################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7161 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _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 $sample_1 isotropic 7161 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 PRO C C 13 176.7 0.3 . 1 . . . . 476 PRO C . 7161 1 2 . 1 1 2 2 PRO CA C 13 63.01 0.3 . 1 . . . . 476 PRO CA . 7161 1 3 . 1 1 2 2 PRO CB C 13 31.75 0.3 . 1 . . . . 476 PRO CB . 7161 1 4 . 1 1 3 3 VAL H H 1 8.002 0.02 . 1 . . . . 477 VAL H . 7161 1 5 . 1 1 3 3 VAL C C 13 175.8 0.3 . 1 . . . . 477 VAL C . 7161 1 6 . 1 1 3 3 VAL CA C 13 62.48 0.3 . 1 . . . . 477 VAL CA . 7161 1 7 . 1 1 3 3 VAL CB C 13 32.92 0.3 . 1 . . . . 477 VAL CB . 7161 1 8 . 1 1 3 3 VAL N N 15 120.2 0.2 . 1 . . . . 477 VAL N . 7161 1 9 . 1 1 4 4 TYR H H 1 8.216 0.02 . 1 . . . . 478 TYR H . 7161 1 10 . 1 1 4 4 TYR C C 13 175.2 0.3 . 1 . . . . 478 TYR C . 7161 1 11 . 1 1 4 4 TYR CA C 13 57.84 0.3 . 1 . . . . 478 TYR CA . 7161 1 12 . 1 1 4 4 TYR CB C 13 39.25 0.3 . 1 . . . . 478 TYR CB . 7161 1 13 . 1 1 4 4 TYR N N 15 124.6 0.2 . 1 . . . . 478 TYR N . 7161 1 14 . 1 1 5 5 GLU H H 1 8.118 0.02 . 1 . . . . 479 GLU H . 7161 1 15 . 1 1 5 5 GLU CA C 13 54.11 0.3 . 1 . . . . 479 GLU CA . 7161 1 16 . 1 1 5 5 GLU CB C 13 30.42 0.3 . 1 . . . . 479 GLU CB . 7161 1 17 . 1 1 5 5 GLU N N 15 125.7 0.2 . 1 . . . . 479 GLU N . 7161 1 18 . 1 1 6 6 PRO C C 13 176.4 0.3 . 1 . . . . 480 PRO C . 7161 1 19 . 1 1 6 6 PRO CA C 13 62.97 0.3 . 1 . . . . 480 PRO CA . 7161 1 20 . 1 1 7 7 VAL H H 1 7.937 0.02 . 1 . . . . 481 VAL H . 7161 1 21 . 1 1 7 7 VAL C C 13 176.3 0.3 . 1 . . . . 481 VAL C . 7161 1 22 . 1 1 7 7 VAL CA C 13 62.65 0.3 . 1 . . . . 481 VAL CA . 7161 1 23 . 1 1 7 7 VAL CB C 13 32.45 0.3 . 1 . . . . 481 VAL CB . 7161 1 24 . 1 1 7 7 VAL N N 15 119.9 0.2 . 1 . . . . 481 VAL N . 7161 1 25 . 1 1 8 8 SER H H 1 8.328 0.02 . 1 . . . . 482 SER H . 7161 1 26 . 1 1 8 8 SER C C 13 175.8 0.3 . 1 . . . . 482 SER C . 7161 1 27 . 1 1 8 8 SER CA C 13 58.58 0.3 . 1 . . . . 482 SER CA . 7161 1 28 . 1 1 8 8 SER CB C 13 64.69 0.3 . 1 . . . . 482 SER CB . 7161 1 29 . 1 1 8 8 SER N N 15 119.6 0.2 . 1 . . . . 482 SER N . 7161 1 30 . 1 1 9 9 TYR H H 1 8.241 0.02 . 1 . . . . 483 TYR H . 7161 1 31 . 1 1 9 9 TYR CA C 13 58.1 0.3 . 1 . . . . 483 TYR CA . 7161 1 32 . 1 1 9 9 TYR CB C 13 39.31 0.3 . 1 . . . . 483 TYR CB . 7161 1 33 . 1 1 9 9 TYR N N 15 124.9 0.2 . 1 . . . . 483 TYR N . 7161 1 34 . 1 1 10 10 HIS C C 13 177.7 0.3 . 1 . . . . 484 HIS C . 7161 1 35 . 1 1 10 10 HIS CA C 13 56.04 0.3 . 1 . . . . 484 HIS CA . 7161 1 36 . 1 1 11 11 VAL H H 1 8.163 0.02 . 1 . . . . 485 VAL H . 7161 1 37 . 1 1 11 11 VAL C C 13 176 0.3 . 1 . . . . 485 VAL C . 7161 1 38 . 1 1 11 11 VAL CA C 13 62.47 0.3 . 1 . . . . 485 VAL CA . 7161 1 39 . 1 1 11 11 VAL CB C 13 32.92 0.3 . 1 . . . . 485 VAL CB . 7161 1 40 . 1 1 11 11 VAL N N 15 121.8 0.2 . 1 . . . . 485 VAL N . 7161 1 41 . 1 1 12 12 GLN H H 1 8.626 0.02 . 1 . . . . 486 GLN H . 7161 1 42 . 1 1 12 12 GLN C C 13 176.1 0.3 . 1 . . . . 486 GLN C . 7161 1 43 . 1 1 12 12 GLN CA C 13 56.27 0.3 . 1 . . . . 486 GLN CA . 7161 1 44 . 1 1 12 12 GLN CB C 13 29.35 0.3 . 1 . . . . 486 GLN CB . 7161 1 45 . 1 1 12 12 GLN N N 15 125 0.2 . 1 . . . . 486 GLN N . 7161 1 46 . 1 1 13 13 GLU H H 1 8.539 0.02 . 1 . . . . 487 GLU H . 7161 1 47 . 1 1 13 13 GLU C C 13 176.5 0.3 . 1 . . . . 487 GLU C . 7161 1 48 . 1 1 13 13 GLU CA C 13 56.82 0.3 . 1 . . . . 487 GLU CA . 7161 1 49 . 1 1 13 13 GLU CB C 13 30.56 0.3 . 1 . . . . 487 GLU CB . 7161 1 50 . 1 1 13 13 GLU N N 15 123.6 0.2 . 1 . . . . 487 GLU N . 7161 1 51 . 1 1 14 14 SER H H 1 8.314 0.02 . 1 . . . . 488 SER H . 7161 1 52 . 1 1 14 14 SER C C 13 174.5 0.3 . 1 . . . . 488 SER C . 7161 1 53 . 1 1 14 14 SER CA C 13 58.66 0.3 . 1 . . . . 488 SER CA . 7161 1 54 . 1 1 14 14 SER CB C 13 64.29 0.3 . 1 . . . . 488 SER CB . 7161 1 55 . 1 1 14 14 SER N N 15 117.3 0.2 . 1 . . . . 488 SER N . 7161 1 56 . 1 1 15 15 LEU H H 1 8.314 0.02 . 1 . . . . 489 LEU H . 7161 1 57 . 1 1 15 15 LEU C C 13 177.5 0.3 . 1 . . . . 489 LEU C . 7161 1 58 . 1 1 15 15 LEU CA C 13 55.5 0.3 . 1 . . . . 489 LEU CA . 7161 1 59 . 1 1 15 15 LEU CB C 13 42.17 0.3 . 1 . . . . 489 LEU CB . 7161 1 60 . 1 1 15 15 LEU N N 15 124.7 0.2 . 1 . . . . 489 LEU N . 7161 1 61 . 1 1 16 16 GLN H H 1 8.354 0.02 . 1 . . . . 490 GLN H . 7161 1 62 . 1 1 16 16 GLN C C 13 175.8 0.3 . 1 . . . . 490 GLN C . 7161 1 63 . 1 1 16 16 GLN CA C 13 56.24 0.3 . 1 . . . . 490 GLN CA . 7161 1 64 . 1 1 16 16 GLN CB C 13 29.44 0.3 . 1 . . . . 490 GLN CB . 7161 1 65 . 1 1 16 16 GLN N N 15 121.1 0.2 . 1 . . . . 490 GLN N . 7161 1 66 . 1 1 17 17 ASP H H 1 8.318 0.02 . 1 . . . . 491 ASP H . 7161 1 67 . 1 1 17 17 ASP C C 13 176.5 0.3 . 1 . . . . 491 ASP C . 7161 1 68 . 1 1 17 17 ASP CA C 13 54.75 0.3 . 1 . . . . 491 ASP CA . 7161 1 69 . 1 1 17 17 ASP CB C 13 41.74 0.3 . 1 . . . . 491 ASP CB . 7161 1 70 . 1 1 17 17 ASP N N 15 121.9 0.2 . 1 . . . . 491 ASP N . 7161 1 71 . 1 1 18 18 GLU H H 1 8.452 0.02 . 1 . . . . 492 GLU H . 7161 1 72 . 1 1 18 18 GLU C C 13 177.3 0.3 . 1 . . . . 492 GLU C . 7161 1 73 . 1 1 18 18 GLU CA C 13 57.46 0.3 . 1 . . . . 492 GLU CA . 7161 1 74 . 1 1 18 18 GLU CB C 13 30.11 0.3 . 1 . . . . 492 GLU CB . 7161 1 75 . 1 1 18 18 GLU N N 15 122.1 0.2 . 1 . . . . 492 GLU N . 7161 1 76 . 1 1 19 19 GLY H H 1 8.477 0.02 . 1 . . . . 493 GLY H . 7161 1 77 . 1 1 19 19 GLY C C 13 174 0.3 . 1 . . . . 493 GLY C . 7161 1 78 . 1 1 19 19 GLY CA C 13 45.66 0.3 . 1 . . . . 493 GLY CA . 7161 1 79 . 1 1 19 19 GLY N N 15 110.3 0.2 . 1 . . . . 493 GLY N . 7161 1 80 . 1 1 20 20 ALA H H 1 7.995 0.02 . 1 . . . . 494 ALA H . 7161 1 81 . 1 1 20 20 ALA C C 13 177.6 0.3 . 1 . . . . 494 ALA C . 7161 1 82 . 1 1 20 20 ALA CA C 13 52.5 0.3 . 1 . . . . 494 ALA CA . 7161 1 83 . 1 1 20 20 ALA CB C 13 19.86 0.3 . 1 . . . . 494 ALA CB . 7161 1 84 . 1 1 20 20 ALA N N 15 123.9 0.2 . 1 . . . . 494 ALA N . 7161 1 85 . 1 1 21 21 GLU H H 1 8.264 0.02 . 1 . . . . 495 GLU H . 7161 1 86 . 1 1 21 21 GLU CA C 13 54.8 0.3 . 1 . . . . 495 GLU CA . 7161 1 87 . 1 1 21 21 GLU CB C 13 30.02 0.3 . 1 . . . . 495 GLU CB . 7161 1 88 . 1 1 21 21 GLU N N 15 121.4 0.2 . 1 . . . . 495 GLU N . 7161 1 89 . 1 1 22 22 PRO C C 13 177.2 0.3 . 1 . . . . 496 PRO C . 7161 1 90 . 1 1 22 22 PRO CA C 13 63.66 0.3 . 1 . . . . 496 PRO CA . 7161 1 91 . 1 1 22 22 PRO CB C 13 32.04 0.3 . 1 . . . . 496 PRO CB . 7161 1 92 . 1 1 23 23 THR H H 1 8.186 0.02 . 1 . . . . 497 THR H . 7161 1 93 . 1 1 23 23 THR C C 13 173.9 0.3 . 1 . . . . 497 THR C . 7161 1 94 . 1 1 23 23 THR CA C 13 62.71 0.3 . 1 . . . . 497 THR CA . 7161 1 95 . 1 1 23 23 THR CB C 13 69.98 0.3 . 1 . . . . 497 THR CB . 7161 1 96 . 1 1 23 23 THR N N 15 111.9 0.2 . 1 . . . . 497 THR N . 7161 1 97 . 1 1 24 24 GLY H H 1 7.399 0.02 . 1 . . . . 498 GLY H . 7161 1 98 . 1 1 24 24 GLY C C 13 173.9 0.3 . 1 . . . . 498 GLY C . 7161 1 99 . 1 1 24 24 GLY CA C 13 45.54 0.3 . 1 . . . . 498 GLY CA . 7161 1 100 . 1 1 24 24 GLY N N 15 108.7 0.2 . 1 . . . . 498 GLY N . 7161 1 101 . 1 1 25 25 TYR H H 1 8.41 0.02 . 1 . . . . 499 TYR H . 7161 1 102 . 1 1 25 25 TYR C C 13 176.1 0.3 . 1 . . . . 499 TYR C . 7161 1 103 . 1 1 25 25 TYR CA C 13 54.08 0.3 . 1 . . . . 499 TYR CA . 7161 1 104 . 1 1 25 25 TYR CB C 13 43.11 0.3 . 1 . . . . 499 TYR CB . 7161 1 105 . 1 1 25 25 TYR N N 15 119.5 0.2 . 1 . . . . 499 TYR N . 7161 1 106 . 1 1 26 26 SER H H 1 8.518 0.02 . 1 . . . . 500 SER H . 7161 1 107 . 1 1 26 26 SER CA C 13 58.07 0.3 . 1 . . . . 500 SER CA . 7161 1 108 . 1 1 26 26 SER CB C 13 64.82 0.3 . 1 . . . . 500 SER CB . 7161 1 109 . 1 1 26 26 SER N N 15 117.2 0.2 . 1 . . . . 500 SER N . 7161 1 110 . 1 1 27 27 ALA CA C 13 52.29 0.3 . 1 . . . . 501 ALA CA . 7161 1 111 . 1 1 27 27 ALA CB C 13 19.66 0.3 . 1 . . . . 501 ALA CB . 7161 1 112 . 1 1 28 28 GLU H H 1 8.319 0.02 . 1 . . . . 502 GLU H . 7161 1 113 . 1 1 28 28 GLU C C 13 176 0.3 . 1 . . . . 502 GLU C . 7161 1 114 . 1 1 28 28 GLU CA C 13 55.95 0.3 . 1 . . . . 502 GLU CA . 7161 1 115 . 1 1 28 28 GLU N N 15 121.9 0.2 . 1 . . . . 502 GLU N . 7161 1 116 . 1 1 29 29 LEU H H 1 8.4 0.02 . 1 . . . . 503 LEU H . 7161 1 117 . 1 1 29 29 LEU CA C 13 54.21 0.3 . 1 . . . . 503 LEU CA . 7161 1 118 . 1 1 29 29 LEU CB C 13 41.83 0.3 . 1 . . . . 503 LEU CB . 7161 1 119 . 1 1 29 29 LEU N N 15 127.4 0.2 . 1 . . . . 503 LEU N . 7161 1 120 . 1 1 30 30 SER C C 13 175.1 0.3 . 1 . . . . 504 SER C . 7161 1 121 . 1 1 30 30 SER CA C 13 58.13 0.3 . 1 . . . . 504 SER CA . 7161 1 122 . 1 1 31 31 SER H H 1 8.815 0.02 . 1 . . . . 505 SER H . 7161 1 123 . 1 1 31 31 SER C C 13 174.2 0.3 . 1 . . . . 505 SER C . 7161 1 124 . 1 1 31 31 SER CA C 13 57.59 0.3 . 1 . . . . 505 SER CA . 7161 1 125 . 1 1 31 31 SER N N 15 121 0.2 . 1 . . . . 505 SER N . 7161 1 126 . 1 1 32 32 GLU H H 1 7.99 0.02 . 1 . . . . 506 GLU H . 7161 1 127 . 1 1 32 32 GLU C C 13 177.8 0.3 . 1 . . . . 506 GLU C . 7161 1 128 . 1 1 32 32 GLU CA C 13 57.72 0.3 . 1 . . . . 506 GLU CA . 7161 1 129 . 1 1 32 32 GLU CB C 13 30.09 0.3 . 1 . . . . 506 GLU CB . 7161 1 130 . 1 1 32 32 GLU N N 15 122.4 0.2 . 1 . . . . 506 GLU N . 7161 1 131 . 1 1 33 33 GLY H H 1 8.694 0.02 . 1 . . . . 507 GLY H . 7161 1 132 . 1 1 33 33 GLY C C 13 174.7 0.3 . 1 . . . . 507 GLY C . 7161 1 133 . 1 1 33 33 GLY CA C 13 46.22 0.3 . 1 . . . . 507 GLY CA . 7161 1 134 . 1 1 33 33 GLY N N 15 110.9 0.2 . 1 . . . . 507 GLY N . 7161 1 135 . 1 1 34 34 ILE H H 1 7.339 0.02 . 1 . . . . 508 ILE H . 7161 1 136 . 1 1 34 34 ILE CA C 13 61.47 0.3 . 1 . . . . 508 ILE CA . 7161 1 137 . 1 1 34 34 ILE CB C 13 40.41 0.3 . 1 . . . . 508 ILE CB . 7161 1 138 . 1 1 34 34 ILE N N 15 114 0.2 . 1 . . . . 508 ILE N . 7161 1 139 . 1 1 35 35 ARG C C 13 176.2 0.3 . 1 . . . . 509 ARG C . 7161 1 140 . 1 1 36 36 ASP H H 1 8.142 0.02 . 1 . . . . 510 ASP H . 7161 1 141 . 1 1 36 36 ASP C C 13 178.2 0.3 . 1 . . . . 510 ASP C . 7161 1 142 . 1 1 36 36 ASP CA C 13 58.38 0.3 . 1 . . . . 510 ASP CA . 7161 1 143 . 1 1 36 36 ASP CB C 13 39.96 0.3 . 1 . . . . 510 ASP CB . 7161 1 144 . 1 1 36 36 ASP N N 15 120.6 0.2 . 1 . . . . 510 ASP N . 7161 1 145 . 1 1 37 37 ASP H H 1 8.033 0.02 . 1 . . . . 511 ASP H . 7161 1 146 . 1 1 37 37 ASP C C 13 175 0.3 . 1 . . . . 511 ASP C . 7161 1 147 . 1 1 37 37 ASP CA C 13 57.75 0.3 . 1 . . . . 511 ASP CA . 7161 1 148 . 1 1 37 37 ASP CB C 13 39.31 0.3 . 1 . . . . 511 ASP CB . 7161 1 149 . 1 1 37 37 ASP N N 15 122.9 0.2 . 1 . . . . 511 ASP N . 7161 1 150 . 1 1 38 38 ARG H H 1 8.089 0.02 . 1 . . . . 512 ARG H . 7161 1 151 . 1 1 38 38 ARG CA C 13 54.08 0.3 . 1 . . . . 512 ARG CA . 7161 1 152 . 1 1 38 38 ARG CB C 13 30.47 0.3 . 1 . . . . 512 ARG CB . 7161 1 153 . 1 1 38 38 ARG N N 15 125.1 0.2 . 1 . . . . 512 ARG N . 7161 1 154 . 1 1 39 39 ASN C C 13 175.1 0.3 . 1 . . . . 513 ASN C . 7161 1 155 . 1 1 39 39 ASN CA C 13 52.07 0.3 . 1 . . . . 513 ASN CA . 7161 1 156 . 1 1 40 40 GLU H H 1 8.335 0.02 . 9 . . . . 514 GLU H . 7161 1 157 . 1 1 40 40 GLU CB C 13 30.31 0.3 . 9 . . . . 514 GLU CB . 7161 1 158 . 1 1 40 40 GLU N N 15 123.9 0.2 . 9 . . . . 514 GLU N . 7161 1 159 . 1 1 41 41 GLU C C 13 177.4 0.3 . 5 . . . . 515 GLU C . 7161 1 160 . 1 1 41 41 GLU CA C 13 59.62 0.3 . 1 . . . . 515 GLU CA . 7161 1 161 . 1 1 42 42 LYS H H 1 8.308 0.02 . 1 . . . . 516 LYS H . 7161 1 162 . 1 1 42 42 LYS C C 13 176.5 0.3 . 1 . . . . 516 LYS C . 7161 1 163 . 1 1 42 42 LYS CA C 13 55.26 0.3 . 1 . . . . 516 LYS CA . 7161 1 164 . 1 1 42 42 LYS N N 15 122.3 0.2 . 1 . . . . 516 LYS N . 7161 1 165 . 1 1 43 43 ARG H H 1 6.772 0.02 . 1 . . . . 517 ARG H . 7161 1 166 . 1 1 43 43 ARG C C 13 173.8 0.3 . 1 . . . . 517 ARG C . 7161 1 167 . 1 1 43 43 ARG CA C 13 57.44 0.3 . 1 . . . . 517 ARG CA . 7161 1 168 . 1 1 43 43 ARG CB C 13 30.51 0.3 . 1 . . . . 517 ARG CB . 7161 1 169 . 1 1 43 43 ARG N N 15 122.1 0.2 . 1 . . . . 517 ARG N . 7161 1 170 . 1 1 44 44 ILE H H 1 7.663 0.02 . 1 . . . . 518 ILE H . 7161 1 171 . 1 1 44 44 ILE C C 13 176.5 0.3 . 1 . . . . 518 ILE C . 7161 1 172 . 1 1 44 44 ILE CA C 13 59.14 0.3 . 1 . . . . 518 ILE CA . 7161 1 173 . 1 1 44 44 ILE CB C 13 40.47 0.3 . 1 . . . . 518 ILE CB . 7161 1 174 . 1 1 44 44 ILE N N 15 116.4 0.2 . 1 . . . . 518 ILE N . 7161 1 175 . 1 1 45 45 THR H H 1 8.578 0.02 . 1 . . . . 519 THR H . 7161 1 176 . 1 1 45 45 THR C C 13 175.7 0.3 . 1 . . . . 519 THR C . 7161 1 177 . 1 1 45 45 THR CA C 13 61.84 0.3 . 1 . . . . 519 THR CA . 7161 1 178 . 1 1 45 45 THR N N 15 114.6 0.2 . 1 . . . . 519 THR N . 7161 1 179 . 1 1 46 46 GLU H H 1 10.46 0.02 . 1 . . . . 520 GLU H . 7161 1 180 . 1 1 46 46 GLU C C 13 178.6 0.3 . 1 . . . . 520 GLU C . 7161 1 181 . 1 1 46 46 GLU CA C 13 58.29 0.3 . 1 . . . . 520 GLU CA . 7161 1 182 . 1 1 46 46 GLU CB C 13 31.67 0.3 . 1 . . . . 520 GLU CB . 7161 1 183 . 1 1 46 46 GLU N N 15 125.9 0.2 . 1 . . . . 520 GLU N . 7161 1 184 . 1 1 47 47 ALA H H 1 8.386 0.02 . 1 . . . . 521 ALA H . 7161 1 185 . 1 1 47 47 ALA C C 13 177.4 0.3 . 1 . . . . 521 ALA C . 7161 1 186 . 1 1 47 47 ALA CA C 13 55.03 0.3 . 1 . . . . 521 ALA CA . 7161 1 187 . 1 1 47 47 ALA CB C 13 17.98 0.3 . 1 . . . . 521 ALA CB . 7161 1 188 . 1 1 47 47 ALA N N 15 118.6 0.2 . 1 . . . . 521 ALA N . 7161 1 189 . 1 1 48 48 GLU H H 1 7.328 0.02 . 1 . . . . 522 GLU H . 7161 1 190 . 1 1 48 48 GLU C C 13 178.1 0.3 . 1 . . . . 522 GLU C . 7161 1 191 . 1 1 48 48 GLU CA C 13 58.41 0.3 . 1 . . . . 522 GLU CA . 7161 1 192 . 1 1 48 48 GLU CB C 13 30.25 0.3 . 1 . . . . 522 GLU CB . 7161 1 193 . 1 1 48 48 GLU N N 15 114.6 0.2 . 1 . . . . 522 GLU N . 7161 1 194 . 1 1 49 49 LYS H H 1 8.066 0.02 . 1 . . . . 523 LYS H . 7161 1 195 . 1 1 49 49 LYS C C 13 176.4 0.3 . 1 . . . . 523 LYS C . 7161 1 196 . 1 1 49 49 LYS CA C 13 58.08 0.3 . 1 . . . . 523 LYS CA . 7161 1 197 . 1 1 49 49 LYS CB C 13 33.51 0.3 . 1 . . . . 523 LYS CB . 7161 1 198 . 1 1 49 49 LYS N N 15 118.4 0.2 . 1 . . . . 523 LYS N . 7161 1 199 . 1 1 50 50 ASN H H 1 8.283 0.02 . 1 . . . . 524 ASN H . 7161 1 200 . 1 1 50 50 ASN C C 13 174.4 0.3 . 1 . . . . 524 ASN C . 7161 1 201 . 1 1 50 50 ASN CA C 13 51.8 0.3 . 1 . . . . 524 ASN CA . 7161 1 202 . 1 1 50 50 ASN CB C 13 39.07 0.3 . 1 . . . . 524 ASN CB . 7161 1 203 . 1 1 50 50 ASN N N 15 119.8 0.2 . 1 . . . . 524 ASN N . 7161 1 204 . 1 1 51 51 GLU H H 1 8.769 0.02 . 1 . . . . 525 GLU H . 7161 1 205 . 1 1 51 51 GLU C C 13 178 0.3 . 1 . . . . 525 GLU C . 7161 1 206 . 1 1 51 51 GLU CA C 13 59.42 0.3 . 1 . . . . 525 GLU CA . 7161 1 207 . 1 1 51 51 GLU CB C 13 29.33 0.3 . 1 . . . . 525 GLU CB . 7161 1 208 . 1 1 51 51 GLU N N 15 124.9 0.2 . 1 . . . . 525 GLU N . 7161 1 209 . 1 1 52 52 ARG H H 1 7.917 0.02 . 1 . . . . 526 ARG H . 7161 1 210 . 1 1 52 52 ARG C C 13 178.8 0.3 . 1 . . . . 526 ARG C . 7161 1 211 . 1 1 52 52 ARG CA C 13 59.78 0.3 . 1 . . . . 526 ARG CA . 7161 1 212 . 1 1 52 52 ARG CB C 13 29.72 0.3 . 1 . . . . 526 ARG CB . 7161 1 213 . 1 1 52 52 ARG N N 15 120.1 0.2 . 1 . . . . 526 ARG N . 7161 1 214 . 1 1 53 53 VAL H H 1 7.096 0.02 . 1 . . . . 527 VAL H . 7161 1 215 . 1 1 53 53 VAL C C 13 177.8 0.3 . 1 . . . . 527 VAL C . 7161 1 216 . 1 1 53 53 VAL CA C 13 66.14 0.3 . 1 . . . . 527 VAL CA . 7161 1 217 . 1 1 53 53 VAL CB C 13 32.27 0.3 . 1 . . . . 527 VAL CB . 7161 1 218 . 1 1 53 53 VAL N N 15 120.9 0.2 . 1 . . . . 527 VAL N . 7161 1 219 . 1 1 54 54 GLN H H 1 8.172 0.02 . 1 . . . . 528 GLN H . 7161 1 220 . 1 1 54 54 GLN CA C 13 61.05 0.3 . 1 . . . . 528 GLN CA . 7161 1 221 . 1 1 54 54 GLN N N 15 120.2 0.2 . 1 . . . . 528 GLN N . 7161 1 222 . 1 1 55 55 ARG H H 1 8.394 0.02 . 9 . . . . 529 ARG H . 7161 1 223 . 1 1 55 55 ARG C C 13 178.9 0.3 . 9 . . . . 529 ARG C . 7161 1 224 . 1 1 55 55 ARG CA C 13 59.97 0.3 . 9 . . . . 529 ARG CA . 7161 1 225 . 1 1 55 55 ARG N N 15 122.6 0.2 . 9 . . . . 529 ARG N . 7161 1 226 . 1 1 56 56 GLN H H 1 8.122 0.02 . 1 . . . . 530 GLN H . 7161 1 227 . 1 1 56 56 GLN C C 13 178.3 0.3 . 1 . . . . 530 GLN C . 7161 1 228 . 1 1 56 56 GLN CA C 13 59.93 0.3 . 1 . . . . 530 GLN CA . 7161 1 229 . 1 1 56 56 GLN CB C 13 29.69 0.3 . 1 . . . . 530 GLN CB . 7161 1 230 . 1 1 56 56 GLN N N 15 118.1 0.2 . 1 . . . . 530 GLN N . 7161 1 231 . 1 1 57 57 LEU H H 1 8.483 0.02 . 1 . . . . 531 LEU H . 7161 1 232 . 1 1 57 57 LEU C C 13 180.1 0.3 . 1 . . . . 531 LEU C . 7161 1 233 . 1 1 57 57 LEU CA C 13 58.6 0.3 . 1 . . . . 531 LEU CA . 7161 1 234 . 1 1 57 57 LEU CB C 13 41.61 0.3 . 1 . . . . 531 LEU CB . 7161 1 235 . 1 1 57 57 LEU N N 15 118.9 0.2 . 1 . . . . 531 LEU N . 7161 1 236 . 1 1 58 58 LEU H H 1 8.121 0.02 . 1 . . . . 532 LEU H . 7161 1 237 . 1 1 58 58 LEU C C 13 180.9 0.3 . 1 . . . . 532 LEU C . 7161 1 238 . 1 1 58 58 LEU CA C 13 58.53 0.3 . 1 . . . . 532 LEU CA . 7161 1 239 . 1 1 58 58 LEU CB C 13 41.59 0.3 . 1 . . . . 532 LEU CB . 7161 1 240 . 1 1 58 58 LEU N N 15 121.3 0.2 . 1 . . . . 532 LEU N . 7161 1 241 . 1 1 59 59 THR H H 1 8.432 0.02 . 1 . . . . 533 THR H . 7161 1 242 . 1 1 59 59 THR C C 13 177.4 0.3 . 1 . . . . 533 THR C . 7161 1 243 . 1 1 59 59 THR CA C 13 67.31 0.3 . 1 . . . . 533 THR CA . 7161 1 244 . 1 1 59 59 THR N N 15 119.5 0.2 . 1 . . . . 533 THR N . 7161 1 245 . 1 1 60 60 LEU H H 1 8.503 0.02 . 1 . . . . 534 LEU H . 7161 1 246 . 1 1 60 60 LEU C C 13 179 0.3 . 1 . . . . 534 LEU C . 7161 1 247 . 1 1 60 60 LEU CA C 13 58.86 0.3 . 1 . . . . 534 LEU CA . 7161 1 248 . 1 1 60 60 LEU CB C 13 43.05 0.3 . 1 . . . . 534 LEU CB . 7161 1 249 . 1 1 60 60 LEU N N 15 123.8 0.2 . 1 . . . . 534 LEU N . 7161 1 250 . 1 1 61 61 SER H H 1 8.471 0.02 . 1 . . . . 535 SER H . 7161 1 251 . 1 1 61 61 SER C C 13 177.9 0.3 . 1 . . . . 535 SER C . 7161 1 252 . 1 1 61 61 SER CA C 13 62.19 0.3 . 1 . . . . 535 SER CA . 7161 1 253 . 1 1 61 61 SER N N 15 114.7 0.2 . 1 . . . . 535 SER N . 7161 1 254 . 1 1 62 62 SER H H 1 7.643 0.02 . 1 . . . . 536 SER H . 7161 1 255 . 1 1 62 62 SER C C 13 180 0.3 . 5 . . . . 536 SER C . 7161 1 256 . 1 1 62 62 SER CA C 13 61.74 0.3 . 1 . . . . 536 SER CA . 7161 1 257 . 1 1 62 62 SER CB C 13 63.46 0.3 . 1 . . . . 536 SER CB . 7161 1 258 . 1 1 62 62 SER N N 15 116.8 0.2 . 1 . . . . 536 SER N . 7161 1 259 . 1 1 63 63 GLU H H 1 8.305 0.02 . 1 . . . . 537 GLU H . 7161 1 260 . 1 1 63 63 GLU C C 13 180.2 0.3 . 1 . . . . 537 GLU C . 7161 1 261 . 1 1 63 63 GLU CA C 13 59.84 0.3 . 1 . . . . 537 GLU CA . 7161 1 262 . 1 1 63 63 GLU CB C 13 29.78 0.3 . 1 . . . . 537 GLU CB . 7161 1 263 . 1 1 63 63 GLU N N 15 122.2 0.2 . 1 . . . . 537 GLU N . 7161 1 264 . 1 1 64 64 LEU H H 1 8.743 0.02 . 1 . . . . 538 LEU H . 7161 1 265 . 1 1 64 64 LEU C C 13 179.8 0.3 . 1 . . . . 538 LEU C . 7161 1 266 . 1 1 64 64 LEU CA C 13 57.35 0.3 . 1 . . . . 538 LEU CA . 7161 1 267 . 1 1 64 64 LEU CB C 13 40.51 0.3 . 1 . . . . 538 LEU CB . 7161 1 268 . 1 1 64 64 LEU N N 15 118.4 0.2 . 1 . . . . 538 LEU N . 7161 1 269 . 1 1 65 65 SER H H 1 7.822 0.02 . 1 . . . . 539 SER H . 7161 1 270 . 1 1 65 65 SER C C 13 176.9 0.3 . 1 . . . . 539 SER C . 7161 1 271 . 1 1 65 65 SER CA C 13 62.59 0.3 . 1 . . . . 539 SER CA . 7161 1 272 . 1 1 65 65 SER CB C 13 63.59 0.3 . 1 . . . . 539 SER CB . 7161 1 273 . 1 1 65 65 SER N N 15 114.2 0.2 . 1 . . . . 539 SER N . 7161 1 274 . 1 1 66 66 GLN H H 1 7.418 0.02 . 1 . . . . 540 GLN H . 7161 1 275 . 1 1 66 66 GLN C C 13 176.2 0.3 . 1 . . . . 540 GLN C . 7161 1 276 . 1 1 66 66 GLN CA C 13 57.67 0.3 . 1 . . . . 540 GLN CA . 7161 1 277 . 1 1 66 66 GLN CB C 13 29.03 0.3 . 1 . . . . 540 GLN CB . 7161 1 278 . 1 1 66 66 GLN N N 15 118 0.2 . 1 . . . . 540 GLN N . 7161 1 279 . 1 1 67 67 ALA H H 1 7.634 0.02 . 1 . . . . 541 ALA H . 7161 1 280 . 1 1 67 67 ALA C C 13 176.1 0.3 . 1 . . . . 541 ALA C . 7161 1 281 . 1 1 67 67 ALA CA C 13 51.17 0.3 . 1 . . . . 541 ALA CA . 7161 1 282 . 1 1 67 67 ALA CB C 13 20.36 0.3 . 1 . . . . 541 ALA CB . 7161 1 283 . 1 1 67 67 ALA N N 15 120.2 0.2 . 1 . . . . 541 ALA N . 7161 1 284 . 1 1 68 68 ARG H H 1 7.369 0.02 . 1 . . . . 542 ARG H . 7161 1 285 . 1 1 68 68 ARG C C 13 175.4 0.3 . 1 . . . . 542 ARG C . 7161 1 286 . 1 1 68 68 ARG CA C 13 56.92 0.3 . 1 . . . . 542 ARG CA . 7161 1 287 . 1 1 68 68 ARG CB C 13 31.49 0.3 . 1 . . . . 542 ARG CB . 7161 1 288 . 1 1 68 68 ARG N N 15 121.9 0.2 . 1 . . . . 542 ARG N . 7161 1 289 . 1 1 69 69 ASP H H 1 8.332 0.02 . 1 . . . . 543 ASP H . 7161 1 290 . 1 1 69 69 ASP C C 13 177.5 0.3 . 1 . . . . 543 ASP C . 7161 1 291 . 1 1 69 69 ASP CA C 13 52.8 0.3 . 1 . . . . 543 ASP CA . 7161 1 292 . 1 1 69 69 ASP CB C 13 40.99 0.3 . 1 . . . . 543 ASP CB . 7161 1 293 . 1 1 69 69 ASP N N 15 124.7 0.2 . 1 . . . . 543 ASP N . 7161 1 294 . 1 1 70 70 GLU H H 1 9.095 0.02 . 1 . . . . 544 GLU H . 7161 1 295 . 1 1 70 70 GLU C C 13 177.9 0.3 . 1 . . . . 544 GLU C . 7161 1 296 . 1 1 70 70 GLU CA C 13 58.84 0.3 . 1 . . . . 544 GLU CA . 7161 1 297 . 1 1 70 70 GLU CB C 13 29.48 0.3 . 1 . . . . 544 GLU CB . 7161 1 298 . 1 1 70 70 GLU N N 15 126 0.2 . 1 . . . . 544 GLU N . 7161 1 299 . 1 1 71 71 ASN H H 1 8.535 0.02 . 1 . . . . 545 ASN H . 7161 1 300 . 1 1 71 71 ASN C C 13 176.2 0.3 . 1 . . . . 545 ASN C . 7161 1 301 . 1 1 71 71 ASN CA C 13 54.84 0.3 . 1 . . . . 545 ASN CA . 7161 1 302 . 1 1 71 71 ASN CB C 13 38.81 0.3 . 1 . . . . 545 ASN CB . 7161 1 303 . 1 1 71 71 ASN N N 15 115.9 0.2 . 1 . . . . 545 ASN N . 7161 1 304 . 1 1 72 72 LYS H H 1 7.615 0.02 . 1 . . . . 546 LYS H . 7161 1 305 . 1 1 72 72 LYS C C 13 176 0.3 . 1 . . . . 546 LYS C . 7161 1 306 . 1 1 72 72 LYS CA C 13 55.34 0.3 . 1 . . . . 546 LYS CA . 7161 1 307 . 1 1 72 72 LYS CB C 13 33.07 0.3 . 1 . . . . 546 LYS CB . 7161 1 308 . 1 1 72 72 LYS N N 15 118.8 0.2 . 1 . . . . 546 LYS N . 7161 1 309 . 1 1 73 73 ARG H H 1 7.349 0.02 . 1 . . . . 547 ARG H . 7161 1 310 . 1 1 73 73 ARG C C 13 176.4 0.3 . 1 . . . . 547 ARG C . 7161 1 311 . 1 1 73 73 ARG CA C 13 57.33 0.3 . 1 . . . . 547 ARG CA . 7161 1 312 . 1 1 73 73 ARG CB C 13 31.42 0.3 . 1 . . . . 547 ARG CB . 7161 1 313 . 1 1 73 73 ARG N N 15 121 0.2 . 1 . . . . 547 ARG N . 7161 1 314 . 1 1 74 74 THR H H 1 9.441 0.02 . 1 . . . . 548 THR H . 7161 1 315 . 1 1 74 74 THR CA C 13 60.57 0.3 . 1 . . . . 548 THR CA . 7161 1 316 . 1 1 74 74 THR CB C 13 72.53 0.3 . 1 . . . . 548 THR CB . 7161 1 317 . 1 1 74 74 THR N N 15 115.5 0.2 . 1 . . . . 548 THR N . 7161 1 318 . 1 1 75 75 HIS H H 1 9.091 0.02 . 1 . . . . 549 HIS H . 7161 1 319 . 1 1 75 75 HIS C C 13 177 0.3 . 1 . . . . 549 HIS C . 7161 1 320 . 1 1 75 75 HIS CA C 13 59.84 0.3 . 1 . . . . 549 HIS CA . 7161 1 321 . 1 1 75 75 HIS N N 15 120.9 0.2 . 1 . . . . 549 HIS N . 7161 1 322 . 1 1 76 76 ASN H H 1 8.367 0.02 . 1 . . . . 550 ASN H . 7161 1 323 . 1 1 76 76 ASN C C 13 176.9 0.3 . 1 . . . . 550 ASN C . 7161 1 324 . 1 1 76 76 ASN CA C 13 55.31 0.3 . 1 . . . . 550 ASN CA . 7161 1 325 . 1 1 76 76 ASN CB C 13 37.86 0.3 . 1 . . . . 550 ASN CB . 7161 1 326 . 1 1 76 76 ASN N N 15 116.1 0.2 . 1 . . . . 550 ASN N . 7161 1 327 . 1 1 77 77 ASP H H 1 7.378 0.02 . 1 . . . . 551 ASP H . 7161 1 328 . 1 1 77 77 ASP C C 13 178.3 0.3 . 1 . . . . 551 ASP C . 7161 1 329 . 1 1 77 77 ASP CA C 13 57.72 0.3 . 1 . . . . 551 ASP CA . 7161 1 330 . 1 1 77 77 ASP CB C 13 41.81 0.3 . 1 . . . . 551 ASP CB . 7161 1 331 . 1 1 77 77 ASP N N 15 119.5 0.2 . 1 . . . . 551 ASP N . 7161 1 332 . 1 1 78 78 ILE H H 1 7.61 0.02 . 1 . . . . 552 ILE H . 7161 1 333 . 1 1 78 78 ILE C C 13 179.2 0.3 . 1 . . . . 552 ILE C . 7161 1 334 . 1 1 78 78 ILE CA C 13 65.27 0.3 . 1 . . . . 552 ILE CA . 7161 1 335 . 1 1 78 78 ILE CB C 13 37.95 0.3 . 1 . . . . 552 ILE CB . 7161 1 336 . 1 1 78 78 ILE N N 15 121.2 0.2 . 1 . . . . 552 ILE N . 7161 1 337 . 1 1 79 79 ILE H H 1 7.8 0.02 . 1 . . . . 553 ILE H . 7161 1 338 . 1 1 79 79 ILE C C 13 178.3 0.3 . 1 . . . . 553 ILE C . 7161 1 339 . 1 1 79 79 ILE CA C 13 64.63 0.3 . 1 . . . . 553 ILE CA . 7161 1 340 . 1 1 79 79 ILE CB C 13 37.95 0.3 . 1 . . . . 553 ILE CB . 7161 1 341 . 1 1 79 79 ILE N N 15 121.6 0.2 . 1 . . . . 553 ILE N . 7161 1 342 . 1 1 80 80 HIS H H 1 8.519 0.02 . 1 . . . . 554 HIS H . 7161 1 343 . 1 1 80 80 HIS C C 13 177.2 0.3 . 1 . . . . 554 HIS C . 7161 1 344 . 1 1 80 80 HIS CA C 13 60.16 0.3 . 1 . . . . 554 HIS CA . 7161 1 345 . 1 1 80 80 HIS CB C 13 29.2 0.3 . 1 . . . . 554 HIS CB . 7161 1 346 . 1 1 80 80 HIS N N 15 118.2 0.2 . 1 . . . . 554 HIS N . 7161 1 347 . 1 1 81 81 ASN H H 1 8.613 0.02 . 1 . . . . 555 ASN H . 7161 1 348 . 1 1 81 81 ASN C C 13 174.2 0.3 . 1 . . . . 555 ASN C . 7161 1 349 . 1 1 81 81 ASN CA C 13 56.65 0.3 . 1 . . . . 555 ASN CA . 7161 1 350 . 1 1 81 81 ASN CB C 13 38.34 0.3 . 1 . . . . 555 ASN CB . 7161 1 351 . 1 1 81 81 ASN N N 15 117.7 0.2 . 1 . . . . 555 ASN N . 7161 1 352 . 1 1 82 82 GLU H H 1 8.03 0.02 . 1 . . . . 556 GLU H . 7161 1 353 . 1 1 82 82 GLU C C 13 178.8 0.3 . 1 . . . . 556 GLU C . 7161 1 354 . 1 1 82 82 GLU CA C 13 59.02 0.3 . 1 . . . . 556 GLU CA . 7161 1 355 . 1 1 82 82 GLU CB C 13 28.63 0.3 . 1 . . . . 556 GLU CB . 7161 1 356 . 1 1 82 82 GLU N N 15 122.7 0.2 . 1 . . . . 556 GLU N . 7161 1 357 . 1 1 83 83 ASN H H 1 8.38 0.02 . 1 . . . . 557 ASN H . 7161 1 358 . 1 1 83 83 ASN C C 13 178.7 0.3 . 1 . . . . 557 ASN C . 7161 1 359 . 1 1 83 83 ASN CA C 13 56.48 0.3 . 1 . . . . 557 ASN CA . 7161 1 360 . 1 1 83 83 ASN CB C 13 37.17 0.3 . 1 . . . . 557 ASN CB . 7161 1 361 . 1 1 83 83 ASN N N 15 120 0.2 . 1 . . . . 557 ASN N . 7161 1 362 . 1 1 84 84 MET H H 1 8.247 0.02 . 1 . . . . 558 MET H . 7161 1 363 . 1 1 84 84 MET C C 13 180.9 0.3 . 1 . . . . 558 MET C . 7161 1 364 . 1 1 84 84 MET CA C 13 57.85 0.3 . 1 . . . . 558 MET CA . 7161 1 365 . 1 1 84 84 MET CB C 13 33.3 0.3 . 1 . . . . 558 MET CB . 7161 1 366 . 1 1 84 84 MET N N 15 119.6 0.2 . 1 . . . . 558 MET N . 7161 1 367 . 1 1 85 85 ARG H H 1 8.149 0.02 . 1 . . . . 559 ARG H . 7161 1 368 . 1 1 85 85 ARG C C 13 178.4 0.3 . 1 . . . . 559 ARG C . 7161 1 369 . 1 1 85 85 ARG CA C 13 59.6 0.3 . 1 . . . . 559 ARG CA . 7161 1 370 . 1 1 85 85 ARG CB C 13 29.93 0.3 . 1 . . . . 559 ARG CB . 7161 1 371 . 1 1 85 85 ARG N N 15 123.4 0.2 . 1 . . . . 559 ARG N . 7161 1 372 . 1 1 86 86 GLN H H 1 7.477 0.02 . 1 . . . . 560 GLN H . 7161 1 373 . 1 1 86 86 GLN C C 13 176.2 0.3 . 1 . . . . 560 GLN C . 7161 1 374 . 1 1 86 86 GLN CA C 13 55.81 0.3 . 1 . . . . 560 GLN CA . 7161 1 375 . 1 1 86 86 GLN CB C 13 29.82 0.3 . 1 . . . . 560 GLN CB . 7161 1 376 . 1 1 86 86 GLN N N 15 115.1 0.2 . 1 . . . . 560 GLN N . 7161 1 377 . 1 1 87 87 GLY H H 1 7.888 0.02 . 1 . . . . 561 GLY H . 7161 1 378 . 1 1 87 87 GLY C C 13 175.1 0.3 . 1 . . . . 561 GLY C . 7161 1 379 . 1 1 87 87 GLY CA C 13 46.62 0.3 . 1 . . . . 561 GLY CA . 7161 1 380 . 1 1 87 87 GLY N N 15 109.4 0.2 . 1 . . . . 561 GLY N . 7161 1 381 . 1 1 88 88 ARG H H 1 8.046 0.02 . 1 . . . . 562 ARG H . 7161 1 382 . 1 1 88 88 ARG C C 13 175.6 0.3 . 1 . . . . 562 ARG C . 7161 1 383 . 1 1 88 88 ARG CA C 13 56.45 0.3 . 1 . . . . 562 ARG CA . 7161 1 384 . 1 1 88 88 ARG CB C 13 30.44 0.3 . 1 . . . . 562 ARG CB . 7161 1 385 . 1 1 88 88 ARG N N 15 119.6 0.2 . 1 . . . . 562 ARG N . 7161 1 386 . 1 1 89 89 ASP H H 1 7.029 0.02 . 1 . . . . 563 ASP H . 7161 1 387 . 1 1 89 89 ASP C C 13 176.2 0.3 . 1 . . . . 563 ASP C . 7161 1 388 . 1 1 89 89 ASP CA C 13 53.85 0.3 . 1 . . . . 563 ASP CA . 7161 1 389 . 1 1 89 89 ASP CB C 13 42.78 0.3 . 1 . . . . 563 ASP CB . 7161 1 390 . 1 1 89 89 ASP N N 15 118.2 0.2 . 1 . . . . 563 ASP N . 7161 1 391 . 1 1 90 90 LYS H H 1 8.835 0.02 . 1 . . . . 564 LYS H . 7161 1 392 . 1 1 90 90 LYS C C 13 177.9 0.3 . 1 . . . . 564 LYS C . 7161 1 393 . 1 1 90 90 LYS CA C 13 60.54 0.3 . 1 . . . . 564 LYS CA . 7161 1 394 . 1 1 90 90 LYS CB C 13 34.23 0.3 . 1 . . . . 564 LYS CB . 7161 1 395 . 1 1 90 90 LYS N N 15 119.4 0.2 . 1 . . . . 564 LYS N . 7161 1 396 . 1 1 91 91 TYR H H 1 8.659 0.02 . 1 . . . . 565 TYR H . 7161 1 397 . 1 1 91 91 TYR CA C 13 60.25 0.3 . 1 . . . . 565 TYR CA . 7161 1 398 . 1 1 91 91 TYR N N 15 121.8 0.2 . 1 . . . . 565 TYR N . 7161 1 399 . 1 1 92 92 LYS H H 1 7.443 0.02 . 1 . . . . 566 LYS H . 7161 1 400 . 1 1 92 92 LYS C C 13 181.1 0.3 . 1 . . . . 566 LYS C . 7161 1 401 . 1 1 92 92 LYS CA C 13 60.21 0.3 . 1 . . . . 566 LYS CA . 7161 1 402 . 1 1 92 92 LYS N N 15 119.3 0.2 . 1 . . . . 566 LYS N . 7161 1 403 . 1 1 93 93 THR H H 1 8.329 0.02 . 1 . . . . 567 THR H . 7161 1 404 . 1 1 93 93 THR C C 13 175.2 0.3 . 1 . . . . 567 THR C . 7161 1 405 . 1 1 93 93 THR CA C 13 67.21 0.3 . 1 . . . . 567 THR CA . 7161 1 406 . 1 1 93 93 THR N N 15 116.9 0.2 . 1 . . . . 567 THR N . 7161 1 407 . 1 1 94 94 LEU H H 1 7.354 0.02 . 1 . . . . 568 LEU H . 7161 1 408 . 1 1 94 94 LEU C C 13 177.7 0.3 . 1 . . . . 568 LEU C . 7161 1 409 . 1 1 94 94 LEU CA C 13 58.1 0.3 . 1 . . . . 568 LEU CA . 7161 1 410 . 1 1 94 94 LEU CB C 13 42.41 0.3 . 1 . . . . 568 LEU CB . 7161 1 411 . 1 1 94 94 LEU N N 15 122.2 0.2 . 1 . . . . 568 LEU N . 7161 1 412 . 1 1 95 95 ARG H H 1 7.667 0.02 . 1 . . . . 569 ARG H . 7161 1 413 . 1 1 95 95 ARG C C 13 179.3 0.3 . 1 . . . . 569 ARG C . 7161 1 414 . 1 1 95 95 ARG CA C 13 59.79 0.3 . 1 . . . . 569 ARG CA . 7161 1 415 . 1 1 95 95 ARG CB C 13 30.44 0.3 . 1 . . . . 569 ARG CB . 7161 1 416 . 1 1 95 95 ARG N N 15 115.1 0.2 . 1 . . . . 569 ARG N . 7161 1 417 . 1 1 96 96 GLN H H 1 7.641 0.02 . 1 . . . . 570 GLN H . 7161 1 418 . 1 1 96 96 GLN C C 13 179.8 0.3 . 1 . . . . 570 GLN C . 7161 1 419 . 1 1 96 96 GLN CA C 13 59.25 0.3 . 1 . . . . 570 GLN CA . 7161 1 420 . 1 1 96 96 GLN CB C 13 28.77 0.3 . 1 . . . . 570 GLN CB . 7161 1 421 . 1 1 96 96 GLN N N 15 118.5 0.2 . 1 . . . . 570 GLN N . 7161 1 422 . 1 1 97 97 ILE H H 1 8.329 0.02 . 1 . . . . 571 ILE H . 7161 1 423 . 1 1 97 97 ILE C C 13 176.9 0.3 . 1 . . . . 571 ILE C . 7161 1 424 . 1 1 97 97 ILE CA C 13 63.96 0.3 . 1 . . . . 571 ILE CA . 7161 1 425 . 1 1 97 97 ILE CB C 13 36.84 0.3 . 1 . . . . 571 ILE CB . 7161 1 426 . 1 1 97 97 ILE N N 15 112.3 0.2 . 1 . . . . 571 ILE N . 7161 1 427 . 1 1 98 98 ARG H H 1 6.829 0.02 . 1 . . . . 572 ARG H . 7161 1 428 . 1 1 98 98 ARG C C 13 175.2 0.3 . 1 . . . . 572 ARG C . 7161 1 429 . 1 1 98 98 ARG CA C 13 55.76 0.3 . 1 . . . . 572 ARG CA . 7161 1 430 . 1 1 98 98 ARG CB C 13 31.74 0.3 . 1 . . . . 572 ARG CB . 7161 1 431 . 1 1 98 98 ARG N N 15 120 0.2 . 1 . . . . 572 ARG N . 7161 1 432 . 1 1 99 99 GLN H H 1 6.968 0.02 . 1 . . . . 573 GLN H . 7161 1 433 . 1 1 99 99 GLN C C 13 177.6 0.3 . 1 . . . . 573 GLN C . 7161 1 434 . 1 1 99 99 GLN CA C 13 57.17 0.3 . 1 . . . . 573 GLN CA . 7161 1 435 . 1 1 99 99 GLN CB C 13 30.12 0.3 . 1 . . . . 573 GLN CB . 7161 1 436 . 1 1 99 99 GLN N N 15 117.7 0.2 . 1 . . . . 573 GLN N . 7161 1 437 . 1 1 100 100 GLY H H 1 8.187 0.02 . 1 . . . . 574 GLY H . 7161 1 438 . 1 1 100 100 GLY C C 13 174.5 0.3 . 1 . . . . 574 GLY C . 7161 1 439 . 1 1 100 100 GLY CA C 13 44.33 0.3 . 1 . . . . 574 GLY CA . 7161 1 440 . 1 1 100 100 GLY N N 15 108 0.2 . 1 . . . . 574 GLY N . 7161 1 441 . 1 1 101 101 ASN H H 1 8.543 0.02 . 1 . . . . 575 ASN H . 7161 1 442 . 1 1 101 101 ASN C C 13 175.3 0.3 . 1 . . . . 575 ASN C . 7161 1 443 . 1 1 101 101 ASN CA C 13 52.89 0.3 . 1 . . . . 575 ASN CA . 7161 1 444 . 1 1 101 101 ASN CB C 13 39.07 0.3 . 1 . . . . 575 ASN CB . 7161 1 445 . 1 1 101 101 ASN N N 15 118.6 0.2 . 1 . . . . 575 ASN N . 7161 1 446 . 1 1 102 102 THR H H 1 8.557 0.02 . 1 . . . . 576 THR H . 7161 1 447 . 1 1 102 102 THR C C 13 176.2 0.3 . 1 . . . . 576 THR C . 7161 1 448 . 1 1 102 102 THR CA C 13 68.57 0.3 . 1 . . . . 576 THR CA . 7161 1 449 . 1 1 102 102 THR N N 15 116 0.2 . 1 . . . . 576 THR N . 7161 1 450 . 1 1 103 103 LYS H H 1 8.69 0.02 . 1 . . . . 577 LYS H . 7161 1 451 . 1 1 103 103 LYS C C 13 176.9 0.3 . 1 . . . . 577 LYS C . 7161 1 452 . 1 1 103 103 LYS CA C 13 60.95 0.3 . 1 . . . . 577 LYS CA . 7161 1 453 . 1 1 103 103 LYS CB C 13 32.4 0.3 . 1 . . . . 577 LYS CB . 7161 1 454 . 1 1 103 103 LYS N N 15 120.3 0.2 . 1 . . . . 577 LYS N . 7161 1 455 . 1 1 104 104 GLN H H 1 8.159 0.02 . 1 . . . . 578 GLN H . 7161 1 456 . 1 1 104 104 GLN C C 13 179.7 0.3 . 1 . . . . 578 GLN C . 7161 1 457 . 1 1 104 104 GLN CA C 13 59.58 0.3 . 1 . . . . 578 GLN CA . 7161 1 458 . 1 1 104 104 GLN CB C 13 28.61 0.3 . 1 . . . . 578 GLN CB . 7161 1 459 . 1 1 104 104 GLN N N 15 118.4 0.2 . 1 . . . . 578 GLN N . 7161 1 460 . 1 1 105 105 ARG H H 1 7.56 0.02 . 1 . . . . 579 ARG H . 7161 1 461 . 1 1 105 105 ARG C C 13 178.5 0.3 . 1 . . . . 579 ARG C . 7161 1 462 . 1 1 105 105 ARG CA C 13 60.47 0.3 . 1 . . . . 579 ARG CA . 7161 1 463 . 1 1 105 105 ARG CB C 13 31.19 0.3 . 1 . . . . 579 ARG CB . 7161 1 464 . 1 1 105 105 ARG N N 15 119.2 0.2 . 1 . . . . 579 ARG N . 7161 1 465 . 1 1 106 106 ILE H H 1 8.549 0.02 . 1 . . . . 580 ILE H . 7161 1 466 . 1 1 106 106 ILE C C 13 178.2 0.3 . 1 . . . . 580 ILE C . 7161 1 467 . 1 1 106 106 ILE CA C 13 66.69 0.3 . 1 . . . . 580 ILE CA . 7161 1 468 . 1 1 106 106 ILE CB C 13 37.97 0.3 . 1 . . . . 580 ILE CB . 7161 1 469 . 1 1 106 106 ILE N N 15 122.9 0.2 . 1 . . . . 580 ILE N . 7161 1 470 . 1 1 107 107 ASP H H 1 9.056 0.02 . 1 . . . . 581 ASP H . 7161 1 471 . 1 1 107 107 ASP C C 13 180.7 0.3 . 1 . . . . 581 ASP C . 7161 1 472 . 1 1 107 107 ASP CA C 13 58.03 0.3 . 1 . . . . 581 ASP CA . 7161 1 473 . 1 1 107 107 ASP CB C 13 39.58 0.3 . 1 . . . . 581 ASP CB . 7161 1 474 . 1 1 107 107 ASP N N 15 121.6 0.2 . 1 . . . . 581 ASP N . 7161 1 475 . 1 1 108 108 GLU H H 1 8.164 0.02 . 1 . . . . 582 GLU H . 7161 1 476 . 1 1 108 108 GLU C C 13 179.1 0.3 . 1 . . . . 582 GLU C . 7161 1 477 . 1 1 108 108 GLU CA C 13 59.31 0.3 . 1 . . . . 582 GLU CA . 7161 1 478 . 1 1 108 108 GLU CB C 13 28.72 0.3 . 1 . . . . 582 GLU CB . 7161 1 479 . 1 1 108 108 GLU N N 15 121 0.2 . 1 . . . . 582 GLU N . 7161 1 480 . 1 1 109 109 PHE H H 1 8.354 0.02 . 1 . . . . 583 PHE H . 7161 1 481 . 1 1 109 109 PHE C C 13 177.6 0.3 . 1 . . . . 583 PHE C . 7161 1 482 . 1 1 109 109 PHE CA C 13 61.05 0.3 . 1 . . . . 583 PHE CA . 7161 1 483 . 1 1 109 109 PHE N N 15 123 0.2 . 1 . . . . 583 PHE N . 7161 1 484 . 1 1 110 110 GLU H H 1 8.644 0.02 . 1 . . . . 584 GLU H . 7161 1 485 . 1 1 110 110 GLU C C 13 177.6 0.3 . 1 . . . . 584 GLU C . 7161 1 486 . 1 1 110 110 GLU CA C 13 57.88 0.3 . 1 . . . . 584 GLU CA . 7161 1 487 . 1 1 110 110 GLU CB C 13 29.37 0.3 . 1 . . . . 584 GLU CB . 7161 1 488 . 1 1 110 110 GLU N N 15 117.7 0.2 . 1 . . . . 584 GLU N . 7161 1 489 . 1 1 111 111 ALA H H 1 7.408 0.02 . 1 . . . . 585 ALA H . 7161 1 490 . 1 1 111 111 ALA C C 13 178.4 0.3 . 1 . . . . 585 ALA C . 7161 1 491 . 1 1 111 111 ALA CA C 13 52.46 0.3 . 1 . . . . 585 ALA CA . 7161 1 492 . 1 1 111 111 ALA CB C 13 19.8 0.3 . 1 . . . . 585 ALA CB . 7161 1 493 . 1 1 111 111 ALA N N 15 119.4 0.2 . 1 . . . . 585 ALA N . 7161 1 494 . 1 1 112 112 LEU H H 1 7.108 0.02 . 1 . . . . 586 LEU H . 7161 1 495 . 1 1 112 112 LEU CA C 13 58.85 0.3 . 1 . . . . 586 LEU CA . 7161 1 496 . 1 1 112 112 LEU CB C 13 42.41 0.3 . 1 . . . . 586 LEU CB . 7161 1 497 . 1 1 112 112 LEU N N 15 126.4 0.2 . 1 . . . . 586 LEU N . 7161 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 159 7161 1 1 255 7161 1 stop_ save_