################################### # 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 17693 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/2yka/ebi/ref_3.bmrb.csh' _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 HSQC 1 $sample_1 solution 17693 1 2 HNCA 1 $sample_1 solution 17693 1 3 CBCA(CO)NH 1 $sample_1 solution 17693 1 4 HNCACB 1 $sample_1 solution 17693 1 5 HNCO 1 $sample_1 solution 17693 1 6 HN(CA)CO 1 $sample_1 solution 17693 1 7 TOCSY-HSQC 1 $sample_1 solution 17693 1 8 HBHA(CO)NH 1 $sample_1 solution 17693 1 9 HCCH-TOCSY 1 $sample_1 solution 17693 1 10 CCH-TOCSY 1 $sample_1 solution 17693 1 11 NOESY-HSQC 1 $sample_1 solution 17693 1 12 'Filtered 13C-NOESY' 1 $sample_1 solution 17693 1 13 HSQC 2 $sample_2 solution 17693 1 14 HNCA 2 $sample_2 solution 17693 1 15 CBCA(CO)NH 2 $sample_2 solution 17693 1 16 HNCACB 2 $sample_2 solution 17693 1 17 HNCO 2 $sample_2 solution 17693 1 18 TOCSY-HSQC 2 $sample_2 solution 17693 1 19 HBHA(CO)NH 2 $sample_2 solution 17693 1 20 NOESY-HSQC 2 $sample_2 solution 17693 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 3 3 SER C C 13 174.403 0.10 . 1 . 1 . . 3 SER C . 17693 1 2 . 1 1 4 4 MET H H 1 8.680 0.02 . 1 . 3 . . 4 MET H . 17693 1 3 . 1 1 4 4 MET HE1 H 1 2.124 0.02 . 1 . 4 . . 4 MET HE1 . 17693 1 4 . 1 1 4 4 MET HE2 H 1 2.124 0.02 . 1 . 4 . . 4 MET HE2 . 17693 1 5 . 1 1 4 4 MET HE3 H 1 2.124 0.02 . 1 . 4 . . 4 MET HE3 . 17693 1 6 . 1 1 4 4 MET C C 13 176.441 0.10 . 1 . 6 . . 4 MET C . 17693 1 7 . 1 1 4 4 MET CE C 13 16.999 0.10 . 1 . 5 . . 4 MET CE . 17693 1 8 . 1 1 4 4 MET N N 15 122.790 0.10 . 1 . 2 . . 4 MET N . 17693 1 9 . 1 1 5 5 THR H H 1 8.244 0.02 . 1 . 8 . . 5 THR H . 17693 1 10 . 1 1 5 5 THR HA H 1 4.417 0.02 . 1 . 10 . . 5 THR HA . 17693 1 11 . 1 1 5 5 THR HB H 1 4.299 0.02 . 1 . 12 . . 5 THR HB . 17693 1 12 . 1 1 5 5 THR HG21 H 1 1.234 0.02 . 1 . 13 . . 5 THR HG21 . 17693 1 13 . 1 1 5 5 THR HG22 H 1 1.234 0.02 . 1 . 13 . . 5 THR HG22 . 17693 1 14 . 1 1 5 5 THR HG23 H 1 1.234 0.02 . 1 . 13 . . 5 THR HG23 . 17693 1 15 . 1 1 5 5 THR C C 13 175.096 0.10 . 1 . 15 . . 5 THR C . 17693 1 16 . 1 1 5 5 THR CA C 13 61.825 0.10 . 1 . 9 . . 5 THR CA . 17693 1 17 . 1 1 5 5 THR CB C 13 69.816 0.10 . 1 . 11 . . 5 THR CB . 17693 1 18 . 1 1 5 5 THR CG2 C 13 21.630 0.10 . 1 . 14 . . 5 THR CG2 . 17693 1 19 . 1 1 5 5 THR N N 15 114.602 0.10 . 1 . 7 . . 5 THR N . 17693 1 20 . 1 1 6 6 GLY H H 1 8.464 0.02 . 1 . 17 . . 6 GLY H . 17693 1 21 . 1 1 6 6 GLY HA2 H 1 4.033 0.02 . 1 . 18 . . 6 GLY HA2 . 17693 1 22 . 1 1 6 6 GLY N N 15 111.228 0.10 . 1 . 16 . . 6 GLY N . 17693 1 23 . 1 1 7 7 GLY HA2 H 1 4.002 0.02 . 1 . 19 . . 7 GLY HA2 . 17693 1 24 . 1 1 7 7 GLY C C 13 174.291 0.10 . 1 . 20 . . 7 GLY C . 17693 1 25 . 1 1 8 8 GLN H H 1 8.330 0.02 . 1 . 22 . . 8 GLN H . 17693 1 26 . 1 1 8 8 GLN HA H 1 4.354 0.02 . 1 . 24 . . 8 GLN HA . 17693 1 27 . 1 1 8 8 GLN HB2 H 1 2.019 0.02 . 2 . 26 . . 8 GLN HB2 . 17693 1 28 . 1 1 8 8 GLN HB3 H 1 2.125 0.02 . 2 . 27 . . 8 GLN HB3 . 17693 1 29 . 1 1 8 8 GLN HG2 H 1 2.378 0.02 . 1 . 29 . . 8 GLN HG2 . 17693 1 30 . 1 1 8 8 GLN HE21 H 1 6.879 0.02 . 1 . 31 . . 8 GLN HE21 . 17693 1 31 . 1 1 8 8 GLN HE22 H 1 7.546 0.02 . 1 . 32 . . 8 GLN HE22 . 17693 1 32 . 1 1 8 8 GLN C C 13 176.052 0.10 . 1 . 33 . . 8 GLN C . 17693 1 33 . 1 1 8 8 GLN CA C 13 56.109 0.10 . 1 . 23 . . 8 GLN CA . 17693 1 34 . 1 1 8 8 GLN CB C 13 29.396 0.10 . 1 . 25 . . 8 GLN CB . 17693 1 35 . 1 1 8 8 GLN CG C 13 33.622 0.10 . 1 . 28 . . 8 GLN CG . 17693 1 36 . 1 1 8 8 GLN N N 15 119.737 0.10 . 1 . 21 . . 8 GLN N . 17693 1 37 . 1 1 8 8 GLN NE2 N 15 112.231 0.10 . 1 . 30 . . 8 GLN NE2 . 17693 1 38 . 1 1 9 9 GLN H H 1 8.510 0.02 . 1 . 35 . . 9 GLN H . 17693 1 39 . 1 1 9 9 GLN HA H 1 4.342 0.02 . 1 . 36 . . 9 GLN HA . 17693 1 40 . 1 1 9 9 GLN HG2 H 1 2.395 0.02 . 1 . 37 . . 9 GLN HG2 . 17693 1 41 . 1 1 9 9 GLN HE21 H 1 6.877 0.02 . 1 . 39 . . 9 GLN HE21 . 17693 1 42 . 1 1 9 9 GLN HE22 H 1 7.518 0.02 . 1 . 40 . . 9 GLN HE22 . 17693 1 43 . 1 1 9 9 GLN C C 13 175.968 0.10 . 1 . 41 . . 9 GLN C . 17693 1 44 . 1 1 9 9 GLN N N 15 121.344 0.10 . 1 . 34 . . 9 GLN N . 17693 1 45 . 1 1 9 9 GLN NE2 N 15 112.319 0.10 . 1 . 38 . . 9 GLN NE2 . 17693 1 46 . 1 1 10 10 MET H H 1 8.434 0.02 . 1 . 43 . . 10 MET H . 17693 1 47 . 1 1 10 10 MET HA H 1 4.490 0.02 . 1 . 45 . . 10 MET HA . 17693 1 48 . 1 1 10 10 MET HB2 H 1 2.041 0.02 . 2 . 46 . . 10 MET HB2 . 17693 1 49 . 1 1 10 10 MET HB3 H 1 2.117 0.02 . 2 . 47 . . 10 MET HB3 . 17693 1 50 . 1 1 10 10 MET C C 13 176.653 0.10 . 1 . 48 . . 10 MET C . 17693 1 51 . 1 1 10 10 MET CA C 13 55.724 0.10 . 1 . 44 . . 10 MET CA . 17693 1 52 . 1 1 10 10 MET N N 15 121.487 0.10 . 1 . 42 . . 10 MET N . 17693 1 53 . 1 1 11 11 GLY H H 1 8.440 0.02 . 1 . 50 . . 11 GLY H . 17693 1 54 . 1 1 11 11 GLY HA2 H 1 3.984 0.02 . 2 . 51 . . 11 GLY HA2 . 17693 1 55 . 1 1 11 11 GLY HA3 H 1 3.985 0.02 . 2 . 52 . . 11 GLY HA3 . 17693 1 56 . 1 1 11 11 GLY C C 13 173.770 0.10 . 1 . 53 . . 11 GLY C . 17693 1 57 . 1 1 11 11 GLY N N 15 109.906 0.10 . 1 . 49 . . 11 GLY N . 17693 1 58 . 1 1 12 12 ARG H H 1 8.134 0.02 . 1 . 55 . . 12 ARG H . 17693 1 59 . 1 1 12 12 ARG HA H 1 4.388 0.02 . 1 . 57 . . 12 ARG HA . 17693 1 60 . 1 1 12 12 ARG HB2 H 1 1.838 0.02 . 2 . 59 . . 12 ARG HB2 . 17693 1 61 . 1 1 12 12 ARG HB3 H 1 1.746 0.02 . 2 . 60 . . 12 ARG HB3 . 17693 1 62 . 1 1 12 12 ARG HG2 H 1 1.605 0.02 . 2 . 62 . . 12 ARG HG2 . 17693 1 63 . 1 1 12 12 ARG HG3 H 1 1.599 0.02 . 2 . 63 . . 12 ARG HG3 . 17693 1 64 . 1 1 12 12 ARG HD2 H 1 3.145 0.02 . 2 . 64 . . 12 ARG HD2 . 17693 1 65 . 1 1 12 12 ARG HD3 H 1 3.125 0.02 . 2 . 65 . . 12 ARG HD3 . 17693 1 66 . 1 1 12 12 ARG C C 13 175.670 0.10 . 1 . 66 . . 12 ARG C . 17693 1 67 . 1 1 12 12 ARG CA C 13 55.714 0.10 . 1 . 56 . . 12 ARG CA . 17693 1 68 . 1 1 12 12 ARG CB C 13 31.244 0.10 . 1 . 58 . . 12 ARG CB . 17693 1 69 . 1 1 12 12 ARG CG C 13 27.247 0.10 . 1 . 61 . . 12 ARG CG . 17693 1 70 . 1 1 12 12 ARG N N 15 120.024 0.10 . 1 . 54 . . 12 ARG N . 17693 1 71 . 1 1 13 13 ASP H H 1 8.458 0.02 . 1 . 68 . . 13 ASP H . 17693 1 72 . 1 1 13 13 ASP HA H 1 4.888 0.02 . 1 . 70 . . 13 ASP HA . 17693 1 73 . 1 1 13 13 ASP HB2 H 1 2.795 0.02 . 2 . 72 . . 13 ASP HB2 . 17693 1 74 . 1 1 13 13 ASP HB3 H 1 2.594 0.02 . 2 . 73 . . 13 ASP HB3 . 17693 1 75 . 1 1 13 13 ASP CA C 13 52.392 0.10 . 1 . 69 . . 13 ASP CA . 17693 1 76 . 1 1 13 13 ASP CB C 13 41.155 0.10 . 1 . 71 . . 13 ASP CB . 17693 1 77 . 1 1 13 13 ASP N N 15 123.010 0.10 . 1 . 67 . . 13 ASP N . 17693 1 78 . 1 1 14 14 PRO HA H 1 4.279 0.02 . 1 . 76 . . 14 PRO HA . 17693 1 79 . 1 1 14 14 PRO HB2 H 1 2.254 0.02 . 2 . 78 . . 14 PRO HB2 . 17693 1 80 . 1 1 14 14 PRO HB3 H 1 1.953 0.02 . 2 . 79 . . 14 PRO HB3 . 17693 1 81 . 1 1 14 14 PRO HG2 H 1 2.002 0.02 . 2 . 81 . . 14 PRO HG2 . 17693 1 82 . 1 1 14 14 PRO HG3 H 1 1.982 0.02 . 2 . 82 . . 14 PRO HG3 . 17693 1 83 . 1 1 14 14 PRO HD2 H 1 3.827 0.02 . 2 . 83 . . 14 PRO HD2 . 17693 1 84 . 1 1 14 14 PRO HD3 H 1 3.885 0.02 . 2 . 84 . . 14 PRO HD3 . 17693 1 85 . 1 1 14 14 PRO C C 13 177.094 0.10 . 1 . 85 . . 14 PRO C . 17693 1 86 . 1 1 14 14 PRO CA C 13 63.810 0.10 . 1 . 75 . . 14 PRO CA . 17693 1 87 . 1 1 14 14 PRO CB C 13 32.189 0.10 . 1 . 77 . . 14 PRO CB . 17693 1 88 . 1 1 14 14 PRO CG C 13 27.333 0.10 . 1 . 80 . . 14 PRO CG . 17693 1 89 . 1 1 14 14 PRO CD C 13 50.845 0.10 . 1 . 74 . . 14 PRO CD . 17693 1 90 . 1 1 15 15 ASP H H 1 8.361 0.02 . 1 . 87 . . 15 ASP H . 17693 1 91 . 1 1 15 15 ASP HA H 1 4.596 0.02 . 1 . 89 . . 15 ASP HA . 17693 1 92 . 1 1 15 15 ASP HB2 H 1 2.652 0.02 . 2 . 91 . . 15 ASP HB2 . 17693 1 93 . 1 1 15 15 ASP HB3 H 1 2.649 0.02 . 2 . 92 . . 15 ASP HB3 . 17693 1 94 . 1 1 15 15 ASP C C 13 176.744 0.10 . 1 . 93 . . 15 ASP C . 17693 1 95 . 1 1 15 15 ASP CA C 13 55.065 0.10 . 1 . 88 . . 15 ASP CA . 17693 1 96 . 1 1 15 15 ASP CB C 13 41.130 0.10 . 1 . 90 . . 15 ASP CB . 17693 1 97 . 1 1 15 15 ASP N N 15 118.764 0.10 . 1 . 86 . . 15 ASP N . 17693 1 98 . 1 1 16 16 LYS H H 1 7.906 0.02 . 1 . 95 . . 16 LYS H . 17693 1 99 . 1 1 16 16 LYS HA H 1 4.228 0.02 . 1 . 97 . . 16 LYS HA . 17693 1 100 . 1 1 16 16 LYS HB2 H 1 1.746 0.02 . 2 . 99 . . 16 LYS HB2 . 17693 1 101 . 1 1 16 16 LYS HB3 H 1 1.713 0.02 . 2 . 100 . . 16 LYS HB3 . 17693 1 102 . 1 1 16 16 LYS HG2 H 1 1.277 0.02 . 2 . 102 . . 16 LYS HG2 . 17693 1 103 . 1 1 16 16 LYS HG3 H 1 1.254 0.02 . 2 . 103 . . 16 LYS HG3 . 17693 1 104 . 1 1 16 16 LYS HD2 H 1 1.618 0.02 . 2 . 105 . . 16 LYS HD2 . 17693 1 105 . 1 1 16 16 LYS HD3 H 1 1.679 0.02 . 2 . 106 . . 16 LYS HD3 . 17693 1 106 . 1 1 16 16 LYS HE2 H 1 2.964 0.02 . 2 . 108 . . 16 LYS HE2 . 17693 1 107 . 1 1 16 16 LYS HE3 H 1 2.954 0.02 . 2 . 109 . . 16 LYS HE3 . 17693 1 108 . 1 1 16 16 LYS C C 13 176.502 0.10 . 1 . 110 . . 16 LYS C . 17693 1 109 . 1 1 16 16 LYS CA C 13 56.645 0.10 . 1 . 96 . . 16 LYS CA . 17693 1 110 . 1 1 16 16 LYS CB C 13 32.863 0.10 . 1 . 98 . . 16 LYS CB . 17693 1 111 . 1 1 16 16 LYS CG C 13 24.558 0.10 . 1 . 101 . . 16 LYS CG . 17693 1 112 . 1 1 16 16 LYS CD C 13 28.981 0.10 . 1 . 104 . . 16 LYS CD . 17693 1 113 . 1 1 16 16 LYS CE C 13 42.277 0.10 . 1 . 107 . . 16 LYS CE . 17693 1 114 . 1 1 16 16 LYS N N 15 120.220 0.10 . 1 . 94 . . 16 LYS N . 17693 1 115 . 1 1 17 17 TRP H H 1 7.949 0.02 . 1 . 112 . . 17 TRP H . 17693 1 116 . 1 1 17 17 TRP HA H 1 4.672 0.02 . 1 . 114 . . 17 TRP HA . 17693 1 117 . 1 1 17 17 TRP HB2 H 1 3.280 0.02 . 2 . 116 . . 17 TRP HB2 . 17693 1 118 . 1 1 17 17 TRP HB3 H 1 3.298 0.02 . 2 . 117 . . 17 TRP HB3 . 17693 1 119 . 1 1 17 17 TRP HD1 H 1 7.283 0.02 . 1 . 121 . . 17 TRP HD1 . 17693 1 120 . 1 1 17 17 TRP HE1 H 1 10.171 0.02 . 1 . 125 . . 17 TRP HE1 . 17693 1 121 . 1 1 17 17 TRP HE3 H 1 7.614 0.02 . 1 . 122 . . 17 TRP HE3 . 17693 1 122 . 1 1 17 17 TRP HZ2 H 1 7.488 0.02 . 1 . 128 . . 17 TRP HZ2 . 17693 1 123 . 1 1 17 17 TRP HZ3 H 1 7.137 0.02 . 1 . 126 . . 17 TRP HZ3 . 17693 1 124 . 1 1 17 17 TRP HH2 H 1 7.225 0.02 . 1 . 129 . . 17 TRP HH2 . 17693 1 125 . 1 1 17 17 TRP C C 13 176.279 0.10 . 1 . 130 . . 17 TRP C . 17693 1 126 . 1 1 17 17 TRP CA C 13 57.323 0.10 . 1 . 113 . . 17 TRP CA . 17693 1 127 . 1 1 17 17 TRP CB C 13 29.204 0.10 . 1 . 115 . . 17 TRP CB . 17693 1 128 . 1 1 17 17 TRP CD1 C 13 126.938 0.10 . 1 . 118 . . 17 TRP CD1 . 17693 1 129 . 1 1 17 17 TRP CE3 C 13 121.535 0.10 . 1 . 119 . . 17 TRP CE3 . 17693 1 130 . 1 1 17 17 TRP CZ2 C 13 114.980 0.10 . 1 . 124 . . 17 TRP CZ2 . 17693 1 131 . 1 1 17 17 TRP CZ3 C 13 120.735 0.10 . 1 . 123 . . 17 TRP CZ3 . 17693 1 132 . 1 1 17 17 TRP CH2 C 13 124.659 0.10 . 1 . 127 . . 17 TRP CH2 . 17693 1 133 . 1 1 17 17 TRP N N 15 120.338 0.10 . 1 . 111 . . 17 TRP N . 17693 1 134 . 1 1 17 17 TRP NE1 N 15 129.329 0.10 . 1 . 120 . . 17 TRP NE1 . 17693 1 135 . 1 1 18 18 GLN H H 1 8.020 0.02 . 1 . 132 . . 18 GLN H . 17693 1 136 . 1 1 18 18 GLN HA H 1 4.165 0.02 . 1 . 134 . . 18 GLN HA . 17693 1 137 . 1 1 18 18 GLN HB2 H 1 1.842 0.02 . 2 . 136 . . 18 GLN HB2 . 17693 1 138 . 1 1 18 18 GLN HB3 H 1 1.968 0.02 . 2 . 137 . . 18 GLN HB3 . 17693 1 139 . 1 1 18 18 GLN HG2 H 1 2.111 0.02 . 2 . 138 . . 18 GLN HG2 . 17693 1 140 . 1 1 18 18 GLN HG3 H 1 2.108 0.02 . 2 . 139 . . 18 GLN HG3 . 17693 1 141 . 1 1 18 18 GLN HE21 H 1 6.818 0.02 . 1 . 141 . . 18 GLN HE21 . 17693 1 142 . 1 1 18 18 GLN HE22 H 1 7.437 0.02 . 1 . 142 . . 18 GLN HE22 . 17693 1 143 . 1 1 18 18 GLN C C 13 175.783 0.10 . 1 . 143 . . 18 GLN C . 17693 1 144 . 1 1 18 18 GLN CA C 13 56.343 0.10 . 1 . 133 . . 18 GLN CA . 17693 1 145 . 1 1 18 18 GLN CB C 13 28.931 0.10 . 1 . 135 . . 18 GLN CB . 17693 1 146 . 1 1 18 18 GLN N N 15 120.811 0.10 . 1 . 131 . . 18 GLN N . 17693 1 147 . 1 1 18 18 GLN NE2 N 15 112.051 0.10 . 1 . 140 . . 18 GLN NE2 . 17693 1 148 . 1 1 19 19 HIS H H 1 8.209 0.02 . 1 . 145 . . 19 HIS H . 17693 1 149 . 1 1 19 19 HIS HA H 1 4.559 0.02 . 1 . 147 . . 19 HIS HA . 17693 1 150 . 1 1 19 19 HIS HB2 H 1 3.153 0.02 . 2 . 148 . . 19 HIS HB2 . 17693 1 151 . 1 1 19 19 HIS HB3 H 1 3.204 0.02 . 2 . 149 . . 19 HIS HB3 . 17693 1 152 . 1 1 19 19 HIS C C 13 174.485 0.10 . 1 . 150 . . 19 HIS C . 17693 1 153 . 1 1 19 19 HIS CA C 13 56.254 0.10 . 1 . 146 . . 19 HIS CA . 17693 1 154 . 1 1 19 19 HIS N N 15 119.007 0.10 . 1 . 144 . . 19 HIS N . 17693 1 155 . 1 1 20 20 ASP H H 1 8.414 0.02 . 1 . 152 . . 20 ASP H . 17693 1 156 . 1 1 20 20 ASP HA H 1 4.574 0.02 . 1 . 154 . . 20 ASP HA . 17693 1 157 . 1 1 20 20 ASP HB2 H 1 2.667 0.02 . 2 . 156 . . 20 ASP HB2 . 17693 1 158 . 1 1 20 20 ASP HB3 H 1 2.661 0.02 . 2 . 157 . . 20 ASP HB3 . 17693 1 159 . 1 1 20 20 ASP C C 13 176.167 0.10 . 1 . 158 . . 20 ASP C . 17693 1 160 . 1 1 20 20 ASP CA C 13 54.868 0.10 . 1 . 153 . . 20 ASP CA . 17693 1 161 . 1 1 20 20 ASP CB C 13 41.224 0.10 . 1 . 155 . . 20 ASP CB . 17693 1 162 . 1 1 20 20 ASP N N 15 120.625 0.10 . 1 . 151 . . 20 ASP N . 17693 1 163 . 1 1 21 21 LEU H H 1 8.069 0.02 . 1 . 160 . . 21 LEU H . 17693 1 164 . 1 1 21 21 LEU HA H 1 4.236 0.02 . 1 . 162 . . 21 LEU HA . 17693 1 165 . 1 1 21 21 LEU HB2 H 1 1.500 0.02 . 2 . 164 . . 21 LEU HB2 . 17693 1 166 . 1 1 21 21 LEU HB3 H 1 1.404 0.02 . 2 . 165 . . 21 LEU HB3 . 17693 1 167 . 1 1 21 21 LEU HG H 1 1.507 0.02 . 1 . 167 . . 21 LEU HG . 17693 1 168 . 1 1 21 21 LEU HD11 H 1 0.846 0.02 . 2 . 168 . . 21 LEU HD11 . 17693 1 169 . 1 1 21 21 LEU HD12 H 1 0.846 0.02 . 2 . 168 . . 21 LEU HD12 . 17693 1 170 . 1 1 21 21 LEU HD13 H 1 0.846 0.02 . 2 . 168 . . 21 LEU HD13 . 17693 1 171 . 1 1 21 21 LEU HD21 H 1 0.824 0.02 . 2 . 169 . . 21 LEU HD21 . 17693 1 172 . 1 1 21 21 LEU HD22 H 1 0.824 0.02 . 2 . 169 . . 21 LEU HD22 . 17693 1 173 . 1 1 21 21 LEU HD23 H 1 0.824 0.02 . 2 . 169 . . 21 LEU HD23 . 17693 1 174 . 1 1 21 21 LEU C C 13 177.236 0.10 . 1 . 171 . . 21 LEU C . 17693 1 175 . 1 1 21 21 LEU CA C 13 55.705 0.10 . 1 . 161 . . 21 LEU CA . 17693 1 176 . 1 1 21 21 LEU CB C 13 42.266 0.10 . 1 . 163 . . 21 LEU CB . 17693 1 177 . 1 1 21 21 LEU CG C 13 26.681 0.10 . 1 . 166 . . 21 LEU CG . 17693 1 178 . 1 1 21 21 LEU CD1 C 13 24.832 0.10 . 1 . 170 . . 21 LEU CD1 . 17693 1 179 . 1 1 21 21 LEU N N 15 121.498 0.10 . 1 . 159 . . 21 LEU N . 17693 1 180 . 1 1 22 22 PHE H H 1 8.123 0.02 . 1 . 173 . . 22 PHE H . 17693 1 181 . 1 1 22 22 PHE HA H 1 4.617 0.02 . 1 . 175 . . 22 PHE HA . 17693 1 182 . 1 1 22 22 PHE HB2 H 1 3.194 0.02 . 2 . 177 . . 22 PHE HB2 . 17693 1 183 . 1 1 22 22 PHE HB3 H 1 3.026 0.02 . 2 . 178 . . 22 PHE HB3 . 17693 1 184 . 1 1 22 22 PHE HD1 H 1 7.263 0.02 . 3 . 180 . . 22 PHE HD1 . 17693 1 185 . 1 1 22 22 PHE HD2 H 1 7.275 0.02 . 3 . 184 . . 22 PHE HD2 . 17693 1 186 . 1 1 22 22 PHE HE1 H 1 7.346 0.02 . 3 . 182 . . 22 PHE HE1 . 17693 1 187 . 1 1 22 22 PHE HE2 H 1 7.350 0.02 . 3 . 183 . . 22 PHE HE2 . 17693 1 188 . 1 1 22 22 PHE C C 13 175.525 0.10 . 1 . 185 . . 22 PHE C . 17693 1 189 . 1 1 22 22 PHE CA C 13 57.817 0.10 . 1 . 174 . . 22 PHE CA . 17693 1 190 . 1 1 22 22 PHE CB C 13 39.285 0.10 . 1 . 176 . . 22 PHE CB . 17693 1 191 . 1 1 22 22 PHE CD1 C 13 132.060 0.10 . 3 . 179 . . 22 PHE CD1 . 17693 1 192 . 1 1 22 22 PHE CE1 C 13 131.521 0.10 . 3 . 181 . . 22 PHE CE1 . 17693 1 193 . 1 1 22 22 PHE N N 15 119.494 0.10 . 1 . 172 . . 22 PHE N . 17693 1 194 . 1 1 23 23 ASP H H 1 8.204 0.02 . 1 . 187 . . 23 ASP H . 17693 1 195 . 1 1 23 23 ASP HA H 1 4.662 0.02 . 1 . 189 . . 23 ASP HA . 17693 1 196 . 1 1 23 23 ASP HB2 H 1 2.678 0.02 . 2 . 191 . . 23 ASP HB2 . 17693 1 197 . 1 1 23 23 ASP HB3 H 1 2.743 0.02 . 2 . 192 . . 23 ASP HB3 . 17693 1 198 . 1 1 23 23 ASP C C 13 176.276 0.10 . 1 . 193 . . 23 ASP C . 17693 1 199 . 1 1 23 23 ASP CA C 13 54.243 0.10 . 1 . 188 . . 23 ASP CA . 17693 1 200 . 1 1 23 23 ASP CB C 13 41.562 0.10 . 1 . 190 . . 23 ASP CB . 17693 1 201 . 1 1 23 23 ASP N N 15 121.761 0.10 . 1 . 186 . . 23 ASP N . 17693 1 202 . 1 1 24 24 SER H H 1 8.338 0.02 . 1 . 195 . . 24 SER H . 17693 1 203 . 1 1 24 24 SER HA H 1 4.409 0.02 . 1 . 197 . . 24 SER HA . 17693 1 204 . 1 1 24 24 SER HB2 H 1 4.014 0.02 . 2 . 199 . . 24 SER HB2 . 17693 1 205 . 1 1 24 24 SER HB3 H 1 3.927 0.02 . 2 . 200 . . 24 SER HB3 . 17693 1 206 . 1 1 24 24 SER C C 13 175.365 0.10 . 1 . 201 . . 24 SER C . 17693 1 207 . 1 1 24 24 SER CA C 13 58.977 0.10 . 1 . 196 . . 24 SER CA . 17693 1 208 . 1 1 24 24 SER CB C 13 63.820 0.10 . 1 . 198 . . 24 SER CB . 17693 1 209 . 1 1 24 24 SER N N 15 116.880 0.10 . 1 . 194 . . 24 SER N . 17693 1 210 . 1 1 25 25 GLY H H 1 8.546 0.02 . 1 . 203 . . 25 GLY H . 17693 1 211 . 1 1 25 25 GLY HA2 H 1 4.019 0.02 . 2 . 205 . . 25 GLY HA2 . 17693 1 212 . 1 1 25 25 GLY HA3 H 1 4.037 0.02 . 2 . 206 . . 25 GLY HA3 . 17693 1 213 . 1 1 25 25 GLY C C 13 174.442 0.10 . 1 . 207 . . 25 GLY C . 17693 1 214 . 1 1 25 25 GLY CA C 13 45.576 0.10 . 1 . 204 . . 25 GLY CA . 17693 1 215 . 1 1 25 25 GLY N N 15 110.607 0.10 . 1 . 202 . . 25 GLY N . 17693 1 216 . 1 1 26 26 CYS H H 1 8.215 0.02 . 1 . 209 . . 26 CYS H . 17693 1 217 . 1 1 26 26 CYS HA H 1 4.585 0.02 . 1 . 211 . . 26 CYS HA . 17693 1 218 . 1 1 26 26 CYS HB2 H 1 2.977 0.02 . 2 . 213 . . 26 CYS HB2 . 17693 1 219 . 1 1 26 26 CYS HB3 H 1 2.978 0.02 . 2 . 214 . . 26 CYS HB3 . 17693 1 220 . 1 1 26 26 CYS C C 13 175.151 0.10 . 1 . 215 . . 26 CYS C . 17693 1 221 . 1 1 26 26 CYS CA C 13 58.607 0.10 . 1 . 210 . . 26 CYS CA . 17693 1 222 . 1 1 26 26 CYS CB C 13 28.131 0.10 . 1 . 212 . . 26 CYS CB . 17693 1 223 . 1 1 26 26 CYS N N 15 118.164 0.10 . 1 . 208 . . 26 CYS N . 17693 1 224 . 1 1 27 27 GLY H H 1 8.581 0.02 . 1 . 217 . . 27 GLY H . 17693 1 225 . 1 1 27 27 GLY HA2 H 1 4.017 0.02 . 1 . 218 . . 27 GLY HA2 . 17693 1 226 . 1 1 27 27 GLY HA3 H 1 4.017 0.02 . 1 . 219 . . 27 GLY HA3 . 17693 1 227 . 1 1 27 27 GLY C C 13 174.648 0.10 . 1 . 220 . . 27 GLY C . 17693 1 228 . 1 1 27 27 GLY N N 15 111.111 0.10 . 1 . 216 . . 27 GLY N . 17693 1 229 . 1 1 28 28 GLY H H 1 8.359 0.02 . 1 . 222 . . 28 GLY H . 17693 1 230 . 1 1 28 28 GLY HA2 H 1 4.018 0.02 . 1 . 224 . . 28 GLY HA2 . 17693 1 231 . 1 1 28 28 GLY HA3 H 1 4.018 0.02 . 1 . 225 . . 28 GLY HA3 . 17693 1 232 . 1 1 28 28 GLY C C 13 174.695 0.10 . 1 . 226 . . 28 GLY C . 17693 1 233 . 1 1 28 28 GLY CA C 13 45.308 0.10 . 1 . 223 . . 28 GLY CA . 17693 1 234 . 1 1 28 28 GLY N N 15 108.858 0.10 . 1 . 221 . . 28 GLY N . 17693 1 235 . 1 1 29 29 GLY H H 1 8.347 0.02 . 1 . 228 . . 29 GLY H . 17693 1 236 . 1 1 29 29 GLY HA2 H 1 4.011 0.02 . 2 . 229 . . 29 GLY HA2 . 17693 1 237 . 1 1 29 29 GLY HA3 H 1 4.003 0.02 . 2 . 230 . . 29 GLY HA3 . 17693 1 238 . 1 1 29 29 GLY C C 13 174.248 0.10 . 1 . 231 . . 29 GLY C . 17693 1 239 . 1 1 29 29 GLY N N 15 108.684 0.10 . 1 . 227 . . 29 GLY N . 17693 1 240 . 1 1 30 30 GLU H H 1 8.488 0.02 . 1 . 233 . . 30 GLU H . 17693 1 241 . 1 1 30 30 GLU HA H 1 4.336 0.02 . 1 . 235 . . 30 GLU HA . 17693 1 242 . 1 1 30 30 GLU HB2 H 1 1.997 0.02 . 2 . 237 . . 30 GLU HB2 . 17693 1 243 . 1 1 30 30 GLU HB3 H 1 2.122 0.02 . 2 . 238 . . 30 GLU HB3 . 17693 1 244 . 1 1 30 30 GLU HG2 H 1 2.311 0.02 . 2 . 240 . . 30 GLU HG2 . 17693 1 245 . 1 1 30 30 GLU HG3 H 1 2.312 0.02 . 2 . 241 . . 30 GLU HG3 . 17693 1 246 . 1 1 30 30 GLU C C 13 177.102 0.10 . 1 . 242 . . 30 GLU C . 17693 1 247 . 1 1 30 30 GLU CA C 13 56.828 0.10 . 1 . 234 . . 30 GLU CA . 17693 1 248 . 1 1 30 30 GLU CB C 13 30.128 0.10 . 1 . 236 . . 30 GLU CB . 17693 1 249 . 1 1 30 30 GLU CG C 13 36.174 0.10 . 1 . 239 . . 30 GLU CG . 17693 1 250 . 1 1 30 30 GLU N N 15 120.451 0.10 . 1 . 232 . . 30 GLU N . 17693 1 251 . 1 1 31 31 GLY H H 1 8.523 0.02 . 1 . 244 . . 31 GLY H . 17693 1 252 . 1 1 31 31 GLY HA2 H 1 4.003 0.02 . 1 . 245 . . 31 GLY HA2 . 17693 1 253 . 1 1 31 31 GLY HA3 H 1 4.003 0.02 . 1 . 246 . . 31 GLY HA3 . 17693 1 254 . 1 1 31 31 GLY C C 13 173.979 0.10 . 1 . 247 . . 31 GLY C . 17693 1 255 . 1 1 31 31 GLY N N 15 109.875 0.10 . 1 . 243 . . 31 GLY N . 17693 1 256 . 1 1 32 32 VAL H H 1 7.895 0.02 . 1 . 249 . . 32 VAL H . 17693 1 257 . 1 1 32 32 VAL HA H 1 4.201 0.02 . 1 . 251 . . 32 VAL HA . 17693 1 258 . 1 1 32 32 VAL HB H 1 2.110 0.02 . 1 . 253 . . 32 VAL HB . 17693 1 259 . 1 1 32 32 VAL HG11 H 1 0.931 0.02 . 2 . 254 . . 32 VAL HG11 . 17693 1 260 . 1 1 32 32 VAL HG12 H 1 0.931 0.02 . 2 . 254 . . 32 VAL HG12 . 17693 1 261 . 1 1 32 32 VAL HG13 H 1 0.931 0.02 . 2 . 254 . . 32 VAL HG13 . 17693 1 262 . 1 1 32 32 VAL HG21 H 1 0.947 0.02 . 2 . 255 . . 32 VAL HG21 . 17693 1 263 . 1 1 32 32 VAL HG22 H 1 0.947 0.02 . 2 . 255 . . 32 VAL HG22 . 17693 1 264 . 1 1 32 32 VAL HG23 H 1 0.947 0.02 . 2 . 255 . . 32 VAL HG23 . 17693 1 265 . 1 1 32 32 VAL C C 13 175.965 0.10 . 1 . 258 . . 32 VAL C . 17693 1 266 . 1 1 32 32 VAL CA C 13 61.921 0.10 . 1 . 250 . . 32 VAL CA . 17693 1 267 . 1 1 32 32 VAL CB C 13 32.987 0.10 . 1 . 252 . . 32 VAL CB . 17693 1 268 . 1 1 32 32 VAL CG1 C 13 20.530 0.10 . 1 . 256 . . 32 VAL CG1 . 17693 1 269 . 1 1 32 32 VAL CG2 C 13 21.239 0.10 . 1 . 257 . . 32 VAL CG2 . 17693 1 270 . 1 1 32 32 VAL N N 15 118.622 0.10 . 1 . 248 . . 32 VAL N . 17693 1 271 . 1 1 33 33 GLU H H 1 8.578 0.02 . 1 . 260 . . 33 GLU H . 17693 1 272 . 1 1 33 33 GLU HA H 1 4.490 0.02 . 1 . 262 . . 33 GLU HA . 17693 1 273 . 1 1 33 33 GLU HB2 H 1 2.116 0.02 . 2 . 264 . . 33 GLU HB2 . 17693 1 274 . 1 1 33 33 GLU HB3 H 1 2.171 0.02 . 2 . 265 . . 33 GLU HB3 . 17693 1 275 . 1 1 33 33 GLU HG2 H 1 2.384 0.02 . 2 . 267 . . 33 GLU HG2 . 17693 1 276 . 1 1 33 33 GLU HG3 H 1 2.381 0.02 . 2 . 268 . . 33 GLU HG3 . 17693 1 277 . 1 1 33 33 GLU C C 13 176.505 0.10 . 1 . 269 . . 33 GLU C . 17693 1 278 . 1 1 33 33 GLU CA C 13 56.416 0.10 . 1 . 261 . . 33 GLU CA . 17693 1 279 . 1 1 33 33 GLU CB C 13 30.194 0.10 . 1 . 263 . . 33 GLU CB . 17693 1 280 . 1 1 33 33 GLU CG C 13 36.687 0.10 . 1 . 266 . . 33 GLU CG . 17693 1 281 . 1 1 33 33 GLU N N 15 124.954 0.10 . 1 . 259 . . 33 GLU N . 17693 1 282 . 1 1 34 34 THR H H 1 8.298 0.02 . 1 . 271 . . 34 THR H . 17693 1 283 . 1 1 34 34 THR HA H 1 4.521 0.02 . 1 . 273 . . 34 THR HA . 17693 1 284 . 1 1 34 34 THR HB H 1 4.440 0.02 . 1 . 275 . . 34 THR HB . 17693 1 285 . 1 1 34 34 THR HG21 H 1 1.287 0.02 . 1 . 276 . . 34 THR HG21 . 17693 1 286 . 1 1 34 34 THR HG22 H 1 1.287 0.02 . 1 . 276 . . 34 THR HG22 . 17693 1 287 . 1 1 34 34 THR HG23 H 1 1.287 0.02 . 1 . 276 . . 34 THR HG23 . 17693 1 288 . 1 1 34 34 THR C C 13 175.571 0.10 . 1 . 278 . . 34 THR C . 17693 1 289 . 1 1 34 34 THR CA C 13 61.711 0.10 . 1 . 272 . . 34 THR CA . 17693 1 290 . 1 1 34 34 THR CB C 13 70.229 0.10 . 1 . 274 . . 34 THR CB . 17693 1 291 . 1 1 34 34 THR CG2 C 13 21.453 0.10 . 1 . 277 . . 34 THR CG2 . 17693 1 292 . 1 1 34 34 THR N N 15 115.551 0.10 . 1 . 270 . . 34 THR N . 17693 1 293 . 1 1 35 35 GLY H H 1 8.888 0.02 . 1 . 280 . . 35 GLY H . 17693 1 294 . 1 1 35 35 GLY HA2 H 1 3.864 0.02 . 2 . 282 . . 35 GLY HA2 . 17693 1 295 . 1 1 35 35 GLY HA3 H 1 4.231 0.02 . 2 . 283 . . 35 GLY HA3 . 17693 1 296 . 1 1 35 35 GLY C C 13 173.189 0.10 . 1 . 284 . . 35 GLY C . 17693 1 297 . 1 1 35 35 GLY CA C 13 45.648 0.10 . 1 . 281 . . 35 GLY CA . 17693 1 298 . 1 1 35 35 GLY N N 15 112.166 0.10 . 1 . 279 . . 35 GLY N . 17693 1 299 . 1 1 36 36 ALA H H 1 8.092 0.02 . 1 . 286 . . 36 ALA H . 17693 1 300 . 1 1 36 36 ALA HA H 1 4.607 0.02 . 1 . 288 . . 36 ALA HA . 17693 1 301 . 1 1 36 36 ALA HB1 H 1 1.263 0.02 . 1 . 289 . . 36 ALA HB1 . 17693 1 302 . 1 1 36 36 ALA HB2 H 1 1.263 0.02 . 1 . 289 . . 36 ALA HB2 . 17693 1 303 . 1 1 36 36 ALA HB3 H 1 1.263 0.02 . 1 . 289 . . 36 ALA HB3 . 17693 1 304 . 1 1 36 36 ALA C C 13 174.301 0.10 . 1 . 291 . . 36 ALA C . 17693 1 305 . 1 1 36 36 ALA CA C 13 51.826 0.10 . 1 . 287 . . 36 ALA CA . 17693 1 306 . 1 1 36 36 ALA CB C 13 22.839 0.10 . 1 . 290 . . 36 ALA CB . 17693 1 307 . 1 1 36 36 ALA N N 15 118.510 0.10 . 1 . 285 . . 36 ALA N . 17693 1 308 . 1 1 37 37 LYS H H 1 8.617 0.02 . 1 . 293 . . 37 LYS H . 17693 1 309 . 1 1 37 37 LYS HA H 1 4.980 0.02 . 1 . 295 . . 37 LYS HA . 17693 1 310 . 1 1 37 37 LYS HB2 H 1 1.368 0.02 . 2 . 297 . . 37 LYS HB2 . 17693 1 311 . 1 1 37 37 LYS HB3 H 1 1.542 0.02 . 2 . 298 . . 37 LYS HB3 . 17693 1 312 . 1 1 37 37 LYS HG2 H 1 0.962 0.02 . 2 . 300 . . 37 LYS HG2 . 17693 1 313 . 1 1 37 37 LYS HG3 H 1 0.616 0.02 . 2 . 301 . . 37 LYS HG3 . 17693 1 314 . 1 1 37 37 LYS HD2 H 1 1.378 0.02 . 2 . 303 . . 37 LYS HD2 . 17693 1 315 . 1 1 37 37 LYS HD3 H 1 1.374 0.02 . 2 . 304 . . 37 LYS HD3 . 17693 1 316 . 1 1 37 37 LYS HE2 H 1 2.667 0.02 . 2 . 306 . . 37 LYS HE2 . 17693 1 317 . 1 1 37 37 LYS HE3 H 1 2.666 0.02 . 2 . 307 . . 37 LYS HE3 . 17693 1 318 . 1 1 37 37 LYS C C 13 174.201 0.10 . 1 . 308 . . 37 LYS C . 17693 1 319 . 1 1 37 37 LYS CA C 13 55.435 0.10 . 1 . 294 . . 37 LYS CA . 17693 1 320 . 1 1 37 37 LYS CB C 13 34.800 0.10 . 1 . 296 . . 37 LYS CB . 17693 1 321 . 1 1 37 37 LYS CG C 13 24.540 0.10 . 1 . 299 . . 37 LYS CG . 17693 1 322 . 1 1 37 37 LYS CD C 13 29.616 0.10 . 1 . 302 . . 37 LYS CD . 17693 1 323 . 1 1 37 37 LYS CE C 13 41.726 0.10 . 1 . 305 . . 37 LYS CE . 17693 1 324 . 1 1 37 37 LYS N N 15 121.580 0.10 . 1 . 292 . . 37 LYS N . 17693 1 325 . 1 1 38 38 LEU H H 1 9.381 0.02 . 1 . 310 . . 38 LEU H . 17693 1 326 . 1 1 38 38 LEU HA H 1 5.325 0.02 . 1 . 312 . . 38 LEU HA . 17693 1 327 . 1 1 38 38 LEU HB2 H 1 1.728 0.02 . 2 . 314 . . 38 LEU HB2 . 17693 1 328 . 1 1 38 38 LEU HB3 H 1 1.103 0.02 . 2 . 315 . . 38 LEU HB3 . 17693 1 329 . 1 1 38 38 LEU HG H 1 0.885 0.02 . 1 . 316 . . 38 LEU HG . 17693 1 330 . 1 1 38 38 LEU HD11 H 1 0.788 0.02 . 2 . 317 . . 38 LEU HD11 . 17693 1 331 . 1 1 38 38 LEU HD12 H 1 0.788 0.02 . 2 . 317 . . 38 LEU HD12 . 17693 1 332 . 1 1 38 38 LEU HD13 H 1 0.788 0.02 . 2 . 317 . . 38 LEU HD13 . 17693 1 333 . 1 1 38 38 LEU HD21 H 1 0.818 0.02 . 2 . 318 . . 38 LEU HD21 . 17693 1 334 . 1 1 38 38 LEU HD22 H 1 0.818 0.02 . 2 . 318 . . 38 LEU HD22 . 17693 1 335 . 1 1 38 38 LEU HD23 H 1 0.818 0.02 . 2 . 318 . . 38 LEU HD23 . 17693 1 336 . 1 1 38 38 LEU C C 13 176.013 0.10 . 1 . 321 . . 38 LEU C . 17693 1 337 . 1 1 38 38 LEU CA C 13 52.561 0.10 . 1 . 311 . . 38 LEU CA . 17693 1 338 . 1 1 38 38 LEU CB C 13 43.883 0.10 . 1 . 313 . . 38 LEU CB . 17693 1 339 . 1 1 38 38 LEU CD1 C 13 22.971 0.10 . 1 . 319 . . 38 LEU CD1 . 17693 1 340 . 1 1 38 38 LEU CD2 C 13 26.085 0.10 . 1 . 320 . . 38 LEU CD2 . 17693 1 341 . 1 1 38 38 LEU N N 15 120.966 0.10 . 1 . 309 . . 38 LEU N . 17693 1 342 . 1 1 39 39 LEU H H 1 9.102 0.02 . 1 . 323 . . 39 LEU H . 17693 1 343 . 1 1 39 39 LEU HA H 1 5.072 0.02 . 1 . 325 . . 39 LEU HA . 17693 1 344 . 1 1 39 39 LEU HB2 H 1 1.460 0.02 . 2 . 327 . . 39 LEU HB2 . 17693 1 345 . 1 1 39 39 LEU HB3 H 1 1.668 0.02 . 2 . 328 . . 39 LEU HB3 . 17693 1 346 . 1 1 39 39 LEU HG H 1 1.468 0.02 . 1 . 330 . . 39 LEU HG . 17693 1 347 . 1 1 39 39 LEU HD11 H 1 0.851 0.02 . 2 . 331 . . 39 LEU HD11 . 17693 1 348 . 1 1 39 39 LEU HD12 H 1 0.851 0.02 . 2 . 331 . . 39 LEU HD12 . 17693 1 349 . 1 1 39 39 LEU HD13 H 1 0.851 0.02 . 2 . 331 . . 39 LEU HD13 . 17693 1 350 . 1 1 39 39 LEU HD21 H 1 0.891 0.02 . 2 . 332 . . 39 LEU HD21 . 17693 1 351 . 1 1 39 39 LEU HD22 H 1 0.891 0.02 . 2 . 332 . . 39 LEU HD22 . 17693 1 352 . 1 1 39 39 LEU HD23 H 1 0.891 0.02 . 2 . 332 . . 39 LEU HD23 . 17693 1 353 . 1 1 39 39 LEU C C 13 176.523 0.10 . 1 . 335 . . 39 LEU C . 17693 1 354 . 1 1 39 39 LEU CA C 13 53.917 0.10 . 1 . 324 . . 39 LEU CA . 17693 1 355 . 1 1 39 39 LEU CB C 13 43.329 0.10 . 1 . 326 . . 39 LEU CB . 17693 1 356 . 1 1 39 39 LEU CG C 13 27.682 0.10 . 1 . 329 . . 39 LEU CG . 17693 1 357 . 1 1 39 39 LEU CD1 C 13 24.148 0.10 . 1 . 333 . . 39 LEU CD1 . 17693 1 358 . 1 1 39 39 LEU CD2 C 13 24.369 0.10 . 1 . 334 . . 39 LEU CD2 . 17693 1 359 . 1 1 39 39 LEU N N 15 124.094 0.10 . 1 . 322 . . 39 LEU N . 17693 1 360 . 1 1 40 40 VAL H H 1 9.123 0.02 . 1 . 337 . . 40 VAL H . 17693 1 361 . 1 1 40 40 VAL HA H 1 5.050 0.02 . 1 . 339 . . 40 VAL HA . 17693 1 362 . 1 1 40 40 VAL HB H 1 1.973 0.02 . 1 . 341 . . 40 VAL HB . 17693 1 363 . 1 1 40 40 VAL HG11 H 1 1.216 0.02 . 2 . 342 . . 40 VAL HG11 . 17693 1 364 . 1 1 40 40 VAL HG12 H 1 1.216 0.02 . 2 . 342 . . 40 VAL HG12 . 17693 1 365 . 1 1 40 40 VAL HG13 H 1 1.216 0.02 . 2 . 342 . . 40 VAL HG13 . 17693 1 366 . 1 1 40 40 VAL HG21 H 1 0.867 0.02 . 2 . 343 . . 40 VAL HG21 . 17693 1 367 . 1 1 40 40 VAL HG22 H 1 0.867 0.02 . 2 . 343 . . 40 VAL HG22 . 17693 1 368 . 1 1 40 40 VAL HG23 H 1 0.867 0.02 . 2 . 343 . . 40 VAL HG23 . 17693 1 369 . 1 1 40 40 VAL C C 13 174.830 0.10 . 1 . 346 . . 40 VAL C . 17693 1 370 . 1 1 40 40 VAL CA C 13 60.772 0.10 . 1 . 338 . . 40 VAL CA . 17693 1 371 . 1 1 40 40 VAL CB C 13 33.581 0.10 . 1 . 340 . . 40 VAL CB . 17693 1 372 . 1 1 40 40 VAL CG1 C 13 22.486 0.10 . 1 . 344 . . 40 VAL CG1 . 17693 1 373 . 1 1 40 40 VAL CG2 C 13 21.463 0.10 . 1 . 345 . . 40 VAL CG2 . 17693 1 374 . 1 1 40 40 VAL N N 15 130.557 0.10 . 1 . 336 . . 40 VAL N . 17693 1 375 . 1 1 41 41 SER H H 1 9.367 0.02 . 1 . 348 . . 41 SER H . 17693 1 376 . 1 1 41 41 SER HA H 1 5.346 0.02 . 1 . 350 . . 41 SER HA . 17693 1 377 . 1 1 41 41 SER HB2 H 1 3.787 0.02 . 2 . 352 . . 41 SER HB2 . 17693 1 378 . 1 1 41 41 SER HB3 H 1 3.963 0.02 . 2 . 353 . . 41 SER HB3 . 17693 1 379 . 1 1 41 41 SER C C 13 172.832 0.10 . 1 . 354 . . 41 SER C . 17693 1 380 . 1 1 41 41 SER CA C 13 57.407 0.10 . 1 . 349 . . 41 SER CA . 17693 1 381 . 1 1 41 41 SER CB C 13 66.129 0.10 . 1 . 351 . . 41 SER CB . 17693 1 382 . 1 1 41 41 SER N N 15 120.328 0.10 . 1 . 347 . . 41 SER N . 17693 1 383 . 1 1 42 42 ASN H H 1 8.554 0.02 . 1 . 356 . . 42 ASN H . 17693 1 384 . 1 1 42 42 ASN HA H 1 4.493 0.02 . 1 . 358 . . 42 ASN HA . 17693 1 385 . 1 1 42 42 ASN HB2 H 1 2.828 0.02 . 2 . 360 . . 42 ASN HB2 . 17693 1 386 . 1 1 42 42 ASN HB3 H 1 3.658 0.02 . 2 . 361 . . 42 ASN HB3 . 17693 1 387 . 1 1 42 42 ASN HD21 H 1 7.129 0.02 . 1 . 363 . . 42 ASN HD21 . 17693 1 388 . 1 1 42 42 ASN HD22 H 1 7.902 0.02 . 1 . 364 . . 42 ASN HD22 . 17693 1 389 . 1 1 42 42 ASN C C 13 175.543 0.10 . 1 . 365 . . 42 ASN C . 17693 1 390 . 1 1 42 42 ASN CA C 13 53.499 0.10 . 1 . 357 . . 42 ASN CA . 17693 1 391 . 1 1 42 42 ASN CB C 13 38.053 0.10 . 1 . 359 . . 42 ASN CB . 17693 1 392 . 1 1 42 42 ASN N N 15 116.325 0.10 . 1 . 355 . . 42 ASN N . 17693 1 393 . 1 1 42 42 ASN ND2 N 15 110.857 0.10 . 1 . 362 . . 42 ASN ND2 . 17693 1 394 . 1 1 43 43 LEU H H 1 8.251 0.02 . 1 . 367 . . 43 LEU H . 17693 1 395 . 1 1 43 43 LEU HA H 1 4.226 0.02 . 1 . 369 . . 43 LEU HA . 17693 1 396 . 1 1 43 43 LEU HB2 H 1 1.095 0.02 . 2 . 371 . . 43 LEU HB2 . 17693 1 397 . 1 1 43 43 LEU HB3 H 1 1.204 0.02 . 2 . 372 . . 43 LEU HB3 . 17693 1 398 . 1 1 43 43 LEU HG H 1 1.325 0.02 . 1 . 374 . . 43 LEU HG . 17693 1 399 . 1 1 43 43 LEU HD11 H 1 0.909 0.02 . 2 . 375 . . 43 LEU HD11 . 17693 1 400 . 1 1 43 43 LEU HD12 H 1 0.909 0.02 . 2 . 375 . . 43 LEU HD12 . 17693 1 401 . 1 1 43 43 LEU HD13 H 1 0.909 0.02 . 2 . 375 . . 43 LEU HD13 . 17693 1 402 . 1 1 43 43 LEU HD21 H 1 0.441 0.02 . 2 . 376 . . 43 LEU HD21 . 17693 1 403 . 1 1 43 43 LEU HD22 H 1 0.441 0.02 . 2 . 376 . . 43 LEU HD22 . 17693 1 404 . 1 1 43 43 LEU HD23 H 1 0.441 0.02 . 2 . 376 . . 43 LEU HD23 . 17693 1 405 . 1 1 43 43 LEU CA C 13 53.984 0.10 . 1 . 368 . . 43 LEU CA . 17693 1 406 . 1 1 43 43 LEU CB C 13 43.659 0.10 . 1 . 370 . . 43 LEU CB . 17693 1 407 . 1 1 43 43 LEU CG C 13 26.655 0.10 . 1 . 373 . . 43 LEU CG . 17693 1 408 . 1 1 43 43 LEU CD1 C 13 23.364 0.10 . 1 . 377 . . 43 LEU CD1 . 17693 1 409 . 1 1 43 43 LEU CD2 C 13 25.778 0.10 . 1 . 378 . . 43 LEU CD2 . 17693 1 410 . 1 1 43 43 LEU N N 15 116.837 0.10 . 1 . 366 . . 43 LEU N . 17693 1 411 . 1 1 44 44 ASP H H 1 8.214 0.02 . 1 . 380 . . 44 ASP H . 17693 1 412 . 1 1 44 44 ASP HA H 1 4.246 0.02 . 1 . 382 . . 44 ASP HA . 17693 1 413 . 1 1 44 44 ASP HB2 H 1 2.567 0.02 . 2 . 384 . . 44 ASP HB2 . 17693 1 414 . 1 1 44 44 ASP HB3 H 1 2.772 0.02 . 2 . 385 . . 44 ASP HB3 . 17693 1 415 . 1 1 44 44 ASP C C 13 177.477 0.10 . 1 . 386 . . 44 ASP C . 17693 1 416 . 1 1 44 44 ASP CA C 13 54.905 0.10 . 1 . 381 . . 44 ASP CA . 17693 1 417 . 1 1 44 44 ASP CB C 13 43.017 0.10 . 1 . 383 . . 44 ASP CB . 17693 1 418 . 1 1 44 44 ASP N N 15 120.050 0.10 . 1 . 379 . . 44 ASP N . 17693 1 419 . 1 1 45 45 PHE H H 1 8.185 0.02 . 1 . 388 . . 45 PHE H . 17693 1 420 . 1 1 45 45 PHE HA H 1 4.315 0.02 . 1 . 390 . . 45 PHE HA . 17693 1 421 . 1 1 45 45 PHE HB2 H 1 3.044 0.02 . 2 . 392 . . 45 PHE HB2 . 17693 1 422 . 1 1 45 45 PHE HB3 H 1 3.399 0.02 . 2 . 393 . . 45 PHE HB3 . 17693 1 423 . 1 1 45 45 PHE HD1 H 1 7.257 0.02 . 3 . 395 . . 45 PHE HD1 . 17693 1 424 . 1 1 45 45 PHE HD2 H 1 7.258 0.02 . 3 . 400 . . 45 PHE HD2 . 17693 1 425 . 1 1 45 45 PHE HE1 H 1 7.326 0.02 . 3 . 396 . . 45 PHE HE1 . 17693 1 426 . 1 1 45 45 PHE HE2 H 1 7.292 0.02 . 3 . 399 . . 45 PHE HE2 . 17693 1 427 . 1 1 45 45 PHE HZ H 1 7.361 0.02 . 1 . 398 . . 45 PHE HZ . 17693 1 428 . 1 1 45 45 PHE C C 13 175.569 0.10 . 1 . 401 . . 45 PHE C . 17693 1 429 . 1 1 45 45 PHE CA C 13 59.605 0.10 . 1 . 389 . . 45 PHE CA . 17693 1 430 . 1 1 45 45 PHE CB C 13 38.196 0.10 . 1 . 391 . . 45 PHE CB . 17693 1 431 . 1 1 45 45 PHE CD1 C 13 131.252 0.10 . 3 . 394 . . 45 PHE CD1 . 17693 1 432 . 1 1 45 45 PHE CZ C 13 129.913 0.10 . 1 . 397 . . 45 PHE CZ . 17693 1 433 . 1 1 45 45 PHE N N 15 123.195 0.10 . 1 . 387 . . 45 PHE N . 17693 1 434 . 1 1 46 46 GLY H H 1 8.857 0.02 . 1 . 403 . . 46 GLY H . 17693 1 435 . 1 1 46 46 GLY HA2 H 1 3.671 0.02 . 2 . 405 . . 46 GLY HA2 . 17693 1 436 . 1 1 46 46 GLY HA3 H 1 4.186 0.02 . 2 . 406 . . 46 GLY HA3 . 17693 1 437 . 1 1 46 46 GLY C C 13 174.475 0.10 . 1 . 407 . . 46 GLY C . 17693 1 438 . 1 1 46 46 GLY CA C 13 44.846 0.10 . 1 . 404 . . 46 GLY CA . 17693 1 439 . 1 1 46 46 GLY N N 15 107.369 0.10 . 1 . 402 . . 46 GLY N . 17693 1 440 . 1 1 47 47 VAL H H 1 6.994 0.02 . 1 . 409 . . 47 VAL H . 17693 1 441 . 1 1 47 47 VAL HA H 1 3.512 0.02 . 1 . 411 . . 47 VAL HA . 17693 1 442 . 1 1 47 47 VAL HB H 1 1.575 0.02 . 1 . 413 . . 47 VAL HB . 17693 1 443 . 1 1 47 47 VAL HG11 H 1 0.046 0.02 . 2 . 414 . . 47 VAL HG11 . 17693 1 444 . 1 1 47 47 VAL HG12 H 1 0.046 0.02 . 2 . 414 . . 47 VAL HG12 . 17693 1 445 . 1 1 47 47 VAL HG13 H 1 0.046 0.02 . 2 . 414 . . 47 VAL HG13 . 17693 1 446 . 1 1 47 47 VAL HG21 H 1 -0.044 0.02 . 2 . 415 . . 47 VAL HG21 . 17693 1 447 . 1 1 47 47 VAL HG22 H 1 -0.044 0.02 . 2 . 415 . . 47 VAL HG22 . 17693 1 448 . 1 1 47 47 VAL HG23 H 1 -0.044 0.02 . 2 . 415 . . 47 VAL HG23 . 17693 1 449 . 1 1 47 47 VAL C C 13 175.779 0.10 . 1 . 418 . . 47 VAL C . 17693 1 450 . 1 1 47 47 VAL CA C 13 63.586 0.10 . 1 . 410 . . 47 VAL CA . 17693 1 451 . 1 1 47 47 VAL CB C 13 30.783 0.10 . 1 . 412 . . 47 VAL CB . 17693 1 452 . 1 1 47 47 VAL CG1 C 13 21.939 0.10 . 1 . 416 . . 47 VAL CG1 . 17693 1 453 . 1 1 47 47 VAL CG2 C 13 20.708 0.10 . 1 . 417 . . 47 VAL CG2 . 17693 1 454 . 1 1 47 47 VAL N N 15 122.376 0.10 . 1 . 408 . . 47 VAL N . 17693 1 455 . 1 1 48 48 SER H H 1 9.490 0.02 . 1 . 420 . . 48 SER H . 17693 1 456 . 1 1 48 48 SER HA H 1 4.931 0.02 . 1 . 422 . . 48 SER HA . 17693 1 457 . 1 1 48 48 SER HB2 H 1 3.979 0.02 . 2 . 424 . . 48 SER HB2 . 17693 1 458 . 1 1 48 48 SER HB3 H 1 4.384 0.02 . 2 . 425 . . 48 SER HB3 . 17693 1 459 . 1 1 48 48 SER C C 13 175.184 0.10 . 1 . 426 . . 48 SER C . 17693 1 460 . 1 1 48 48 SER CA C 13 56.585 0.10 . 1 . 421 . . 48 SER CA . 17693 1 461 . 1 1 48 48 SER CB C 13 67.818 0.10 . 1 . 423 . . 48 SER CB . 17693 1 462 . 1 1 48 48 SER N N 15 126.189 0.10 . 1 . 419 . . 48 SER N . 17693 1 463 . 1 1 49 49 ASP H H 1 8.714 0.02 . 1 . 428 . . 49 ASP H . 17693 1 464 . 1 1 49 49 ASP HA H 1 4.127 0.02 . 1 . 430 . . 49 ASP HA . 17693 1 465 . 1 1 49 49 ASP HB2 H 1 2.806 0.02 . 2 . 432 . . 49 ASP HB2 . 17693 1 466 . 1 1 49 49 ASP HB3 H 1 2.985 0.02 . 2 . 433 . . 49 ASP HB3 . 17693 1 467 . 1 1 49 49 ASP C C 13 177.747 0.10 . 1 . 434 . . 49 ASP C . 17693 1 468 . 1 1 49 49 ASP CA C 13 58.243 0.10 . 1 . 429 . . 49 ASP CA . 17693 1 469 . 1 1 49 49 ASP CB C 13 40.068 0.10 . 1 . 431 . . 49 ASP CB . 17693 1 470 . 1 1 49 49 ASP N N 15 120.694 0.10 . 1 . 427 . . 49 ASP N . 17693 1 471 . 1 1 50 50 ALA H H 1 8.158 0.02 . 1 . 436 . . 50 ALA H . 17693 1 472 . 1 1 50 50 ALA HA H 1 4.115 0.02 . 1 . 438 . . 50 ALA HA . 17693 1 473 . 1 1 50 50 ALA HB1 H 1 1.467 0.02 . 1 . 439 . . 50 ALA HB1 . 17693 1 474 . 1 1 50 50 ALA HB2 H 1 1.467 0.02 . 1 . 439 . . 50 ALA HB2 . 17693 1 475 . 1 1 50 50 ALA HB3 H 1 1.467 0.02 . 1 . 439 . . 50 ALA HB3 . 17693 1 476 . 1 1 50 50 ALA C C 13 180.447 0.10 . 1 . 441 . . 50 ALA C . 17693 1 477 . 1 1 50 50 ALA CA C 13 55.087 0.10 . 1 . 437 . . 50 ALA CA . 17693 1 478 . 1 1 50 50 ALA CB C 13 18.298 0.10 . 1 . 440 . . 50 ALA CB . 17693 1 479 . 1 1 50 50 ALA N N 15 119.502 0.10 . 1 . 435 . . 50 ALA N . 17693 1 480 . 1 1 51 51 ASP H H 1 7.473 0.02 . 1 . 443 . . 51 ASP H . 17693 1 481 . 1 1 51 51 ASP HA H 1 4.719 0.02 . 1 . 445 . . 51 ASP HA . 17693 1 482 . 1 1 51 51 ASP HB2 H 1 2.963 0.02 . 2 . 447 . . 51 ASP HB2 . 17693 1 483 . 1 1 51 51 ASP HB3 H 1 2.969 0.02 . 2 . 448 . . 51 ASP HB3 . 17693 1 484 . 1 1 51 51 ASP C C 13 177.080 0.10 . 1 . 449 . . 51 ASP C . 17693 1 485 . 1 1 51 51 ASP CA C 13 57.684 0.10 . 1 . 444 . . 51 ASP CA . 17693 1 486 . 1 1 51 51 ASP CB C 13 41.985 0.10 . 1 . 446 . . 51 ASP CB . 17693 1 487 . 1 1 51 51 ASP N N 15 118.999 0.10 . 1 . 442 . . 51 ASP N . 17693 1 488 . 1 1 52 52 ILE H H 1 7.384 0.02 . 1 . 451 . . 52 ILE H . 17693 1 489 . 1 1 52 52 ILE HA H 1 4.047 0.02 . 1 . 453 . . 52 ILE HA . 17693 1 490 . 1 1 52 52 ILE HB H 1 2.135 0.02 . 1 . 455 . . 52 ILE HB . 17693 1 491 . 1 1 52 52 ILE HG12 H 1 1.499 0.02 . 2 . 459 . . 52 ILE HG12 . 17693 1 492 . 1 1 52 52 ILE HG13 H 1 1.050 0.02 . 2 . 460 . . 52 ILE HG13 . 17693 1 493 . 1 1 52 52 ILE HG21 H 1 0.843 0.02 . 1 . 456 . . 52 ILE HG21 . 17693 1 494 . 1 1 52 52 ILE HG22 H 1 0.843 0.02 . 1 . 456 . . 52 ILE HG22 . 17693 1 495 . 1 1 52 52 ILE HG23 H 1 0.843 0.02 . 1 . 456 . . 52 ILE HG23 . 17693 1 496 . 1 1 52 52 ILE HD11 H 1 0.590 0.02 . 1 . 461 . . 52 ILE HD11 . 17693 1 497 . 1 1 52 52 ILE HD12 H 1 0.590 0.02 . 1 . 461 . . 52 ILE HD12 . 17693 1 498 . 1 1 52 52 ILE HD13 H 1 0.590 0.02 . 1 . 461 . . 52 ILE HD13 . 17693 1 499 . 1 1 52 52 ILE C C 13 178.431 0.10 . 1 . 463 . . 52 ILE C . 17693 1 500 . 1 1 52 52 ILE CA C 13 61.888 0.10 . 1 . 452 . . 52 ILE CA . 17693 1 501 . 1 1 52 52 ILE CB C 13 36.199 0.10 . 1 . 454 . . 52 ILE CB . 17693 1 502 . 1 1 52 52 ILE CG1 C 13 26.660 0.10 . 1 . 458 . . 52 ILE CG1 . 17693 1 503 . 1 1 52 52 ILE CG2 C 13 18.920 0.10 . 1 . 457 . . 52 ILE CG2 . 17693 1 504 . 1 1 52 52 ILE CD1 C 13 10.451 0.10 . 1 . 462 . . 52 ILE CD1 . 17693 1 505 . 1 1 52 52 ILE N N 15 116.778 0.10 . 1 . 450 . . 52 ILE N . 17693 1 506 . 1 1 53 53 GLN H H 1 8.508 0.02 . 1 . 465 . . 53 GLN H . 17693 1 507 . 1 1 53 53 GLN HA H 1 3.747 0.02 . 1 . 467 . . 53 GLN HA . 17693 1 508 . 1 1 53 53 GLN HB2 H 1 2.198 0.02 . 2 . 469 . . 53 GLN HB2 . 17693 1 509 . 1 1 53 53 GLN HB3 H 1 2.247 0.02 . 2 . 470 . . 53 GLN HB3 . 17693 1 510 . 1 1 53 53 GLN HG2 H 1 2.473 0.02 . 2 . 472 . . 53 GLN HG2 . 17693 1 511 . 1 1 53 53 GLN HG3 H 1 2.470 0.02 . 2 . 473 . . 53 GLN HG3 . 17693 1 512 . 1 1 53 53 GLN HE21 H 1 7.501 0.02 . 1 . 475 . . 53 GLN HE21 . 17693 1 513 . 1 1 53 53 GLN HE22 H 1 6.869 0.02 . 1 . 476 . . 53 GLN HE22 . 17693 1 514 . 1 1 53 53 GLN C C 13 177.073 0.10 . 1 . 477 . . 53 GLN C . 17693 1 515 . 1 1 53 53 GLN CA C 13 59.738 0.10 . 1 . 466 . . 53 GLN CA . 17693 1 516 . 1 1 53 53 GLN CB C 13 27.884 0.10 . 1 . 468 . . 53 GLN CB . 17693 1 517 . 1 1 53 53 GLN CG C 13 34.143 0.10 . 1 . 471 . . 53 GLN CG . 17693 1 518 . 1 1 53 53 GLN N N 15 120.321 0.10 . 1 . 464 . . 53 GLN N . 17693 1 519 . 1 1 53 53 GLN NE2 N 15 109.995 0.10 . 1 . 474 . . 53 GLN NE2 . 17693 1 520 . 1 1 54 54 GLU H H 1 8.114 0.02 . 1 . 479 . . 54 GLU H . 17693 1 521 . 1 1 54 54 GLU HA H 1 4.020 0.02 . 1 . 481 . . 54 GLU HA . 17693 1 522 . 1 1 54 54 GLU HB2 H 1 2.224 0.02 . 2 . 483 . . 54 GLU HB2 . 17693 1 523 . 1 1 54 54 GLU HB3 H 1 2.379 0.02 . 2 . 484 . . 54 GLU HB3 . 17693 1 524 . 1 1 54 54 GLU HG2 H 1 2.462 0.02 . 2 . 486 . . 54 GLU HG2 . 17693 1 525 . 1 1 54 54 GLU HG3 H 1 2.287 0.02 . 2 . 487 . . 54 GLU HG3 . 17693 1 526 . 1 1 54 54 GLU C C 13 178.992 0.10 . 1 . 488 . . 54 GLU C . 17693 1 527 . 1 1 54 54 GLU CA C 13 58.988 0.10 . 1 . 480 . . 54 GLU CA . 17693 1 528 . 1 1 54 54 GLU CB C 13 29.190 0.10 . 1 . 482 . . 54 GLU CB . 17693 1 529 . 1 1 54 54 GLU CG C 13 36.482 0.10 . 1 . 485 . . 54 GLU CG . 17693 1 530 . 1 1 54 54 GLU N N 15 117.266 0.10 . 1 . 478 . . 54 GLU N . 17693 1 531 . 1 1 55 55 LEU H H 1 7.887 0.02 . 1 . 490 . . 55 LEU H . 17693 1 532 . 1 1 55 55 LEU HA H 1 4.094 0.02 . 1 . 492 . . 55 LEU HA . 17693 1 533 . 1 1 55 55 LEU HB2 H 1 1.507 0.02 . 2 . 494 . . 55 LEU HB2 . 17693 1 534 . 1 1 55 55 LEU HB3 H 1 1.731 0.02 . 2 . 495 . . 55 LEU HB3 . 17693 1 535 . 1 1 55 55 LEU HG H 1 0.615 0.02 . 1 . 497 . . 55 LEU HG . 17693 1 536 . 1 1 55 55 LEU HD11 H 1 0.364 0.02 . 2 . 498 . . 55 LEU HD11 . 17693 1 537 . 1 1 55 55 LEU HD12 H 1 0.364 0.02 . 2 . 498 . . 55 LEU HD12 . 17693 1 538 . 1 1 55 55 LEU HD13 H 1 0.364 0.02 . 2 . 498 . . 55 LEU HD13 . 17693 1 539 . 1 1 55 55 LEU HD21 H 1 -0.051 0.02 . 2 . 499 . . 55 LEU HD21 . 17693 1 540 . 1 1 55 55 LEU HD22 H 1 -0.051 0.02 . 2 . 499 . . 55 LEU HD22 . 17693 1 541 . 1 1 55 55 LEU HD23 H 1 -0.051 0.02 . 2 . 499 . . 55 LEU HD23 . 17693 1 542 . 1 1 55 55 LEU C C 13 178.857 0.10 . 1 . 502 . . 55 LEU C . 17693 1 543 . 1 1 55 55 LEU CA C 13 57.563 0.10 . 1 . 491 . . 55 LEU CA . 17693 1 544 . 1 1 55 55 LEU CB C 13 43.233 0.10 . 1 . 493 . . 55 LEU CB . 17693 1 545 . 1 1 55 55 LEU CG C 13 26.649 0.10 . 1 . 496 . . 55 LEU CG . 17693 1 546 . 1 1 55 55 LEU CD1 C 13 23.502 0.10 . 1 . 500 . . 55 LEU CD1 . 17693 1 547 . 1 1 55 55 LEU CD2 C 13 25.912 0.10 . 1 . 501 . . 55 LEU CD2 . 17693 1 548 . 1 1 55 55 LEU N N 15 117.388 0.10 . 1 . 489 . . 55 LEU N . 17693 1 549 . 1 1 56 56 PHE H H 1 8.219 0.02 . 1 . 504 . . 56 PHE H . 17693 1 550 . 1 1 56 56 PHE HA H 1 4.876 0.02 . 1 . 506 . . 56 PHE HA . 17693 1 551 . 1 1 56 56 PHE HB2 H 1 3.488 0.02 . 2 . 508 . . 56 PHE HB2 . 17693 1 552 . 1 1 56 56 PHE HB3 H 1 2.921 0.02 . 2 . 509 . . 56 PHE HB3 . 17693 1 553 . 1 1 56 56 PHE HD1 H 1 7.807 0.02 . 3 . 511 . . 56 PHE HD1 . 17693 1 554 . 1 1 56 56 PHE HD2 H 1 7.807 0.02 . 3 . 519 . . 56 PHE HD2 . 17693 1 555 . 1 1 56 56 PHE HE1 H 1 7.232 0.02 . 3 . 513 . . 56 PHE HE1 . 17693 1 556 . 1 1 56 56 PHE HE2 H 1 7.237 0.02 . 3 . 517 . . 56 PHE HE2 . 17693 1 557 . 1 1 56 56 PHE HZ H 1 7.225 0.02 . 1 . 515 . . 56 PHE HZ . 17693 1 558 . 1 1 56 56 PHE C C 13 177.044 0.10 . 1 . 520 . . 56 PHE C . 17693 1 559 . 1 1 56 56 PHE CA C 13 62.096 0.10 . 1 . 505 . . 56 PHE CA . 17693 1 560 . 1 1 56 56 PHE CB C 13 39.689 0.10 . 1 . 507 . . 56 PHE CB . 17693 1 561 . 1 1 56 56 PHE CD1 C 13 132.728 0.10 . 3 . 510 . . 56 PHE CD1 . 17693 1 562 . 1 1 56 56 PHE CD2 C 13 132.688 0.10 . 3 . 518 . . 56 PHE CD2 . 17693 1 563 . 1 1 56 56 PHE CE1 C 13 130.672 0.10 . 3 . 512 . . 56 PHE CE1 . 17693 1 564 . 1 1 56 56 PHE CE2 C 13 130.664 0.10 . 3 . 516 . . 56 PHE CE2 . 17693 1 565 . 1 1 56 56 PHE CZ C 13 129.692 0.10 . 1 . 514 . . 56 PHE CZ . 17693 1 566 . 1 1 56 56 PHE N N 15 112.254 0.10 . 1 . 503 . . 56 PHE N . 17693 1 567 . 1 1 57 57 ALA H H 1 8.677 0.02 . 1 . 522 . . 57 ALA H . 17693 1 568 . 1 1 57 57 ALA HA H 1 4.541 0.02 . 1 . 524 . . 57 ALA HA . 17693 1 569 . 1 1 57 57 ALA HB1 H 1 1.619 0.02 . 1 . 525 . . 57 ALA HB1 . 17693 1 570 . 1 1 57 57 ALA HB2 H 1 1.619 0.02 . 1 . 525 . . 57 ALA HB2 . 17693 1 571 . 1 1 57 57 ALA HB3 H 1 1.619 0.02 . 1 . 525 . . 57 ALA HB3 . 17693 1 572 . 1 1 57 57 ALA C C 13 179.037 0.10 . 1 . 527 . . 57 ALA C . 17693 1 573 . 1 1 57 57 ALA CA C 13 54.940 0.10 . 1 . 523 . . 57 ALA CA . 17693 1 574 . 1 1 57 57 ALA CB C 13 18.050 0.10 . 1 . 526 . . 57 ALA CB . 17693 1 575 . 1 1 57 57 ALA N N 15 121.699 0.10 . 1 . 521 . . 57 ALA N . 17693 1 576 . 1 1 58 58 GLU H H 1 7.311 0.02 . 1 . 529 . . 58 GLU H . 17693 1 577 . 1 1 58 58 GLU HA H 1 4.058 0.02 . 1 . 531 . . 58 GLU HA . 17693 1 578 . 1 1 58 58 GLU HB2 H 1 1.738 0.02 . 2 . 533 . . 58 GLU HB2 . 17693 1 579 . 1 1 58 58 GLU HB3 H 1 1.936 0.02 . 2 . 534 . . 58 GLU HB3 . 17693 1 580 . 1 1 58 58 GLU HG2 H 1 1.573 0.02 . 2 . 536 . . 58 GLU HG2 . 17693 1 581 . 1 1 58 58 GLU HG3 H 1 1.837 0.02 . 2 . 537 . . 58 GLU HG3 . 17693 1 582 . 1 1 58 58 GLU C C 13 177.053 0.10 . 1 . 538 . . 58 GLU C . 17693 1 583 . 1 1 58 58 GLU CA C 13 57.867 0.10 . 1 . 530 . . 58 GLU CA . 17693 1 584 . 1 1 58 58 GLU CB C 13 29.695 0.10 . 1 . 532 . . 58 GLU CB . 17693 1 585 . 1 1 58 58 GLU CG C 13 35.236 0.10 . 1 . 535 . . 58 GLU CG . 17693 1 586 . 1 1 58 58 GLU N N 15 113.840 0.10 . 1 . 528 . . 58 GLU N . 17693 1 587 . 1 1 59 59 PHE H H 1 7.863 0.02 . 1 . 540 . . 59 PHE H . 17693 1 588 . 1 1 59 59 PHE HA H 1 4.337 0.02 . 1 . 542 . . 59 PHE HA . 17693 1 589 . 1 1 59 59 PHE HB2 H 1 3.254 0.02 . 2 . 544 . . 59 PHE HB2 . 17693 1 590 . 1 1 59 59 PHE HB3 H 1 3.441 0.02 . 2 . 545 . . 59 PHE HB3 . 17693 1 591 . 1 1 59 59 PHE HD1 H 1 7.631 0.02 . 3 . 547 . . 59 PHE HD1 . 17693 1 592 . 1 1 59 59 PHE HD2 H 1 7.631 0.02 . 3 . 555 . . 59 PHE HD2 . 17693 1 593 . 1 1 59 59 PHE HE1 H 1 7.449 0.02 . 3 . 549 . . 59 PHE HE1 . 17693 1 594 . 1 1 59 59 PHE HE2 H 1 7.441 0.02 . 3 . 553 . . 59 PHE HE2 . 17693 1 595 . 1 1 59 59 PHE HZ H 1 7.061 0.02 . 1 . 551 . . 59 PHE HZ . 17693 1 596 . 1 1 59 59 PHE C C 13 174.798 0.10 . 1 . 556 . . 59 PHE C . 17693 1 597 . 1 1 59 59 PHE CA C 13 59.981 0.10 . 1 . 541 . . 59 PHE CA . 17693 1 598 . 1 1 59 59 PHE CB C 13 40.102 0.10 . 1 . 543 . . 59 PHE CB . 17693 1 599 . 1 1 59 59 PHE CD1 C 13 131.879 0.10 . 3 . 546 . . 59 PHE CD1 . 17693 1 600 . 1 1 59 59 PHE CD2 C 13 131.879 0.10 . 3 . 554 . . 59 PHE CD2 . 17693 1 601 . 1 1 59 59 PHE CE1 C 13 131.832 0.10 . 3 . 548 . . 59 PHE CE1 . 17693 1 602 . 1 1 59 59 PHE CE2 C 13 131.879 0.10 . 3 . 552 . . 59 PHE CE2 . 17693 1 603 . 1 1 59 59 PHE CZ C 13 129.666 0.10 . 1 . 550 . . 59 PHE CZ . 17693 1 604 . 1 1 59 59 PHE N N 15 115.655 0.10 . 1 . 539 . . 59 PHE N . 17693 1 605 . 1 1 60 60 GLY H H 1 7.535 0.02 . 1 . 558 . . 60 GLY H . 17693 1 606 . 1 1 60 60 GLY HA2 H 1 3.944 0.02 . 2 . 560 . . 60 GLY HA2 . 17693 1 607 . 1 1 60 60 GLY HA3 H 1 4.894 0.02 . 2 . 561 . . 60 GLY HA3 . 17693 1 608 . 1 1 60 60 GLY C C 13 184.935 0.10 . 1 . 562 . . 60 GLY C . 17693 1 609 . 1 1 60 60 GLY CA C 13 44.834 0.10 . 1 . 559 . . 60 GLY CA . 17693 1 610 . 1 1 60 60 GLY N N 15 105.065 0.10 . 1 . 557 . . 60 GLY N . 17693 1 611 . 1 1 61 61 THR H H 1 8.227 0.02 . 1 . 564 . . 61 THR H . 17693 1 612 . 1 1 61 61 THR HA H 1 4.119 0.02 . 1 . 566 . . 61 THR HA . 17693 1 613 . 1 1 61 61 THR HB H 1 4.074 0.02 . 1 . 568 . . 61 THR HB . 17693 1 614 . 1 1 61 61 THR HG21 H 1 1.243 0.02 . 1 . 569 . . 61 THR HG21 . 17693 1 615 . 1 1 61 61 THR HG22 H 1 1.243 0.02 . 1 . 569 . . 61 THR HG22 . 17693 1 616 . 1 1 61 61 THR HG23 H 1 1.243 0.02 . 1 . 569 . . 61 THR HG23 . 17693 1 617 . 1 1 61 61 THR C C 13 175.067 0.10 . 1 . 571 . . 61 THR C . 17693 1 618 . 1 1 61 61 THR CA C 13 64.366 0.10 . 1 . 565 . . 61 THR CA . 17693 1 619 . 1 1 61 61 THR CB C 13 69.397 0.10 . 1 . 567 . . 61 THR CB . 17693 1 620 . 1 1 61 61 THR CG2 C 13 22.616 0.10 . 1 . 570 . . 61 THR CG2 . 17693 1 621 . 1 1 61 61 THR N N 15 112.834 0.10 . 1 . 563 . . 61 THR N . 17693 1 622 . 1 1 62 62 LEU H H 1 8.960 0.02 . 1 . 573 . . 62 LEU H . 17693 1 623 . 1 1 62 62 LEU HA H 1 4.573 0.02 . 1 . 575 . . 62 LEU HA . 17693 1 624 . 1 1 62 62 LEU HB2 H 1 1.024 0.02 . 2 . 577 . . 62 LEU HB2 . 17693 1 625 . 1 1 62 62 LEU HB3 H 1 1.742 0.02 . 2 . 578 . . 62 LEU HB3 . 17693 1 626 . 1 1 62 62 LEU HG H 1 1.691 0.02 . 1 . 580 . . 62 LEU HG . 17693 1 627 . 1 1 62 62 LEU HD11 H 1 0.788 0.02 . 2 . 581 . . 62 LEU HD11 . 17693 1 628 . 1 1 62 62 LEU HD12 H 1 0.788 0.02 . 2 . 581 . . 62 LEU HD12 . 17693 1 629 . 1 1 62 62 LEU HD13 H 1 0.788 0.02 . 2 . 581 . . 62 LEU HD13 . 17693 1 630 . 1 1 62 62 LEU HD21 H 1 -0.074 0.02 . 2 . 582 . . 62 LEU HD21 . 17693 1 631 . 1 1 62 62 LEU HD22 H 1 -0.074 0.02 . 2 . 582 . . 62 LEU HD22 . 17693 1 632 . 1 1 62 62 LEU HD23 H 1 -0.074 0.02 . 2 . 582 . . 62 LEU HD23 . 17693 1 633 . 1 1 62 62 LEU C C 13 177.275 0.10 . 1 . 585 . . 62 LEU C . 17693 1 634 . 1 1 62 62 LEU CA C 13 53.649 0.10 . 1 . 574 . . 62 LEU CA . 17693 1 635 . 1 1 62 62 LEU CB C 13 43.115 0.10 . 1 . 576 . . 62 LEU CB . 17693 1 636 . 1 1 62 62 LEU CG C 13 26.395 0.10 . 1 . 579 . . 62 LEU CG . 17693 1 637 . 1 1 62 62 LEU CD1 C 13 26.100 0.10 . 1 . 583 . . 62 LEU CD1 . 17693 1 638 . 1 1 62 62 LEU CD2 C 13 23.196 0.10 . 1 . 584 . . 62 LEU CD2 . 17693 1 639 . 1 1 62 62 LEU N N 15 127.972 0.10 . 1 . 572 . . 62 LEU N . 17693 1 640 . 1 1 63 63 LYS H H 1 8.907 0.02 . 1 . 587 . . 63 LYS H . 17693 1 641 . 1 1 63 63 LYS HA H 1 4.316 0.02 . 1 . 589 . . 63 LYS HA . 17693 1 642 . 1 1 63 63 LYS HB2 H 1 1.712 0.02 . 2 . 591 . . 63 LYS HB2 . 17693 1 643 . 1 1 63 63 LYS HB3 H 1 1.287 0.02 . 2 . 592 . . 63 LYS HB3 . 17693 1 644 . 1 1 63 63 LYS HG2 H 1 1.263 0.02 . 1 . 594 . . 63 LYS HG2 . 17693 1 645 . 1 1 63 63 LYS HG3 H 1 1.263 0.02 . 1 . 595 . . 63 LYS HG3 . 17693 1 646 . 1 1 63 63 LYS HD2 H 1 1.463 0.02 . 2 . 597 . . 63 LYS HD2 . 17693 1 647 . 1 1 63 63 LYS HD3 H 1 1.456 0.02 . 2 . 598 . . 63 LYS HD3 . 17693 1 648 . 1 1 63 63 LYS HE2 H 1 2.883 0.02 . 2 . 600 . . 63 LYS HE2 . 17693 1 649 . 1 1 63 63 LYS HE3 H 1 2.947 0.02 . 2 . 601 . . 63 LYS HE3 . 17693 1 650 . 1 1 63 63 LYS C C 13 176.342 0.10 . 1 . 602 . . 63 LYS C . 17693 1 651 . 1 1 63 63 LYS CA C 13 56.521 0.10 . 1 . 588 . . 63 LYS CA . 17693 1 652 . 1 1 63 63 LYS CB C 13 33.148 0.10 . 1 . 590 . . 63 LYS CB . 17693 1 653 . 1 1 63 63 LYS CG C 13 24.541 0.10 . 1 . 593 . . 63 LYS CG . 17693 1 654 . 1 1 63 63 LYS CD C 13 28.177 0.10 . 1 . 596 . . 63 LYS CD . 17693 1 655 . 1 1 63 63 LYS CE C 13 41.479 0.10 . 1 . 599 . . 63 LYS CE . 17693 1 656 . 1 1 63 63 LYS N N 15 121.827 0.10 . 1 . 586 . . 63 LYS N . 17693 1 657 . 1 1 64 64 LYS H H 1 7.454 0.02 . 1 . 604 . . 64 LYS H . 17693 1 658 . 1 1 64 64 LYS HA H 1 4.264 0.02 . 1 . 606 . . 64 LYS HA . 17693 1 659 . 1 1 64 64 LYS HB2 H 1 1.758 0.02 . 2 . 608 . . 64 LYS HB2 . 17693 1 660 . 1 1 64 64 LYS HB3 H 1 1.297 0.02 . 2 . 609 . . 64 LYS HB3 . 17693 1 661 . 1 1 64 64 LYS HG2 H 1 1.154 0.02 . 2 . 611 . . 64 LYS HG2 . 17693 1 662 . 1 1 64 64 LYS HG3 H 1 1.318 0.02 . 2 . 612 . . 64 LYS HG3 . 17693 1 663 . 1 1 64 64 LYS HD2 H 1 1.447 0.02 . 2 . 614 . . 64 LYS HD2 . 17693 1 664 . 1 1 64 64 LYS HD3 H 1 1.304 0.02 . 2 . 615 . . 64 LYS HD3 . 17693 1 665 . 1 1 64 64 LYS HE2 H 1 2.832 0.02 . 2 . 617 . . 64 LYS HE2 . 17693 1 666 . 1 1 64 64 LYS HE3 H 1 2.884 0.02 . 2 . 618 . . 64 LYS HE3 . 17693 1 667 . 1 1 64 64 LYS C C 13 173.940 0.10 . 1 . 619 . . 64 LYS C . 17693 1 668 . 1 1 64 64 LYS CA C 13 56.568 0.10 . 1 . 605 . . 64 LYS CA . 17693 1 669 . 1 1 64 64 LYS CB C 13 35.491 0.10 . 1 . 607 . . 64 LYS CB . 17693 1 670 . 1 1 64 64 LYS CG C 13 24.895 0.10 . 1 . 610 . . 64 LYS CG . 17693 1 671 . 1 1 64 64 LYS CD C 13 28.967 0.10 . 1 . 613 . . 64 LYS CD . 17693 1 672 . 1 1 64 64 LYS CE C 13 42.261 0.10 . 1 . 616 . . 64 LYS CE . 17693 1 673 . 1 1 64 64 LYS N N 15 117.334 0.10 . 1 . 603 . . 64 LYS N . 17693 1 674 . 1 1 65 65 ALA H H 1 8.744 0.02 . 1 . 621 . . 65 ALA H . 17693 1 675 . 1 1 65 65 ALA HA H 1 4.952 0.02 . 1 . 623 . . 65 ALA HA . 17693 1 676 . 1 1 65 65 ALA HB1 H 1 1.311 0.02 . 1 . 624 . . 65 ALA HB1 . 17693 1 677 . 1 1 65 65 ALA HB2 H 1 1.311 0.02 . 1 . 624 . . 65 ALA HB2 . 17693 1 678 . 1 1 65 65 ALA HB3 H 1 1.311 0.02 . 1 . 624 . . 65 ALA HB3 . 17693 1 679 . 1 1 65 65 ALA C C 13 173.714 0.10 . 1 . 626 . . 65 ALA C . 17693 1 680 . 1 1 65 65 ALA CA C 13 52.128 0.10 . 1 . 622 . . 65 ALA CA . 17693 1 681 . 1 1 65 65 ALA CB C 13 20.154 0.10 . 1 . 625 . . 65 ALA CB . 17693 1 682 . 1 1 65 65 ALA N N 15 128.613 0.10 . 1 . 620 . . 65 ALA N . 17693 1 683 . 1 1 66 66 ALA H H 1 8.253 0.02 . 1 . 628 . . 66 ALA H . 17693 1 684 . 1 1 66 66 ALA HA H 1 4.833 0.02 . 1 . 630 . . 66 ALA HA . 17693 1 685 . 1 1 66 66 ALA HB1 H 1 1.390 0.02 . 1 . 631 . . 66 ALA HB1 . 17693 1 686 . 1 1 66 66 ALA HB2 H 1 1.390 0.02 . 1 . 631 . . 66 ALA HB2 . 17693 1 687 . 1 1 66 66 ALA HB3 H 1 1.390 0.02 . 1 . 631 . . 66 ALA HB3 . 17693 1 688 . 1 1 66 66 ALA C C 13 176.257 0.10 . 1 . 633 . . 66 ALA C . 17693 1 689 . 1 1 66 66 ALA CA C 13 51.245 0.10 . 1 . 629 . . 66 ALA CA . 17693 1 690 . 1 1 66 66 ALA CB C 13 22.558 0.10 . 1 . 632 . . 66 ALA CB . 17693 1 691 . 1 1 66 66 ALA N N 15 123.917 0.10 . 1 . 627 . . 66 ALA N . 17693 1 692 . 1 1 67 67 VAL H H 1 9.161 0.02 . 1 . 635 . . 67 VAL H . 17693 1 693 . 1 1 67 67 VAL HA H 1 3.983 0.02 . 1 . 637 . . 67 VAL HA . 17693 1 694 . 1 1 67 67 VAL HB H 1 1.921 0.02 . 1 . 639 . . 67 VAL HB . 17693 1 695 . 1 1 67 67 VAL HG11 H 1 0.465 0.02 . 2 . 640 . . 67 VAL HG11 . 17693 1 696 . 1 1 67 67 VAL HG12 H 1 0.465 0.02 . 2 . 640 . . 67 VAL HG12 . 17693 1 697 . 1 1 67 67 VAL HG13 H 1 0.465 0.02 . 2 . 640 . . 67 VAL HG13 . 17693 1 698 . 1 1 67 67 VAL HG21 H 1 0.682 0.02 . 2 . 641 . . 67 VAL HG21 . 17693 1 699 . 1 1 67 67 VAL HG22 H 1 0.682 0.02 . 2 . 641 . . 67 VAL HG22 . 17693 1 700 . 1 1 67 67 VAL HG23 H 1 0.682 0.02 . 2 . 641 . . 67 VAL HG23 . 17693 1 701 . 1 1 67 67 VAL C C 13 175.000 0.10 . 1 . 644 . . 67 VAL C . 17693 1 702 . 1 1 67 67 VAL CA C 13 62.462 0.10 . 1 . 636 . . 67 VAL CA . 17693 1 703 . 1 1 67 67 VAL CB C 13 33.140 0.10 . 1 . 638 . . 67 VAL CB . 17693 1 704 . 1 1 67 67 VAL CG1 C 13 20.465 0.10 . 1 . 642 . . 67 VAL CG1 . 17693 1 705 . 1 1 67 67 VAL CG2 C 13 22.872 0.10 . 1 . 643 . . 67 VAL CG2 . 17693 1 706 . 1 1 67 67 VAL N N 15 127.396 0.10 . 1 . 634 . . 67 VAL N . 17693 1 707 . 1 1 68 68 ASP H H 1 8.423 0.02 . 1 . 646 . . 68 ASP H . 17693 1 708 . 1 1 68 68 ASP HA H 1 4.734 0.02 . 1 . 648 . . 68 ASP HA . 17693 1 709 . 1 1 68 68 ASP HB2 H 1 2.480 0.02 . 2 . 650 . . 68 ASP HB2 . 17693 1 710 . 1 1 68 68 ASP HB3 H 1 2.442 0.02 . 2 . 651 . . 68 ASP HB3 . 17693 1 711 . 1 1 68 68 ASP C C 13 173.206 0.10 . 1 . 652 . . 68 ASP C . 17693 1 712 . 1 1 68 68 ASP CA C 13 54.196 0.10 . 1 . 647 . . 68 ASP CA . 17693 1 713 . 1 1 68 68 ASP CB C 13 41.733 0.10 . 1 . 649 . . 68 ASP CB . 17693 1 714 . 1 1 68 68 ASP N N 15 125.184 0.10 . 1 . 645 . . 68 ASP N . 17693 1 715 . 1 1 69 69 TYR H H 1 8.432 0.02 . 1 . 654 . . 69 TYR H . 17693 1 716 . 1 1 69 69 TYR HA H 1 5.075 0.02 . 1 . 656 . . 69 TYR HA . 17693 1 717 . 1 1 69 69 TYR HB2 H 1 2.799 0.02 . 2 . 658 . . 69 TYR HB2 . 17693 1 718 . 1 1 69 69 TYR HB3 H 1 2.840 0.02 . 2 . 659 . . 69 TYR HB3 . 17693 1 719 . 1 1 69 69 TYR HD1 H 1 6.930 0.02 . 3 . 661 . . 69 TYR HD1 . 17693 1 720 . 1 1 69 69 TYR HD2 H 1 6.940 0.02 . 3 . 667 . . 69 TYR HD2 . 17693 1 721 . 1 1 69 69 TYR HE1 H 1 6.930 0.02 . 3 . 663 . . 69 TYR HE1 . 17693 1 722 . 1 1 69 69 TYR HE2 H 1 6.923 0.02 . 3 . 665 . . 69 TYR HE2 . 17693 1 723 . 1 1 69 69 TYR C C 13 176.749 0.10 . 1 . 668 . . 69 TYR C . 17693 1 724 . 1 1 69 69 TYR CA C 13 57.114 0.10 . 1 . 655 . . 69 TYR CA . 17693 1 725 . 1 1 69 69 TYR CB C 13 42.261 0.10 . 1 . 657 . . 69 TYR CB . 17693 1 726 . 1 1 69 69 TYR CD1 C 13 132.767 0.10 . 3 . 660 . . 69 TYR CD1 . 17693 1 727 . 1 1 69 69 TYR CD2 C 13 132.864 0.10 . 3 . 666 . . 69 TYR CD2 . 17693 1 728 . 1 1 69 69 TYR CE1 C 13 117.928 0.10 . 3 . 662 . . 69 TYR CE1 . 17693 1 729 . 1 1 69 69 TYR CE2 C 13 117.875 0.10 . 3 . 664 . . 69 TYR CE2 . 17693 1 730 . 1 1 69 69 TYR N N 15 120.347 0.10 . 1 . 653 . . 69 TYR N . 17693 1 731 . 1 1 70 70 ASP H H 1 9.048 0.02 . 1 . 670 . . 70 ASP H . 17693 1 732 . 1 1 70 70 ASP HA H 1 4.762 0.02 . 1 . 672 . . 70 ASP HA . 17693 1 733 . 1 1 70 70 ASP HB2 H 1 2.758 0.02 . 2 . 674 . . 70 ASP HB2 . 17693 1 734 . 1 1 70 70 ASP HB3 H 1 3.457 0.02 . 2 . 675 . . 70 ASP HB3 . 17693 1 735 . 1 1 70 70 ASP C C 13 178.363 0.10 . 1 . 676 . . 70 ASP C . 17693 1 736 . 1 1 70 70 ASP CA C 13 52.370 0.10 . 1 . 671 . . 70 ASP CA . 17693 1 737 . 1 1 70 70 ASP CB C 13 41.144 0.10 . 1 . 673 . . 70 ASP CB . 17693 1 738 . 1 1 70 70 ASP N N 15 121.175 0.10 . 1 . 669 . . 70 ASP N . 17693 1 739 . 1 1 71 71 ARG H H 1 8.510 0.02 . 1 . 678 . . 71 ARG H . 17693 1 740 . 1 1 71 71 ARG HA H 1 4.194 0.02 . 1 . 680 . . 71 ARG HA . 17693 1 741 . 1 1 71 71 ARG HB2 H 1 1.964 0.02 . 2 . 682 . . 71 ARG HB2 . 17693 1 742 . 1 1 71 71 ARG HB3 H 1 1.978 0.02 . 2 . 683 . . 71 ARG HB3 . 17693 1 743 . 1 1 71 71 ARG HG2 H 1 1.784 0.02 . 1 . 685 . . 71 ARG HG2 . 17693 1 744 . 1 1 71 71 ARG HG3 H 1 1.784 0.02 . 1 . 686 . . 71 ARG HG3 . 17693 1 745 . 1 1 71 71 ARG HD2 H 1 3.271 0.02 . 2 . 688 . . 71 ARG HD2 . 17693 1 746 . 1 1 71 71 ARG HD3 H 1 3.285 0.02 . 2 . 689 . . 71 ARG HD3 . 17693 1 747 . 1 1 71 71 ARG C C 13 177.329 0.10 . 1 . 690 . . 71 ARG C . 17693 1 748 . 1 1 71 71 ARG CA C 13 58.519 0.10 . 1 . 679 . . 71 ARG CA . 17693 1 749 . 1 1 71 71 ARG CB C 13 29.540 0.10 . 1 . 681 . . 71 ARG CB . 17693 1 750 . 1 1 71 71 ARG CG C 13 27.376 0.10 . 1 . 684 . . 71 ARG CG . 17693 1 751 . 1 1 71 71 ARG CD C 13 43.361 0.10 . 1 . 687 . . 71 ARG CD . 17693 1 752 . 1 1 71 71 ARG N N 15 117.739 0.10 . 1 . 677 . . 71 ARG N . 17693 1 753 . 1 1 72 72 SER H H 1 8.445 0.02 . 1 . 692 . . 72 SER H . 17693 1 754 . 1 1 72 72 SER HA H 1 4.622 0.02 . 1 . 694 . . 72 SER HA . 17693 1 755 . 1 1 72 72 SER HB2 H 1 4.009 0.02 . 1 . 696 . . 72 SER HB2 . 17693 1 756 . 1 1 72 72 SER HB3 H 1 4.009 0.02 . 1 . 697 . . 72 SER HB3 . 17693 1 757 . 1 1 72 72 SER C C 13 174.500 0.10 . 1 . 698 . . 72 SER C . 17693 1 758 . 1 1 72 72 SER CA C 13 58.475 0.10 . 1 . 693 . . 72 SER CA . 17693 1 759 . 1 1 72 72 SER CB C 13 64.097 0.10 . 1 . 695 . . 72 SER CB . 17693 1 760 . 1 1 72 72 SER N N 15 115.526 0.10 . 1 . 691 . . 72 SER N . 17693 1 761 . 1 1 73 73 GLY H H 1 8.254 0.02 . 1 . 700 . . 73 GLY H . 17693 1 762 . 1 1 73 73 GLY HA2 H 1 4.223 0.02 . 2 . 702 . . 73 GLY HA2 . 17693 1 763 . 1 1 73 73 GLY HA3 H 1 3.618 0.02 . 2 . 703 . . 73 GLY HA3 . 17693 1 764 . 1 1 73 73 GLY C C 13 173.643 0.10 . 1 . 704 . . 73 GLY C . 17693 1 765 . 1 1 73 73 GLY CA C 13 45.434 0.10 . 1 . 701 . . 73 GLY CA . 17693 1 766 . 1 1 73 73 GLY N N 15 109.787 0.10 . 1 . 699 . . 73 GLY N . 17693 1 767 . 1 1 74 74 ARG H H 1 8.291 0.02 . 1 . 706 . . 74 ARG H . 17693 1 768 . 1 1 74 74 ARG HA H 1 4.515 0.02 . 1 . 708 . . 74 ARG HA . 17693 1 769 . 1 1 74 74 ARG HB2 H 1 1.848 0.02 . 2 . 710 . . 74 ARG HB2 . 17693 1 770 . 1 1 74 74 ARG HB3 H 1 1.873 0.02 . 2 . 711 . . 74 ARG HB3 . 17693 1 771 . 1 1 74 74 ARG HG2 H 1 1.629 0.02 . 1 . 713 . . 74 ARG HG2 . 17693 1 772 . 1 1 74 74 ARG HG3 H 1 1.629 0.02 . 1 . 714 . . 74 ARG HG3 . 17693 1 773 . 1 1 74 74 ARG HD2 H 1 3.155 0.02 . 2 . 716 . . 74 ARG HD2 . 17693 1 774 . 1 1 74 74 ARG HD3 H 1 3.159 0.02 . 2 . 717 . . 74 ARG HD3 . 17693 1 775 . 1 1 74 74 ARG HE H 1 7.347 0.02 . 1 . 719 . . 74 ARG HE . 17693 1 776 . 1 1 74 74 ARG C C 13 176.262 0.10 . 1 . 720 . . 74 ARG C . 17693 1 777 . 1 1 74 74 ARG CA C 13 55.308 0.10 . 1 . 707 . . 74 ARG CA . 17693 1 778 . 1 1 74 74 ARG CB C 13 30.550 0.10 . 1 . 709 . . 74 ARG CB . 17693 1 779 . 1 1 74 74 ARG CG C 13 27.497 0.10 . 1 . 712 . . 74 ARG CG . 17693 1 780 . 1 1 74 74 ARG CD C 13 43.345 0.10 . 1 . 715 . . 74 ARG CD . 17693 1 781 . 1 1 74 74 ARG N N 15 122.140 0.10 . 1 . 705 . . 74 ARG N . 17693 1 782 . 1 1 74 74 ARG NE N 15 85.400 0.10 . 1 . 718 . . 74 ARG NE . 17693 1 783 . 1 1 75 75 SER H H 1 8.809 0.02 . 1 . 722 . . 75 SER H . 17693 1 784 . 1 1 75 75 SER HA H 1 4.097 0.02 . 1 . 724 . . 75 SER HA . 17693 1 785 . 1 1 75 75 SER HB2 H 1 3.884 0.02 . 2 . 726 . . 75 SER HB2 . 17693 1 786 . 1 1 75 75 SER HB3 H 1 4.062 0.02 . 2 . 727 . . 75 SER HB3 . 17693 1 787 . 1 1 75 75 SER C C 13 175.943 0.10 . 1 . 728 . . 75 SER C . 17693 1 788 . 1 1 75 75 SER CA C 13 58.221 0.10 . 1 . 723 . . 75 SER CA . 17693 1 789 . 1 1 75 75 SER CB C 13 64.001 0.10 . 1 . 725 . . 75 SER CB . 17693 1 790 . 1 1 75 75 SER N N 15 118.398 0.10 . 1 . 721 . . 75 SER N . 17693 1 791 . 1 1 76 76 LEU H H 1 8.722 0.02 . 1 . 730 . . 76 LEU H . 17693 1 792 . 1 1 76 76 LEU HA H 1 4.454 0.02 . 1 . 732 . . 76 LEU HA . 17693 1 793 . 1 1 76 76 LEU HB2 H 1 1.653 0.02 . 2 . 734 . . 76 LEU HB2 . 17693 1 794 . 1 1 76 76 LEU HB3 H 1 1.559 0.02 . 2 . 735 . . 76 LEU HB3 . 17693 1 795 . 1 1 76 76 LEU HG H 1 1.527 0.02 . 1 . 737 . . 76 LEU HG . 17693 1 796 . 1 1 76 76 LEU HD11 H 1 0.741 0.02 . 2 . 738 . . 76 LEU HD11 . 17693 1 797 . 1 1 76 76 LEU HD12 H 1 0.741 0.02 . 2 . 738 . . 76 LEU HD12 . 17693 1 798 . 1 1 76 76 LEU HD13 H 1 0.741 0.02 . 2 . 738 . . 76 LEU HD13 . 17693 1 799 . 1 1 76 76 LEU HD21 H 1 0.964 0.02 . 2 . 739 . . 76 LEU HD21 . 17693 1 800 . 1 1 76 76 LEU HD22 H 1 0.964 0.02 . 2 . 739 . . 76 LEU HD22 . 17693 1 801 . 1 1 76 76 LEU HD23 H 1 0.964 0.02 . 2 . 739 . . 76 LEU HD23 . 17693 1 802 . 1 1 76 76 LEU C C 13 178.888 0.10 . 1 . 742 . . 76 LEU C . 17693 1 803 . 1 1 76 76 LEU CA C 13 54.988 0.10 . 1 . 731 . . 76 LEU CA . 17693 1 804 . 1 1 76 76 LEU CB C 13 42.279 0.10 . 1 . 733 . . 76 LEU CB . 17693 1 805 . 1 1 76 76 LEU CG C 13 27.519 0.10 . 1 . 736 . . 76 LEU CG . 17693 1 806 . 1 1 76 76 LEU CD1 C 13 25.555 0.10 . 1 . 740 . . 76 LEU CD1 . 17693 1 807 . 1 1 76 76 LEU CD2 C 13 23.386 0.10 . 1 . 741 . . 76 LEU CD2 . 17693 1 808 . 1 1 76 76 LEU N N 15 125.225 0.10 . 1 . 729 . . 76 LEU N . 17693 1 809 . 1 1 77 77 GLY H H 1 9.657 0.02 . 1 . 744 . . 77 GLY H . 17693 1 810 . 1 1 77 77 GLY HA2 H 1 3.416 0.02 . 2 . 746 . . 77 GLY HA2 . 17693 1 811 . 1 1 77 77 GLY HA3 H 1 4.051 0.02 . 2 . 747 . . 77 GLY HA3 . 17693 1 812 . 1 1 77 77 GLY C C 13 172.086 0.10 . 1 . 748 . . 77 GLY C . 17693 1 813 . 1 1 77 77 GLY CA C 13 46.016 0.10 . 1 . 745 . . 77 GLY CA . 17693 1 814 . 1 1 77 77 GLY N N 15 109.777 0.10 . 1 . 743 . . 77 GLY N . 17693 1 815 . 1 1 78 78 THR H H 1 7.054 0.02 . 1 . 750 . . 78 THR H . 17693 1 816 . 1 1 78 78 THR HA H 1 5.376 0.02 . 1 . 752 . . 78 THR HA . 17693 1 817 . 1 1 78 78 THR HB H 1 4.361 0.02 . 1 . 754 . . 78 THR HB . 17693 1 818 . 1 1 78 78 THR HG21 H 1 1.112 0.02 . 1 . 755 . . 78 THR HG21 . 17693 1 819 . 1 1 78 78 THR HG22 H 1 1.112 0.02 . 1 . 755 . . 78 THR HG22 . 17693 1 820 . 1 1 78 78 THR HG23 H 1 1.112 0.02 . 1 . 755 . . 78 THR HG23 . 17693 1 821 . 1 1 78 78 THR C C 13 172.503 0.10 . 1 . 757 . . 78 THR C . 17693 1 822 . 1 1 78 78 THR CA C 13 58.361 0.10 . 1 . 751 . . 78 THR CA . 17693 1 823 . 1 1 78 78 THR CB C 13 72.478 0.10 . 1 . 753 . . 78 THR CB . 17693 1 824 . 1 1 78 78 THR CG2 C 13 21.266 0.10 . 1 . 756 . . 78 THR CG2 . 17693 1 825 . 1 1 78 78 THR N N 15 106.376 0.10 . 1 . 749 . . 78 THR N . 17693 1 826 . 1 1 79 79 ALA H H 1 9.174 0.02 . 1 . 759 . . 79 ALA H . 17693 1 827 . 1 1 79 79 ALA HA H 1 4.852 0.02 . 1 . 761 . . 79 ALA HA . 17693 1 828 . 1 1 79 79 ALA HB1 H 1 0.950 0.02 . 1 . 762 . . 79 ALA HB1 . 17693 1 829 . 1 1 79 79 ALA HB2 H 1 0.950 0.02 . 1 . 762 . . 79 ALA HB2 . 17693 1 830 . 1 1 79 79 ALA HB3 H 1 0.950 0.02 . 1 . 762 . . 79 ALA HB3 . 17693 1 831 . 1 1 79 79 ALA C C 13 174.444 0.10 . 1 . 764 . . 79 ALA C . 17693 1 832 . 1 1 79 79 ALA CA C 13 50.884 0.10 . 1 . 760 . . 79 ALA CA . 17693 1 833 . 1 1 79 79 ALA CB C 13 23.441 0.10 . 1 . 763 . . 79 ALA CB . 17693 1 834 . 1 1 79 79 ALA N N 15 119.536 0.10 . 1 . 758 . . 79 ALA N . 17693 1 835 . 1 1 80 80 ASP H H 1 8.366 0.02 . 1 . 766 . . 80 ASP H . 17693 1 836 . 1 1 80 80 ASP HA H 1 5.173 0.02 . 1 . 768 . . 80 ASP HA . 17693 1 837 . 1 1 80 80 ASP HB2 H 1 2.619 0.02 . 2 . 770 . . 80 ASP HB2 . 17693 1 838 . 1 1 80 80 ASP HB3 H 1 2.655 0.02 . 2 . 771 . . 80 ASP HB3 . 17693 1 839 . 1 1 80 80 ASP C C 13 175.109 0.10 . 1 . 772 . . 80 ASP C . 17693 1 840 . 1 1 80 80 ASP CA C 13 52.820 0.10 . 1 . 767 . . 80 ASP CA . 17693 1 841 . 1 1 80 80 ASP CB C 13 43.288 0.10 . 1 . 769 . . 80 ASP CB . 17693 1 842 . 1 1 80 80 ASP N N 15 121.260 0.10 . 1 . 765 . . 80 ASP N . 17693 1 843 . 1 1 81 81 VAL H H 1 8.387 0.02 . 1 . 774 . . 81 VAL H . 17693 1 844 . 1 1 81 81 VAL HA H 1 4.425 0.02 . 1 . 776 . . 81 VAL HA . 17693 1 845 . 1 1 81 81 VAL HB H 1 1.682 0.02 . 1 . 778 . . 81 VAL HB . 17693 1 846 . 1 1 81 81 VAL HG11 H 1 0.378 0.02 . 2 . 779 . . 81 VAL HG11 . 17693 1 847 . 1 1 81 81 VAL HG12 H 1 0.378 0.02 . 2 . 779 . . 81 VAL HG12 . 17693 1 848 . 1 1 81 81 VAL HG13 H 1 0.378 0.02 . 2 . 779 . . 81 VAL HG13 . 17693 1 849 . 1 1 81 81 VAL HG21 H 1 0.341 0.02 . 2 . 780 . . 81 VAL HG21 . 17693 1 850 . 1 1 81 81 VAL HG22 H 1 0.341 0.02 . 2 . 780 . . 81 VAL HG22 . 17693 1 851 . 1 1 81 81 VAL HG23 H 1 0.341 0.02 . 2 . 780 . . 81 VAL HG23 . 17693 1 852 . 1 1 81 81 VAL C C 13 173.939 0.10 . 1 . 783 . . 81 VAL C . 17693 1 853 . 1 1 81 81 VAL CA C 13 61.081 0.10 . 1 . 775 . . 81 VAL CA . 17693 1 854 . 1 1 81 81 VAL CB C 13 33.858 0.10 . 1 . 777 . . 81 VAL CB . 17693 1 855 . 1 1 81 81 VAL CG1 C 13 21.062 0.10 . 1 . 781 . . 81 VAL CG1 . 17693 1 856 . 1 1 81 81 VAL CG2 C 13 22.676 0.10 . 1 . 782 . . 81 VAL CG2 . 17693 1 857 . 1 1 81 81 VAL N N 15 122.980 0.10 . 1 . 773 . . 81 VAL N . 17693 1 858 . 1 1 82 82 HIS H H 1 9.271 0.02 . 1 . 785 . . 82 HIS H . 17693 1 859 . 1 1 82 82 HIS HA H 1 5.501 0.02 . 1 . 787 . . 82 HIS HA . 17693 1 860 . 1 1 82 82 HIS HB2 H 1 3.197 0.02 . 2 . 789 . . 82 HIS HB2 . 17693 1 861 . 1 1 82 82 HIS HB3 H 1 2.957 0.02 . 2 . 790 . . 82 HIS HB3 . 17693 1 862 . 1 1 82 82 HIS HD2 H 1 6.933 0.02 . 1 . 792 . . 82 HIS HD2 . 17693 1 863 . 1 1 82 82 HIS C C 13 174.910 0.10 . 1 . 793 . . 82 HIS C . 17693 1 864 . 1 1 82 82 HIS CA C 13 53.326 0.10 . 1 . 786 . . 82 HIS CA . 17693 1 865 . 1 1 82 82 HIS CB C 13 33.608 0.10 . 1 . 788 . . 82 HIS CB . 17693 1 866 . 1 1 82 82 HIS CD2 C 13 116.893 0.10 . 1 . 791 . . 82 HIS CD2 . 17693 1 867 . 1 1 82 82 HIS N N 15 127.248 0.10 . 1 . 784 . . 82 HIS N . 17693 1 868 . 1 1 83 83 PHE H H 1 9.310 0.02 . 1 . 795 . . 83 PHE H . 17693 1 869 . 1 1 83 83 PHE HA H 1 4.853 0.02 . 1 . 797 . . 83 PHE HA . 17693 1 870 . 1 1 83 83 PHE HB2 H 1 3.736 0.02 . 2 . 799 . . 83 PHE HB2 . 17693 1 871 . 1 1 83 83 PHE HB3 H 1 2.733 0.02 . 2 . 800 . . 83 PHE HB3 . 17693 1 872 . 1 1 83 83 PHE HD1 H 1 7.285 0.02 . 3 . 802 . . 83 PHE HD1 . 17693 1 873 . 1 1 83 83 PHE HD2 H 1 7.268 0.02 . 3 . 807 . . 83 PHE HD2 . 17693 1 874 . 1 1 83 83 PHE HE1 H 1 7.151 0.02 . 3 . 803 . . 83 PHE HE1 . 17693 1 875 . 1 1 83 83 PHE HE2 H 1 7.179 0.02 . 3 . 806 . . 83 PHE HE2 . 17693 1 876 . 1 1 83 83 PHE HZ H 1 7.463 0.02 . 1 . 805 . . 83 PHE HZ . 17693 1 877 . 1 1 83 83 PHE C C 13 175.563 0.10 . 1 . 808 . . 83 PHE C . 17693 1 878 . 1 1 83 83 PHE CA C 13 58.238 0.10 . 1 . 796 . . 83 PHE CA . 17693 1 879 . 1 1 83 83 PHE CB C 13 41.253 0.10 . 1 . 798 . . 83 PHE CB . 17693 1 880 . 1 1 83 83 PHE CD1 C 13 129.903 0.10 . 3 . 801 . . 83 PHE CD1 . 17693 1 881 . 1 1 83 83 PHE CZ C 13 129.365 0.10 . 1 . 804 . . 83 PHE CZ . 17693 1 882 . 1 1 83 83 PHE N N 15 125.565 0.10 . 1 . 794 . . 83 PHE N . 17693 1 883 . 1 1 84 84 GLU H H 1 8.211 0.02 . 1 . 810 . . 84 GLU H . 17693 1 884 . 1 1 84 84 GLU HA H 1 4.091 0.02 . 1 . 812 . . 84 GLU HA . 17693 1 885 . 1 1 84 84 GLU HB2 H 1 1.981 0.02 . 2 . 814 . . 84 GLU HB2 . 17693 1 886 . 1 1 84 84 GLU HB3 H 1 2.241 0.02 . 2 . 815 . . 84 GLU HB3 . 17693 1 887 . 1 1 84 84 GLU HG2 H 1 2.183 0.02 . 2 . 817 . . 84 GLU HG2 . 17693 1 888 . 1 1 84 84 GLU HG3 H 1 2.278 0.02 . 2 . 818 . . 84 GLU HG3 . 17693 1 889 . 1 1 84 84 GLU C C 13 176.391 0.10 . 1 . 819 . . 84 GLU C . 17693 1 890 . 1 1 84 84 GLU CA C 13 59.385 0.10 . 1 . 811 . . 84 GLU CA . 17693 1 891 . 1 1 84 84 GLU CB C 13 30.390 0.10 . 1 . 813 . . 84 GLU CB . 17693 1 892 . 1 1 84 84 GLU CG C 13 36.904 0.10 . 1 . 816 . . 84 GLU CG . 17693 1 893 . 1 1 84 84 GLU N N 15 120.966 0.10 . 1 . 809 . . 84 GLU N . 17693 1 894 . 1 1 85 85 ARG H H 1 9.397 0.02 . 1 . 821 . . 85 ARG H . 17693 1 895 . 1 1 85 85 ARG HA H 1 4.881 0.02 . 1 . 823 . . 85 ARG HA . 17693 1 896 . 1 1 85 85 ARG HB2 H 1 1.971 0.02 . 1 . 825 . . 85 ARG HB2 . 17693 1 897 . 1 1 85 85 ARG HB3 H 1 1.971 0.02 . 1 . 826 . . 85 ARG HB3 . 17693 1 898 . 1 1 85 85 ARG HG2 H 1 1.673 0.02 . 2 . 828 . . 85 ARG HG2 . 17693 1 899 . 1 1 85 85 ARG HG3 H 1 1.845 0.02 . 2 . 829 . . 85 ARG HG3 . 17693 1 900 . 1 1 85 85 ARG HD2 H 1 3.349 0.02 . 2 . 831 . . 85 ARG HD2 . 17693 1 901 . 1 1 85 85 ARG HD3 H 1 3.406 0.02 . 2 . 832 . . 85 ARG HD3 . 17693 1 902 . 1 1 85 85 ARG HE H 1 7.646 0.02 . 1 . 834 . . 85 ARG HE . 17693 1 903 . 1 1 85 85 ARG HH11 H 1 6.931 0.02 . 1 . 835 . . 85 ARG HH11 . 17693 1 904 . 1 1 85 85 ARG C C 13 176.856 0.10 . 1 . 836 . . 85 ARG C . 17693 1 905 . 1 1 85 85 ARG CA C 13 54.191 0.10 . 1 . 822 . . 85 ARG CA . 17693 1 906 . 1 1 85 85 ARG CB C 13 31.723 0.10 . 1 . 824 . . 85 ARG CB . 17693 1 907 . 1 1 85 85 ARG CG C 13 27.098 0.10 . 1 . 827 . . 85 ARG CG . 17693 1 908 . 1 1 85 85 ARG CD C 13 43.610 0.10 . 1 . 830 . . 85 ARG CD . 17693 1 909 . 1 1 85 85 ARG N N 15 115.287 0.10 . 1 . 820 . . 85 ARG N . 17693 1 910 . 1 1 85 85 ARG NE N 15 84.704 0.10 . 1 . 833 . . 85 ARG NE . 17693 1 911 . 1 1 86 86 ARG H H 1 9.358 0.02 . 1 . 838 . . 86 ARG H . 17693 1 912 . 1 1 86 86 ARG HA H 1 3.719 0.02 . 1 . 840 . . 86 ARG HA . 17693 1 913 . 1 1 86 86 ARG HB2 H 1 1.828 0.02 . 2 . 842 . . 86 ARG HB2 . 17693 1 914 . 1 1 86 86 ARG HB3 H 1 1.833 0.02 . 2 . 843 . . 86 ARG HB3 . 17693 1 915 . 1 1 86 86 ARG HG2 H 1 1.488 0.02 . 2 . 845 . . 86 ARG HG2 . 17693 1 916 . 1 1 86 86 ARG HG3 H 1 1.788 0.02 . 2 . 846 . . 86 ARG HG3 . 17693 1 917 . 1 1 86 86 ARG HD2 H 1 3.228 0.02 . 2 . 848 . . 86 ARG HD2 . 17693 1 918 . 1 1 86 86 ARG HD3 H 1 3.147 0.02 . 2 . 849 . . 86 ARG HD3 . 17693 1 919 . 1 1 86 86 ARG HE H 1 7.409 0.02 . 1 . 851 . . 86 ARG HE . 17693 1 920 . 1 1 86 86 ARG C C 13 177.253 0.10 . 1 . 852 . . 86 ARG C . 17693 1 921 . 1 1 86 86 ARG CA C 13 59.798 0.10 . 1 . 839 . . 86 ARG CA . 17693 1 922 . 1 1 86 86 ARG CB C 13 29.684 0.10 . 1 . 841 . . 86 ARG CB . 17693 1 923 . 1 1 86 86 ARG CG C 13 27.954 0.10 . 1 . 844 . . 86 ARG CG . 17693 1 924 . 1 1 86 86 ARG CD C 13 42.317 0.10 . 1 . 847 . . 86 ARG CD . 17693 1 925 . 1 1 86 86 ARG N N 15 127.396 0.10 . 1 . 837 . . 86 ARG N . 17693 1 926 . 1 1 86 86 ARG NE N 15 84.448 0.10 . 1 . 850 . . 86 ARG NE . 17693 1 927 . 1 1 87 87 ALA H H 1 9.168 0.02 . 1 . 854 . . 87 ALA H . 17693 1 928 . 1 1 87 87 ALA HA H 1 3.959 0.02 . 1 . 856 . . 87 ALA HA . 17693 1 929 . 1 1 87 87 ALA HB1 H 1 1.433 0.02 . 1 . 857 . . 87 ALA HB1 . 17693 1 930 . 1 1 87 87 ALA HB2 H 1 1.433 0.02 . 1 . 857 . . 87 ALA HB2 . 17693 1 931 . 1 1 87 87 ALA HB3 H 1 1.433 0.02 . 1 . 857 . . 87 ALA HB3 . 17693 1 932 . 1 1 87 87 ALA C C 13 179.946 0.10 . 1 . 859 . . 87 ALA C . 17693 1 933 . 1 1 87 87 ALA CA C 13 55.260 0.10 . 1 . 855 . . 87 ALA CA . 17693 1 934 . 1 1 87 87 ALA CB C 13 18.508 0.10 . 1 . 858 . . 87 ALA CB . 17693 1 935 . 1 1 87 87 ALA N N 15 118.374 0.10 . 1 . 853 . . 87 ALA N . 17693 1 936 . 1 1 88 88 ASP H H 1 6.767 0.02 . 1 . 861 . . 88 ASP H . 17693 1 937 . 1 1 88 88 ASP HA H 1 4.355 0.02 . 1 . 863 . . 88 ASP HA . 17693 1 938 . 1 1 88 88 ASP HB2 H 1 2.656 0.02 . 2 . 865 . . 88 ASP HB2 . 17693 1 939 . 1 1 88 88 ASP HB3 H 1 2.896 0.02 . 2 . 866 . . 88 ASP HB3 . 17693 1 940 . 1 1 88 88 ASP C C 13 176.273 0.10 . 1 . 867 . . 88 ASP C . 17693 1 941 . 1 1 88 88 ASP CA C 13 56.772 0.10 . 1 . 862 . . 88 ASP CA . 17693 1 942 . 1 1 88 88 ASP CB C 13 41.684 0.10 . 1 . 864 . . 88 ASP CB . 17693 1 943 . 1 1 88 88 ASP N N 15 117.864 0.10 . 1 . 860 . . 88 ASP N . 17693 1 944 . 1 1 89 89 ALA H H 1 6.692 0.02 . 1 . 869 . . 89 ALA H . 17693 1 945 . 1 1 89 89 ALA HA H 1 2.833 0.02 . 1 . 871 . . 89 ALA HA . 17693 1 946 . 1 1 89 89 ALA HB1 H 1 1.167 0.02 . 1 . 872 . . 89 ALA HB1 . 17693 1 947 . 1 1 89 89 ALA HB2 H 1 1.167 0.02 . 1 . 872 . . 89 ALA HB2 . 17693 1 948 . 1 1 89 89 ALA HB3 H 1 1.167 0.02 . 1 . 872 . . 89 ALA HB3 . 17693 1 949 . 1 1 89 89 ALA C C 13 179.084 0.10 . 1 . 874 . . 89 ALA C . 17693 1 950 . 1 1 89 89 ALA CA C 13 54.054 0.10 . 1 . 870 . . 89 ALA CA . 17693 1 951 . 1 1 89 89 ALA CB C 13 18.774 0.10 . 1 . 873 . . 89 ALA CB . 17693 1 952 . 1 1 89 89 ALA N N 15 121.331 0.10 . 1 . 868 . . 89 ALA N . 17693 1 953 . 1 1 90 90 LEU H H 1 7.900 0.02 . 1 . 876 . . 90 LEU H . 17693 1 954 . 1 1 90 90 LEU HA H 1 3.830 0.02 . 1 . 878 . . 90 LEU HA . 17693 1 955 . 1 1 90 90 LEU HB2 H 1 1.479 0.02 . 2 . 880 . . 90 LEU HB2 . 17693 1 956 . 1 1 90 90 LEU HB3 H 1 1.715 0.02 . 2 . 881 . . 90 LEU HB3 . 17693 1 957 . 1 1 90 90 LEU HG H 1 1.497 0.02 . 1 . 882 . . 90 LEU HG . 17693 1 958 . 1 1 90 90 LEU HD11 H 1 0.862 0.02 . 2 . 883 . . 90 LEU HD11 . 17693 1 959 . 1 1 90 90 LEU HD12 H 1 0.862 0.02 . 2 . 883 . . 90 LEU HD12 . 17693 1 960 . 1 1 90 90 LEU HD13 H 1 0.862 0.02 . 2 . 883 . . 90 LEU HD13 . 17693 1 961 . 1 1 90 90 LEU HD21 H 1 0.812 0.02 . 2 . 884 . . 90 LEU HD21 . 17693 1 962 . 1 1 90 90 LEU HD22 H 1 0.812 0.02 . 2 . 884 . . 90 LEU HD22 . 17693 1 963 . 1 1 90 90 LEU HD23 H 1 0.812 0.02 . 2 . 884 . . 90 LEU HD23 . 17693 1 964 . 1 1 90 90 LEU C C 13 179.605 0.10 . 1 . 887 . . 90 LEU C . 17693 1 965 . 1 1 90 90 LEU CA C 13 58.024 0.10 . 1 . 877 . . 90 LEU CA . 17693 1 966 . 1 1 90 90 LEU CB C 13 41.181 0.10 . 1 . 879 . . 90 LEU CB . 17693 1 967 . 1 1 90 90 LEU CD1 C 13 24.967 0.10 . 1 . 885 . . 90 LEU CD1 . 17693 1 968 . 1 1 90 90 LEU CD2 C 13 23.368 0.10 . 1 . 886 . . 90 LEU CD2 . 17693 1 969 . 1 1 90 90 LEU N N 15 115.741 0.10 . 1 . 875 . . 90 LEU N . 17693 1 970 . 1 1 91 91 LYS H H 1 7.329 0.02 . 1 . 889 . . 91 LYS H . 17693 1 971 . 1 1 91 91 LYS HA H 1 3.881 0.02 . 1 . 891 . . 91 LYS HA . 17693 1 972 . 1 1 91 91 LYS HB2 H 1 2.023 0.02 . 2 . 893 . . 91 LYS HB2 . 17693 1 973 . 1 1 91 91 LYS HB3 H 1 2.015 0.02 . 2 . 894 . . 91 LYS HB3 . 17693 1 974 . 1 1 91 91 LYS HG2 H 1 1.718 0.02 . 2 . 896 . . 91 LYS HG2 . 17693 1 975 . 1 1 91 91 LYS HG3 H 1 1.538 0.02 . 2 . 897 . . 91 LYS HG3 . 17693 1 976 . 1 1 91 91 LYS HD2 H 1 1.910 0.02 . 2 . 898 . . 91 LYS HD2 . 17693 1 977 . 1 1 91 91 LYS HD3 H 1 1.894 0.02 . 2 . 899 . . 91 LYS HD3 . 17693 1 978 . 1 1 91 91 LYS HE2 H 1 3.112 0.02 . 2 . 901 . . 91 LYS HE2 . 17693 1 979 . 1 1 91 91 LYS HE3 H 1 3.123 0.02 . 2 . 902 . . 91 LYS HE3 . 17693 1 980 . 1 1 91 91 LYS C C 13 178.385 0.10 . 1 . 903 . . 91 LYS C . 17693 1 981 . 1 1 91 91 LYS CA C 13 59.668 0.10 . 1 . 890 . . 91 LYS CA . 17693 1 982 . 1 1 91 91 LYS CB C 13 32.687 0.10 . 1 . 892 . . 91 LYS CB . 17693 1 983 . 1 1 91 91 LYS CG C 13 25.486 0.10 . 1 . 895 . . 91 LYS CG . 17693 1 984 . 1 1 91 91 LYS CE C 13 42.307 0.10 . 1 . 900 . . 91 LYS CE . 17693 1 985 . 1 1 91 91 LYS N N 15 119.702 0.10 . 1 . 888 . . 91 LYS N . 17693 1 986 . 1 1 92 92 ALA H H 1 7.454 0.02 . 1 . 905 . . 92 ALA H . 17693 1 987 . 1 1 92 92 ALA HA H 1 2.562 0.02 . 1 . 907 . . 92 ALA HA . 17693 1 988 . 1 1 92 92 ALA HB1 H 1 1.200 0.02 . 1 . 908 . . 92 ALA HB1 . 17693 1 989 . 1 1 92 92 ALA HB2 H 1 1.200 0.02 . 1 . 908 . . 92 ALA HB2 . 17693 1 990 . 1 1 92 92 ALA HB3 H 1 1.200 0.02 . 1 . 908 . . 92 ALA HB3 . 17693 1 991 . 1 1 92 92 ALA C C 13 178.686 0.10 . 1 . 910 . . 92 ALA C . 17693 1 992 . 1 1 92 92 ALA CA C 13 54.716 0.10 . 1 . 906 . . 92 ALA CA . 17693 1 993 . 1 1 92 92 ALA CB C 13 19.420 0.10 . 1 . 909 . . 92 ALA CB . 17693 1 994 . 1 1 92 92 ALA N N 15 122.302 0.10 . 1 . 904 . . 92 ALA N . 17693 1 995 . 1 1 93 93 MET H H 1 8.111 0.02 . 1 . 912 . . 93 MET H . 17693 1 996 . 1 1 93 93 MET HA H 1 3.865 0.02 . 1 . 914 . . 93 MET HA . 17693 1 997 . 1 1 93 93 MET HB2 H 1 2.250 0.02 . 2 . 916 . . 93 MET HB2 . 17693 1 998 . 1 1 93 93 MET HB3 H 1 1.943 0.02 . 2 . 917 . . 93 MET HB3 . 17693 1 999 . 1 1 93 93 MET HG2 H 1 2.435 0.02 . 2 . 919 . . 93 MET HG2 . 17693 1 1000 . 1 1 93 93 MET HG3 H 1 2.239 0.02 . 2 . 920 . . 93 MET HG3 . 17693 1 1001 . 1 1 93 93 MET HE1 H 1 2.097 0.02 . 1 . 921 . . 93 MET HE1 . 17693 1 1002 . 1 1 93 93 MET HE2 H 1 2.097 0.02 . 1 . 921 . . 93 MET HE2 . 17693 1 1003 . 1 1 93 93 MET HE3 H 1 2.097 0.02 . 1 . 921 . . 93 MET HE3 . 17693 1 1004 . 1 1 93 93 MET C C 13 176.973 0.10 . 1 . 923 . . 93 MET C . 17693 1 1005 . 1 1 93 93 MET CA C 13 59.571 0.10 . 1 . 913 . . 93 MET CA . 17693 1 1006 . 1 1 93 93 MET CB C 13 33.335 0.10 . 1 . 915 . . 93 MET CB . 17693 1 1007 . 1 1 93 93 MET CG C 13 31.568 0.10 . 1 . 918 . . 93 MET CG . 17693 1 1008 . 1 1 93 93 MET CE C 13 17.117 0.10 . 1 . 922 . . 93 MET CE . 17693 1 1009 . 1 1 93 93 MET N N 15 115.729 0.10 . 1 . 911 . . 93 MET N . 17693 1 1010 . 1 1 94 94 LYS H H 1 7.884 0.02 . 1 . 925 . . 94 LYS H . 17693 1 1011 . 1 1 94 94 LYS HA H 1 3.950 0.02 . 1 . 927 . . 94 LYS HA . 17693 1 1012 . 1 1 94 94 LYS HB2 H 1 1.867 0.02 . 2 . 929 . . 94 LYS HB2 . 17693 1 1013 . 1 1 94 94 LYS HB3 H 1 1.866 0.02 . 2 . 930 . . 94 LYS HB3 . 17693 1 1014 . 1 1 94 94 LYS HG2 H 1 1.512 0.02 . 2 . 932 . . 94 LYS HG2 . 17693 1 1015 . 1 1 94 94 LYS HG3 H 1 1.452 0.02 . 2 . 933 . . 94 LYS HG3 . 17693 1 1016 . 1 1 94 94 LYS HD2 H 1 1.689 0.02 . 2 . 935 . . 94 LYS HD2 . 17693 1 1017 . 1 1 94 94 LYS HD3 H 1 1.675 0.02 . 2 . 936 . . 94 LYS HD3 . 17693 1 1018 . 1 1 94 94 LYS HE2 H 1 2.964 0.02 . 2 . 937 . . 94 LYS HE2 . 17693 1 1019 . 1 1 94 94 LYS HE3 H 1 2.966 0.02 . 2 . 938 . . 94 LYS HE3 . 17693 1 1020 . 1 1 94 94 LYS C C 13 178.584 0.10 . 1 . 939 . . 94 LYS C . 17693 1 1021 . 1 1 94 94 LYS CA C 13 58.820 0.10 . 1 . 926 . . 94 LYS CA . 17693 1 1022 . 1 1 94 94 LYS CB C 13 32.221 0.10 . 1 . 928 . . 94 LYS CB . 17693 1 1023 . 1 1 94 94 LYS CG C 13 24.938 0.10 . 1 . 931 . . 94 LYS CG . 17693 1 1024 . 1 1 94 94 LYS CD C 13 29.025 0.10 . 1 . 934 . . 94 LYS CD . 17693 1 1025 . 1 1 94 94 LYS N N 15 117.056 0.10 . 1 . 924 . . 94 LYS N . 17693 1 1026 . 1 1 95 95 GLN H H 1 7.441 0.02 . 1 . 941 . . 95 GLN H . 17693 1 1027 . 1 1 95 95 GLN HA H 1 3.979 0.02 . 1 . 943 . . 95 GLN HA . 17693 1 1028 . 1 1 95 95 GLN HB2 H 1 1.233 0.02 . 2 . 945 . . 95 GLN HB2 . 17693 1 1029 . 1 1 95 95 GLN HB3 H 1 1.781 0.02 . 2 . 946 . . 95 GLN HB3 . 17693 1 1030 . 1 1 95 95 GLN HG2 H 1 1.486 0.02 . 2 . 948 . . 95 GLN HG2 . 17693 1 1031 . 1 1 95 95 GLN HG3 H 1 1.846 0.02 . 2 . 949 . . 95 GLN HG3 . 17693 1 1032 . 1 1 95 95 GLN HE21 H 1 6.941 0.02 . 1 . 951 . . 95 GLN HE21 . 17693 1 1033 . 1 1 95 95 GLN HE22 H 1 6.850 0.02 . 1 . 952 . . 95 GLN HE22 . 17693 1 1034 . 1 1 95 95 GLN C C 13 177.555 0.10 . 1 . 953 . . 95 GLN C . 17693 1 1035 . 1 1 95 95 GLN CA C 13 58.057 0.10 . 1 . 942 . . 95 GLN CA . 17693 1 1036 . 1 1 95 95 GLN CB C 13 28.216 0.10 . 1 . 944 . . 95 GLN CB . 17693 1 1037 . 1 1 95 95 GLN CG C 13 32.305 0.10 . 1 . 947 . . 95 GLN CG . 17693 1 1038 . 1 1 95 95 GLN N N 15 116.470 0.10 . 1 . 940 . . 95 GLN N . 17693 1 1039 . 1 1 95 95 GLN NE2 N 15 110.933 0.10 . 1 . 950 . . 95 GLN NE2 . 17693 1 1040 . 1 1 96 96 TYR H H 1 7.206 0.02 . 1 . 955 . . 96 TYR H . 17693 1 1041 . 1 1 96 96 TYR HA H 1 5.059 0.02 . 1 . 957 . . 96 TYR HA . 17693 1 1042 . 1 1 96 96 TYR HB2 H 1 3.483 0.02 . 2 . 959 . . 96 TYR HB2 . 17693 1 1043 . 1 1 96 96 TYR HB3 H 1 2.453 0.02 . 2 . 960 . . 96 TYR HB3 . 17693 1 1044 . 1 1 96 96 TYR HD1 H 1 6.812 0.02 . 3 . 962 . . 96 TYR HD1 . 17693 1 1045 . 1 1 96 96 TYR HD2 H 1 6.811 0.02 . 3 . 968 . . 96 TYR HD2 . 17693 1 1046 . 1 1 96 96 TYR HE1 H 1 6.664 0.02 . 3 . 964 . . 96 TYR HE1 . 17693 1 1047 . 1 1 96 96 TYR HE2 H 1 6.660 0.02 . 3 . 966 . . 96 TYR HE2 . 17693 1 1048 . 1 1 96 96 TYR C C 13 175.744 0.10 . 1 . 969 . . 96 TYR C . 17693 1 1049 . 1 1 96 96 TYR CA C 13 57.785 0.10 . 1 . 956 . . 96 TYR CA . 17693 1 1050 . 1 1 96 96 TYR CB C 13 40.395 0.10 . 1 . 958 . . 96 TYR CB . 17693 1 1051 . 1 1 96 96 TYR CD1 C 13 132.131 0.10 . 3 . 961 . . 96 TYR CD1 . 17693 1 1052 . 1 1 96 96 TYR CD2 C 13 132.131 0.10 . 3 . 967 . . 96 TYR CD2 . 17693 1 1053 . 1 1 96 96 TYR CE1 C 13 118.242 0.10 . 3 . 963 . . 96 TYR CE1 . 17693 1 1054 . 1 1 96 96 TYR CE2 C 13 118.186 0.10 . 3 . 965 . . 96 TYR CE2 . 17693 1 1055 . 1 1 96 96 TYR N N 15 111.017 0.10 . 1 . 954 . . 96 TYR N . 17693 1 1056 . 1 1 97 97 LYS H H 1 8.505 0.02 . 1 . 971 . . 97 LYS H . 17693 1 1057 . 1 1 97 97 LYS HA H 1 3.875 0.02 . 1 . 973 . . 97 LYS HA . 17693 1 1058 . 1 1 97 97 LYS HB2 H 1 2.015 0.02 . 2 . 975 . . 97 LYS HB2 . 17693 1 1059 . 1 1 97 97 LYS HB3 H 1 2.032 0.02 . 2 . 976 . . 97 LYS HB3 . 17693 1 1060 . 1 1 97 97 LYS HG2 H 1 1.513 0.02 . 2 . 978 . . 97 LYS HG2 . 17693 1 1061 . 1 1 97 97 LYS HG3 H 1 1.724 0.02 . 2 . 979 . . 97 LYS HG3 . 17693 1 1062 . 1 1 97 97 LYS HD2 H 1 1.796 0.02 . 1 . 980 . . 97 LYS HD2 . 17693 1 1063 . 1 1 97 97 LYS HD3 H 1 1.796 0.02 . 1 . 981 . . 97 LYS HD3 . 17693 1 1064 . 1 1 97 97 LYS HE2 H 1 3.161 0.02 . 2 . 982 . . 97 LYS HE2 . 17693 1 1065 . 1 1 97 97 LYS HE3 H 1 3.185 0.02 . 2 . 983 . . 97 LYS HE3 . 17693 1 1066 . 1 1 97 97 LYS C C 13 178.066 0.10 . 1 . 984 . . 97 LYS C . 17693 1 1067 . 1 1 97 97 LYS CA C 13 60.350 0.10 . 1 . 972 . . 97 LYS CA . 17693 1 1068 . 1 1 97 97 LYS CB C 13 32.606 0.10 . 1 . 974 . . 97 LYS CB . 17693 1 1069 . 1 1 97 97 LYS CG C 13 25.489 0.10 . 1 . 977 . . 97 LYS CG . 17693 1 1070 . 1 1 97 97 LYS N N 15 121.609 0.10 . 1 . 970 . . 97 LYS N . 17693 1 1071 . 1 1 98 98 GLY H H 1 9.244 0.02 . 1 . 986 . . 98 GLY H . 17693 1 1072 . 1 1 98 98 GLY HA2 H 1 3.663 0.02 . 2 . 988 . . 98 GLY HA2 . 17693 1 1073 . 1 1 98 98 GLY HA3 H 1 4.311 0.02 . 2 . 989 . . 98 GLY HA3 . 17693 1 1074 . 1 1 98 98 GLY C C 13 174.022 0.10 . 1 . 990 . . 98 GLY C . 17693 1 1075 . 1 1 98 98 GLY CA C 13 45.592 0.10 . 1 . 987 . . 98 GLY CA . 17693 1 1076 . 1 1 98 98 GLY N N 15 116.853 0.10 . 1 . 985 . . 98 GLY N . 17693 1 1077 . 1 1 99 99 VAL H H 1 7.932 0.02 . 1 . 992 . . 99 VAL H . 17693 1 1078 . 1 1 99 99 VAL HA H 1 4.074 0.02 . 1 . 994 . . 99 VAL HA . 17693 1 1079 . 1 1 99 99 VAL HB H 1 2.260 0.02 . 1 . 996 . . 99 VAL HB . 17693 1 1080 . 1 1 99 99 VAL HG11 H 1 0.993 0.02 . 2 . 997 . . 99 VAL HG11 . 17693 1 1081 . 1 1 99 99 VAL HG12 H 1 0.993 0.02 . 2 . 997 . . 99 VAL HG12 . 17693 1 1082 . 1 1 99 99 VAL HG13 H 1 0.993 0.02 . 2 . 997 . . 99 VAL HG13 . 17693 1 1083 . 1 1 99 99 VAL HG21 H 1 1.141 0.02 . 2 . 998 . . 99 VAL HG21 . 17693 1 1084 . 1 1 99 99 VAL HG22 H 1 1.141 0.02 . 2 . 998 . . 99 VAL HG22 . 17693 1 1085 . 1 1 99 99 VAL HG23 H 1 1.141 0.02 . 2 . 998 . . 99 VAL HG23 . 17693 1 1086 . 1 1 99 99 VAL CA C 13 61.199 0.10 . 1 . 993 . . 99 VAL CA . 17693 1 1087 . 1 1 99 99 VAL CB C 13 32.447 0.10 . 1 . 995 . . 99 VAL CB . 17693 1 1088 . 1 1 99 99 VAL CG1 C 13 21.319 0.10 . 1 . 999 . . 99 VAL CG1 . 17693 1 1089 . 1 1 99 99 VAL CG2 C 13 23.578 0.10 . 1 . 1000 . . 99 VAL CG2 . 17693 1 1090 . 1 1 99 99 VAL N N 15 122.924 0.10 . 1 . 991 . . 99 VAL N . 17693 1 1091 . 1 1 100 100 PRO HA H 1 4.801 0.02 . 1 . 1002 . . 100 PRO HA . 17693 1 1092 . 1 1 100 100 PRO HB2 H 1 1.827 0.02 . 2 . 1004 . . 100 PRO HB2 . 17693 1 1093 . 1 1 100 100 PRO HB3 H 1 2.017 0.02 . 2 . 1005 . . 100 PRO HB3 . 17693 1 1094 . 1 1 100 100 PRO HG2 H 1 2.256 0.02 . 2 . 1007 . . 100 PRO HG2 . 17693 1 1095 . 1 1 100 100 PRO HG3 H 1 2.033 0.02 . 2 . 1008 . . 100 PRO HG3 . 17693 1 1096 . 1 1 100 100 PRO HD2 H 1 3.658 0.02 . 2 . 1009 . . 100 PRO HD2 . 17693 1 1097 . 1 1 100 100 PRO HD3 H 1 4.209 0.02 . 2 . 1010 . . 100 PRO HD3 . 17693 1 1098 . 1 1 100 100 PRO C C 13 175.556 0.10 . 1 . 1011 . . 100 PRO C . 17693 1 1099 . 1 1 100 100 PRO CB C 13 31.918 0.10 . 1 . 1003 . . 100 PRO CB . 17693 1 1100 . 1 1 100 100 PRO CG C 13 27.398 0.10 . 1 . 1006 . . 100 PRO CG . 17693 1 1101 . 1 1 100 100 PRO CD C 13 50.916 0.10 . 1 . 1001 . . 100 PRO CD . 17693 1 1102 . 1 1 101 101 LEU H H 1 7.590 0.02 . 1 . 1013 . . 101 LEU H . 17693 1 1103 . 1 1 101 101 LEU HA H 1 4.504 0.02 . 1 . 1015 . . 101 LEU HA . 17693 1 1104 . 1 1 101 101 LEU HB2 H 1 1.750 0.02 . 2 . 1017 . . 101 LEU HB2 . 17693 1 1105 . 1 1 101 101 LEU HB3 H 1 1.415 0.02 . 2 . 1018 . . 101 LEU HB3 . 17693 1 1106 . 1 1 101 101 LEU HG H 1 1.472 0.02 . 1 . 1019 . . 101 LEU HG . 17693 1 1107 . 1 1 101 101 LEU HD11 H 1 0.810 0.02 . 2 . 1020 . . 101 LEU HD11 . 17693 1 1108 . 1 1 101 101 LEU HD12 H 1 0.810 0.02 . 2 . 1020 . . 101 LEU HD12 . 17693 1 1109 . 1 1 101 101 LEU HD13 H 1 0.810 0.02 . 2 . 1020 . . 101 LEU HD13 . 17693 1 1110 . 1 1 101 101 LEU HD21 H 1 0.763 0.02 . 2 . 1021 . . 101 LEU HD21 . 17693 1 1111 . 1 1 101 101 LEU HD22 H 1 0.763 0.02 . 2 . 1021 . . 101 LEU HD22 . 17693 1 1112 . 1 1 101 101 LEU HD23 H 1 0.763 0.02 . 2 . 1021 . . 101 LEU HD23 . 17693 1 1113 . 1 1 101 101 LEU C C 13 177.116 0.10 . 1 . 1024 . . 101 LEU C . 17693 1 1114 . 1 1 101 101 LEU CA C 13 53.704 0.10 . 1 . 1014 . . 101 LEU CA . 17693 1 1115 . 1 1 101 101 LEU CB C 13 43.690 0.10 . 1 . 1016 . . 101 LEU CB . 17693 1 1116 . 1 1 101 101 LEU CD1 C 13 24.951 0.10 . 1 . 1022 . . 101 LEU CD1 . 17693 1 1117 . 1 1 101 101 LEU CD2 C 13 25.452 0.10 . 1 . 1023 . . 101 LEU CD2 . 17693 1 1118 . 1 1 101 101 LEU N N 15 122.598 0.10 . 1 . 1012 . . 101 LEU N . 17693 1 1119 . 1 1 102 102 ASP H H 1 9.496 0.02 . 1 . 1026 . . 102 ASP H . 17693 1 1120 . 1 1 102 102 ASP HA H 1 4.332 0.02 . 1 . 1028 . . 102 ASP HA . 17693 1 1121 . 1 1 102 102 ASP HB2 H 1 2.736 0.02 . 2 . 1030 . . 102 ASP HB2 . 17693 1 1122 . 1 1 102 102 ASP HB3 H 1 2.976 0.02 . 2 . 1031 . . 102 ASP HB3 . 17693 1 1123 . 1 1 102 102 ASP C C 13 175.979 0.10 . 1 . 1032 . . 102 ASP C . 17693 1 1124 . 1 1 102 102 ASP CA C 13 55.545 0.10 . 1 . 1027 . . 102 ASP CA . 17693 1 1125 . 1 1 102 102 ASP CB C 13 39.538 0.10 . 1 . 1029 . . 102 ASP CB . 17693 1 1126 . 1 1 102 102 ASP N N 15 127.937 0.10 . 1 . 1025 . . 102 ASP N . 17693 1 1127 . 1 1 103 103 GLY H H 1 8.522 0.02 . 1 . 1034 . . 103 GLY H . 17693 1 1128 . 1 1 103 103 GLY HA2 H 1 4.218 0.02 . 2 . 1036 . . 103 GLY HA2 . 17693 1 1129 . 1 1 103 103 GLY HA3 H 1 3.653 0.02 . 2 . 1037 . . 103 GLY HA3 . 17693 1 1130 . 1 1 103 103 GLY C C 13 173.955 0.10 . 1 . 1038 . . 103 GLY C . 17693 1 1131 . 1 1 103 103 GLY CA C 13 45.220 0.10 . 1 . 1035 . . 103 GLY CA . 17693 1 1132 . 1 1 103 103 GLY N N 15 102.533 0.10 . 1 . 1033 . . 103 GLY N . 17693 1 1133 . 1 1 104 104 ARG H H 1 7.700 0.02 . 1 . 1040 . . 104 ARG H . 17693 1 1134 . 1 1 104 104 ARG HA H 1 4.955 0.02 . 1 . 1042 . . 104 ARG HA . 17693 1 1135 . 1 1 104 104 ARG HB2 H 1 1.925 0.02 . 2 . 1044 . . 104 ARG HB2 . 17693 1 1136 . 1 1 104 104 ARG HB3 H 1 1.865 0.02 . 2 . 1045 . . 104 ARG HB3 . 17693 1 1137 . 1 1 104 104 ARG HG2 H 1 1.512 0.02 . 2 . 1047 . . 104 ARG HG2 . 17693 1 1138 . 1 1 104 104 ARG HG3 H 1 1.667 0.02 . 2 . 1048 . . 104 ARG HG3 . 17693 1 1139 . 1 1 104 104 ARG HD2 H 1 3.117 0.02 . 2 . 1050 . . 104 ARG HD2 . 17693 1 1140 . 1 1 104 104 ARG HD3 H 1 3.116 0.02 . 2 . 1051 . . 104 ARG HD3 . 17693 1 1141 . 1 1 104 104 ARG HE H 1 6.916 0.02 . 1 . 1053 . . 104 ARG HE . 17693 1 1142 . 1 1 104 104 ARG HH11 H 1 6.535 0.02 . 1 . 1054 . . 104 ARG HH11 . 17693 1 1143 . 1 1 104 104 ARG HH12 H 1 6.652 0.02 . 1 . 1055 . . 104 ARG HH12 . 17693 1 1144 . 1 1 104 104 ARG CA C 13 53.163 0.10 . 1 . 1041 . . 104 ARG CA . 17693 1 1145 . 1 1 104 104 ARG CB C 13 31.679 0.10 . 1 . 1043 . . 104 ARG CB . 17693 1 1146 . 1 1 104 104 ARG CG C 13 26.687 0.10 . 1 . 1046 . . 104 ARG CG . 17693 1 1147 . 1 1 104 104 ARG CD C 13 42.899 0.10 . 1 . 1049 . . 104 ARG CD . 17693 1 1148 . 1 1 104 104 ARG N N 15 120.918 0.10 . 1 . 1039 . . 104 ARG N . 17693 1 1149 . 1 1 104 104 ARG NE N 15 84.600 0.10 . 1 . 1052 . . 104 ARG NE . 17693 1 1150 . 1 1 105 105 PRO HA H 1 4.345 0.02 . 1 . 1058 . . 105 PRO HA . 17693 1 1151 . 1 1 105 105 PRO HB2 H 1 1.865 0.02 . 2 . 1060 . . 105 PRO HB2 . 17693 1 1152 . 1 1 105 105 PRO HB3 H 1 2.028 0.02 . 2 . 1061 . . 105 PRO HB3 . 17693 1 1153 . 1 1 105 105 PRO HG2 H 1 2.203 0.02 . 2 . 1063 . . 105 PRO HG2 . 17693 1 1154 . 1 1 105 105 PRO HG3 H 1 2.210 0.02 . 2 . 1064 . . 105 PRO HG3 . 17693 1 1155 . 1 1 105 105 PRO HD2 H 1 3.706 0.02 . 2 . 1065 . . 105 PRO HD2 . 17693 1 1156 . 1 1 105 105 PRO HD3 H 1 3.965 0.02 . 2 . 1066 . . 105 PRO HD3 . 17693 1 1157 . 1 1 105 105 PRO C C 13 176.507 0.10 . 1 . 1067 . . 105 PRO C . 17693 1 1158 . 1 1 105 105 PRO CA C 13 61.901 0.10 . 1 . 1057 . . 105 PRO CA . 17693 1 1159 . 1 1 105 105 PRO CB C 13 31.561 0.10 . 1 . 1059 . . 105 PRO CB . 17693 1 1160 . 1 1 105 105 PRO CG C 13 27.670 0.10 . 1 . 1062 . . 105 PRO CG . 17693 1 1161 . 1 1 105 105 PRO CD C 13 51.178 0.10 . 1 . 1056 . . 105 PRO CD . 17693 1 1162 . 1 1 106 106 MET H H 1 8.390 0.02 . 1 . 1069 . . 106 MET H . 17693 1 1163 . 1 1 106 106 MET HA H 1 4.424 0.02 . 1 . 1071 . . 106 MET HA . 17693 1 1164 . 1 1 106 106 MET HB2 H 1 2.339 0.02 . 2 . 1073 . . 106 MET HB2 . 17693 1 1165 . 1 1 106 106 MET HB3 H 1 2.341 0.02 . 2 . 1074 . . 106 MET HB3 . 17693 1 1166 . 1 1 106 106 MET HG2 H 1 2.617 0.02 . 2 . 1076 . . 106 MET HG2 . 17693 1 1167 . 1 1 106 106 MET HG3 H 1 2.509 0.02 . 2 . 1077 . . 106 MET HG3 . 17693 1 1168 . 1 1 106 106 MET HE1 H 1 1.998 0.02 . 1 . 1078 . . 106 MET HE1 . 17693 1 1169 . 1 1 106 106 MET HE2 H 1 1.998 0.02 . 1 . 1078 . . 106 MET HE2 . 17693 1 1170 . 1 1 106 106 MET HE3 H 1 1.998 0.02 . 1 . 1078 . . 106 MET HE3 . 17693 1 1171 . 1 1 106 106 MET C C 13 175.592 0.10 . 1 . 1080 . . 106 MET C . 17693 1 1172 . 1 1 106 106 MET CA C 13 57.193 0.10 . 1 . 1070 . . 106 MET CA . 17693 1 1173 . 1 1 106 106 MET CB C 13 33.856 0.10 . 1 . 1072 . . 106 MET CB . 17693 1 1174 . 1 1 106 106 MET CG C 13 31.810 0.10 . 1 . 1075 . . 106 MET CG . 17693 1 1175 . 1 1 106 106 MET CE C 13 16.689 0.10 . 1 . 1079 . . 106 MET CE . 17693 1 1176 . 1 1 106 106 MET N N 15 127.846 0.10 . 1 . 1068 . . 106 MET N . 17693 1 1177 . 1 1 107 107 ASP H H 1 8.221 0.02 . 1 . 1082 . . 107 ASP H . 17693 1 1178 . 1 1 107 107 ASP HA H 1 5.235 0.02 . 1 . 1084 . . 107 ASP HA . 17693 1 1179 . 1 1 107 107 ASP HB2 H 1 2.544 0.02 . 2 . 1086 . . 107 ASP HB2 . 17693 1 1180 . 1 1 107 107 ASP HB3 H 1 2.792 0.02 . 2 . 1087 . . 107 ASP HB3 . 17693 1 1181 . 1 1 107 107 ASP C C 13 175.450 0.10 . 1 . 1088 . . 107 ASP C . 17693 1 1182 . 1 1 107 107 ASP CA C 13 53.075 0.10 . 1 . 1083 . . 107 ASP CA . 17693 1 1183 . 1 1 107 107 ASP CB C 13 42.551 0.10 . 1 . 1085 . . 107 ASP CB . 17693 1 1184 . 1 1 107 107 ASP N N 15 127.228 0.10 . 1 . 1081 . . 107 ASP N . 17693 1 1185 . 1 1 108 108 ILE H H 1 7.725 0.02 . 1 . 1090 . . 108 ILE H . 17693 1 1186 . 1 1 108 108 ILE HA H 1 4.995 0.02 . 1 . 1092 . . 108 ILE HA . 17693 1 1187 . 1 1 108 108 ILE HB H 1 1.528 0.02 . 1 . 1094 . . 108 ILE HB . 17693 1 1188 . 1 1 108 108 ILE HG12 H 1 1.318 0.02 . 2 . 1098 . . 108 ILE HG12 . 17693 1 1189 . 1 1 108 108 ILE HG13 H 1 1.308 0.02 . 2 . 1099 . . 108 ILE HG13 . 17693 1 1190 . 1 1 108 108 ILE HG21 H 1 0.901 0.02 . 1 . 1095 . . 108 ILE HG21 . 17693 1 1191 . 1 1 108 108 ILE HG22 H 1 0.901 0.02 . 1 . 1095 . . 108 ILE HG22 . 17693 1 1192 . 1 1 108 108 ILE HG23 H 1 0.901 0.02 . 1 . 1095 . . 108 ILE HG23 . 17693 1 1193 . 1 1 108 108 ILE HD11 H 1 1.129 0.02 . 1 . 1100 . . 108 ILE HD11 . 17693 1 1194 . 1 1 108 108 ILE HD12 H 1 1.129 0.02 . 1 . 1100 . . 108 ILE HD12 . 17693 1 1195 . 1 1 108 108 ILE HD13 H 1 1.129 0.02 . 1 . 1100 . . 108 ILE HD13 . 17693 1 1196 . 1 1 108 108 ILE C C 13 173.626 0.10 . 1 . 1102 . . 108 ILE C . 17693 1 1197 . 1 1 108 108 ILE CA C 13 61.033 0.10 . 1 . 1091 . . 108 ILE CA . 17693 1 1198 . 1 1 108 108 ILE CB C 13 43.209 0.10 . 1 . 1093 . . 108 ILE CB . 17693 1 1199 . 1 1 108 108 ILE CG1 C 13 28.607 0.10 . 1 . 1097 . . 108 ILE CG1 . 17693 1 1200 . 1 1 108 108 ILE CG2 C 13 20.324 0.10 . 1 . 1096 . . 108 ILE CG2 . 17693 1 1201 . 1 1 108 108 ILE CD1 C 13 14.792 0.10 . 1 . 1101 . . 108 ILE CD1 . 17693 1 1202 . 1 1 108 108 ILE N N 15 120.908 0.10 . 1 . 1089 . . 108 ILE N . 17693 1 1203 . 1 1 109 109 GLN H H 1 8.639 0.02 . 1 . 1104 . . 109 GLN H . 17693 1 1204 . 1 1 109 109 GLN HA H 1 4.762 0.02 . 1 . 1106 . . 109 GLN HA . 17693 1 1205 . 1 1 109 109 GLN HB2 H 1 1.842 0.02 . 2 . 1108 . . 109 GLN HB2 . 17693 1 1206 . 1 1 109 109 GLN HB3 H 1 2.116 0.02 . 2 . 1109 . . 109 GLN HB3 . 17693 1 1207 . 1 1 109 109 GLN HG2 H 1 2.324 0.02 . 2 . 1111 . . 109 GLN HG2 . 17693 1 1208 . 1 1 109 109 GLN HG3 H 1 2.322 0.02 . 2 . 1112 . . 109 GLN HG3 . 17693 1 1209 . 1 1 109 109 GLN HE21 H 1 7.816 0.02 . 1 . 1114 . . 109 GLN HE21 . 17693 1 1210 . 1 1 109 109 GLN HE22 H 1 6.790 0.02 . 1 . 1115 . . 109 GLN HE22 . 17693 1 1211 . 1 1 109 109 GLN C C 13 173.848 0.10 . 1 . 1116 . . 109 GLN C . 17693 1 1212 . 1 1 109 109 GLN CA C 13 53.767 0.10 . 1 . 1105 . . 109 GLN CA . 17693 1 1213 . 1 1 109 109 GLN CB C 13 32.980 0.10 . 1 . 1107 . . 109 GLN CB . 17693 1 1214 . 1 1 109 109 GLN CG C 13 33.539 0.10 . 1 . 1110 . . 109 GLN CG . 17693 1 1215 . 1 1 109 109 GLN N N 15 124.222 0.10 . 1 . 1103 . . 109 GLN N . 17693 1 1216 . 1 1 109 109 GLN NE2 N 15 112.761 0.10 . 1 . 1113 . . 109 GLN NE2 . 17693 1 1217 . 1 1 110 110 LEU H H 1 8.657 0.02 . 1 . 1118 . . 110 LEU H . 17693 1 1218 . 1 1 110 110 LEU HA H 1 4.809 0.02 . 1 . 1120 . . 110 LEU HA . 17693 1 1219 . 1 1 110 110 LEU HB2 H 1 1.697 0.02 . 2 . 1122 . . 110 LEU HB2 . 17693 1 1220 . 1 1 110 110 LEU HB3 H 1 1.416 0.02 . 2 . 1123 . . 110 LEU HB3 . 17693 1 1221 . 1 1 110 110 LEU HG H 1 1.444 0.02 . 1 . 1125 . . 110 LEU HG . 17693 1 1222 . 1 1 110 110 LEU HD11 H 1 0.819 0.02 . 2 . 1126 . . 110 LEU HD11 . 17693 1 1223 . 1 1 110 110 LEU HD12 H 1 0.819 0.02 . 2 . 1126 . . 110 LEU HD12 . 17693 1 1224 . 1 1 110 110 LEU HD13 H 1 0.819 0.02 . 2 . 1126 . . 110 LEU HD13 . 17693 1 1225 . 1 1 110 110 LEU HD21 H 1 0.811 0.02 . 2 . 1127 . . 110 LEU HD21 . 17693 1 1226 . 1 1 110 110 LEU HD22 H 1 0.811 0.02 . 2 . 1127 . . 110 LEU HD22 . 17693 1 1227 . 1 1 110 110 LEU HD23 H 1 0.811 0.02 . 2 . 1127 . . 110 LEU HD23 . 17693 1 1228 . 1 1 110 110 LEU C C 13 176.656 0.10 . 1 . 1129 . . 110 LEU C . 17693 1 1229 . 1 1 110 110 LEU CA C 13 55.013 0.10 . 1 . 1119 . . 110 LEU CA . 17693 1 1230 . 1 1 110 110 LEU CB C 13 43.242 0.10 . 1 . 1121 . . 110 LEU CB . 17693 1 1231 . 1 1 110 110 LEU CG C 13 29.044 0.10 . 1 . 1124 . . 110 LEU CG . 17693 1 1232 . 1 1 110 110 LEU CD1 C 13 24.653 0.10 . 1 . 1128 . . 110 LEU CD1 . 17693 1 1233 . 1 1 110 110 LEU N N 15 125.824 0.10 . 1 . 1117 . . 110 LEU N . 17693 1 1234 . 1 1 111 111 VAL H H 1 8.699 0.02 . 1 . 1131 . . 111 VAL H . 17693 1 1235 . 1 1 111 111 VAL HA H 1 4.145 0.02 . 1 . 1133 . . 111 VAL HA . 17693 1 1236 . 1 1 111 111 VAL HB H 1 1.966 0.02 . 1 . 1135 . . 111 VAL HB . 17693 1 1237 . 1 1 111 111 VAL HG11 H 1 0.916 0.02 . 2 . 1136 . . 111 VAL HG11 . 17693 1 1238 . 1 1 111 111 VAL HG12 H 1 0.916 0.02 . 2 . 1136 . . 111 VAL HG12 . 17693 1 1239 . 1 1 111 111 VAL HG13 H 1 0.916 0.02 . 2 . 1136 . . 111 VAL HG13 . 17693 1 1240 . 1 1 111 111 VAL HG21 H 1 0.847 0.02 . 2 . 1137 . . 111 VAL HG21 . 17693 1 1241 . 1 1 111 111 VAL HG22 H 1 0.847 0.02 . 2 . 1137 . . 111 VAL HG22 . 17693 1 1242 . 1 1 111 111 VAL HG23 H 1 0.847 0.02 . 2 . 1137 . . 111 VAL HG23 . 17693 1 1243 . 1 1 111 111 VAL C C 13 175.136 0.10 . 1 . 1140 . . 111 VAL C . 17693 1 1244 . 1 1 111 111 VAL CA C 13 62.138 0.10 . 1 . 1132 . . 111 VAL CA . 17693 1 1245 . 1 1 111 111 VAL CB C 13 33.145 0.10 . 1 . 1134 . . 111 VAL CB . 17693 1 1246 . 1 1 111 111 VAL CG1 C 13 21.411 0.10 . 1 . 1138 . . 111 VAL CG1 . 17693 1 1247 . 1 1 111 111 VAL CG2 C 13 21.315 0.10 . 1 . 1139 . . 111 VAL CG2 . 17693 1 1248 . 1 1 111 111 VAL N N 15 126.799 0.10 . 1 . 1130 . . 111 VAL N . 17693 1 1249 . 1 1 112 112 ALA H H 1 8.532 0.02 . 1 . 1142 . . 112 ALA H . 17693 1 1250 . 1 1 112 112 ALA HA H 1 4.448 0.02 . 1 . 1144 . . 112 ALA HA . 17693 1 1251 . 1 1 112 112 ALA HB1 H 1 1.428 0.02 . 1 . 1145 . . 112 ALA HB1 . 17693 1 1252 . 1 1 112 112 ALA HB2 H 1 1.428 0.02 . 1 . 1145 . . 112 ALA HB2 . 17693 1 1253 . 1 1 112 112 ALA HB3 H 1 1.428 0.02 . 1 . 1145 . . 112 ALA HB3 . 17693 1 1254 . 1 1 112 112 ALA C C 13 177.205 0.10 . 1 . 1147 . . 112 ALA C . 17693 1 1255 . 1 1 112 112 ALA CA C 13 52.201 0.10 . 1 . 1143 . . 112 ALA CA . 17693 1 1256 . 1 1 112 112 ALA CB C 13 19.614 0.10 . 1 . 1146 . . 112 ALA CB . 17693 1 1257 . 1 1 112 112 ALA N N 15 128.854 0.10 . 1 . 1141 . . 112 ALA N . 17693 1 1258 . 1 1 113 113 SER H H 1 8.388 0.02 . 1 . 1149 . . 113 SER H . 17693 1 1259 . 1 1 113 113 SER HA H 1 4.445 0.02 . 1 . 1151 . . 113 SER HA . 17693 1 1260 . 1 1 113 113 SER HB2 H 1 3.872 0.02 . 1 . 1153 . . 113 SER HB2 . 17693 1 1261 . 1 1 113 113 SER HB3 H 1 3.872 0.02 . 1 . 1154 . . 113 SER HB3 . 17693 1 1262 . 1 1 113 113 SER C C 13 174.348 0.10 . 1 . 1155 . . 113 SER C . 17693 1 1263 . 1 1 113 113 SER CA C 13 58.355 0.10 . 1 . 1150 . . 113 SER CA . 17693 1 1264 . 1 1 113 113 SER CB C 13 64.076 0.10 . 1 . 1152 . . 113 SER CB . 17693 1 1265 . 1 1 113 113 SER N N 15 115.662 0.10 . 1 . 1148 . . 113 SER N . 17693 1 1266 . 1 1 114 114 GLN H H 1 8.542 0.02 . 1 . 1157 . . 114 GLN H . 17693 1 1267 . 1 1 114 114 GLN HA H 1 4.380 0.02 . 1 . 1159 . . 114 GLN HA . 17693 1 1268 . 1 1 114 114 GLN HB2 H 1 2.025 0.02 . 2 . 1161 . . 114 GLN HB2 . 17693 1 1269 . 1 1 114 114 GLN HB3 H 1 2.125 0.02 . 2 . 1162 . . 114 GLN HB3 . 17693 1 1270 . 1 1 114 114 GLN HG2 H 1 2.377 0.02 . 1 . 1164 . . 114 GLN HG2 . 17693 1 1271 . 1 1 114 114 GLN HG3 H 1 2.377 0.02 . 1 . 1165 . . 114 GLN HG3 . 17693 1 1272 . 1 1 114 114 GLN HE21 H 1 6.875 0.02 . 1 . 1167 . . 114 GLN HE21 . 17693 1 1273 . 1 1 114 114 GLN HE22 H 1 7.617 0.02 . 1 . 1168 . . 114 GLN HE22 . 17693 1 1274 . 1 1 114 114 GLN C C 13 175.970 0.10 . 1 . 1169 . . 114 GLN C . 17693 1 1275 . 1 1 114 114 GLN CA C 13 56.292 0.10 . 1 . 1158 . . 114 GLN CA . 17693 1 1276 . 1 1 114 114 GLN CB C 13 29.410 0.10 . 1 . 1160 . . 114 GLN CB . 17693 1 1277 . 1 1 114 114 GLN CG C 13 34.088 0.10 . 1 . 1163 . . 114 GLN CG . 17693 1 1278 . 1 1 114 114 GLN N N 15 122.187 0.10 . 1 . 1156 . . 114 GLN N . 17693 1 1279 . 1 1 114 114 GLN NE2 N 15 112.336 0.10 . 1 . 1166 . . 114 GLN NE2 . 17693 1 1280 . 1 1 115 115 ILE H H 1 8.124 0.02 . 1 . 1171 . . 115 ILE H . 17693 1 1281 . 1 1 115 115 ILE HA H 1 4.139 0.02 . 1 . 1173 . . 115 ILE HA . 17693 1 1282 . 1 1 115 115 ILE HB H 1 1.838 0.02 . 1 . 1175 . . 115 ILE HB . 17693 1 1283 . 1 1 115 115 ILE HG12 H 1 1.455 0.02 . 2 . 1179 . . 115 ILE HG12 . 17693 1 1284 . 1 1 115 115 ILE HG13 H 1 1.173 0.02 . 2 . 1180 . . 115 ILE HG13 . 17693 1 1285 . 1 1 115 115 ILE HG21 H 1 0.882 0.02 . 1 . 1176 . . 115 ILE HG21 . 17693 1 1286 . 1 1 115 115 ILE HG22 H 1 0.882 0.02 . 1 . 1176 . . 115 ILE HG22 . 17693 1 1287 . 1 1 115 115 ILE HG23 H 1 0.882 0.02 . 1 . 1176 . . 115 ILE HG23 . 17693 1 1288 . 1 1 115 115 ILE HD11 H 1 0.851 0.02 . 1 . 1181 . . 115 ILE HD11 . 17693 1 1289 . 1 1 115 115 ILE HD12 H 1 0.851 0.02 . 1 . 1181 . . 115 ILE HD12 . 17693 1 1290 . 1 1 115 115 ILE HD13 H 1 0.851 0.02 . 1 . 1181 . . 115 ILE HD13 . 17693 1 1291 . 1 1 115 115 ILE C C 13 175.707 0.10 . 1 . 1183 . . 115 ILE C . 17693 1 1292 . 1 1 115 115 ILE CA C 13 61.425 0.10 . 1 . 1172 . . 115 ILE CA . 17693 1 1293 . 1 1 115 115 ILE CB C 13 38.991 0.10 . 1 . 1174 . . 115 ILE CB . 17693 1 1294 . 1 1 115 115 ILE CG1 C 13 27.553 0.10 . 1 . 1178 . . 115 ILE CG1 . 17693 1 1295 . 1 1 115 115 ILE CG2 C 13 17.407 0.10 . 1 . 1177 . . 115 ILE CG2 . 17693 1 1296 . 1 1 115 115 ILE CD1 C 13 13.039 0.10 . 1 . 1182 . . 115 ILE CD1 . 17693 1 1297 . 1 1 115 115 ILE N N 15 121.071 0.10 . 1 . 1170 . . 115 ILE N . 17693 1 1298 . 1 1 116 116 ASP H H 1 8.322 0.02 . 1 . 1185 . . 116 ASP H . 17693 1 1299 . 1 1 116 116 ASP HA H 1 4.655 0.02 . 1 . 1187 . . 116 ASP HA . 17693 1 1300 . 1 1 116 116 ASP HB2 H 1 2.774 0.02 . 2 . 1189 . . 116 ASP HB2 . 17693 1 1301 . 1 1 116 116 ASP HB3 H 1 2.676 0.02 . 2 . 1190 . . 116 ASP HB3 . 17693 1 1302 . 1 1 116 116 ASP C C 13 176.411 0.10 . 1 . 1191 . . 116 ASP C . 17693 1 1303 . 1 1 116 116 ASP CA C 13 54.308 0.10 . 1 . 1186 . . 116 ASP CA . 17693 1 1304 . 1 1 116 116 ASP CB C 13 41.403 0.10 . 1 . 1188 . . 116 ASP CB . 17693 1 1305 . 1 1 116 116 ASP N N 15 123.702 0.10 . 1 . 1184 . . 116 ASP N . 17693 1 1306 . 1 1 117 117 LEU H H 1 8.215 0.02 . 1 . 1193 . . 117 LEU H . 17693 1 1307 . 1 1 117 117 LEU HA H 1 4.231 0.02 . 1 . 1195 . . 117 LEU HA . 17693 1 1308 . 1 1 117 117 LEU HB2 H 1 1.648 0.02 . 2 . 1197 . . 117 LEU HB2 . 17693 1 1309 . 1 1 117 117 LEU HB3 H 1 1.603 0.02 . 2 . 1198 . . 117 LEU HB3 . 17693 1 1310 . 1 1 117 117 LEU HG H 1 1.632 0.02 . 1 . 1200 . . 117 LEU HG . 17693 1 1311 . 1 1 117 117 LEU HD11 H 1 0.847 0.02 . 2 . 1201 . . 117 LEU HD11 . 17693 1 1312 . 1 1 117 117 LEU HD12 H 1 0.847 0.02 . 2 . 1201 . . 117 LEU HD12 . 17693 1 1313 . 1 1 117 117 LEU HD13 H 1 0.847 0.02 . 2 . 1201 . . 117 LEU HD13 . 17693 1 1314 . 1 1 117 117 LEU HD21 H 1 0.914 0.02 . 2 . 1202 . . 117 LEU HD21 . 17693 1 1315 . 1 1 117 117 LEU HD22 H 1 0.914 0.02 . 2 . 1202 . . 117 LEU HD22 . 17693 1 1316 . 1 1 117 117 LEU HD23 H 1 0.914 0.02 . 2 . 1202 . . 117 LEU HD23 . 17693 1 1317 . 1 1 117 117 LEU C C 13 177.789 0.10 . 1 . 1205 . . 117 LEU C . 17693 1 1318 . 1 1 117 117 LEU CA C 13 55.643 0.10 . 1 . 1194 . . 117 LEU CA . 17693 1 1319 . 1 1 117 117 LEU CB C 13 42.266 0.10 . 1 . 1196 . . 117 LEU CB . 17693 1 1320 . 1 1 117 117 LEU CG C 13 27.153 0.10 . 1 . 1199 . . 117 LEU CG . 17693 1 1321 . 1 1 117 117 LEU CD1 C 13 23.179 0.10 . 1 . 1203 . . 117 LEU CD1 . 17693 1 1322 . 1 1 117 117 LEU CD2 C 13 25.061 0.10 . 1 . 1204 . . 117 LEU CD2 . 17693 1 1323 . 1 1 117 117 LEU N N 15 122.794 0.10 . 1 . 1192 . . 117 LEU N . 17693 1 1324 . 1 1 118 118 GLU H H 1 8.223 0.02 . 1 . 1207 . . 118 GLU H . 17693 1 1325 . 1 1 118 118 GLU HA H 1 4.152 0.02 . 1 . 1208 . . 118 GLU HA . 17693 1 1326 . 1 1 118 118 GLU HB2 H 1 1.913 0.02 . 2 . 1210 . . 118 GLU HB2 . 17693 1 1327 . 1 1 118 118 GLU HB3 H 1 1.906 0.02 . 2 . 1211 . . 118 GLU HB3 . 17693 1 1328 . 1 1 118 118 GLU HG2 H 1 2.239 0.02 . 2 . 1213 . . 118 GLU HG2 . 17693 1 1329 . 1 1 118 118 GLU HG3 H 1 2.153 0.02 . 2 . 1214 . . 118 GLU HG3 . 17693 1 1330 . 1 1 118 118 GLU C C 13 176.513 0.10 . 1 . 1215 . . 118 GLU C . 17693 1 1331 . 1 1 118 118 GLU CB C 13 30.265 0.10 . 1 . 1209 . . 118 GLU CB . 17693 1 1332 . 1 1 118 118 GLU CG C 13 36.191 0.10 . 1 . 1212 . . 118 GLU CG . 17693 1 1333 . 1 1 118 118 GLU N N 15 119.436 0.10 . 1 . 1206 . . 118 GLU N . 17693 1 1334 . 1 1 119 119 HIS H H 1 8.188 0.02 . 1 . 1217 . . 119 HIS H . 17693 1 1335 . 1 1 119 119 HIS HA H 1 4.630 0.02 . 1 . 1218 . . 119 HIS HA . 17693 1 1336 . 1 1 119 119 HIS HB2 H 1 3.153 0.02 . 2 . 1219 . . 119 HIS HB2 . 17693 1 1337 . 1 1 119 119 HIS HB3 H 1 3.064 0.02 . 2 . 1220 . . 119 HIS HB3 . 17693 1 1338 . 1 1 119 119 HIS N N 15 117.952 0.10 . 1 . 1216 . . 119 HIS N . 17693 1 1339 . 1 1 120 120 HIS C C 13 173.715 0.10 . 1 . 1221 . . 120 HIS C . 17693 1 1340 . 1 1 121 121 HIS H H 1 8.303 0.02 . 1 . 1223 . . 121 HIS H . 17693 1 1341 . 1 1 121 121 HIS HA H 1 4.494 0.02 . 1 . 1224 . . 121 HIS HA . 17693 1 1342 . 1 1 121 121 HIS HB2 H 1 3.225 0.02 . 2 . 1225 . . 121 HIS HB2 . 17693 1 1343 . 1 1 121 121 HIS HB3 H 1 3.144 0.02 . 2 . 1226 . . 121 HIS HB3 . 17693 1 1344 . 1 1 121 121 HIS N N 15 125.227 0.10 . 1 . 1222 . . 121 HIS N . 17693 1 1345 . 2 2 1 1 GLY HA2 H 1 4.021 0.02 . 2 . 1228 . . 1 GLY HA2 . 17693 1 1346 . 2 2 1 1 GLY HA3 H 1 4.023 0.02 . 2 . 1229 . . 1 GLY HA3 . 17693 1 1347 . 2 2 1 1 GLY CA C 13 43.407 0.10 . 1 . 1227 . . 1 GLY CA . 17693 1 1348 . 2 2 2 2 PRO HA H 1 4.510 0.02 . 1 . 1232 . . 2 PRO HA . 17693 1 1349 . 2 2 2 2 PRO HB2 H 1 2.350 0.02 . 2 . 1234 . . 2 PRO HB2 . 17693 1 1350 . 2 2 2 2 PRO HB3 H 1 1.987 0.02 . 2 . 1235 . . 2 PRO HB3 . 17693 1 1351 . 2 2 2 2 PRO HG2 H 1 2.048 0.02 . 2 . 1237 . . 2 PRO HG2 . 17693 1 1352 . 2 2 2 2 PRO HG3 H 1 2.046 0.02 . 2 . 1238 . . 2 PRO HG3 . 17693 1 1353 . 2 2 2 2 PRO HD2 H 1 3.607 0.02 . 1 . 1239 . . 2 PRO HD2 . 17693 1 1354 . 2 2 2 2 PRO HD3 H 1 3.607 0.02 . 1 . 1240 . . 2 PRO HD3 . 17693 1 1355 . 2 2 2 2 PRO C C 13 177.014 0.10 . 1 . 1241 . . 2 PRO C . 17693 1 1356 . 2 2 2 2 PRO CA C 13 63.126 0.10 . 1 . 1231 . . 2 PRO CA . 17693 1 1357 . 2 2 2 2 PRO CB C 13 32.341 0.10 . 1 . 1233 . . 2 PRO CB . 17693 1 1358 . 2 2 2 2 PRO CG C 13 27.124 0.10 . 1 . 1236 . . 2 PRO CG . 17693 1 1359 . 2 2 2 2 PRO CD C 13 49.651 0.10 . 1 . 1230 . . 2 PRO CD . 17693 1 1360 . 2 2 3 3 LEU H H 1 8.554 0.02 . 1 . 1243 . . 3 LEU H . 17693 1 1361 . 2 2 3 3 LEU HA H 1 4.387 0.02 . 1 . 1245 . . 3 LEU HA . 17693 1 1362 . 2 2 3 3 LEU HB2 H 1 1.716 0.02 . 2 . 1247 . . 3 LEU HB2 . 17693 1 1363 . 2 2 3 3 LEU HB3 H 1 1.674 0.02 . 2 . 1248 . . 3 LEU HB3 . 17693 1 1364 . 2 2 3 3 LEU HG H 1 1.509 0.02 . 1 . 1249 . . 3 LEU HG . 17693 1 1365 . 2 2 3 3 LEU HD11 H 1 0.973 0.02 . 2 . 1250 . . 3 LEU HD11 . 17693 1 1366 . 2 2 3 3 LEU HD12 H 1 0.973 0.02 . 2 . 1250 . . 3 LEU HD12 . 17693 1 1367 . 2 2 3 3 LEU HD13 H 1 0.973 0.02 . 2 . 1250 . . 3 LEU HD13 . 17693 1 1368 . 2 2 3 3 LEU HD21 H 1 0.931 0.02 . 2 . 1251 . . 3 LEU HD21 . 17693 1 1369 . 2 2 3 3 LEU HD22 H 1 0.931 0.02 . 2 . 1251 . . 3 LEU HD22 . 17693 1 1370 . 2 2 3 3 LEU HD23 H 1 0.931 0.02 . 2 . 1251 . . 3 LEU HD23 . 17693 1 1371 . 2 2 3 3 LEU CA C 13 55.521 0.10 . 1 . 1244 . . 3 LEU CA . 17693 1 1372 . 2 2 3 3 LEU CB C 13 42.308 0.10 . 1 . 1246 . . 3 LEU CB . 17693 1 1373 . 2 2 3 3 LEU CD1 C 13 24.332 0.10 . 1 . 1252 . . 3 LEU CD1 . 17693 1 1374 . 2 2 3 3 LEU CD2 C 13 23.574 0.10 . 1 . 1253 . . 3 LEU CD2 . 17693 1 1375 . 2 2 3 3 LEU N N 15 122.375 0.10 . 1 . 1242 . . 3 LEU N . 17693 1 1376 . 2 2 4 4 GLY HA2 H 1 4.043 0.02 . 2 . 1255 . . 4 GLY HA2 . 17693 1 1377 . 2 2 4 4 GLY HA3 H 1 4.029 0.02 . 2 . 1256 . . 4 GLY HA3 . 17693 1 1378 . 2 2 4 4 GLY CA C 13 45.392 0.10 . 1 . 1254 . . 4 GLY CA . 17693 1 1379 . 2 2 5 5 SER HB2 H 1 3.908 0.02 . 2 . 1257 . . 5 SER HB2 . 17693 1 1380 . 2 2 5 5 SER HB3 H 1 3.933 0.02 . 2 . 1258 . . 5 SER HB3 . 17693 1 1381 . 2 2 6 6 SER HA H 1 4.548 0.02 . 1 . 1260 . . 6 SER HA . 17693 1 1382 . 2 2 6 6 SER HB2 H 1 3.958 0.02 . 2 . 1262 . . 6 SER HB2 . 17693 1 1383 . 2 2 6 6 SER HB3 H 1 3.926 0.02 . 2 . 1263 . . 6 SER HB3 . 17693 1 1384 . 2 2 6 6 SER C C 13 174.389 0.10 . 1 . 1264 . . 6 SER C . 17693 1 1385 . 2 2 6 6 SER CA C 13 58.539 0.10 . 1 . 1259 . . 6 SER CA . 17693 1 1386 . 2 2 6 6 SER CB C 13 63.917 0.10 . 1 . 1261 . . 6 SER CB . 17693 1 1387 . 2 2 7 7 CYS H H 1 8.376 0.02 . 1 . 1266 . . 7 CYS H . 17693 1 1388 . 2 2 7 7 CYS HA H 1 4.561 0.02 . 1 . 1268 . . 7 CYS HA . 17693 1 1389 . 2 2 7 7 CYS HB2 H 1 2.976 0.02 . 2 . 1270 . . 7 CYS HB2 . 17693 1 1390 . 2 2 7 7 CYS HB3 H 1 2.983 0.02 . 2 . 1271 . . 7 CYS HB3 . 17693 1 1391 . 2 2 7 7 CYS CA C 13 58.539 0.10 . 1 . 1267 . . 7 CYS CA . 17693 1 1392 . 2 2 7 7 CYS CB C 13 28.071 0.10 . 1 . 1269 . . 7 CYS CB . 17693 1 1393 . 2 2 7 7 CYS N N 15 120.862 0.10 . 1 . 1265 . . 7 CYS N . 17693 1 1394 . 2 2 8 8 LYS HG3 H 1 1.467 0.02 . 1 . 1272 . . 8 LYS HG3 . 17693 1 1395 . 2 2 8 8 LYS HD2 H 1 1.703 0.02 . 1 . 1274 . . 8 LYS HD2 . 17693 1 1396 . 2 2 8 8 LYS HD3 H 1 1.703 0.02 . 1 . 1275 . . 8 LYS HD3 . 17693 1 1397 . 2 2 8 8 LYS HE2 H 1 3.031 0.02 . 2 . 1277 . . 8 LYS HE2 . 17693 1 1398 . 2 2 8 8 LYS HE3 H 1 2.986 0.02 . 2 . 1278 . . 8 LYS HE3 . 17693 1 1399 . 2 2 8 8 LYS CD C 13 28.851 0.10 . 1 . 1273 . . 8 LYS CD . 17693 1 1400 . 2 2 8 8 LYS CE C 13 42.195 0.10 . 1 . 1276 . . 8 LYS CE . 17693 1 1401 . 2 2 9 9 THR HB H 1 4.141 0.02 . 1 . 1281 . . 9 THR HB . 17693 1 1402 . 2 2 9 9 THR CA C 13 61.678 0.10 . 1 . 1279 . . 9 THR CA . 17693 1 1403 . 2 2 9 9 THR CB C 13 70.105 0.10 . 1 . 1280 . . 9 THR CB . 17693 1 1404 . 2 2 9 9 THR CG2 C 13 22.235 0.10 . 1 . 1282 . . 9 THR CG2 . 17693 1 1405 . 2 2 10 10 SER CB C 13 65.167 0.10 . 1 . 1283 . . 10 SER CB . 17693 1 1406 . 2 2 11 11 TRP HA H 1 4.551 0.02 . 1 . 1285 . . 11 TRP HA . 17693 1 1407 . 2 2 11 11 TRP HB2 H 1 3.008 0.02 . 2 . 1287 . . 11 TRP HB2 . 17693 1 1408 . 2 2 11 11 TRP HB3 H 1 3.348 0.02 . 2 . 1288 . . 11 TRP HB3 . 17693 1 1409 . 2 2 11 11 TRP HD1 H 1 7.167 0.02 . 1 . 1291 . . 11 TRP HD1 . 17693 1 1410 . 2 2 11 11 TRP HE1 H 1 9.974 0.02 . 1 . 1295 . . 11 TRP HE1 . 17693 1 1411 . 2 2 11 11 TRP HE3 H 1 7.490 0.02 . 1 . 1292 . . 11 TRP HE3 . 17693 1 1412 . 2 2 11 11 TRP HZ2 H 1 7.221 0.02 . 1 . 1298 . . 11 TRP HZ2 . 17693 1 1413 . 2 2 11 11 TRP HZ3 H 1 7.272 0.02 . 1 . 1296 . . 11 TRP HZ3 . 17693 1 1414 . 2 2 11 11 TRP HH2 H 1 6.720 0.02 . 1 . 1299 . . 11 TRP HH2 . 17693 1 1415 . 2 2 11 11 TRP CA C 13 57.620 0.10 . 1 . 1284 . . 11 TRP CA . 17693 1 1416 . 2 2 11 11 TRP CB C 13 28.221 0.10 . 1 . 1286 . . 11 TRP CB . 17693 1 1417 . 2 2 11 11 TRP CD1 C 13 127.535 0.10 . 1 . 1289 . . 11 TRP CD1 . 17693 1 1418 . 2 2 11 11 TRP CZ2 C 13 115.581 0.10 . 1 . 1294 . . 11 TRP CZ2 . 17693 1 1419 . 2 2 11 11 TRP CZ3 C 13 120.450 0.10 . 1 . 1293 . . 11 TRP CZ3 . 17693 1 1420 . 2 2 11 11 TRP CH2 C 13 123.041 0.10 . 1 . 1297 . . 11 TRP CH2 . 17693 1 1421 . 2 2 11 11 TRP NE1 N 15 130.799 0.10 . 1 . 1290 . . 11 TRP NE1 . 17693 1 1422 . 2 2 12 12 ALA HB1 H 1 1.361 0.02 . 1 . 1300 . . 12 ALA HB1 . 17693 1 1423 . 2 2 12 12 ALA HB2 H 1 1.361 0.02 . 1 . 1300 . . 12 ALA HB2 . 17693 1 1424 . 2 2 12 12 ALA HB3 H 1 1.361 0.02 . 1 . 1300 . . 12 ALA HB3 . 17693 1 1425 . 2 2 13 13 ASP C C 13 179.357 0.10 . 1 . 1301 . . 13 ASP C . 17693 1 1426 . 2 2 14 14 ARG H H 1 8.110 0.02 . 1 . 1303 . . 14 ARG H . 17693 1 1427 . 2 2 14 14 ARG HE H 1 7.045 0.02 . 1 . 1305 . . 14 ARG HE . 17693 1 1428 . 2 2 14 14 ARG HH11 H 1 6.880 0.02 . 1 . 1306 . . 14 ARG HH11 . 17693 1 1429 . 2 2 14 14 ARG HH21 H 1 6.805 0.02 . 1 . 1307 . . 14 ARG HH21 . 17693 1 1430 . 2 2 14 14 ARG N N 15 121.907 0.10 . 1 . 1302 . . 14 ARG N . 17693 1 1431 . 2 2 14 14 ARG NE N 15 84.330 0.10 . 1 . 1304 . . 14 ARG NE . 17693 1 1432 . 2 2 15 15 VAL HB H 1 1.375 0.02 . 1 . 1308 . . 15 VAL HB . 17693 1 1433 . 2 2 15 15 VAL HG11 H 1 -0.411 0.02 . 2 . 1309 . . 15 VAL HG11 . 17693 1 1434 . 2 2 15 15 VAL HG12 H 1 -0.411 0.02 . 2 . 1309 . . 15 VAL HG12 . 17693 1 1435 . 2 2 15 15 VAL HG13 H 1 -0.411 0.02 . 2 . 1309 . . 15 VAL HG13 . 17693 1 1436 . 2 2 15 15 VAL HG21 H 1 0.275 0.02 . 2 . 1310 . . 15 VAL HG21 . 17693 1 1437 . 2 2 15 15 VAL HG22 H 1 0.275 0.02 . 2 . 1310 . . 15 VAL HG22 . 17693 1 1438 . 2 2 15 15 VAL HG23 H 1 0.275 0.02 . 2 . 1310 . . 15 VAL HG23 . 17693 1 1439 . 2 2 15 15 VAL CG1 C 13 21.452 0.10 . 1 . 1311 . . 15 VAL CG1 . 17693 1 1440 . 2 2 15 15 VAL CG2 C 13 22.566 0.10 . 1 . 1312 . . 15 VAL CG2 . 17693 1 1441 . 2 2 16 16 ARG HE H 1 7.383 0.02 . 1 . 1314 . . 16 ARG HE . 17693 1 1442 . 2 2 16 16 ARG HH11 H 1 6.492 0.02 . 1 . 1315 . . 16 ARG HH11 . 17693 1 1443 . 2 2 16 16 ARG HH12 H 1 6.575 0.02 . 1 . 1316 . . 16 ARG HH12 . 17693 1 1444 . 2 2 16 16 ARG HH21 H 1 6.806 0.02 . 1 . 1317 . . 16 ARG HH21 . 17693 1 1445 . 2 2 16 16 ARG HH22 H 1 6.883 0.02 . 1 . 1318 . . 16 ARG HH22 . 17693 1 1446 . 2 2 16 16 ARG NE N 15 86.223 0.10 . 1 . 1313 . . 16 ARG NE . 17693 1 1447 . 2 2 17 17 GLU HG2 H 1 2.364 0.02 . 2 . 1320 . . 17 GLU HG2 . 17693 1 1448 . 2 2 17 17 GLU HG3 H 1 2.214 0.02 . 2 . 1321 . . 17 GLU HG3 . 17693 1 1449 . 2 2 17 17 GLU CG C 13 36.095 0.10 . 1 . 1319 . . 17 GLU CG . 17693 1 1450 . 2 2 18 18 ALA HB1 H 1 1.481 0.02 . 1 . 1322 . . 18 ALA HB1 . 17693 1 1451 . 2 2 18 18 ALA HB2 H 1 1.481 0.02 . 1 . 1322 . . 18 ALA HB2 . 17693 1 1452 . 2 2 18 18 ALA HB3 H 1 1.481 0.02 . 1 . 1322 . . 18 ALA HB3 . 17693 1 1453 . 2 2 19 19 ALA HB1 H 1 1.661 0.02 . 1 . 1323 . . 19 ALA HB1 . 17693 1 1454 . 2 2 19 19 ALA HB2 H 1 1.661 0.02 . 1 . 1323 . . 19 ALA HB2 . 17693 1 1455 . 2 2 19 19 ALA HB3 H 1 1.661 0.02 . 1 . 1323 . . 19 ALA HB3 . 17693 1 1456 . 2 2 19 19 ALA CB C 13 18.899 0.10 . 1 . 1324 . . 19 ALA CB . 17693 1 1457 . 2 2 20 20 ALA HB1 H 1 1.553 0.02 . 1 . 1325 . . 20 ALA HB1 . 17693 1 1458 . 2 2 20 20 ALA HB2 H 1 1.553 0.02 . 1 . 1325 . . 20 ALA HB2 . 17693 1 1459 . 2 2 20 20 ALA HB3 H 1 1.553 0.02 . 1 . 1325 . . 20 ALA HB3 . 17693 1 1460 . 2 2 21 21 GLN HG2 H 1 2.525 0.02 . 2 . 1326 . . 21 GLN HG2 . 17693 1 1461 . 2 2 21 21 GLN HG3 H 1 2.560 0.02 . 2 . 1327 . . 21 GLN HG3 . 17693 1 1462 . 2 2 21 21 GLN HE21 H 1 7.540 0.02 . 1 . 1329 . . 21 GLN HE21 . 17693 1 1463 . 2 2 21 21 GLN HE22 H 1 6.864 0.02 . 1 . 1330 . . 21 GLN HE22 . 17693 1 1464 . 2 2 21 21 GLN NE2 N 15 112.181 0.10 . 1 . 1328 . . 21 GLN NE2 . 17693 1 1465 . 2 2 22 22 ARG HG2 H 1 1.789 0.02 . 2 . 1332 . . 22 ARG HG2 . 17693 1 1466 . 2 2 22 22 ARG HG3 H 1 1.815 0.02 . 2 . 1333 . . 22 ARG HG3 . 17693 1 1467 . 2 2 22 22 ARG HD3 H 1 3.222 0.02 . 1 . 1335 . . 22 ARG HD3 . 17693 1 1468 . 2 2 22 22 ARG HE H 1 7.452 0.02 . 1 . 1337 . . 22 ARG HE . 17693 1 1469 . 2 2 22 22 ARG CG C 13 26.939 0.10 . 1 . 1331 . . 22 ARG CG . 17693 1 1470 . 2 2 22 22 ARG CD C 13 44.153 0.10 . 1 . 1334 . . 22 ARG CD . 17693 1 1471 . 2 2 22 22 ARG NE N 15 84.454 0.10 . 1 . 1336 . . 22 ARG NE . 17693 1 1472 . 2 2 23 23 ARG HG2 H 1 1.671 0.02 . 2 . 1339 . . 23 ARG HG2 . 17693 1 1473 . 2 2 23 23 ARG HG3 H 1 1.676 0.02 . 2 . 1340 . . 23 ARG HG3 . 17693 1 1474 . 2 2 23 23 ARG HD2 H 1 3.243 0.02 . 2 . 1342 . . 23 ARG HD2 . 17693 1 1475 . 2 2 23 23 ARG HD3 H 1 3.257 0.02 . 2 . 1343 . . 23 ARG HD3 . 17693 1 1476 . 2 2 23 23 ARG HE H 1 7.242 0.02 . 1 . 1345 . . 23 ARG HE . 17693 1 1477 . 2 2 23 23 ARG CG C 13 27.591 0.10 . 1 . 1338 . . 23 ARG CG . 17693 1 1478 . 2 2 23 23 ARG CD C 13 43.332 0.10 . 1 . 1341 . . 23 ARG CD . 17693 1 1479 . 2 2 23 23 ARG NE N 15 85.281 0.10 . 1 . 1344 . . 23 ARG NE . 17693 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 17693 _Assigned_chem_shift_list.ID 2 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/2yka/ebi/orf57_3.bmrb.csh' _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 HSQC 1 $sample_1 solution 17693 2 2 HNCA 1 $sample_1 solution 17693 2 3 CBCA(CO)NH 1 $sample_1 solution 17693 2 4 HNCACB 1 $sample_1 solution 17693 2 5 HNCO 1 $sample_1 solution 17693 2 6 HN(CA)CO 1 $sample_1 solution 17693 2 7 TOCSY-HSQC 1 $sample_1 solution 17693 2 8 HBHA(CO)NH 1 $sample_1 solution 17693 2 9 HCCH-TOCSY 1 $sample_1 solution 17693 2 10 CCH-TOCSY 1 $sample_1 solution 17693 2 11 NOESY-HSQC 1 $sample_1 solution 17693 2 12 'Filtered 13C-NOESY' 1 $sample_1 solution 17693 2 13 HSQC 2 $sample_2 solution 17693 2 14 HNCA 2 $sample_2 solution 17693 2 15 CBCA(CO)NH 2 $sample_2 solution 17693 2 16 HNCACB 2 $sample_2 solution 17693 2 17 HNCO 2 $sample_2 solution 17693 2 18 TOCSY-HSQC 2 $sample_2 solution 17693 2 19 HBHA(CO)NH 2 $sample_2 solution 17693 2 20 NOESY-HSQC 2 $sample_2 solution 17693 2 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 3 3 SER C C 13 178.015 0.10 . 1 . 1 . . 3 SER C . 17693 2 2 . 1 1 4 4 MET H H 1 8.446 0.02 . 1 . 3 . . 4 MET H . 17693 2 3 . 1 1 4 4 MET C C 13 174.326 0.10 . 1 . 6 . . 4 MET C . 17693 2 4 . 1 1 4 4 MET N N 15 109.953 0.10 . 1 . 2 . . 4 MET N . 17693 2 5 . 1 1 5 5 THR H H 1 8.267 0.02 . 1 . 8 . . 5 THR H . 17693 2 6 . 1 1 5 5 THR HA H 1 4.546 0.02 . 1 . 10 . . 5 THR HA . 17693 2 7 . 1 1 5 5 THR C C 13 174.792 0.10 . 1 . 15 . . 5 THR C . 17693 2 8 . 1 1 5 5 THR CA C 13 58.479 0.10 . 1 . 9 . . 5 THR CA . 17693 2 9 . 1 1 5 5 THR CB C 13 63.905 0.10 . 1 . 11 . . 5 THR CB . 17693 2 10 . 1 1 5 5 THR N N 15 115.540 0.10 . 1 . 7 . . 5 THR N . 17693 2 11 . 1 1 6 6 GLY H H 1 8.471 0.02 . 1 . 17 . . 6 GLY H . 17693 2 12 . 1 1 6 6 GLY N N 15 117.634 0.10 . 1 . 16 . . 6 GLY N . 17693 2 13 . 1 1 7 7 GLY C C 13 174.408 0.10 . 1 . 20 . . 7 GLY C . 17693 2 14 . 1 1 8 8 GLN H H 1 8.495 0.02 . 1 . 22 . . 8 GLN H . 17693 2 15 . 1 1 8 8 GLN HA H 1 4.451 0.02 . 1 . 24 . . 8 GLN HA . 17693 2 16 . 1 1 8 8 GLN HB2 H 1 1.798 0.02 . 2 . 26 . . 8 GLN HB2 . 17693 2 17 . 1 1 8 8 GLN HB3 H 1 1.881 0.02 . 2 . 27 . . 8 GLN HB3 . 17693 2 18 . 1 1 8 8 GLN HG2 H 1 1.463 0.02 . 1 . 29 . . 8 GLN HG2 . 17693 2 19 . 1 1 8 8 GLN C C 13 176.334 0.10 . 1 . 33 . . 8 GLN C . 17693 2 20 . 1 1 8 8 GLN CA C 13 56.269 0.10 . 1 . 23 . . 8 GLN CA . 17693 2 21 . 1 1 8 8 GLN CB C 13 33.027 0.10 . 1 . 25 . . 8 GLN CB . 17693 2 22 . 1 1 8 8 GLN CG C 13 24.645 0.10 . 1 . 28 . . 8 GLN CG . 17693 2 23 . 1 1 8 8 GLN N N 15 123.996 0.10 . 1 . 21 . . 8 GLN N . 17693 2 24 . 1 1 9 9 GLN H H 1 8.197 0.02 . 1 . 35 . . 9 GLN H . 17693 2 25 . 1 1 9 9 GLN HA H 1 4.459 0.02 . 1 . 36 . . 9 GLN HA . 17693 2 26 . 1 1 9 9 GLN HG2 H 1 1.304 0.02 . 1 . 37 . . 9 GLN HG2 . 17693 2 27 . 1 1 9 9 GLN N N 15 116.666 0.10 . 1 . 34 . . 9 GLN N . 17693 2 28 . 1 1 10 10 MET H H 1 9.637 0.02 . 1 . 43 . . 10 MET H . 17693 2 29 . 1 1 10 10 MET HA H 1 4.543 0.02 . 1 . 45 . . 10 MET HA . 17693 2 30 . 1 1 10 10 MET HB2 H 1 4.580 0.02 . 2 . 46 . . 10 MET HB2 . 17693 2 31 . 1 1 10 10 MET HB3 H 1 4.105 0.02 . 2 . 47 . . 10 MET HB3 . 17693 2 32 . 1 1 10 10 MET C C 13 174.228 0.10 . 1 . 48 . . 10 MET C . 17693 2 33 . 1 1 10 10 MET CA C 13 57.783 0.10 . 1 . 44 . . 10 MET CA . 17693 2 34 . 1 1 10 10 MET N N 15 117.098 0.10 . 1 . 42 . . 10 MET N . 17693 2 35 . 1 1 11 11 GLY H H 1 9.194 0.02 . 1 . 50 . . 11 GLY H . 17693 2 36 . 1 1 11 11 GLY C C 13 174.469 0.10 . 1 . 53 . . 11 GLY C . 17693 2 37 . 1 1 11 11 GLY N N 15 124.633 0.10 . 1 . 49 . . 11 GLY N . 17693 2 38 . 1 1 12 12 ARG H H 1 9.139 0.02 . 1 . 55 . . 12 ARG H . 17693 2 39 . 1 1 12 12 ARG HA H 1 3.983 0.02 . 1 . 57 . . 12 ARG HA . 17693 2 40 . 1 1 12 12 ARG C C 13 179.301 0.10 . 1 . 66 . . 12 ARG C . 17693 2 41 . 1 1 12 12 ARG CB C 13 17.736 0.10 . 1 . 58 . . 12 ARG CB . 17693 2 42 . 1 1 12 12 ARG N N 15 122.622 0.10 . 1 . 54 . . 12 ARG N . 17693 2 43 . 1 1 13 13 ASP H H 1 7.743 0.02 . 1 . 68 . . 13 ASP H . 17693 2 44 . 1 1 13 13 ASP HA H 1 4.386 0.02 . 1 . 70 . . 13 ASP HA . 17693 2 45 . 1 1 13 13 ASP HB2 H 1 2.888 0.02 . 2 . 72 . . 13 ASP HB2 . 17693 2 46 . 1 1 13 13 ASP HB3 H 1 2.555 0.02 . 2 . 73 . . 13 ASP HB3 . 17693 2 47 . 1 1 13 13 ASP CA C 13 57.323 0.10 . 1 . 69 . . 13 ASP CA . 17693 2 48 . 1 1 13 13 ASP CB C 13 40.160 0.10 . 1 . 71 . . 13 ASP CB . 17693 2 49 . 1 1 13 13 ASP N N 15 116.437 0.10 . 1 . 67 . . 13 ASP N . 17693 2 50 . 1 1 14 14 PRO HA H 1 3.992 0.02 . 1 . 76 . . 14 PRO HA . 17693 2 51 . 1 1 14 14 PRO HB2 H 1 1.811 0.02 . 2 . 78 . . 14 PRO HB2 . 17693 2 52 . 1 1 14 14 PRO HB3 H 1 1.925 0.02 . 2 . 79 . . 14 PRO HB3 . 17693 2 53 . 1 1 14 14 PRO HG2 H 1 1.478 0.02 . 2 . 81 . . 14 PRO HG2 . 17693 2 54 . 1 1 14 14 PRO HG3 H 1 1.884 0.02 . 2 . 82 . . 14 PRO HG3 . 17693 2 55 . 1 1 14 14 PRO HD2 H 1 3.238 0.02 . 2 . 83 . . 14 PRO HD2 . 17693 2 56 . 1 1 14 14 PRO HD3 H 1 3.176 0.02 . 2 . 84 . . 14 PRO HD3 . 17693 2 57 . 1 1 14 14 PRO C C 13 179.791 0.10 . 1 . 85 . . 14 PRO C . 17693 2 58 . 1 1 14 14 PRO CA C 13 59.824 0.10 . 1 . 75 . . 14 PRO CA . 17693 2 59 . 1 1 14 14 PRO CB C 13 29.026 0.10 . 1 . 77 . . 14 PRO CB . 17693 2 60 . 1 1 14 14 PRO CG C 13 28.294 0.10 . 1 . 80 . . 14 PRO CG . 17693 2 61 . 1 1 14 14 PRO CD C 13 43.822 0.10 . 1 . 74 . . 14 PRO CD . 17693 2 62 . 1 1 15 15 ASP H H 1 8.233 0.02 . 1 . 87 . . 15 ASP H . 17693 2 63 . 1 1 15 15 ASP HA H 1 3.209 0.02 . 1 . 89 . . 15 ASP HA . 17693 2 64 . 1 1 15 15 ASP C C 13 177.905 0.10 . 1 . 93 . . 15 ASP C . 17693 2 65 . 1 1 15 15 ASP CA C 13 66.711 0.10 . 1 . 88 . . 15 ASP CA . 17693 2 66 . 1 1 15 15 ASP CB C 13 30.350 0.10 . 1 . 90 . . 15 ASP CB . 17693 2 67 . 1 1 15 15 ASP N N 15 123.264 0.10 . 1 . 86 . . 15 ASP N . 17693 2 68 . 1 1 16 16 LYS H H 1 8.234 0.02 . 1 . 95 . . 16 LYS H . 17693 2 69 . 1 1 16 16 LYS HA H 1 4.017 0.02 . 1 . 97 . . 16 LYS HA . 17693 2 70 . 1 1 16 16 LYS HB2 H 1 1.829 0.02 . 2 . 99 . . 16 LYS HB2 . 17693 2 71 . 1 1 16 16 LYS HB3 H 1 1.918 0.02 . 2 . 100 . . 16 LYS HB3 . 17693 2 72 . 1 1 16 16 LYS HG2 H 1 1.769 0.02 . 2 . 102 . . 16 LYS HG2 . 17693 2 73 . 1 1 16 16 LYS HG3 H 1 1.727 0.02 . 2 . 103 . . 16 LYS HG3 . 17693 2 74 . 1 1 16 16 LYS HD2 H 1 3.255 0.02 . 2 . 105 . . 16 LYS HD2 . 17693 2 75 . 1 1 16 16 LYS HD3 H 1 3.166 0.02 . 2 . 106 . . 16 LYS HD3 . 17693 2 76 . 1 1 16 16 LYS C C 13 179.871 0.10 . 1 . 110 . . 16 LYS C . 17693 2 77 . 1 1 16 16 LYS CA C 13 60.635 0.10 . 1 . 96 . . 16 LYS CA . 17693 2 78 . 1 1 16 16 LYS CB C 13 30.339 0.10 . 1 . 98 . . 16 LYS CB . 17693 2 79 . 1 1 16 16 LYS CG C 13 27.895 0.10 . 1 . 101 . . 16 LYS CG . 17693 2 80 . 1 1 16 16 LYS CD C 13 43.635 0.10 . 1 . 104 . . 16 LYS CD . 17693 2 81 . 1 1 16 16 LYS N N 15 119.465 0.10 . 1 . 94 . . 16 LYS N . 17693 2 82 . 1 1 17 17 TRP H H 1 7.964 0.02 . 1 . 112 . . 17 TRP H . 17693 2 83 . 1 1 17 17 TRP HA H 1 4.099 0.02 . 1 . 114 . . 17 TRP HA . 17693 2 84 . 1 1 17 17 TRP HB2 H 1 2.075 0.02 . 2 . 116 . . 17 TRP HB2 . 17693 2 85 . 1 1 17 17 TRP HB3 H 1 2.079 0.02 . 2 . 117 . . 17 TRP HB3 . 17693 2 86 . 1 1 17 17 TRP C C 13 178.405 0.10 . 1 . 130 . . 17 TRP C . 17693 2 87 . 1 1 17 17 TRP CA C 13 59.064 0.10 . 1 . 113 . . 17 TRP CA . 17693 2 88 . 1 1 17 17 TRP CB C 13 29.608 0.10 . 1 . 115 . . 17 TRP CB . 17693 2 89 . 1 1 17 17 TRP N N 15 119.747 0.10 . 1 . 111 . . 17 TRP N . 17693 2 90 . 1 1 18 18 GLN H H 1 7.958 0.02 . 1 . 132 . . 18 GLN H . 17693 2 91 . 1 1 18 18 GLN HA H 1 4.166 0.02 . 1 . 134 . . 18 GLN HA . 17693 2 92 . 1 1 18 18 GLN C C 13 180.738 0.10 . 1 . 143 . . 18 GLN C . 17693 2 93 . 1 1 18 18 GLN CA C 13 54.764 0.10 . 1 . 133 . . 18 GLN CA . 17693 2 94 . 1 1 18 18 GLN CB C 13 18.415 0.10 . 1 . 135 . . 18 GLN CB . 17693 2 95 . 1 1 18 18 GLN N N 15 122.811 0.10 . 1 . 131 . . 18 GLN N . 17693 2 96 . 1 1 19 19 HIS H H 1 8.623 0.02 . 1 . 145 . . 19 HIS H . 17693 2 97 . 1 1 19 19 HIS HA H 1 4.162 0.02 . 1 . 147 . . 19 HIS HA . 17693 2 98 . 1 1 19 19 HIS C C 13 179.019 0.10 . 1 . 150 . . 19 HIS C . 17693 2 99 . 1 1 19 19 HIS CA C 13 54.323 0.10 . 1 . 146 . . 19 HIS CA . 17693 2 100 . 1 1 19 19 HIS N N 15 120.271 0.10 . 1 . 144 . . 19 HIS N . 17693 2 101 . 1 1 20 20 ASP H H 1 7.736 0.02 . 1 . 152 . . 20 ASP H . 17693 2 102 . 1 1 20 20 ASP HA H 1 4.278 0.02 . 1 . 154 . . 20 ASP HA . 17693 2 103 . 1 1 20 20 ASP C C 13 178.651 0.10 . 1 . 158 . . 20 ASP C . 17693 2 104 . 1 1 20 20 ASP CA C 13 53.674 0.10 . 1 . 153 . . 20 ASP CA . 17693 2 105 . 1 1 20 20 ASP CB C 13 18.450 0.10 . 1 . 155 . . 20 ASP CB . 17693 2 106 . 1 1 20 20 ASP N N 15 120.162 0.10 . 1 . 151 . . 20 ASP N . 17693 2 107 . 1 1 21 21 LEU H H 1 7.652 0.02 . 1 . 160 . . 21 LEU H . 17693 2 108 . 1 1 21 21 LEU HA H 1 4.321 0.02 . 1 . 162 . . 21 LEU HA . 17693 2 109 . 1 1 21 21 LEU HB2 H 1 2.271 0.02 . 2 . 164 . . 21 LEU HB2 . 17693 2 110 . 1 1 21 21 LEU HB3 H 1 2.100 0.02 . 2 . 165 . . 21 LEU HB3 . 17693 2 111 . 1 1 21 21 LEU C C 13 176.106 0.10 . 1 . 171 . . 21 LEU C . 17693 2 112 . 1 1 21 21 LEU CA C 13 56.010 0.10 . 1 . 161 . . 21 LEU CA . 17693 2 113 . 1 1 21 21 LEU CB C 13 28.856 0.10 . 1 . 163 . . 21 LEU CB . 17693 2 114 . 1 1 21 21 LEU CG C 13 33.727 0.10 . 1 . 166 . . 21 LEU CG . 17693 2 115 . 1 1 21 21 LEU N N 15 115.793 0.10 . 1 . 159 . . 21 LEU N . 17693 2 116 . 1 1 22 22 PHE H H 1 7.707 0.02 . 1 . 173 . . 22 PHE H . 17693 2 117 . 1 1 22 22 PHE HA H 1 4.377 0.02 . 1 . 175 . . 22 PHE HA . 17693 2 118 . 1 1 22 22 PHE HB2 H 1 1.899 0.02 . 2 . 177 . . 22 PHE HB2 . 17693 2 119 . 1 1 22 22 PHE HB3 H 1 1.995 0.02 . 2 . 178 . . 22 PHE HB3 . 17693 2 120 . 1 1 22 22 PHE HD2 H 1 3.258 0.02 . 3 . 184 . . 22 PHE HD2 . 17693 2 121 . 1 1 22 22 PHE C C 13 175.253 0.10 . 1 . 185 . . 22 PHE C . 17693 2 122 . 1 1 22 22 PHE CA C 13 56.409 0.10 . 1 . 174 . . 22 PHE CA . 17693 2 123 . 1 1 22 22 PHE CB C 13 30.567 0.10 . 1 . 176 . . 22 PHE CB . 17693 2 124 . 1 1 22 22 PHE N N 15 120.399 0.10 . 1 . 172 . . 22 PHE N . 17693 2 125 . 1 1 23 23 ASP H H 1 7.899 0.02 . 1 . 187 . . 23 ASP H . 17693 2 126 . 1 1 23 23 ASP HA H 1 4.236 0.02 . 1 . 189 . . 23 ASP HA . 17693 2 127 . 1 1 23 23 ASP HB2 H 1 1.767 0.02 . 2 . 191 . . 23 ASP HB2 . 17693 2 128 . 1 1 23 23 ASP HB3 H 1 1.910 0.02 . 2 . 192 . . 23 ASP HB3 . 17693 2 129 . 1 1 23 23 ASP CA C 13 57.173 0.10 . 1 . 188 . . 23 ASP CA . 17693 2 130 . 1 1 23 23 ASP CB C 13 31.568 0.10 . 1 . 190 . . 23 ASP CB . 17693 2 131 . 1 1 23 23 ASP N N 15 127.684 0.10 . 1 . 186 . . 23 ASP N . 17693 2 stop_ save_