################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51724 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_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 $chem_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' . . . 51724 1 2 '3D 1H-15N NOESY' . . . 51724 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 $software_1 . . 51724 1 2 $software_2 . . 51724 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 ALA H H 1 8.589 0.000 . 1 . . . . . 402 ALA H . 51724 1 2 . 1 . 1 2 2 ALA N N 15 122.654 0.045 . 1 . . . . . 402 ALA N . 51724 1 3 . 1 . 1 3 3 MET H H 1 8.514 0.002 . 1 . . . . . 403 MET H . 51724 1 4 . 1 . 1 3 3 MET N N 15 120.081 0.001 . 1 . . . . . 403 MET N . 51724 1 5 . 1 . 1 4 4 GLY H H 1 8.406 0.003 . 1 . . . . . 404 GLY H . 51724 1 6 . 1 . 1 4 4 GLY N N 15 110.334 0.005 . 1 . . . . . 404 GLY N . 51724 1 7 . 1 . 1 5 5 SER H H 1 8.257 0.004 . 1 . . . . . 405 SER H . 51724 1 8 . 1 . 1 5 5 SER N N 15 115.910 0.011 . 1 . . . . . 405 SER N . 51724 1 9 . 1 . 1 6 6 GLY H H 1 8.512 0.002 . 1 . . . . . 406 GLY H . 51724 1 10 . 1 . 1 6 6 GLY N N 15 110.401 0.009 . 1 . . . . . 406 GLY N . 51724 1 11 . 1 . 1 7 7 ARG H H 1 8.053 0.002 . 1 . . . . . 407 ARG H . 51724 1 12 . 1 . 1 7 7 ARG N N 15 117.017 0.030 . 1 . . . . . 407 ARG N . 51724 1 13 . 1 . 1 8 8 ASN H H 1 7.918 0.003 . 1 . . . . . 408 ASN H . 51724 1 14 . 1 . 1 8 8 ASN HD21 H 1 7.845 0.000 . 1 . . . . . 408 ASN HD21 . 51724 1 15 . 1 . 1 8 8 ASN HD22 H 1 6.818 0.000 . 1 . . . . . 408 ASN HD22 . 51724 1 16 . 1 . 1 8 8 ASN N N 15 116.398 0.005 . 1 . . . . . 408 ASN N . 51724 1 17 . 1 . 1 8 8 ASN ND2 N 15 115.561 0.003 . 1 . . . . . 408 ASN ND2 . 51724 1 18 . 1 . 1 9 9 LEU H H 1 9.497 0.006 . 1 . . . . . 409 LEU H . 51724 1 19 . 1 . 1 9 9 LEU N N 15 123.606 0.018 . 1 . . . . . 409 LEU N . 51724 1 20 . 1 . 1 10 10 TRP H H 1 9.671 0.000 . 1 . . . . . 410 TRP H . 51724 1 21 . 1 . 1 10 10 TRP HE1 H 1 9.686 0.002 . 1 . . . . . 410 TRP HE1 . 51724 1 22 . 1 . 1 10 10 TRP N N 15 122.921 0.021 . 1 . . . . . 410 TRP N . 51724 1 23 . 1 . 1 10 10 TRP NE1 N 15 128.448 0.005 . 1 . . . . . 410 TRP NE1 . 51724 1 24 . 1 . 1 11 11 VAL H H 1 9.210 0.002 . 1 . . . . . 411 VAL H . 51724 1 25 . 1 . 1 11 11 VAL N N 15 128.445 0.034 . 1 . . . . . 411 VAL N . 51724 1 26 . 1 . 1 12 12 SER H H 1 9.114 0.000 . 1 . . . . . 412 SER H . 51724 1 27 . 1 . 1 12 12 SER N N 15 120.579 0.019 . 1 . . . . . 412 SER N . 51724 1 28 . 1 . 1 13 13 GLY H H 1 8.781 0.005 . 1 . . . . . 413 GLY H . 51724 1 29 . 1 . 1 13 13 GLY N N 15 108.538 0.008 . 1 . . . . . 413 GLY N . 51724 1 30 . 1 . 1 14 14 LEU H H 1 6.725 0.012 . 1 . . . . . 414 LEU H . 51724 1 31 . 1 . 1 14 14 LEU N N 15 114.405 0.106 . 1 . . . . . 414 LEU N . 51724 1 32 . 1 . 1 15 15 SER H H 1 9.065 0.044 . 1 . . . . . 415 SER H . 51724 1 33 . 1 . 1 15 15 SER N N 15 115.279 0.045 . 1 . . . . . 415 SER N . 51724 1 34 . 1 . 1 16 16 SER H H 1 8.895 0.018 . 1 . . . . . 416 SER H . 51724 1 35 . 1 . 1 16 16 SER N N 15 121.235 0.051 . 1 . . . . . 416 SER N . 51724 1 36 . 1 . 1 17 17 THR H H 1 7.798 0.035 . 1 . . . . . 417 THR H . 51724 1 37 . 1 . 1 17 17 THR N N 15 111.338 0.213 . 1 . . . . . 417 THR N . 51724 1 38 . 1 . 1 18 18 THR H H 1 7.378 0.012 . 1 . . . . . 418 THR H . 51724 1 39 . 1 . 1 18 18 THR N N 15 120.631 0.050 . 1 . . . . . 418 THR N . 51724 1 40 . 1 . 1 19 19 ARG H H 1 9.238 0.029 . 1 . . . . . 419 ARG H . 51724 1 41 . 1 . 1 19 19 ARG N N 15 126.305 0.070 . 1 . . . . . 419 ARG N . 51724 1 42 . 1 . 1 20 20 ALA H H 1 9.331 0.000 . 1 . . . . . 420 ALA H . 51724 1 43 . 1 . 1 20 20 ALA N N 15 125.914 0.007 . 1 . . . . . 420 ALA N . 51724 1 44 . 1 . 1 21 21 THR H H 1 8.084 0.000 . 1 . . . . . 421 THR H . 51724 1 45 . 1 . 1 21 21 THR N N 15 109.323 0.007 . 1 . . . . . 421 THR N . 51724 1 46 . 1 . 1 22 22 ASP H H 1 7.065 0.013 . 1 . . . . . 422 ASP H . 51724 1 47 . 1 . 1 22 22 ASP N N 15 119.898 0.033 . 1 . . . . . 422 ASP N . 51724 1 48 . 1 . 1 23 23 LEU H H 1 7.245 0.004 . 1 . . . . . 423 LEU H . 51724 1 49 . 1 . 1 23 23 LEU N N 15 117.578 0.030 . 1 . . . . . 423 LEU N . 51724 1 50 . 1 . 1 24 24 LYS H H 1 8.395 0.000 . 1 . . . . . 424 LYS H . 51724 1 51 . 1 . 1 24 24 LYS N N 15 119.538 0.019 . 1 . . . . . 424 LYS N . 51724 1 52 . 1 . 1 25 25 ASN H H 1 8.225 0.006 . 1 . . . . . 425 ASN H . 51724 1 53 . 1 . 1 25 25 ASN HD21 H 1 6.868 0.000 . 1 . . . . . 425 ASN HD21 . 51724 1 54 . 1 . 1 25 25 ASN HD22 H 1 7.693 0.000 . 1 . . . . . 425 ASN HD22 . 51724 1 55 . 1 . 1 25 25 ASN N N 15 117.768 0.027 . 1 . . . . . 425 ASN N . 51724 1 56 . 1 . 1 25 25 ASN ND2 N 15 112.470 0.001 . 1 . . . . . 425 ASN ND2 . 51724 1 57 . 1 . 1 26 26 LEU H H 1 7.632 0.007 . 1 . . . . . 426 LEU H . 51724 1 58 . 1 . 1 26 26 LEU N N 15 120.726 0.044 . 1 . . . . . 426 LEU N . 51724 1 59 . 1 . 1 27 27 PHE H H 1 8.540 0.020 . 1 . . . . . 427 PHE H . 51724 1 60 . 1 . 1 27 27 PHE N N 15 115.330 0.064 . 1 . . . . . 427 PHE N . 51724 1 61 . 1 . 1 28 28 SER H H 1 7.822 0.011 . 1 . . . . . 428 SER H . 51724 1 62 . 1 . 1 28 28 SER N N 15 113.606 0.031 . 1 . . . . . 428 SER N . 51724 1 63 . 1 . 1 29 29 LYS H H 1 6.949 0.001 . 1 . . . . . 429 LYS H . 51724 1 64 . 1 . 1 29 29 LYS N N 15 119.725 0.033 . 1 . . . . . 429 LYS N . 51724 1 65 . 1 . 1 30 30 TYR H H 1 7.248 0.006 . 1 . . . . . 430 TYR H . 51724 1 66 . 1 . 1 30 30 TYR N N 15 113.817 0.050 . 1 . . . . . 430 TYR N . 51724 1 67 . 1 . 1 31 31 GLY H H 1 7.132 0.005 . 1 . . . . . 431 GLY H . 51724 1 68 . 1 . 1 31 31 GLY N N 15 104.997 0.006 . 1 . . . . . 431 GLY N . 51724 1 69 . 1 . 1 32 32 LYS H H 1 8.274 0.050 . 1 . . . . . 432 LYS H . 51724 1 70 . 1 . 1 32 32 LYS N N 15 121.047 0.611 . 1 . . . . . 432 LYS N . 51724 1 71 . 1 . 1 33 33 VAL H H 1 8.689 0.003 . 1 . . . . . 433 VAL H . 51724 1 72 . 1 . 1 33 33 VAL N N 15 128.481 0.017 . 1 . . . . . 433 VAL N . 51724 1 73 . 1 . 1 34 34 VAL H H 1 8.938 0.001 . 1 . . . . . 434 VAL H . 51724 1 74 . 1 . 1 34 34 VAL N N 15 128.575 0.077 . 1 . . . . . 434 VAL N . 51724 1 75 . 1 . 1 35 35 GLY H H 1 7.505 0.009 . 1 . . . . . 435 GLY H . 51724 1 76 . 1 . 1 35 35 GLY N N 15 107.144 0.035 . 1 . . . . . 435 GLY N . 51724 1 77 . 1 . 1 36 36 ALA H H 1 8.215 0.004 . 1 . . . . . 436 ALA H . 51724 1 78 . 1 . 1 36 36 ALA N N 15 122.088 0.011 . 1 . . . . . 436 ALA N . 51724 1 79 . 1 . 1 37 37 LYS H H 1 8.651 0.012 . 1 . . . . . 437 LYS H . 51724 1 80 . 1 . 1 37 37 LYS N N 15 119.581 0.001 . 1 . . . . . 437 LYS N . 51724 1 81 . 1 . 1 38 38 VAL H H 1 8.570 0.005 . 1 . . . . . 438 VAL H . 51724 1 82 . 1 . 1 38 38 VAL N N 15 121.302 0.008 . 1 . . . . . 438 VAL N . 51724 1 83 . 1 . 1 39 39 VAL H H 1 9.127 0.004 . 1 . . . . . 439 VAL H . 51724 1 84 . 1 . 1 39 39 VAL N N 15 127.568 0.033 . 1 . . . . . 439 VAL N . 51724 1 85 . 1 . 1 40 40 THR H H 1 8.257 0.007 . 1 . . . . . 440 THR H . 51724 1 86 . 1 . 1 40 40 THR N N 15 118.231 0.006 . 1 . . . . . 440 THR N . 51724 1 87 . 1 . 1 41 41 ASN H H 1 8.530 0.003 . 1 . . . . . 441 ASN H . 51724 1 88 . 1 . 1 41 41 ASN HD21 H 1 6.841 0.000 . 1 . . . . . 441 ASN HD21 . 51724 1 89 . 1 . 1 41 41 ASN HD22 H 1 7.574 0.000 . 1 . . . . . 441 ASN HD22 . 51724 1 90 . 1 . 1 41 41 ASN N N 15 122.040 0.051 . 1 . . . . . 441 ASN N . 51724 1 91 . 1 . 1 41 41 ASN ND2 N 15 112.150 0.001 . 1 . . . . . 441 ASN ND2 . 51724 1 92 . 1 . 1 42 42 ALA H H 1 8.429 0.006 . 1 . . . . . 442 ALA H . 51724 1 93 . 1 . 1 42 42 ALA N N 15 124.971 0.006 . 1 . . . . . 442 ALA N . 51724 1 94 . 1 . 1 43 43 ARG H H 1 8.195 0.001 . 1 . . . . . 443 ARG H . 51724 1 95 . 1 . 1 43 43 ARG N N 15 116.772 0.054 . 1 . . . . . 443 ARG N . 51724 1 96 . 1 . 1 44 44 SER H H 1 7.474 0.006 . 1 . . . . . 444 SER H . 51724 1 97 . 1 . 1 44 44 SER N N 15 114.998 0.009 . 1 . . . . . 444 SER N . 51724 1 98 . 1 . 1 46 46 GLY H H 1 8.572 0.003 . 1 . . . . . 446 GLY H . 51724 1 99 . 1 . 1 46 46 GLY N N 15 110.370 0.011 . 1 . . . . . 446 GLY N . 51724 1 100 . 1 . 1 47 47 ALA H H 1 7.770 0.008 . 1 . . . . . 447 ALA H . 51724 1 101 . 1 . 1 47 47 ALA N N 15 123.578 0.003 . 1 . . . . . 447 ALA N . 51724 1 102 . 1 . 1 48 48 ARG H H 1 8.228 0.001 . 1 . . . . . 448 ARG H . 51724 1 103 . 1 . 1 48 48 ARG N N 15 119.831 0.044 . 1 . . . . . 448 ARG N . 51724 1 104 . 1 . 1 49 49 CYS H H 1 8.323 0.005 . 1 . . . . . 449 CYS H . 51724 1 105 . 1 . 1 49 49 CYS N N 15 120.258 0.039 . 1 . . . . . 449 CYS N . 51724 1 106 . 1 . 1 50 50 TYR H H 1 8.458 0.006 . 1 . . . . . 450 TYR H . 51724 1 107 . 1 . 1 50 50 TYR N N 15 121.023 0.073 . 1 . . . . . 450 TYR N . 51724 1 108 . 1 . 1 51 51 GLY H H 1 9.542 0.007 . 1 . . . . . 451 GLY H . 51724 1 109 . 1 . 1 51 51 GLY N N 15 107.279 0.017 . 1 . . . . . 451 GLY N . 51724 1 110 . 1 . 1 52 52 PHE H H 1 8.859 0.005 . 1 . . . . . 452 PHE H . 51724 1 111 . 1 . 1 52 52 PHE N N 15 122.643 0.002 . 1 . . . . . 452 PHE N . 51724 1 112 . 1 . 1 53 53 VAL H H 1 8.503 0.008 . 1 . . . . . 453 VAL H . 51724 1 113 . 1 . 1 53 53 VAL N N 15 127.062 0.030 . 1 . . . . . 453 VAL N . 51724 1 114 . 1 . 1 54 54 THR H H 1 8.738 0.006 . 1 . . . . . 454 THR H . 51724 1 115 . 1 . 1 54 54 THR N N 15 124.588 0.008 . 1 . . . . . 454 THR N . 51724 1 116 . 1 . 1 55 55 MET H H 1 8.445 0.005 . 1 . . . . . 455 MET H . 51724 1 117 . 1 . 1 55 55 MET N N 15 124.282 0.007 . 1 . . . . . 455 MET N . 51724 1 118 . 1 . 1 56 56 SER H H 1 8.689 0.005 . 1 . . . . . 456 SER H . 51724 1 119 . 1 . 1 56 56 SER N N 15 115.887 0.001 . 1 . . . . . 456 SER N . 51724 1 120 . 1 . 1 57 57 THR H H 1 7.608 0.004 . 1 . . . . . 457 THR H . 51724 1 121 . 1 . 1 57 57 THR N N 15 109.021 0.014 . 1 . . . . . 457 THR N . 51724 1 122 . 1 . 1 58 58 SER H H 1 9.100 0.006 . 1 . . . . . 458 SER H . 51724 1 123 . 1 . 1 58 58 SER N N 15 117.661 0.010 . 1 . . . . . 458 SER N . 51724 1 124 . 1 . 1 59 59 ASP H H 1 8.333 0.000 . 1 . . . . . 459 ASP H . 51724 1 125 . 1 . 1 59 59 ASP N N 15 122.000 0.053 . 1 . . . . . 459 ASP N . 51724 1 126 . 1 . 1 60 60 GLU H H 1 7.950 0.003 . 1 . . . . . 460 GLU H . 51724 1 127 . 1 . 1 60 60 GLU N N 15 120.240 0.074 . 1 . . . . . 460 GLU N . 51724 1 128 . 1 . 1 61 61 ALA H H 1 7.545 0.007 . 1 . . . . . 461 ALA H . 51724 1 129 . 1 . 1 61 61 ALA N N 15 121.480 0.004 . 1 . . . . . 461 ALA N . 51724 1 130 . 1 . 1 62 62 THR H H 1 8.451 0.007 . 1 . . . . . 462 THR H . 51724 1 131 . 1 . 1 62 62 THR N N 15 115.895 0.029 . 1 . . . . . 462 THR N . 51724 1 132 . 1 . 1 63 63 LYS H H 1 8.012 0.013 . 1 . . . . . 463 LYS H . 51724 1 133 . 1 . 1 63 63 LYS N N 15 123.215 0.058 . 1 . . . . . 463 LYS N . 51724 1 134 . 1 . 1 64 64 CYS H H 1 8.117 0.013 . 1 . . . . . 464 CYS H . 51724 1 135 . 1 . 1 64 64 CYS N N 15 117.148 0.152 . 1 . . . . . 464 CYS N . 51724 1 136 . 1 . 1 65 65 ILE H H 1 7.654 0.024 . 1 . . . . . 465 ILE H . 51724 1 137 . 1 . 1 65 65 ILE N N 15 120.094 0.063 . 1 . . . . . 465 ILE N . 51724 1 138 . 1 . 1 66 66 SER H H 1 7.812 0.025 . 1 . . . . . 466 SER H . 51724 1 139 . 1 . 1 66 66 SER N N 15 112.611 0.100 . 1 . . . . . 466 SER N . 51724 1 140 . 1 . 1 67 67 HIS H H 1 7.337 0.003 . 1 . . . . . 467 HIS H . 51724 1 141 . 1 . 1 67 67 HIS N N 15 113.475 0.244 . 1 . . . . . 467 HIS N . 51724 1 142 . 1 . 1 68 68 LEU H H 1 8.075 0.009 . 1 . . . . . 468 LEU H . 51724 1 143 . 1 . 1 68 68 LEU N N 15 115.791 0.080 . 1 . . . . . 468 LEU N . 51724 1 144 . 1 . 1 69 69 HIS H H 1 6.988 0.000 . 1 . . . . . 469 HIS H . 51724 1 145 . 1 . 1 69 69 HIS N N 15 114.262 0.000 . 1 . . . . . 469 HIS N . 51724 1 146 . 1 . 1 70 70 ARG H H 1 7.949 0.047 . 1 . . . . . 470 ARG H . 51724 1 147 . 1 . 1 70 70 ARG N N 15 121.124 0.115 . 1 . . . . . 470 ARG N . 51724 1 148 . 1 . 1 71 71 THR H H 1 7.117 0.000 . 1 . . . . . 471 THR H . 51724 1 149 . 1 . 1 71 71 THR N N 15 109.266 0.000 . 1 . . . . . 471 THR N . 51724 1 150 . 1 . 1 72 72 GLU H H 1 8.123 0.008 . 1 . . . . . 472 GLU H . 51724 1 151 . 1 . 1 72 72 GLU N N 15 118.677 0.042 . 1 . . . . . 472 GLU N . 51724 1 152 . 1 . 1 73 73 LEU H H 1 9.136 0.005 . 1 . . . . . 473 LEU H . 51724 1 153 . 1 . 1 73 73 LEU N N 15 126.666 0.103 . 1 . . . . . 473 LEU N . 51724 1 154 . 1 . 1 74 74 HIS H H 1 9.619 0.009 . 1 . . . . . 474 HIS H . 51724 1 155 . 1 . 1 74 74 HIS N N 15 127.809 0.139 . 1 . . . . . 474 HIS N . 51724 1 156 . 1 . 1 75 75 GLY H H 1 8.791 0.007 . 1 . . . . . 475 GLY H . 51724 1 157 . 1 . 1 75 75 GLY N N 15 103.157 0.069 . 1 . . . . . 475 GLY N . 51724 1 158 . 1 . 1 76 76 ARG H H 1 7.469 0.002 . 1 . . . . . 476 ARG H . 51724 1 159 . 1 . 1 76 76 ARG N N 15 119.167 0.026 . 1 . . . . . 476 ARG N . 51724 1 160 . 1 . 1 77 77 MET H H 1 8.386 0.013 . 1 . . . . . 477 MET H . 51724 1 161 . 1 . 1 77 77 MET N N 15 121.145 0.104 . 1 . . . . . 477 MET N . 51724 1 162 . 1 . 1 78 78 ILE H H 1 8.835 0.002 . 1 . . . . . 478 ILE H . 51724 1 163 . 1 . 1 78 78 ILE N N 15 122.370 0.091 . 1 . . . . . 478 ILE N . 51724 1 164 . 1 . 1 79 79 SER H H 1 8.393 0.002 . 1 . . . . . 479 SER H . 51724 1 165 . 1 . 1 79 79 SER N N 15 117.316 0.037 . 1 . . . . . 479 SER N . 51724 1 166 . 1 . 1 80 80 VAL H H 1 7.775 0.000 . 1 . . . . . 480 VAL H . 51724 1 167 . 1 . 1 80 80 VAL N N 15 119.443 0.000 . 1 . . . . . 480 VAL N . 51724 1 168 . 1 . 1 81 81 GLU H H 1 8.493 0.011 . 1 . . . . . 481 GLU H . 51724 1 169 . 1 . 1 81 81 GLU N N 15 122.825 0.015 . 1 . . . . . 481 GLU N . 51724 1 170 . 1 . 1 82 82 LYS H H 1 8.778 0.002 . 1 . . . . . 482 LYS H . 51724 1 171 . 1 . 1 82 82 LYS N N 15 121.377 0.004 . 1 . . . . . 482 LYS N . 51724 1 172 . 1 . 1 83 83 ALA H H 1 8.111 0.006 . 1 . . . . . 483 ALA H . 51724 1 173 . 1 . 1 83 83 ALA N N 15 126.263 0.020 . 1 . . . . . 483 ALA N . 51724 1 174 . 1 . 1 84 84 LYS H H 1 7.953 0.026 . 1 . . . . . 484 LYS H . 51724 1 175 . 1 . 1 84 84 LYS N N 15 121.092 0.200 . 1 . . . . . 484 LYS N . 51724 1 176 . 1 . 1 85 85 ASN H H 1 7.835 0.001 . 1 . . . . . 485 ASN H . 51724 1 177 . 1 . 1 85 85 ASN HD21 H 1 6.618 0.000 . 1 . . . . . 485 ASN HD21 . 51724 1 178 . 1 . 1 85 85 ASN HD22 H 1 7.397 0.000 . 1 . . . . . 485 ASN HD22 . 51724 1 179 . 1 . 1 85 85 ASN N N 15 123.420 0.025 . 1 . . . . . 485 ASN N . 51724 1 180 . 1 . 1 85 85 ASN ND2 N 15 112.595 0.002 . 1 . . . . . 485 ASN ND2 . 51724 1 stop_ save_