################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6624 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $13C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '1H15N HSQC' 1 $15N isotropic 6624 1 2 '15N NOESY' 1 $15N isotropic 6624 1 3 13C1H_HSQC 2 $13C15N isotropic 6624 1 4 HNCA 2 $13C15N isotropic 6624 1 5 HNcoCA 2 $13C15N isotropic 6624 1 6 HNCACB 2 $13C15N isotropic 6624 1 7 CBCAcoNH 2 $13C15N isotropic 6624 1 8 HNCO 2 $13C15N isotropic 6624 1 9 HAcacoNH 2 $13C15N isotropic 6624 1 10 'HCCH TOCSY' 2 $13C15N isotropic 6624 1 11 '13C NOESY' 2 $13C15N isotropic 6624 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 5 5 LYS HA H 1 4.29 0.02 . 1 . . . . 5 LYS HA . 6624 1 2 . 1 1 5 5 LYS C C 13 176.958 0.4 . 1 . . . . 5 LYS CO . 6624 1 3 . 1 1 6 6 CYS H H 1 8.344 0.02 . 1 . . . . 6 CYS HN . 6624 1 4 . 1 1 6 6 CYS HA H 1 4.407 0.02 . 1 . . . . 6 CYS HA . 6624 1 5 . 1 1 6 6 CYS HB2 H 1 2.877 0.02 . 1 . . . . 6 CYS HB# . 6624 1 6 . 1 1 6 6 CYS HB3 H 1 2.877 0.02 . 1 . . . . 6 CYS HB# . 6624 1 7 . 1 1 6 6 CYS C C 13 174.574 0.4 . 1 . . . . 6 CYS CO . 6624 1 8 . 1 1 6 6 CYS CA C 13 58.857 0.4 . 1 . . . . 6 CYS CA . 6624 1 9 . 1 1 6 6 CYS CB C 13 27.653 0.4 . 1 . . . . 6 CYS CB . 6624 1 10 . 1 1 6 6 CYS N N 15 120.373 0.1 . 1 . . . . 6 CYS N . 6624 1 11 . 1 1 7 7 LEU H H 1 8.154 0.02 . 1 . . . . 7 LEU HN . 6624 1 12 . 1 1 7 7 LEU HA H 1 4.342 0.02 . 1 . . . . 7 LEU HA . 6624 1 13 . 1 1 7 7 LEU HG H 1 1.591 0.02 . 1 . . . . 7 LEU HG . 6624 1 14 . 1 1 7 7 LEU HD11 H 1 0.81 0.02 . 2 . . . . 7 LEU HD1# . 6624 1 15 . 1 1 7 7 LEU HD12 H 1 0.81 0.02 . 2 . . . . 7 LEU HD1# . 6624 1 16 . 1 1 7 7 LEU HD13 H 1 0.81 0.02 . 2 . . . . 7 LEU HD1# . 6624 1 17 . 1 1 7 7 LEU HD21 H 1 0.881 0.02 . 2 . . . . 7 LEU HD2# . 6624 1 18 . 1 1 7 7 LEU HD22 H 1 0.881 0.02 . 2 . . . . 7 LEU HD2# . 6624 1 19 . 1 1 7 7 LEU HD23 H 1 0.881 0.02 . 2 . . . . 7 LEU HD2# . 6624 1 20 . 1 1 7 7 LEU C C 13 177.175 0.4 . 1 . . . . 7 LEU CO . 6624 1 21 . 1 1 7 7 LEU CA C 13 55.028 0.4 . 1 . . . . 7 LEU CA . 6624 1 22 . 1 1 7 7 LEU CG C 13 26.92 0.4 . 1 . . . . 7 LEU CG . 6624 1 23 . 1 1 7 7 LEU CD1 C 13 23.155 0.4 . 2 . . . . 7 LEU CD1 . 6624 1 24 . 1 1 7 7 LEU CD2 C 13 25.09 0.4 . 2 . . . . 7 LEU CD2 . 6624 1 25 . 1 1 7 7 LEU N N 15 123.617 0.1 . 1 . . . . 7 LEU N . 6624 1 26 . 1 1 8 8 GLN H H 1 8.184 0.02 . 1 . . . . 8 GLN HN . 6624 1 27 . 1 1 8 8 GLN HA H 1 4.321 0.02 . 1 . . . . 8 GLN HA . 6624 1 28 . 1 1 8 8 GLN HB2 H 1 1.989 0.05 . 1 . . . . 8 GLN HB# . 6624 1 29 . 1 1 8 8 GLN HB3 H 1 1.989 0.05 . 1 . . . . 8 GLN HB# . 6624 1 30 . 1 1 8 8 GLN HG2 H 1 2.299 0.05 . 1 . . . . 8 GLN HG# . 6624 1 31 . 1 1 8 8 GLN HG3 H 1 2.299 0.05 . 1 . . . . 8 GLN HG# . 6624 1 32 . 1 1 8 8 GLN C C 13 175.428 0.4 . 1 . . . . 8 GLN CO . 6624 1 33 . 1 1 8 8 GLN CA C 13 55.843 0.4 . 1 . . . . 8 GLN CA . 6624 1 34 . 1 1 8 8 GLN CB C 13 30.062 0.4 . 1 . . . . 8 GLN CB . 6624 1 35 . 1 1 8 8 GLN N N 15 121.538 0.1 . 1 . . . . 8 GLN N . 6624 1 36 . 1 1 9 9 THR H H 1 7.927 0.02 . 1 . . . . 9 THR HN . 6624 1 37 . 1 1 9 9 THR HA H 1 4.77 0.02 . 1 . . . . 9 THR HA . 6624 1 38 . 1 1 9 9 THR HB H 1 4.038 0.05 . 1 . . . . 9 THR HB . 6624 1 39 . 1 1 9 9 THR HG21 H 1 1.07 0.02 . 1 . . . . 9 THR HG2# . 6624 1 40 . 1 1 9 9 THR HG22 H 1 1.07 0.02 . 1 . . . . 9 THR HG2# . 6624 1 41 . 1 1 9 9 THR HG23 H 1 1.07 0.02 . 1 . . . . 9 THR HG2# . 6624 1 42 . 1 1 9 9 THR C C 13 173.399 0.4 . 1 . . . . 9 THR CO . 6624 1 43 . 1 1 9 9 THR CA C 13 60.586 0.4 . 1 . . . . 9 THR CA . 6624 1 44 . 1 1 9 9 THR CB C 13 71.115 0.4 . 1 . . . . 9 THR CB . 6624 1 45 . 1 1 9 9 THR CG2 C 13 21.693 0.4 . 1 . . . . 9 THR CG2 . 6624 1 46 . 1 1 9 9 THR N N 15 114.215 0.1 . 1 . . . . 9 THR N . 6624 1 47 . 1 1 10 10 HIS H H 1 8.694 0.02 . 1 . . . . 10 HIS HN . 6624 1 48 . 1 1 10 10 HIS HA H 1 4.724 0.02 . 1 . . . . 10 HIS HA . 6624 1 49 . 1 1 10 10 HIS HB2 H 1 2.618 0.02 . 2 . . . . 10 HIS HB1 . 6624 1 50 . 1 1 10 10 HIS HB3 H 1 2.971 0.02 . 2 . . . . 10 HIS HB2 . 6624 1 51 . 1 1 10 10 HIS C C 13 173.875 0.4 . 1 . . . . 10 HIS CO . 6624 1 52 . 1 1 10 10 HIS CA C 13 55.139 0.4 . 1 . . . . 10 HIS CA . 6624 1 53 . 1 1 10 10 HIS CB C 13 34.708 0.4 . 1 . . . . 10 HIS CB . 6624 1 54 . 1 1 10 10 HIS N N 15 120.499 0.1 . 1 . . . . 10 HIS N . 6624 1 55 . 1 1 11 11 ARG H H 1 8.359 0.02 . 1 . . . . 11 ARG HN . 6624 1 56 . 1 1 11 11 ARG HA H 1 5.214 0.02 . 1 . . . . 11 ARG HA . 6624 1 57 . 1 1 11 11 ARG HB2 H 1 1.55 0.02 . 2 . . . . 11 ARG HB1 . 6624 1 58 . 1 1 11 11 ARG HB3 H 1 1.623 0.02 . 2 . . . . 11 ARG HB2 . 6624 1 59 . 1 1 11 11 ARG HG2 H 1 1.49 0.02 . 2 . . . . 11 ARG HG1 . 6624 1 60 . 1 1 11 11 ARG HG3 H 1 1.56 0.02 . 2 . . . . 11 ARG HG2 . 6624 1 61 . 1 1 11 11 ARG HD2 H 1 3.043 0.02 . 1 . . . . 11 ARG HD# . 6624 1 62 . 1 1 11 11 ARG HD3 H 1 3.043 0.02 . 1 . . . . 11 ARG HD# . 6624 1 63 . 1 1 11 11 ARG C C 13 175.614 0.4 . 1 . . . . 11 ARG CO . 6624 1 64 . 1 1 11 11 ARG CA C 13 54.754 0.4 . 1 . . . . 11 ARG CA . 6624 1 65 . 1 1 11 11 ARG CB C 13 31.778 0.4 . 1 . . . . 11 ARG CB . 6624 1 66 . 1 1 11 11 ARG CG C 13 27.312 0.4 . 1 . . . . 11 ARG CG . 6624 1 67 . 1 1 11 11 ARG CD C 13 43.246 0.4 . 1 . . . . 11 ARG CD . 6624 1 68 . 1 1 11 11 ARG N N 15 121.295 0.1 . 1 . . . . 11 ARG N . 6624 1 69 . 1 1 12 12 VAL H H 1 9.204 0.02 . 1 . . . . 12 VAL HN . 6624 1 70 . 1 1 12 12 VAL HA H 1 4.606 0.02 . 1 . . . . 12 VAL HA . 6624 1 71 . 1 1 12 12 VAL HB H 1 1.845 0.02 . 1 . . . . 12 VAL HB . 6624 1 72 . 1 1 12 12 VAL HG11 H 1 0.909 0.02 . 2 . . . . 12 VAL HG1# . 6624 1 73 . 1 1 12 12 VAL HG12 H 1 0.909 0.02 . 2 . . . . 12 VAL HG1# . 6624 1 74 . 1 1 12 12 VAL HG13 H 1 0.909 0.02 . 2 . . . . 12 VAL HG1# . 6624 1 75 . 1 1 12 12 VAL HG21 H 1 0.91 0.02 . 2 . . . . 12 VAL HG2# . 6624 1 76 . 1 1 12 12 VAL HG22 H 1 0.91 0.02 . 2 . . . . 12 VAL HG2# . 6624 1 77 . 1 1 12 12 VAL HG23 H 1 0.91 0.02 . 2 . . . . 12 VAL HG2# . 6624 1 78 . 1 1 12 12 VAL C C 13 173.124 0.4 . 1 . . . . 12 VAL CO . 6624 1 79 . 1 1 12 12 VAL CA C 13 59.475 0.4 . 1 . . . . 12 VAL CA . 6624 1 80 . 1 1 12 12 VAL CB C 13 35.167 0.4 . 1 . . . . 12 VAL CB . 6624 1 81 . 1 1 12 12 VAL CG1 C 13 20.996 0.4 . 2 . . . . 12 VAL CG1 . 6624 1 82 . 1 1 12 12 VAL CG2 C 13 21.822 0.4 . 2 . . . . 12 VAL CG2 . 6624 1 83 . 1 1 12 12 VAL N N 15 121.399 0.1 . 1 . . . . 12 VAL N . 6624 1 84 . 1 1 13 13 THR H H 1 8.931 0.02 . 1 . . . . 13 THR HN . 6624 1 85 . 1 1 13 13 THR HA H 1 4.652 0.02 . 1 . . . . 13 THR HA . 6624 1 86 . 1 1 13 13 THR HB H 1 3.987 0.02 . 1 . . . . 13 THR HB . 6624 1 87 . 1 1 13 13 THR HG21 H 1 0.678 0.02 . 1 . . . . 13 THR HG2# . 6624 1 88 . 1 1 13 13 THR HG22 H 1 0.678 0.02 . 1 . . . . 13 THR HG2# . 6624 1 89 . 1 1 13 13 THR HG23 H 1 0.678 0.02 . 1 . . . . 13 THR HG2# . 6624 1 90 . 1 1 13 13 THR C C 13 174.121 0.4 . 1 . . . . 13 THR CO . 6624 1 91 . 1 1 13 13 THR CA C 13 62.835 0.4 . 1 . . . . 13 THR CA . 6624 1 92 . 1 1 13 13 THR CB C 13 69.116 0.4 . 1 . . . . 13 THR CB . 6624 1 93 . 1 1 13 13 THR CG2 C 13 22.451 0.4 . 1 . . . . 13 THR CG2 . 6624 1 94 . 1 1 13 13 THR N N 15 125.218 0.1 . 1 . . . . 13 THR N . 6624 1 95 . 1 1 14 14 VAL H H 1 9.17 0.02 . 1 . . . . 14 VAL HN . 6624 1 96 . 1 1 14 14 VAL HA H 1 4.731 0.02 . 1 . . . . 14 VAL HA . 6624 1 97 . 1 1 14 14 VAL HB H 1 2.086 0.02 . 1 . . . . 14 VAL HB . 6624 1 98 . 1 1 14 14 VAL HG11 H 1 0.818 0.02 . 2 . . . . 14 VAL HG1# . 6624 1 99 . 1 1 14 14 VAL HG12 H 1 0.818 0.02 . 2 . . . . 14 VAL HG1# . 6624 1 100 . 1 1 14 14 VAL HG13 H 1 0.818 0.02 . 2 . . . . 14 VAL HG1# . 6624 1 101 . 1 1 14 14 VAL HG21 H 1 0.883 0.02 . 2 . . . . 14 VAL HG2# . 6624 1 102 . 1 1 14 14 VAL HG22 H 1 0.883 0.02 . 2 . . . . 14 VAL HG2# . 6624 1 103 . 1 1 14 14 VAL HG23 H 1 0.883 0.02 . 2 . . . . 14 VAL HG2# . 6624 1 104 . 1 1 14 14 VAL C C 13 175.399 0.4 . 1 . . . . 14 VAL CO . 6624 1 105 . 1 1 14 14 VAL CA C 13 61.414 0.4 . 1 . . . . 14 VAL CA . 6624 1 106 . 1 1 14 14 VAL CB C 13 33.85 0.4 . 1 . . . . 14 VAL CB . 6624 1 107 . 1 1 14 14 VAL CG1 C 13 21.957 0.4 . 2 . . . . 14 VAL CG1 . 6624 1 108 . 1 1 14 14 VAL CG2 C 13 21.851 0.4 . 2 . . . . 14 VAL CG2 . 6624 1 109 . 1 1 14 14 VAL N N 15 127.173 0.1 . 1 . . . . 14 VAL N . 6624 1 110 . 1 1 15 15 HIS H H 1 9.272 0.02 . 1 . . . . 15 HIS HN . 6624 1 111 . 1 1 15 15 HIS HA H 1 4.853 0.02 . 1 . . . . 15 HIS HA . 6624 1 112 . 1 1 15 15 HIS HB2 H 1 3.029 0.02 . 2 . . . . 15 HIS HB1 . 6624 1 113 . 1 1 15 15 HIS HB3 H 1 3.307 0.02 . 2 . . . . 15 HIS HB2 . 6624 1 114 . 1 1 15 15 HIS C C 13 176.372 0.4 . 1 . . . . 15 HIS CO . 6624 1 115 . 1 1 15 15 HIS CA C 13 57.089 0.4 . 1 . . . . 15 HIS CA . 6624 1 116 . 1 1 15 15 HIS CB C 13 32.936 0.4 . 1 . . . . 15 HIS CB . 6624 1 117 . 1 1 15 15 HIS N N 15 128.332 0.1 . 1 . . . . 15 HIS N . 6624 1 118 . 1 1 16 16 GLY H H 1 8.638 0.02 . 1 . . . . 16 GLY HN . 6624 1 119 . 1 1 16 16 GLY HA2 H 1 3.833 0.02 . 1 . . . . 16 GLY HA1 . 6624 1 120 . 1 1 16 16 GLY HA3 H 1 4.343 0.02 . 1 . . . . 16 GLY HA2 . 6624 1 121 . 1 1 16 16 GLY C C 13 174.567 0.4 . 1 . . . . 16 GLY CO . 6624 1 122 . 1 1 16 16 GLY CA C 13 46.011 0.4 . 1 . . . . 16 GLY CA . 6624 1 123 . 1 1 16 16 GLY N N 15 108.333 0.1 . 1 . . . . 16 GLY N . 6624 1 124 . 1 1 17 17 VAL H H 1 7.036 0.02 . 1 . . . . 17 VAL HN . 6624 1 125 . 1 1 17 17 VAL HA H 1 3.972 0.02 . 1 . . . . 17 VAL HA . 6624 1 126 . 1 1 17 17 VAL HB H 1 2.09 0.02 . 1 . . . . 17 VAL HB . 6624 1 127 . 1 1 17 17 VAL HG11 H 1 0.967 0.02 . 2 . . . . 17 VAL HG1# . 6624 1 128 . 1 1 17 17 VAL HG12 H 1 0.967 0.02 . 2 . . . . 17 VAL HG1# . 6624 1 129 . 1 1 17 17 VAL HG13 H 1 0.967 0.02 . 2 . . . . 17 VAL HG1# . 6624 1 130 . 1 1 17 17 VAL HG21 H 1 1.071 0.02 . 2 . . . . 17 VAL HG2# . 6624 1 131 . 1 1 17 17 VAL HG22 H 1 1.071 0.02 . 2 . . . . 17 VAL HG2# . 6624 1 132 . 1 1 17 17 VAL HG23 H 1 1.071 0.02 . 2 . . . . 17 VAL HG2# . 6624 1 133 . 1 1 17 17 VAL CA C 13 60.501 0.4 . 1 . . . . 17 VAL CA . 6624 1 134 . 1 1 17 17 VAL CB C 13 31.791 0.4 . 1 . . . . 17 VAL CB . 6624 1 135 . 1 1 17 17 VAL CG1 C 13 21.596 0.4 . 2 . . . . 17 VAL CG1 . 6624 1 136 . 1 1 17 17 VAL CG2 C 13 21.773 0.4 . 2 . . . . 17 VAL CG2 . 6624 1 137 . 1 1 17 17 VAL N N 15 117.999 0.1 . 1 . . . . 17 VAL N . 6624 1 138 . 1 1 18 18 PRO HA H 1 4.345 0.02 . 1 . . . . 18 PRO HA . 6624 1 139 . 1 1 18 18 PRO HB2 H 1 1.86 0.02 . 2 . . . . 18 PRO HB1 . 6624 1 140 . 1 1 18 18 PRO HB3 H 1 2.264 0.02 . 2 . . . . 18 PRO HB2 . 6624 1 141 . 1 1 18 18 PRO HG2 H 1 1.907 0.02 . 2 . . . . 18 PRO HG1 . 6624 1 142 . 1 1 18 18 PRO HG3 H 1 2.012 0.02 . 2 . . . . 18 PRO HG2 . 6624 1 143 . 1 1 18 18 PRO HD2 H 1 3.423 0.02 . 2 . . . . 18 PRO HD1 . 6624 1 144 . 1 1 18 18 PRO HD3 H 1 3.655 0.02 . 2 . . . . 18 PRO HD2 . 6624 1 145 . 1 1 18 18 PRO C C 13 176.104 0.4 . 1 . . . . 18 PRO CO . 6624 1 146 . 1 1 18 18 PRO CA C 13 64.014 0.4 . 1 . . . . 18 PRO CA . 6624 1 147 . 1 1 18 18 PRO CB C 13 31.989 0.4 . 1 . . . . 18 PRO CB . 6624 1 148 . 1 1 18 18 PRO CG C 13 27.742 0.4 . 1 . . . . 18 PRO CG . 6624 1 149 . 1 1 18 18 PRO CD C 13 50.637 0.4 . 1 . . . . 18 PRO CD . 6624 1 150 . 1 1 19 19 GLY H H 1 8.106 0.02 . 1 . . . . 19 GLY HN . 6624 1 151 . 1 1 19 19 GLY HA2 H 1 3.756 0.02 . 1 . . . . 19 GLY HA1 . 6624 1 152 . 1 1 19 19 GLY HA3 H 1 4.541 0.02 . 1 . . . . 19 GLY HA2 . 6624 1 153 . 1 1 19 19 GLY CA C 13 44.512 0.4 . 1 . . . . 19 GLY CA . 6624 1 154 . 1 1 19 19 GLY N N 15 111.637 0.1 . 1 . . . . 19 GLY N . 6624 1 155 . 1 1 20 20 PRO HA H 1 4.335 0.02 . 1 . . . . 20 PRO HA . 6624 1 156 . 1 1 20 20 PRO HB2 H 1 1.973 0.02 . 2 . . . . 20 PRO HB1 . 6624 1 157 . 1 1 20 20 PRO HB3 H 1 2.201 0.02 . 2 . . . . 20 PRO HB2 . 6624 1 158 . 1 1 20 20 PRO HG2 H 1 1.927 0.02 . 2 . . . . 20 PRO HG1 . 6624 1 159 . 1 1 20 20 PRO HG3 H 1 2.006 0.02 . 2 . . . . 20 PRO HG2 . 6624 1 160 . 1 1 20 20 PRO HD2 H 1 3.449 0.02 . 2 . . . . 20 PRO HD1 . 6624 1 161 . 1 1 20 20 PRO HD3 H 1 3.708 0.02 . 2 . . . . 20 PRO HD2 . 6624 1 162 . 1 1 20 20 PRO C C 13 177.262 0.4 . 1 . . . . 20 PRO CO . 6624 1 163 . 1 1 20 20 PRO CA C 13 64.002 0.4 . 1 . . . . 20 PRO CA . 6624 1 164 . 1 1 20 20 PRO CB C 13 32.417 0.4 . 1 . . . . 20 PRO CB . 6624 1 165 . 1 1 20 20 PRO CG C 13 26.812 0.4 . 1 . . . . 20 PRO CG . 6624 1 166 . 1 1 20 20 PRO CD C 13 49.327 0.4 . 1 . . . . 20 PRO CD . 6624 1 167 . 1 1 21 21 GLU H H 1 7.853 0.02 . 1 . . . . 21 GLU HN . 6624 1 168 . 1 1 21 21 GLU HA H 1 4.676 0.02 . 1 . . . . 21 GLU HA . 6624 1 169 . 1 1 21 21 GLU HB2 H 1 1.593 0.02 . 2 . . . . 21 GLU HB1 . 6624 1 170 . 1 1 21 21 GLU HB3 H 1 1.768 0.02 . 2 . . . . 21 GLU HB2 . 6624 1 171 . 1 1 21 21 GLU HG2 H 1 2.043 0.02 . 2 . . . . 21 GLU HG1 . 6624 1 172 . 1 1 21 21 GLU HG3 H 1 2.116 0.02 . 2 . . . . 21 GLU HG2 . 6624 1 173 . 1 1 21 21 GLU CA C 13 53.356 0.4 . 1 . . . . 21 GLU CA . 6624 1 174 . 1 1 21 21 GLU CB C 13 30.112 0.4 . 1 . . . . 21 GLU CB . 6624 1 175 . 1 1 21 21 GLU CG C 13 35.769 0.4 . 1 . . . . 21 GLU CG . 6624 1 176 . 1 1 21 21 GLU N N 15 118.322 0.1 . 1 . . . . 21 GLU N . 6624 1 177 . 1 1 22 22 PRO HA H 1 4.413 0.02 . 1 . . . . 22 PRO HA . 6624 1 178 . 1 1 22 22 PRO HB2 H 1 2.375 0.02 . 2 . . . . 22 PRO HB2 . 6624 1 179 . 1 1 22 22 PRO HG2 H 1 1.845 0.02 . 2 . . . . 22 PRO HG1 . 6624 1 180 . 1 1 22 22 PRO HG3 H 1 2.039 0.02 . 2 . . . . 22 PRO HG2 . 6624 1 181 . 1 1 22 22 PRO HD2 H 1 3.622 0.02 . 1 . . . . 22 PRO HD# . 6624 1 182 . 1 1 22 22 PRO HD3 H 1 3.622 0.02 . 1 . . . . 22 PRO HD# . 6624 1 183 . 1 1 22 22 PRO C C 13 175.538 0.4 . 1 . . . . 22 PRO CO . 6624 1 184 . 1 1 22 22 PRO CA C 13 64.127 0.4 . 1 . . . . 22 PRO CA . 6624 1 185 . 1 1 22 22 PRO CB C 13 32.019 0.4 . 1 . . . . 22 PRO CB . 6624 1 186 . 1 1 22 22 PRO CG C 13 27.266 0.4 . 1 . . . . 22 PRO CG . 6624 1 187 . 1 1 22 22 PRO CD C 13 50.678 0.4 . 1 . . . . 22 PRO CD . 6624 1 188 . 1 1 23 23 PHE H H 1 6.664 0.02 . 1 . . . . 23 PHE HN . 6624 1 189 . 1 1 23 23 PHE HA H 1 5.176 0.02 . 1 . . . . 23 PHE HA . 6624 1 190 . 1 1 23 23 PHE HB2 H 1 2.184 0.02 . 2 . . . . 23 PHE HB1 . 6624 1 191 . 1 1 23 23 PHE HB3 H 1 2.265 0.02 . 2 . . . . 23 PHE HB2 . 6624 1 192 . 1 1 23 23 PHE HD1 H 1 6.704 0.05 . 1 . . . . 23 PHE HD# . 6624 1 193 . 1 1 23 23 PHE HD2 H 1 6.704 0.05 . 1 . . . . 23 PHE HD# . 6624 1 194 . 1 1 23 23 PHE C C 13 173.638 0.4 . 1 . . . . 23 PHE CO . 6624 1 195 . 1 1 23 23 PHE CA C 13 55.167 0.4 . 1 . . . . 23 PHE CA . 6624 1 196 . 1 1 23 23 PHE CB C 13 40.241 0.4 . 1 . . . . 23 PHE CB . 6624 1 197 . 1 1 23 23 PHE N N 15 112.553 0.1 . 1 . . . . 23 PHE N . 6624 1 198 . 1 1 24 24 THR H H 1 8.57 0.02 . 1 . . . . 24 THR HN . 6624 1 199 . 1 1 24 24 THR HA H 1 4.34 0.02 . 1 . . . . 24 THR HA . 6624 1 200 . 1 1 24 24 THR HB H 1 3.683 0.02 . 1 . . . . 24 THR HB . 6624 1 201 . 1 1 24 24 THR HG21 H 1 0.663 0.02 . 1 . . . . 24 THR HG2# . 6624 1 202 . 1 1 24 24 THR HG22 H 1 0.663 0.02 . 1 . . . . 24 THR HG2# . 6624 1 203 . 1 1 24 24 THR HG23 H 1 0.663 0.02 . 1 . . . . 24 THR HG2# . 6624 1 204 . 1 1 24 24 THR C C 13 171.227 0.4 . 1 . . . . 24 THR CO . 6624 1 205 . 1 1 24 24 THR CA C 13 61.849 0.4 . 1 . . . . 24 THR CA . 6624 1 206 . 1 1 24 24 THR CB C 13 72.488 0.4 . 1 . . . . 24 THR CB . 6624 1 207 . 1 1 24 24 THR CG2 C 13 21.93 0.4 . 1 . . . . 24 THR CG2 . 6624 1 208 . 1 1 24 24 THR N N 15 115.675 0.1 . 1 . . . . 24 THR N . 6624 1 209 . 1 1 25 25 VAL H H 1 8.364 0.02 . 1 . . . . 25 VAL HN . 6624 1 210 . 1 1 25 25 VAL HA H 1 4.752 0.02 . 1 . . . . 25 VAL HA . 6624 1 211 . 1 1 25 25 VAL HB H 1 1.777 0.02 . 1 . . . . 25 VAL HB . 6624 1 212 . 1 1 25 25 VAL HG11 H 1 0.764 0.02 . 2 . . . . 25 VAL HG1# . 6624 1 213 . 1 1 25 25 VAL HG12 H 1 0.764 0.02 . 2 . . . . 25 VAL HG1# . 6624 1 214 . 1 1 25 25 VAL HG13 H 1 0.764 0.02 . 2 . . . . 25 VAL HG1# . 6624 1 215 . 1 1 25 25 VAL HG21 H 1 0.966 0.02 . 2 . . . . 25 VAL HG2# . 6624 1 216 . 1 1 25 25 VAL HG22 H 1 0.966 0.02 . 2 . . . . 25 VAL HG2# . 6624 1 217 . 1 1 25 25 VAL HG23 H 1 0.966 0.02 . 2 . . . . 25 VAL HG2# . 6624 1 218 . 1 1 25 25 VAL C C 13 175.318 0.4 . 1 . . . . 25 VAL CO . 6624 1 219 . 1 1 25 25 VAL CA C 13 61.446 0.4 . 1 . . . . 25 VAL CA . 6624 1 220 . 1 1 25 25 VAL CB C 13 32.625 0.4 . 1 . . . . 25 VAL CB . 6624 1 221 . 1 1 25 25 VAL CG1 C 13 21.786 0.4 . 2 . . . . 25 VAL CG1 . 6624 1 222 . 1 1 25 25 VAL CG2 C 13 21.272 0.4 . 2 . . . . 25 VAL CG2 . 6624 1 223 . 1 1 25 25 VAL N N 15 126.363 0.1 . 1 . . . . 25 VAL N . 6624 1 224 . 1 1 26 26 PHE H H 1 9.251 0.02 . 1 . . . . 26 PHE HN . 6624 1 225 . 1 1 26 26 PHE HA H 1 4.638 0.02 . 1 . . . . 26 PHE HA . 6624 1 226 . 1 1 26 26 PHE HB2 H 1 2.498 0.02 . 2 . . . . 26 PHE HB1 . 6624 1 227 . 1 1 26 26 PHE HB3 H 1 2.875 0.02 . 2 . . . . 26 PHE HB2 . 6624 1 228 . 1 1 26 26 PHE HD1 H 1 7.174 0.05 . 1 . . . . 26 PHE HD# . 6624 1 229 . 1 1 26 26 PHE HD2 H 1 7.174 0.05 . 1 . . . . 26 PHE HD# . 6624 1 230 . 1 1 26 26 PHE C C 13 174.837 0.4 . 1 . . . . 26 PHE CO . 6624 1 231 . 1 1 26 26 PHE CA C 13 57.183 0.4 . 1 . . . . 26 PHE CA . 6624 1 232 . 1 1 26 26 PHE CB C 13 42.553 0.4 . 1 . . . . 26 PHE CB . 6624 1 233 . 1 1 26 26 PHE N N 15 125.963 0.1 . 1 . . . . 26 PHE N . 6624 1 234 . 1 1 27 27 THR H H 1 8.967 0.02 . 1 . . . . 27 THR HN . 6624 1 235 . 1 1 27 27 THR HA H 1 4.983 0.02 . 1 . . . . 27 THR HA . 6624 1 236 . 1 1 27 27 THR HB H 1 4.024 0.05 . 1 . . . . 27 THR HB . 6624 1 237 . 1 1 27 27 THR HG21 H 1 1.174 0.02 . 1 . . . . 27 THR HG2# . 6624 1 238 . 1 1 27 27 THR HG22 H 1 1.174 0.02 . 1 . . . . 27 THR HG2# . 6624 1 239 . 1 1 27 27 THR HG23 H 1 1.174 0.02 . 1 . . . . 27 THR HG2# . 6624 1 240 . 1 1 27 27 THR C C 13 174.765 0.4 . 1 . . . . 27 THR CO . 6624 1 241 . 1 1 27 27 THR CA C 13 62.533 0.4 . 1 . . . . 27 THR CA . 6624 1 242 . 1 1 27 27 THR CB C 13 69.124 0.4 . 1 . . . . 27 THR CB . 6624 1 243 . 1 1 27 27 THR CG2 C 13 21.997 0.4 . 1 . . . . 27 THR CG2 . 6624 1 244 . 1 1 27 27 THR N N 15 118.961 0.1 . 1 . . . . 27 THR N . 6624 1 245 . 1 1 28 28 ILE H H 1 9.067 0.02 . 1 . . . . 28 ILE HN . 6624 1 246 . 1 1 28 28 ILE HA H 1 4.938 0.02 . 1 . . . . 28 ILE HA . 6624 1 247 . 1 1 28 28 ILE HB H 1 2.115 0.02 . 1 . . . . 28 ILE HB . 6624 1 248 . 1 1 28 28 ILE HG12 H 1 1.188 0.02 . 1 . . . . 28 ILE HG1# . 6624 1 249 . 1 1 28 28 ILE HG13 H 1 1.188 0.02 . 1 . . . . 28 ILE HG1# . 6624 1 250 . 1 1 28 28 ILE HG21 H 1 0.864 0.02 . 1 . . . . 28 ILE HG2# . 6624 1 251 . 1 1 28 28 ILE HG22 H 1 0.864 0.02 . 1 . . . . 28 ILE HG2# . 6624 1 252 . 1 1 28 28 ILE HG23 H 1 0.864 0.02 . 1 . . . . 28 ILE HG2# . 6624 1 253 . 1 1 28 28 ILE HD11 H 1 0.691 0.02 . 1 . . . . 28 ILE HD1# . 6624 1 254 . 1 1 28 28 ILE HD12 H 1 0.691 0.02 . 1 . . . . 28 ILE HD1# . 6624 1 255 . 1 1 28 28 ILE HD13 H 1 0.691 0.02 . 1 . . . . 28 ILE HD1# . 6624 1 256 . 1 1 28 28 ILE C C 13 174.45 0.4 . 1 . . . . 28 ILE CO . 6624 1 257 . 1 1 28 28 ILE CA C 13 59.137 0.4 . 1 . . . . 28 ILE CA . 6624 1 258 . 1 1 28 28 ILE CB C 13 41.403 0.4 . 1 . . . . 28 ILE CB . 6624 1 259 . 1 1 28 28 ILE CG1 C 13 25.268 0.4 . 1 . . . . 28 ILE CG1 . 6624 1 260 . 1 1 28 28 ILE CG2 C 13 18.908 0.4 . 1 . . . . 28 ILE CG2 . 6624 1 261 . 1 1 28 28 ILE CD1 C 13 14.4 0.4 . 1 . . . . 28 ILE CD1 . 6624 1 262 . 1 1 28 28 ILE N N 15 121.015 0.1 . 1 . . . . 28 ILE N . 6624 1 263 . 1 1 29 29 ASN H H 1 8.534 0.02 . 1 . . . . 29 ASN HN . 6624 1 264 . 1 1 29 29 ASN HA H 1 5.409 0.02 . 1 . . . . 29 ASN HA . 6624 1 265 . 1 1 29 29 ASN HB2 H 1 2.827 0.02 . 1 . . . . 29 ASN HB# . 6624 1 266 . 1 1 29 29 ASN HB3 H 1 2.827 0.02 . 1 . . . . 29 ASN HB# . 6624 1 267 . 1 1 29 29 ASN HD21 H 1 6.837 0.02 . 1 . . . . 29 ASN HD21 . 6624 1 268 . 1 1 29 29 ASN HD22 H 1 7.691 0.02 . 1 . . . . 29 ASN HD22 . 6624 1 269 . 1 1 29 29 ASN C C 13 176.935 0.4 . 1 . . . . 29 ASN CO . 6624 1 270 . 1 1 29 29 ASN CA C 13 51.971 0.4 . 1 . . . . 29 ASN CA . 6624 1 271 . 1 1 29 29 ASN CB C 13 41.133 0.4 . 1 . . . . 29 ASN CB . 6624 1 272 . 1 1 29 29 ASN N N 15 116.498 0.1 . 1 . . . . 29 ASN N . 6624 1 273 . 1 1 29 29 ASN ND2 N 15 114.615 0.1 . 1 . . . . 29 ASN ND2 . 6624 1 274 . 1 1 30 30 GLY H H 1 8.815 0.02 . 1 . . . . 30 GLY HN . 6624 1 275 . 1 1 30 30 GLY HA2 H 1 3.704 0.02 . 1 . . . . 30 GLY HA1 . 6624 1 276 . 1 1 30 30 GLY HA3 H 1 4.026 0.02 . 1 . . . . 30 GLY HA2 . 6624 1 277 . 1 1 30 30 GLY C C 13 174.479 0.4 . 1 . . . . 30 GLY CO . 6624 1 278 . 1 1 30 30 GLY CA C 13 47.595 0.4 . 1 . . . . 30 GLY CA . 6624 1 279 . 1 1 30 30 GLY N N 15 107.471 0.1 . 1 . . . . 30 GLY N . 6624 1 280 . 1 1 31 31 GLY H H 1 8.734 0.02 . 1 . . . . 31 GLY HN . 6624 1 281 . 1 1 31 31 GLY HA2 H 1 3.721 0.02 . 1 . . . . 31 GLY HA1 . 6624 1 282 . 1 1 31 31 GLY HA3 H 1 4.249 0.02 . 1 . . . . 31 GLY HA2 . 6624 1 283 . 1 1 31 31 GLY C C 13 174.974 0.4 . 1 . . . . 31 GLY CO . 6624 1 284 . 1 1 31 31 GLY CA C 13 44.413 0.4 . 1 . . . . 31 GLY CA . 6624 1 285 . 1 1 31 31 GLY N N 15 107.99 0.1 . 1 . . . . 31 GLY N . 6624 1 286 . 1 1 32 32 THR H H 1 7.407 0.02 . 1 . . . . 32 THR HN . 6624 1 287 . 1 1 32 32 THR HA H 1 3.99 0.02 . 1 . . . . 32 THR HA . 6624 1 288 . 1 1 32 32 THR HB H 1 3.978 0.05 . 1 . . . . 32 THR HB . 6624 1 289 . 1 1 32 32 THR HG21 H 1 1.24 0.02 . 1 . . . . 32 THR HG2# . 6624 1 290 . 1 1 32 32 THR HG22 H 1 1.24 0.02 . 1 . . . . 32 THR HG2# . 6624 1 291 . 1 1 32 32 THR HG23 H 1 1.24 0.02 . 1 . . . . 32 THR HG2# . 6624 1 292 . 1 1 32 32 THR C C 13 175.291 0.4 . 1 . . . . 32 THR CO . 6624 1 293 . 1 1 32 32 THR CA C 13 65.824 0.4 . 1 . . . . 32 THR CA . 6624 1 294 . 1 1 32 32 THR CB C 13 69.591 0.4 . 1 . . . . 32 THR CB . 6624 1 295 . 1 1 32 32 THR CG2 C 13 21.744 0.4 . 1 . . . . 32 THR CG2 . 6624 1 296 . 1 1 32 32 THR N N 15 117.852 0.1 . 1 . . . . 32 THR N . 6624 1 297 . 1 1 33 33 LYS H H 1 9.034 0.02 . 1 . . . . 33 LYS HN . 6624 1 298 . 1 1 33 33 LYS HA H 1 5.189 0.02 . 1 . . . . 33 LYS HA . 6624 1 299 . 1 1 33 33 LYS HB2 H 1 2.053 0.02 . 2 . . . . 33 LYS HB1 . 6624 1 300 . 1 1 33 33 LYS HB3 H 1 2.273 0.02 . 2 . . . . 33 LYS HB2 . 6624 1 301 . 1 1 33 33 LYS HG2 H 1 1.314 0.02 . 2 . . . . 33 LYS HG1 . 6624 1 302 . 1 1 33 33 LYS HG3 H 1 1.697 0.02 . 2 . . . . 33 LYS HG2 . 6624 1 303 . 1 1 33 33 LYS HD2 H 1 1.623 0.02 . 2 . . . . 33 LYS HD1 . 6624 1 304 . 1 1 33 33 LYS HD3 H 1 1.705 0.02 . 2 . . . . 33 LYS HD2 . 6624 1 305 . 1 1 33 33 LYS HE2 H 1 3.122 0.02 . 1 . . . . 33 LYS HE# . 6624 1 306 . 1 1 33 33 LYS HE3 H 1 3.122 0.02 . 1 . . . . 33 LYS HE# . 6624 1 307 . 1 1 33 33 LYS C C 13 178.647 0.4 . 1 . . . . 33 LYS CO . 6624 1 308 . 1 1 33 33 LYS CA C 13 54.733 0.4 . 1 . . . . 33 LYS CA . 6624 1 309 . 1 1 33 33 LYS CB C 13 37.202 0.4 . 1 . . . . 33 LYS CB . 6624 1 310 . 1 1 33 33 LYS CG C 13 25.962 0.4 . 1 . . . . 33 LYS CG . 6624 1 311 . 1 1 33 33 LYS CD C 13 29.847 0.4 . 1 . . . . 33 LYS CD . 6624 1 312 . 1 1 33 33 LYS CE C 13 42.193 0.4 . 1 . . . . 33 LYS CE . 6624 1 313 . 1 1 33 33 LYS N N 15 129.36 0.1 . 1 . . . . 33 LYS N . 6624 1 314 . 1 1 34 34 ALA H H 1 9.072 0.02 . 1 . . . . 34 ALA HN . 6624 1 315 . 1 1 34 34 ALA HA H 1 3.732 0.02 . 1 . . . . 34 ALA HA . 6624 1 316 . 1 1 34 34 ALA HB1 H 1 1.496 0.02 . 1 . . . . 34 ALA HB# . 6624 1 317 . 1 1 34 34 ALA HB2 H 1 1.496 0.02 . 1 . . . . 34 ALA HB# . 6624 1 318 . 1 1 34 34 ALA HB3 H 1 1.496 0.02 . 1 . . . . 34 ALA HB# . 6624 1 319 . 1 1 34 34 ALA C C 13 179.481 0.4 . 1 . . . . 34 ALA CO . 6624 1 320 . 1 1 34 34 ALA CA C 13 56.627 0.4 . 1 . . . . 34 ALA CA . 6624 1 321 . 1 1 34 34 ALA CB C 13 18.743 0.4 . 1 . . . . 34 ALA CB . 6624 1 322 . 1 1 34 34 ALA N N 15 126.843 0.1 . 1 . . . . 34 ALA N . 6624 1 323 . 1 1 35 35 LYS H H 1 9.274 0.02 . 1 . . . . 35 LYS HN . 6624 1 324 . 1 1 35 35 LYS HA H 1 4.136 0.02 . 1 . . . . 35 LYS HA . 6624 1 325 . 1 1 35 35 LYS HB2 H 1 1.782 0.02 . 2 . . . . 35 LYS HB1 . 6624 1 326 . 1 1 35 35 LYS HB3 H 1 1.988 0.02 . 2 . . . . 35 LYS HB2 . 6624 1 327 . 1 1 35 35 LYS HG2 H 1 1.292 0.02 . 1 . . . . 35 LYS HG# . 6624 1 328 . 1 1 35 35 LYS HG3 H 1 1.292 0.02 . 1 . . . . 35 LYS HG# . 6624 1 329 . 1 1 35 35 LYS HD2 H 1 1.509 0.02 . 2 . . . . 35 LYS HD1 . 6624 1 330 . 1 1 35 35 LYS HD3 H 1 1.573 0.02 . 2 . . . . 35 LYS HD2 . 6624 1 331 . 1 1 35 35 LYS HE2 H 1 2.762 0.02 . 2 . . . . 35 LYS HE1 . 6624 1 332 . 1 1 35 35 LYS HE3 H 1 2.927 0.02 . 2 . . . . 35 LYS HE2 . 6624 1 333 . 1 1 35 35 LYS C C 13 178.199 0.4 . 1 . . . . 35 LYS CO . 6624 1 334 . 1 1 35 35 LYS CA C 13 59.118 0.4 . 1 . . . . 35 LYS CA . 6624 1 335 . 1 1 35 35 LYS CB C 13 31.492 0.4 . 1 . . . . 35 LYS CB . 6624 1 336 . 1 1 35 35 LYS CG C 13 24.46 0.4 . 1 . . . . 35 LYS CG . 6624 1 337 . 1 1 35 35 LYS CD C 13 29.626 0.4 . 1 . . . . 35 LYS CD . 6624 1 338 . 1 1 35 35 LYS N N 15 114.233 0.1 . 1 . . . . 35 LYS N . 6624 1 339 . 1 1 36 36 GLN H H 1 7.092 0.02 . 1 . . . . 36 GLN HN . 6624 1 340 . 1 1 36 36 GLN HA H 1 4.217 0.02 . 1 . . . . 36 GLN HA . 6624 1 341 . 1 1 36 36 GLN HB2 H 1 2.176 0.02 . 2 . . . . 36 GLN HB1 . 6624 1 342 . 1 1 36 36 GLN HB3 H 1 2.505 0.02 . 2 . . . . 36 GLN HB2 . 6624 1 343 . 1 1 36 36 GLN HG2 H 1 2.189 0.02 . 2 . . . . 36 GLN HG1 . 6624 1 344 . 1 1 36 36 GLN HG3 H 1 2.562 0.02 . 2 . . . . 36 GLN HG2 . 6624 1 345 . 1 1 36 36 GLN HE21 H 1 6.924 0.02 . 1 . . . . 36 GLN HE21 . 6624 1 346 . 1 1 36 36 GLN HE22 H 1 7.727 0.02 . 1 . . . . 36 GLN HE22 . 6624 1 347 . 1 1 36 36 GLN C C 13 178.536 0.4 . 1 . . . . 36 GLN CO . 6624 1 348 . 1 1 36 36 GLN CA C 13 58.04 0.4 . 1 . . . . 36 GLN CA . 6624 1 349 . 1 1 36 36 GLN CB C 13 28.859 0.4 . 1 . . . . 36 GLN CB . 6624 1 350 . 1 1 36 36 GLN CG C 13 34.936 0.4 . 1 . . . . 36 GLN CG . 6624 1 351 . 1 1 36 36 GLN N N 15 119.889 0.1 . 1 . . . . 36 GLN N . 6624 1 352 . 1 1 37 37 LEU H H 1 7.918 0.02 . 1 . . . . 37 LEU HN . 6624 1 353 . 1 1 37 37 LEU HA H 1 4.086 0.02 . 1 . . . . 37 LEU HA . 6624 1 354 . 1 1 37 37 LEU HB2 H 1 1.053 0.02 . 2 . . . . 37 LEU HB1 . 6624 1 355 . 1 1 37 37 LEU HB3 H 1 1.735 0.02 . 2 . . . . 37 LEU HB2 . 6624 1 356 . 1 1 37 37 LEU HG H 1 1.221 0.02 . 1 . . . . 37 LEU HG . 6624 1 357 . 1 1 37 37 LEU HD11 H 1 0.438 0.02 . 2 . . . . 37 LEU HD1# . 6624 1 358 . 1 1 37 37 LEU HD12 H 1 0.438 0.02 . 2 . . . . 37 LEU HD1# . 6624 1 359 . 1 1 37 37 LEU HD13 H 1 0.438 0.02 . 2 . . . . 37 LEU HD1# . 6624 1 360 . 1 1 37 37 LEU HD21 H 1 0.658 0.02 . 2 . . . . 37 LEU HD2# . 6624 1 361 . 1 1 37 37 LEU HD22 H 1 0.658 0.02 . 2 . . . . 37 LEU HD2# . 6624 1 362 . 1 1 37 37 LEU HD23 H 1 0.658 0.02 . 2 . . . . 37 LEU HD2# . 6624 1 363 . 1 1 37 37 LEU C C 13 177.97 0.4 . 1 . . . . 37 LEU CO . 6624 1 364 . 1 1 37 37 LEU CA C 13 57.469 0.4 . 1 . . . . 37 LEU CA . 6624 1 365 . 1 1 37 37 LEU CB C 13 41.052 0.4 . 1 . . . . 37 LEU CB . 6624 1 366 . 1 1 37 37 LEU CG C 13 27.163 0.4 . 1 . . . . 37 LEU CG . 6624 1 367 . 1 1 37 37 LEU CD1 C 13 22.01 0.4 . 2 . . . . 37 LEU CD1 . 6624 1 368 . 1 1 37 37 LEU CD2 C 13 26.047 0.4 . 2 . . . . 37 LEU CD2 . 6624 1 369 . 1 1 37 37 LEU N N 15 122.334 0.1 . 1 . . . . 37 LEU N . 6624 1 370 . 1 1 38 38 LEU H H 1 8.487 0.02 . 1 . . . . 38 LEU HN . 6624 1 371 . 1 1 38 38 LEU HA H 1 3.754 0.02 . 1 . . . . 38 LEU HA . 6624 1 372 . 1 1 38 38 LEU HB2 H 1 1.515 0.02 . 2 . . . . 38 LEU HB1 . 6624 1 373 . 1 1 38 38 LEU HB3 H 1 1.63 0.02 . 2 . . . . 38 LEU HB2 . 6624 1 374 . 1 1 38 38 LEU HG H 1 1.221 0.02 . 1 . . . . 38 LEU HG . 6624 1 375 . 1 1 38 38 LEU HD11 H 1 0.768 0.02 . 2 . . . . 38 LEU HD1# . 6624 1 376 . 1 1 38 38 LEU HD12 H 1 0.768 0.02 . 2 . . . . 38 LEU HD1# . 6624 1 377 . 1 1 38 38 LEU HD13 H 1 0.768 0.02 . 2 . . . . 38 LEU HD1# . 6624 1 378 . 1 1 38 38 LEU HD21 H 1 0.787 0.02 . 2 . . . . 38 LEU HD2# . 6624 1 379 . 1 1 38 38 LEU HD22 H 1 0.787 0.02 . 2 . . . . 38 LEU HD2# . 6624 1 380 . 1 1 38 38 LEU HD23 H 1 0.787 0.02 . 2 . . . . 38 LEU HD2# . 6624 1 381 . 1 1 38 38 LEU C C 13 177.705 0.4 . 1 . . . . 38 LEU CO . 6624 1 382 . 1 1 38 38 LEU CA C 13 58.419 0.4 . 1 . . . . 38 LEU CA . 6624 1 383 . 1 1 38 38 LEU CB C 13 41.889 0.4 . 1 . . . . 38 LEU CB . 6624 1 384 . 1 1 38 38 LEU CG C 13 27.163 0.4 . 1 . . . . 38 LEU CG . 6624 1 385 . 1 1 38 38 LEU CD1 C 13 24.829 0.4 . 2 . . . . 38 LEU CD1 . 6624 1 386 . 1 1 38 38 LEU CD2 C 13 25.607 0.4 . 2 . . . . 38 LEU CD2 . 6624 1 387 . 1 1 38 38 LEU N N 15 118.22 0.1 . 1 . . . . 38 LEU N . 6624 1 388 . 1 1 39 39 GLN H H 1 7.222 0.02 . 1 . . . . 39 GLN HN . 6624 1 389 . 1 1 39 39 GLN HA H 1 3.855 0.02 . 1 . . . . 39 GLN HA . 6624 1 390 . 1 1 39 39 GLN HB2 H 1 2.162 0.02 . 1 . . . . 39 GLN HB# . 6624 1 391 . 1 1 39 39 GLN HB3 H 1 2.162 0.02 . 1 . . . . 39 GLN HB# . 6624 1 392 . 1 1 39 39 GLN HG2 H 1 2.372 0.02 . 2 . . . . 39 GLN HG1 . 6624 1 393 . 1 1 39 39 GLN HG3 H 1 2.454 0.02 . 2 . . . . 39 GLN HG2 . 6624 1 394 . 1 1 39 39 GLN C C 13 178.438 0.4 . 1 . . . . 39 GLN CO . 6624 1 395 . 1 1 39 39 GLN CA C 13 59.118 0.4 . 1 . . . . 39 GLN CA . 6624 1 396 . 1 1 39 39 GLN CB C 13 27.826 0.4 . 1 . . . . 39 GLN CB . 6624 1 397 . 1 1 39 39 GLN CG C 13 33.68 0.4 . 1 . . . . 39 GLN CG . 6624 1 398 . 1 1 39 39 GLN N N 15 116.089 0.1 . 1 . . . . 39 GLN N . 6624 1 399 . 1 1 40 40 GLN H H 1 7.787 0.02 . 1 . . . . 40 GLN HN . 6624 1 400 . 1 1 40 40 GLN HA H 1 3.978 0.02 . 1 . . . . 40 GLN HA . 6624 1 401 . 1 1 40 40 GLN HB2 H 1 2.116 0.02 . 1 . . . . 40 GLN HB# . 6624 1 402 . 1 1 40 40 GLN HB3 H 1 2.116 0.02 . 1 . . . . 40 GLN HB# . 6624 1 403 . 1 1 40 40 GLN HG2 H 1 2.311 0.02 . 2 . . . . 40 GLN HG1 . 6624 1 404 . 1 1 40 40 GLN HG3 H 1 2.469 0.02 . 2 . . . . 40 GLN HG2 . 6624 1 405 . 1 1 40 40 GLN HE21 H 1 6.923 0.02 . 1 . . . . 40 GLN HE21 . 6624 1 406 . 1 1 40 40 GLN HE22 H 1 7.465 0.02 . 1 . . . . 40 GLN HE22 . 6624 1 407 . 1 1 40 40 GLN C C 13 178.504 0.4 . 1 . . . . 40 GLN CO . 6624 1 408 . 1 1 40 40 GLN CA C 13 59.135 0.4 . 1 . . . . 40 GLN CA . 6624 1 409 . 1 1 40 40 GLN CB C 13 27.7 0.4 . 1 . . . . 40 GLN CB . 6624 1 410 . 1 1 40 40 GLN CG C 13 34.257 0.4 . 1 . . . . 40 GLN CG . 6624 1 411 . 1 1 40 40 GLN N N 15 119.984 0.1 . 1 . . . . 40 GLN N . 6624 1 412 . 1 1 40 40 GLN NE2 N 15 108.612 0.1 . 1 . . . . 40 GLN NE2 . 6624 1 413 . 1 1 41 41 ILE H H 1 7.973 0.02 . 1 . . . . 41 ILE HN . 6624 1 414 . 1 1 41 41 ILE HA H 1 3.525 0.02 . 1 . . . . 41 ILE HA . 6624 1 415 . 1 1 41 41 ILE HB H 1 1.724 0.02 . 1 . . . . 41 ILE HB . 6624 1 416 . 1 1 41 41 ILE HG12 H 1 0.314 0.02 . 2 . . . . 41 ILE HG11 . 6624 1 417 . 1 1 41 41 ILE HG13 H 1 1.128 0.02 . 2 . . . . 41 ILE HG12 . 6624 1 418 . 1 1 41 41 ILE HG21 H 1 0.673 0.02 . 1 . . . . 41 ILE HG2# . 6624 1 419 . 1 1 41 41 ILE HG22 H 1 0.673 0.02 . 1 . . . . 41 ILE HG2# . 6624 1 420 . 1 1 41 41 ILE HG23 H 1 0.673 0.02 . 1 . . . . 41 ILE HG2# . 6624 1 421 . 1 1 41 41 ILE HD11 H 1 0.479 0.02 . 1 . . . . 41 ILE HD1# . 6624 1 422 . 1 1 41 41 ILE HD12 H 1 0.479 0.02 . 1 . . . . 41 ILE HD1# . 6624 1 423 . 1 1 41 41 ILE HD13 H 1 0.479 0.02 . 1 . . . . 41 ILE HD1# . 6624 1 424 . 1 1 41 41 ILE C C 13 177.752 0.4 . 1 . . . . 41 ILE CO . 6624 1 425 . 1 1 41 41 ILE CA C 13 64.774 0.4 . 1 . . . . 41 ILE CA . 6624 1 426 . 1 1 41 41 ILE CB C 13 38.432 0.4 . 1 . . . . 41 ILE CB . 6624 1 427 . 1 1 41 41 ILE CG1 C 13 27.868 0.4 . 1 . . . . 41 ILE CG1 . 6624 1 428 . 1 1 41 41 ILE CG2 C 13 17.569 0.4 . 1 . . . . 41 ILE CG2 . 6624 1 429 . 1 1 41 41 ILE CD1 C 13 15.917 0.4 . 1 . . . . 41 ILE CD1 . 6624 1 430 . 1 1 41 41 ILE N N 15 119.175 0.1 . 1 . . . . 41 ILE N . 6624 1 431 . 1 1 42 42 LEU H H 1 7.721 0.02 . 1 . . . . 42 LEU HN . 6624 1 432 . 1 1 42 42 LEU HA H 1 4.101 0.02 . 1 . . . . 42 LEU HA . 6624 1 433 . 1 1 42 42 LEU HB2 H 1 1.47 0.02 . 2 . . . . 42 LEU HB1 . 6624 1 434 . 1 1 42 42 LEU HB3 H 1 1.63 0.02 . 2 . . . . 42 LEU HB2 . 6624 1 435 . 1 1 42 42 LEU HD11 H 1 0.382 0.02 . 2 . . . . 42 LEU HD1# . 6624 1 436 . 1 1 42 42 LEU HD12 H 1 0.382 0.02 . 2 . . . . 42 LEU HD1# . 6624 1 437 . 1 1 42 42 LEU HD13 H 1 0.382 0.02 . 2 . . . . 42 LEU HD1# . 6624 1 438 . 1 1 42 42 LEU HD21 H 1 0.646 0.02 . 2 . . . . 42 LEU HD2# . 6624 1 439 . 1 1 42 42 LEU HD22 H 1 0.646 0.02 . 2 . . . . 42 LEU HD2# . 6624 1 440 . 1 1 42 42 LEU HD23 H 1 0.646 0.02 . 2 . . . . 42 LEU HD2# . 6624 1 441 . 1 1 42 42 LEU C C 13 177.828 0.4 . 1 . . . . 42 LEU CO . 6624 1 442 . 1 1 42 42 LEU CA C 13 55.804 0.4 . 1 . . . . 42 LEU CA . 6624 1 443 . 1 1 42 42 LEU CB C 13 41.908 0.4 . 1 . . . . 42 LEU CB . 6624 1 444 . 1 1 42 42 LEU CD1 C 13 21.7 0.4 . 2 . . . . 42 LEU CD1 . 6624 1 445 . 1 1 42 42 LEU CD2 C 13 25.919 0.4 . 2 . . . . 42 LEU CD2 . 6624 1 446 . 1 1 42 42 LEU N N 15 117.276 0.1 . 1 . . . . 42 LEU N . 6624 1 447 . 1 1 43 43 THR H H 1 7.663 0.02 . 1 . . . . 43 THR HN . 6624 1 448 . 1 1 43 43 THR HA H 1 4.255 0.02 . 1 . . . . 43 THR HA . 6624 1 449 . 1 1 43 43 THR HB H 1 4.294 0.02 . 1 . . . . 43 THR HB . 6624 1 450 . 1 1 43 43 THR HG21 H 1 1.243 0.02 . 1 . . . . 43 THR HG2# . 6624 1 451 . 1 1 43 43 THR HG22 H 1 1.243 0.02 . 1 . . . . 43 THR HG2# . 6624 1 452 . 1 1 43 43 THR HG23 H 1 1.243 0.02 . 1 . . . . 43 THR HG2# . 6624 1 453 . 1 1 43 43 THR C C 13 174.394 0.4 . 1 . . . . 43 THR CO . 6624 1 454 . 1 1 43 43 THR CA C 13 63.553 0.4 . 1 . . . . 43 THR CA . 6624 1 455 . 1 1 43 43 THR CB C 13 69.621 0.4 . 1 . . . . 43 THR CB . 6624 1 456 . 1 1 43 43 THR CG2 C 13 21.281 0.4 . 1 . . . . 43 THR CG2 . 6624 1 457 . 1 1 43 43 THR N N 15 113.609 0.1 . 1 . . . . 43 THR N . 6624 1 458 . 1 1 44 44 ASN H H 1 8.104 0.02 . 1 . . . . 44 ASN HN . 6624 1 459 . 1 1 44 44 ASN HA H 1 4.751 0.02 . 1 . . . . 44 ASN HA . 6624 1 460 . 1 1 44 44 ASN HB2 H 1 2.933 0.02 . 1 . . . . 44 ASN HB# . 6624 1 461 . 1 1 44 44 ASN HB3 H 1 2.933 0.02 . 1 . . . . 44 ASN HB# . 6624 1 462 . 1 1 44 44 ASN HD21 H 1 7.019 0.02 . 1 . . . . 44 ASN HD21 . 6624 1 463 . 1 1 44 44 ASN HD22 H 1 7.797 0.02 . 1 . . . . 44 ASN HD22 . 6624 1 464 . 1 1 44 44 ASN C C 13 175.357 0.4 . 1 . . . . 44 ASN CO . 6624 1 465 . 1 1 44 44 ASN CA C 13 53.696 0.4 . 1 . . . . 44 ASN CA . 6624 1 466 . 1 1 44 44 ASN CB C 13 39.464 0.4 . 1 . . . . 44 ASN CB . 6624 1 467 . 1 1 44 44 ASN N N 15 121.254 0.1 . 1 . . . . 44 ASN N . 6624 1 468 . 1 1 44 44 ASN ND2 N 15 113.696 0.1 . 1 . . . . 44 ASN ND2 . 6624 1 469 . 1 1 45 45 GLU H H 1 8.323 0.02 . 1 . . . . 45 GLU HN . 6624 1 470 . 1 1 45 45 GLU HA H 1 4.266 0.02 . 1 . . . . 45 GLU HA . 6624 1 471 . 1 1 45 45 GLU HB2 H 1 1.99 0.02 . 2 . . . . 45 GLU HB1 . 6624 1 472 . 1 1 45 45 GLU HB3 H 1 2.108 0.02 . 2 . . . . 45 GLU HB2 . 6624 1 473 . 1 1 45 45 GLU HG2 H 1 2.261 0.02 . 1 . . . . 45 GLU HG# . 6624 1 474 . 1 1 45 45 GLU HG3 H 1 2.261 0.02 . 1 . . . . 45 GLU HG# . 6624 1 475 . 1 1 45 45 GLU C C 13 176.575 0.4 . 1 . . . . 45 GLU CO . 6624 1 476 . 1 1 45 45 GLU N N 15 119.749 0.1 . 1 . . . . 45 GLU N . 6624 1 477 . 1 1 46 46 GLN H H 1 8.27 0.02 . 1 . . . . 46 GLN HN . 6624 1 478 . 1 1 46 46 GLN HA H 1 4.268 0.02 . 1 . . . . 46 GLN HA . 6624 1 479 . 1 1 46 46 GLN HB2 H 1 2.007 0.02 . 2 . . . . 46 GLN HB1 . 6624 1 480 . 1 1 46 46 GLN HB3 H 1 2.133 0.02 . 2 . . . . 46 GLN HB2 . 6624 1 481 . 1 1 46 46 GLN HG2 H 1 2.355 0.02 . 1 . . . . 46 GLN HG# . 6624 1 482 . 1 1 46 46 GLN HG3 H 1 2.355 0.02 . 1 . . . . 46 GLN HG# . 6624 1 483 . 1 1 46 46 GLN C C 13 175.88 0.4 . 1 . . . . 46 GLN CO . 6624 1 484 . 1 1 46 46 GLN N N 15 119.172 0.1 . 1 . . . . 46 GLN N . 6624 1 485 . 1 1 47 47 ASP H H 1 8.29 0.02 . 1 . . . . 47 ASP HN . 6624 1 486 . 1 1 47 47 ASP HA H 1 4.569 0.02 . 1 . . . . 47 ASP HA . 6624 1 487 . 1 1 47 47 ASP HB2 H 1 2.564 0.02 . 2 . . . . 47 ASP HB1 . 6624 1 488 . 1 1 47 47 ASP HB3 H 1 2.717 0.02 . 2 . . . . 47 ASP HB2 . 6624 1 489 . 1 1 47 47 ASP C C 13 175.69 0.4 . 1 . . . . 47 ASP CO . 6624 1 490 . 1 1 47 47 ASP CA C 13 54.681 0.4 . 1 . . . . 47 ASP CA . 6624 1 491 . 1 1 47 47 ASP CB C 13 40.947 0.4 . 1 . . . . 47 ASP CB . 6624 1 492 . 1 1 47 47 ASP N N 15 119.821 0.1 . 1 . . . . 47 ASP N . 6624 1 493 . 1 1 48 48 ILE H H 1 7.844 0.02 . 1 . . . . 48 ILE HN . 6624 1 494 . 1 1 48 48 ILE HA H 1 4.164 0.02 . 1 . . . . 48 ILE HA . 6624 1 495 . 1 1 48 48 ILE HB H 1 1.861 0.02 . 1 . . . . 48 ILE HB . 6624 1 496 . 1 1 48 48 ILE HG21 H 1 0.851 0.02 . 1 . . . . 48 ILE HG2# . 6624 1 497 . 1 1 48 48 ILE HG22 H 1 0.851 0.02 . 1 . . . . 48 ILE HG2# . 6624 1 498 . 1 1 48 48 ILE HG23 H 1 0.851 0.02 . 1 . . . . 48 ILE HG2# . 6624 1 499 . 1 1 48 48 ILE HD11 H 1 0.81 0.02 . 1 . . . . 48 ILE HD1# . 6624 1 500 . 1 1 48 48 ILE HD12 H 1 0.81 0.02 . 1 . . . . 48 ILE HD1# . 6624 1 501 . 1 1 48 48 ILE HD13 H 1 0.81 0.02 . 1 . . . . 48 ILE HD1# . 6624 1 502 . 1 1 48 48 ILE C C 13 176.03 0.4 . 1 . . . . 48 ILE CO . 6624 1 503 . 1 1 48 48 ILE CA C 13 61.058 0.4 . 1 . . . . 48 ILE CA . 6624 1 504 . 1 1 48 48 ILE CB C 13 38.727 0.4 . 1 . . . . 48 ILE CB . 6624 1 505 . 1 1 48 48 ILE CG2 C 13 17.661 0.4 . 1 . . . . 48 ILE CG2 . 6624 1 506 . 1 1 48 48 ILE CD1 C 13 13.037 0.4 . 1 . . . . 48 ILE CD1 . 6624 1 507 . 1 1 48 48 ILE N N 15 119.339 0.1 . 1 . . . . 48 ILE N . 6624 1 508 . 1 1 49 49 LYS H H 1 8.301 0.02 . 1 . . . . 49 LYS HN . 6624 1 509 . 1 1 49 49 LYS HA H 1 4.606 0.02 . 1 . . . . 49 LYS HA . 6624 1 510 . 1 1 49 49 LYS HB2 H 1 1.743 0.02 . 2 . . . . 49 LYS HB1 . 6624 1 511 . 1 1 49 49 LYS HB3 H 1 1.802 0.02 . 2 . . . . 49 LYS HB2 . 6624 1 512 . 1 1 49 49 LYS HG2 H 1 1.431 0.02 . 1 . . . . 49 LYS HG# . 6624 1 513 . 1 1 49 49 LYS HG3 H 1 1.431 0.02 . 1 . . . . 49 LYS HG# . 6624 1 514 . 1 1 49 49 LYS HD2 H 1 1.655 0.02 . 1 . . . . 49 LYS HD# . 6624 1 515 . 1 1 49 49 LYS HD3 H 1 1.655 0.02 . 1 . . . . 49 LYS HD# . 6624 1 516 . 1 1 49 49 LYS HE2 H 1 2.978 0.02 . 1 . . . . 49 LYS HE# . 6624 1 517 . 1 1 49 49 LYS HE3 H 1 2.978 0.02 . 1 . . . . 49 LYS HE# . 6624 1 518 . 1 1 49 49 LYS CA C 13 54.059 0.4 . 1 . . . . 49 LYS CA . 6624 1 519 . 1 1 49 49 LYS CB C 13 32.359 0.4 . 1 . . . . 49 LYS CB . 6624 1 520 . 1 1 49 49 LYS CG C 13 24.519 0.4 . 1 . . . . 49 LYS CG . 6624 1 521 . 1 1 49 49 LYS CD C 13 28.966 0.4 . 1 . . . . 49 LYS CD . 6624 1 522 . 1 1 49 49 LYS CE C 13 42.029 0.4 . 1 . . . . 49 LYS CE . 6624 1 523 . 1 1 49 49 LYS N N 15 125.516 0.1 . 1 . . . . 49 LYS N . 6624 1 524 . 1 1 50 50 PRO HA H 1 4.481 0.02 . 1 . . . . 50 PRO HA . 6624 1 525 . 1 1 50 50 PRO HB2 H 1 1.83 0.02 . 2 . . . . 50 PRO HB1 . 6624 1 526 . 1 1 50 50 PRO HB3 H 1 2.236 0.02 . 2 . . . . 50 PRO HB2 . 6624 1 527 . 1 1 50 50 PRO HG2 H 1 1.957 0.02 . 1 . . . . 50 PRO HG# . 6624 1 528 . 1 1 50 50 PRO HG3 H 1 1.957 0.02 . 1 . . . . 50 PRO HG# . 6624 1 529 . 1 1 50 50 PRO HD2 H 1 3.626 0.02 . 2 . . . . 50 PRO HD1 . 6624 1 530 . 1 1 50 50 PRO HD3 H 1 3.778 0.02 . 2 . . . . 50 PRO HD2 . 6624 1 531 . 1 1 50 50 PRO C C 13 176.977 0.4 . 1 . . . . 50 PRO CO . 6624 1 532 . 1 1 50 50 PRO CA C 13 63.063 0.4 . 1 . . . . 50 PRO CA . 6624 1 533 . 1 1 50 50 PRO CB C 13 32.33 0.4 . 1 . . . . 50 PRO CB . 6624 1 534 . 1 1 50 50 PRO CG C 13 27.415 0.4 . 1 . . . . 50 PRO CG . 6624 1 535 . 1 1 50 50 PRO CD C 13 50.629 0.4 . 1 . . . . 50 PRO CD . 6624 1 536 . 1 1 51 51 VAL H H 1 8.39 0.02 . 1 . . . . 51 VAL HN . 6624 1 537 . 1 1 51 51 VAL HA H 1 4.201 0.02 . 1 . . . . 51 VAL HA . 6624 1 538 . 1 1 51 51 VAL HB H 1 2.147 0.02 . 1 . . . . 51 VAL HB . 6624 1 539 . 1 1 51 51 VAL HG11 H 1 0.975 0.02 . 2 . . . . 51 VAL HG1# . 6624 1 540 . 1 1 51 51 VAL HG12 H 1 0.975 0.02 . 2 . . . . 51 VAL HG1# . 6624 1 541 . 1 1 51 51 VAL HG13 H 1 0.975 0.02 . 2 . . . . 51 VAL HG1# . 6624 1 542 . 1 1 51 51 VAL HG21 H 1 0.975 0.02 . 2 . . . . 51 VAL HG2# . 6624 1 543 . 1 1 51 51 VAL HG22 H 1 0.975 0.02 . 2 . . . . 51 VAL HG2# . 6624 1 544 . 1 1 51 51 VAL HG23 H 1 0.975 0.02 . 2 . . . . 51 VAL HG2# . 6624 1 545 . 1 1 51 51 VAL C C 13 177.088 0.4 . 1 . . . . 51 VAL CO . 6624 1 546 . 1 1 51 51 VAL CA C 13 62.398 0.4 . 1 . . . . 51 VAL CA . 6624 1 547 . 1 1 51 51 VAL CB C 13 32.468 0.4 . 1 . . . . 51 VAL CB . 6624 1 548 . 1 1 51 51 VAL CG1 C 13 20.7 0.4 . 2 . . . . 51 VAL CG1 . 6624 1 549 . 1 1 51 51 VAL CG2 C 13 21.648 0.4 . 2 . . . . 51 VAL CG2 . 6624 1 550 . 1 1 51 51 VAL N N 15 120.447 0.1 . 1 . . . . 51 VAL N . 6624 1 551 . 1 1 52 52 THR H H 1 8.287 0.02 . 1 . . . . 52 THR HN . 6624 1 552 . 1 1 52 52 THR HA H 1 4.29 0.02 . 1 . . . . 52 THR HA . 6624 1 553 . 1 1 52 52 THR HB H 1 4.307 0.02 . 1 . . . . 52 THR HB . 6624 1 554 . 1 1 52 52 THR HG21 H 1 1.134 0.02 . 1 . . . . 52 THR HG2# . 6624 1 555 . 1 1 52 52 THR HG22 H 1 1.134 0.02 . 1 . . . . 52 THR HG2# . 6624 1 556 . 1 1 52 52 THR HG23 H 1 1.134 0.02 . 1 . . . . 52 THR HG2# . 6624 1 557 . 1 1 52 52 THR C C 13 174.767 0.4 . 1 . . . . 52 THR CO . 6624 1 558 . 1 1 52 52 THR CA C 13 62.42 0.4 . 1 . . . . 52 THR CA . 6624 1 559 . 1 1 52 52 THR CB C 13 69.177 0.4 . 1 . . . . 52 THR CB . 6624 1 560 . 1 1 52 52 THR CG2 C 13 21.71 0.4 . 1 . . . . 52 THR CG2 . 6624 1 561 . 1 1 52 52 THR N N 15 116.395 0.1 . 1 . . . . 52 THR N . 6624 1 562 . 1 1 53 53 THR H H 1 7.699 0.02 . 1 . . . . 53 THR HN . 6624 1 563 . 1 1 53 53 THR HA H 1 4.275 0.02 . 1 . . . . 53 THR HA . 6624 1 564 . 1 1 53 53 THR HB H 1 4.144 0.02 . 1 . . . . 53 THR HB . 6624 1 565 . 1 1 53 53 THR HG21 H 1 1.059 0.02 . 1 . . . . 53 THR HG2# . 6624 1 566 . 1 1 53 53 THR HG22 H 1 1.059 0.02 . 1 . . . . 53 THR HG2# . 6624 1 567 . 1 1 53 53 THR HG23 H 1 1.059 0.02 . 1 . . . . 53 THR HG2# . 6624 1 568 . 1 1 53 53 THR C C 13 173.916 0.4 . 1 . . . . 53 THR CO . 6624 1 569 . 1 1 53 53 THR CA C 13 62.415 0.4 . 1 . . . . 53 THR CA . 6624 1 570 . 1 1 53 53 THR CB C 13 69.485 0.4 . 1 . . . . 53 THR CB . 6624 1 571 . 1 1 53 53 THR CG2 C 13 21.689 0.4 . 1 . . . . 53 THR CG2 . 6624 1 572 . 1 1 53 53 THR N N 15 114.3 0.1 . 1 . . . . 53 THR N . 6624 1 573 . 1 1 54 54 ASP H H 1 8.292 0.02 . 1 . . . . 54 ASP HN . 6624 1 574 . 1 1 54 54 ASP HA H 1 4.71 0.02 . 1 . . . . 54 ASP HA . 6624 1 575 . 1 1 54 54 ASP HB2 H 1 2.532 0.02 . 2 . . . . 54 ASP HB1 . 6624 1 576 . 1 1 54 54 ASP HB3 H 1 2.609 0.02 . 2 . . . . 54 ASP HB2 . 6624 1 577 . 1 1 54 54 ASP C C 13 175.257 0.4 . 1 . . . . 54 ASP CO . 6624 1 578 . 1 1 54 54 ASP CA C 13 54.681 0.4 . 1 . . . . 54 ASP CA . 6624 1 579 . 1 1 54 54 ASP CB C 13 41.4 0.4 . 1 . . . . 54 ASP CB . 6624 1 580 . 1 1 54 54 ASP N N 15 122.082 0.1 . 1 . . . . 54 ASP N . 6624 1 581 . 1 1 55 55 TYR H H 1 7.988 0.02 . 1 . . . . 55 TYR HN . 6624 1 582 . 1 1 55 55 TYR HA H 1 5.334 0.02 . 1 . . . . 55 TYR HA . 6624 1 583 . 1 1 55 55 TYR HB2 H 1 2.736 0.02 . 2 . . . . 55 TYR HB1 . 6624 1 584 . 1 1 55 55 TYR HB3 H 1 2.906 0.02 . 2 . . . . 55 TYR HB2 . 6624 1 585 . 1 1 55 55 TYR HD1 H 1 6.968 0.02 . 1 . . . . 55 TYR HD# . 6624 1 586 . 1 1 55 55 TYR HD2 H 1 6.968 0.02 . 1 . . . . 55 TYR HD# . 6624 1 587 . 1 1 55 55 TYR C C 13 175.296 0.4 . 1 . . . . 55 TYR CO . 6624 1 588 . 1 1 55 55 TYR CA C 13 57.153 0.4 . 1 . . . . 55 TYR CA . 6624 1 589 . 1 1 55 55 TYR CB C 13 42.74 0.4 . 1 . . . . 55 TYR CB . 6624 1 590 . 1 1 55 55 TYR N N 15 119.177 0.1 . 1 . . . . 55 TYR N . 6624 1 591 . 1 1 56 56 PHE H H 1 8.962 0.02 . 1 . . . . 56 PHE HN . 6624 1 592 . 1 1 56 56 PHE HA H 1 4.761 0.02 . 1 . . . . 56 PHE HA . 6624 1 593 . 1 1 56 56 PHE HB2 H 1 3.167 0.02 . 1 . . . . 56 PHE HB# . 6624 1 594 . 1 1 56 56 PHE HB3 H 1 3.167 0.02 . 1 . . . . 56 PHE HB# . 6624 1 595 . 1 1 56 56 PHE HD1 H 1 7.047 0.02 . 1 . . . . 56 PHE HD# . 6624 1 596 . 1 1 56 56 PHE HD2 H 1 7.047 0.02 . 1 . . . . 56 PHE HD# . 6624 1 597 . 1 1 56 56 PHE C C 13 172.057 0.4 . 1 . . . . 56 PHE CO . 6624 1 598 . 1 1 56 56 PHE CA C 13 56.5 0.4 . 1 . . . . 56 PHE CA . 6624 1 599 . 1 1 56 56 PHE CB C 13 40.747 0.4 . 1 . . . . 56 PHE CB . 6624 1 600 . 1 1 56 56 PHE N N 15 116.139 0.1 . 1 . . . . 56 PHE N . 6624 1 601 . 1 1 57 57 LEU H H 1 9.412 0.02 . 1 . . . . 57 LEU HN . 6624 1 602 . 1 1 57 57 LEU HA H 1 5.055 0.02 . 1 . . . . 57 LEU HA . 6624 1 603 . 1 1 57 57 LEU HB2 H 1 1.092 0.02 . 2 . . . . 57 LEU HB1 . 6624 1 604 . 1 1 57 57 LEU HB3 H 1 1.767 0.02 . 2 . . . . 57 LEU HB2 . 6624 1 605 . 1 1 57 57 LEU HD11 H 1 0.602 0.02 . 2 . . . . 57 LEU HD1# . 6624 1 606 . 1 1 57 57 LEU HD12 H 1 0.602 0.02 . 2 . . . . 57 LEU HD1# . 6624 1 607 . 1 1 57 57 LEU HD13 H 1 0.602 0.02 . 2 . . . . 57 LEU HD1# . 6624 1 608 . 1 1 57 57 LEU HD21 H 1 0.739 0.02 . 2 . . . . 57 LEU HD2# . 6624 1 609 . 1 1 57 57 LEU HD22 H 1 0.739 0.02 . 2 . . . . 57 LEU HD2# . 6624 1 610 . 1 1 57 57 LEU HD23 H 1 0.739 0.02 . 2 . . . . 57 LEU HD2# . 6624 1 611 . 1 1 57 57 LEU C C 13 174.653 0.4 . 1 . . . . 57 LEU CO . 6624 1 612 . 1 1 57 57 LEU CA C 13 53.01 0.4 . 1 . . . . 57 LEU CA . 6624 1 613 . 1 1 57 57 LEU CB C 13 44.541 0.4 . 1 . . . . 57 LEU CB . 6624 1 614 . 1 1 57 57 LEU CD1 C 13 23.257 0.4 . 2 . . . . 57 LEU CD1 . 6624 1 615 . 1 1 57 57 LEU CD2 C 13 26.589 0.4 . 2 . . . . 57 LEU CD2 . 6624 1 616 . 1 1 57 57 LEU N N 15 119.384 0.1 . 1 . . . . 57 LEU N . 6624 1 617 . 1 1 58 58 MET H H 1 9.396 0.02 . 1 . . . . 58 MET HN . 6624 1 618 . 1 1 58 58 MET HA H 1 5.164 0.02 . 1 . . . . 58 MET HA . 6624 1 619 . 1 1 58 58 MET HB2 H 1 1.701 0.02 . 2 . . . . 58 MET HB1 . 6624 1 620 . 1 1 58 58 MET HB3 H 1 1.949 0.02 . 2 . . . . 58 MET HB2 . 6624 1 621 . 1 1 58 58 MET HG2 H 1 2.221 0.02 . 2 . . . . 58 MET HG1 . 6624 1 622 . 1 1 58 58 MET HG3 H 1 2.304 0.02 . 2 . . . . 58 MET HG2 . 6624 1 623 . 1 1 58 58 MET HE1 H 1 1.967 0.02 . 1 . . . . 58 MET HE# . 6624 1 624 . 1 1 58 58 MET HE2 H 1 1.967 0.02 . 1 . . . . 58 MET HE# . 6624 1 625 . 1 1 58 58 MET HE3 H 1 1.967 0.02 . 1 . . . . 58 MET HE# . 6624 1 626 . 1 1 58 58 MET C C 13 174.726 0.4 . 1 . . . . 58 MET CO . 6624 1 627 . 1 1 58 58 MET CA C 13 53.551 0.4 . 1 . . . . 58 MET CA . 6624 1 628 . 1 1 58 58 MET CB C 13 38.066 0.4 . 1 . . . . 58 MET CB . 6624 1 629 . 1 1 58 58 MET CG C 13 32.071 0.4 . 1 . . . . 58 MET CG . 6624 1 630 . 1 1 58 58 MET CE C 13 18.218 0.4 . 1 . . . . 58 MET CE . 6624 1 631 . 1 1 58 58 MET N N 15 122.404 0.1 . 1 . . . . 58 MET N . 6624 1 632 . 1 1 59 59 GLU H H 1 9.34 0.02 . 1 . . . . 59 GLU HN . 6624 1 633 . 1 1 59 59 GLU HA H 1 5.023 0.02 . 1 . . . . 59 GLU HA . 6624 1 634 . 1 1 59 59 GLU HB2 H 1 1.964 0.02 . 1 . . . . 59 GLU HB# . 6624 1 635 . 1 1 59 59 GLU HB3 H 1 1.964 0.02 . 1 . . . . 59 GLU HB# . 6624 1 636 . 1 1 59 59 GLU HG2 H 1 2.226 0.02 . 2 . . . . 59 GLU HG1 . 6624 1 637 . 1 1 59 59 GLU HG3 H 1 2.348 0.02 . 2 . . . . 59 GLU HG2 . 6624 1 638 . 1 1 59 59 GLU C C 13 175.159 0.4 . 1 . . . . 59 GLU CO . 6624 1 639 . 1 1 59 59 GLU CA C 13 55.069 0.4 . 1 . . . . 59 GLU CA . 6624 1 640 . 1 1 59 59 GLU N N 15 126.499 0.1 . 1 . . . . 59 GLU N . 6624 1 641 . 1 1 60 60 GLU H H 1 9.227 0.02 . 1 . . . . 60 GLU HN . 6624 1 642 . 1 1 60 60 GLU HA H 1 5.495 0.02 . 1 . . . . 60 GLU HA . 6624 1 643 . 1 1 60 60 GLU HB2 H 1 1.763 0.02 . 1 . . . . 60 GLU HB# . 6624 1 644 . 1 1 60 60 GLU HB3 H 1 1.763 0.02 . 1 . . . . 60 GLU HB# . 6624 1 645 . 1 1 60 60 GLU HG2 H 1 1.973 0.02 . 2 . . . . 60 GLU HG1 . 6624 1 646 . 1 1 60 60 GLU HG3 H 1 2.119 0.02 . 2 . . . . 60 GLU HG2 . 6624 1 647 . 1 1 60 60 GLU CA C 13 54.028 0.4 . 1 . . . . 60 GLU CA . 6624 1 648 . 1 1 60 60 GLU CB C 13 34.406 0.4 . 1 . . . . 60 GLU CB . 6624 1 649 . 1 1 60 60 GLU CG C 13 38.139 0.4 . 1 . . . . 60 GLU CG . 6624 1 650 . 1 1 60 60 GLU N N 15 127.245 0.1 . 1 . . . . 60 GLU N . 6624 1 651 . 1 1 61 61 LYS HA H 1 4.266 0.02 . 1 . . . . 61 LYS HA . 6624 1 652 . 1 1 61 61 LYS HB2 H 1 1.593 0.02 . 1 . . . . 61 LYS HB1 . 6624 1 653 . 1 1 61 61 LYS HB3 H 1 1.709 0.02 . 1 . . . . 61 LYS HB2 . 6624 1 654 . 1 1 61 61 LYS HG2 H 1 1.315 0.02 . 1 . . . . 61 LYS HG# . 6624 1 655 . 1 1 61 61 LYS HG3 H 1 1.315 0.02 . 1 . . . . 61 LYS HG# . 6624 1 656 . 1 1 61 61 LYS HD2 H 1 1.408 0.02 . 1 . . . . 61 LYS HD# . 6624 1 657 . 1 1 61 61 LYS HD3 H 1 1.408 0.02 . 1 . . . . 61 LYS HD# . 6624 1 658 . 1 1 61 61 LYS HE2 H 1 2.723 0.02 . 1 . . . . 61 LYS HE# . 6624 1 659 . 1 1 61 61 LYS HE3 H 1 2.723 0.02 . 1 . . . . 61 LYS HE# . 6624 1 660 . 1 1 61 61 LYS CA C 13 56.328 0.4 . 1 . . . . 61 LYS CA . 6624 1 661 . 1 1 63 63 PHE C C 13 175.765 0.4 . 1 . . . . 63 PHE CO . 6624 1 662 . 1 1 64 64 ILE H H 1 7.731 0.02 . 1 . . . . 64 ILE HN . 6624 1 663 . 1 1 64 64 ILE HA H 1 4.149 0.02 . 1 . . . . 64 ILE HA . 6624 1 664 . 1 1 64 64 ILE HB H 1 1.681 0.02 . 1 . . . . 64 ILE HB . 6624 1 665 . 1 1 64 64 ILE HG12 H 1 0.989 0.02 . 2 . . . . 64 ILE HG11 . 6624 1 666 . 1 1 64 64 ILE HG13 H 1 1.313 0.02 . 2 . . . . 64 ILE HG12 . 6624 1 667 . 1 1 64 64 ILE HG21 H 1 0.782 0.02 . 1 . . . . 64 ILE HG2# . 6624 1 668 . 1 1 64 64 ILE HG22 H 1 0.782 0.02 . 1 . . . . 64 ILE HG2# . 6624 1 669 . 1 1 64 64 ILE HG23 H 1 0.782 0.02 . 1 . . . . 64 ILE HG2# . 6624 1 670 . 1 1 64 64 ILE HD11 H 1 0.727 0.02 . 1 . . . . 64 ILE HD1# . 6624 1 671 . 1 1 64 64 ILE HD12 H 1 0.727 0.02 . 1 . . . . 64 ILE HD1# . 6624 1 672 . 1 1 64 64 ILE HD13 H 1 0.727 0.02 . 1 . . . . 64 ILE HD1# . 6624 1 673 . 1 1 64 64 ILE C C 13 176.583 0.4 . 1 . . . . 64 ILE CO . 6624 1 674 . 1 1 64 64 ILE CA C 13 61.058 0.4 . 1 . . . . 64 ILE CA . 6624 1 675 . 1 1 64 64 ILE CB C 13 39.009 0.4 . 1 . . . . 64 ILE CB . 6624 1 676 . 1 1 64 64 ILE CG1 C 13 27.369 0.4 . 1 . . . . 64 ILE CG1 . 6624 1 677 . 1 1 64 64 ILE CG2 C 13 17.627 0.4 . 1 . . . . 64 ILE CG2 . 6624 1 678 . 1 1 64 64 ILE CD1 C 13 13.223 0.4 . 1 . . . . 64 ILE CD1 . 6624 1 679 . 1 1 64 64 ILE N N 15 120.18 0.1 . 1 . . . . 64 ILE N . 6624 1 680 . 1 1 65 65 SER H H 1 8.221 0.02 . 1 . . . . 65 SER HN . 6624 1 681 . 1 1 65 65 SER HA H 1 4.461 0.02 . 1 . . . . 65 SER HA . 6624 1 682 . 1 1 65 65 SER HB2 H 1 3.778 0.02 . 2 . . . . 65 SER HB1 . 6624 1 683 . 1 1 65 65 SER HB3 H 1 3.88 0.02 . 2 . . . . 65 SER HB2 . 6624 1 684 . 1 1 65 65 SER C C 13 174.801 0.4 . 1 . . . . 65 SER CO . 6624 1 685 . 1 1 65 65 SER CA C 13 57.507 0.4 . 1 . . . . 65 SER CA . 6624 1 686 . 1 1 65 65 SER CB C 13 64.175 0.4 . 1 . . . . 65 SER CB . 6624 1 687 . 1 1 65 65 SER N N 15 119.619 0.1 . 1 . . . . 65 SER N . 6624 1 688 . 1 1 66 66 LYS H H 1 8.677 0.02 . 1 . . . . 66 LYS HN . 6624 1 689 . 1 1 66 66 LYS HA H 1 4.27 0.02 . 1 . . . . 66 LYS HA . 6624 1 690 . 1 1 66 66 LYS HB2 H 1 1.772 0.02 . 2 . . . . 66 LYS HB1 . 6624 1 691 . 1 1 66 66 LYS HB3 H 1 1.867 0.02 . 2 . . . . 66 LYS HB2 . 6624 1 692 . 1 1 66 66 LYS HG2 H 1 1.422 0.02 . 1 . . . . 66 LYS HG# . 6624 1 693 . 1 1 66 66 LYS HG3 H 1 1.422 0.02 . 1 . . . . 66 LYS HG# . 6624 1 694 . 1 1 66 66 LYS N N 15 124.554 0.1 . 1 . . . . 66 LYS N . 6624 1 695 . 1 1 67 67 GLU HB2 H 1 2.055 0.02 . 2 . . . . 67 GLU HB1 . 6624 1 696 . 1 1 67 67 GLU HB3 H 1 2.233 0.02 . 2 . . . . 67 GLU HB2 . 6624 1 697 . 1 1 67 67 GLU C C 13 176.705 0.4 . 1 . . . . 67 GLU CO . 6624 1 698 . 1 1 68 68 LYS H H 1 8.293 0.02 . 1 . . . . 68 LYS HN . 6624 1 699 . 1 1 68 68 LYS HA H 1 4.151 0.02 . 1 . . . . 68 LYS HA . 6624 1 700 . 1 1 68 68 LYS HB2 H 1 1.777 0.02 . 1 . . . . 68 LYS HB# . 6624 1 701 . 1 1 68 68 LYS HB3 H 1 1.777 0.02 . 1 . . . . 68 LYS HB# . 6624 1 702 . 1 1 68 68 LYS HG2 H 1 1.365 0.02 . 1 . . . . 68 LYS HG# . 6624 1 703 . 1 1 68 68 LYS HG3 H 1 1.365 0.02 . 1 . . . . 68 LYS HG# . 6624 1 704 . 1 1 68 68 LYS HD2 H 1 1.627 0.02 . 1 . . . . 68 LYS HD# . 6624 1 705 . 1 1 68 68 LYS HD3 H 1 1.627 0.02 . 1 . . . . 68 LYS HD# . 6624 1 706 . 1 1 68 68 LYS HE2 H 1 2.932 0.02 . 1 . . . . 68 LYS HE# . 6624 1 707 . 1 1 68 68 LYS HE3 H 1 2.932 0.02 . 1 . . . . 68 LYS HE# . 6624 1 708 . 1 1 68 68 LYS C C 13 176.61 0.4 . 1 . . . . 68 LYS CO . 6624 1 709 . 1 1 68 68 LYS CA C 13 57.065 0.4 . 1 . . . . 68 LYS CA . 6624 1 710 . 1 1 68 68 LYS CG C 13 24.869 0.4 . 1 . . . . 68 LYS CG . 6624 1 711 . 1 1 68 68 LYS CD C 13 28.993 0.4 . 1 . . . . 68 LYS CD . 6624 1 712 . 1 1 68 68 LYS CE C 13 42.269 0.4 . 1 . . . . 68 LYS CE . 6624 1 713 . 1 1 68 68 LYS N N 15 120.81 0.1 . 1 . . . . 68 LYS N . 6624 1 714 . 1 1 69 69 ASN H H 1 8.354 0.02 . 1 . . . . 69 ASN HN . 6624 1 715 . 1 1 69 69 ASN HA H 1 4.601 0.02 . 1 . . . . 69 ASN HA . 6624 1 716 . 1 1 69 69 ASN HB2 H 1 2.774 0.02 . 2 . . . . 69 ASN HB1 . 6624 1 717 . 1 1 69 69 ASN HB3 H 1 2.82 0.02 . 2 . . . . 69 ASN HB2 . 6624 1 718 . 1 1 69 69 ASN HD21 H 1 6.922 0.02 . 1 . . . . 69 ASN HD21 . 6624 1 719 . 1 1 69 69 ASN HD22 H 1 7.597 0.02 . 1 . . . . 69 ASN HD22 . 6624 1 720 . 1 1 69 69 ASN C C 13 175.184 0.4 . 1 . . . . 69 ASN CO . 6624 1 721 . 1 1 69 69 ASN CA C 13 53.637 0.4 . 1 . . . . 69 ASN CA . 6624 1 722 . 1 1 69 69 ASN CB C 13 38.617 0.4 . 1 . . . . 69 ASN CB . 6624 1 723 . 1 1 69 69 ASN N N 15 117.987 0.1 . 1 . . . . 69 ASN N . 6624 1 724 . 1 1 69 69 ASN ND2 N 15 113.194 0.1 . 1 . . . . 69 ASN ND2 . 6624 1 725 . 1 1 70 70 GLU H H 1 8.201 0.02 . 1 . . . . 70 GLU HN . 6624 1 726 . 1 1 70 70 GLU HA H 1 4.273 0.02 . 1 . . . . 70 GLU HA . 6624 1 727 . 1 1 70 70 GLU HB2 H 1 1.955 0.02 . 2 . . . . 70 GLU HB1 . 6624 1 728 . 1 1 70 70 GLU HB3 H 1 2.042 0.02 . 2 . . . . 70 GLU HB2 . 6624 1 729 . 1 1 70 70 GLU HG2 H 1 2.235 0.02 . 1 . . . . 70 GLU HG# . 6624 1 730 . 1 1 70 70 GLU HG3 H 1 2.235 0.02 . 1 . . . . 70 GLU HG# . 6624 1 731 . 1 1 70 70 GLU N N 15 120.041 0.1 . 1 . . . . 70 GLU N . 6624 1 732 . 1 1 71 71 CYS H H 1 8.333 0.02 . 1 . . . . 71 CYS HN . 6624 1 733 . 1 1 71 71 CYS HA H 1 4.443 0.02 . 1 . . . . 71 CYS HA . 6624 1 734 . 1 1 71 71 CYS HB2 H 1 2.843 0.02 . 1 . . . . 71 CYS HB# . 6624 1 735 . 1 1 71 71 CYS HB3 H 1 2.843 0.02 . 1 . . . . 71 CYS HB# . 6624 1 736 . 1 1 71 71 CYS C C 13 174.654 0.4 . 1 . . . . 71 CYS CO . 6624 1 737 . 1 1 71 71 CYS CA C 13 58.829 0.4 . 1 . . . . 71 CYS CA . 6624 1 738 . 1 1 71 71 CYS CB C 13 27.706 0.4 . 1 . . . . 71 CYS CB . 6624 1 739 . 1 1 71 71 CYS N N 15 119.304 0.1 . 1 . . . . 71 CYS N . 6624 1 740 . 1 1 72 72 ARG H H 1 8.442 0.02 . 1 . . . . 72 ARG HN . 6624 1 741 . 1 1 72 72 ARG HA H 1 4.312 0.02 . 1 . . . . 72 ARG HA . 6624 1 742 . 1 1 72 72 ARG HB2 H 1 1.758 0.02 . 1 . . . . 72 ARG HB# . 6624 1 743 . 1 1 72 72 ARG HB3 H 1 1.758 0.02 . 1 . . . . 72 ARG HB# . 6624 1 744 . 1 1 72 72 ARG HG2 H 1 1.609 0.02 . 1 . . . . 72 ARG HG# . 6624 1 745 . 1 1 72 72 ARG HG3 H 1 1.609 0.02 . 1 . . . . 72 ARG HG# . 6624 1 746 . 1 1 72 72 ARG C C 13 176.177 0.4 . 1 . . . . 72 ARG CO . 6624 1 747 . 1 1 72 72 ARG N N 15 124.047 0.1 . 1 . . . . 72 ARG N . 6624 1 748 . 1 1 73 73 LYS H H 1 8.291 0.02 . 1 . . . . 73 LYS HN . 6624 1 749 . 1 1 73 73 LYS HA H 1 4.316 0.02 . 1 . . . . 73 LYS HA . 6624 1 750 . 1 1 73 73 LYS HB2 H 1 1.607 0.02 . 2 . . . . 73 LYS HB1 . 6624 1 751 . 1 1 73 73 LYS HB3 H 1 1.731 0.02 . 2 . . . . 73 LYS HB2 . 6624 1 752 . 1 1 73 73 LYS HG2 H 1 1.33 0.02 . 1 . . . . 73 LYS HG# . 6624 1 753 . 1 1 73 73 LYS HG3 H 1 1.33 0.02 . 1 . . . . 73 LYS HG# . 6624 1 754 . 1 1 73 73 LYS N N 15 123.253 0.1 . 1 . . . . 73 LYS N . 6624 1 755 . 1 1 74 74 GLN HA H 1 4.512 0.02 . 1 . . . . 74 GLN HA . 6624 1 756 . 1 1 74 74 GLN HB2 H 1 1.914 0.02 . 2 . . . . 74 GLN HB1 . 6624 1 757 . 1 1 74 74 GLN HB3 H 1 2.071 0.02 . 2 . . . . 74 GLN HB2 . 6624 1 758 . 1 1 74 74 GLN HG2 H 1 2.39 0.02 . 1 . . . . 74 GLN HG# . 6624 1 759 . 1 1 74 74 GLN HG3 H 1 2.39 0.02 . 1 . . . . 74 GLN HG# . 6624 1 760 . 1 1 74 74 GLN CA C 13 53.795 0.4 . 1 . . . . 74 GLN CA . 6624 1 761 . 1 1 74 74 GLN CB C 13 28.687 0.4 . 1 . . . . 74 GLN CB . 6624 1 762 . 1 1 74 74 GLN CG C 13 33.542 0.4 . 1 . . . . 74 GLN CG . 6624 1 763 . 1 1 75 75 PRO HB2 H 1 2.042 0.02 . 2 . . . . 75 PRO HB2 . 6624 1 764 . 1 1 75 75 PRO HG2 H 1 1.804 0.02 . 2 . . . . 75 PRO HG1 . 6624 1 765 . 1 1 75 75 PRO HG3 H 1 1.895 0.02 . 2 . . . . 75 PRO HG2 . 6624 1 766 . 1 1 75 75 PRO HD2 H 1 3.463 0.02 . 2 . . . . 75 PRO HD1 . 6624 1 767 . 1 1 75 75 PRO HD3 H 1 3.575 0.02 . 2 . . . . 75 PRO HD2 . 6624 1 768 . 1 1 75 75 PRO CG C 13 24.798 0.4 . 1 . . . . 75 PRO CG . 6624 1 769 . 1 1 75 75 PRO CD C 13 50.19 0.4 . 1 . . . . 75 PRO CD . 6624 1 770 . 1 1 77 77 GLN C C 13 174.814 0.4 . 1 . . . . 77 GLN CO . 6624 1 771 . 1 1 78 78 ARG H H 1 8.827 0.02 . 1 . . . . 78 ARG HN . 6624 1 772 . 1 1 78 78 ARG HA H 1 4.469 0.02 . 1 . . . . 78 ARG HA . 6624 1 773 . 1 1 78 78 ARG HB2 H 1 1.571 0.02 . 2 . . . . 78 ARG HB1 . 6624 1 774 . 1 1 78 78 ARG HB3 H 1 2.245 0.02 . 2 . . . . 78 ARG HB2 . 6624 1 775 . 1 1 78 78 ARG HG2 H 1 1.321 0.02 . 2 . . . . 78 ARG HG1 . 6624 1 776 . 1 1 78 78 ARG C C 13 174.089 0.4 . 1 . . . . 78 ARG CO . 6624 1 777 . 1 1 78 78 ARG CA C 13 54.859 0.4 . 1 . . . . 78 ARG CA . 6624 1 778 . 1 1 78 78 ARG CB C 13 35.838 0.4 . 1 . . . . 78 ARG CB . 6624 1 779 . 1 1 78 78 ARG CG C 13 25.969 0.4 . 1 . . . . 78 ARG CG . 6624 1 780 . 1 1 78 78 ARG N N 15 122.162 0.1 . 1 . . . . 78 ARG N . 6624 1 781 . 1 1 79 79 ALA H H 1 8.913 0.02 . 1 . . . . 79 ALA HN . 6624 1 782 . 1 1 79 79 ALA HA H 1 4.558 0.02 . 1 . . . . 79 ALA HA . 6624 1 783 . 1 1 79 79 ALA HB1 H 1 1.226 0.02 . 1 . . . . 79 ALA HB# . 6624 1 784 . 1 1 79 79 ALA HB2 H 1 1.226 0.02 . 1 . . . . 79 ALA HB# . 6624 1 785 . 1 1 79 79 ALA HB3 H 1 1.226 0.02 . 1 . . . . 79 ALA HB# . 6624 1 786 . 1 1 79 79 ALA C C 13 176.648 0.4 . 1 . . . . 79 ALA CO . 6624 1 787 . 1 1 79 79 ALA CA C 13 53.072 0.4 . 1 . . . . 79 ALA CA . 6624 1 788 . 1 1 79 79 ALA CB C 13 18.635 0.4 . 1 . . . . 79 ALA CB . 6624 1 789 . 1 1 79 79 ALA N N 15 129.854 0.1 . 1 . . . . 79 ALA N . 6624 1 790 . 1 1 80 80 ILE H H 1 8.911 0.02 . 1 . . . . 80 ILE HN . 6624 1 791 . 1 1 80 80 ILE HA H 1 3.957 0.02 . 1 . . . . 80 ILE HA . 6624 1 792 . 1 1 80 80 ILE HB H 1 1.618 0.02 . 1 . . . . 80 ILE HB . 6624 1 793 . 1 1 80 80 ILE HG12 H 1 0.882 0.02 . 2 . . . . 80 ILE HG11 . 6624 1 794 . 1 1 80 80 ILE HG13 H 1 1.815 0.02 . 2 . . . . 80 ILE HG12 . 6624 1 795 . 1 1 80 80 ILE HG21 H 1 0.842 0.02 . 1 . . . . 80 ILE HG2# . 6624 1 796 . 1 1 80 80 ILE HG22 H 1 0.842 0.02 . 1 . . . . 80 ILE HG2# . 6624 1 797 . 1 1 80 80 ILE HG23 H 1 0.842 0.02 . 1 . . . . 80 ILE HG2# . 6624 1 798 . 1 1 80 80 ILE HD11 H 1 0.689 0.02 . 1 . . . . 80 ILE HD1# . 6624 1 799 . 1 1 80 80 ILE HD12 H 1 0.689 0.02 . 1 . . . . 80 ILE HD1# . 6624 1 800 . 1 1 80 80 ILE HD13 H 1 0.689 0.02 . 1 . . . . 80 ILE HD1# . 6624 1 801 . 1 1 80 80 ILE C C 13 177.31 0.4 . 1 . . . . 80 ILE CO . 6624 1 802 . 1 1 80 80 ILE CA C 13 61.581 0.4 . 1 . . . . 80 ILE CA . 6624 1 803 . 1 1 80 80 ILE CB C 13 38.381 0.4 . 1 . . . . 80 ILE CB . 6624 1 804 . 1 1 80 80 ILE CG1 C 13 28.52 0.4 . 1 . . . . 80 ILE CG1 . 6624 1 805 . 1 1 80 80 ILE CG2 C 13 18.431 0.4 . 1 . . . . 80 ILE CG2 . 6624 1 806 . 1 1 80 80 ILE CD1 C 13 14.68 0.4 . 1 . . . . 80 ILE CD1 . 6624 1 807 . 1 1 80 80 ILE N N 15 125.994 0.1 . 1 . . . . 80 ILE N . 6624 1 808 . 1 1 81 81 GLY H H 1 9.641 0.02 . 1 . . . . 81 GLY HN . 6624 1 809 . 1 1 81 81 GLY HA2 H 1 3.912 0.02 . 1 . . . . 81 GLY HA1 . 6624 1 810 . 1 1 81 81 GLY HA3 H 1 4.331 0.02 . 1 . . . . 81 GLY HA2 . 6624 1 811 . 1 1 81 81 GLY CA C 13 44.6 0.4 . 1 . . . . 81 GLY CA . 6624 1 812 . 1 1 81 81 GLY N N 15 120.106 0.1 . 1 . . . . 81 GLY N . 6624 1 813 . 1 1 82 82 PRO HA H 1 4.26 0.02 . 1 . . . . 82 PRO HA . 6624 1 814 . 1 1 82 82 PRO HB2 H 1 1.984 0.02 . 2 . . . . 82 PRO HB1 . 6624 1 815 . 1 1 82 82 PRO HB3 H 1 2.481 0.02 . 2 . . . . 82 PRO HB2 . 6624 1 816 . 1 1 82 82 PRO HG2 H 1 2.126 0.02 . 1 . . . . 82 PRO HG# . 6624 1 817 . 1 1 82 82 PRO HG3 H 1 2.126 0.02 . 1 . . . . 82 PRO HG# . 6624 1 818 . 1 1 82 82 PRO HD2 H 1 3.752 0.02 . 2 . . . . 82 PRO HD1 . 6624 1 819 . 1 1 82 82 PRO HD3 H 1 3.806 0.02 . 2 . . . . 82 PRO HD2 . 6624 1 820 . 1 1 82 82 PRO C C 13 177.949 0.4 . 1 . . . . 82 PRO CO . 6624 1 821 . 1 1 82 82 PRO CA C 13 64.629 0.4 . 1 . . . . 82 PRO CA . 6624 1 822 . 1 1 82 82 PRO CB C 13 33.123 0.4 . 1 . . . . 82 PRO CB . 6624 1 823 . 1 1 82 82 PRO CG C 13 27.529 0.4 . 1 . . . . 82 PRO CG . 6624 1 824 . 1 1 82 82 PRO CD C 13 50.046 0.4 . 1 . . . . 82 PRO CD . 6624 1 825 . 1 1 83 83 GLU H H 1 8.437 0.02 . 1 . . . . 83 GLU HN . 6624 1 826 . 1 1 83 83 GLU HA H 1 4.439 0.02 . 1 . . . . 83 GLU HA . 6624 1 827 . 1 1 83 83 GLU HB2 H 1 1.802 0.02 . 2 . . . . 83 GLU HB1 . 6624 1 828 . 1 1 83 83 GLU HB3 H 1 2.306 0.02 . 2 . . . . 83 GLU HB2 . 6624 1 829 . 1 1 83 83 GLU HG2 H 1 2.162 0.02 . 2 . . . . 83 GLU HG1 . 6624 1 830 . 1 1 83 83 GLU HG3 H 1 2.357 0.02 . 2 . . . . 83 GLU HG2 . 6624 1 831 . 1 1 83 83 GLU C C 13 177.028 0.4 . 1 . . . . 83 GLU CO . 6624 1 832 . 1 1 83 83 GLU CA C 13 54.853 0.4 . 1 . . . . 83 GLU CA . 6624 1 833 . 1 1 83 83 GLU CB C 13 28.943 0.4 . 1 . . . . 83 GLU CB . 6624 1 834 . 1 1 83 83 GLU CG C 13 35.333 0.4 . 1 . . . . 83 GLU CG . 6624 1 835 . 1 1 83 83 GLU N N 15 111.646 0.1 . 1 . . . . 83 GLU N . 6624 1 836 . 1 1 84 84 GLU H H 1 7.604 0.02 . 1 . . . . 84 GLU HN . 6624 1 837 . 1 1 84 84 GLU HA H 1 3.993 0.02 . 1 . . . . 84 GLU HA . 6624 1 838 . 1 1 84 84 GLU HB2 H 1 1.941 0.02 . 1 . . . . 84 GLU HB# . 6624 1 839 . 1 1 84 84 GLU HB3 H 1 1.941 0.02 . 1 . . . . 84 GLU HB# . 6624 1 840 . 1 1 84 84 GLU HG2 H 1 2.155 0.02 . 2 . . . . 84 GLU HG1 . 6624 1 841 . 1 1 84 84 GLU HG3 H 1 2.298 0.02 . 2 . . . . 84 GLU HG2 . 6624 1 842 . 1 1 84 84 GLU C C 13 176.919 0.4 . 1 . . . . 84 GLU CO . 6624 1 843 . 1 1 84 84 GLU CA C 13 58.395 0.4 . 1 . . . . 84 GLU CA . 6624 1 844 . 1 1 84 84 GLU CB C 13 30.236 0.4 . 1 . . . . 84 GLU CB . 6624 1 845 . 1 1 84 84 GLU CG C 13 38.593 0.4 . 1 . . . . 84 GLU CG . 6624 1 846 . 1 1 84 84 GLU N N 15 119.487 0.1 . 1 . . . . 84 GLU N . 6624 1 847 . 1 1 85 85 GLU H H 1 8.964 0.02 . 1 . . . . 85 GLU HN . 6624 1 848 . 1 1 85 85 GLU HA H 1 4.344 0.02 . 1 . . . . 85 GLU HA . 6624 1 849 . 1 1 85 85 GLU HB2 H 1 1.93 0.02 . 2 . . . . 85 GLU HB1 . 6624 1 850 . 1 1 85 85 GLU HB3 H 1 2.02 0.02 . 2 . . . . 85 GLU HB2 . 6624 1 851 . 1 1 85 85 GLU HG2 H 1 2.19 0.02 . 2 . . . . 85 GLU HG1 . 6624 1 852 . 1 1 85 85 GLU HG3 H 1 2.298 0.02 . 2 . . . . 85 GLU HG2 . 6624 1 853 . 1 1 85 85 GLU C C 13 177.402 0.4 . 1 . . . . 85 GLU CO . 6624 1 854 . 1 1 85 85 GLU CA C 13 56.05 0.4 . 1 . . . . 85 GLU CA . 6624 1 855 . 1 1 85 85 GLU N N 15 122.152 0.1 . 1 . . . . 85 GLU N . 6624 1 856 . 1 1 86 86 ILE H H 1 7.815 0.02 . 1 . . . . 86 ILE HN . 6624 1 857 . 1 1 86 86 ILE HA H 1 3.515 0.02 . 1 . . . . 86 ILE HA . 6624 1 858 . 1 1 86 86 ILE HB H 1 1.821 0.02 . 1 . . . . 86 ILE HB . 6624 1 859 . 1 1 86 86 ILE HG12 H 1 1.136 0.02 . 2 . . . . 86 ILE HG11 . 6624 1 860 . 1 1 86 86 ILE HG13 H 1 1.396 0.02 . 2 . . . . 86 ILE HG12 . 6624 1 861 . 1 1 86 86 ILE HG21 H 1 0.65 0.02 . 1 . . . . 86 ILE HG2# . 6624 1 862 . 1 1 86 86 ILE HG22 H 1 0.65 0.02 . 1 . . . . 86 ILE HG2# . 6624 1 863 . 1 1 86 86 ILE HG23 H 1 0.65 0.02 . 1 . . . . 86 ILE HG2# . 6624 1 864 . 1 1 86 86 ILE HD11 H 1 0.562 0.02 . 1 . . . . 86 ILE HD1# . 6624 1 865 . 1 1 86 86 ILE HD12 H 1 0.562 0.02 . 1 . . . . 86 ILE HD1# . 6624 1 866 . 1 1 86 86 ILE HD13 H 1 0.562 0.02 . 1 . . . . 86 ILE HD1# . 6624 1 867 . 1 1 86 86 ILE C C 13 177.918 0.4 . 1 . . . . 86 ILE CO . 6624 1 868 . 1 1 86 86 ILE CA C 13 61.488 0.4 . 1 . . . . 86 ILE CA . 6624 1 869 . 1 1 86 86 ILE CB C 13 35.114 0.4 . 1 . . . . 86 ILE CB . 6624 1 870 . 1 1 86 86 ILE CG1 C 13 26.459 0.4 . 1 . . . . 86 ILE CG1 . 6624 1 871 . 1 1 86 86 ILE CG2 C 13 17.897 0.4 . 1 . . . . 86 ILE CG2 . 6624 1 872 . 1 1 86 86 ILE CD1 C 13 7.899 0.4 . 1 . . . . 86 ILE CD1 . 6624 1 873 . 1 1 86 86 ILE N N 15 125.78 0.1 . 1 . . . . 86 ILE N . 6624 1 874 . 1 1 87 87 MET H H 1 9.886 0.02 . 1 . . . . 87 MET HN . 6624 1 875 . 1 1 87 87 MET HA H 1 4.263 0.02 . 1 . . . . 87 MET HA . 6624 1 876 . 1 1 87 87 MET HB2 H 1 1.831 0.02 . 1 . . . . 87 MET HB# . 6624 1 877 . 1 1 87 87 MET HB3 H 1 1.831 0.02 . 1 . . . . 87 MET HB# . 6624 1 878 . 1 1 87 87 MET HG2 H 1 2.092 0.02 . 2 . . . . 87 MET HG1 . 6624 1 879 . 1 1 87 87 MET HG3 H 1 2.267 0.02 . 2 . . . . 87 MET HG2 . 6624 1 880 . 1 1 87 87 MET HE1 H 1 1.407 0.02 . 1 . . . . 87 MET HE# . 6624 1 881 . 1 1 87 87 MET HE2 H 1 1.407 0.02 . 1 . . . . 87 MET HE# . 6624 1 882 . 1 1 87 87 MET HE3 H 1 1.407 0.02 . 1 . . . . 87 MET HE# . 6624 1 883 . 1 1 87 87 MET C C 13 179.695 0.4 . 1 . . . . 87 MET CO . 6624 1 884 . 1 1 87 87 MET CB C 13 28.639 0.4 . 1 . . . . 87 MET CB . 6624 1 885 . 1 1 87 87 MET CG C 13 31.759 0.4 . 1 . . . . 87 MET CG . 6624 1 886 . 1 1 87 87 MET CE C 13 14.917 0.4 . 1 . . . . 87 MET CE . 6624 1 887 . 1 1 87 87 MET N N 15 116.753 0.1 . 1 . . . . 87 MET N . 6624 1 888 . 1 1 88 88 GLN H H 1 7.135 0.02 . 1 . . . . 88 GLN HN . 6624 1 889 . 1 1 88 88 GLN HA H 1 3.953 0.02 . 1 . . . . 88 GLN HA . 6624 1 890 . 1 1 88 88 GLN HB2 H 1 2.144 0.02 . 2 . . . . 88 GLN HB1 . 6624 1 891 . 1 1 88 88 GLN HB3 H 1 2.192 0.02 . 2 . . . . 88 GLN HB2 . 6624 1 892 . 1 1 88 88 GLN HG2 H 1 2.296 0.02 . 2 . . . . 88 GLN HG1 . 6624 1 893 . 1 1 88 88 GLN HG3 H 1 2.419 0.02 . 2 . . . . 88 GLN HG2 . 6624 1 894 . 1 1 88 88 GLN C C 13 178.38 0.4 . 1 . . . . 88 GLN CO . 6624 1 895 . 1 1 88 88 GLN CA C 13 58.446 0.4 . 1 . . . . 88 GLN CA . 6624 1 896 . 1 1 88 88 GLN CB C 13 28.188 0.4 . 1 . . . . 88 GLN CB . 6624 1 897 . 1 1 88 88 GLN CG C 13 33.823 0.4 . 1 . . . . 88 GLN CG . 6624 1 898 . 1 1 88 88 GLN N N 15 119.059 0.1 . 1 . . . . 88 GLN N . 6624 1 899 . 1 1 89 89 ILE H H 1 7.183 0.02 . 1 . . . . 89 ILE HN . 6624 1 900 . 1 1 89 89 ILE HA H 1 3.461 0.02 . 1 . . . . 89 ILE HA . 6624 1 901 . 1 1 89 89 ILE HB H 1 1.866 0.02 . 1 . . . . 89 ILE HB . 6624 1 902 . 1 1 89 89 ILE HG12 H 1 0.788 0.02 . 2 . . . . 89 ILE HG11 . 6624 1 903 . 1 1 89 89 ILE HG13 H 1 1.701 0.02 . 2 . . . . 89 ILE HG12 . 6624 1 904 . 1 1 89 89 ILE HG21 H 1 0.618 0.02 . 1 . . . . 89 ILE HG2# . 6624 1 905 . 1 1 89 89 ILE HG22 H 1 0.618 0.02 . 1 . . . . 89 ILE HG2# . 6624 1 906 . 1 1 89 89 ILE HG23 H 1 0.618 0.02 . 1 . . . . 89 ILE HG2# . 6624 1 907 . 1 1 89 89 ILE HD11 H 1 0.789 0.02 . 1 . . . . 89 ILE HD1# . 6624 1 908 . 1 1 89 89 ILE HD12 H 1 0.789 0.02 . 1 . . . . 89 ILE HD1# . 6624 1 909 . 1 1 89 89 ILE HD13 H 1 0.789 0.02 . 1 . . . . 89 ILE HD1# . 6624 1 910 . 1 1 89 89 ILE C C 13 178.72 0.4 . 1 . . . . 89 ILE CO . 6624 1 911 . 1 1 89 89 ILE CA C 13 64.403 0.4 . 1 . . . . 89 ILE CA . 6624 1 912 . 1 1 89 89 ILE CB C 13 37.943 0.4 . 1 . . . . 89 ILE CB . 6624 1 913 . 1 1 89 89 ILE CG1 C 13 28.174 0.4 . 1 . . . . 89 ILE CG1 . 6624 1 914 . 1 1 89 89 ILE CG2 C 13 16.487 0.4 . 1 . . . . 89 ILE CG2 . 6624 1 915 . 1 1 89 89 ILE CD1 C 13 15.17 0.4 . 1 . . . . 89 ILE CD1 . 6624 1 916 . 1 1 89 89 ILE N N 15 121.172 0.1 . 1 . . . . 89 ILE N . 6624 1 917 . 1 1 90 90 LEU H H 1 7.287 0.02 . 1 . . . . 90 LEU HN . 6624 1 918 . 1 1 90 90 LEU HA H 1 2.273 0.02 . 1 . . . . 90 LEU HA . 6624 1 919 . 1 1 90 90 LEU HB2 H 1 1.202 0.02 . 2 . . . . 90 LEU HB1 . 6624 1 920 . 1 1 90 90 LEU HB3 H 1 1.323 0.02 . 2 . . . . 90 LEU HB2 . 6624 1 921 . 1 1 90 90 LEU HG H 1 1.4 0.02 . 1 . . . . 90 LEU HG . 6624 1 922 . 1 1 90 90 LEU HD11 H 1 0.535 0.02 . 2 . . . . 90 LEU HD1# . 6624 1 923 . 1 1 90 90 LEU HD12 H 1 0.535 0.02 . 2 . . . . 90 LEU HD1# . 6624 1 924 . 1 1 90 90 LEU HD13 H 1 0.535 0.02 . 2 . . . . 90 LEU HD1# . 6624 1 925 . 1 1 90 90 LEU HD21 H 1 0.58 0.02 . 2 . . . . 90 LEU HD2# . 6624 1 926 . 1 1 90 90 LEU HD22 H 1 0.58 0.02 . 2 . . . . 90 LEU HD2# . 6624 1 927 . 1 1 90 90 LEU HD23 H 1 0.58 0.02 . 2 . . . . 90 LEU HD2# . 6624 1 928 . 1 1 90 90 LEU C C 13 180.025 0.4 . 1 . . . . 90 LEU CO . 6624 1 929 . 1 1 90 90 LEU CA C 13 57.823 0.4 . 1 . . . . 90 LEU CA . 6624 1 930 . 1 1 90 90 LEU CB C 13 41.042 0.4 . 1 . . . . 90 LEU CB . 6624 1 931 . 1 1 90 90 LEU CG C 13 28.759 0.4 . 1 . . . . 90 LEU CG . 6624 1 932 . 1 1 90 90 LEU CD1 C 13 24.469 0.4 . 2 . . . . 90 LEU CD1 . 6624 1 933 . 1 1 90 90 LEU CD2 C 13 24.436 0.4 . 2 . . . . 90 LEU CD2 . 6624 1 934 . 1 1 90 90 LEU N N 15 119.6 0.1 . 1 . . . . 90 LEU N . 6624 1 935 . 1 1 91 91 SER H H 1 7.623 0.02 . 1 . . . . 91 SER HN . 6624 1 936 . 1 1 91 91 SER HA H 1 4.117 0.02 . 1 . . . . 91 SER HA . 6624 1 937 . 1 1 91 91 SER HB2 H 1 3.851 0.02 . 1 . . . . 91 SER HB# . 6624 1 938 . 1 1 91 91 SER HB3 H 1 3.851 0.02 . 1 . . . . 91 SER HB# . 6624 1 939 . 1 1 91 91 SER C C 13 174.28 0.4 . 1 . . . . 91 SER CO . 6624 1 940 . 1 1 91 91 SER CA C 13 60.302 0.4 . 1 . . . . 91 SER CA . 6624 1 941 . 1 1 91 91 SER CB C 13 63.038 0.4 . 1 . . . . 91 SER CB . 6624 1 942 . 1 1 91 91 SER N N 15 111.761 0.1 . 1 . . . . 91 SER N . 6624 1 943 . 1 1 92 92 SER H H 1 7.271 0.02 . 1 . . . . 92 SER HN . 6624 1 944 . 1 1 92 92 SER HA H 1 4.36 0.02 . 1 . . . . 92 SER HA . 6624 1 945 . 1 1 92 92 SER HB2 H 1 3.902 0.02 . 2 . . . . 92 SER HB1 . 6624 1 946 . 1 1 92 92 SER HB3 H 1 3.995 0.02 . 2 . . . . 92 SER HB2 . 6624 1 947 . 1 1 92 92 SER C C 13 173.707 0.4 . 1 . . . . 92 SER CO . 6624 1 948 . 1 1 92 92 SER CA C 13 58.789 0.4 . 1 . . . . 92 SER CA . 6624 1 949 . 1 1 92 92 SER CB C 13 64.153 0.4 . 1 . . . . 92 SER CB . 6624 1 950 . 1 1 92 92 SER N N 15 116.635 0.1 . 1 . . . . 92 SER N . 6624 1 951 . 1 1 93 93 TRP H H 1 6.962 0.02 . 1 . . . . 93 TRP HN . 6624 1 952 . 1 1 93 93 TRP HA H 1 5.111 0.02 . 1 . . . . 93 TRP HA . 6624 1 953 . 1 1 93 93 TRP HB2 H 1 3.099 0.02 . 2 . . . . 93 TRP HB1 . 6624 1 954 . 1 1 93 93 TRP HB3 H 1 3.451 0.02 . 2 . . . . 93 TRP HB2 . 6624 1 955 . 1 1 93 93 TRP HE1 H 1 11.08 0.02 . 1 . . . . 93 TRP HE1 . 6624 1 956 . 1 1 93 93 TRP HE3 H 1 7.671 0.02 . 1 . . . . 93 TRP HE3 . 6624 1 957 . 1 1 93 93 TRP CA C 13 54.212 0.4 . 1 . . . . 93 TRP CA . 6624 1 958 . 1 1 93 93 TRP CB C 13 28.936 0.4 . 1 . . . . 93 TRP CB . 6624 1 959 . 1 1 93 93 TRP N N 15 123.56 0.1 . 1 . . . . 93 TRP N . 6624 1 960 . 1 1 93 93 TRP NE1 N 15 130.03 0.1 . 1 . . . . 93 TRP NE1 . 6624 1 961 . 1 1 94 94 PHE H H 1 8.313 0.02 . 1 . . . . 94 PHE HN . 6624 1 962 . 1 1 94 94 PHE HA H 1 5.068 0.02 . 1 . . . . 94 PHE HA . 6624 1 963 . 1 1 94 94 PHE HB2 H 1 2.964 0.02 . 2 . . . . 94 PHE HB1 . 6624 1 964 . 1 1 94 94 PHE HB3 H 1 3.233 0.02 . 2 . . . . 94 PHE HB2 . 6624 1 965 . 1 1 94 94 PHE HD1 H 1 7.324 0.02 . 1 . . . . 94 PHE HD# . 6624 1 966 . 1 1 94 94 PHE HD2 H 1 7.324 0.02 . 1 . . . . 94 PHE HD# . 6624 1 967 . 1 1 94 94 PHE CA C 13 55.141 0.4 . 1 . . . . 94 PHE CA . 6624 1 968 . 1 1 94 94 PHE CB C 13 39.216 0.4 . 1 . . . . 94 PHE CB . 6624 1 969 . 1 1 94 94 PHE N N 15 122.035 0.1 . 1 . . . . 94 PHE N . 6624 1 970 . 1 1 95 95 PRO HG2 H 1 2.075 0.02 . 1 . . . . 95 PRO HG# . 6624 1 971 . 1 1 95 95 PRO HG3 H 1 2.075 0.02 . 1 . . . . 95 PRO HG# . 6624 1 972 . 1 1 95 95 PRO HD2 H 1 3.729 0.02 . 2 . . . . 95 PRO HD1 . 6624 1 973 . 1 1 95 95 PRO HD3 H 1 3.935 0.02 . 2 . . . . 95 PRO HD2 . 6624 1 974 . 1 1 95 95 PRO CG C 13 27.576 0.4 . 1 . . . . 95 PRO CG . 6624 1 975 . 1 1 95 95 PRO CD C 13 50.881 0.4 . 1 . . . . 95 PRO CD . 6624 1 976 . 1 1 96 96 GLU C C 13 176.484 0.4 . 1 . . . . 96 GLU CO . 6624 1 977 . 1 1 97 97 GLU H H 1 8.755 0.02 . 1 . . . . 97 GLU HN . 6624 1 978 . 1 1 97 97 GLU HA H 1 4.307 0.02 . 1 . . . . 97 GLU HA . 6624 1 979 . 1 1 97 97 GLU HB2 H 1 1.934 0.02 . 2 . . . . 97 GLU HB1 . 6624 1 980 . 1 1 97 97 GLU HB3 H 1 2.023 0.02 . 2 . . . . 97 GLU HB2 . 6624 1 981 . 1 1 97 97 GLU HG2 H 1 2.245 0.02 . 1 . . . . 97 GLU HG# . 6624 1 982 . 1 1 97 97 GLU HG3 H 1 2.245 0.02 . 1 . . . . 97 GLU HG# . 6624 1 983 . 1 1 97 97 GLU C C 13 177.13 0.4 . 1 . . . . 97 GLU CO . 6624 1 984 . 1 1 97 97 GLU N N 15 123.198 0.1 . 1 . . . . 97 GLU N . 6624 1 985 . 1 1 98 98 GLY H H 1 8.09 0.02 . 1 . . . . 98 GLY HN . 6624 1 986 . 1 1 98 98 GLY HA2 H 1 3.634 0.02 . 1 . . . . 98 GLY HA1 . 6624 1 987 . 1 1 98 98 GLY HA3 H 1 4.196 0.02 . 1 . . . . 98 GLY HA2 . 6624 1 988 . 1 1 98 98 GLY C C 13 173.181 0.4 . 1 . . . . 98 GLY CO . 6624 1 989 . 1 1 98 98 GLY CA C 13 45.641 0.4 . 1 . . . . 98 GLY CA . 6624 1 990 . 1 1 98 98 GLY N N 15 106.451 0.1 . 1 . . . . 98 GLY N . 6624 1 991 . 1 1 99 99 TYR H H 1 7.302 0.02 . 1 . . . . 99 TYR HN . 6624 1 992 . 1 1 99 99 TYR HA H 1 5.073 0.02 . 1 . . . . 99 TYR HA . 6624 1 993 . 1 1 99 99 TYR HB2 H 1 2.41 0.02 . 1 . . . . 99 TYR HB# . 6624 1 994 . 1 1 99 99 TYR HB3 H 1 2.41 0.02 . 1 . . . . 99 TYR HB# . 6624 1 995 . 1 1 99 99 TYR HD1 H 1 6.644 0.02 . 1 . . . . 99 TYR HD# . 6624 1 996 . 1 1 99 99 TYR HD2 H 1 6.644 0.02 . 1 . . . . 99 TYR HD# . 6624 1 997 . 1 1 99 99 TYR CA C 13 55.999 0.4 . 1 . . . . 99 TYR CA . 6624 1 998 . 1 1 99 99 TYR CB C 13 40.173 0.4 . 1 . . . . 99 TYR CB . 6624 1 999 . 1 1 99 99 TYR N N 15 116.962 0.1 . 1 . . . . 99 TYR N . 6624 1 1000 . 1 1 100 100 MET HA H 1 4.432 0.02 . 1 . . . . 100 MET HA . 6624 1 1001 . 1 1 100 100 MET HB2 H 1 1.461 0.02 . 2 . . . . 100 MET HB1 . 6624 1 1002 . 1 1 100 100 MET HB3 H 1 1.682 0.02 . 2 . . . . 100 MET HB2 . 6624 1 1003 . 1 1 100 100 MET HG2 H 1 2.322 0.02 . 1 . . . . 100 MET HG# . 6624 1 1004 . 1 1 100 100 MET HG3 H 1 2.322 0.02 . 1 . . . . 100 MET HG# . 6624 1 1005 . 1 1 100 100 MET HE1 H 1 1.927 0.02 . 1 . . . . 100 MET HE# . 6624 1 1006 . 1 1 100 100 MET HE2 H 1 1.927 0.02 . 1 . . . . 100 MET HE# . 6624 1 1007 . 1 1 100 100 MET HE3 H 1 1.927 0.02 . 1 . . . . 100 MET HE# . 6624 1 1008 . 1 1 100 100 MET CA C 13 53.56 0.4 . 1 . . . . 100 MET CA . 6624 1 1009 . 1 1 100 100 MET CB C 13 34.322 0.4 . 1 . . . . 100 MET CB . 6624 1 1010 . 1 1 100 100 MET CG C 13 31.935 0.4 . 1 . . . . 100 MET CG . 6624 1 1011 . 1 1 100 100 MET CE C 13 16.941 0.4 . 1 . . . . 100 MET CE . 6624 1 1012 . 1 1 102 102 ARG HA H 1 4.639 0.02 . 1 . . . . 102 ARG HA . 6624 1 1013 . 1 1 102 102 ARG HB2 H 1 1.514 0.02 . 2 . . . . 102 ARG HB1 . 6624 1 1014 . 1 1 102 102 ARG HB3 H 1 1.644 0.02 . 2 . . . . 102 ARG HB2 . 6624 1 1015 . 1 1 102 102 ARG HG2 H 1 1.136 0.02 . 2 . . . . 102 ARG HG1 . 6624 1 1016 . 1 1 102 102 ARG HG3 H 1 1.332 0.02 . 2 . . . . 102 ARG HG2 . 6624 1 1017 . 1 1 102 102 ARG C C 13 173.784 0.4 . 1 . . . . 102 ARG CO . 6624 1 1018 . 1 1 102 102 ARG CA C 13 55.326 0.4 . 1 . . . . 102 ARG CA . 6624 1 1019 . 1 1 102 102 ARG CB C 13 34.355 0.4 . 1 . . . . 102 ARG CB . 6624 1 1020 . 1 1 102 102 ARG CG C 13 26.573 0.4 . 1 . . . . 102 ARG CG . 6624 1 1021 . 1 1 103 103 ILE H H 1 9.169 0.02 . 1 . . . . 103 ILE HN . 6624 1 1022 . 1 1 103 103 ILE HA H 1 5.126 0.02 . 1 . . . . 103 ILE HA . 6624 1 1023 . 1 1 103 103 ILE HB H 1 2.211 0.02 . 1 . . . . 103 ILE HB . 6624 1 1024 . 1 1 103 103 ILE HG12 H 1 1.78 0.02 . 1 . . . . 103 ILE HG12 . 6624 1 1025 . 1 1 103 103 ILE HG21 H 1 0.87 0.02 . 1 . . . . 103 ILE HG2# . 6624 1 1026 . 1 1 103 103 ILE HG22 H 1 0.87 0.02 . 1 . . . . 103 ILE HG2# . 6624 1 1027 . 1 1 103 103 ILE HG23 H 1 0.87 0.02 . 1 . . . . 103 ILE HG2# . 6624 1 1028 . 1 1 103 103 ILE HD11 H 1 0.813 0.02 . 1 . . . . 103 ILE HD1# . 6624 1 1029 . 1 1 103 103 ILE HD12 H 1 0.813 0.02 . 1 . . . . 103 ILE HD1# . 6624 1 1030 . 1 1 103 103 ILE HD13 H 1 0.813 0.02 . 1 . . . . 103 ILE HD1# . 6624 1 1031 . 1 1 103 103 ILE C C 13 175.06 0.4 . 1 . . . . 103 ILE CO . 6624 1 1032 . 1 1 103 103 ILE CA C 13 59.775 0.4 . 1 . . . . 103 ILE CA . 6624 1 1033 . 1 1 103 103 ILE CB C 13 38.27 0.4 . 1 . . . . 103 ILE CB . 6624 1 1034 . 1 1 103 103 ILE CG1 C 13 27.958 0.4 . 1 . . . . 103 ILE CG1 . 6624 1 1035 . 1 1 103 103 ILE CG2 C 13 18.982 0.4 . 1 . . . . 103 ILE CG2 . 6624 1 1036 . 1 1 103 103 ILE CD1 C 13 11.984 0.4 . 1 . . . . 103 ILE CD1 . 6624 1 1037 . 1 1 103 103 ILE N N 15 121.679 0.1 . 1 . . . . 103 ILE N . 6624 1 1038 . 1 1 104 104 VAL H H 1 9.338 0.02 . 1 . . . . 104 VAL HN . 6624 1 1039 . 1 1 104 104 VAL HA H 1 4.841 0.02 . 1 . . . . 104 VAL HA . 6624 1 1040 . 1 1 104 104 VAL HB H 1 1.756 0.02 . 1 . . . . 104 VAL HB . 6624 1 1041 . 1 1 104 104 VAL HG11 H 1 0.754 0.02 . 2 . . . . 104 VAL HG1# . 6624 1 1042 . 1 1 104 104 VAL HG12 H 1 0.754 0.02 . 2 . . . . 104 VAL HG1# . 6624 1 1043 . 1 1 104 104 VAL HG13 H 1 0.754 0.02 . 2 . . . . 104 VAL HG1# . 6624 1 1044 . 1 1 104 104 VAL HG21 H 1 0.816 0.02 . 2 . . . . 104 VAL HG2# . 6624 1 1045 . 1 1 104 104 VAL HG22 H 1 0.816 0.02 . 2 . . . . 104 VAL HG2# . 6624 1 1046 . 1 1 104 104 VAL HG23 H 1 0.816 0.02 . 2 . . . . 104 VAL HG2# . 6624 1 1047 . 1 1 104 104 VAL C C 13 174.333 0.4 . 1 . . . . 104 VAL CO . 6624 1 1048 . 1 1 104 104 VAL CA C 13 59.86 0.4 . 1 . . . . 104 VAL CA . 6624 1 1049 . 1 1 104 104 VAL CB C 13 36.115 0.4 . 1 . . . . 104 VAL CB . 6624 1 1050 . 1 1 104 104 VAL CG1 C 13 21.289 0.4 . 2 . . . . 104 VAL CG1 . 6624 1 1051 . 1 1 104 104 VAL CG2 C 13 21.214 0.4 . 2 . . . . 104 VAL CG2 . 6624 1 1052 . 1 1 104 104 VAL N N 15 126.417 0.1 . 1 . . . . 104 VAL N . 6624 1 1053 . 1 1 105 105 LEU H H 1 8.671 0.02 . 1 . . . . 105 LEU HN . 6624 1 1054 . 1 1 105 105 LEU HA H 1 4.499 0.02 . 1 . . . . 105 LEU HA . 6624 1 1055 . 1 1 105 105 LEU HB2 H 1 0.859 0.02 . 2 . . . . 105 LEU HB1 . 6624 1 1056 . 1 1 105 105 LEU HB3 H 1 1.808 0.02 . 2 . . . . 105 LEU HB2 . 6624 1 1057 . 1 1 105 105 LEU HG H 1 1.414 0.02 . 1 . . . . 105 LEU HG . 6624 1 1058 . 1 1 105 105 LEU HD11 H 1 0.678 0.02 . 2 . . . . 105 LEU HD1# . 6624 1 1059 . 1 1 105 105 LEU HD12 H 1 0.678 0.02 . 2 . . . . 105 LEU HD1# . 6624 1 1060 . 1 1 105 105 LEU HD13 H 1 0.678 0.02 . 2 . . . . 105 LEU HD1# . 6624 1 1061 . 1 1 105 105 LEU HD21 H 1 0.645 0.02 . 2 . . . . 105 LEU HD2# . 6624 1 1062 . 1 1 105 105 LEU HD22 H 1 0.645 0.02 . 2 . . . . 105 LEU HD2# . 6624 1 1063 . 1 1 105 105 LEU HD23 H 1 0.645 0.02 . 2 . . . . 105 LEU HD2# . 6624 1 1064 . 1 1 105 105 LEU C C 13 174.719 0.4 . 1 . . . . 105 LEU CO . 6624 1 1065 . 1 1 105 105 LEU CA C 13 54.792 0.4 . 1 . . . . 105 LEU CA . 6624 1 1066 . 1 1 105 105 LEU CB C 13 43.156 0.4 . 1 . . . . 105 LEU CB . 6624 1 1067 . 1 1 105 105 LEU CD1 C 13 24.835 0.4 . 2 . . . . 105 LEU CD1 . 6624 1 1068 . 1 1 105 105 LEU CD2 C 13 27.019 0.4 . 2 . . . . 105 LEU CD2 . 6624 1 1069 . 1 1 105 105 LEU N N 15 127.671 0.1 . 1 . . . . 105 LEU N . 6624 1 1070 . 1 1 106 106 LYS H H 1 8.889 0.02 . 1 . . . . 106 LYS HN . 6624 1 1071 . 1 1 106 106 LYS HA H 1 4.607 0.02 . 1 . . . . 106 LYS HA . 6624 1 1072 . 1 1 106 106 LYS HB2 H 1 0.336 0.02 . 2 . . . . 106 LYS HB1 . 6624 1 1073 . 1 1 106 106 LYS HB3 H 1 1.161 0.02 . 2 . . . . 106 LYS HB2 . 6624 1 1074 . 1 1 106 106 LYS HG2 H 1 1.074 0.02 . 1 . . . . 106 LYS HG# . 6624 1 1075 . 1 1 106 106 LYS HG3 H 1 1.074 0.02 . 1 . . . . 106 LYS HG# . 6624 1 1076 . 1 1 106 106 LYS HD2 H 1 1.59 0.02 . 1 . . . . 106 LYS HD# . 6624 1 1077 . 1 1 106 106 LYS HD3 H 1 1.59 0.02 . 1 . . . . 106 LYS HD# . 6624 1 1078 . 1 1 106 106 LYS HE2 H 1 2.737 0.02 . 1 . . . . 106 LYS HE1 . 6624 1 1079 . 1 1 106 106 LYS HE3 H 1 2.942 0.02 . 1 . . . . 106 LYS HE2 . 6624 1 1080 . 1 1 106 106 LYS C C 13 174.868 0.4 . 1 . . . . 106 LYS CO . 6624 1 1081 . 1 1 106 106 LYS CA C 13 53.123 0.4 . 1 . . . . 106 LYS CA . 6624 1 1082 . 1 1 106 106 LYS CB C 13 35.169 0.4 . 1 . . . . 106 LYS CB . 6624 1 1083 . 1 1 106 106 LYS CG C 13 24.371 0.4 . 1 . . . . 106 LYS CG . 6624 1 1084 . 1 1 106 106 LYS CD C 13 35.169 0.4 . 1 . . . . 106 LYS CD . 6624 1 1085 . 1 1 106 106 LYS CE C 13 42.103 0.4 . 1 . . . . 106 LYS CE . 6624 1 1086 . 1 1 106 106 LYS N N 15 128.476 0.1 . 1 . . . . 106 LYS N . 6624 1 1087 . 1 1 107 107 THR H H 1 7.879 0.02 . 1 . . . . 107 THR HN . 6624 1 1088 . 1 1 107 107 THR HA H 1 4.664 0.02 . 1 . . . . 107 THR HA . 6624 1 1089 . 1 1 107 107 THR HB H 1 3.962 0.02 . 1 . . . . 107 THR HB . 6624 1 1090 . 1 1 107 107 THR HG21 H 1 0.868 0.02 . 1 . . . . 107 THR HG2# . 6624 1 1091 . 1 1 107 107 THR HG22 H 1 0.868 0.02 . 1 . . . . 107 THR HG2# . 6624 1 1092 . 1 1 107 107 THR HG23 H 1 0.868 0.02 . 1 . . . . 107 THR HG2# . 6624 1 1093 . 1 1 107 107 THR C C 13 174.763 0.4 . 1 . . . . 107 THR CO . 6624 1 1094 . 1 1 107 107 THR CA C 13 60.061 0.4 . 1 . . . . 107 THR CA . 6624 1 1095 . 1 1 107 107 THR CB C 13 70.413 0.4 . 1 . . . . 107 THR CB . 6624 1 1096 . 1 1 107 107 THR CG2 C 13 21.472 0.4 . 1 . . . . 107 THR CG2 . 6624 1 1097 . 1 1 107 107 THR N N 15 111.005 0.1 . 1 . . . . 107 THR N . 6624 1 1098 . 1 1 108 108 GLN H H 1 8.324 0.02 . 1 . . . . 108 GLN HN . 6624 1 1099 . 1 1 108 108 GLN HA H 1 4.403 0.02 . 1 . . . . 108 GLN HA . 6624 1 1100 . 1 1 108 108 GLN HB2 H 1 1.919 0.02 . 2 . . . . 108 GLN HB1 . 6624 1 1101 . 1 1 108 108 GLN HB3 H 1 2.101 0.02 . 2 . . . . 108 GLN HB2 . 6624 1 1102 . 1 1 108 108 GLN HG2 H 1 2.301 0.02 . 2 . . . . 108 GLN HG1 . 6624 1 1103 . 1 1 108 108 GLN HG3 H 1 2.339 0.02 . 2 . . . . 108 GLN HG2 . 6624 1 1104 . 1 1 108 108 GLN C C 13 175.685 0.4 . 1 . . . . 108 GLN CO . 6624 1 1105 . 1 1 108 108 GLN CA C 13 56.265 0.4 . 1 . . . . 108 GLN CA . 6624 1 1106 . 1 1 108 108 GLN CB C 13 29.912 0.4 . 1 . . . . 108 GLN CB . 6624 1 1107 . 1 1 108 108 GLN CG C 13 33.361 0.4 . 1 . . . . 108 GLN CG . 6624 1 1108 . 1 1 108 108 GLN N N 15 121.847 0.1 . 1 . . . . 108 GLN N . 6624 1 1109 . 1 1 109 109 GLN H H 1 8.444 0.02 . 1 . . . . 109 GLN HN . 6624 1 1110 . 1 1 109 109 GLN HA H 1 4.344 0.02 . 1 . . . . 109 GLN HA . 6624 1 1111 . 1 1 109 109 GLN HB2 H 1 1.924 0.02 . 2 . . . . 109 GLN HB1 . 6624 1 1112 . 1 1 109 109 GLN HB3 H 1 2.069 0.02 . 2 . . . . 109 GLN HB2 . 6624 1 1113 . 1 1 109 109 GLN HG2 H 1 2.299 0.02 . 1 . . . . 109 GLN HG# . 6624 1 1114 . 1 1 109 109 GLN HG3 H 1 2.299 0.02 . 1 . . . . 109 GLN HG# . 6624 1 1115 . 1 1 109 109 GLN C C 13 174.987 0.4 . 1 . . . . 109 GLN CO . 6624 1 1116 . 1 1 109 109 GLN CA C 13 55.771 0.4 . 1 . . . . 109 GLN CA . 6624 1 1117 . 1 1 109 109 GLN CB C 13 29.964 0.4 . 1 . . . . 109 GLN CB . 6624 1 1118 . 1 1 109 109 GLN CG C 13 33.667 0.4 . 1 . . . . 109 GLN CG . 6624 1 1119 . 1 1 109 109 GLN N N 15 122.145 0.1 . 1 . . . . 109 GLN N . 6624 1 1120 . 1 1 110 110 GLU H H 1 8.089 0.02 . 1 . . . . 110 GLU HN . 6624 1 1121 . 1 1 110 110 GLU HA H 1 4.058 0.02 . 1 . . . . 110 GLU HA . 6624 1 1122 . 1 1 110 110 GLU HB2 H 1 1.675 0.02 . 2 . . . . 110 GLU HB1 . 6624 1 1123 . 1 1 110 110 GLU HB3 H 1 1.854 0.02 . 2 . . . . 110 GLU HB2 . 6624 1 1124 . 1 1 110 110 GLU HG2 H 1 2.166 0.02 . 1 . . . . 110 GLU HG# . 6624 1 1125 . 1 1 110 110 GLU HG3 H 1 2.166 0.02 . 1 . . . . 110 GLU HG# . 6624 1 1126 . 1 1 110 110 GLU CA C 13 58.172 0.4 . 1 . . . . 110 GLU CA . 6624 1 1127 . 1 1 110 110 GLU CG C 13 36.769 0.4 . 1 . . . . 110 GLU CG . 6624 1 1128 . 1 1 110 110 GLU N N 15 128.041 0.1 . 1 . . . . 110 GLU N . 6624 1 stop_ save_