################################### # 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 15563 _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' . . . 15563 1 2 '3D COCON' . . . 15563 1 3 '2D CON' . . . 15563 1 4 '3D CBCACON' . . . 15563 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 1 $TOPSPIN . . 15563 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 171.927 0.000 . 1 . . . . 1 M CO . 15563 1 2 . 1 1 2 2 ALA C C 13 174.420 0.092 . 1 . . . . 2 A CO . 15563 1 3 . 1 1 2 2 ALA CA C 13 49.712 0.000 . 1 . . . . 2 A CA . 15563 1 4 . 1 1 2 2 ALA CB C 13 16.290 0.000 . 1 . . . . 2 A CB . 15563 1 5 . 1 1 3 3 SER H H 1 8.082 0.000 . 1 . . . . 3 S HN . 15563 1 6 . 1 1 3 3 SER C C 13 171.349 0.030 . 1 . . . . 3 S CO . 15563 1 7 . 1 1 3 3 SER CA C 13 55.397 0.000 . 1 . . . . 3 S CA . 15563 1 8 . 1 1 3 3 SER CB C 13 61.113 0.000 . 1 . . . . 3 S CB . 15563 1 9 . 1 1 3 3 SER N N 15 119.118 0.034 . 1 . . . . 3 S N . 15563 1 10 . 1 1 4 4 ASN H H 1 8.668 0.000 . 1 . . . . 4 N HN . 15563 1 11 . 1 1 4 4 ASN C C 13 172.487 0.056 . 1 . . . . 4 N CO . 15563 1 12 . 1 1 4 4 ASN CA C 13 50.480 0.000 . 1 . . . . 4 N CA . 15563 1 13 . 1 1 4 4 ASN CB C 13 36.035 0.000 . 1 . . . . 4 N CB . 15563 1 14 . 1 1 4 4 ASN N N 15 121.382 0.086 . 1 . . . . 4 N N . 15563 1 15 . 1 1 5 5 LYS H H 1 8.417 0.000 . 1 . . . . 5 K HN . 15563 1 16 . 1 1 5 5 LYS C C 13 173.792 0.040 . 1 . . . . 5 K CO . 15563 1 17 . 1 1 5 5 LYS CA C 13 53.638 0.000 . 1 . . . . 5 K CB . 15563 1 18 . 1 1 5 5 LYS CB C 13 30.154 0.000 . 1 . . . . 5 K CA . 15563 1 19 . 1 1 5 5 LYS N N 15 121.885 0.028 . 1 . . . . 5 K N . 15563 1 20 . 1 1 6 6 SER H H 1 8.320 0.000 . 1 . . . . 6 S HN . 15563 1 21 . 1 1 6 6 SER C C 13 171.183 0.039 . 1 . . . . 6 S CO . 15563 1 22 . 1 1 6 6 SER CA C 13 55.542 0.000 . 1 . . . . 6 S CA . 15563 1 23 . 1 1 6 6 SER CB C 13 61.158 0.000 . 1 . . . . 6 S CB . 15563 1 24 . 1 1 6 6 SER N N 15 117.190 0.041 . 1 . . . . 6 S N . 15563 1 25 . 1 1 7 7 LYS H H 1 8.423 0.000 . 1 . . . . 7 K HN . 15563 1 26 . 1 1 7 7 LYS C C 13 171.706 0.031 . 1 . . . . 7 K CO . 15563 1 27 . 1 1 7 7 LYS CA C 13 51.564 0.000 . 1 . . . . 7 K CA . 15563 1 28 . 1 1 7 7 LYS CB C 13 29.733 0.000 . 1 . . . . 7 K CB . 15563 1 29 . 1 1 7 7 LYS N N 15 124.403 0.034 . 1 . . . . 7 K N . 15563 1 30 . 1 1 8 8 PRO C C 13 174.237 0.001 . 1 . . . . 8 P CO . 15563 1 31 . 1 1 8 8 PRO CA C 13 60.356 0.000 . 1 . . . . 8 P CA . 15563 1 32 . 1 1 8 8 PRO CB C 13 29.363 0.000 . 1 . . . . 8 P CB . 15563 1 33 . 1 1 8 8 PRO N N 15 137.491 0.062 . 1 . . . . 8 P N . 15563 1 34 . 1 1 9 9 LYS H H 1 8.539 0.000 . 1 . . . . 9 K HN . 15563 1 35 . 1 1 9 9 LYS C C 13 173.705 0.033 . 1 . . . . 9 K CO . 15563 1 36 . 1 1 9 9 LYS CA C 13 53.907 0.000 . 1 . . . . 9 K CA . 15563 1 37 . 1 1 9 9 LYS CB C 13 30.137 0.000 . 1 . . . . 9 K CB . 15563 1 38 . 1 1 9 9 LYS N N 15 121.726 0.021 . 1 . . . . 9 K N . 15563 1 39 . 1 1 10 10 ASP H H 1 8.323 0.000 . 1 . . . . 10 D HN . 15563 1 40 . 1 1 10 10 ASP C C 13 173.466 0.033 . 1 . . . . 10 D CO . 15563 1 41 . 1 1 10 10 ASP CA C 13 51.491 0.000 . 1 . . . . 10 D CA . 15563 1 42 . 1 1 10 10 ASP CB C 13 38.515 0.000 . 1 . . . . 10 D CB . 15563 1 43 . 1 1 10 10 ASP N N 15 121.413 0.011 . 1 . . . . 10 D N . 15563 1 44 . 1 1 11 11 ALA H H 1 8.493 0.000 . 1 . . . . 11 A HN . 15563 1 45 . 1 1 11 11 ALA C C 13 175.476 0.029 . 1 . . . . 11 A CO . 15563 1 46 . 1 1 11 11 ALA CA C 13 50.233 0.000 . 1 . . . . 11 A CA . 15563 1 47 . 1 1 11 11 ALA CB C 13 16.116 0.000 . 1 . . . . 11 A CB . 15563 1 48 . 1 1 11 11 ALA N N 15 125.380 0.028 . 1 . . . . 11 A N . 15563 1 49 . 1 1 12 12 SER H H 1 8.394 0.000 . 1 . . . . 12 S HN . 15563 1 50 . 1 1 12 12 SER C C 13 172.567 0.000 . 1 . . . . 12 S CO . 15563 1 51 . 1 1 12 12 SER CA C 13 56.561 0.000 . 1 . . . . 12 S CA . 15563 1 52 . 1 1 12 12 SER CB C 13 60.835 0.000 . 1 . . . . 12 S CB . 15563 1 53 . 1 1 12 12 SER N N 15 114.825 0.046 . 1 . . . . 12 S N . 15563 1 54 . 1 1 13 13 GLN H H 1 8.255 0.000 . 1 . . . . 13 Q HN . 15563 1 55 . 1 1 13 13 GLN C C 13 173.299 0.040 . 1 . . . . 13 Q CO . 15563 1 56 . 1 1 13 13 GLN CA C 13 53.257 0.000 . 1 . . . . 13 Q CB . 15563 1 57 . 1 1 13 13 GLN CB C 13 26.424 0.000 . 1 . . . . 13 Q CA . 15563 1 58 . 1 1 13 13 GLN N N 15 121.498 0.043 . 1 . . . . 13 Q N . 15563 1 59 . 1 1 14 14 ARG H H 1 8.254 0.000 . 1 . . . . 14 R HN . 15563 1 60 . 1 1 14 14 ARG C C 13 173.579 0.003 . 1 . . . . 14 R CO . 15563 1 61 . 1 1 14 14 ARG CA C 13 53.650 0.000 . 1 . . . . 14 R CA . 15563 1 62 . 1 1 14 14 ARG CB C 13 27.919 0.000 . 1 . . . . 14 R CB . 15563 1 63 . 1 1 14 14 ARG N N 15 121.887 0.020 . 1 . . . . 14 R N . 15563 1 64 . 1 1 16 16 ARG C C 13 173.568 0.045 . 1 . . . . 16 R CO . 15563 1 65 . 1 1 16 16 ARG CA C 13 53.606 0.000 . 1 . . . . 16 R CA . 15563 1 66 . 1 1 16 16 ARG CB C 13 28.047 0.000 . 1 . . . . 16 R CB . 15563 1 67 . 1 1 17 17 SER H H 1 8.393 0.000 . 1 . . . . 17 S HN . 15563 1 68 . 1 1 17 17 SER C C 13 171.478 0.016 . 1 . . . . 17 S CO . 15563 1 69 . 1 1 17 17 SER CA C 13 55.676 0.000 . 1 . . . . 17 S CA . 15563 1 70 . 1 1 17 17 SER CB C 13 61.035 0.000 . 1 . . . . 17 S CB . 15563 1 71 . 1 1 17 17 SER N N 15 117.124 0.014 . 1 . . . . 17 S N . 15563 1 72 . 1 1 18 18 LEU H H 1 8.344 0.000 . 1 . . . . 18 L HN . 15563 1 73 . 1 1 18 18 LEU C C 13 174.295 0.100 . 1 . . . . 18 L CO . 15563 1 74 . 1 1 18 18 LEU CA C 13 52.206 0.000 . 1 . . . . 18 L CA . 15563 1 75 . 1 1 18 18 LEU CB C 13 39.491 0.000 . 1 . . . . 18 L CB . 15563 1 76 . 1 1 18 18 LEU N N 15 123.770 0.025 . 1 . . . . 18 L N . 15563 1 77 . 1 1 19 19 GLU H H 1 8.329 0.000 . 1 . . . . 19 E HN . 15563 1 78 . 1 1 19 19 GLU C C 13 171.663 0.073 . 1 . . . . 19 E CO . 15563 1 79 . 1 1 19 19 GLU CA C 13 51.568 0.000 . 1 . . . . 19 E CA . 15563 1 80 . 1 1 19 19 GLU CB C 13 26.589 0.000 . 1 . . . . 19 E CB . 15563 1 81 . 1 1 19 19 GLU N N 15 122.822 0.018 . 1 . . . . 19 E N . 15563 1 82 . 1 1 20 20 PRO C C 13 174.099 0.132 . 1 . . . . 20 P CO . 15563 1 83 . 1 1 20 20 PRO CA C 13 60.626 0.000 . 1 . . . . 20 P CA . 15563 1 84 . 1 1 20 20 PRO CB C 13 29.219 0.000 . 1 . . . . 20 P CB . 15563 1 85 . 1 1 20 20 PRO N N 15 137.484 0.121 . 1 . . . . 20 P N . 15563 1 86 . 1 1 21 21 ALA H H 1 8.459 0.000 . 1 . . . . 21 A HN . 15563 1 87 . 1 1 21 21 ALA C C 13 175.086 0.042 . 1 . . . . 21 A CO . 15563 1 88 . 1 1 21 21 ALA CA C 13 49.981 0.000 . 1 . . . . 21 A CA . 15563 1 89 . 1 1 21 21 ALA CB C 13 16.175 0.000 . 1 . . . . 21 A CB . 15563 1 90 . 1 1 21 21 ALA N N 15 123.880 0.020 . 1 . . . . 21 A N . 15563 1 91 . 1 1 22 22 GLU H H 1 8.378 0.000 . 1 . . . . 22 E HN . 15563 1 92 . 1 1 22 22 GLU C C 13 173.343 0.030 . 1 . . . . 22 E CO . 15563 1 93 . 1 1 22 22 GLU CA C 13 53.729 0.000 . 1 . . . . 22 E CA . 15563 1 94 . 1 1 22 22 GLU CB C 13 27.334 0.000 . 1 . . . . 22 E CB . 15563 1 95 . 1 1 22 22 GLU N N 15 119.229 0.052 . 1 . . . . 22 E N . 15563 1 96 . 1 1 23 23 ASN H H 1 8.459 0.000 . 1 . . . . 23 N HN . 15563 1 97 . 1 1 23 23 ASN C C 13 172.476 0.001 . 1 . . . . 23 N CO . 15563 1 98 . 1 1 23 23 ASN CA C 13 50.315 0.000 . 1 . . . . 23 N CA . 15563 1 99 . 1 1 23 23 ASN CB C 13 35.951 0.000 . 1 . . . . 23 N CB . 15563 1 100 . 1 1 23 23 ASN N N 15 119.773 0.034 . 1 . . . . 23 N N . 15563 1 101 . 1 1 24 24 VAL H H 1 8.059 0.000 . 1 . . . . 24 V HN . 15563 1 102 . 1 1 24 24 VAL C C 13 173.533 0.362 . 1 . . . . 24 V CO . 15563 1 103 . 1 1 24 24 VAL CA C 13 59.834 0.000 . 1 . . . . 24 V CA . 15563 1 104 . 1 1 24 24 VAL CB C 13 29.576 0.000 . 1 . . . . 24 V CB . 15563 1 105 . 1 1 24 24 VAL N N 15 120.043 0.018 . 1 . . . . 24 V N . 15563 1 106 . 1 1 25 25 HIS H H 1 8.627 0.000 . 1 . . . . 25 H HN . 15563 1 107 . 1 1 25 25 HIS C C 13 172.113 0.050 . 1 . . . . 25 H CO . 15563 1 108 . 1 1 25 25 HIS CA C 13 52.568 0.000 . 1 . . . . 25 H CA . 15563 1 109 . 1 1 25 25 HIS CB C 13 26.113 0.000 . 1 . . . . 25 H CB . 15563 1 110 . 1 1 25 25 HIS N N 15 121.425 0.045 . 1 . . . . 25 H N . 15563 1 111 . 1 1 26 26 GLY H H 1 8.386 0.000 . 1 . . . . 26 G HN . 15563 1 112 . 1 1 26 26 GLY C C 13 171.012 0.029 . 1 . . . . 26 G CO . 15563 1 113 . 1 1 26 26 GLY CA C 13 42.382 0.000 . 1 . . . . 26 G CA . 15563 1 114 . 1 1 26 26 GLY N N 15 110.046 0.022 . 1 . . . . 26 G N . 15563 1 115 . 1 1 27 27 ALA H H 1 8.367 0.000 . 1 . . . . 27 A HN . 15563 1 116 . 1 1 27 27 ALA C C 13 175.651 0.038 . 1 . . . . 27 A CO . 15563 1 117 . 1 1 27 27 ALA CA C 13 49.938 0.000 . 1 . . . . 27 A CA . 15563 1 118 . 1 1 27 27 ALA CB C 13 16.376 0.000 . 1 . . . . 27 A CB . 15563 1 119 . 1 1 27 27 ALA N N 15 123.844 0.027 . 1 . . . . 27 A N . 15563 1 120 . 1 1 28 28 GLY H H 1 8.534 0.000 . 1 . . . . 28 G HN . 15563 1 121 . 1 1 28 28 GLY C C 13 172.037 0.071 . 1 . . . . 28 G CO . 15563 1 122 . 1 1 28 28 GLY CA C 13 42.596 0.000 . 1 . . . . 28 G CA . 15563 1 123 . 1 1 28 28 GLY N N 15 108.351 0.028 . 1 . . . . 28 G N . 15563 1 124 . 1 1 29 29 GLY H H 1 8.339 0.000 . 1 . . . . 29 G HN . 15563 1 125 . 1 1 29 29 GLY C C 13 171.840 0.112 . 1 . . . . 29 G CO . 15563 1 126 . 1 1 29 29 GLY CA C 13 42.624 0.000 . 1 . . . . 29 G CA . 15563 1 127 . 1 1 29 29 GLY N N 15 108.581 0.075 . 1 . . . . 29 G N . 15563 1 128 . 1 1 30 30 GLY H H 1 8.291 0.000 . 1 . . . . 30 G HN . 15563 1 129 . 1 1 30 30 GLY C C 13 170.780 0.035 . 1 . . . . 30 G CO . 15563 1 130 . 1 1 30 30 GLY CA C 13 42.215 0.000 . 1 . . . . 30 G CA . 15563 1 131 . 1 1 30 30 GLY N N 15 108.532 0.080 . 1 . . . . 30 G N . 15563 1 132 . 1 1 31 31 ALA H H 1 8.260 0.000 . 1 . . . . 31 A HN . 15563 1 133 . 1 1 31 31 ALA C C 13 174.261 0.038 . 1 . . . . 31 A CO . 15563 1 134 . 1 1 31 31 ALA CA C 13 49.517 0.000 . 1 . . . . 31 A CA . 15563 1 135 . 1 1 31 31 ALA CB C 13 16.444 0.000 . 1 . . . . 31 A CB . 15563 1 136 . 1 1 31 31 ALA N N 15 123.256 0.045 . 1 . . . . 31 A N . 15563 1 137 . 1 1 32 32 PHE H H 1 8.229 0.000 . 1 . . . . 32 F HN . 15563 1 138 . 1 1 32 32 PHE C C 13 171.119 0.003 . 1 . . . . 32 F CO . 15563 1 139 . 1 1 32 32 PHE CA C 13 52.841 0.000 . 1 . . . . 32 F CA . 15563 1 140 . 1 1 32 32 PHE CB C 13 36.232 0.000 . 1 . . . . 32 F CB . 15563 1 141 . 1 1 32 32 PHE N N 15 120.143 0.016 . 1 . . . . 32 F N . 15563 1 142 . 1 1 33 33 PRO C C 13 173.910 0.027 . 1 . . . . 33 P CO . 15563 1 143 . 1 1 33 33 PRO CA C 13 60.380 0.000 . 1 . . . . 33 P CA . 15563 1 144 . 1 1 33 33 PRO CB C 13 29.224 0.000 . 1 . . . . 33 P CB . 15563 1 145 . 1 1 33 33 PRO N N 15 137.342 0.010 . 1 . . . . 33 P N . 15563 1 146 . 1 1 34 34 ALA H H 1 8.557 0.000 . 1 . . . . 34 A HN . 15563 1 147 . 1 1 34 34 ALA C C 13 175.175 0.018 . 1 . . . . 34 A CO . 15563 1 148 . 1 1 34 34 ALA CA C 13 49.863 0.000 . 1 . . . . 34 A CA . 15563 1 149 . 1 1 34 34 ALA CB C 13 16.283 0.000 . 1 . . . . 34 A CB . 15563 1 150 . 1 1 34 34 ALA N N 15 124.621 0.112 . 1 . . . . 34 A N . 15563 1 151 . 1 1 35 35 SER H H 1 8.324 0.000 . 1 . . . . 35 S HN . 15563 1 152 . 1 1 35 35 SER C C 13 171.751 0.042 . 1 . . . . 35 S CO . 15563 1 153 . 1 1 35 35 SER CA C 13 55.583 0.000 . 1 . . . . 35 S CA . 15563 1 154 . 1 1 35 35 SER CB C 13 61.040 0.000 . 1 . . . . 35 S CB . 15563 1 155 . 1 1 35 35 SER N N 15 114.743 0.081 . 1 . . . . 35 S N . 15563 1 156 . 1 1 36 36 GLN H H 1 8.428 0.000 . 1 . . . . 36 Q HN . 15563 1 157 . 1 1 36 36 GLN C C 13 172.995 0.043 . 1 . . . . 36 Q CO . 15563 1 158 . 1 1 36 36 GLN CA C 13 52.952 0.000 . 1 . . . . 36 Q CA . 15563 1 159 . 1 1 36 36 GLN CB C 13 26.858 0.000 . 1 . . . . 36 Q CB . 15563 1 160 . 1 1 36 36 GLN N N 15 121.991 0.036 . 1 . . . . 36 Q N . 15563 1 161 . 1 1 37 37 THR H H 1 8.312 0.000 . 1 . . . . 37 T HN . 15563 1 162 . 1 1 37 37 THR C C 13 169.938 0.037 . 1 . . . . 37 T CO . 15563 1 163 . 1 1 37 37 THR CA C 13 57.175 0.000 . 1 . . . . 37 T CA . 15563 1 164 . 1 1 37 37 THR CB C 13 66.961 0.000 . 1 . . . . 37 T CB . 15563 1 165 . 1 1 37 37 THR N N 15 118.399 0.037 . 1 . . . . 37 T N . 15563 1 166 . 1 1 38 38 PRO C C 13 174.108 0.024 . 1 . . . . 38 P CO . 15563 1 167 . 1 1 38 38 PRO CA C 13 60.492 0.000 . 1 . . . . 38 P CA . 15563 1 168 . 1 1 38 38 PRO CB C 13 29.377 0.024 . 1 . . . . 38 P CB . 15563 1 169 . 1 1 38 38 PRO N N 15 139.230 0.006 . 1 . . . . 38 P N . 15563 1 170 . 1 1 39 39 SER H H 1 8.471 0.000 . 1 . . . . 39 S HN . 15563 1 171 . 1 1 39 39 SER C C 13 171.297 0.054 . 1 . . . . 39 S CO . 15563 1 172 . 1 1 39 39 SER CA C 13 55.663 0.000 . 1 . . . . 39 S CA . 15563 1 173 . 1 1 39 39 SER CB C 13 61.079 0.000 . 1 . . . . 39 S CB . 15563 1 174 . 1 1 39 39 SER N N 15 116.822 0.042 . 1 . . . . 39 S N . 15563 1 175 . 1 1 40 40 LYS H H 1 8.366 0.000 . 1 . . . . 40 K HN . 15563 1 176 . 1 1 40 40 LYS C C 13 171.552 0.034 . 1 . . . . 40 K CO . 15563 1 177 . 1 1 40 40 LYS CA C 13 51.530 0.000 . 1 . . . . 40 K CA . 15563 1 178 . 1 1 40 40 LYS CB C 13 29.893 0.000 . 1 . . . . 40 K CB . 15563 1 179 . 1 1 40 40 LYS N N 15 124.019 0.059 . 1 . . . . 40 K N . 15563 1 180 . 1 1 41 41 PRO C C 13 173.955 0.008 . 1 . . . . 41 P CO . 15563 1 181 . 1 1 41 41 PRO CA C 13 60.386 0.000 . 1 . . . . 41 P CA . 15563 1 182 . 1 1 41 41 PRO CB C 13 29.220 0.000 . 1 . . . . 41 P CB . 15563 1 183 . 1 1 41 41 PRO N N 15 137.407 0.064 . 1 . . . . 41 P N . 15563 1 184 . 1 1 42 42 ALA H H 1 8.470 0.000 . 1 . . . . 42 A HN . 15563 1 185 . 1 1 42 42 ALA C C 13 175.256 0.004 . 1 . . . . 42 A CO . 15563 1 186 . 1 1 42 42 ALA CA C 13 49.996 0.000 . 1 . . . . 42 A CA . 15563 1 187 . 1 1 42 42 ALA CB C 13 16.217 0.000 . 1 . . . . 42 A CB . 15563 1 188 . 1 1 42 42 ALA N N 15 124.441 0.000 . 1 . . . . 42 A N . 15563 1 189 . 1 1 43 43 SER H H 1 8.320 0.000 . 1 . . . . 43 S HN . 15563 1 190 . 1 1 43 43 SER C C 13 171.582 0.005 . 1 . . . . 43 S CO . 15563 1 191 . 1 1 43 43 SER CA C 13 55.635 0.000 . 1 . . . . 43 S CA . 15563 1 192 . 1 1 43 43 SER CB C 13 61.052 0.000 . 1 . . . . 43 S CB . 15563 1 193 . 1 1 43 43 SER N N 15 114.492 0.023 . 1 . . . . 43 S N . 15563 1 194 . 1 1 44 44 ALA H H 1 8.323 0.000 . 1 . . . . 44 A HN . 15563 1 195 . 1 1 44 44 ALA C C 13 174.581 0.072 . 1 . . . . 44 A CO . 15563 1 196 . 1 1 44 44 ALA CA C 13 49.353 0.000 . 1 . . . . 44 A CA . 15563 1 197 . 1 1 44 44 ALA CB C 13 16.505 0.000 . 1 . . . . 44 A CB . 15563 1 198 . 1 1 44 44 ALA N N 15 125.895 0.014 . 1 . . . . 44 A N . 15563 1 199 . 1 1 45 45 ASP H H 1 8.348 0.000 . 1 . . . . 45 D HN . 15563 1 200 . 1 1 45 45 ASP C C 13 174.177 0.199 . 1 . . . . 45 D CO . 15563 1 201 . 1 1 45 45 ASP CA C 13 51.608 0.000 . 1 . . . . 45 D CA . 15563 1 202 . 1 1 45 45 ASP CB C 13 38.266 0.000 . 1 . . . . 45 D CB . 15563 1 203 . 1 1 45 45 ASP N N 15 121.484 0.027 . 1 . . . . 45 D N . 15563 1 204 . 1 1 46 46 GLY H H 1 8.331 0.000 . 1 . . . . 46 G HN . 15563 1 205 . 1 1 46 46 GLY C C 13 171.551 0.014 . 1 . . . . 46 G CO . 15563 1 206 . 1 1 46 46 GLY CA C 13 42.727 0.000 . 1 . . . . 46 G CA . 15563 1 207 . 1 1 46 46 GLY N N 15 109.092 0.078 . 1 . . . . 46 G N . 15563 1 208 . 1 1 47 47 HIS H H 1 8.407 0.000 . 1 . . . . 47 H HN . 15563 1 209 . 1 1 47 47 HIS C C 13 171.625 0.031 . 1 . . . . 47 H CO . 15563 1 210 . 1 1 47 47 HIS CA C 13 52.925 0.000 . 1 . . . . 47 H CA . 15563 1 211 . 1 1 47 47 HIS CB C 13 25.760 0.000 . 1 . . . . 47 H CB . 15563 1 212 . 1 1 47 47 HIS N N 15 118.097 0.026 . 1 . . . . 47 H N . 15563 1 213 . 1 1 48 48 ARG H H 1 8.424 0.000 . 1 . . . . 48 R HN . 15563 1 214 . 1 1 48 48 ARG C C 13 173.514 0.042 . 1 . . . . 48 R CO . 15563 1 215 . 1 1 48 48 ARG CA C 13 53.262 0.000 . 1 . . . . 48 R CA . 15563 1 216 . 1 1 48 48 ARG CB C 13 28.288 0.000 . 1 . . . . 48 R CB . 15563 1 217 . 1 1 48 48 ARG N N 15 122.277 0.030 . 1 . . . . 48 R N . 15563 1 218 . 1 1 49 49 GLY H H 1 8.372 0.000 . 1 . . . . 49 G HN . 15563 1 219 . 1 1 49 49 GLY C C 13 168.976 0.040 . 1 . . . . 49 G CO . 15563 1 220 . 1 1 49 49 GLY CA C 13 41.671 0.000 . 1 . . . . 49 G CA . 15563 1 221 . 1 1 49 49 GLY N N 15 110.275 0.013 . 1 . . . . 49 G N . 15563 1 222 . 1 1 50 50 PRO C C 13 174.509 0.002 . 1 . . . . 50 P CO . 15563 1 223 . 1 1 50 50 PRO CA C 13 60.570 0.000 . 1 . . . . 50 P CA . 15563 1 224 . 1 1 50 50 PRO CB C 13 29.403 0.000 . 1 . . . . 50 P CB . 15563 1 225 . 1 1 50 50 PRO N N 15 134.173 0.053 . 1 . . . . 50 P N . 15563 1 226 . 1 1 51 51 SER H H 1 8.485 0.000 . 1 . . . . 51 S HN . 15563 1 227 . 1 1 51 51 SER C C 13 171.767 0.130 . 1 . . . . 51 S CO . 15563 1 228 . 1 1 51 51 SER CA C 13 55.525 0.000 . 1 . . . . 51 S CA . 15563 1 229 . 1 1 51 51 SER CB C 13 61.162 0.000 . 1 . . . . 51 S CB . 15563 1 230 . 1 1 51 51 SER N N 15 116.116 0.014 . 1 . . . . 51 S N . 15563 1 231 . 1 1 52 52 ALA H H 1 8.474 0.000 . 1 . . . . 52 A HN . 15563 1 232 . 1 1 52 52 ALA C C 13 174.509 0.002 . 1 . . . . 52 A CO . 15563 1 233 . 1 1 52 52 ALA CA C 13 49.541 0.000 . 1 . . . . 52 A CA . 15563 1 234 . 1 1 52 52 ALA CB C 13 16.427 0.000 . 1 . . . . 52 A CB . 15563 1 235 . 1 1 52 52 ALA N N 15 126.091 0.086 . 1 . . . . 52 A N . 15563 1 236 . 1 1 53 53 ALA H H 1 8.107 0.000 . 1 . . . . 53 A HN . 15563 1 237 . 1 1 53 53 ALA C C 13 174.711 0.053 . 1 . . . . 53 A CO . 15563 1 238 . 1 1 53 53 ALA CA C 13 50.087 0.000 . 1 . . . . 53 A CA . 15563 1 239 . 1 1 53 53 ALA CB C 13 16.111 0.000 . 1 . . . . 53 A CB . 15563 1 240 . 1 1 53 53 ALA N N 15 123.219 0.017 . 1 . . . . 53 A N . 15563 1 241 . 1 1 54 54 PHE H H 1 8.242 0.000 . 1 . . . . 54 F HN . 15563 1 242 . 1 1 54 54 PHE C C 13 172.062 0.000 . 1 . . . . 54 F CO . 15563 1 243 . 1 1 54 54 PHE CA C 13 54.599 0.000 . 1 . . . . 54 F CA . 15563 1 244 . 1 1 54 54 PHE CB C 13 36.886 0.000 . 1 . . . . 54 F CB . 15563 1 245 . 1 1 54 54 PHE N N 15 119.021 0.003 . 1 . . . . 54 F N . 15563 1 246 . 1 1 55 55 ALA H H 1 8.136 0.000 . 1 . . . . 55 A HN . 15563 1 247 . 1 1 55 55 ALA C C 13 171.973 0.003 . 1 . . . . 55 A CO . 15563 1 248 . 1 1 55 55 ALA CA C 13 47.393 0.000 . 1 . . . . 55 A CA . 15563 1 249 . 1 1 55 55 ALA CB C 13 15.706 0.000 . 1 . . . . 55 A CB . 15563 1 250 . 1 1 55 55 ALA N N 15 127.300 0.033 . 1 . . . . 55 A N . 15563 1 251 . 1 1 56 56 PRO C C 13 173.894 0.002 . 1 . . . . 56 P CO . 15563 1 252 . 1 1 56 56 PRO CA C 13 60.205 0.000 . 1 . . . . 56 P CA . 15563 1 253 . 1 1 56 56 PRO CB C 13 29.287 0.000 . 1 . . . . 56 P CB . 15563 1 254 . 1 1 56 56 PRO N N 15 135.327 0.001 . 1 . . . . 56 P N . 15563 1 255 . 1 1 57 57 ALA H H 1 8.406 0.000 . 1 . . . . 57 A HN . 15563 1 256 . 1 1 57 57 ALA C C 13 174.764 0.001 . 1 . . . . 57 A CO . 15563 1 257 . 1 1 57 57 ALA CA C 13 49.622 0.000 . 1 . . . . 57 A CA . 15563 1 258 . 1 1 57 57 ALA CB C 13 16.286 0.000 . 1 . . . . 57 A CB . 15563 1 259 . 1 1 57 57 ALA N N 15 124.173 0.007 . 1 . . . . 57 A N . 15563 1 260 . 1 1 58 58 ALA H H 1 8.285 0.000 . 1 . . . . 58 A HN . 15563 1 261 . 1 1 58 58 ALA C C 13 174.465 0.007 . 1 . . . . 58 A CO . 15563 1 262 . 1 1 58 58 ALA CA C 13 49.752 0.000 . 1 . . . . 58 A CA . 15563 1 263 . 1 1 58 58 ALA CB C 13 16.314 0.000 . 1 . . . . 58 A CB . 15563 1 264 . 1 1 58 58 ALA N N 15 123.386 0.013 . 1 . . . . 58 A N . 15563 1 265 . 1 1 59 59 ALA H H 1 8.166 0.000 . 1 . . . . 59 A HN . 15563 1 266 . 1 1 59 59 ALA C C 13 171.073 0.004 . 1 . . . . 59 A CO . 15563 1 267 . 1 1 59 59 ALA CA C 13 49.023 0.000 . 1 . . . . 59 A CA . 15563 1 268 . 1 1 59 59 ALA CB C 13 16.511 0.000 . 1 . . . . 59 A CB . 15563 1 269 . 1 1 59 59 ALA N N 15 122.674 0.013 . 1 . . . . 59 A N . 15563 1 270 . 1 1 60 60 GLU H H 1 8.751 0.000 . 1 . . . . 60 E HN . 15563 1 271 . 1 1 60 60 GLU C C 13 171.956 0.429 . 1 . . . . 60 E CO . 15563 1 272 . 1 1 60 60 GLU CA C 13 51.536 0.000 . 1 . . . . 60 E CA . 15563 1 273 . 1 1 60 60 GLU CB C 13 26.587 0.000 . 1 . . . . 60 E CB . 15563 1 274 . 1 1 60 60 GLU N N 15 115.435 0.013 . 1 . . . . 60 E N . 15563 1 275 . 1 1 61 61 PRO C C 13 173.982 0.005 . 1 . . . . 61 P CO . 15563 1 276 . 1 1 61 61 PRO CA C 13 60.513 0.000 . 1 . . . . 61 P CA . 15563 1 277 . 1 1 61 61 PRO CB C 13 29.299 0.000 . 1 . . . . 61 P CB . 15563 1 278 . 1 1 61 61 PRO N N 15 137.515 0.148 . 1 . . . . 61 P N . 15563 1 279 . 1 1 62 62 LYS H H 1 8.416 0.000 . 1 . . . . 62 K HN . 15563 1 280 . 1 1 62 62 LYS C C 13 173.569 0.017 . 1 . . . . 62 K CO . 15563 1 281 . 1 1 62 62 LYS CA C 13 53.376 0.000 . 1 . . . . 62 K CA . 15563 1 282 . 1 1 62 62 LYS CB C 13 30.092 0.000 . 1 . . . . 62 K CB . 15563 1 283 . 1 1 62 62 LYS N N 15 121.292 0.015 . 1 . . . . 62 K N . 15563 1 284 . 1 1 63 63 LEU H H 1 8.205 0.000 . 1 . . . . 63 L HN . 15563 1 285 . 1 1 63 63 LEU C C 13 174.140 0.075 . 1 . . . . 63 L CO . 15563 1 286 . 1 1 63 63 LEU CA C 13 52.140 0.000 . 1 . . . . 63 L CA . 15563 1 287 . 1 1 63 63 LEU CB C 13 39.681 0.000 . 1 . . . . 63 L CB . 15563 1 288 . 1 1 63 63 LEU N N 15 123.141 0.018 . 1 . . . . 63 L N . 15563 1 289 . 1 1 64 64 PHE H H 1 8.343 0.000 . 1 . . . . 64 F HN . 15563 1 290 . 1 1 64 64 PHE C C 13 173.398 0.032 . 1 . . . . 64 F CO . 15563 1 291 . 1 1 64 64 PHE CA C 13 55.012 0.000 . 1 . . . . 64 F CA . 15563 1 292 . 1 1 64 64 PHE CB C 13 36.804 0.000 . 1 . . . . 64 F CB . 15563 1 293 . 1 1 64 64 PHE N N 15 120.941 0.024 . 1 . . . . 64 F N . 15563 1 294 . 1 1 65 65 GLY H H 1 8.376 0.000 . 1 . . . . 65 G HN . 15563 1 295 . 1 1 65 65 GLY C C 13 171.567 0.039 . 1 . . . . 65 G CO . 15563 1 296 . 1 1 65 65 GLY CA C 13 42.559 0.000 . 1 . . . . 65 G CA . 15563 1 297 . 1 1 65 65 GLY N N 15 110.990 0.054 . 1 . . . . 65 G N . 15563 1 298 . 1 1 66 66 GLY H H 1 7.799 0.000 . 1 . . . . 66 G HN . 15563 1 299 . 1 1 66 66 GLY C C 13 170.974 0.042 . 1 . . . . 66 G CO . 15563 1 300 . 1 1 66 66 GLY CA C 13 42.228 0.000 . 1 . . . . 66 G CA . 15563 1 301 . 1 1 66 66 GLY N N 15 107.749 0.063 . 1 . . . . 66 G N . 15563 1 302 . 1 1 67 67 PHE H H 1 8.171 0.000 . 1 . . . . 67 F HN . 15563 1 303 . 1 1 67 67 PHE C C 13 172.611 0.006 . 1 . . . . 67 F CO . 15563 1 304 . 1 1 67 67 PHE CA C 13 54.604 0.000 . 1 . . . . 67 F CA . 15563 1 305 . 1 1 67 67 PHE CB C 13 36.818 0.000 . 1 . . . . 67 F CB . 15563 1 306 . 1 1 67 67 PHE N N 15 120.206 1.036 . 1 . . . . 67 F N . 15563 1 307 . 1 1 68 68 ASN H H 1 8.311 0.000 . 1 . . . . 68 N HN . 15563 1 308 . 1 1 68 68 ASN C C 13 172.603 0.674 . 1 . . . . 68 N CO . 15563 1 309 . 1 1 68 68 ASN CA C 13 50.227 0.000 . 1 . . . . 68 N CA . 15563 1 310 . 1 1 68 68 ASN CB C 13 36.285 0.000 . 1 . . . . 68 N CB . 15563 1 311 . 1 1 68 68 ASN N N 15 122.497 0.014 . 1 . . . . 68 N N . 15563 1 312 . 1 1 69 69 SER H H 1 8.362 0.000 . 1 . . . . 69 S HN . 15563 1 313 . 1 1 69 69 SER C C 13 172.021 0.005 . 1 . . . . 69 S CO . 15563 1 314 . 1 1 69 69 SER CA C 13 55.992 0.000 . 1 . . . . 69 S CA . 15563 1 315 . 1 1 69 69 SER CB C 13 60.997 0.000 . 1 . . . . 69 S CB . 15563 1 316 . 1 1 69 69 SER N N 15 116.799 0.016 . 1 . . . . 69 S N . 15563 1 317 . 1 1 70 70 SER H H 1 8.408 0.000 . 1 . . . . 70 S HN . 15563 1 318 . 1 1 70 70 SER C C 13 171.531 0.036 . 1 . . . . 70 S CO . 15563 1 319 . 1 1 70 70 SER CA C 13 55.977 0.000 . 1 . . . . 70 S CA . 15563 1 320 . 1 1 70 70 SER CB C 13 60.991 0.000 . 1 . . . . 70 S CB . 15563 1 321 . 1 1 70 70 SER N N 15 117.324 0.073 . 1 . . . . 70 S N . 15563 1 322 . 1 1 71 71 ASP H H 1 8.289 0.000 . 1 . . . . 71 D HN . 15563 1 323 . 1 1 71 71 ASP C C 13 173.493 0.003 . 1 . . . . 71 D CO . 15563 1 324 . 1 1 71 71 ASP CA C 13 51.654 0.000 . 1 . . . . 71 D CA . 15563 1 325 . 1 1 71 71 ASP CB C 13 37.935 0.000 . 1 . . . . 71 D CB . 15563 1 326 . 1 1 71 71 ASP N N 15 121.799 0.037 . 1 . . . . 71 D N . 15563 1 327 . 1 1 72 72 THR H H 1 8.102 0.000 . 1 . . . . 72 T HN . 15563 1 328 . 1 1 72 72 THR C C 13 171.862 0.056 . 1 . . . . 72 T CO . 15563 1 329 . 1 1 72 72 THR CA C 13 59.402 0.000 . 1 . . . . 72 T CA . 15563 1 330 . 1 1 72 72 THR CB C 13 67.031 0.000 . 1 . . . . 72 T CB . 15563 1 331 . 1 1 72 72 THR N N 15 114.196 0.039 . 1 . . . . 72 T N . 15563 1 332 . 1 1 73 73 VAL H H 1 8.189 0.000 . 1 . . . . 73 V HN . 15563 1 333 . 1 1 73 73 VAL C C 13 173.568 0.054 . 1 . . . . 73 V CO . 15563 1 334 . 1 1 73 73 VAL CA C 13 59.881 0.000 . 1 . . . . 73 V CA . 15563 1 335 . 1 1 73 73 VAL CB C 13 29.940 0.000 . 1 . . . . 73 V CB . 15563 1 336 . 1 1 73 73 VAL N N 15 122.576 0.043 . 1 . . . . 73 V N . 15563 1 337 . 1 1 74 74 THR H H 1 8.273 0.000 . 1 . . . . 74 T HN . 15563 1 338 . 1 1 74 74 THR C C 13 171.509 0.044 . 1 . . . . 74 T CO . 15563 1 339 . 1 1 74 74 THR CA C 13 59.081 0.000 . 1 . . . . 74 T CA . 15563 1 340 . 1 1 74 74 THR CB C 13 66.994 0.000 . 1 . . . . 74 T CB . 15563 1 341 . 1 1 74 74 THR N N 15 117.645 0.096 . 1 . . . . 74 T N . 15563 1 342 . 1 1 75 75 SER H H 1 8.311 0.000 . 1 . . . . 75 S HN . 15563 1 343 . 1 1 75 75 SER C C 13 170.110 0.407 . 1 . . . . 75 S CO . 15563 1 344 . 1 1 75 75 SER CA C 13 53.714 0.000 . 1 . . . . 75 S CA . 15563 1 345 . 1 1 75 75 SER CB C 13 60.616 0.000 . 1 . . . . 75 S CB . 15563 1 346 . 1 1 75 75 SER N N 15 119.406 0.042 . 1 . . . . 75 S N . 15563 1 347 . 1 1 76 76 PRO C C 13 174.219 0.052 . 1 . . . . 76 P CO . 15563 1 348 . 1 1 76 76 PRO CA C 13 60.751 0.000 . 1 . . . . 76 P CA . 15563 1 349 . 1 1 76 76 PRO CB C 13 29.204 0.000 . 1 . . . . 76 P CB . 15563 1 350 . 1 1 76 76 PRO N N 15 137.786 0.020 . 1 . . . . 76 P N . 15563 1 351 . 1 1 77 77 GLN H H 1 8.444 0.000 . 1 . . . . 77 Q HN . 15563 1 352 . 1 1 77 77 GLN C C 13 173.223 0.073 . 1 . . . . 77 Q CO . 15563 1 353 . 1 1 77 77 GLN CA C 13 53.203 0.000 . 1 . . . . 77 Q CA . 15563 1 354 . 1 1 77 77 GLN CB C 13 26.557 0.000 . 1 . . . . 77 Q CB . 15563 1 355 . 1 1 77 77 GLN N N 15 120.091 0.032 . 1 . . . . 77 Q N . 15563 1 356 . 1 1 78 78 ARG H H 1 8.340 0.000 . 1 . . . . 78 R HN . 15563 1 357 . 1 1 78 78 ARG C C 13 172.860 0.049 . 1 . . . . 78 R CO . 15563 1 358 . 1 1 78 78 ARG CA C 13 53.159 0.000 . 1 . . . . 78 R CA . 15563 1 359 . 1 1 78 78 ARG CB C 13 28.068 0.000 . 1 . . . . 78 R CB . 15563 1 360 . 1 1 78 78 ARG N N 15 122.386 0.032 . 1 . . . . 78 R N . 15563 1 361 . 1 1 79 79 ALA H H 1 8.359 0.000 . 1 . . . . 79 A HN . 15563 1 362 . 1 1 79 79 ALA C C 13 174.864 0.044 . 1 . . . . 79 A CO . 15563 1 363 . 1 1 79 79 ALA CA C 13 49.605 0.000 . 1 . . . . 79 A CA . 15563 1 364 . 1 1 79 79 ALA CB C 13 16.843 0.000 . 1 . . . . 79 A CB . 15563 1 365 . 1 1 79 79 ALA N N 15 125.329 0.016 . 1 . . . . 79 A N . 15563 1 366 . 1 1 80 80 GLY H H 1 8.226 0.000 . 1 . . . . 80 G HN . 15563 1 367 . 1 1 80 80 GLY C C 13 169.148 0.046 . 1 . . . . 80 G CO . 15563 1 368 . 1 1 80 80 GLY CA C 13 41.765 0.000 . 1 . . . . 80 G CA . 15563 1 369 . 1 1 80 80 GLY N N 15 108.433 0.017 . 1 . . . . 80 G N . 15563 1 370 . 1 1 81 81 PRO C C 13 174.539 0.003 . 1 . . . . 81 P CO . 15563 1 371 . 1 1 81 81 PRO CA C 13 60.568 0.000 . 1 . . . . 81 P CA . 15563 1 372 . 1 1 81 81 PRO CB C 13 29.327 0.000 . 1 . . . . 81 P CB . 15563 1 373 . 1 1 81 81 PRO N N 15 133.859 0.013 . 1 . . . . 81 P N . 15563 1 374 . 1 1 82 82 LEU H H 1 8.382 0.000 . 1 . . . . 82 L HN . 15563 1 375 . 1 1 82 82 LEU C C 13 174.596 0.035 . 1 . . . . 82 L CO . 15563 1 376 . 1 1 82 82 LEU CA C 13 52.366 0.000 . 1 . . . . 82 L CA . 15563 1 377 . 1 1 82 82 LEU CB C 13 39.266 0.000 . 1 . . . . 82 L CB . 15563 1 378 . 1 1 82 82 LEU N N 15 121.611 0.019 . 1 . . . . 82 L N . 15563 1 379 . 1 1 83 83 ALA H H 1 8.231 0.000 . 1 . . . . 83 A HN . 15563 1 380 . 1 1 83 83 ALA C C 13 175.325 0.038 . 1 . . . . 83 A CO . 15563 1 381 . 1 1 83 83 ALA CA C 13 49.963 0.000 . 1 . . . . 83 A CA . 15563 1 382 . 1 1 83 83 ALA CB C 13 16.254 0.000 . 1 . . . . 83 A CB . 15563 1 383 . 1 1 83 83 ALA N N 15 124.589 0.042 . 1 . . . . 83 A N . 15563 1 384 . 1 1 84 84 GLY H H 1 8.319 0.000 . 1 . . . . 84 G HN . 15563 1 385 . 1 1 84 84 GLY C C 13 171.988 0.041 . 1 . . . . 84 G CO . 15563 1 386 . 1 1 84 84 GLY CA C 13 42.555 0.000 . 1 . . . . 84 G CA . 15563 1 387 . 1 1 84 84 GLY N N 15 108.022 0.017 . 1 . . . . 84 G N . 15563 1 388 . 1 1 85 85 GLY H H 1 8.259 0.000 . 1 . . . . 85 G HN . 15563 1 389 . 1 1 85 85 GLY C C 13 171.563 0.044 . 1 . . . . 85 G CO . 15563 1 390 . 1 1 85 85 GLY CA C 13 42.461 0.000 . 1 . . . . 85 G CA . 15563 1 391 . 1 1 85 85 GLY N N 15 108.488 0.050 . 1 . . . . 85 G N . 15563 1 392 . 1 1 86 86 SER H H 1 8.291 0.000 . 1 . . . . 86 S HN . 15563 1 393 . 1 1 86 86 SER C C 13 171.813 0.039 . 1 . . . . 86 S CO . 15563 1 394 . 1 1 86 86 SER CA C 13 55.695 0.000 . 1 . . . . 86 S CA . 15563 1 395 . 1 1 86 86 SER CB C 13 61.130 0.000 . 1 . . . . 86 S CB . 15563 1 396 . 1 1 86 86 SER N N 15 115.466 0.021 . 1 . . . . 86 S N . 15563 1 397 . 1 1 87 87 ALA H H 1 8.366 0.000 . 1 . . . . 87 A HN . 15563 1 398 . 1 1 87 87 ALA C C 13 174.685 0.039 . 1 . . . . 87 A CO . 15563 1 399 . 1 1 87 87 ALA CA C 13 50.072 0.000 . 1 . . . . 87 A CA . 15563 1 400 . 1 1 87 87 ALA CB C 13 16.099 0.000 . 1 . . . . 87 A CB . 15563 1 401 . 1 1 87 87 ALA N N 15 125.288 0.008 . 1 . . . . 87 A N . 15563 1 402 . 1 1 88 88 TRP H H 1 7.929 0.000 . 1 . . . . 88 W HN . 15563 1 403 . 1 1 88 88 TRP C C 13 173.340 0.033 . 1 . . . . 88 W CO . 15563 1 404 . 1 1 88 88 TRP CA C 13 54.356 0.000 . 1 . . . . 88 W CA . 15563 1 405 . 1 1 88 88 TRP CB C 13 26.641 0.000 . 1 . . . . 88 W CB . 15563 1 406 . 1 1 88 88 TRP N N 15 118.862 0.073 . 1 . . . . 88 W N . 15563 1 407 . 1 1 89 89 SER H H 1 7.911 0.000 . 1 . . . . 89 S HN . 15563 1 408 . 1 1 89 89 SER C C 13 170.688 0.039 . 1 . . . . 89 S CO . 15563 1 409 . 1 1 89 89 SER CA C 13 55.413 0.000 . 1 . . . . 89 S CA . 15563 1 410 . 1 1 89 89 SER CB C 13 61.022 0.000 . 1 . . . . 89 S CB . 15563 1 411 . 1 1 89 89 SER N N 15 116.824 0.012 . 1 . . . . 89 S N . 15563 1 412 . 1 1 90 90 HIS H H 1 8.192 0.000 . 1 . . . . 90 H HN . 15563 1 413 . 1 1 90 90 HIS C C 13 169.287 0.035 . 1 . . . . 90 H CO . 15563 1 414 . 1 1 90 90 HIS CA C 13 50.547 0.000 . 1 . . . . 90 H CA . 15563 1 415 . 1 1 90 90 HIS CB C 13 25.709 0.000 . 1 . . . . 90 H CB . 15563 1 416 . 1 1 90 90 HIS N N 15 120.097 0.021 . 1 . . . . 90 H N . 15563 1 417 . 1 1 91 91 PRO C C 13 173.940 0.040 . 1 . . . . 91 P CO . 15563 1 418 . 1 1 91 91 PRO CA C 13 60.547 0.000 . 1 . . . . 91 P CA . 15563 1 419 . 1 1 91 91 PRO CB C 13 29.322 0.000 . 1 . . . . 91 P CB . 15563 1 420 . 1 1 91 91 PRO N N 15 137.024 0.037 . 1 . . . . 91 P N . 15563 1 421 . 1 1 92 92 GLN H H 1 8.558 0.000 . 1 . . . . 92 Q HN . 15563 1 422 . 1 1 92 92 GLN C C 13 172.763 0.034 . 1 . . . . 92 Q CO . 15563 1 423 . 1 1 92 92 GLN CA C 13 53.323 0.000 . 1 . . . . 92 Q CA . 15563 1 424 . 1 1 92 92 GLN CB C 13 26.675 0.000 . 1 . . . . 92 Q CB . 15563 1 425 . 1 1 92 92 GLN N N 15 120.852 0.058 . 1 . . . . 92 Q N . 15563 1 426 . 1 1 93 93 PHE H H 1 8.234 0.000 . 1 . . . . 93 F HN . 15563 1 427 . 1 1 93 93 PHE C C 13 172.641 0.104 . 1 . . . . 93 F CO . 15563 1 428 . 1 1 93 93 PHE CA C 13 55.123 0.000 . 1 . . . . 93 F CA . 15563 1 429 . 1 1 93 93 PHE CB C 13 36.878 0.000 . 1 . . . . 93 F CB . 15563 1 430 . 1 1 93 93 PHE N N 15 120.239 0.024 . 1 . . . . 93 F N . 15563 1 431 . 1 1 94 94 GLU H H 1 8.504 0.000 . 1 . . . . 94 E HN . 15563 1 432 . 1 1 94 94 GLU C C 13 172.235 0.007 . 1 . . . . 94 E CO . 15563 1 433 . 1 1 94 94 GLU CA C 13 53.533 0.000 . 1 . . . . 94 E CA . 15563 1 434 . 1 1 94 94 GLU CB C 13 27.461 0.000 . 1 . . . . 94 E CB . 15563 1 435 . 1 1 94 94 GLU N N 15 120.858 0.068 . 1 . . . . 94 E N . 15563 1 436 . 1 1 95 95 LYS H H 1 7.980 0.000 . 1 . . . . 95 K HN . 15563 1 437 . 1 1 95 95 LYS N N 15 126.963 0.020 . 1 . . . . 95 K N . 15563 1 stop_ save_