG3 H 1 2.0490 . . 2 . . . A 20 ARG HG3 . 18614 1 245 . 1 1 20 20 ARG HD2 H 1 3.2670 . . . . . . A 20 ARG HD2 . 18614 1 246 . 1 1 20 20 ARG HD3 H 1 3.2670 . . . . . . A 20 ARG HD3 . 18614 1 247 . 1 1 20 20 ARG CA C 13 59.4300 . . 1 . . . A 20 ARG CA . 18614 1 248 . 1 1 20 20 ARG CB C 13 29.3900 . . 1 . . . A 20 ARG CB . 18614 1 249 . 1 1 20 20 ARG CG C 13 30.2560 . . 1 . . . A 20 ARG CG . 18614 1 250 . 1 1 20 20 ARG CD C 13 45.3350 . . 1 . . . A 20 ARG CD . 18614 1 251 . 1 1 20 20 ARG N N 15 119.9040 . . 1 . . . A 20 ARG N . 18614 1 252 . 1 1 21 21 MET H H 1 7.8780 . . 1 . . . A 21 MET H . 18614 1 253 . 1 1 21 21 MET HA H 1 4.1660 . . 1 . . . A 21 MET HA . 18614 1 254 . 1 1 21 21 MET HB2 H 1 2.1810 . . 2 . . . A 21 MET HB2 . 18614 1 255 . 1 1 21 21 MET HB3 H 1 2.3240 . . 2 . . . A 21 MET HB3 . 18614 1 256 . 1 1 21 21 MET HG2 H 1 2.5610 . . 2 . . . A 21 MET HG2 . 18614 1 257 . 1 1 21 21 MET HG3 H 1 2.7030 . . 2 . . . A 21 MET HG3 . 18614 1 258 . 1 1 21 21 MET HE1 H 1 2.0840 . . . . . . A 21 MET HE1 . 18614 1 259 . 1 1 21 21 MET HE2 H 1 2.0840 . . . . . . A 21 MET HE2 . 18614 1 260 . 1 1 21 21 MET HE3 H 1 2.0840 . . . . . . A 21 MET HE3 . 18614 1 261 . 1 1 21 21 MET CA C 13 58.9800 . . 1 . . . A 21 MET CA . 18614 1 262 . 1 1 21 21 MET CB C 13 33.0500 . . 1 . . . A 21 MET CB . 18614 1 263 . 1 1 21 21 MET CG C 13 32.0790 . . 1 . . . A 21 MET CG . 18614 1 264 . 1 1 21 21 MET CE C 13 16.9400 . . 1 . . . A 21 MET CE . 18614 1 265 . 1 1 21 21 MET N N 15 119.7970 . . 1 . . . A 21 MET N . 18614 1 266 . 1 1 22 22 LYS H H 1 8.7410 . . 1 . . . A 22 LYS H . 18614 1 267 . 1 1 22 22 LYS HA H 1 3.6950 . . 1 . . . A 22 LYS HA . 18614 1 268 . 1 1 22 22 LYS HB2 H 1 1.8020 . . 2 . . . A 22 LYS HB2 . 18614 1 269 . 1 1 22 22 LYS HB3 H 1 2.0850 . . 2 . . . A 22 LYS HB3 . 18614 1 270 . 1 1 22 22 LYS HG2 H 1 1.5300 . . . . . . A 22 LYS HG2 . 18614 1 271 . 1 1 22 22 LYS HG3 H 1 1.5300 . . . . . . A 22 LYS HG3 . 18614 1 272 . 1 1 22 22 LYS HD2 H 1 1.8150 . . 2 . . . A 22 LYS HD2 . 18614 1 273 . 1 1 22 22 LYS HD3 H 1 1.5220 . . 2 . . . A 22 LYS HD3 . 18614 1 274 . 1 1 22 22 LYS HE2 H 1 2.9360 . . . . . . A 22 LYS HE2 . 18614 1 275 . 1 1 22 22 LYS HE3 H 1 2.9360 . . . . . . A 22 LYS HE3 . 18614 1 276 . 1 1 22 22 LYS CA C 13 60.6000 . . 1 . . . A 22 LYS CA . 18614 1 277 . 1 1 22 22 LYS CB C 13 31.8810 . . 1 . . . A 22 LYS CB . 18614 1 278 . 1 1 22 22 LYS CG C 13 24.8900 . . 1 . . . A 22 LYS CG . 18614 1 279 . 1 1 22 22 LYS CD C 13 29.3300 . . 1 . . . A 22 LYS CD . 18614 1 280 . 1 1 22 22 LYS CE C 13 43.2150 . . 1 . . . A 22 LYS CE . 18614 1 281 . 1 1 22 22 LYS N N 15 121.7180 . . 1 . . . A 22 LYS N . 18614 1 282 . 1 1 23 23 GLU H H 1 8.3520 . . 1 . . . A 23 GLU H . 18614 1 283 . 1 1 23 23 GLU HA H 1 4.1270 . . 1 . . . A 23 GLU HA . 18614 1 284 . 1 1 23 23 GLU HB2 H 1 2.1980 . . 2 . . . A 23 GLU HB2 . 18614 1 285 . 1 1 23 23 GLU HB3 H 1 2.2570 . . 2 . . . A 23 GLU HB3 . 18614 1 286 . 1 1 23 23 GLU HG2 H 1 2.4710 . . . . . . A 23 GLU HG2 . 18614 1 287 . 1 1 23 23 GLU HG3 H 1 2.4710 . . . . . . A 23 GLU HG3 . 18614 1 288 . 1 1 23 23 GLU CA C 13 59.3900 . . 1 . . . A 23 GLU CA . 18614 1 289 . 1 1 23 23 GLU CB C 13 29.6400 . . 1 . . . A 23 GLU CB . 18614 1 290 . 1 1 23 23 GLU CG C 13 36.3210 . . 1 . . . A 23 GLU CG . 18614 1 291 . 1 1 23 23 GLU N N 15 119.0390 . . 1 . . . A 23 GLU N . 18614 1 292 . 1 1 24 24 GLN H H 1 7.9460 . . 1 . . . A 24 GLN H . 18614 1 293 . 1 1 24 24 GLN HA H 1 4.0000 . . 1 . . . A 24 GLN HA . 18614 1 294 . 1 1 24 24 GLN HB2 H 1 2.1880 . . 2 . . . A 24 GLN HB2 . 18614 1 295 . 1 1 24 24 GLN HB3 H 1 2.2420 . . 2 . . . A 24 GLN HB3 . 18614 1 296 . 1 1 24 24 GLN HG2 H 1 2.4450 . . 2 . . . A 24 GLN HG2 . 18614 1 297 . 1 1 24 24 GLN HG3 H 1 2.5100 . . 2 . . . A 24 GLN HG3 . 18614 1 298 . 1 1 24 24 GLN CA C 13 58.8900 . . 1 . . . A 24 GLN CA . 18614 1 299 . 1 1 24 24 GLN CB C 13 28.3700 . . 1 . . . A 24 GLN CB . 18614 1 300 . 1 1 24 24 GLN CG C 13 34.0350 . . 1 . . . A 24 GLN CG . 18614 1 301 . 1 1 24 24 GLN N N 15 117.5750 . . 1 . . . A 24 GLN N . 18614 1 302 . 1 1 25 25 GLN H H 1 8.0850 . . 1 . . . A 25 GLN H . 18614 1 303 . 1 1 25 25 GLN HA H 1 4.0750 . . 1 . . . A 25 GLN HA . 18614 1 304 . 1 1 25 25 GLN HB2 H 1 2.1030 . . . . . . A 25 GLN HB2 . 18614 1 305 . 1 1 25 25 GLN HB3 H 1 2.1030 . . . . . . A 25 GLN HB3 . 18614 1 306 . 1 1 25 25 GLN HG2 H 1 2.4240 . . . . . . A 25 GLN HG2 . 18614 1 307 . 1 1 25 25 GLN HG3 H 1 2.4240 . . . . . . A 25 GLN HG3 . 18614 1 308 . 1 1 25 25 GLN CA C 13 58.7600 . . 1 . . . A 25 GLN CA . 18614 1 309 . 1 1 25 25 GLN CB C 13 28.7900 . . 1 . . . A 25 GLN CB . 18614 1 310 . 1 1 25 25 GLN CG C 13 34.2580 . . 1 . . . A 25 GLN CG . 18614 1 311 . 1 1 25 25 GLN N N 15 118.6730 . . 1 . . . A 25 GLN N . 18614 1 312 . 1 1 26 26 GLU H H 1 8.6150 . . 1 . . . A 26 GLU H . 18614 1 313 . 1 1 26 26 GLU HA H 1 3.7850 . . 1 . . . A 26 GLU HA . 18614 1 314 . 1 1 26 26 GLU HB2 H 1 2.0190 . . 2 . . . A 26 GLU HB2 . 18614 1 315 . 1 1 26 26 GLU HB3 H 1 2.2240 . . 2 . . . A 26 GLU HB3 . 18614 1 316 . 1 1 26 26 GLU HG2 H 1 2.1020 . . 2 . . . A 26 GLU HG2 . 18614 1 317 . 1 1 26 26 GLU HG3 H 1 2.3390 . . 2 . . . A 26 GLU HG3 . 18614 1 318 . 1 1 26 26 GLU CA C 13 60.0400 . . 1 . . . A 26 GLU CA . 18614 1 319 . 1 1 26 26 GLU CB C 13 29.9600 . . 1 . . . A 26 GLU CB . 18614 1 320 . 1 1 26 26 GLU CG C 13 37.4440 . . 1 . . . A 26 GLU CG . 18614 1 321 . 1 1 26 26 GLU N N 15 121.4790 . . 1 . . . A 26 GLU N . 18614 1 322 . 1 1 27 27 LEU H H 1 7.9010 . . 1 . . . A 27 LEU H . 18614 1 323 . 1 1 27 27 LEU HA H 1 4.2060 . . 1 . . . A 27 LEU HA . 18614 1 324 . 1 1 27 27 LEU HB2 H 1 1.8460 . . 2 . . . A 27 LEU HB2 . 18614 1 325 . 1 1 27 27 LEU HB3 H 1 1.6180 . . 2 . . . A 27 LEU HB3 . 18614 1 326 . 1 1 27 27 LEU HG H 1 1.8870 . . 1 . . . A 27 LEU HG . 18614 1 327 . 1 1 27 27 LEU HD11 H 1 0.9040 . . . . . . A 27 LEU HD11 . 18614 1 328 . 1 1 27 27 LEU HD12 H 1 0.9040 . . . . . . A 27 LEU HD12 . 18614 1 329 . 1 1 27 27 LEU HD13 H 1 0.9040 . . . . . . A 27 LEU HD13 . 18614 1 330 . 1 1 27 27 LEU HD21 H 1 0.8980 . . . . . . A 27 LEU HD21 . 18614 1 331 . 1 1 27 27 LEU HD22 H 1 0.8980 . . . . . . A 27 LEU HD22 . 18614 1 332 . 1 1 27 27 LEU HD23 H 1 0.8980 . . . . . . A 27 LEU HD23 . 18614 1 333 . 1 1 27 27 LEU CA C 13 56.9700 . . 1 . . . A 27 LEU CA . 18614 1 334 . 1 1 27 27 LEU CB C 13 41.9860 . . 1 . . . A 27 LEU CB . 18614 1 335 . 1 1 27 27 LEU CG C 13 27.0700 . . 1 . . . A 27 LEU CG . 18614 1 336 . 1 1 27 27 LEU CD1 C 13 25.3900 . . 2 . . . A 27 LEU CD1 . 18614 1 337 . 1 1 27 27 LEU CD2 C 13 23.0500 . . 2 . . . A 27 LEU CD2 . 18614 1 338 . 1 1 27 27 LEU N N 15 117.8300 . . 1 . . . A 27 LEU N . 18614 1 339 . 1 1 28 28 SER H H 1 7.4040 . . 1 . . . A 28 SER H . 18614 1 340 . 1 1 28 28 SER HA H 1 4.5060 . . 1 . . . A 28 SER HA . 18614 1 341 . 1 1 28 28 SER HB2 H 1 4.0060 . . 2 . . . A 28 SER HB2 . 18614 1 342 . 1 1 28 28 SER HB3 H 1 3.9560 . . 2 . . . A 28 SER HB3 . 18614 1 343 . 1 1 28 28 SER CA C 13 58.7000 . . 1 . . . A 28 SER CA . 18614 1 344 . 1 1 28 28 SER CB C 13 64.0300 . . 1 . . . A 28 SER CB . 18614 1 345 . 1 1 28 28 SER N N 15 112.1950 . . 1 . . . A 28 SER N . 18614 1 346 . 1 1 29 29 LEU H H 1 7.2030 . . 1 . . . A 29 LEU H . 18614 1 347 . 1 1 29 29 LEU HA H 1 4.3980 . . 1 . . . A 29 LEU HA . 18614 1 348 . 1 1 29 29 LEU HB2 H 1 1.4840 . . 2 . . . A 29 LEU HB2 . 18614 1 349 . 1 1 29 29 LEU HB3 H 1 1.8840 . . 2 . . . A 29 LEU HB3 . 18614 1 350 . 1 1 29 29 LEU HG H 1 2.0890 . . 1 . . . A 29 LEU HG . 18614 1 351 . 1 1 29 29 LEU HD11 H 1 0.7670 . . . . . . A 29 LEU HD11 . 18614 1 352 . 1 1 29 29 LEU HD12 H 1 0.7670 . . . . . . A 29 LEU HD12 . 18614 1 353 . 1 1 29 29 LEU HD13 H 1 0.7670 . . . . . . A 29 LEU HD13 . 18614 1 354 . 1 1 29 29 LEU HD21 H 1 0.8260 . . . . . . A 29 LEU HD21 . 18614 1 355 . 1 1 29 29 LEU HD22 H 1 0.8260 . . . . . . A 29 LEU HD22 . 18614 1 356 . 1 1 29 29 LEU HD23 H 1 0.8260 . . . . . . A 29 LEU HD23 . 18614 1 357 . 1 1 29 29 LEU CA C 13 55.2140 . . 1 . . . A 29 LEU CA . 18614 1 358 . 1 1 29 29 LEU CB C 13 42.5020 . . 1 . . . A 29 LEU CB . 18614 1 359 . 1 1 29 29 LEU CG C 13 25.7000 . . 1 . . . A 29 LEU CG . 18614 1 360 . 1 1 29 29 LEU CD1 C 13 23.0900 . . 2 . . . A 29 LEU CD1 . 18614 1 361 . 1 1 29 29 LEU CD2 C 13 26.5300 . . 2 . . . A 29 LEU CD2 . 18614 1 362 . 1 1 29 29 LEU N N 15 121.9540 . . 1 . . . A 29 LEU N . 18614 1 363 . 1 1 30 30 THR H H 1 8.1820 . . 1 . . . A 30 THR H . 18614 1 364 . 1 1 30 30 THR HA H 1 4.4190 . . 1 . . . A 30 THR HA . 18614 1 365 . 1 1 30 30 THR HB H 1 4.7000 . . 1 . . . A 30 THR HB . 18614 1 366 . 1 1 30 30 THR HG21 H 1 1.4390 . . . . . . A 30 THR HG21 . 18614 1 367 . 1 1 30 30 THR HG22 H 1 1.4390 . . . . . . A 30 THR HG22 . 18614 1 368 . 1 1 30 30 THR HG23 H 1 1.4390 . . . . . . A 30 THR HG23 . 18614 1 369 . 1 1 30 30 THR CA C 13 60.8600 . . 1 . . . A 30 THR CA . 18614 1 370 . 1 1 30 30 THR CB C 13 70.9600 . . 1 . . . A 30 THR CB . 18614 1 371 . 1 1 30 30 THR CG2 C 13 21.7700 . . 1 . . . A 30 THR CG2 . 18614 1 372 . 1 1 30 30 THR N N 15 111.7030 . . 1 . . . A 30 THR N . 18614 1 373 . 1 1 31 31 GLU H H 1 8.9010 . . 1 . . . A 31 GLU H . 18614 1 374 . 1 1 31 31 GLU HA H 1 3.9960 . . 1 . . . A 31 GLU HA . 18614 1 375 . 1 1 31 31 GLU HB2 H 1 2.0590 . . 2 . . . A 31 GLU HB2 . 18614 1 376 . 1 1 31 31 GLU HB3 H 1 2.1080 . . 2 . . . A 31 GLU HB3 . 18614 1 377 . 1 1 31 31 GLU HG2 H 1 2.2920 . . 2 . . . A 31 GLU HG2 . 18614 1 378 . 1 1 31 31 GLU HG3 H 1 2.3720 . . 2 . . . A 31 GLU HG3 . 18614 1 379 . 1 1 31 31 GLU CA C 13 60.3500 . . 1 . . . A 31 GLU CA . 18614 1 380 . 1 1 31 31 GLU CB C 13 29.6500 . . 1 . . . A 31 GLU CB . 18614 1 381 . 1 1 31 31 GLU CG C 13 36.4560 . . 1 . . . A 31 GLU CG . 18614 1 382 . 1 1 31 31 GLU N N 15 121.2110 . . 1 . . . A 31 GLU N . 18614 1 383 . 1 1 32 32 ALA H H 1 8.4520 . . 1 . . . A 32 ALA H . 18614 1 384 . 1 1 32 32 ALA HA H 1 4.2100 . . 1 . . . A 32 ALA HA . 18614 1 385 . 1 1 32 32 ALA HB1 H 1 1.4420 . . . . . . A 32 ALA HB1 . 18614 1 386 . 1 1 32 32 ALA HB2 H 1 1.4420 . . . . . . A 32 ALA HB2 . 18614 1 387 . 1 1 32 32 ALA HB3 H 1 1.4420 . . . . . . A 32 ALA HB3 . 18614 1 388 . 1 1 32 32 ALA CA C 13 55.1200 . . 1 . . . A 32 ALA CA . 18614 1 389 . 1 1 32 32 ALA CB C 13 18.1800 . . 1 . . . A 32 ALA CB . 18614 1 390 . 1 1 32 32 ALA N N 15 120.3700 . . 1 . . . A 32 ALA N . 18614 1 391 . 1 1 33 33 SER H H 1 7.8230 . . 1 . . . A 33 SER H . 18614 1 392 . 1 1 33 33 SER HA H 1 4.2290 . . 1 . . . A 33 SER HA . 18614 1 393 . 1 1 33 33 SER HB2 H 1 3.7640 . . 2 . . . A 33 SER HB2 . 18614 1 394 . 1 1 33 33 SER HB3 H 1 4.0790 . . 2 . . . A 33 SER HB3 . 18614 1 395 . 1 1 33 33 SER CA C 13 61.6900 . . 1 . . . A 33 SER CA . 18614 1 396 . 1 1 33 33 SER CB C 13 63.3800 . . 1 . . . A 33 SER CB . 18614 1 397 . 1 1 33 33 SER N N 15 116.3050 . . 1 . . . A 33 SER N . 18614 1 398 . 1 1 34 34 LEU H H 1 8.6940 . . 1 . . . A 34 LEU H . 18614 1 399 . 1 1 34 34 LEU HA H 1 4.0240 . . 1 . . . A 34 LEU HA . 18614 1 400 . 1 1 34 34 LEU HB2 H 1 1.6890 . . 2 . . . A 34 LEU HB2 . 18614 1 401 . 1 1 34 34 LEU HB3 H 1 1.7820 . . 2 . . . A 34 LEU HB3 . 18614 1 402 . 1 1 34 34 LEU HG H 1 1.5980 . . 1 . . . A 34 LEU HG . 18614 1 403 . 1 1 34 34 LEU HD11 H 1 0.9080 . . . . . . A 34 LEU HD11 . 18614 1 404 . 1 1 34 34 LEU HD12 H 1 0.9080 . . . . . . A 34 LEU HD12 . 18614 1 405 . 1 1 34 34 LEU HD13 H 1 0.9080 . . . . . . A 34 LEU HD13 . 18614 1 406 . 1 1 34 34 LEU HD21 H 1 0.9320 . . . . . . A 34 LEU HD21 . 18614 1 407 . 1 1 34 34 LEU HD22 H 1 0.9320 . . . . . . A 34 LEU HD22 . 18614 1 408 . 1 1 34 34 LEU HD23 H 1 0.9320 . . . . . . A 34 LEU HD23 . 18614 1 409 . 1 1 34 34 LEU CA C 13 58.1500 . . 1 . . . A 34 LEU CA . 18614 1 410 . 1 1 34 34 LEU CB C 13 41.2850 . . 1 . . . A 34 LEU CB . 18614 1 411 . 1 1 34 34 LEU CG C 13 26.6500 . . 1 . . . A 34 LEU CG . 18614 1 412 . 1 1 34 34 LEU CD1 C 13 24.2900 . . 2 . . . A 34 LEU CD1 . 18614 1 413 . 1 1 34 34 LEU CD2 C 13 24.0300 . . 2 . . . A 34 LEU CD2 . 18614 1 414 . 1 1 34 34 LEU N N 15 124.7500 . . 1 . . . A 34 LEU N . 18614 1 415 . 1 1 35 35 GLN H H 1 7.9310 . . 1 . . . A 35 GLN H . 18614 1 416 . 1 1 35 35 GLN HA H 1 4.0920 . . 1 . . . A 35 GLN HA . 18614 1 417 . 1 1 35 35 GLN HB2 H 1 2.1590 . . 2 . . . A 35 GLN HB2 . 18614 1 418 . 1 1 35 35 GLN HB3 H 1 2.2040 . . 2 . . . A 35 GLN HB3 . 18614 1 419 . 1 1 35 35 GLN HG2 H 1 2.5170 . . 2 . . . A 35 GLN HG2 . 18614 1 420 . 1 1 35 35 GLN HG3 H 1 2.4020 . . 2 . . . A 35 GLN HG3 . 18614 1 421 . 1 1 35 35 GLN CA C 13 58.9600 . . 1 . . . A 35 GLN CA . 18614 1 422 . 1 1 35 35 GLN CB C 13 28.0000 . . 1 . . . A 35 GLN CB . 18614 1 423 . 1 1 35 35 GLN CG C 13 33.7190 . . 1 . . . A 35 GLN CG . 18614 1 424 . 1 1 35 35 GLN N N 15 119.1450 . . 1 . . . A 35 GLN N . 18614 1 425 . 1 1 36 36 LYS H H 1 7.5660 . . 1 . . . A 36 LYS H . 18614 1 426 . 1 1 36 36 LYS HA H 1 4.1570 . . 1 . . . A 36 LYS HA . 18614 1 427 . 1 1 36 36 LYS HB2 H 1 2.0210 . . . . . . A 36 LYS HB2 . 18614 1 428 . 1 1 36 36 LYS HB3 H 1 2.0210 . . . . . . A 36 LYS HB3 . 18614 1 429 . 1 1 36 36 LYS HG2 H 1 1.5850 . . . . . . A 36 LYS HG2 . 18614 1 430 . 1 1 36 36 LYS HG3 H 1 1.5850 . . . . . . A 36 LYS HG3 . 18614 1 431 . 1 1 36 36 LYS HD2 H 1 1.7790 . . . . . . A 36 LYS HD2 . 18614 1 432 . 1 1 36 36 LYS HD3 H 1 1.7790 . . . . . . A 36 LYS HD3 . 18614 1 433 . 1 1 36 36 LYS HE2 H 1 2.9720 . . . . . . A 36 LYS HE2 . 18614 1 434 . 1 1 36 36 LYS HE3 H 1 2.9720 . . . . . . A 36 LYS HE3 . 18614 1 435 . 1 1 36 36 LYS CA C 13 58.3800 . . 1 . . . A 36 LYS CA . 18614 1 436 . 1 1 36 36 LYS CB C 13 31.9220 . . 1 . . . A 36 LYS CB . 18614 1 437 . 1 1 36 36 LYS CG C 13 24.4700 . . 1 . . . A 36 LYS CG . 18614 1 438 . 1 1 36 36 LYS CD C 13 27.9100 . . 1 . . . A 36 LYS CD . 18614 1 439 . 1 1 36 36 LYS CE C 13 43.9650 . . 1 . . . A 36 LYS CE . 18614 1 440 . 1 1 36 36 LYS N N 15 120.0620 . . 1 . . . A 36 LYS N . 18614 1 441 . 1 1 37 37 LEU H H 1 8.4100 . . 1 . . . A 37 LEU H . 18614 1 442 . 1 1 37 37 LEU HA H 1 4.0180 . . 1 . . . A 37 LEU HA . 18614 1 443 . 1 1 37 37 LEU HB2 H 1 1.5360 . . 2 . . . A 37 LEU HB2 . 18614 1 444 . 1 1 37 37 LEU HB3 H 1 2.1680 . . 2 . . . A 37 LEU HB3 . 18614 1 445 . 1 1 37 37 LEU HD11 H 1 0.9430 . . . . . . A 37 LEU HD11 . 18614 1 446 . 1 1 37 37 LEU HD12 H 1 0.9430 . . . . . . A 37 LEU HD12 . 18614 1 447 . 1 1 37 37 LEU HD13 H 1 0.9430 . . . . . . A 37 LEU HD13 . 18614 1 448 . 1 1 37 37 LEU HD21 H 1 0.9260 . . . . . . A 37 LEU HD21 . 18614 1 449 . 1 1 37 37 LEU HD22 H 1 0.9260 . . . . . . A 37 LEU HD22 . 18614 1 450 . 1 1 37 37 LEU HD23 H 1 0.9260 . . . . . . A 37 LEU HD23 . 18614 1 451 . 1 1 37 37 LEU CA C 13 56.9200 . . 1 . . . A 37 LEU CA . 18614 1 452 . 1 1 37 37 LEU CB C 13 41.6820 . . 1 . . . A 37 LEU CB . 18614 1 453 . 1 1 37 37 LEU CG C 13 24.9800 . . 1 . . . A 37 LEU CG . 18614 1 454 . 1 1 37 37 LEU CD1 C 13 26.3700 . . 2 . . . A 37 LEU CD1 . 18614 1 455 . 1 1 37 37 LEU CD2 C 13 23.8300 . . 2 . . . A 37 LEU CD2 . 18614 1 456 . 1 1 37 37 LEU N N 15 121.2110 . . 1 . . . A 37 LEU N . 18614 1 457 . 1 1 38 38 GLN H H 1 8.0430 . . 1 . . . A 38 GLN H . 18614 1 458 . 1 1 38 38 GLN HA H 1 3.9600 . . 1 . . . A 38 GLN HA . 18614 1 459 . 1 1 38 38 GLN HB2 H 1 2.1590 . . 2 . . . A 38 GLN HB2 . 18614 1 460 . 1 1 38 38 GLN HB3 H 1 2.2320 . . 2 . . . A 38 GLN HB3 . 18614 1 461 . 1 1 38 38 GLN HG2 H 1 2.3870 . . . . . . A 38 GLN HG2 . 18614 1 462 . 1 1 38 38 GLN HG3 H 1 2.3870 . . . . . . A 38 GLN HG3 . 18614 1 463 . 1 1 38 38 GLN CA C 13 58.7900 . . 1 . . . A 38 GLN CA . 18614 1 464 . 1 1 38 38 GLN CB C 13 28.1600 . . 1 . . . A 38 GLN CB . 18614 1 465 . 1 1 38 38 GLN CG C 13 34.0770 . . 1 . . . A 38 GLN CG . 18614 1 466 . 1 1 38 38 GLN N N 15 118.1990 . . 1 . . . A 38 GLN N . 18614 1 467 . 1 1 39 39 GLU H H 1 8.4000 . . 1 . . . A 39 GLU H . 18614 1 468 . 1 1 39 39 GLU HA H 1 4.1130 . . 1 . . . A 39 GLU HA . 18614 1 469 . 1 1 39 39 GLU HB2 H 1 2.1750 . . 2 . . . A 39 GLU HB2 . 18614 1 470 . 1 1 39 39 GLU HB3 H 1 2.2140 . . 2 . . . A 39 GLU HB3 . 18614 1 471 . 1 1 39 39 GLU HG2 H 1 2.4630 . . 2 . . . A 39 GLU HG2 . 18614 1 472 . 1 1 39 39 GLU HG3 H 1 2.5150 . . 2 . . . A 39 GLU HG3 . 18614 1 473 . 1 1 39 39 GLU CA C 13 59.3400 . . 1 . . . A 39 GLU CA . 18614 1 474 . 1 1 39 39 GLU CB C 13 30.0000 . . 1 . . . A 39 GLU CB . 18614 1 475 . 1 1 39 39 GLU CG C 13 34.0320 . . 1 . . . A 39 GLU CG . 18614 1 476 . 1 1 39 39 GLU N N 15 120.0000 . . 1 . . . A 39 GLU N . 18614 1 477 . 1 1 40 40 ARG H H 1 8.3370 . . 1 . . . A 40 ARG H . 18614 1 478 . 1 1 40 40 ARG HA H 1 4.1180 . . 1 . . . A 40 ARG HA . 18614 1 479 . 1 1 40 40 ARG HB2 H 1 1.8560 . . 2 . . . A 40 ARG HB2 . 18614 1 480 . 1 1 40 40 ARG HB3 H 1 2.0240 . . 2 . . . A 40 ARG HB3 . 18614 1 481 . 1 1 40 40 ARG HG2 H 1 1.7450 . . 2 . . . A 40 ARG HG2 . 18614 1 482 . 1 1 40 40 ARG HG3 H 1 1.6040 . . 2 . . . A 40 ARG HG3 . 18614 1 483 . 1 1 40 40 ARG HD2 H 1 3.2690 . . 2 . . . A 40 ARG HD2 . 18614 1 484 . 1 1 40 40 ARG HD3 H 1 3.1350 . . 2 . . . A 40 ARG HD3 . 18614 1 485 . 1 1 40 40 ARG CA C 13 57.7600 . . 1 . . . A 40 ARG CA . 18614 1 486 . 1 1 40 40 ARG CB C 13 29.4100 . . 1 . . . A 40 ARG CB . 18614 1 487 . 1 1 40 40 ARG CG C 13 28.7600 . . 1 . . . A 40 ARG CG . 18614 1 488 . 1 1 40 40 ARG CD C 13 43.5150 . . 1 . . . A 40 ARG CD . 18614 1 489 . 1 1 40 40 ARG N N 15 119.7150 . . 1 . . . A 40 ARG N . 18614 1 490 . 1 1 41 41 ARG H H 1 8.5190 . . 1 . . . A 41 ARG H . 18614 1 491 . 1 1 41 41 ARG HA H 1 3.9440 . . 1 . . . A 41 ARG HA . 18614 1 492 . 1 1 41 41 ARG HB2 H 1 1.8210 . . 2 . . . A 41 ARG HB2 . 18614 1 493 . 1 1 41 41 ARG HB3 H 1 1.9310 . . 2 . . . A 41 ARG HB3 . 18614 1 494 . 1 1 41 41 ARG HG2 H 1 1.6040 . . 2 . . . A 41 ARG HG2 . 18614 1 495 . 1 1 41 41 ARG HG3 H 1 1.8210 . . 2 . . . A 41 ARG HG3 . 18614 1 496 . 1 1 41 41 ARG HD2 H 1 3.1130 . . 2 . . . A 41 ARG HD2 . 18614 1 497 . 1 1 41 41 ARG HD3 H 1 3.0420 . . 2 . . . A 41 ARG HD3 . 18614 1 498 . 1 1 41 41 ARG CA C 13 59.9800 . . 1 . . . A 41 ARG CA . 18614 1 499 . 1 1 41 41 ARG CB C 13 30.4260 . . 1 . . . A 41 ARG CB . 18614 1 500 . 1 1 41 41 ARG CG C 13 28.1600 . . 1 . . . A 41 ARG CG . 18614 1 501 . 1 1 41 41 ARG CD C 13 45.7050 . . 1 . . . A 41 ARG CD . 18614 1 502 . 1 1 41 41 ARG N N 15 120.5600 . . 1 . . . A 41 ARG N . 18614 1 503 . 1 1 42 42 ASP H H 1 8.2630 . . 1 . . . A 42 ASP H . 18614 1 504 . 1 1 42 42 ASP HA H 1 4.4530 . . 1 . . . A 42 ASP HA . 18614 1 505 . 1 1 42 42 ASP HB2 H 1 2.6880 . . 2 . . . A 42 ASP HB2 . 18614 1 506 . 1 1 42 42 ASP HB3 H 1 2.8030 . . 2 . . . A 42 ASP HB3 . 18614 1 507 . 1 1 42 42 ASP CA C 13 57.1400 . . 1 . . . A 42 ASP CA . 18614 1 508 . 1 1 42 42 ASP CB C 13 40.5870 . . 1 . . . A 42 ASP CB . 18614 1 509 . 1 1 42 42 ASP N N 15 120.2260 . . 1 . . . A 42 ASP N . 18614 1 510 . 1 1 43 43 GLN H H 1 8.1630 . . 1 . . . A 43 GLN H . 18614 1 511 . 1 1 43 43 GLN HA H 1 4.0700 . . 1 . . . A 43 GLN HA . 18614 1 512 . 1 1 43 43 GLN HB2 H 1 2.1610 . . 2 . . . A 43 GLN HB2 . 18614 1 513 . 1 1 43 43 GLN HB3 H 1 2.2620 . . 2 . . . A 43 GLN HB3 . 18614 1 514 . 1 1 43 43 GLN HG2 H 1 2.5860 . . 2 . . . A 43 GLN HG2 . 18614 1 515 . 1 1 43 43 GLN HG3 H 1 2.4130 . . 2 . . . A 43 GLN HG3 . 18614 1 516 . 1 1 43 43 GLN CA C 13 58.3800 . . 1 . . . A 43 GLN CA . 18614 1 517 . 1 1 43 43 GLN CB C 13 28.7900 . . 1 . . . A 43 GLN CB . 18614 1 518 . 1 1 43 43 GLN CG C 13 33.8640 . . 1 . . . A 43 GLN CG . 18614 1 519 . 1 1 43 43 GLN N N 15 119.6470 . . 1 . . . A 43 GLN N . 18614 1 520 . 1 1 44 44 GLU H H 1 8.4000 . . 1 . . . A 44 GLU H . 18614 1 521 . 1 1 44 44 GLU N N 15 120.0000 . . 1 . . . A 44 GLU N . 18614 1 522 . 1 1 45 45 LEU H H 1 7.9490 . . 1 . . . A 45 LEU H . 18614 1 523 . 1 1 45 45 LEU N N 15 120.4900 . . 1 . . . A 45 LEU N . 18614 1 524 . 1 1 46 46 ARG H H 1 8.4000 . . 1 . . . A 46 ARG H . 18614 1 525 . 1 1 46 46 ARG N N 15 120.0000 . . 1 . . . A 46 ARG N . 18614 1 526 . 1 1 47 47 ARG H H 1 7.9840 . . 1 . . . A 47 ARG H . 18614 1 527 . 1 1 47 47 ARG N N 15 118.9760 . . 1 . . . A 47 ARG N . 18614 1 528 . 1 1 48 48 LEU H H 1 8.0490 . . 1 . . . A 48 LEU H . 18614 1 529 . 1 1 48 48 LEU N N 15 120.2840 . . 1 . . . A 48 LEU N . 18614 1 530 . 1 1 49 49 GLU H H 1 8.2050 . . 1 . . . A 49 GLU H . 18614 1 531 . 1 1 49 49 GLU N N 15 120.5520 . . 1 . . . A 49 GLU N . 18614 1 532 . 1 1 50 50 GLU H H 1 8.0700 . . 1 . . . A 50 GLU H . 18614 1 533 . 1 1 50 50 GLU N N 15 119.8030 . . 1 . . . A 50 GLU N . 18614 1 534 . 1 1 51 51 GLU H H 1 8.2050 . . 1 . . . A 51 GLU H . 18614 1 535 . 1 1 51 51 GLU N N 15 120.4160 . . 1 . . . A 51 GLU N . 18614 1 stop_ save_