################################### # 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 27368 _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 'chemical shifts assignment by comparison with 1H-15N HSQC spectra of assigned Kaiso-DNA complexes' _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' . . . 27368 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 27368 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.Ambiguity_set_ID _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 4 4 LYS H H 1 8.471 . . 1 . . . . . 474 LYS H . 27368 1 2 . 1 1 4 4 LYS N N 15 122.042 . . 1 . . . . . 474 LYS N . 27368 1 3 . 1 1 5 5 ARG H H 1 8.58 . . 1 . . . . . 475 ARG H . 27368 1 4 . 1 1 5 5 ARG N N 15 122.24 . . 1 . . . . . 475 ARG N . 27368 1 5 . 1 1 7 7 LYS H H 1 8.384 . . 1 . . . . . 477 LYS H . 27368 1 6 . 1 1 7 7 LYS N N 15 123.766 . . 1 . . . . . 477 LYS N . 27368 1 7 . 1 1 8 8 VAL H H 1 8.123 . . 1 . . . . . 478 VAL H . 27368 1 8 . 1 1 8 8 VAL N N 15 122.413 . . 1 . . . . . 478 VAL N . 27368 1 9 . 1 1 9 9 LYS H H 1 8.358 . . 1 . . . . . 479 LYS H . 27368 1 10 . 1 1 9 9 LYS N N 15 126.227 . . 1 . . . . . 479 LYS N . 27368 1 11 . 1 1 10 10 HIS H H 1 8.33 . . 1 . . . . . 480 HIS H . 27368 1 12 . 1 1 10 10 HIS N N 15 121.62 . . 1 . . . . . 480 HIS N . 27368 1 13 . 1 1 12 12 ASP H H 1 8.091 . . 1 . . . . . 482 ASP H . 27368 1 14 . 1 1 12 12 ASP N N 15 118.211 . . 1 . . . . . 482 ASP N . 27368 1 15 . 1 1 14 14 TYR H H 1 8.384 . . 1 . . . . . 484 TYR H . 27368 1 16 . 1 1 14 14 TYR N N 15 116.213 . . 1 . . . . . 484 TYR N . 27368 1 17 . 1 1 15 15 GLU H H 1 8.774 . . 1 . . . . . 485 GLU H . 27368 1 18 . 1 1 15 15 GLU N N 15 120.826 . . 1 . . . . . 485 GLU N . 27368 1 19 . 1 1 16 16 LEU H H 1 8.865 . . 1 . . . . . 486 LEU H . 27368 1 20 . 1 1 16 16 LEU N N 15 125.832 . . 1 . . . . . 486 LEU N . 27368 1 21 . 1 1 17 17 ILE H H 1 8.436 . . 1 . . . . . 487 ILE H . 27368 1 22 . 1 1 17 17 ILE N N 15 125.243 . . 1 . . . . . 487 ILE N . 27368 1 23 . 1 1 18 18 VAL H H 1 9.344 . . 1 . . . . . 488 VAL H . 27368 1 24 . 1 1 18 18 VAL N N 15 129.275 . . 1 . . . . . 488 VAL N . 27368 1 25 . 1 1 19 19 ASP H H 1 9.041 . . 1 . . . . . 489 ASP H . 27368 1 26 . 1 1 19 19 ASP N N 15 128.909 . . 1 . . . . . 489 ASP N . 27368 1 27 . 1 1 20 20 GLY H H 1 8.09 . . 1 . . . . . 490 GLY H . 27368 1 28 . 1 1 20 20 GLY N N 15 102.424 . . 1 . . . . . 490 GLY N . 27368 1 29 . 1 1 21 21 ARG H H 1 7.831 . . 1 . . . . . 491 ARG H . 27368 1 30 . 1 1 21 21 ARG N N 15 122.679 . . 1 . . . . . 491 ARG N . 27368 1 31 . 1 1 22 22 VAL H H 1 8.059 . . 1 . . . . . 492 VAL H . 27368 1 32 . 1 1 22 22 VAL N N 15 123.6 . . 1 . . . . . 492 VAL N . 27368 1 33 . 1 1 23 23 TYR H H 1 8.861 . . 1 . . . . . 493 TYR H . 27368 1 34 . 1 1 23 23 TYR N N 15 124.775 . . 1 . . . . . 493 TYR N . 27368 1 35 . 1 1 24 24 TYR H H 1 9.168 . . 1 . . . . . 494 TYR H . 27368 1 36 . 1 1 24 24 TYR N N 15 120.502 . . 1 . . . . . 494 TYR N . 27368 1 37 . 1 1 25 25 ILE H H 1 9.025 . . 1 . . . . . 495 ILE H . 27368 1 38 . 1 1 25 25 ILE N N 15 124.884 . . 1 . . . . . 495 ILE N . 27368 1 39 . 1 1 26 26 CYS H H 1 8.95 . . 1 . . . . . 496 CYS H . 27368 1 40 . 1 1 26 26 CYS N N 15 127.564 . . 1 . . . . . 496 CYS N . 27368 1 41 . 1 1 27 27 ILE H H 1 8.118 . . 1 . . . . . 497 ILE H . 27368 1 42 . 1 1 27 27 ILE N N 15 129.449 . . 1 . . . . . 497 ILE N . 27368 1 43 . 1 1 28 28 VAL H H 1 8.906 . . 1 . . . . . 498 VAL H . 27368 1 44 . 1 1 28 28 VAL N N 15 123.854 . . 1 . . . . . 498 VAL N . 27368 1 45 . 1 1 29 29 CYS H H 1 8.246 . . 1 . . . . . 499 CYS H . 27368 1 46 . 1 1 29 29 CYS N N 15 117.427 . . 1 . . . . . 499 CYS N . 27368 1 47 . 1 1 30 30 LYS H H 1 8.044 . . 1 . . . . . 500 LYS H . 27368 1 48 . 1 1 30 30 LYS N N 15 117.823 . . 1 . . . . . 500 LYS N . 27368 1 49 . 1 1 31 31 ARG H H 1 7.938 . . 1 . . . . . 501 ARG H . 27368 1 50 . 1 1 31 31 ARG N N 15 121.342 . . 1 . . . . . 501 ARG N . 27368 1 51 . 1 1 32 32 SER H H 1 7.487 . . 1 . . . . . 502 SER H . 27368 1 52 . 1 1 32 32 SER N N 15 113.371 . . 1 . . . . . 502 SER N . 27368 1 53 . 1 1 33 33 TYR H H 1 8.887 . . 1 . . . . . 503 TYR H . 27368 1 54 . 1 1 33 33 TYR N N 15 121.76 . . 1 . . . . . 503 TYR N . 27368 1 55 . 1 1 34 34 VAL H H 1 10.036 . . 1 . . . . . 504 VAL H . 27368 1 56 . 1 1 34 34 VAL N N 15 120.33 . . 1 . . . . . 504 VAL N . 27368 1 57 . 1 1 35 35 CYS H H 1 7.381 . . 1 . . . . . 505 CYS H . 27368 1 58 . 1 1 35 35 CYS N N 15 115.107 . . 1 . . . . . 505 CYS N . 27368 1 59 . 1 1 36 36 LEU H H 1 8.572 . . 1 . . . . . 506 LEU H . 27368 1 60 . 1 1 36 36 LEU N N 15 130.008 . . 1 . . . . . 506 LEU N . 27368 1 61 . 1 1 37 37 THR H H 1 8.208 . . 1 . . . . . 507 THR H . 27368 1 62 . 1 1 37 37 THR N N 15 108.968 . . 1 . . . . . 507 THR N . 27368 1 63 . 1 1 38 38 SER H H 1 7.052 . . 1 . . . . . 508 SER H . 27368 1 64 . 1 1 38 38 SER N N 15 120.283 . . 1 . . . . . 508 SER N . 27368 1 65 . 1 1 39 39 LEU H H 1 7.136 . . 1 . . . . . 509 LEU H . 27368 1 66 . 1 1 39 39 LEU N N 15 128.029 . . 1 . . . . . 509 LEU N . 27368 1 67 . 1 1 40 40 ARG H H 1 7.989 . . 1 . . . . . 510 ARG H . 27368 1 68 . 1 1 40 40 ARG N N 15 120.002 . . 1 . . . . . 510 ARG N . 27368 1 69 . 1 1 41 41 ARG H H 1 7.68 . . 1 . . . . . 511 ARG H . 27368 1 70 . 1 1 41 41 ARG N N 15 120.906 . . 1 . . . . . 511 ARG N . 27368 1 71 . 1 1 42 42 HIS H H 1 7.716 . . 1 . . . . . 512 HIS H . 27368 1 72 . 1 1 42 42 HIS N N 15 117.176 . . 1 . . . . . 512 HIS N . 27368 1 73 . 1 1 43 43 PHE H H 1 8.829 . . 1 . . . . . 513 PHE H . 27368 1 74 . 1 1 43 43 PHE N N 15 118.818 . . 1 . . . . . 513 PHE N . 27368 1 75 . 1 1 44 44 ASN H H 1 6.73 . . 1 . . . . . 514 ASN H . 27368 1 76 . 1 1 44 44 ASN N N 15 113.958 . . 1 . . . . . 514 ASN N . 27368 1 77 . 1 1 46 46 HIS H H 1 7.084 . . 1 . . . . . 516 HIS H . 27368 1 78 . 1 1 46 46 HIS N N 15 113.029 . . 1 . . . . . 516 HIS N . 27368 1 79 . 1 1 47 47 SER H H 1 7.706 . . 1 . . . . . 517 SER H . 27368 1 80 . 1 1 47 47 SER N N 15 112.418 . . 1 . . . . . 517 SER N . 27368 1 81 . 1 1 48 48 TRP H H 1 9.211 . . 1 . . . . . 518 TRP H . 27368 1 82 . 1 1 48 48 TRP N N 15 122.853 . . 1 . . . . . 518 TRP N . 27368 1 83 . 1 1 49 49 GLU H H 1 7.729 . . 1 . . . . . 519 GLU H . 27368 1 84 . 1 1 49 49 GLU N N 15 119.669 . . 1 . . . . . 519 GLU N . 27368 1 85 . 1 1 50 50 LYS H H 1 9.023 . . 1 . . . . . 520 LYS H . 27368 1 86 . 1 1 50 50 LYS N N 15 118.497 . . 1 . . . . . 520 LYS N . 27368 1 87 . 1 1 52 52 TYR H H 1 7.684 . . 1 . . . . . 522 TYR H . 27368 1 88 . 1 1 52 52 TYR N N 15 117.141 . . 1 . . . . . 522 TYR N . 27368 1 89 . 1 1 54 54 CYS H H 1 9.054 . . 1 . . . . . 524 CYS H . 27368 1 90 . 1 1 54 54 CYS N N 15 126.248 . . 1 . . . . . 524 CYS N . 27368 1 91 . 1 1 55 55 ARG H H 1 9.595 . . 1 . . . . . 525 ARG H . 27368 1 92 . 1 1 55 55 ARG N N 15 130.298 . . 1 . . . . . 525 ARG N . 27368 1 93 . 1 1 56 56 TYR H H 1 10.359 . . 1 . . . . . 526 TYR H . 27368 1 94 . 1 1 56 56 TYR N N 15 122.581 . . 1 . . . . . 526 TYR N . 27368 1 95 . 1 1 57 57 CYS H H 1 8.332 . . 1 . . . . . 527 CYS H . 27368 1 96 . 1 1 57 57 CYS N N 15 122.803 . . 1 . . . . . 527 CYS N . 27368 1 97 . 1 1 58 58 GLU H H 1 8.643 . . 1 . . . . . 528 GLU H . 27368 1 98 . 1 1 58 58 GLU N N 15 115.891 . . 1 . . . . . 528 GLU N . 27368 1 99 . 1 1 59 59 LYS H H 1 8.619 . . 1 . . . . . 529 LYS H . 27368 1 100 . 1 1 59 59 LYS N N 15 125.029 . . 1 . . . . . 529 LYS N . 27368 1 101 . 1 1 60 60 VAL H H 1 7.913 . . 1 . . . . . 530 VAL H . 27368 1 102 . 1 1 60 60 VAL N N 15 118.973 . . 1 . . . . . 530 VAL N . 27368 1 103 . 1 1 61 61 PHE H H 1 8.006 . . 1 . . . . . 531 PHE H . 27368 1 104 . 1 1 61 61 PHE N N 15 122.037 . . 1 . . . . . 531 PHE N . 27368 1 105 . 1 1 63 63 LEU H H 1 6.506 . . 1 . . . . . 533 LEU H . 27368 1 106 . 1 1 63 63 LEU N N 15 122.012 . . 1 . . . . . 533 LEU N . 27368 1 107 . 1 1 64 64 ALA H H 1 7.764 . . 1 . . . . . 534 ALA H . 27368 1 108 . 1 1 64 64 ALA N N 15 127.286 . . 1 . . . . . 534 ALA N . 27368 1 109 . 1 1 65 65 GLU H H 1 9.472 . . 1 . . . . . 535 GLU H . 27368 1 110 . 1 1 65 65 GLU N N 15 114.187 . . 1 . . . . . 535 GLU N . 27368 1 111 . 1 1 66 66 TYR H H 1 6.398 . . 1 . . . . . 536 TYR H . 27368 1 112 . 1 1 66 66 TYR N N 15 119.026 . . 1 . . . . . 536 TYR N . 27368 1 113 . 1 1 67 67 ARG H H 1 6.981 . . 1 . . . . . 537 ARG H . 27368 1 114 . 1 1 67 67 ARG N N 15 120.902 . . 1 . . . . . 537 ARG N . 27368 1 115 . 1 1 69 69 LYS H H 1 7.768 . . 1 . . . . . 539 LYS H . 27368 1 116 . 1 1 69 69 LYS N N 15 116.499 . . 1 . . . . . 539 LYS N . 27368 1 117 . 1 1 70 70 HIS H H 1 7.356 . . 1 . . . . . 540 HIS H . 27368 1 118 . 1 1 70 70 HIS N N 15 118.865 . . 1 . . . . . 540 HIS N . 27368 1 119 . 1 1 71 71 GLU H H 1 9.375 . . 1 . . . . . 541 GLU H . 27368 1 120 . 1 1 71 71 GLU N N 15 122.072 . . 1 . . . . . 541 GLU N . 27368 1 121 . 1 1 72 72 ILE H H 1 8.042 . . 1 . . . . . 542 ILE H . 27368 1 122 . 1 1 72 72 ILE N N 15 120.828 . . 1 . . . . . 542 ILE N . 27368 1 123 . 1 1 73 73 HIS H H 1 7.611 . . 1 . . . . . 543 HIS H . 27368 1 124 . 1 1 73 73 HIS N N 15 118.315 . . 1 . . . . . 543 HIS N . 27368 1 125 . 1 1 74 74 HIS H H 1 7.412 . . 1 . . . . . 544 HIS H . 27368 1 126 . 1 1 74 74 HIS N N 15 116.011 . . 1 . . . . . 544 HIS N . 27368 1 127 . 1 1 75 75 THR H H 1 7.8 . . 1 . . . . . 545 THR H . 27368 1 128 . 1 1 75 75 THR N N 15 109.053 . . 1 . . . . . 545 THR N . 27368 1 129 . 1 1 76 76 GLY H H 1 8.36 . . 1 . . . . . 546 GLY H . 27368 1 130 . 1 1 76 76 GLY N N 15 110.584 . . 1 . . . . . 546 GLY N . 27368 1 131 . 1 1 77 77 GLU H H 1 7.163 . . 1 . . . . . 547 GLU H . 27368 1 132 . 1 1 77 77 GLU N N 15 122.208 . . 1 . . . . . 547 GLU N . 27368 1 133 . 1 1 78 78 ARG H H 1 8.64 . . 1 . . . . . 548 ARG H . 27368 1 134 . 1 1 78 78 ARG N N 15 128.865 . . 1 . . . . . 548 ARG N . 27368 1 135 . 1 1 79 79 ARG H H 1 9.187 . . 1 . . . . . 549 ARG H . 27368 1 136 . 1 1 79 79 ARG N N 15 121.781 . . 1 . . . . . 549 ARG N . 27368 1 137 . 1 1 80 80 TYR H H 1 8.224 . . 1 . . . . . 550 TYR H . 27368 1 138 . 1 1 80 80 TYR N N 15 116.256 . . 1 . . . . . 550 TYR N . 27368 1 139 . 1 1 81 81 GLN H H 1 9.549 . . 1 . . . . . 551 GLN H . 27368 1 140 . 1 1 81 81 GLN N N 15 125.133 . . 1 . . . . . 551 GLN N . 27368 1 141 . 1 1 82 82 CYS H H 1 9.298 . . 1 . . . . . 552 CYS H . 27368 1 142 . 1 1 82 82 CYS N N 15 128.547 . . 1 . . . . . 552 CYS N . 27368 1 143 . 1 1 83 83 LEU H H 1 8.572 . . 1 . . . . . 553 LEU H . 27368 1 144 . 1 1 83 83 LEU N N 15 130.227 . . 1 . . . . . 553 LEU N . 27368 1 145 . 1 1 84 84 ALA H H 1 8.735 . . 1 . . . . . 554 ALA H . 27368 1 146 . 1 1 84 84 ALA N N 15 124.888 . . 1 . . . . . 554 ALA N . 27368 1 147 . 1 1 85 85 CYS H H 1 8.062 . . 1 . . . . . 555 CYS H . 27368 1 148 . 1 1 85 85 CYS N N 15 113.462 . . 1 . . . . . 555 CYS N . 27368 1 149 . 1 1 86 86 GLY H H 1 8.012 . . 1 . . . . . 556 GLY H . 27368 1 150 . 1 1 86 86 GLY N N 15 114.146 . . 1 . . . . . 556 GLY N . 27368 1 151 . 1 1 87 87 LYS H H 1 7.944 . . 1 . . . . . 557 LYS H . 27368 1 152 . 1 1 87 87 LYS N N 15 123.282 . . 1 . . . . . 557 LYS N . 27368 1 153 . 1 1 89 89 PHE H H 1 9.402 . . 1 . . . . . 559 PHE H . 27368 1 154 . 1 1 89 89 PHE N N 15 117.825 . . 1 . . . . . 559 PHE N . 27368 1 155 . 1 1 90 90 ILE H H 1 9.221 . . 1 . . . . . 560 ILE H . 27368 1 156 . 1 1 90 90 ILE N N 15 118.446 . . 1 . . . . . 560 ILE N . 27368 1 157 . 1 1 91 91 ASN H H 1 7.282 . . 1 . . . . . 561 ASN H . 27368 1 158 . 1 1 91 91 ASN N N 15 114.681 . . 1 . . . . . 561 ASN N . 27368 1 159 . 1 1 93 93 GLN H H 1 8.416 . . 1 . . . . . 563 GLN H . 27368 1 160 . 1 1 93 93 GLN N N 15 119.444 . . 1 . . . . . 563 GLN N . 27368 1 161 . 1 1 94 94 PHE H H 1 9.044 . . 1 . . . . . 564 PHE H . 27368 1 162 . 1 1 94 94 PHE N N 15 118.499 . . 1 . . . . . 564 PHE N . 27368 1 163 . 1 1 95 95 MET H H 1 6.986 . . 1 . . . . . 565 MET H . 27368 1 164 . 1 1 95 95 MET N N 15 121.142 . . 1 . . . . . 565 MET N . 27368 1 165 . 1 1 96 96 SER H H 1 8.862 . . 1 . . . . . 566 SER H . 27368 1 166 . 1 1 96 96 SER N N 15 115.886 . . 1 . . . . . 566 SER N . 27368 1 167 . 1 1 98 98 HIS H H 1 7.453 . . 1 . . . . . 568 HIS H . 27368 1 168 . 1 1 98 98 HIS N N 15 120.678 . . 1 . . . . . 568 HIS N . 27368 1 169 . 1 1 99 99 ILE H H 1 8.515 . . 1 . . . . . 569 ILE H . 27368 1 170 . 1 1 99 99 ILE N N 15 120.892 . . 1 . . . . . 569 ILE N . 27368 1 171 . 1 1 100 100 LYS H H 1 8.346 . . 1 . . . . . 570 LYS H . 27368 1 172 . 1 1 100 100 LYS N N 15 118.552 . . 1 . . . . . 570 LYS N . 27368 1 173 . 1 1 101 101 SER H H 1 7.847 . . 1 . . . . . 571 SER H . 27368 1 174 . 1 1 101 101 SER N N 15 112.354 . . 1 . . . . . 571 SER N . 27368 1 175 . 1 1 102 102 VAL H H 1 8.445 . . 1 . . . . . 572 VAL H . 27368 1 176 . 1 1 102 102 VAL N N 15 119.924 . . 1 . . . . . 572 VAL N . 27368 1 177 . 1 1 103 103 HIS H H 1 7.05 . . 1 . . . . . 573 HIS H . 27368 1 178 . 1 1 103 103 HIS N N 15 114.13 . . 1 . . . . . 573 HIS N . 27368 1 179 . 1 1 104 104 SER H H 1 7.272 . . 1 . . . . . 574 SER H . 27368 1 180 . 1 1 104 104 SER N N 15 112.833 . . 1 . . . . . 574 SER N . 27368 1 181 . 1 1 105 105 GLN H H 1 7.51 . . 1 . . . . . 575 GLN H . 27368 1 182 . 1 1 105 105 GLN N N 15 117.392 . . 1 . . . . . 575 GLN N . 27368 1 183 . 1 1 106 106 ASP H H 1 8.015 . . 1 . . . . . 576 ASP H . 27368 1 184 . 1 1 106 106 ASP N N 15 119.479 . . 1 . . . . . 576 ASP N . 27368 1 185 . 1 1 108 108 SER H H 1 8.259 . . 1 . . . . . 578 SER H . 27368 1 186 . 1 1 108 108 SER N N 15 114.957 . . 1 . . . . . 578 SER N . 27368 1 187 . 1 1 109 109 GLY H H 1 8.483 . . 1 . . . . . 579 GLY H . 27368 1 188 . 1 1 109 109 GLY N N 15 111.333 . . 1 . . . . . 579 GLY N . 27368 1 189 . 1 1 111 111 SER H H 1 7.895 . . 1 . . . . . 581 SER H . 27368 1 190 . 1 1 111 111 SER N N 15 115.3 . . 1 . . . . . 581 SER N . 27368 1 191 . 1 1 113 113 LEU H H 1 8.408 . . 1 . . . . . 583 LEU H . 27368 1 192 . 1 1 113 113 LEU N N 15 120.148 . . 1 . . . . . 583 LEU N . 27368 1 193 . 1 1 114 114 TYR H H 1 7.507 . . 1 . . . . . 584 TYR H . 27368 1 194 . 1 1 114 114 TYR N N 15 115.437 . . 1 . . . . . 584 TYR N . 27368 1 195 . 1 1 115 115 ARG H H 1 8.984 . . 1 . . . . . 585 ARG H . 27368 1 196 . 1 1 115 115 ARG N N 15 120.157 . . 1 . . . . . 585 ARG N . 27368 1 197 . 1 1 116 116 LEU H H 1 8.536 . . 1 . . . . . 586 LEU H . 27368 1 198 . 1 1 116 116 LEU N N 15 129.214 . . 1 . . . . . 586 LEU N . 27368 1 199 . 1 1 117 117 HIS H H 1 8.973 . . 1 . . . . . 587 HIS H . 27368 1 200 . 1 1 117 117 HIS N N 15 126.662 . . 1 . . . . . 587 HIS N . 27368 1 201 . 1 1 119 119 CYS H H 1 9.416 . . 1 . . . . . 589 CYS H . 27368 1 202 . 1 1 119 119 CYS N N 15 124.238 . . 1 . . . . . 589 CYS N . 27368 1 203 . 1 1 120 120 ARG H H 1 11.033 . . 1 . . . . . 590 ARG H . 27368 1 204 . 1 1 120 120 ARG N N 15 130.805 . . 1 . . . . . 590 ARG N . 27368 1 205 . 1 1 121 121 SER H H 1 9.418 . . 1 . . . . . 591 SER H . 27368 1 206 . 1 1 121 121 SER N N 15 116.902 . . 1 . . . . . 591 SER N . 27368 1 207 . 1 1 122 122 LEU H H 1 7.228 . . 1 . . . . . 592 LEU H . 27368 1 208 . 1 1 122 122 LEU N N 15 120.971 . . 1 . . . . . 592 LEU N . 27368 1 209 . 1 1 124 124 ILE H H 1 7.316 . . 1 . . . . . 594 ILE H . 27368 1 210 . 1 1 124 124 ILE N N 15 117.226 . . 1 . . . . . 594 ILE N . 27368 1 211 . 1 1 125 125 ARG H H 1 8.973 . . 1 . . . . . 595 ARG H . 27368 1 212 . 1 1 125 125 ARG N N 15 123.992 . . 1 . . . . . 595 ARG N . 27368 1 213 . 1 1 126 126 GLN H H 1 8.374 . . 1 . . . . . 596 GLN H . 27368 1 214 . 1 1 126 126 GLN N N 15 126.019 . . 1 . . . . . 596 GLN N . 27368 1 215 . 1 1 127 127 TYR H H 1 7.498 . . 1 . . . . . 597 TYR H . 27368 1 216 . 1 1 127 127 TYR N N 15 122.074 . . 1 . . . . . 597 TYR N . 27368 1 217 . 1 1 128 128 ALA H H 1 9.699 . . 1 . . . . . 598 ALA H . 27368 1 218 . 1 1 128 128 ALA N N 15 129.699 . . 1 . . . . . 598 ALA N . 27368 1 219 . 1 1 129 129 TYR H H 1 8.413 . . 1 . . . . . 599 TYR H . 27368 1 220 . 1 1 129 129 TYR N N 15 114.722 . . 1 . . . . . 599 TYR N . 27368 1 221 . 1 1 130 130 LEU H H 1 7.091 . . 1 . . . . . 600 LEU H . 27368 1 222 . 1 1 130 130 LEU N N 15 120.347 . . 1 . . . . . 600 LEU N . 27368 1 223 . 1 1 132 132 ASP H H 1 8.199 . . 1 . . . . . 602 ASP H . 27368 1 224 . 1 1 132 132 ASP N N 15 122.343 . . 1 . . . . . 602 ASP N . 27368 1 225 . 1 1 133 133 ARG H H 1 8.15 . . 1 . . . . . 603 ARG H . 27368 1 226 . 1 1 133 133 ARG N N 15 121.45 . . 1 . . . . . 603 ARG N . 27368 1 227 . 1 1 134 134 SER H H 1 7.944 . . 1 . . . . . 604 SER H . 27368 1 228 . 1 1 134 134 SER N N 15 122.717 . . 1 . . . . . 604 SER N . 27368 1 stop_ save_