################################### # 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 17009 _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' . . . 17009 1 2 '3D HNCA' . . . 17009 1 3 '3D HNCACB' . . . 17009 1 4 '3D CBCA(CO)NH' . . . 17009 1 5 '3D C(CO)NH' . . . 17009 1 6 '3D HNCO' . . . 17009 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 2 2 HIS C C 13 175.007 0.3 . 1 . . . . 60 H C . 17009 1 2 . 1 1 2 2 HIS CA C 13 56.249 0.3 . 1 . . . . 60 H CA . 17009 1 3 . 1 1 2 2 HIS CB C 13 30.507 0.3 . 1 . . . . 60 H CB . 17009 1 4 . 1 1 3 3 MET H H 1 8.345 0.02 . 1 . . . . 61 M H . 17009 1 5 . 1 1 3 3 MET C C 13 175.510 0.3 . 1 . . . . 61 M C . 17009 1 6 . 1 1 3 3 MET CA C 13 55.238 0.3 . 1 . . . . 61 M CA . 17009 1 7 . 1 1 3 3 MET CB C 13 32.784 0.3 . 1 . . . . 61 M CB . 17009 1 8 . 1 1 3 3 MET N N 15 122.738 0.06 . 1 . . . . 61 M N . 17009 1 9 . 1 1 4 4 ALA H H 1 8.305 0.02 . 1 . . . . 62 A H . 17009 1 10 . 1 1 4 4 ALA C C 13 177.616 0.3 . 1 . . . . 62 A C . 17009 1 11 . 1 1 4 4 ALA CA C 13 52.455 0.3 . 1 . . . . 62 A CA . 17009 1 12 . 1 1 4 4 ALA CB C 13 19.059 0.3 . 1 . . . . 62 A CB . 17009 1 13 . 1 1 4 4 ALA N N 15 125.826 0.06 . 1 . . . . 62 A N . 17009 1 14 . 1 1 5 5 SER H H 1 8.186 0.02 . 1 . . . . 63 S H . 17009 1 15 . 1 1 5 5 SER CA C 13 58.147 0.3 . 1 . . . . 63 S CA . 17009 1 16 . 1 1 5 5 SER CB C 13 63.713 0.3 . 1 . . . . 63 S CB . 17009 1 17 . 1 1 5 5 SER N N 15 115.388 0.06 . 1 . . . . 63 S N . 17009 1 18 . 1 1 6 6 VAL H H 1 8.044 0.02 . 1 . . . . 64 V H . 17009 1 19 . 1 1 6 6 VAL C C 13 175.839 0.3 . 1 . . . . 64 V C . 17009 1 20 . 1 1 6 6 VAL CA C 13 62.316 0.3 . 1 . . . . 64 V CA . 17009 1 21 . 1 1 6 6 VAL CB C 13 32.505 0.3 . 1 . . . . 64 V CB . 17009 1 22 . 1 1 6 6 VAL CG1 C 13 20.628 0.3 . 2 . . . . 64 V CG1 . 17009 1 23 . 1 1 6 6 VAL CG2 C 13 20.309 0.3 . 2 . . . . 64 V CG2 . 17009 1 24 . 1 1 6 6 VAL N N 15 121.473 0.06 . 1 . . . . 64 V N . 17009 1 25 . 1 1 7 7 ASN H H 1 8.318 0.02 . 1 . . . . 65 N H . 17009 1 26 . 1 1 7 7 ASN C C 13 174.781 0.3 . 1 . . . . 65 N C . 17009 1 27 . 1 1 7 7 ASN CA C 13 53.087 0.3 . 1 . . . . 65 N CA . 17009 1 28 . 1 1 7 7 ASN CB C 13 38.793 0.3 . 1 . . . . 65 N CB . 17009 1 29 . 1 1 7 7 ASN N N 15 122.009 0.06 . 1 . . . . 65 N N . 17009 1 30 . 1 1 8 8 ALA H H 1 8.127 0.02 . 1 . . . . 66 A H . 17009 1 31 . 1 1 8 8 ALA C C 13 177.437 0.3 . 1 . . . . 66 A C . 17009 1 32 . 1 1 8 8 ALA CA C 13 52.644 0.3 . 1 . . . . 66 A CA . 17009 1 33 . 1 1 8 8 ALA CB C 13 19.122 0.3 . 1 . . . . 66 A CB . 17009 1 34 . 1 1 8 8 ALA N N 15 124.421 0.06 . 1 . . . . 66 A N . 17009 1 35 . 1 1 9 9 GLU H H 1 8.209 0.02 . 1 . . . . 67 E H . 17009 1 36 . 1 1 9 9 GLU C C 13 176.075 0.3 . 1 . . . . 67 E C . 17009 1 37 . 1 1 9 9 GLU CA C 13 56.577 0.3 . 1 . . . . 67 E CA . 17009 1 38 . 1 1 9 9 GLU CB C 13 30.074 0.3 . 1 . . . . 67 E CB . 17009 1 39 . 1 1 9 9 GLU CG C 13 36.131 0.3 . 1 . . . . 67 E CG . 17009 1 40 . 1 1 9 9 GLU N N 15 119.667 0.06 . 1 . . . . 67 E N . 17009 1 41 . 1 1 10 10 THR H H 1 7.785 0.02 . 1 . . . . 68 T H . 17009 1 42 . 1 1 10 10 THR C C 13 173.747 0.3 . 1 . . . . 68 T C . 17009 1 43 . 1 1 10 10 THR CA C 13 60.867 0.3 . 1 . . . . 68 T CA . 17009 1 44 . 1 1 10 10 THR CB C 13 70.670 0.3 . 1 . . . . 68 T CB . 17009 1 45 . 1 1 10 10 THR CG2 C 13 21.226 0.3 . 1 . . . . 68 T CG2 . 17009 1 46 . 1 1 10 10 THR N N 15 114.692 0.06 . 1 . . . . 68 T N . 17009 1 47 . 1 1 11 11 VAL H H 1 8.343 0.02 . 1 . . . . 69 V H . 17009 1 48 . 1 1 11 11 VAL C C 13 173.846 0.3 . 1 . . . . 69 V C . 17009 1 49 . 1 1 11 11 VAL CA C 13 59.766 0.3 . 1 . . . . 69 V CA . 17009 1 50 . 1 1 11 11 VAL CB C 13 33.979 0.3 . 1 . . . . 69 V CB . 17009 1 51 . 1 1 11 11 VAL CG1 C 13 21.026 0.3 . 2 . . . . 69 V CG1 . 17009 1 52 . 1 1 11 11 VAL CG2 C 13 20.787 0.3 . 2 . . . . 69 V CG2 . 17009 1 53 . 1 1 11 11 VAL N N 15 119.432 0.06 . 1 . . . . 69 V N . 17009 1 54 . 1 1 12 12 ALA H H 1 8.410 0.02 . 1 . . . . 70 A H . 17009 1 55 . 1 1 12 12 ALA CA C 13 50.178 0.3 . 1 . . . . 70 A CA . 17009 1 56 . 1 1 12 12 ALA CB C 13 18.110 0.3 . 1 . . . . 70 A CB . 17009 1 57 . 1 1 12 12 ALA N N 15 129.100 0.06 . 1 . . . . 70 A N . 17009 1 58 . 1 1 13 13 PRO C C 13 177.924 0.3 . 1 . . . . 71 P C . 17009 1 59 . 1 1 13 13 PRO CA C 13 66.116 0.3 . 1 . . . . 71 P CA . 17009 1 60 . 1 1 13 13 PRO CB C 13 31.962 0.3 . 1 . . . . 71 P CB . 17009 1 61 . 1 1 13 13 PRO CD C 13 50.440 0.3 . 1 . . . . 71 P CD . 17009 1 62 . 1 1 13 13 PRO CG C 13 28.041 0.3 . 1 . . . . 71 P CG . 17009 1 63 . 1 1 14 14 GLU H H 1 8.839 0.02 . 1 . . . . 72 E H . 17009 1 64 . 1 1 14 14 GLU C C 13 178.810 0.3 . 1 . . . . 72 E C . 17009 1 65 . 1 1 14 14 GLU CA C 13 59.665 0.3 . 1 . . . . 72 E CA . 17009 1 66 . 1 1 14 14 GLU CB C 13 28.609 0.3 . 1 . . . . 72 E CB . 17009 1 67 . 1 1 14 14 GLU CG C 13 36.331 0.3 . 1 . . . . 72 E CG . 17009 1 68 . 1 1 14 14 GLU N N 15 113.402 0.06 . 1 . . . . 72 E N . 17009 1 69 . 1 1 15 15 PHE H H 1 7.617 0.02 . 1 . . . . 73 F H . 17009 1 70 . 1 1 15 15 PHE C C 13 175.674 0.3 . 1 . . . . 73 F C . 17009 1 71 . 1 1 15 15 PHE CA C 13 60.882 0.3 . 1 . . . . 73 F CA . 17009 1 72 . 1 1 15 15 PHE CB C 13 39.160 0.3 . 1 . . . . 73 F CB . 17009 1 73 . 1 1 15 15 PHE N N 15 121.066 0.06 . 1 . . . . 73 F N . 17009 1 74 . 1 1 16 16 ILE H H 1 7.071 0.02 . 1 . . . . 74 I H . 17009 1 75 . 1 1 16 16 ILE C C 13 177.000 0.3 . 1 . . . . 74 I C . 17009 1 76 . 1 1 16 16 ILE CA C 13 65.421 0.3 . 1 . . . . 74 I CA . 17009 1 77 . 1 1 16 16 ILE CB C 13 37.401 0.3 . 1 . . . . 74 I CB . 17009 1 78 . 1 1 16 16 ILE CD1 C 13 13.454 0.3 . 1 . . . . 74 I CD1 . 17009 1 79 . 1 1 16 16 ILE CG1 C 13 28.280 0.3 . 1 . . . . 74 I CG1 . 17009 1 80 . 1 1 16 16 ILE CG2 C 13 18.794 0.3 . 1 . . . . 74 I CG2 . 17009 1 81 . 1 1 16 16 ILE N N 15 118.125 0.06 . 1 . . . . 74 I N . 17009 1 82 . 1 1 17 17 VAL H H 1 7.590 0.02 . 1 . . . . 75 V H . 17009 1 83 . 1 1 17 17 VAL C C 13 177.226 0.3 . 1 . . . . 75 V C . 17009 1 84 . 1 1 17 17 VAL CA C 13 66.369 0.3 . 1 . . . . 75 V CA . 17009 1 85 . 1 1 17 17 VAL CB C 13 31.962 0.3 . 1 . . . . 75 V CB . 17009 1 86 . 1 1 17 17 VAL CG1 C 13 22.063 0.3 . 2 . . . . 75 V CG1 . 17009 1 87 . 1 1 17 17 VAL CG2 C 13 21.186 0.3 . 2 . . . . 75 V CG2 . 17009 1 88 . 1 1 17 17 VAL N N 15 116.240 0.06 . 1 . . . . 75 V N . 17009 1 89 . 1 1 18 18 LYS H H 1 7.427 0.02 . 1 . . . . 76 K H . 17009 1 90 . 1 1 18 18 LYS C C 13 180.195 0.3 . 1 . . . . 76 K C . 17009 1 91 . 1 1 18 18 LYS CA C 13 59.855 0.3 . 1 . . . . 76 K CA . 17009 1 92 . 1 1 18 18 LYS CB C 13 31.582 0.3 . 1 . . . . 76 K CB . 17009 1 93 . 1 1 18 18 LYS CD C 13 29.516 0.3 . 1 . . . . 76 K CD . 17009 1 94 . 1 1 18 18 LYS CE C 13 41.950 0.3 . 1 . . . . 76 K CE . 17009 1 95 . 1 1 18 18 LYS CG C 13 25.012 0.3 . 1 . . . . 76 K CG . 17009 1 96 . 1 1 18 18 LYS N N 15 118.015 0.06 . 1 . . . . 76 K N . 17009 1 97 . 1 1 19 19 VAL H H 1 7.861 0.02 . 1 . . . . 77 V H . 17009 1 98 . 1 1 19 19 VAL C C 13 177.030 0.3 . 1 . . . . 77 V C . 17009 1 99 . 1 1 19 19 VAL CA C 13 66.820 0.3 . 1 . . . . 77 V CA . 17009 1 100 . 1 1 19 19 VAL CB C 13 31.508 0.3 . 1 . . . . 77 V CB . 17009 1 101 . 1 1 19 19 VAL CG1 C 13 22.939 0.3 . 2 . . . . 77 V CG1 . 17009 1 102 . 1 1 19 19 VAL CG2 C 13 22.421 0.3 . 2 . . . . 77 V CG2 . 17009 1 103 . 1 1 19 19 VAL N N 15 119.671 0.06 . 1 . . . . 77 V N . 17009 1 104 . 1 1 20 20 ARG H H 1 8.368 0.02 . 1 . . . . 78 R H . 17009 1 105 . 1 1 20 20 ARG C C 13 178.952 0.3 . 1 . . . . 78 R C . 17009 1 106 . 1 1 20 20 ARG CA C 13 62.064 0.3 . 1 . . . . 78 R CA . 17009 1 107 . 1 1 20 20 ARG CB C 13 29.179 0.3 . 1 . . . . 78 R CB . 17009 1 108 . 1 1 20 20 ARG CD C 13 41.592 0.3 . 1 . . . . 78 R CD . 17009 1 109 . 1 1 20 20 ARG CG C 13 28.798 0.3 . 1 . . . . 78 R CG . 17009 1 110 . 1 1 20 20 ARG N N 15 120.025 0.06 . 1 . . . . 78 R N . 17009 1 111 . 1 1 21 21 LYS H H 1 8.375 0.02 . 1 . . . . 79 K H . 17009 1 112 . 1 1 21 21 LYS C C 13 181.129 0.3 . 1 . . . . 79 K C . 17009 1 113 . 1 1 21 21 LYS CA C 13 59.791 0.3 . 1 . . . . 79 K CA . 17009 1 114 . 1 1 21 21 LYS CB C 13 31.962 0.3 . 1 . . . . 79 K CB . 17009 1 115 . 1 1 21 21 LYS CD C 13 29.356 0.3 . 1 . . . . 79 K CD . 17009 1 116 . 1 1 21 21 LYS CE C 13 41.871 0.3 . 1 . . . . 79 K CE . 17009 1 117 . 1 1 21 21 LYS CG C 13 25.929 0.3 . 1 . . . . 79 K CG . 17009 1 118 . 1 1 21 21 LYS N N 15 115.379 0.06 . 1 . . . . 79 K N . 17009 1 119 . 1 1 22 22 LYS H H 1 7.947 0.02 . 1 . . . . 80 K H . 17009 1 120 . 1 1 22 22 LYS C C 13 178.078 0.3 . 1 . . . . 80 K C . 17009 1 121 . 1 1 22 22 LYS CA C 13 59.349 0.3 . 1 . . . . 80 K CA . 17009 1 122 . 1 1 22 22 LYS CB C 13 31.582 0.3 . 1 . . . . 80 K CB . 17009 1 123 . 1 1 22 22 LYS CD C 13 30.233 0.3 . 1 . . . . 80 K CD . 17009 1 124 . 1 1 22 22 LYS CE C 13 41.791 0.3 . 1 . . . . 80 K CE . 17009 1 125 . 1 1 22 22 LYS CG C 13 24.773 0.3 . 1 . . . . 80 K CG . 17009 1 126 . 1 1 22 22 LYS N N 15 123.352 0.06 . 1 . . . . 80 K N . 17009 1 127 . 1 1 23 23 LEU H H 1 7.533 0.02 . 1 . . . . 81 L H . 17009 1 128 . 1 1 23 23 LEU C C 13 175.120 0.3 . 1 . . . . 81 L C . 17009 1 129 . 1 1 23 23 LEU CA C 13 54.226 0.3 . 1 . . . . 81 L CA . 17009 1 130 . 1 1 23 23 LEU CB C 13 41.702 0.3 . 1 . . . . 81 L CB . 17009 1 131 . 1 1 23 23 LEU CD1 C 13 25.889 0.3 . 2 . . . . 81 L CD1 . 17009 1 132 . 1 1 23 23 LEU CD2 C 13 21.823 0.3 . 2 . . . . 81 L CD2 . 17009 1 133 . 1 1 23 23 LEU CG C 13 26.845 0.3 . 1 . . . . 81 L CG . 17009 1 134 . 1 1 23 23 LEU N N 15 117.389 0.06 . 1 . . . . 81 L N . 17009 1 135 . 1 1 24 24 SER H H 1 7.832 0.02 . 1 . . . . 82 S H . 17009 1 136 . 1 1 24 24 SER C C 13 173.527 0.3 . 1 . . . . 82 S C . 17009 1 137 . 1 1 24 24 SER CA C 13 58.463 0.3 . 1 . . . . 82 S CA . 17009 1 138 . 1 1 24 24 SER CB C 13 61.373 0.3 . 1 . . . . 82 S CB . 17009 1 139 . 1 1 24 24 SER N N 15 112.640 0.06 . 1 . . . . 82 S N . 17009 1 140 . 1 1 25 25 LEU H H 1 7.105 0.02 . 1 . . . . 83 L H . 17009 1 141 . 1 1 25 25 LEU C C 13 178.674 0.3 . 1 . . . . 83 L C . 17009 1 142 . 1 1 25 25 LEU CA C 13 52.295 0.3 . 1 . . . . 83 L CA . 17009 1 143 . 1 1 25 25 LEU CB C 13 45.307 0.3 . 1 . . . . 83 L CB . 17009 1 144 . 1 1 25 25 LEU CD1 C 13 25.331 0.3 . 2 . . . . 83 L CD1 . 17009 1 145 . 1 1 25 25 LEU CD2 C 13 22.939 0.3 . 2 . . . . 83 L CD2 . 17009 1 146 . 1 1 25 25 LEU CG C 13 26.686 0.3 . 1 . . . . 83 L CG . 17009 1 147 . 1 1 25 25 LEU N N 15 116.226 0.06 . 1 . . . . 83 L N . 17009 1 148 . 1 1 26 26 THR H H 1 9.101 0.02 . 1 . . . . 84 T H . 17009 1 149 . 1 1 26 26 THR C C 13 176.044 0.3 . 1 . . . . 84 T C . 17009 1 150 . 1 1 26 26 THR CA C 13 61.056 0.3 . 1 . . . . 84 T CA . 17009 1 151 . 1 1 26 26 THR CB C 13 70.923 0.3 . 1 . . . . 84 T CB . 17009 1 152 . 1 1 26 26 THR CG2 C 13 21.664 0.3 . 1 . . . . 84 T CG2 . 17009 1 153 . 1 1 26 26 THR N N 15 114.720 0.06 . 1 . . . . 84 T N . 17009 1 154 . 1 1 27 27 GLN H H 1 9.189 0.02 . 1 . . . . 85 Q H . 17009 1 155 . 1 1 27 27 GLN C C 13 179.106 0.3 . 1 . . . . 85 Q C . 17009 1 156 . 1 1 27 27 GLN CA C 13 61.014 0.3 . 1 . . . . 85 Q CA . 17009 1 157 . 1 1 27 27 GLN CB C 13 27.598 0.3 . 1 . . . . 85 Q CB . 17009 1 158 . 1 1 27 27 GLN CG C 13 34.179 0.3 . 1 . . . . 85 Q CG . 17009 1 159 . 1 1 27 27 GLN N N 15 120.605 0.06 . 1 . . . . 85 Q N . 17009 1 160 . 1 1 28 28 LYS H H 1 8.511 0.02 . 1 . . . . 86 K H . 17009 1 161 . 1 1 28 28 LYS C C 13 178.829 0.3 . 1 . . . . 86 K C . 17009 1 162 . 1 1 28 28 LYS CA C 13 59.981 0.3 . 1 . . . . 86 K CA . 17009 1 163 . 1 1 28 28 LYS CB C 13 32.847 0.3 . 1 . . . . 86 K CB . 17009 1 164 . 1 1 28 28 LYS CD C 13 29.635 0.3 . 1 . . . . 86 K CD . 17009 1 165 . 1 1 28 28 LYS CE C 13 42.030 0.3 . 1 . . . . 86 K CE . 17009 1 166 . 1 1 28 28 LYS CG C 13 24.852 0.3 . 1 . . . . 86 K CG . 17009 1 167 . 1 1 28 28 LYS N N 15 122.013 0.06 . 1 . . . . 86 K N . 17009 1 168 . 1 1 29 29 GLU H H 1 7.761 0.02 . 1 . . . . 87 E H . 17009 1 169 . 1 1 29 29 GLU C C 13 179.444 0.3 . 1 . . . . 87 E C . 17009 1 170 . 1 1 29 29 GLU CA C 13 58.690 0.3 . 1 . . . . 87 E CA . 17009 1 171 . 1 1 29 29 GLU CB C 13 31.070 0.3 . 1 . . . . 87 E CB . 17009 1 172 . 1 1 29 29 GLU CG C 13 37.048 0.3 . 1 . . . . 87 E CG . 17009 1 173 . 1 1 29 29 GLU N N 15 119.325 0.06 . 1 . . . . 87 E N . 17009 1 174 . 1 1 30 30 ALA H H 1 8.309 0.02 . 1 . . . . 88 A H . 17009 1 175 . 1 1 30 30 ALA C C 13 178.356 0.3 . 1 . . . . 88 A C . 17009 1 176 . 1 1 30 30 ALA CA C 13 55.103 0.3 . 1 . . . . 88 A CA . 17009 1 177 . 1 1 30 30 ALA CB C 13 15.207 0.3 . 1 . . . . 88 A CB . 17009 1 178 . 1 1 30 30 ALA N N 15 119.276 0.06 . 1 . . . . 88 A N . 17009 1 179 . 1 1 31 31 SER H H 1 7.945 0.02 . 1 . . . . 89 S H . 17009 1 180 . 1 1 31 31 SER C C 13 176.531 0.3 . 1 . . . . 89 S C . 17009 1 181 . 1 1 31 31 SER CA C 13 62.827 0.3 . 1 . . . . 89 S CA . 17009 1 182 . 1 1 31 31 SER CB C 13 63.015 0.3 . 1 . . . . 89 S CB . 17009 1 183 . 1 1 31 31 SER N N 15 114.927 0.06 . 1 . . . . 89 S N . 17009 1 184 . 1 1 32 32 GLU H H 1 7.655 0.02 . 1 . . . . 90 E H . 17009 1 185 . 1 1 32 32 GLU C C 13 178.389 0.3 . 1 . . . . 90 E C . 17009 1 186 . 1 1 32 32 GLU CA C 13 59.145 0.3 . 1 . . . . 90 E CA . 17009 1 187 . 1 1 32 32 GLU CB C 13 29.396 0.3 . 1 . . . . 90 E CB . 17009 1 188 . 1 1 32 32 GLU CG C 13 36.291 0.3 . 1 . . . . 90 E CG . 17009 1 189 . 1 1 32 32 GLU N N 15 122.247 0.06 . 1 . . . . 90 E N . 17009 1 190 . 1 1 33 33 ILE H H 1 7.919 0.02 . 1 . . . . 91 I H . 17009 1 191 . 1 1 33 33 ILE C C 13 177.030 0.3 . 1 . . . . 91 I C . 17009 1 192 . 1 1 33 33 ILE CA C 13 64.588 0.3 . 1 . . . . 91 I CA . 17009 1 193 . 1 1 33 33 ILE CB C 13 39.519 0.3 . 1 . . . . 91 I CB . 17009 1 194 . 1 1 33 33 ILE CD1 C 13 15.048 0.3 . 1 . . . . 91 I CD1 . 17009 1 195 . 1 1 33 33 ILE CG1 C 13 28.838 0.3 . 1 . . . . 91 I CG1 . 17009 1 196 . 1 1 33 33 ILE CG2 C 13 15.885 0.3 . 1 . . . . 91 I CG2 . 17009 1 197 . 1 1 33 33 ILE N N 15 118.848 0.06 . 1 . . . . 91 I N . 17009 1 198 . 1 1 34 34 PHE H H 1 8.455 0.02 . 1 . . . . 92 F H . 17009 1 199 . 1 1 34 34 PHE C C 13 177.318 0.3 . 1 . . . . 92 F C . 17009 1 200 . 1 1 34 34 PHE CA C 13 59.538 0.3 . 1 . . . . 92 F CA . 17009 1 201 . 1 1 34 34 PHE CB C 13 39.201 0.3 . 1 . . . . 92 F CB . 17009 1 202 . 1 1 34 34 PHE N N 15 112.724 0.06 . 1 . . . . 92 F N . 17009 1 203 . 1 1 35 35 GLY H H 1 7.496 0.02 . 1 . . . . 93 G H . 17009 1 204 . 1 1 35 35 GLY C C 13 171.956 0.3 . 1 . . . . 93 G C . 17009 1 205 . 1 1 35 35 GLY CA C 13 44.422 0.3 . 1 . . . . 93 G CA . 17009 1 206 . 1 1 35 35 GLY N N 15 107.707 0.06 . 1 . . . . 93 G N . 17009 1 207 . 1 1 36 36 GLY H H 1 8.248 0.02 . 1 . . . . 94 G H . 17009 1 208 . 1 1 36 36 GLY C C 13 175.715 0.3 . 1 . . . . 94 G C . 17009 1 209 . 1 1 36 36 GLY CA C 13 44.512 0.3 . 1 . . . . 94 G CA . 17009 1 210 . 1 1 36 36 GLY N N 15 102.334 0.06 . 1 . . . . 94 G N . 17009 1 211 . 1 1 37 37 GLY H H 1 8.304 0.02 . 1 . . . . 95 G H . 17009 1 212 . 1 1 37 37 GLY C C 13 174.246 0.3 . 1 . . . . 95 G C . 17009 1 213 . 1 1 37 37 GLY CA C 13 43.726 0.3 . 1 . . . . 95 G CA . 17009 1 214 . 1 1 37 37 GLY N N 15 111.519 0.06 . 1 . . . . 95 G N . 17009 1 215 . 1 1 38 38 VAL H H 1 8.108 0.02 . 1 . . . . 96 V H . 17009 1 216 . 1 1 38 38 VAL CA C 13 64.725 0.3 . 1 . . . . 96 V CA . 17009 1 217 . 1 1 38 38 VAL CB C 13 31.582 0.3 . 1 . . . . 96 V CB . 17009 1 218 . 1 1 38 38 VAL N N 15 117.516 0.06 . 1 . . . . 96 V N . 17009 1 219 . 1 1 39 39 ASN C C 13 176.078 0.3 . 1 . . . . 97 N C . 17009 1 220 . 1 1 39 39 ASN CA C 13 53.269 0.3 . 1 . . . . 97 N CA . 17009 1 221 . 1 1 39 39 ASN CB C 13 38.005 0.3 . 1 . . . . 97 N CB . 17009 1 222 . 1 1 40 40 ALA H H 1 7.585 0.02 . 1 . . . . 98 A H . 17009 1 223 . 1 1 40 40 ALA CA C 13 56.099 0.3 . 1 . . . . 98 A CA . 17009 1 224 . 1 1 40 40 ALA CB C 13 18.396 0.3 . 1 . . . . 98 A CB . 17009 1 225 . 1 1 40 40 ALA N N 15 122.193 0.06 . 1 . . . . 98 A N . 17009 1 226 . 1 1 41 41 PHE H H 1 8.091 0.02 . 1 . . . . 99 F H . 17009 1 227 . 1 1 41 41 PHE C C 13 177.924 0.3 . 1 . . . . 99 F C . 17009 1 228 . 1 1 41 41 PHE CA C 13 62.385 0.3 . 1 . . . . 99 F CA . 17009 1 229 . 1 1 41 41 PHE CB C 13 37.022 0.3 . 1 . . . . 99 F CB . 17009 1 230 . 1 1 41 41 PHE N N 15 113.468 0.06 . 1 . . . . 99 F N . 17009 1 231 . 1 1 42 42 SER H H 1 7.649 0.02 . 1 . . . . 100 S H . 17009 1 232 . 1 1 42 42 SER C C 13 177.174 0.3 . 1 . . . . 100 S C . 17009 1 233 . 1 1 42 42 SER CA C 13 61.120 0.3 . 1 . . . . 100 S CA . 17009 1 234 . 1 1 42 42 SER CB C 13 61.942 0.3 . 1 . . . . 100 S CB . 17009 1 235 . 1 1 42 42 SER N N 15 114.100 0.06 . 1 . . . . 100 S N . 17009 1 236 . 1 1 43 43 ARG H H 1 7.160 0.02 . 1 . . . . 101 R H . 17009 1 237 . 1 1 43 43 ARG C C 13 180.279 0.3 . 1 . . . . 101 R C . 17009 1 238 . 1 1 43 43 ARG CA C 13 59.311 0.3 . 1 . . . . 101 R CA . 17009 1 239 . 1 1 43 43 ARG CB C 13 30.317 0.3 . 1 . . . . 101 R CB . 17009 1 240 . 1 1 43 43 ARG CD C 13 43.545 0.3 . 1 . . . . 101 R CD . 17009 1 241 . 1 1 43 43 ARG CG C 13 27.762 0.3 . 1 . . . . 101 R CG . 17009 1 242 . 1 1 43 43 ARG N N 15 118.645 0.06 . 1 . . . . 101 R N . 17009 1 243 . 1 1 44 44 TYR H H 1 8.606 0.02 . 1 . . . . 102 Y H . 17009 1 244 . 1 1 44 44 TYR C C 13 181.037 0.3 . 1 . . . . 102 Y C . 17009 1 245 . 1 1 44 44 TYR CA C 13 56.936 0.3 . 1 . . . . 102 Y CA . 17009 1 246 . 1 1 44 44 TYR CB C 13 37.447 0.3 . 1 . . . . 102 Y CB . 17009 1 247 . 1 1 44 44 TYR N N 15 119.042 0.06 . 1 . . . . 102 Y N . 17009 1 248 . 1 1 45 45 GLU H H 1 8.415 0.02 . 1 . . . . 103 E H . 17009 1 249 . 1 1 45 45 GLU C C 13 176.907 0.3 . 1 . . . . 103 E C . 17009 1 250 . 1 1 45 45 GLU CA C 13 59.349 0.3 . 1 . . . . 103 E CA . 17009 1 251 . 1 1 45 45 GLU CB C 13 28.609 0.3 . 1 . . . . 103 E CB . 17009 1 252 . 1 1 45 45 GLU CG C 13 38.682 0.3 . 1 . . . . 103 E CG . 17009 1 253 . 1 1 45 45 GLU N N 15 117.026 0.06 . 1 . . . . 103 E N . 17009 1 254 . 1 1 46 46 LYS H H 1 7.153 0.02 . 1 . . . . 104 K H . 17009 1 255 . 1 1 46 46 LYS C C 13 176.989 0.3 . 1 . . . . 104 K C . 17009 1 256 . 1 1 46 46 LYS CA C 13 56.123 0.3 . 1 . . . . 104 K CA . 17009 1 257 . 1 1 46 46 LYS CB C 13 33.669 0.3 . 1 . . . . 104 K CB . 17009 1 258 . 1 1 46 46 LYS CD C 13 28.997 0.3 . 1 . . . . 104 K CD . 17009 1 259 . 1 1 46 46 LYS CE C 13 41.990 0.3 . 1 . . . . 104 K CE . 17009 1 260 . 1 1 46 46 LYS CG C 13 25.331 0.3 . 1 . . . . 104 K CG . 17009 1 261 . 1 1 46 46 LYS N N 15 116.805 0.06 . 1 . . . . 104 K N . 17009 1 262 . 1 1 47 47 GLY H H 1 7.566 0.02 . 1 . . . . 105 G H . 17009 1 263 . 1 1 47 47 GLY C C 13 174.329 0.3 . 1 . . . . 105 G C . 17009 1 264 . 1 1 47 47 GLY CA C 13 45.491 0.3 . 1 . . . . 105 G CA . 17009 1 265 . 1 1 47 47 GLY N N 15 105.423 0.06 . 1 . . . . 105 G N . 17009 1 266 . 1 1 48 48 ASN H H 1 7.996 0.02 . 1 . . . . 106 N H . 17009 1 267 . 1 1 48 48 ASN C C 13 173.866 0.3 . 1 . . . . 106 N C . 17009 1 268 . 1 1 48 48 ASN CA C 13 53.720 0.3 . 1 . . . . 106 N CA . 17009 1 269 . 1 1 48 48 ASN CB C 13 39.615 0.3 . 1 . . . . 106 N CB . 17009 1 270 . 1 1 48 48 ASN N N 15 115.784 0.06 . 1 . . . . 106 N N . 17009 1 271 . 1 1 49 49 ALA H H 1 7.233 0.02 . 1 . . . . 107 A H . 17009 1 272 . 1 1 49 49 ALA C C 13 175.459 0.3 . 1 . . . . 107 A C . 17009 1 273 . 1 1 49 49 ALA CA C 13 51.316 0.3 . 1 . . . . 107 A CA . 17009 1 274 . 1 1 49 49 ALA CB C 13 22.221 0.3 . 1 . . . . 107 A CB . 17009 1 275 . 1 1 49 49 ALA N N 15 118.116 0.06 . 1 . . . . 107 A N . 17009 1 276 . 1 1 50 50 GLN H H 1 8.806 0.02 . 1 . . . . 108 Q H . 17009 1 277 . 1 1 50 50 GLN CA C 13 52.012 0.3 . 1 . . . . 108 Q CA . 17009 1 278 . 1 1 50 50 GLN CB C 13 29.811 0.3 . 1 . . . . 108 Q CB . 17009 1 279 . 1 1 50 50 GLN N N 15 120.781 0.06 . 1 . . . . 108 Q N . 17009 1 280 . 1 1 51 51 PRO C C 13 179.784 0.3 . 1 . . . . 109 P C . 17009 1 281 . 1 1 51 51 PRO CA C 13 66.243 0.3 . 1 . . . . 109 P CA . 17009 1 282 . 1 1 51 51 PRO CB C 13 32.088 0.3 . 1 . . . . 109 P CB . 17009 1 283 . 1 1 51 51 PRO CD C 13 50.200 0.3 . 1 . . . . 109 P CD . 17009 1 284 . 1 1 51 51 PRO CG C 13 27.802 0.3 . 1 . . . . 109 P CG . 17009 1 285 . 1 1 52 52 HIS H H 1 11.815 0.02 . 1 . . . . 110 H H . 17009 1 286 . 1 1 52 52 HIS CA C 13 63.523 0.3 . 1 . . . . 110 H CA . 17009 1 287 . 1 1 52 52 HIS CB C 13 31.936 0.3 . 1 . . . . 110 H CB . 17009 1 288 . 1 1 52 52 HIS N N 15 116.325 0.06 . 1 . . . . 110 H N . 17009 1 289 . 1 1 54 54 SER C C 13 176.622 0.3 . 1 . . . . 112 S C . 17009 1 290 . 1 1 54 54 SER CA C 13 63.733 0.3 . 1 . . . . 112 S CA . 17009 1 291 . 1 1 54 54 SER CB C 13 63.273 0.3 . 1 . . . . 112 S CB . 17009 1 292 . 1 1 55 55 THR H H 1 7.885 0.02 . 1 . . . . 113 T H . 17009 1 293 . 1 1 55 55 THR C C 13 175.463 0.3 . 1 . . . . 113 T C . 17009 1 294 . 1 1 55 55 THR CA C 13 67.003 0.3 . 1 . . . . 113 T CA . 17009 1 295 . 1 1 55 55 THR CB C 13 67.617 0.3 . 1 . . . . 113 T CB . 17009 1 296 . 1 1 55 55 THR CG2 C 13 22.381 0.3 . 1 . . . . 113 T CG2 . 17009 1 297 . 1 1 55 55 THR N N 15 120.424 0.06 . 1 . . . . 113 T N . 17009 1 298 . 1 1 56 56 ILE H H 1 7.472 0.02 . 1 . . . . 114 I H . 17009 1 299 . 1 1 56 56 ILE C C 13 177.380 0.3 . 1 . . . . 114 I C . 17009 1 300 . 1 1 56 56 ILE CA C 13 65.835 0.3 . 1 . . . . 114 I CA . 17009 1 301 . 1 1 56 56 ILE CB C 13 37.208 0.3 . 1 . . . . 114 I CB . 17009 1 302 . 1 1 56 56 ILE CD1 C 13 12.896 0.3 . 1 . . . . 114 I CD1 . 17009 1 303 . 1 1 56 56 ILE CG1 C 13 28.679 0.3 . 1 . . . . 114 I CG1 . 17009 1 304 . 1 1 56 56 ILE CG2 C 13 17.121 0.3 . 1 . . . . 114 I CG2 . 17009 1 305 . 1 1 56 56 ILE N N 15 119.618 0.06 . 1 . . . . 114 I N . 17009 1 306 . 1 1 57 57 LYS H H 1 7.957 0.02 . 1 . . . . 115 K H . 17009 1 307 . 1 1 57 57 LYS C C 13 178.000 0.3 . 1 . . . . 115 K C . 17009 1 308 . 1 1 57 57 LYS CA C 13 60.297 0.3 . 1 . . . . 115 K CA . 17009 1 309 . 1 1 57 57 LYS CB C 13 32.847 0.3 . 1 . . . . 115 K CB . 17009 1 310 . 1 1 57 57 LYS CD C 13 28.798 0.3 . 1 . . . . 115 K CD . 17009 1 311 . 1 1 57 57 LYS CE C 13 42.468 0.3 . 1 . . . . 115 K CE . 17009 1 312 . 1 1 57 57 LYS CG C 13 27.045 0.3 . 1 . . . . 115 K CG . 17009 1 313 . 1 1 57 57 LYS N N 15 116.556 0.06 . 1 . . . . 115 K N . 17009 1 314 . 1 1 58 58 LEU H H 1 8.156 0.02 . 1 . . . . 116 L H . 17009 1 315 . 1 1 58 58 LEU C C 13 178.479 0.3 . 1 . . . . 116 L C . 17009 1 316 . 1 1 58 58 LEU CA C 13 57.932 0.3 . 1 . . . . 116 L CA . 17009 1 317 . 1 1 58 58 LEU CB C 13 42.309 0.3 . 1 . . . . 116 L CB . 17009 1 318 . 1 1 58 58 LEU CD1 C 13 23.258 0.3 . 2 . . . . 116 L CD1 . 17009 1 319 . 1 1 58 58 LEU CD2 C 13 26.606 0.3 . 2 . . . . 116 L CD2 . 17009 1 320 . 1 1 58 58 LEU CG C 13 26.845 0.3 . 1 . . . . 116 L CG . 17009 1 321 . 1 1 58 58 LEU N N 15 119.140 0.06 . 1 . . . . 116 L N . 17009 1 322 . 1 1 59 59 LEU H H 1 8.441 0.02 . 1 . . . . 117 L H . 17009 1 323 . 1 1 59 59 LEU C C 13 178.613 0.3 . 1 . . . . 117 L C . 17009 1 324 . 1 1 59 59 LEU CA C 13 58.490 0.3 . 1 . . . . 117 L CA . 17009 1 325 . 1 1 59 59 LEU CB C 13 41.632 0.3 . 1 . . . . 117 L CB . 17009 1 326 . 1 1 59 59 LEU CD1 C 13 26.247 0.3 . 2 . . . . 117 L CD1 . 17009 1 327 . 1 1 59 59 LEU CD2 C 13 21.903 0.3 . 2 . . . . 117 L CD2 . 17009 1 328 . 1 1 59 59 LEU CG C 13 26.487 0.3 . 1 . . . . 117 L CG . 17009 1 329 . 1 1 59 59 LEU N N 15 118.939 0.06 . 1 . . . . 117 L N . 17009 1 330 . 1 1 60 60 ARG H H 1 8.147 0.02 . 1 . . . . 118 R H . 17009 1 331 . 1 1 60 60 ARG C C 13 180.363 0.3 . 1 . . . . 118 R C . 17009 1 332 . 1 1 60 60 ARG CA C 13 60.550 0.3 . 1 . . . . 118 R CA . 17009 1 333 . 1 1 60 60 ARG CB C 13 30.001 0.3 . 1 . . . . 118 R CB . 17009 1 334 . 1 1 60 60 ARG CD C 13 43.943 0.3 . 1 . . . . 118 R CD . 17009 1 335 . 1 1 60 60 ARG CG C 13 28.400 0.3 . 1 . . . . 118 R CG . 17009 1 336 . 1 1 60 60 ARG N N 15 117.478 0.06 . 1 . . . . 118 R N . 17009 1 337 . 1 1 61 61 VAL H H 1 7.986 0.02 . 1 . . . . 119 V H . 17009 1 338 . 1 1 61 61 VAL C C 13 177.893 0.3 . 1 . . . . 119 V C . 17009 1 339 . 1 1 61 61 VAL CA C 13 66.541 0.3 . 1 . . . . 119 V CA . 17009 1 340 . 1 1 61 61 VAL CB C 13 31.987 0.3 . 1 . . . . 119 V CB . 17009 1 341 . 1 1 61 61 VAL CG1 C 13 23.139 0.3 . 2 . . . . 119 V CG1 . 17009 1 342 . 1 1 61 61 VAL CG2 C 13 22.342 0.3 . 2 . . . . 119 V CG2 . 17009 1 343 . 1 1 61 61 VAL N N 15 120.420 0.06 . 1 . . . . 119 V N . 17009 1 344 . 1 1 62 62 LEU H H 1 8.399 0.02 . 1 . . . . 120 L H . 17009 1 345 . 1 1 62 62 LEU C C 13 176.661 0.3 . 1 . . . . 120 L C . 17009 1 346 . 1 1 62 62 LEU CA C 13 56.566 0.3 . 1 . . . . 120 L CA . 17009 1 347 . 1 1 62 62 LEU CB C 13 41.576 0.3 . 1 . . . . 120 L CB . 17009 1 348 . 1 1 62 62 LEU CD1 C 13 23.418 0.3 . 2 . . . . 120 L CD1 . 17009 1 349 . 1 1 62 62 LEU CD2 C 13 15.247 0.3 . 2 . . . . 120 L CD2 . 17009 1 350 . 1 1 62 62 LEU CG C 13 27.363 0.3 . 1 . . . . 120 L CG . 17009 1 351 . 1 1 62 62 LEU N N 15 120.527 0.06 . 1 . . . . 120 L N . 17009 1 352 . 1 1 63 63 ASP H H 1 7.929 0.02 . 1 . . . . 121 D H . 17009 1 353 . 1 1 63 63 ASP C C 13 177.616 0.3 . 1 . . . . 121 D C . 17009 1 354 . 1 1 63 63 ASP CA C 13 56.882 0.3 . 1 . . . . 121 D CA . 17009 1 355 . 1 1 63 63 ASP CB C 13 42.524 0.3 . 1 . . . . 121 D CB . 17009 1 356 . 1 1 63 63 ASP N N 15 114.946 0.06 . 1 . . . . 121 D N . 17009 1 357 . 1 1 64 64 LYS H H 1 6.605 0.02 . 1 . . . . 122 K H . 17009 1 358 . 1 1 64 64 LYS C C 13 176.671 0.3 . 1 . . . . 122 K C . 17009 1 359 . 1 1 64 64 LYS CA C 13 56.685 0.3 . 1 . . . . 122 K CA . 17009 1 360 . 1 1 64 64 LYS CB C 13 33.922 0.3 . 1 . . . . 122 K CB . 17009 1 361 . 1 1 64 64 LYS CD C 13 28.360 0.3 . 1 . . . . 122 K CD . 17009 1 362 . 1 1 64 64 LYS CE C 13 42.070 0.3 . 1 . . . . 122 K CE . 17009 1 363 . 1 1 64 64 LYS CG C 13 25.410 0.3 . 1 . . . . 122 K CG . 17009 1 364 . 1 1 64 64 LYS N N 15 113.081 0.06 . 1 . . . . 122 K N . 17009 1 365 . 1 1 65 65 HIS H H 1 8.083 0.02 . 1 . . . . 123 H H . 17009 1 366 . 1 1 65 65 HIS CA C 13 52.075 0.3 . 1 . . . . 123 H CA . 17009 1 367 . 1 1 65 65 HIS CB C 13 27.850 0.3 . 1 . . . . 123 H CB . 17009 1 368 . 1 1 65 65 HIS N N 15 116.396 0.06 . 1 . . . . 123 H N . 17009 1 369 . 1 1 66 66 PRO C C 13 179.065 0.3 . 1 . . . . 124 P C . 17009 1 370 . 1 1 66 66 PRO CA C 13 65.610 0.3 . 1 . . . . 124 P CA . 17009 1 371 . 1 1 66 66 PRO CB C 13 31.392 0.3 . 1 . . . . 124 P CB . 17009 1 372 . 1 1 66 66 PRO CD C 13 49.682 0.3 . 1 . . . . 124 P CD . 17009 1 373 . 1 1 66 66 PRO CG C 13 27.403 0.3 . 1 . . . . 124 P CG . 17009 1 374 . 1 1 67 67 GLU H H 1 10.056 0.02 . 1 . . . . 125 E H . 17009 1 375 . 1 1 67 67 GLU C C 13 178.143 0.3 . 1 . . . . 125 E C . 17009 1 376 . 1 1 67 67 GLU CA C 13 58.147 0.3 . 1 . . . . 125 E CA . 17009 1 377 . 1 1 67 67 GLU CB C 13 26.902 0.3 . 1 . . . . 125 E CB . 17009 1 378 . 1 1 67 67 GLU CG C 13 34.976 0.3 . 1 . . . . 125 E CG . 17009 1 379 . 1 1 67 67 GLU N N 15 121.524 0.06 . 1 . . . . 125 E N . 17009 1 380 . 1 1 68 68 LEU H H 1 7.887 0.02 . 1 . . . . 126 L H . 17009 1 381 . 1 1 68 68 LEU C C 13 178.078 0.3 . 1 . . . . 126 L C . 17009 1 382 . 1 1 68 68 LEU CA C 13 55.940 0.3 . 1 . . . . 126 L CA . 17009 1 383 . 1 1 68 68 LEU CB C 13 40.795 0.3 . 1 . . . . 126 L CB . 17009 1 384 . 1 1 68 68 LEU CD1 C 13 26.487 0.3 . 2 . . . . 126 L CD1 . 17009 1 385 . 1 1 68 68 LEU CD2 C 13 21.823 0.3 . 2 . . . . 126 L CD2 . 17009 1 386 . 1 1 68 68 LEU CG C 13 28.240 0.3 . 1 . . . . 126 L CG . 17009 1 387 . 1 1 68 68 LEU N N 15 120.922 0.06 . 1 . . . . 126 L N . 17009 1 388 . 1 1 69 69 LEU H H 1 7.573 0.02 . 1 . . . . 127 L H . 17009 1 389 . 1 1 69 69 LEU C C 13 177.729 0.3 . 1 . . . . 127 L C . 17009 1 390 . 1 1 69 69 LEU CA C 13 57.853 0.3 . 1 . . . . 127 L CA . 17009 1 391 . 1 1 69 69 LEU CB C 13 41.552 0.3 . 1 . . . . 127 L CB . 17009 1 392 . 1 1 69 69 LEU CD1 C 13 22.860 0.3 . 2 . . . . 127 L CD1 . 17009 1 393 . 1 1 69 69 LEU CD2 C 13 26.726 0.3 . 2 . . . . 127 L CD2 . 17009 1 394 . 1 1 69 69 LEU CG C 13 26.965 0.3 . 1 . . . . 127 L CG . 17009 1 395 . 1 1 69 69 LEU N N 15 120.671 0.06 . 1 . . . . 127 L N . 17009 1 396 . 1 1 70 70 ASN H H 1 7.543 0.02 . 1 . . . . 128 N H . 17009 1 397 . 1 1 70 70 ASN C C 13 176.733 0.3 . 1 . . . . 128 N C . 17009 1 398 . 1 1 70 70 ASN CA C 13 55.491 0.3 . 1 . . . . 128 N CA . 17009 1 399 . 1 1 70 70 ASN CB C 13 37.970 0.3 . 1 . . . . 128 N CB . 17009 1 400 . 1 1 70 70 ASN N N 15 112.176 0.06 . 1 . . . . 128 N N . 17009 1 401 . 1 1 71 71 GLU H H 1 7.635 0.02 . 1 . . . . 129 E H . 17009 1 402 . 1 1 71 71 GLU C C 13 177.863 0.3 . 1 . . . . 129 E C . 17009 1 403 . 1 1 71 71 GLU CA C 13 57.767 0.3 . 1 . . . . 129 E CA . 17009 1 404 . 1 1 71 71 GLU CB C 13 30.191 0.3 . 1 . . . . 129 E CB . 17009 1 405 . 1 1 71 71 GLU CG C 13 36.490 0.3 . 1 . . . . 129 E CG . 17009 1 406 . 1 1 71 71 GLU N N 15 115.982 0.06 . 1 . . . . 129 E N . 17009 1 407 . 1 1 72 72 ILE H H 1 7.149 0.02 . 1 . . . . 130 I H . 17009 1 408 . 1 1 72 72 ILE C C 13 174.062 0.3 . 1 . . . . 130 I C . 17009 1 409 . 1 1 72 72 ILE CA C 13 60.740 0.3 . 1 . . . . 130 I CA . 17009 1 410 . 1 1 72 72 ILE CB C 13 39.488 0.3 . 1 . . . . 130 I CB . 17009 1 411 . 1 1 72 72 ILE CD1 C 13 15.486 0.3 . 1 . . . . 130 I CD1 . 17009 1 412 . 1 1 72 72 ILE CG1 C 13 26.128 0.3 . 1 . . . . 130 I CG1 . 17009 1 413 . 1 1 72 72 ILE CG2 C 13 18.595 0.3 . 1 . . . . 130 I CG2 . 17009 1 414 . 1 1 72 72 ILE N N 15 108.895 0.06 . 1 . . . . 130 I N . 17009 1 415 . 1 1 73 73 ARG H H 1 7.044 0.02 . 1 . . . . 131 R H . 17009 1 416 . 1 1 73 73 ARG CA C 13 58.400 0.3 . 1 . . . . 131 R CA . 17009 1 417 . 1 1 73 73 ARG CB C 13 31.013 0.3 . 1 . . . . 131 R CB . 17009 1 418 . 1 1 73 73 ARG N N 15 126.079 0.06 . 1 . . . . 131 R N . 17009 1 stop_ save_