################################### # 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 16657 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16657 1 2 '3D CBCA(CO)NH' . . . 16657 1 3 '3D HNCACB' . . . 16657 1 4 '3D C(CO)NH' . . . 16657 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $NMRView . . 16657 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 MET H H 1 8.512 0.03 . 1 . . . . 1 M HN . 16657 1 2 . 1 1 3 3 MET HA H 1 4.351 0.03 . 1 . . . . 1 M HA . 16657 1 3 . 1 1 3 3 MET CA C 13 54.900 0.4 . 1 . . . . 1 M CA . 16657 1 4 . 1 1 3 3 MET CB C 13 32.310 0.4 . 1 . . . . 1 M CB . 16657 1 5 . 1 1 3 3 MET CG C 13 31.570 0.4 . 1 . . . . 1 M CG . 16657 1 6 . 1 1 3 3 MET N N 15 122.450 0.4 . 1 . . . . 1 M N . 16657 1 7 . 1 1 4 4 THR H H 1 8.198 0.03 . 1 . . . . 2 T HN . 16657 1 8 . 1 1 4 4 THR HA H 1 4.348 0.03 . 1 . . . . 2 T HA . 16657 1 9 . 1 1 4 4 THR CA C 13 59.488 0.4 . 1 . . . . 2 T CA . 16657 1 10 . 1 1 4 4 THR CB C 13 69.205 0.4 . 1 . . . . 2 T CB . 16657 1 11 . 1 1 4 4 THR N N 15 119.130 0.4 . 1 . . . . 2 T N . 16657 1 12 . 1 1 5 5 PRO HA H 1 4.223 0.03 . 1 . . . . 3 P HA . 16657 1 13 . 1 1 5 5 PRO CA C 13 62.732 0.4 . 1 . . . . 3 P CA . 16657 1 14 . 1 1 5 5 PRO CB C 13 31.820 0.4 . 1 . . . . 3 P CB . 16657 1 15 . 1 1 5 5 PRO CD C 13 50.771 0.4 . 1 . . . . 3 P CD . 16657 1 16 . 1 1 5 5 PRO CG C 13 27.049 0.4 . 1 . . . . 3 P CG . 16657 1 17 . 1 1 5 5 PRO N N 15 139.477 0.4 . 1 . . . . 3 P N . 16657 1 18 . 1 1 6 6 SER H H 1 8.417 0.03 . 1 . . . . 4 S HN . 16657 1 19 . 1 1 6 6 SER HA H 1 4.232 0.03 . 1 . . . . 4 S HA . 16657 1 20 . 1 1 6 6 SER CA C 13 57.825 0.4 . 1 . . . . 4 S CA . 16657 1 21 . 1 1 6 6 SER CB C 13 63.226 0.4 . 1 . . . . 4 S CB . 16657 1 22 . 1 1 6 6 SER N N 15 116.980 0.4 . 1 . . . . 4 S N . 16657 1 23 . 1 1 7 7 THR H H 1 8.104 0.03 . 1 . . . . 5 T HN . 16657 1 24 . 1 1 7 7 THR HA H 1 4.371 0.03 . 1 . . . . 5 T HA . 16657 1 25 . 1 1 7 7 THR CA C 13 59.350 0.4 . 1 . . . . 5 T CA . 16657 1 26 . 1 1 7 7 THR CB C 13 69.320 0.4 . 1 . . . . 5 T CB . 16657 1 27 . 1 1 7 7 THR N N 15 118.710 0.4 . 1 . . . . 5 T N . 16657 1 28 . 1 1 8 8 PRO HA H 1 4.465 0.03 . 1 . . . . 6 P HA . 16657 1 29 . 1 1 8 8 PRO CA C 13 61.175 0.4 . 1 . . . . 6 P CA . 16657 1 30 . 1 1 8 8 PRO CB C 13 30.426 0.4 . 1 . . . . 6 P CB . 16657 1 31 . 1 1 8 8 PRO N N 15 140.920 0.4 . 1 . . . . 6 P N . 16657 1 32 . 1 1 9 9 PRO HA H 1 4.186 0.03 . 1 . . . . 7 P HA . 16657 1 33 . 1 1 9 9 PRO CA C 13 62.502 0.4 . 1 . . . . 7 P CA . 16657 1 34 . 1 1 9 9 PRO CB C 13 31.660 0.4 . 1 . . . . 7 P CB . 16657 1 35 . 1 1 9 9 PRO CD C 13 50.035 0.4 . 1 . . . . 7 P CD . 16657 1 36 . 1 1 9 9 PRO CG C 13 27.018 0.4 . 1 . . . . 7 P CG . 16657 1 37 . 1 1 9 9 PRO N N 15 135.729 0.4 . 1 . . . . 7 P N . 16657 1 38 . 1 1 10 10 ARG H H 1 8.387 0.03 . 1 . . . . 8 R HN . 16657 1 39 . 1 1 10 10 ARG HA H 1 4.070 0.03 . 1 . . . . 8 R HA . 16657 1 40 . 1 1 10 10 ARG CA C 13 55.680 0.4 . 1 . . . . 8 R CA . 16657 1 41 . 1 1 10 10 ARG CB C 13 30.330 0.4 . 1 . . . . 8 R CB . 16657 1 42 . 1 1 10 10 ARG CD C 13 42.860 0.4 . 1 . . . . 8 R CD . 16657 1 43 . 1 1 10 10 ARG CG C 13 26.770 0.4 . 1 . . . . 8 R CG . 16657 1 44 . 1 1 10 10 ARG N N 15 121.390 0.4 . 1 . . . . 8 R N . 16657 1 45 . 1 1 11 11 SER H H 1 8.271 0.03 . 1 . . . . 9 S HN . 16657 1 46 . 1 1 11 11 SER HA H 1 4.200 0.03 . 1 . . . . 9 S HA . 16657 1 47 . 1 1 11 11 SER CA C 13 57.780 0.4 . 1 . . . . 9 S CA . 16657 1 48 . 1 1 11 11 SER CB C 13 63.310 0.4 . 1 . . . . 9 S CB . 16657 1 49 . 1 1 11 11 SER N N 15 117.220 0.4 . 1 . . . . 9 S N . 16657 1 50 . 1 1 12 12 ARG H H 1 8.397 0.03 . 1 . . . . 10 R HN . 16657 1 51 . 1 1 12 12 ARG HA H 1 4.116 0.03 . 1 . . . . 10 R HA . 16657 1 52 . 1 1 12 12 ARG CA C 13 56.030 0.4 . 1 . . . . 10 R CA . 16657 1 53 . 1 1 12 12 ARG CB C 13 30.370 0.4 . 1 . . . . 10 R CB . 16657 1 54 . 1 1 12 12 ARG CD C 13 42.890 0.4 . 1 . . . . 10 R CD . 16657 1 55 . 1 1 12 12 ARG CG C 13 26.620 0.4 . 1 . . . . 10 R CG . 16657 1 56 . 1 1 12 12 ARG N N 15 123.380 0.4 . 1 . . . . 10 R N . 16657 1 57 . 1 1 13 13 GLY H H 1 8.323 0.03 . 1 . . . . 11 G HN . 16657 1 58 . 1 1 13 13 GLY CA C 13 44.850 0.4 . 1 . . . . 11 G CA . 16657 1 59 . 1 1 13 13 GLY N N 15 109.650 0.4 . 1 . . . . 11 G N . 16657 1 60 . 1 1 14 14 THR H H 1 7.980 0.03 . 1 . . . . 12 T HN . 16657 1 61 . 1 1 14 14 THR HA H 1 4.043 0.03 . 1 . . . . 12 T HA . 16657 1 62 . 1 1 14 14 THR CA C 13 61.680 0.4 . 1 . . . . 12 T CA . 16657 1 63 . 1 1 14 14 THR CB C 13 69.290 0.4 . 1 . . . . 12 T CB . 16657 1 64 . 1 1 14 14 THR CG2 C 13 21.233 0.4 . 1 . . . . 12 T CG . 16657 1 65 . 1 1 14 14 THR N N 15 114.150 0.4 . 1 . . . . 12 T N . 16657 1 66 . 1 1 15 15 ARG H H 1 8.237 0.03 . 1 . . . . 13 R HN . 16657 1 67 . 1 1 15 15 ARG HA H 1 4.044 0.03 . 1 . . . . 13 R HA . 16657 1 68 . 1 1 15 15 ARG CA C 13 55.690 0.4 . 1 . . . . 13 R CA . 16657 1 69 . 1 1 15 15 ARG CB C 13 30.220 0.4 . 1 . . . . 13 R CB . 16657 1 70 . 1 1 15 15 ARG CD C 13 42.866 0.4 . 1 . . . . 13 R CD . 16657 1 71 . 1 1 15 15 ARG CG C 13 26.384 0.4 . 1 . . . . 13 R CG . 16657 1 72 . 1 1 15 15 ARG N N 15 123.590 0.4 . 1 . . . . 13 R N . 16657 1 73 . 1 1 16 16 TYR H H 1 8.102 0.03 . 1 . . . . 14 Y HN . 16657 1 74 . 1 1 16 16 TYR HA H 1 4.300 0.03 . 1 . . . . 14 Y HA . 16657 1 75 . 1 1 16 16 TYR CA C 13 57.470 0.4 . 1 . . . . 14 Y CA . 16657 1 76 . 1 1 16 16 TYR CB C 13 38.310 0.4 . 1 . . . . 14 Y CB . 16657 1 77 . 1 1 16 16 TYR N N 15 121.780 0.4 . 1 . . . . 14 Y N . 16657 1 78 . 1 1 17 17 LEU H H 1 7.920 0.03 . 1 . . . . 15 L HN . 16657 1 79 . 1 1 17 17 LEU HA H 1 4.043 0.03 . 1 . . . . 15 L HA . 16657 1 80 . 1 1 17 17 LEU CA C 13 54.110 0.4 . 1 . . . . 15 L CA . 16657 1 81 . 1 1 17 17 LEU CB C 13 42.200 0.4 . 1 . . . . 15 L CB . 16657 1 82 . 1 1 17 17 LEU CD1 C 13 24.518 0.4 . 2 . . . . 15 L CD1 . 16657 1 83 . 1 1 17 17 LEU CD2 C 13 23.239 0.4 . 2 . . . . 15 L CD2 . 16657 1 84 . 1 1 17 17 LEU CG C 13 26.449 0.4 . 1 . . . . 15 L CG . 16657 1 85 . 1 1 17 17 LEU N N 15 125.130 0.4 . 1 . . . . 15 L N . 16657 1 86 . 1 1 18 18 ALA H H 1 8.065 0.03 . 1 . . . . 16 A HN . 16657 1 87 . 1 1 18 18 ALA HA H 1 3.992 0.03 . 1 . . . . 16 A HA . 16657 1 88 . 1 1 18 18 ALA CA C 13 51.730 0.4 . 1 . . . . 16 A CA . 16657 1 89 . 1 1 18 18 ALA CB C 13 18.720 0.4 . 1 . . . . 16 A CB . 16657 1 90 . 1 1 18 18 ALA N N 15 125.330 0.4 . 1 . . . . 16 A N . 16657 1 91 . 1 1 19 19 GLN H H 1 8.220 0.03 . 1 . . . . 17 Q HN . 16657 1 92 . 1 1 19 19 GLN HA H 1 4.361 0.03 . 1 . . . . 17 Q HA . 16657 1 93 . 1 1 19 19 GLN CA C 13 53.070 0.4 . 1 . . . . 17 Q CA . 16657 1 94 . 1 1 19 19 GLN CB C 13 28.560 0.4 . 1 . . . . 17 Q CB . 16657 1 95 . 1 1 19 19 GLN N N 15 120.720 0.4 . 1 . . . . 17 Q N . 16657 1 96 . 1 1 20 20 PRO HA H 1 4.207 0.03 . 1 . . . . 18 P HA . 16657 1 97 . 1 1 20 20 PRO CA C 13 62.783 0.4 . 1 . . . . 18 P CA . 16657 1 98 . 1 1 20 20 PRO CB C 13 31.797 0.4 . 1 . . . . 18 P CB . 16657 1 99 . 1 1 20 20 PRO CD C 13 50.397 0.4 . 1 . . . . 18 P CD . 16657 1 100 . 1 1 20 20 PRO CG C 13 27.065 0.4 . 1 . . . . 18 P CG . 16657 1 101 . 1 1 20 20 PRO N N 15 137.714 0.4 . 1 . . . . 18 P N . 16657 1 102 . 1 1 21 21 SER H H 1 8.400 0.03 . 1 . . . . 19 S HN . 16657 1 103 . 1 1 21 21 SER HA H 1 4.204 0.03 . 1 . . . . 19 S HA . 16657 1 104 . 1 1 21 21 SER CA C 13 57.970 0.4 . 1 . . . . 19 S CA . 16657 1 105 . 1 1 21 21 SER CB C 13 63.430 0.4 . 1 . . . . 19 S CB . 16657 1 106 . 1 1 21 21 SER N N 15 116.440 0.4 . 1 . . . . 19 S N . 16657 1 107 . 1 1 22 22 GLY H H 1 8.336 0.03 . 1 . . . . 20 G HN . 16657 1 108 . 1 1 22 22 GLY CA C 13 44.870 0.4 . 1 . . . . 20 G CA . 16657 1 109 . 1 1 22 22 GLY N N 15 110.660 0.4 . 1 . . . . 20 G N . 16657 1 110 . 1 1 23 23 ASN H H 1 8.267 0.03 . 1 . . . . 21 N HN . 16657 1 111 . 1 1 23 23 ASN HA H 1 4.572 0.03 . 1 . . . . 21 N HA . 16657 1 112 . 1 1 23 23 ASN CA C 13 52.780 0.4 . 1 . . . . 21 N CA . 16657 1 113 . 1 1 23 23 ASN CB C 13 38.460 0.4 . 1 . . . . 21 N CB . 16657 1 114 . 1 1 23 23 ASN N N 15 118.870 0.4 . 1 . . . . 21 N N . 16657 1 115 . 1 1 24 24 THR H H 1 8.152 0.03 . 1 . . . . 22 T HN . 16657 1 116 . 1 1 24 24 THR HA H 1 4.168 0.03 . 1 . . . . 22 T HA . 16657 1 117 . 1 1 24 24 THR CA C 13 61.450 0.4 . 1 . . . . 22 T CA . 16657 1 118 . 1 1 24 24 THR CB C 13 69.210 0.4 . 1 . . . . 22 T CB . 16657 1 119 . 1 1 24 24 THR CG2 C 13 21.178 0.4 . 1 . . . . 22 T CG . 16657 1 120 . 1 1 24 24 THR N N 15 114.540 0.4 . 1 . . . . 22 T N . 16657 1 121 . 1 1 25 25 SER H H 1 8.293 0.03 . 1 . . . . 23 S HN . 16657 1 122 . 1 1 25 25 SER HA H 1 4.256 0.03 . 1 . . . . 23 S HA . 16657 1 123 . 1 1 25 25 SER CA C 13 58.180 0.4 . 1 . . . . 23 S CA . 16657 1 124 . 1 1 25 25 SER CB C 13 63.260 0.4 . 1 . . . . 23 S CB . 16657 1 125 . 1 1 25 25 SER N N 15 118.240 0.4 . 1 . . . . 23 S N . 16657 1 126 . 1 1 26 26 SER H H 1 8.311 0.03 . 1 . . . . 24 S HN . 16657 1 127 . 1 1 26 26 SER HA H 1 4.256 0.03 . 1 . . . . 24 S HA . 16657 1 128 . 1 1 26 26 SER CA C 13 58.210 0.4 . 1 . . . . 24 S CA . 16657 1 129 . 1 1 26 26 SER CB C 13 63.150 0.4 . 1 . . . . 24 S CB . 16657 1 130 . 1 1 26 26 SER N N 15 117.940 0.4 . 1 . . . . 24 S N . 16657 1 131 . 1 1 27 27 SER H H 1 8.204 0.03 . 1 . . . . 25 S HN . 16657 1 132 . 1 1 27 27 SER HA H 1 4.192 0.03 . 1 . . . . 25 S HA . 16657 1 133 . 1 1 27 27 SER CA C 13 58.310 0.4 . 1 . . . . 25 S CA . 16657 1 134 . 1 1 27 27 SER CB C 13 63.100 0.4 . 1 . . . . 25 S CB . 16657 1 135 . 1 1 27 27 SER N N 15 118.070 0.4 . 1 . . . . 25 S N . 16657 1 136 . 1 1 28 28 ALA H H 1 8.119 0.03 . 1 . . . . 26 A HN . 16657 1 137 . 1 1 28 28 ALA HA H 1 4.044 0.03 . 1 . . . . 26 A HA . 16657 1 138 . 1 1 28 28 ALA CA C 13 52.640 0.4 . 1 . . . . 26 A CA . 16657 1 139 . 1 1 28 28 ALA CB C 13 18.560 0.4 . 1 . . . . 26 A CB . 16657 1 140 . 1 1 28 28 ALA N N 15 125.770 0.4 . 1 . . . . 26 A N . 16657 1 141 . 1 1 29 29 LEU H H 1 7.916 0.03 . 1 . . . . 27 L HN . 16657 1 142 . 1 1 29 29 LEU HA H 1 4.057 0.03 . 1 . . . . 27 L HA . 16657 1 143 . 1 1 29 29 LEU CA C 13 55.020 0.4 . 1 . . . . 27 L CA . 16657 1 144 . 1 1 29 29 LEU CB C 13 41.740 0.4 . 1 . . . . 27 L CB . 16657 1 145 . 1 1 29 29 LEU CD1 C 13 24.521 0.4 . 2 . . . . 27 L CD1 . 16657 1 146 . 1 1 29 29 LEU CD2 C 13 23.007 0.4 . 2 . . . . 27 L CD2 . 16657 1 147 . 1 1 29 29 LEU CG C 13 26.646 0.4 . 1 . . . . 27 L CG . 16657 1 148 . 1 1 29 29 LEU N N 15 120.140 0.4 . 1 . . . . 27 L N . 16657 1 149 . 1 1 30 30 MET H H 1 8.072 0.03 . 1 . . . . 28 M HN . 16657 1 150 . 1 1 30 30 MET HA H 1 4.225 0.03 . 1 . . . . 28 M HA . 16657 1 151 . 1 1 30 30 MET CA C 13 55.040 0.4 . 1 . . . . 28 M CA . 16657 1 152 . 1 1 30 30 MET CB C 13 32.140 0.4 . 1 . . . . 28 M CB . 16657 1 153 . 1 1 30 30 MET CG C 13 31.332 0.4 . 1 . . . . 28 M CG . 16657 1 154 . 1 1 30 30 MET N N 15 120.390 0.4 . 1 . . . . 28 M N . 16657 1 155 . 1 1 31 31 GLN H H 1 8.217 0.03 . 1 . . . . 29 Q HN . 16657 1 156 . 1 1 31 31 GLN HA H 1 4.059 0.03 . 1 . . . . 29 Q HA . 16657 1 157 . 1 1 31 31 GLN CA C 13 55.890 0.4 . 1 . . . . 29 Q CA . 16657 1 158 . 1 1 31 31 GLN CB C 13 28.860 0.4 . 1 . . . . 29 Q CB . 16657 1 159 . 1 1 31 31 GLN CG C 13 33.317 0.4 . 1 . . . . 29 Q CG . 16657 1 160 . 1 1 31 31 GLN N N 15 121.180 0.4 . 1 . . . . 29 Q N . 16657 1 161 . 1 1 32 32 GLY H H 1 8.340 0.03 . 1 . . . . 30 G HN . 16657 1 162 . 1 1 32 32 GLY CA C 13 44.910 0.4 . 1 . . . . 30 G CA . 16657 1 163 . 1 1 32 32 GLY N N 15 109.980 0.4 . 1 . . . . 30 G N . 16657 1 164 . 1 1 33 33 GLN H H 1 8.063 0.03 . 1 . . . . 31 Q HN . 16657 1 165 . 1 1 33 33 GLN HA H 1 4.097 0.03 . 1 . . . . 31 Q HA . 16657 1 166 . 1 1 33 33 GLN CA C 13 55.230 0.4 . 1 . . . . 31 Q CA . 16657 1 167 . 1 1 33 33 GLN CB C 13 29.210 0.4 . 1 . . . . 31 Q CB . 16657 1 168 . 1 1 33 33 GLN CG C 13 33.456 0.4 . 1 . . . . 31 Q CG . 16657 1 169 . 1 1 33 33 GLN N N 15 119.710 0.4 . 1 . . . . 31 Q N . 16657 1 170 . 1 1 34 34 LYS H H 1 8.347 0.03 . 1 . . . . 32 K HN . 16657 1 171 . 1 1 34 34 LYS HA H 1 4.149 0.03 . 1 . . . . 32 K HA . 16657 1 172 . 1 1 34 34 LYS CA C 13 55.770 0.4 . 1 . . . . 32 K CA . 16657 1 173 . 1 1 34 34 LYS CB C 13 32.690 0.4 . 1 . . . . 32 K CB . 16657 1 174 . 1 1 34 34 LYS CD C 13 28.685 0.4 . 1 . . . . 32 K CD . 16657 1 175 . 1 1 34 34 LYS CE C 13 41.644 0.4 . 1 . . . . 32 K CE . 16657 1 176 . 1 1 34 34 LYS CG C 13 24.421 0.4 . 1 . . . . 32 K CG . 16657 1 177 . 1 1 34 34 LYS N N 15 122.920 0.4 . 1 . . . . 32 K N . 16657 1 178 . 1 1 35 35 THR H H 1 8.165 0.03 . 1 . . . . 33 T HN . 16657 1 179 . 1 1 35 35 THR HA H 1 4.344 0.03 . 1 . . . . 33 T HA . 16657 1 180 . 1 1 35 35 THR CA C 13 59.470 0.4 . 1 . . . . 33 T CA . 16657 1 181 . 1 1 35 35 THR CB C 13 69.160 0.4 . 1 . . . . 33 T CB . 16657 1 182 . 1 1 35 35 THR N N 15 118.430 0.4 . 1 . . . . 33 T N . 16657 1 183 . 1 1 36 36 PRO HA H 1 4.176 0.03 . 1 . . . . 34 P HA . 16657 1 184 . 1 1 36 36 PRO CA C 13 62.700 0.4 . 1 . . . . 34 P CA . 16657 1 185 . 1 1 36 36 PRO CB C 13 31.810 0.4 . 1 . . . . 34 P CB . 16657 1 186 . 1 1 36 36 PRO CD C 13 50.742 0.4 . 1 . . . . 34 P CD . 16657 1 187 . 1 1 36 36 PRO CG C 13 27.105 0.4 . 1 . . . . 34 P CG . 16657 1 188 . 1 1 36 36 PRO N N 15 139.290 0.4 . 1 . . . . 34 P N . 16657 1 189 . 1 1 37 37 GLN H H 1 8.426 0.03 . 1 . . . . 35 Q HN . 16657 1 190 . 1 1 37 37 GLN HA H 1 4.044 0.03 . 1 . . . . 35 Q HA . 16657 1 191 . 1 1 37 37 GLN CA C 13 55.070 0.4 . 1 . . . . 35 Q CA . 16657 1 192 . 1 1 37 37 GLN CB C 13 29.360 0.4 . 1 . . . . 35 Q CB . 16657 1 193 . 1 1 37 37 GLN CG C 13 33.381 0.4 . 1 . . . . 35 Q CG . 16657 1 194 . 1 1 37 37 GLN N N 15 121.500 0.4 . 1 . . . . 35 Q N . 16657 1 195 . 1 1 38 38 LYS H H 1 8.383 0.03 . 1 . . . . 36 K HN . 16657 1 196 . 1 1 38 38 LYS HA H 1 4.358 0.03 . 1 . . . . 36 K HA . 16657 1 197 . 1 1 38 38 LYS CA C 13 53.900 0.4 . 1 . . . . 36 K CA . 16657 1 198 . 1 1 38 38 LYS CB C 13 32.010 0.4 . 1 . . . . 36 K CB . 16657 1 199 . 1 1 38 38 LYS N N 15 124.780 0.4 . 1 . . . . 36 K N . 16657 1 200 . 1 1 39 39 PRO HA H 1 4.207 0.03 . 1 . . . . 37 P HA . 16657 1 201 . 1 1 39 39 PRO CA C 13 62.781 0.4 . 1 . . . . 37 P CA . 16657 1 202 . 1 1 39 39 PRO CB C 13 31.806 0.4 . 1 . . . . 37 P CB . 16657 1 203 . 1 1 39 39 PRO CD C 13 50.406 0.4 . 1 . . . . 37 P CD . 16657 1 204 . 1 1 39 39 PRO CG C 13 27.074 0.4 . 1 . . . . 37 P CG . 16657 1 205 . 1 1 39 39 PRO N N 15 137.340 0.4 . 1 . . . . 37 P N . 16657 1 206 . 1 1 40 40 SER H H 1 8.402 0.03 . 1 . . . . 38 S HN . 16657 1 207 . 1 1 40 40 SER HA H 1 4.155 0.03 . 1 . . . . 38 S HA . 16657 1 208 . 1 1 40 40 SER CA C 13 57.970 0.4 . 1 . . . . 38 S CA . 16657 1 209 . 1 1 40 40 SER CB C 13 63.430 0.4 . 1 . . . . 38 S CB . 16657 1 210 . 1 1 40 40 SER N N 15 116.440 0.4 . 1 . . . . 38 S N . 16657 1 211 . 1 1 41 41 GLN H H 1 8.355 0.03 . 1 . . . . 39 Q HN . 16657 1 212 . 1 1 41 41 GLN HA H 1 4.109 0.03 . 1 . . . . 39 Q HA . 16657 1 213 . 1 1 41 41 GLN CA C 13 55.240 0.4 . 1 . . . . 39 Q CA . 16657 1 214 . 1 1 41 41 GLN CB C 13 29.300 0.4 . 1 . . . . 39 Q CB . 16657 1 215 . 1 1 41 41 GLN CG C 13 33.416 0.4 . 1 . . . . 39 Q CG . 16657 1 216 . 1 1 41 41 GLN N N 15 122.140 0.4 . 1 . . . . 39 Q N . 16657 1 217 . 1 1 42 42 ASN H H 1 8.361 0.03 . 1 . . . . 40 N HN . 16657 1 218 . 1 1 42 42 ASN HA H 1 4.440 0.03 . 1 . . . . 40 N HA . 16657 1 219 . 1 1 42 42 ASN CA C 13 52.770 0.4 . 1 . . . . 40 N CA . 16657 1 220 . 1 1 42 42 ASN CB C 13 38.260 0.4 . 1 . . . . 40 N CB . 16657 1 221 . 1 1 42 42 ASN N N 15 119.880 0.4 . 1 . . . . 40 N N . 16657 1 222 . 1 1 43 43 LEU H H 1 8.163 0.03 . 1 . . . . 41 L HN . 16657 1 223 . 1 1 43 43 LEU HA H 1 4.065 0.03 . 1 . . . . 41 L HA . 16657 1 224 . 1 1 43 43 LEU CA C 13 54.620 0.4 . 1 . . . . 41 L CA . 16657 1 225 . 1 1 43 43 LEU CB C 13 41.830 0.4 . 1 . . . . 41 L CB . 16657 1 226 . 1 1 43 43 LEU CD1 C 13 24.591 0.4 . 2 . . . . 41 L CD1 . 16657 1 227 . 1 1 43 43 LEU CD2 C 13 22.909 0.4 . 2 . . . . 41 L CD2 . 16657 1 228 . 1 1 43 43 LEU CG C 13 26.642 0.4 . 1 . . . . 41 L CG . 16657 1 229 . 1 1 43 43 LEU N N 15 122.890 0.4 . 1 . . . . 41 L N . 16657 1 230 . 1 1 44 44 VAL H H 1 8.051 0.03 . 1 . . . . 42 V HN . 16657 1 231 . 1 1 44 44 VAL HA H 1 4.152 0.03 . 1 . . . . 42 V HA . 16657 1 232 . 1 1 44 44 VAL CA C 13 59.490 0.4 . 1 . . . . 42 V CA . 16657 1 233 . 1 1 44 44 VAL CB C 13 32.140 0.4 . 1 . . . . 42 V CB . 16657 1 234 . 1 1 44 44 VAL N N 15 123.550 0.4 . 1 . . . . 42 V N . 16657 1 235 . 1 1 45 45 PRO HA H 1 4.191 0.03 . 1 . . . . 43 P HA . 16657 1 236 . 1 1 45 45 PRO CA C 13 62.521 0.4 . 1 . . . . 43 P CA . 16657 1 237 . 1 1 45 45 PRO CB C 13 31.779 0.4 . 1 . . . . 43 P CB . 16657 1 238 . 1 1 45 45 PRO CD C 13 50.650 0.4 . 1 . . . . 43 P CD . 16657 1 239 . 1 1 45 45 PRO CG C 13 27.026 0.4 . 1 . . . . 43 P CG . 16657 1 240 . 1 1 45 45 PRO N N 15 139.851 0.4 . 1 . . . . 43 P N . 16657 1 241 . 1 1 46 46 VAL H H 1 8.233 0.03 . 1 . . . . 44 V HN . 16657 1 242 . 1 1 46 46 VAL HA H 1 3.869 0.03 . 1 . . . . 44 V HA . 16657 1 243 . 1 1 46 46 VAL CA C 13 61.720 0.4 . 1 . . . . 44 V CA . 16657 1 244 . 1 1 46 46 VAL CB C 13 32.400 0.4 . 1 . . . . 44 V CB . 16657 1 245 . 1 1 46 46 VAL CG1 C 13 20.580 0.4 . 2 . . . . 44 V CG1 . 16657 1 246 . 1 1 46 46 VAL CG2 C 13 20.580 0.4 . 2 . . . . 44 V CG2 . 16657 1 247 . 1 1 46 46 VAL N N 15 121.360 0.4 . 1 . . . . 44 V N . 16657 1 248 . 1 1 47 47 THR H H 1 8.274 0.03 . 1 . . . . 45 T HN . 16657 1 249 . 1 1 47 47 THR HA H 1 4.368 0.03 . 1 . . . . 45 T HA . 16657 1 250 . 1 1 47 47 THR CA C 13 59.350 0.4 . 1 . . . . 45 T CA . 16657 1 251 . 1 1 47 47 THR CB C 13 69.210 0.4 . 1 . . . . 45 T CB . 16657 1 252 . 1 1 47 47 THR N N 15 121.910 0.4 . 1 . . . . 45 T N . 16657 1 253 . 1 1 48 48 PRO HA H 1 4.462 0.03 . 1 . . . . 46 P HA . 16657 1 254 . 1 1 48 48 PRO CA C 13 62.730 0.4 . 1 . . . . 46 P CA . 16657 1 255 . 1 1 48 48 PRO CB C 13 31.830 0.4 . 1 . . . . 46 P CB . 16657 1 256 . 1 1 48 48 PRO CD C 13 50.291 0.4 . 1 . . . . 46 P CD . 16657 1 257 . 1 1 48 48 PRO CG C 13 27.504 0.4 . 1 . . . . 46 P CG . 16657 1 258 . 1 1 48 48 PRO N N 15 139.717 0.4 . 1 . . . . 46 P N . 16657 1 259 . 1 1 49 49 SER H H 1 8.401 0.03 . 1 . . . . 47 S HN . 16657 1 260 . 1 1 49 49 SER HA H 1 4.269 0.03 . 1 . . . . 47 S HA . 16657 1 261 . 1 1 49 49 SER CA C 13 58.040 0.4 . 1 . . . . 47 S CA . 16657 1 262 . 1 1 49 49 SER CB C 13 63.260 0.4 . 1 . . . . 47 S CB . 16657 1 263 . 1 1 49 49 SER N N 15 116.390 0.4 . 1 . . . . 47 S N . 16657 1 264 . 1 1 50 50 THR H H 1 8.147 0.03 . 1 . . . . 48 T HN . 16657 1 265 . 1 1 50 50 THR HA H 1 4.204 0.03 . 1 . . . . 48 T HA . 16657 1 266 . 1 1 50 50 THR CA C 13 61.360 0.4 . 1 . . . . 48 T CA . 16657 1 267 . 1 1 50 50 THR CB C 13 69.280 0.4 . 1 . . . . 48 T CB . 16657 1 268 . 1 1 50 50 THR CG2 C 13 21.123 0.4 . 1 . . . . 48 T CG . 16657 1 269 . 1 1 50 50 THR N N 15 115.850 0.4 . 1 . . . . 48 T N . 16657 1 270 . 1 1 51 51 THR H H 1 8.043 0.03 . 1 . . . . 49 T HN . 16657 1 271 . 1 1 51 51 THR HA H 1 4.070 0.03 . 1 . . . . 49 T HA . 16657 1 272 . 1 1 51 51 THR CA C 13 61.660 0.4 . 1 . . . . 49 T CA . 16657 1 273 . 1 1 51 51 THR CB C 13 69.210 0.4 . 1 . . . . 49 T CB . 16657 1 274 . 1 1 51 51 THR CG2 C 13 21.269 0.4 . 1 . . . . 49 T CG . 16657 1 275 . 1 1 51 51 THR N N 15 117.060 0.4 . 1 . . . . 49 T N . 16657 1 276 . 1 1 52 52 LYS H H 1 8.260 0.03 . 1 . . . . 50 K HN . 16657 1 277 . 1 1 52 52 LYS HA H 1 4.074 0.03 . 1 . . . . 50 K HA . 16657 1 278 . 1 1 52 52 LYS CA C 13 55.870 0.4 . 1 . . . . 50 K CA . 16657 1 279 . 1 1 52 52 LYS CB C 13 32.610 0.4 . 1 . . . . 50 K CB . 16657 1 280 . 1 1 52 52 LYS CD C 13 28.696 0.4 . 1 . . . . 50 K CD . 16657 1 281 . 1 1 52 52 LYS CE C 13 41.658 0.4 . 1 . . . . 50 K CE . 16657 1 282 . 1 1 52 52 LYS CG C 13 24.358 0.4 . 1 . . . . 50 K CG . 16657 1 283 . 1 1 52 52 LYS N N 15 124.420 0.4 . 1 . . . . 50 K N . 16657 1 284 . 1 1 53 53 SER H H 1 8.123 0.03 . 1 . . . . 51 S HN . 16657 1 285 . 1 1 53 53 SER HA H 1 4.176 0.03 . 1 . . . . 51 S HA . 16657 1 286 . 1 1 53 53 SER CA C 13 57.510 0.4 . 1 . . . . 51 S CA . 16657 1 287 . 1 1 53 53 SER CB C 13 63.370 0.4 . 1 . . . . 51 S CB . 16657 1 288 . 1 1 53 53 SER N N 15 116.990 0.4 . 1 . . . . 51 S N . 16657 1 289 . 1 1 54 54 PHE H H 1 8.199 0.03 . 1 . . . . 52 F HN . 16657 1 290 . 1 1 54 54 PHE HA H 1 4.393 0.03 . 1 . . . . 52 F HA . 16657 1 291 . 1 1 54 54 PHE CA C 13 57.360 0.4 . 1 . . . . 52 F CA . 16657 1 292 . 1 1 54 54 PHE CB C 13 39.210 0.4 . 1 . . . . 52 F CB . 16657 1 293 . 1 1 54 54 PHE N N 15 122.660 0.4 . 1 . . . . 52 F N . 16657 1 294 . 1 1 55 55 LYS H H 1 8.095 0.03 . 1 . . . . 53 K HN . 16657 1 295 . 1 1 55 55 LYS HA H 1 4.003 0.03 . 1 . . . . 53 K HA . 16657 1 296 . 1 1 55 55 LYS CA C 13 55.830 0.4 . 1 . . . . 53 K CA . 16657 1 297 . 1 1 55 55 LYS CB C 13 32.690 0.4 . 1 . . . . 53 K CB . 16657 1 298 . 1 1 55 55 LYS CD C 13 28.696 0.4 . 1 . . . . 53 K CD . 16657 1 299 . 1 1 55 55 LYS CE C 13 41.603 0.4 . 1 . . . . 53 K CE . 16657 1 300 . 1 1 55 55 LYS CG C 13 24.240 0.4 . 1 . . . . 53 K CG . 16657 1 301 . 1 1 55 55 LYS N N 15 122.990 0.4 . 1 . . . . 53 K N . 16657 1 302 . 1 1 56 56 ASN H H 1 8.221 0.03 . 1 . . . . 54 N HN . 16657 1 303 . 1 1 56 56 ASN HA H 1 4.404 0.03 . 1 . . . . 54 N HA . 16657 1 304 . 1 1 56 56 ASN CA C 13 52.570 0.4 . 1 . . . . 54 N CA . 16657 1 305 . 1 1 56 56 ASN CB C 13 38.520 0.4 . 1 . . . . 54 N CB . 16657 1 306 . 1 1 56 56 ASN N N 15 119.650 0.4 . 1 . . . . 54 N N . 16657 1 307 . 1 1 57 57 ALA H H 1 8.075 0.03 . 1 . . . . 55 A HN . 16657 1 308 . 1 1 57 57 ALA HA H 1 4.331 0.03 . 1 . . . . 55 A HA . 16657 1 309 . 1 1 57 57 ALA CA C 13 50.250 0.4 . 1 . . . . 55 A CA . 16657 1 310 . 1 1 57 57 ALA CB C 13 17.730 0.4 . 1 . . . . 55 A CB . 16657 1 311 . 1 1 57 57 ALA N N 15 125.650 0.4 . 1 . . . . 55 A N . 16657 1 312 . 1 1 58 58 PRO HA H 1 4.154 0.03 . 1 . . . . 56 P HA . 16657 1 313 . 1 1 58 58 PRO CA C 13 62.407 0.4 . 1 . . . . 56 P CA . 16657 1 314 . 1 1 58 58 PRO CB C 13 31.679 0.4 . 1 . . . . 56 P CB . 16657 1 315 . 1 1 58 58 PRO CD C 13 49.959 0.4 . 1 . . . . 56 P CD . 16657 1 316 . 1 1 58 58 PRO CG C 13 26.996 0.4 . 1 . . . . 56 P CG . 16657 1 317 . 1 1 58 58 PRO N N 15 135.601 0.4 . 1 . . . . 56 P N . 16657 1 318 . 1 1 59 59 LEU H H 1 8.231 0.03 . 1 . . . . 57 L HN . 16657 1 319 . 1 1 59 59 LEU HA H 1 4.061 0.03 . 1 . . . . 57 L HA . 16657 1 320 . 1 1 59 59 LEU CA C 13 54.670 0.4 . 1 . . . . 57 L CA . 16657 1 321 . 1 1 59 59 LEU CB C 13 41.761 0.4 . 1 . . . . 57 L CB . 16657 1 322 . 1 1 59 59 LEU CD1 C 13 24.349 0.4 . 2 . . . . 57 L CD1 . 16657 1 323 . 1 1 59 59 LEU CD2 C 13 23.282 0.4 . 2 . . . . 57 L CD2 . 16657 1 324 . 1 1 59 59 LEU CG C 13 26.728 0.4 . 1 . . . . 57 L CG . 16657 1 325 . 1 1 59 59 LEU N N 15 122.560 0.4 . 1 . . . . 57 L N . 16657 1 326 . 1 1 60 60 LEU H H 1 8.117 0.03 . 1 . . . . 58 L HN . 16657 1 327 . 1 1 60 60 LEU HA H 1 4.139 0.03 . 1 . . . . 58 L HA . 16657 1 328 . 1 1 60 60 LEU CA C 13 54.054 0.4 . 1 . . . . 58 L CA . 16657 1 329 . 1 1 60 60 LEU CB C 13 42.020 0.4 . 1 . . . . 58 L CB . 16657 1 330 . 1 1 60 60 LEU CD1 C 13 24.485 0.4 . 2 . . . . 58 L CD1 . 16657 1 331 . 1 1 60 60 LEU CD2 C 13 23.116 0.4 . 2 . . . . 58 L CD2 . 16657 1 332 . 1 1 60 60 LEU CG C 13 26.544 0.4 . 1 . . . . 58 L CG . 16657 1 333 . 1 1 60 60 LEU N N 15 123.860 0.4 . 1 . . . . 58 L N . 16657 1 334 . 1 1 61 61 ALA H H 1 8.137 0.03 . 1 . . . . 59 A HN . 16657 1 335 . 1 1 61 61 ALA HA H 1 4.334 0.03 . 1 . . . . 59 A HA . 16657 1 336 . 1 1 61 61 ALA CA C 13 49.830 0.4 . 1 . . . . 59 A CA . 16657 1 337 . 1 1 61 61 ALA CB C 13 17.700 0.4 . 1 . . . . 59 A CB . 16657 1 338 . 1 1 61 61 ALA N N 15 126.670 0.4 . 1 . . . . 59 A N . 16657 1 339 . 1 1 62 62 PRO HA H 1 4.466 0.03 . 1 . . . . 60 P HA . 16657 1 340 . 1 1 62 62 PRO CA C 13 61.037 0.4 . 1 . . . . 60 P CA . 16657 1 341 . 1 1 62 62 PRO CB C 13 30.446 0.4 . 1 . . . . 60 P CB . 16657 1 342 . 1 1 62 62 PRO N N 15 136.716 0.4 . 1 . . . . 60 P N . 16657 1 343 . 1 1 63 63 PRO HA H 1 4.178 0.03 . 1 . . . . 61 P HA . 16657 1 344 . 1 1 63 63 PRO CA C 13 62.600 0.4 . 1 . . . . 61 P CA . 16657 1 345 . 1 1 63 63 PRO CB C 13 31.620 0.4 . 1 . . . . 61 P CB . 16657 1 346 . 1 1 63 63 PRO CD C 13 50.046 0.4 . 1 . . . . 61 P CD . 16657 1 347 . 1 1 63 63 PRO CG C 13 26.992 0.4 . 1 . . . . 61 P CG . 16657 1 348 . 1 1 63 63 PRO N N 15 135.490 0.4 . 1 . . . . 61 P N . 16657 1 349 . 1 1 64 64 ASN H H 1 8.429 0.03 . 1 . . . . 62 N HN . 16657 1 350 . 1 1 64 64 ASN HA H 1 4.441 0.03 . 1 . . . . 62 N HA . 16657 1 351 . 1 1 64 64 ASN CA C 13 52.820 0.4 . 1 . . . . 62 N CA . 16657 1 352 . 1 1 64 64 ASN CB C 13 38.330 0.4 . 1 . . . . 62 N CB . 16657 1 353 . 1 1 64 64 ASN N N 15 118.570 0.4 . 1 . . . . 62 N N . 16657 1 354 . 1 1 65 65 SER H H 1 8.219 0.03 . 1 . . . . 63 S HN . 16657 1 355 . 1 1 65 65 SER HA H 1 4.181 0.03 . 1 . . . . 63 S HA . 16657 1 356 . 1 1 65 65 SER CA C 13 58.210 0.4 . 1 . . . . 63 S CA . 16657 1 357 . 1 1 65 65 SER CB C 13 63.290 0.4 . 1 . . . . 63 S CB . 16657 1 358 . 1 1 65 65 SER N N 15 116.430 0.4 . 1 . . . . 63 S N . 16657 1 359 . 1 1 66 66 ASN H H 1 8.414 0.03 . 1 . . . . 64 N HN . 16657 1 360 . 1 1 66 66 ASN HA H 1 4.492 0.03 . 1 . . . . 64 N HA . 16657 1 361 . 1 1 66 66 ASN CA C 13 52.950 0.4 . 1 . . . . 64 N CA . 16657 1 362 . 1 1 66 66 ASN CB C 13 38.110 0.4 . 1 . . . . 64 N CB . 16657 1 363 . 1 1 66 66 ASN N N 15 120.460 0.4 . 1 . . . . 64 N N . 16657 1 364 . 1 1 67 67 MET H H 1 8.182 0.03 . 1 . . . . 65 M HN . 16657 1 365 . 1 1 67 67 MET HA H 1 4.222 0.03 . 1 . . . . 65 M HA . 16657 1 366 . 1 1 67 67 MET CA C 13 55.350 0.4 . 1 . . . . 65 M CA . 16657 1 367 . 1 1 67 67 MET CB C 13 31.630 0.4 . 1 . . . . 65 M CB . 16657 1 368 . 1 1 67 67 MET CG C 13 31.647 0.4 . 1 . . . . 65 M CG . 16657 1 369 . 1 1 67 67 MET N N 15 120.230 0.4 . 1 . . . . 65 M N . 16657 1 370 . 1 1 68 68 GLY H H 1 8.305 0.03 . 1 . . . . 66 G HN . 16657 1 371 . 1 1 68 68 GLY CA C 13 44.960 0.4 . 1 . . . . 66 G CA . 16657 1 372 . 1 1 68 68 GLY N N 15 109.380 0.4 . 1 . . . . 66 G N . 16657 1 373 . 1 1 69 69 MET H H 1 8.063 0.03 . 1 . . . . 67 M HN . 16657 1 374 . 1 1 69 69 MET HA H 1 4.322 0.03 . 1 . . . . 67 M HA . 16657 1 375 . 1 1 69 69 MET CA C 13 55.160 0.4 . 1 . . . . 67 M CA . 16657 1 376 . 1 1 69 69 MET CB C 13 32.530 0.4 . 1 . . . . 67 M CB . 16657 1 377 . 1 1 69 69 MET CG C 13 31.598 0.4 . 1 . . . . 67 M CG . 16657 1 378 . 1 1 69 69 MET N N 15 119.730 0.4 . 1 . . . . 67 M N . 16657 1 379 . 1 1 70 70 THR H H 1 8.125 0.03 . 1 . . . . 68 T HN . 16657 1 380 . 1 1 70 70 THR HA H 1 4.142 0.03 . 1 . . . . 68 T HA . 16657 1 381 . 1 1 70 70 THR CA C 13 61.320 0.4 . 1 . . . . 68 T CA . 16657 1 382 . 1 1 70 70 THR CB C 13 69.380 0.4 . 1 . . . . 68 T CB . 16657 1 383 . 1 1 70 70 THR CG2 C 13 21.284 0.4 . 1 . . . . 68 T CG . 16657 1 384 . 1 1 70 70 THR N N 15 115.410 0.4 . 1 . . . . 68 T N . 16657 1 385 . 1 1 71 71 SER H H 1 8.251 0.03 . 1 . . . . 69 S HN . 16657 1 386 . 1 1 71 71 SER HA H 1 4.539 0.03 . 1 . . . . 69 S HA . 16657 1 387 . 1 1 71 71 SER CA C 13 55.850 0.4 . 1 . . . . 69 S CA . 16657 1 388 . 1 1 71 71 SER CB C 13 63.020 0.4 . 1 . . . . 69 S CB . 16657 1 389 . 1 1 71 71 SER N N 15 119.570 0.4 . 1 . . . . 69 S N . 16657 1 390 . 1 1 72 72 PRO HA H 1 4.182 0.03 . 1 . . . . 70 P HA . 16657 1 391 . 1 1 72 72 PRO CA C 13 62.865 0.4 . 1 . . . . 70 P CA . 16657 1 392 . 1 1 72 72 PRO CB C 13 31.568 0.4 . 1 . . . . 70 P CB . 16657 1 393 . 1 1 72 72 PRO CD C 13 50.335 0.4 . 1 . . . . 70 P CD . 16657 1 394 . 1 1 72 72 PRO CG C 13 26.807 0.4 . 1 . . . . 70 P CG . 16657 1 395 . 1 1 72 72 PRO N N 15 137.588 0.4 . 1 . . . . 70 P N . 16657 1 396 . 1 1 73 73 PHE H H 1 8.155 0.03 . 1 . . . . 71 F HN . 16657 1 397 . 1 1 73 73 PHE HA H 1 4.360 0.03 . 1 . . . . 71 F HA . 16657 1 398 . 1 1 73 73 PHE CA C 13 57.380 0.4 . 1 . . . . 71 F CA . 16657 1 399 . 1 1 73 73 PHE CB C 13 38.900 0.4 . 1 . . . . 71 F CB . 16657 1 400 . 1 1 73 73 PHE N N 15 120.310 0.4 . 1 . . . . 71 F N . 16657 1 401 . 1 1 74 74 ASN H H 1 8.105 0.03 . 1 . . . . 72 N HN . 16657 1 402 . 1 1 74 74 ASN HA H 1 4.405 0.03 . 1 . . . . 72 N HA . 16657 1 403 . 1 1 74 74 ASN CA C 13 52.560 0.4 . 1 . . . . 72 N CA . 16657 1 404 . 1 1 74 74 ASN CB C 13 38.540 0.4 . 1 . . . . 72 N CB . 16657 1 405 . 1 1 74 74 ASN N N 15 121.420 0.4 . 1 . . . . 72 N N . 16657 1 406 . 1 1 75 75 GLY H H 1 7.601 0.03 . 1 . . . . 73 G HN . 16657 1 407 . 1 1 75 75 GLY CA C 13 45.020 0.4 . 1 . . . . 73 G CA . 16657 1 408 . 1 1 75 75 GLY N N 15 108.460 0.4 . 1 . . . . 73 G N . 16657 1 409 . 1 1 76 76 LEU H H 1 7.960 0.03 . 1 . . . . 74 L HN . 16657 1 410 . 1 1 76 76 LEU HA H 1 4.203 0.03 . 1 . . . . 74 L HA . 16657 1 411 . 1 1 76 76 LEU CA C 13 54.840 0.4 . 1 . . . . 74 L CA . 16657 1 412 . 1 1 76 76 LEU CB C 13 41.950 0.4 . 1 . . . . 74 L CB . 16657 1 413 . 1 1 76 76 LEU CD1 C 13 24.670 0.4 . 2 . . . . 74 L CD1 . 16657 1 414 . 1 1 76 76 LEU CD2 C 13 22.859 0.4 . 2 . . . . 74 L CD2 . 16657 1 415 . 1 1 76 76 LEU CG C 13 26.589 0.4 . 1 . . . . 74 L CG . 16657 1 416 . 1 1 76 76 LEU N N 15 121.040 0.4 . 1 . . . . 74 L N . 16657 1 417 . 1 1 77 77 THR H H 1 8.009 0.03 . 1 . . . . 75 T HN . 16657 1 418 . 1 1 77 77 THR HA H 1 4.147 0.03 . 1 . . . . 75 T HA . 16657 1 419 . 1 1 77 77 THR CA C 13 61.140 0.4 . 1 . . . . 75 T CA . 16657 1 420 . 1 1 77 77 THR CB C 13 69.310 0.4 . 1 . . . . 75 T CB . 16657 1 421 . 1 1 77 77 THR CG2 C 13 21.228 0.4 . 1 . . . . 75 T CG . 16657 1 422 . 1 1 77 77 THR N N 15 114.160 0.4 . 1 . . . . 75 T N . 16657 1 423 . 1 1 78 78 SER H H 1 8.168 0.03 . 1 . . . . 76 S HN . 16657 1 424 . 1 1 78 78 SER HA H 1 4.502 0.03 . 1 . . . . 76 S HA . 16657 1 425 . 1 1 78 78 SER CA C 13 56.100 0.4 . 1 . . . . 76 S CA . 16657 1 426 . 1 1 78 78 SER CB C 13 62.770 0.4 . 1 . . . . 76 S CB . 16657 1 427 . 1 1 78 78 SER N N 15 119.430 0.4 . 1 . . . . 76 S N . 16657 1 428 . 1 1 79 79 PRO HA H 1 4.182 0.03 . 1 . . . . 77 P HA . 16657 1 429 . 1 1 79 79 PRO CA C 13 62.860 0.4 . 1 . . . . 77 P CA . 16657 1 430 . 1 1 79 79 PRO CB C 13 31.660 0.4 . 1 . . . . 77 P CB . 16657 1 431 . 1 1 79 79 PRO CD C 13 50.376 0.4 . 1 . . . . 77 P CD . 16657 1 432 . 1 1 79 79 PRO CG C 13 26.997 0.4 . 1 . . . . 77 P CG . 16657 1 433 . 1 1 79 79 PRO N N 15 137.894 0.4 . 1 . . . . 77 P N . 16657 1 434 . 1 1 80 80 GLN H H 1 8.323 0.03 . 1 . . . . 78 Q HN . 16657 1 435 . 1 1 80 80 GLN HA H 1 3.993 0.03 . 1 . . . . 78 Q HA . 16657 1 436 . 1 1 80 80 GLN CA C 13 55.350 0.4 . 1 . . . . 78 Q CA . 16657 1 437 . 1 1 80 80 GLN CB C 13 29.040 0.4 . 1 . . . . 78 Q CB . 16657 1 438 . 1 1 80 80 GLN CG C 13 33.403 0.4 . 1 . . . . 78 Q CG . 16657 1 439 . 1 1 80 80 GLN N N 15 120.570 0.4 . 1 . . . . 78 Q N . 16657 1 440 . 1 1 81 81 ARG H H 1 8.276 0.03 . 1 . . . . 79 R HN . 16657 1 441 . 1 1 81 81 ARG HA H 1 4.121 0.03 . 1 . . . . 79 R HA . 16657 1 442 . 1 1 81 81 ARG CA C 13 55.377 0.4 . 1 . . . . 79 R CA . 16657 1 443 . 1 1 81 81 ARG CB C 13 30.530 0.4 . 1 . . . . 79 R CB . 16657 1 444 . 1 1 81 81 ARG CD C 13 42.794 0.4 . 1 . . . . 79 R CD . 16657 1 445 . 1 1 81 81 ARG CG C 13 26.576 0.4 . 1 . . . . 79 R CG . 16657 1 446 . 1 1 81 81 ARG N N 15 122.830 0.4 . 1 . . . . 79 R N . 16657 1 447 . 1 1 82 82 SER H H 1 8.288 0.03 . 1 . . . . 80 S HN . 16657 1 448 . 1 1 82 82 SER HA H 1 4.447 0.03 . 1 . . . . 80 S HA . 16657 1 449 . 1 1 82 82 SER CA C 13 55.740 0.4 . 1 . . . . 80 S CA . 16657 1 450 . 1 1 82 82 SER CB C 13 62.880 0.4 . 1 . . . . 80 S CB . 16657 1 451 . 1 1 82 82 SER N N 15 118.760 0.4 . 1 . . . . 80 S N . 16657 1 452 . 1 1 83 83 PRO HA H 1 4.128 0.03 . 1 . . . . 81 P HA . 16657 1 453 . 1 1 83 83 PRO CA C 13 62.653 0.4 . 1 . . . . 81 P CA . 16657 1 454 . 1 1 83 83 PRO CB C 13 31.543 0.4 . 1 . . . . 81 P CB . 16657 1 455 . 1 1 83 83 PRO CD C 13 50.252 0.4 . 1 . . . . 81 P CD . 16657 1 456 . 1 1 83 83 PRO CG C 13 26.632 0.4 . 1 . . . . 81 P CG . 16657 1 457 . 1 1 83 83 PRO N N 15 137.250 0.4 . 1 . . . . 81 P N . 16657 1 458 . 1 1 84 84 PHE H H 1 7.982 0.03 . 1 . . . . 82 F HN . 16657 1 459 . 1 1 84 84 PHE HA H 1 4.637 0.03 . 1 . . . . 82 F HA . 16657 1 460 . 1 1 84 84 PHE CA C 13 55.140 0.4 . 1 . . . . 82 F CA . 16657 1 461 . 1 1 84 84 PHE CB C 13 38.360 0.4 . 1 . . . . 82 F CB . 16657 1 462 . 1 1 84 84 PHE N N 15 120.960 0.4 . 1 . . . . 82 F N . 16657 1 463 . 1 1 85 85 PRO HA H 1 4.201 0.03 . 1 . . . . 83 P HA . 16657 1 464 . 1 1 85 85 PRO CA C 13 62.582 0.4 . 1 . . . . 83 P CA . 16657 1 465 . 1 1 85 85 PRO CB C 13 31.679 0.4 . 1 . . . . 83 P CB . 16657 1 466 . 1 1 85 85 PRO CD C 13 50.394 0.4 . 1 . . . . 83 P CD . 16657 1 467 . 1 1 85 85 PRO CG C 13 27.031 0.4 . 1 . . . . 83 P CG . 16657 1 468 . 1 1 85 85 PRO N N 15 137.389 0.4 . 1 . . . . 83 P N . 16657 1 469 . 1 1 86 86 LYS H H 1 8.390 0.03 . 1 . . . . 84 K HN . 16657 1 470 . 1 1 86 86 LYS HA H 1 4.084 0.03 . 1 . . . . 84 K HA . 16657 1 471 . 1 1 86 86 LYS CA C 13 56.120 0.4 . 1 . . . . 84 K CA . 16657 1 472 . 1 1 86 86 LYS CB C 13 32.632 0.4 . 1 . . . . 84 K CB . 16657 1 473 . 1 1 86 86 LYS CD C 13 28.778 0.4 . 1 . . . . 84 K CD . 16657 1 474 . 1 1 86 86 LYS CE C 13 41.654 0.4 . 1 . . . . 84 K CE . 16657 1 475 . 1 1 86 86 LYS CG C 13 24.486 0.4 . 1 . . . . 84 K CG . 16657 1 476 . 1 1 86 86 LYS N N 15 122.250 0.4 . 1 . . . . 84 K N . 16657 1 477 . 1 1 87 87 SER H H 1 8.270 0.03 . 1 . . . . 85 S HN . 16657 1 478 . 1 1 87 87 SER HA H 1 4.246 0.03 . 1 . . . . 85 S HA . 16657 1 479 . 1 1 87 87 SER CA C 13 57.720 0.4 . 1 . . . . 85 S CA . 16657 1 480 . 1 1 87 87 SER CB C 13 63.330 0.4 . 1 . . . . 85 S CB . 16657 1 481 . 1 1 87 87 SER N N 15 116.980 0.4 . 1 . . . . 85 S N . 16657 1 482 . 1 1 88 88 SER H H 1 8.334 0.03 . 1 . . . . 86 S HN . 16657 1 483 . 1 1 88 88 SER HA H 1 4.268 0.03 . 1 . . . . 86 S HA . 16657 1 484 . 1 1 88 88 SER CA C 13 57.760 0.4 . 1 . . . . 86 S CA . 16657 1 485 . 1 1 88 88 SER CB C 13 63.340 0.4 . 1 . . . . 86 S CB . 16657 1 486 . 1 1 88 88 SER N N 15 118.450 0.4 . 1 . . . . 86 S N . 16657 1 487 . 1 1 89 89 VAL H H 1 7.982 0.03 . 1 . . . . 87 V HN . 16657 1 488 . 1 1 89 89 VAL HA H 1 3.857 0.03 . 1 . . . . 87 V HA . 16657 1 489 . 1 1 89 89 VAL CA C 13 61.860 0.4 . 1 . . . . 87 V CA . 16657 1 490 . 1 1 89 89 VAL CB C 13 32.330 0.4 . 1 . . . . 87 V CB . 16657 1 491 . 1 1 89 89 VAL CG1 C 13 20.446 0.4 . 2 . . . . 87 V CG1 . 16657 1 492 . 1 1 89 89 VAL CG2 C 13 20.446 0.4 . 2 . . . . 87 V CG2 . 16657 1 493 . 1 1 89 89 VAL N N 15 122.210 0.4 . 1 . . . . 87 V N . 16657 1 494 . 1 1 90 90 LYS H H 1 8.328 0.03 . 1 . . . . 88 K HN . 16657 1 495 . 1 1 90 90 LYS HA H 1 4.086 0.03 . 1 . . . . 88 K HA . 16657 1 496 . 1 1 90 90 LYS CA C 13 55.760 0.4 . 1 . . . . 88 K CA . 16657 1 497 . 1 1 90 90 LYS CB C 13 32.600 0.4 . 1 . . . . 88 K CB . 16657 1 498 . 1 1 90 90 LYS CD C 13 28.745 0.4 . 1 . . . . 88 K CD . 16657 1 499 . 1 1 90 90 LYS CE C 13 41.610 0.4 . 1 . . . . 88 K CE . 16657 1 500 . 1 1 90 90 LYS CG C 13 24.355 0.4 . 1 . . . . 88 K CG . 16657 1 501 . 1 1 90 90 LYS N N 15 126.530 0.4 . 1 . . . . 88 K N . 16657 1 502 . 1 1 91 91 ARG H H 1 8.436 0.03 . 1 . . . . 89 R HN . 16657 1 503 . 1 1 91 91 ARG HA H 1 4.188 0.03 . 1 . . . . 89 R HA . 16657 1 504 . 1 1 91 91 ARG CA C 13 55.680 0.4 . 1 . . . . 89 R CA . 16657 1 505 . 1 1 91 91 ARG CB C 13 30.520 0.4 . 1 . . . . 89 R CB . 16657 1 506 . 1 1 91 91 ARG CD C 13 42.767 0.4 . 1 . . . . 89 R CD . 16657 1 507 . 1 1 91 91 ARG CG C 13 26.637 0.4 . 1 . . . . 89 R CG . 16657 1 508 . 1 1 91 91 ARG N N 15 124.590 0.4 . 1 . . . . 89 R N . 16657 1 509 . 1 1 92 92 THR H H 1 7.711 0.03 . 1 . . . . 90 T HN . 16657 1 510 . 1 1 92 92 THR CA C 13 62.710 0.4 . 1 . . . . 90 T CA . 16657 1 511 . 1 1 92 92 THR CB C 13 70.140 0.4 . 1 . . . . 90 T CB . 16657 1 512 . 1 1 92 92 THR N N 15 120.790 0.4 . 1 . . . . 90 T N . 16657 1 stop_ save_