################################### # 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 27702 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27702 1 2 '3D HNCACB' . . . 27702 1 3 '3D CBCA(CO)NH' . . . 27702 1 4 (H)N(CA)NNH . . . 27702 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 $CCPNMR . . 27702 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 2 2 SER H H 1 8.777 0.003 . 1 . . . . . 352 SER H . 27702 1 2 . 1 1 2 2 SER CA C 13 58.61268 0.6 . 1 . . . . . 352 SER CA . 27702 1 3 . 1 1 2 2 SER CB C 13 64.2336 0.6 . 1 . . . . . 352 SER CB . 27702 1 4 . 1 1 2 2 SER N N 15 116.093 0.13 . 1 . . . . . 352 SER N . 27702 1 5 . 1 1 3 3 ASN H H 1 8.758 0.006 . 1 . . . . . 353 ASN H . 27702 1 6 . 1 1 3 3 ASN CA C 13 53.5106 0.6 . 1 . . . . . 353 ASN CA . 27702 1 7 . 1 1 3 3 ASN CB C 13 39.00547 0.6 . 1 . . . . . 353 ASN CB . 27702 1 8 . 1 1 3 3 ASN N N 15 121.934 0.09 . 1 . . . . . 353 ASN N . 27702 1 9 . 1 1 4 4 VAL H H 1 8.167 0.006 . 1 . . . . . 354 VAL H . 27702 1 10 . 1 1 4 4 VAL CA C 13 62.77979 0.6 . 1 . . . . . 354 VAL CA . 27702 1 11 . 1 1 4 4 VAL CB C 13 32.90486 0.6 . 1 . . . . . 354 VAL CB . 27702 1 12 . 1 1 4 4 VAL N N 15 120.922 0.05 . 1 . . . . . 354 VAL N . 27702 1 13 . 1 1 5 5 LYS H H 1 8.496 0.006 . 1 . . . . . 355 LYS H . 27702 1 14 . 1 1 5 5 LYS CA C 13 56.61515 0.6 . 1 . . . . . 355 LYS CA . 27702 1 15 . 1 1 5 5 LYS CB C 13 33.05358 0.6 . 1 . . . . . 355 LYS CB . 27702 1 16 . 1 1 5 5 LYS N N 15 126.257 0.1 . 1 . . . . . 355 LYS N . 27702 1 17 . 1 1 6 6 ARG H H 1 8.475 0.007 . 1 . . . . . 356 ARG H . 27702 1 18 . 1 1 6 6 ARG CA C 13 56.41132 0.6 . 1 . . . . . 356 ARG CA . 27702 1 19 . 1 1 6 6 ARG CB C 13 31.10815 0.6 . 1 . . . . . 356 ARG CB . 27702 1 20 . 1 1 6 6 ARG N N 15 123.783 0.13 . 1 . . . . . 356 ARG N . 27702 1 21 . 1 1 7 7 ARG H H 1 8.589 0.004 . 1 . . . . . 357 ARG H . 27702 1 22 . 1 1 7 7 ARG CA C 13 56.3567 0.6 . 1 . . . . . 357 ARG CA . 27702 1 23 . 1 1 7 7 ARG CB C 13 31.07316 0.6 . 1 . . . . . 357 ARG CB . 27702 1 24 . 1 1 7 7 ARG N N 15 123.719 0.08 . 1 . . . . . 357 ARG N . 27702 1 25 . 1 1 8 8 THR H H 1 8.306 0.005 . 1 . . . . . 358 THR H . 27702 1 26 . 1 1 8 8 THR CA C 13 61.91845 0.6 . 1 . . . . . 358 THR CA . 27702 1 27 . 1 1 8 8 THR CB C 13 70.17557 0.6 . 1 . . . . . 358 THR CB . 27702 1 28 . 1 1 8 8 THR N N 15 115.689 0.05 . 1 . . . . . 358 THR N . 27702 1 29 . 1 1 9 9 HIS H H 1 8.623 0.053 . 1 . . . . . 359 HIS H . 27702 1 30 . 1 1 9 9 HIS CA C 13 55.76827 0.6 . 1 . . . . . 359 HIS CA . 27702 1 31 . 1 1 9 9 HIS CB C 13 29.70486 0.6 . 1 . . . . . 359 HIS CB . 27702 1 32 . 1 1 9 9 HIS N N 15 120.971 0.31 . 1 . . . . . 359 HIS N . 27702 1 33 . 1 1 10 10 ASN H H 1 8.666 0.029 . 1 . . . . . 360 ASN H . 27702 1 34 . 1 1 10 10 ASN CA C 13 53.51688 0.6 . 1 . . . . . 360 ASN CA . 27702 1 35 . 1 1 10 10 ASN CB C 13 39.09435 0.6 . 1 . . . . . 360 ASN CB . 27702 1 36 . 1 1 10 10 ASN N N 15 121.229 0.15 . 1 . . . . . 360 ASN N . 27702 1 37 . 1 1 11 11 VAL H H 1 8.304 0.007 . 1 . . . . . 361 VAL H . 27702 1 38 . 1 1 11 11 VAL CA C 13 63.05628 0.6 . 1 . . . . . 361 VAL CA . 27702 1 39 . 1 1 11 11 VAL CB C 13 32.80463 0.6 . 1 . . . . . 361 VAL CB . 27702 1 40 . 1 1 11 11 VAL N N 15 121.421 0.08 . 1 . . . . . 361 VAL N . 27702 1 41 . 1 1 12 12 LEU H H 1 8.397 0.009 . 1 . . . . . 362 LEU H . 27702 1 42 . 1 1 12 12 LEU CA C 13 55.66291 0.6 . 1 . . . . . 362 LEU CA . 27702 1 43 . 1 1 12 12 LEU CB C 13 42.33093 0.6 . 1 . . . . . 362 LEU CB . 27702 1 44 . 1 1 12 12 LEU N N 15 125.777 0.23 . 1 . . . . . 362 LEU N . 27702 1 45 . 1 1 13 13 GLU H H 1 8.451 0.003 . 1 . . . . . 363 GLU H . 27702 1 46 . 1 1 13 13 GLU CA C 13 57.13067 0.6 . 1 . . . . . 363 GLU CA . 27702 1 47 . 1 1 13 13 GLU CB C 13 30.49403 0.6 . 1 . . . . . 363 GLU CB . 27702 1 48 . 1 1 13 13 GLU N N 15 122.49 0.17 . 1 . . . . . 363 GLU N . 27702 1 49 . 1 1 14 14 ARG H H 1 8.441 0.012 . 1 . . . . . 364 ARG H . 27702 1 50 . 1 1 14 14 ARG CA C 13 57.07139 0.6 . 1 . . . . . 364 ARG CA . 27702 1 51 . 1 1 14 14 ARG CB C 13 30.65938 0.6 . 1 . . . . . 364 ARG CB . 27702 1 52 . 1 1 14 14 ARG N N 15 122.491 0.17 . 1 . . . . . 364 ARG N . 27702 1 53 . 1 1 15 15 GLN H H 1 8.524 0.006 . 1 . . . . . 365 GLN H . 27702 1 54 . 1 1 15 15 GLN CA C 13 56.53673 0.6 . 1 . . . . . 365 GLN CA . 27702 1 55 . 1 1 15 15 GLN CB C 13 29.66293 0.6 . 1 . . . . . 365 GLN CB . 27702 1 56 . 1 1 15 15 GLN N N 15 122.036 0.18 . 1 . . . . . 365 GLN N . 27702 1 57 . 1 1 16 16 ARG H H 1 8.519 0.007 . 1 . . . . . 366 ARG H . 27702 1 58 . 1 1 16 16 ARG CA C 13 56.67995 0.6 . 1 . . . . . 366 ARG CA . 27702 1 59 . 1 1 16 16 ARG CB C 13 30.83207 0.6 . 1 . . . . . 366 ARG CB . 27702 1 60 . 1 1 16 16 ARG N N 15 123.223 0.19 . 1 . . . . . 366 ARG N . 27702 1 61 . 1 1 17 17 ARG H H 1 8.525 0.004 . 1 . . . . . 367 ARG H . 27702 1 62 . 1 1 17 17 ARG CA C 13 56.98828 0.6 . 1 . . . . . 367 ARG CA . 27702 1 63 . 1 1 17 17 ARG CB C 13 30.66223 0.6 . 1 . . . . . 367 ARG CB . 27702 1 64 . 1 1 17 17 ARG N N 15 122.567 0.2 . 1 . . . . . 367 ARG N . 27702 1 65 . 1 1 18 18 ASN H H 1 8.561 0.003 . 1 . . . . . 368 ASN H . 27702 1 66 . 1 1 18 18 ASN CA C 13 53.57647 0.6 . 1 . . . . . 368 ASN CA . 27702 1 67 . 1 1 18 18 ASN CB C 13 38.96954 0.6 . 1 . . . . . 368 ASN CB . 27702 1 68 . 1 1 18 18 ASN N N 15 120.123 0.15 . 1 . . . . . 368 ASN N . 27702 1 69 . 1 1 19 19 GLU H H 1 8.465 0.002 . 1 . . . . . 369 GLU H . 27702 1 70 . 1 1 19 19 GLU CA C 13 56.98868 0.6 . 1 . . . . . 369 GLU CA . 27702 1 71 . 1 1 19 19 GLU CB C 13 30.38129 0.6 . 1 . . . . . 369 GLU CB . 27702 1 72 . 1 1 19 19 GLU N N 15 121.728 0.16 . 1 . . . . . 369 GLU N . 27702 1 73 . 1 1 20 20 LEU H H 1 8.325 0.012 . 1 . . . . . 370 LEU H . 27702 1 74 . 1 1 20 20 LEU CA C 13 55.66116 0.6 . 1 . . . . . 370 LEU CA . 27702 1 75 . 1 1 20 20 LEU CB C 13 42.39209 0.6 . 1 . . . . . 370 LEU CB . 27702 1 76 . 1 1 20 20 LEU N N 15 123.307 0.18 . 1 . . . . . 370 LEU N . 27702 1 77 . 1 1 21 21 LYS H H 1 8.36 0.012 . 1 . . . . . 371 LYS H . 27702 1 78 . 1 1 21 21 LYS CA C 13 56.77642 0.6 . 1 . . . . . 371 LYS CA . 27702 1 79 . 1 1 21 21 LYS CB C 13 33.13632 0.6 . 1 . . . . . 371 LYS CB . 27702 1 80 . 1 1 21 21 LYS N N 15 122.959 0.2 . 1 . . . . . 371 LYS N . 27702 1 81 . 1 1 22 22 ARG H H 1 8.441 0.006 . 1 . . . . . 372 ARG H . 27702 1 82 . 1 1 22 22 ARG CA C 13 56.61216 0.6 . 1 . . . . . 372 ARG CA . 27702 1 83 . 1 1 22 22 ARG CB C 13 30.98728 0.6 . 1 . . . . . 372 ARG CB . 27702 1 84 . 1 1 22 22 ARG N N 15 122.925 0.16 . 1 . . . . . 372 ARG N . 27702 1 85 . 1 1 23 23 SER H H 1 8.406 0.004 . 1 . . . . . 373 SER H . 27702 1 86 . 1 1 23 23 SER CA C 13 58.6563 0.6 . 1 . . . . . 373 SER CA . 27702 1 87 . 1 1 23 23 SER CB C 13 64.0966 0.6 . 1 . . . . . 373 SER CB . 27702 1 88 . 1 1 23 23 SER N N 15 117.536 0.16 . 1 . . . . . 373 SER N . 27702 1 89 . 1 1 24 24 PHE H H 1 8.37 0.012 . 1 . . . . . 374 PHE H . 27702 1 90 . 1 1 24 24 PHE CA C 13 58.78345 0.6 . 1 . . . . . 374 PHE CA . 27702 1 91 . 1 1 24 24 PHE CB C 13 39.95716 0.6 . 1 . . . . . 374 PHE CB . 27702 1 92 . 1 1 24 24 PHE N N 15 123.184 0.19 . 1 . . . . . 374 PHE N . 27702 1 93 . 1 1 25 25 PHE H H 1 8.173 0.001 . 1 . . . . . 375 PHE H . 27702 1 94 . 1 1 25 25 PHE CA C 13 57.97923 0.6 . 1 . . . . . 375 PHE CA . 27702 1 95 . 1 1 25 25 PHE CB C 13 39.92747 0.6 . 1 . . . . . 375 PHE CB . 27702 1 96 . 1 1 25 25 PHE N N 15 121.551 0.11 . 1 . . . . . 375 PHE N . 27702 1 97 . 1 1 26 26 ALA H H 1 8.264 0.007 . 1 . . . . . 376 ALA H . 27702 1 98 . 1 1 26 26 ALA CA C 13 52.72194 0.6 . 1 . . . . . 376 ALA CA . 27702 1 99 . 1 1 26 26 ALA CB C 13 19.64179 0.6 . 1 . . . . . 376 ALA CB . 27702 1 100 . 1 1 26 26 ALA N N 15 125.682 0.12 . 1 . . . . . 376 ALA N . 27702 1 101 . 1 1 27 27 LEU H H 1 8.267 0.004 . 1 . . . . . 377 LEU H . 27702 1 102 . 1 1 27 27 LEU CA C 13 55.86101 0.6 . 1 . . . . . 377 LEU CA . 27702 1 103 . 1 1 27 27 LEU CB C 13 42.33272 0.6 . 1 . . . . . 377 LEU CB . 27702 1 104 . 1 1 27 27 LEU N N 15 122.03 0.17 . 1 . . . . . 377 LEU N . 27702 1 105 . 1 1 28 28 ARG H H 1 8.354 0.009 . 1 . . . . . 378 ARG H . 27702 1 106 . 1 1 28 28 ARG CA C 13 56.361 0.6 . 1 . . . . . 378 ARG CA . 27702 1 107 . 1 1 28 28 ARG CB C 13 31.02877 0.6 . 1 . . . . . 378 ARG CB . 27702 1 108 . 1 1 28 28 ARG N N 15 121.419 0.14 . 1 . . . . . 378 ARG N . 27702 1 109 . 1 1 29 29 ASP H H 1 8.424 0.006 . 1 . . . . . 379 ASP H . 27702 1 110 . 1 1 29 29 ASP CA C 13 54.68757 0.6 . 1 . . . . . 379 ASP CA . 27702 1 111 . 1 1 29 29 ASP CB C 13 41.26657 0.6 . 1 . . . . . 379 ASP CB . 27702 1 112 . 1 1 29 29 ASP N N 15 121.316 0.17 . 1 . . . . . 379 ASP N . 27702 1 113 . 1 1 30 30 GLN H H 1 8.326 0.01 . 1 . . . . . 380 GLN H . 27702 1 114 . 1 1 30 30 GLN CA C 13 55.95031 0.6 . 1 . . . . . 380 GLN CA . 27702 1 115 . 1 1 30 30 GLN CB C 13 29.87618 0.6 . 1 . . . . . 380 GLN CB . 27702 1 116 . 1 1 30 30 GLN N N 15 120.592 0.14 . 1 . . . . . 380 GLN N . 27702 1 117 . 1 1 31 31 ILE H H 1 8.375 0.006 . 1 . . . . . 381 ILE H . 27702 1 118 . 1 1 31 31 ILE CA C 13 59.12615 0.6 . 1 . . . . . 381 ILE CA . 27702 1 119 . 1 1 31 31 ILE CB C 13 38.48972 0.6 . 1 . . . . . 381 ILE CB . 27702 1 120 . 1 1 31 31 ILE N N 15 124.403 0.03 . 1 . . . . . 381 ILE N . 27702 1 121 . 1 1 33 33 GLU H H 1 8.645 0.005 . 1 . . . . . 383 GLU H . 27702 1 122 . 1 1 33 33 GLU CA C 13 57.03788 0.6 . 1 . . . . . 383 GLU CA . 27702 1 123 . 1 1 33 33 GLU CB C 13 30.30511 0.6 . 1 . . . . . 383 GLU CB . 27702 1 124 . 1 1 33 33 GLU N N 15 122.065 0.13 . 1 . . . . . 383 GLU N . 27702 1 125 . 1 1 34 34 LEU H H 1 8.401 0.004 . 1 . . . . . 384 LEU H . 27702 1 126 . 1 1 34 34 LEU CA C 13 55.53725 0.6 . 1 . . . . . 384 LEU CA . 27702 1 127 . 1 1 34 34 LEU CB C 13 42.42494 0.6 . 1 . . . . . 384 LEU CB . 27702 1 128 . 1 1 34 34 LEU N N 15 123.486 0.1 . 1 . . . . . 384 LEU N . 27702 1 129 . 1 1 35 35 GLU H H 1 8.562 0 . 1 . . . . . 385 GLU H . 27702 1 130 . 1 1 35 35 GLU CA C 13 56.67177 0.6 . 1 . . . . . 385 GLU CA . 27702 1 131 . 1 1 35 35 GLU CB C 13 30.44687 0.6 . 1 . . . . . 385 GLU CB . 27702 1 132 . 1 1 35 35 GLU N N 15 122.06 0.09 . 1 . . . . . 385 GLU N . 27702 1 133 . 1 1 36 36 ASN H H 1 8.608 0.004 . 1 . . . . . 386 ASN H . 27702 1 134 . 1 1 36 36 ASN CA C 13 53.53538 0.6 . 1 . . . . . 386 ASN CA . 27702 1 135 . 1 1 36 36 ASN CB C 13 39.02824 0.6 . 1 . . . . . 386 ASN CB . 27702 1 136 . 1 1 36 36 ASN N N 15 120.248 0.09 . 1 . . . . . 386 ASN N . 27702 1 137 . 1 1 37 37 ASN H H 1 8.59 0.006 . 1 . . . . . 387 ASN H . 27702 1 138 . 1 1 37 37 ASN CA C 13 53.47657 0.6 . 1 . . . . . 387 ASN CA . 27702 1 139 . 1 1 37 37 ASN CB C 13 39.10052 0.6 . 1 . . . . . 387 ASN CB . 27702 1 140 . 1 1 37 37 ASN N N 15 120.027 0.08 . 1 . . . . . 387 ASN N . 27702 1 141 . 1 1 38 38 GLU H H 1 8.435 0.001 . 1 . . . . . 388 GLU H . 27702 1 142 . 1 1 38 38 GLU CA C 13 56.87219 0.6 . 1 . . . . . 388 GLU CA . 27702 1 143 . 1 1 38 38 GLU CB C 13 30.37558 0.6 . 1 . . . . . 388 GLU CB . 27702 1 144 . 1 1 38 38 GLU N N 15 121.455 0.11 . 1 . . . . . 388 GLU N . 27702 1 145 . 1 1 39 39 LYS H H 1 8.407 0.003 . 1 . . . . . 389 LYS H . 27702 1 146 . 1 1 39 39 LYS CA C 13 56.498 0.6 . 1 . . . . . 389 LYS CA . 27702 1 147 . 1 1 39 39 LYS CB C 13 33.26631 0.6 . 1 . . . . . 389 LYS CB . 27702 1 148 . 1 1 39 39 LYS N N 15 122.701 0.1 . 1 . . . . . 389 LYS N . 27702 1 149 . 1 1 40 40 ALA H H 1 8.449 0.002 . 1 . . . . . 390 ALA H . 27702 1 150 . 1 1 40 40 ALA CA C 13 50.8304 0.6 . 1 . . . . . 390 ALA CA . 27702 1 151 . 1 1 40 40 ALA CB C 13 18.16318 0.6 . 1 . . . . . 390 ALA CB . 27702 1 152 . 1 1 40 40 ALA N N 15 127.09 0.09 . 1 . . . . . 390 ALA N . 27702 1 153 . 1 1 42 42 LYS H H 1 8.553 0.001 . 1 . . . . . 392 LYS H . 27702 1 154 . 1 1 42 42 LYS CA C 13 56.72266 0.6 . 1 . . . . . 392 LYS CA . 27702 1 155 . 1 1 42 42 LYS CB C 13 33.09587 0.6 . 1 . . . . . 392 LYS CB . 27702 1 156 . 1 1 42 42 LYS N N 15 123.155 0.14 . 1 . . . . . 392 LYS N . 27702 1 157 . 1 1 43 43 VAL H H 1 8.324 0.007 . 1 . . . . . 393 VAL H . 27702 1 158 . 1 1 43 43 VAL CA C 13 62.7087 0.6 . 1 . . . . . 393 VAL CA . 27702 1 159 . 1 1 43 43 VAL CB C 13 33.08337 0.6 . 1 . . . . . 393 VAL CB . 27702 1 160 . 1 1 43 43 VAL N N 15 123.352 0.03 . 1 . . . . . 393 VAL N . 27702 1 161 . 1 1 44 44 VAL H H 1 8.396 0.016 . 1 . . . . . 394 VAL H . 27702 1 162 . 1 1 44 44 VAL CA C 13 62.54173 0.6 . 1 . . . . . 394 VAL CA . 27702 1 163 . 1 1 44 44 VAL CB C 13 32.97514 0.6 . 1 . . . . . 394 VAL CB . 27702 1 164 . 1 1 44 44 VAL N N 15 126.61 0.03 . 1 . . . . . 394 VAL N . 27702 1 165 . 1 1 45 45 ILE H H 1 8.442 0.011 . 1 . . . . . 395 ILE H . 27702 1 166 . 1 1 45 45 ILE CA C 13 61.05911 0.6 . 1 . . . . . 395 ILE CA . 27702 1 167 . 1 1 45 45 ILE CB C 13 38.62581 0.6 . 1 . . . . . 395 ILE CB . 27702 1 168 . 1 1 45 45 ILE N N 15 127.455 0.04 . 1 . . . . . 395 ILE N . 27702 1 169 . 1 1 46 46 LEU H H 1 8.496 0.008 . 1 . . . . . 396 LEU H . 27702 1 170 . 1 1 46 46 LEU CA C 13 54.93958 0.6 . 1 . . . . . 396 LEU CA . 27702 1 171 . 1 1 46 46 LEU CB C 13 42.41396 0.6 . 1 . . . . . 396 LEU CB . 27702 1 172 . 1 1 46 46 LEU N N 15 128.452 0.08 . 1 . . . . . 396 LEU N . 27702 1 173 . 1 1 47 47 LYS H H 1 8.439 0.005 . 1 . . . . . 397 LYS H . 27702 1 174 . 1 1 47 47 LYS CA C 13 56.5889 0.6 . 1 . . . . . 397 LYS CA . 27702 1 175 . 1 1 47 47 LYS CB C 13 33.2165 0.6 . 1 . . . . . 397 LYS CB . 27702 1 176 . 1 1 47 47 LYS N N 15 123.813 0.07 . 1 . . . . . 397 LYS N . 27702 1 177 . 1 1 48 48 LYS H H 1 8.475 0.007 . 1 . . . . . 398 LYS H . 27702 1 178 . 1 1 48 48 LYS CA C 13 56.65123 0.6 . 1 . . . . . 398 LYS CA . 27702 1 179 . 1 1 48 48 LYS CB C 13 33.22508 0.6 . 1 . . . . . 398 LYS CB . 27702 1 180 . 1 1 48 48 LYS N N 15 123.869 0.05 . 1 . . . . . 398 LYS N . 27702 1 181 . 1 1 49 49 ALA H H 1 8.556 0.004 . 1 . . . . . 399 ALA H . 27702 1 182 . 1 1 49 49 ALA CA C 13 53.06643 0.6 . 1 . . . . . 399 ALA CA . 27702 1 183 . 1 1 49 49 ALA CB C 13 19.53743 0.6 . 1 . . . . . 399 ALA CB . 27702 1 184 . 1 1 49 49 ALA N N 15 126.292 0.09 . 1 . . . . . 399 ALA N . 27702 1 185 . 1 1 50 50 THR H H 1 8.137 0.002 . 1 . . . . . 400 THR H . 27702 1 186 . 1 1 50 50 THR CA C 13 62.04184 0.6 . 1 . . . . . 400 THR CA . 27702 1 187 . 1 1 50 50 THR CB C 13 70.15633 0.6 . 1 . . . . . 400 THR CB . 27702 1 188 . 1 1 50 50 THR N N 15 114.043 0.06 . 1 . . . . . 400 THR N . 27702 1 189 . 1 1 51 51 ALA H H 1 8.401 0.004 . 1 . . . . . 401 ALA H . 27702 1 190 . 1 1 51 51 ALA CA C 13 53.06711 0.6 . 1 . . . . . 401 ALA CA . 27702 1 191 . 1 1 51 51 ALA CB C 13 19.40593 0.6 . 1 . . . . . 401 ALA CB . 27702 1 192 . 1 1 51 51 ALA N N 15 126.457 0.1 . 1 . . . . . 401 ALA N . 27702 1 193 . 1 1 52 52 TYR H H 1 8.227 0.006 . 1 . . . . . 402 TYR H . 27702 1 194 . 1 1 52 52 TYR CA C 13 58.71752 0.6 . 1 . . . . . 402 TYR CA . 27702 1 195 . 1 1 52 52 TYR CB C 13 38.9742 0.6 . 1 . . . . . 402 TYR CB . 27702 1 196 . 1 1 52 52 TYR N N 15 120.507 0.11 . 1 . . . . . 402 TYR N . 27702 1 197 . 1 1 53 53 ILE H H 1 8.121 0.005 . 1 . . . . . 403 ILE H . 27702 1 198 . 1 1 53 53 ILE CA C 13 61.59892 0.6 . 1 . . . . . 403 ILE CA . 27702 1 199 . 1 1 53 53 ILE CB C 13 38.85117 0.6 . 1 . . . . . 403 ILE CB . 27702 1 200 . 1 1 53 53 ILE N N 15 123.507 0.08 . 1 . . . . . 403 ILE N . 27702 1 201 . 1 1 54 54 LEU H H 1 8.324 0.002 . 1 . . . . . 404 LEU H . 27702 1 202 . 1 1 54 54 LEU CA C 13 55.80895 0.6 . 1 . . . . . 404 LEU CA . 27702 1 203 . 1 1 54 54 LEU CB C 13 42.2552 0.6 . 1 . . . . . 404 LEU CB . 27702 1 204 . 1 1 54 54 LEU N N 15 126.169 0.17 . 1 . . . . . 404 LEU N . 27702 1 205 . 1 1 55 55 SER H H 1 8.358 0.002 . 1 . . . . . 405 SER H . 27702 1 206 . 1 1 55 55 SER CA C 13 58.79095 0.6 . 1 . . . . . 405 SER CA . 27702 1 207 . 1 1 55 55 SER CB C 13 64.17751 0.6 . 1 . . . . . 405 SER CB . 27702 1 208 . 1 1 55 55 SER N N 15 117.93 0.11 . 1 . . . . . 405 SER N . 27702 1 209 . 1 1 56 56 VAL H H 1 8.259 0.001 . 1 . . . . . 406 VAL H . 27702 1 210 . 1 1 56 56 VAL CA C 13 63.10169 0.6 . 1 . . . . . 406 VAL CA . 27702 1 211 . 1 1 56 56 VAL CB C 13 32.7306 0.6 . 1 . . . . . 406 VAL CB . 27702 1 212 . 1 1 56 56 VAL N N 15 122.371 0.03 . 1 . . . . . 406 VAL N . 27702 1 213 . 1 1 57 57 GLN H H 1 8.464 0.004 . 1 . . . . . 407 GLN H . 27702 1 214 . 1 1 57 57 GLN CA C 13 56.5992 0.6 . 1 . . . . . 407 GLN CA . 27702 1 215 . 1 1 57 57 GLN CB C 13 29.4977 0.6 . 1 . . . . . 407 GLN CB . 27702 1 216 . 1 1 57 57 GLN N N 15 123.387 0.13 . 1 . . . . . 407 GLN N . 27702 1 217 . 1 1 58 58 ALA H H 1 8.374 0.005 . 1 . . . . . 408 ALA H . 27702 1 218 . 1 1 58 58 ALA CA C 13 53.26022 0.6 . 1 . . . . . 408 ALA CA . 27702 1 219 . 1 1 58 58 ALA CB C 13 19.42113 0.6 . 1 . . . . . 408 ALA CB . 27702 1 220 . 1 1 58 58 ALA N N 15 125.224 0.11 . 1 . . . . . 408 ALA N . 27702 1 221 . 1 1 59 59 GLU H H 1 8.448 0 . 1 . . . . . 409 GLU H . 27702 1 222 . 1 1 59 59 GLU CA C 13 57.22926 0.6 . 1 . . . . . 409 GLU CA . 27702 1 223 . 1 1 59 59 GLU CB C 13 30.35392 0.6 . 1 . . . . . 409 GLU CB . 27702 1 224 . 1 1 59 59 GLU N N 15 120.408 0.1 . 1 . . . . . 409 GLU N . 27702 1 225 . 1 1 60 60 GLU H H 1 8.473 0 . 1 . . . . . 410 GLU H . 27702 1 226 . 1 1 60 60 GLU CA C 13 56.99646 0.6 . 1 . . . . . 410 GLU CA . 27702 1 227 . 1 1 60 60 GLU CB C 13 30.33592 0.6 . 1 . . . . . 410 GLU CB . 27702 1 228 . 1 1 60 60 GLU N N 15 121.72 0.12 . 1 . . . . . 410 GLU N . 27702 1 229 . 1 1 61 61 GLN H H 1 8.439 0.007 . 1 . . . . . 411 GLN H . 27702 1 230 . 1 1 61 61 GLN CA C 13 56.4155 0.6 . 1 . . . . . 411 GLN CA . 27702 1 231 . 1 1 61 61 GLN CB C 13 29.69188 0.6 . 1 . . . . . 411 GLN CB . 27702 1 232 . 1 1 61 61 GLN N N 15 121.433 0.18 . 1 . . . . . 411 GLN N . 27702 1 233 . 1 1 62 62 LYS H H 1 8.375 0.01 . 1 . . . . . 412 LYS H . 27702 1 234 . 1 1 62 62 LYS CA C 13 56.92808 0.6 . 1 . . . . . 412 LYS CA . 27702 1 235 . 1 1 62 62 LYS CB C 13 33.08807 0.6 . 1 . . . . . 412 LYS CB . 27702 1 236 . 1 1 62 62 LYS N N 15 123.185 0.14 . 1 . . . . . 412 LYS N . 27702 1 237 . 1 1 63 63 LEU H H 1 8.353 0.01 . 1 . . . . . 413 LEU H . 27702 1 238 . 1 1 63 63 LEU CA C 13 56.07806 0.6 . 1 . . . . . 413 LEU CA . 27702 1 239 . 1 1 63 63 LEU CB C 13 42.33276 0.6 . 1 . . . . . 413 LEU CB . 27702 1 240 . 1 1 63 63 LEU N N 15 123.914 0.23 . 1 . . . . . 413 LEU N . 27702 1 241 . 1 1 64 64 ILE H H 1 8.278 0.009 . 1 . . . . . 414 ILE H . 27702 1 242 . 1 1 64 64 ILE CA C 13 61.69618 0.6 . 1 . . . . . 414 ILE CA . 27702 1 243 . 1 1 64 64 ILE CB C 13 38.84819 0.6 . 1 . . . . . 414 ILE CB . 27702 1 244 . 1 1 64 64 ILE N N 15 122.912 0.15 . 1 . . . . . 414 ILE N . 27702 1 245 . 1 1 65 65 SER H H 1 8.662 0.022 . 1 . . . . . 415 SER H . 27702 1 246 . 1 1 65 65 SER CA C 13 58.76112 0.6 . 1 . . . . . 415 SER CA . 27702 1 247 . 1 1 65 65 SER CB C 13 64.36399 0.6 . 1 . . . . . 415 SER CB . 27702 1 248 . 1 1 65 65 SER N N 15 120.849 0.08 . 1 . . . . . 415 SER N . 27702 1 249 . 1 1 66 66 GLU H H 1 8.678 0.009 . 1 . . . . . 416 GLU H . 27702 1 250 . 1 1 66 66 GLU CA C 13 58.24913 0.6 . 1 . . . . . 416 GLU CA . 27702 1 251 . 1 1 66 66 GLU CB C 13 29.91698 0.6 . 1 . . . . . 416 GLU CB . 27702 1 252 . 1 1 66 66 GLU N N 15 123.414 0.15 . 1 . . . . . 416 GLU N . 27702 1 253 . 1 1 67 67 GLU H H 1 8.502 0.012 . 1 . . . . . 417 GLU H . 27702 1 254 . 1 1 67 67 GLU CA C 13 57.89394 0.6 . 1 . . . . . 417 GLU CA . 27702 1 255 . 1 1 67 67 GLU CB C 13 29.93013 0.6 . 1 . . . . . 417 GLU CB . 27702 1 256 . 1 1 67 67 GLU N N 15 120.162 0.11 . 1 . . . . . 417 GLU N . 27702 1 257 . 1 1 68 68 ASP H H 1 8.3 0.011 . 1 . . . . . 418 ASP H . 27702 1 258 . 1 1 68 68 ASP CA C 13 55.68084 0.6 . 1 . . . . . 418 ASP CA . 27702 1 259 . 1 1 68 68 ASP CB C 13 40.92886 0.6 . 1 . . . . . 418 ASP CB . 27702 1 260 . 1 1 68 68 ASP N N 15 121.055 0.1 . 1 . . . . . 418 ASP N . 27702 1 261 . 1 1 69 69 LEU H H 1 8.121 0.004 . 1 . . . . . 419 LEU H . 27702 1 262 . 1 1 69 69 LEU CA C 13 56.29711 0.6 . 1 . . . . . 419 LEU CA . 27702 1 263 . 1 1 69 69 LEU CB C 13 42.22705 0.6 . 1 . . . . . 419 LEU CB . 27702 1 264 . 1 1 69 69 LEU N N 15 122.359 0.09 . 1 . . . . . 419 LEU N . 27702 1 265 . 1 1 70 70 LEU H H 1 8.179 0.015 . 1 . . . . . 420 LEU H . 27702 1 266 . 1 1 70 70 LEU CA C 13 56.26689 0.6 . 1 . . . . . 420 LEU CA . 27702 1 267 . 1 1 70 70 LEU CB C 13 42.13792 0.6 . 1 . . . . . 420 LEU CB . 27702 1 268 . 1 1 70 70 LEU N N 15 121.592 0.33 . 1 . . . . . 420 LEU N . 27702 1 269 . 1 1 71 71 ARG H H 1 8.143 0.029 . 1 . . . . . 421 ARG H . 27702 1 270 . 1 1 71 71 ARG CA C 13 57.42452 0.6 . 1 . . . . . 421 ARG CA . 27702 1 271 . 1 1 71 71 ARG CB C 13 30.69691 0.6 . 1 . . . . . 421 ARG CB . 27702 1 272 . 1 1 71 71 ARG N N 15 121.427 0.31 . 1 . . . . . 421 ARG N . 27702 1 273 . 1 1 72 72 LYS H H 1 8.304 0.028 . 1 . . . . . 422 LYS H . 27702 1 274 . 1 1 72 72 LYS CA C 13 57.44625 0.6 . 1 . . . . . 422 LYS CA . 27702 1 275 . 1 1 72 72 LYS CB C 13 32.9763 0.6 . 1 . . . . . 422 LYS CB . 27702 1 276 . 1 1 72 72 LYS N N 15 122.307 0.37 . 1 . . . . . 422 LYS N . 27702 1 277 . 1 1 73 73 ARG H H 1 8.393 0.025 . 1 . . . . . 423 ARG H . 27702 1 278 . 1 1 73 73 ARG CA C 13 57.16506 0.6 . 1 . . . . . 423 ARG CA . 27702 1 279 . 1 1 73 73 ARG CB C 13 30.69937 0.6 . 1 . . . . . 423 ARG CB . 27702 1 280 . 1 1 73 73 ARG N N 15 122.266 0.35 . 1 . . . . . 423 ARG N . 27702 1 281 . 1 1 74 74 ARG H H 1 8.435 0.023 . 1 . . . . . 424 ARG H . 27702 1 282 . 1 1 74 74 ARG CA C 13 57.06294 0.6 . 1 . . . . . 424 ARG CA . 27702 1 283 . 1 1 74 74 ARG CB C 13 30.68732 0.6 . 1 . . . . . 424 ARG CB . 27702 1 284 . 1 1 74 74 ARG N N 15 122.325 0.35 . 1 . . . . . 424 ARG N . 27702 1 285 . 1 1 75 75 GLU H H 1 8.495 0.02 . 1 . . . . . 425 GLU H . 27702 1 286 . 1 1 75 75 GLU CA C 13 57.50474 0.6 . 1 . . . . . 425 GLU CA . 27702 1 287 . 1 1 75 75 GLU CB C 13 30.22705 0.6 . 1 . . . . . 425 GLU CB . 27702 1 288 . 1 1 75 75 GLU N N 15 122.161 0.31 . 1 . . . . . 425 GLU N . 27702 1 289 . 1 1 76 76 GLN H H 1 8.47 0.026 . 1 . . . . . 426 GLN H . 27702 1 290 . 1 1 76 76 GLN CA C 13 56.88784 0.6 . 1 . . . . . 426 GLN CA . 27702 1 291 . 1 1 76 76 GLN CB C 13 29.75869 0.6 . 1 . . . . . 426 GLN CB . 27702 1 292 . 1 1 76 76 GLN N N 15 121.677 0.38 . 1 . . . . . 426 GLN N . 27702 1 293 . 1 1 77 77 LEU H H 1 8.304 0.023 . 1 . . . . . 427 LEU H . 27702 1 294 . 1 1 77 77 LEU CA C 13 55.7895 0.6 . 1 . . . . . 427 LEU CA . 27702 1 295 . 1 1 77 77 LEU CB C 13 42.37865 0.6 . 1 . . . . . 427 LEU CB . 27702 1 296 . 1 1 77 77 LEU N N 15 123.645 0.31 . 1 . . . . . 427 LEU N . 27702 1 297 . 1 1 78 78 LYS H H 1 8.324 0.025 . 1 . . . . . 428 LYS H . 27702 1 298 . 1 1 78 78 LYS CA C 13 57.093 0.6 . 1 . . . . . 428 LYS CA . 27702 1 299 . 1 1 78 78 LYS CB C 13 33.11704 0.6 . 1 . . . . . 428 LYS CB . 27702 1 300 . 1 1 78 78 LYS N N 15 121.954 0.25 . 1 . . . . . 428 LYS N . 27702 1 301 . 1 1 79 79 HIS H H 1 8.473 0.074 . 1 . . . . . 429 HIS H . 27702 1 302 . 1 1 79 79 HIS CA C 13 56.12247 0.6 . 1 . . . . . 429 HIS CA . 27702 1 303 . 1 1 79 79 HIS CB C 13 29.59132 0.6 . 1 . . . . . 429 HIS CB . 27702 1 304 . 1 1 79 79 HIS N N 15 119.704 0.03 . 1 . . . . . 429 HIS N . 27702 1 305 . 1 1 80 80 LYS H H 1 8.468 0.052 . 1 . . . . . 430 LYS H . 27702 1 306 . 1 1 80 80 LYS CA C 13 57.00219 0.6 . 1 . . . . . 430 LYS CA . 27702 1 307 . 1 1 80 80 LYS CB C 13 33.1054 0.6 . 1 . . . . . 430 LYS CB . 27702 1 308 . 1 1 80 80 LYS N N 15 123.42 0.32 . 1 . . . . . 430 LYS N . 27702 1 309 . 1 1 81 81 LEU H H 1 8.471 0.006 . 1 . . . . . 431 LEU H . 27702 1 310 . 1 1 81 81 LEU CA C 13 55.78244 0.6 . 1 . . . . . 431 LEU CA . 27702 1 311 . 1 1 81 81 LEU CB C 13 42.34925 0.6 . 1 . . . . . 431 LEU CB . 27702 1 312 . 1 1 81 81 LEU N N 15 123.738 0.33 . 1 . . . . . 431 LEU N . 27702 1 313 . 1 1 82 82 GLU H H 1 8.509 0.016 . 1 . . . . . 432 GLU H . 27702 1 314 . 1 1 82 82 GLU CA C 13 56.9555 0.6 . 1 . . . . . 432 GLU CA . 27702 1 315 . 1 1 82 82 GLU CB C 13 30.36569 0.6 . 1 . . . . . 432 GLU CB . 27702 1 316 . 1 1 82 82 GLU N N 15 122.506 0.27 . 1 . . . . . 432 GLU N . 27702 1 317 . 1 1 83 83 GLN H H 1 8.479 0.014 . 1 . . . . . 433 GLN H . 27702 1 318 . 1 1 83 83 GLN CA C 13 56.45404 0.6 . 1 . . . . . 433 GLN CA . 27702 1 319 . 1 1 83 83 GLN CB C 13 29.86841 0.6 . 1 . . . . . 433 GLN CB . 27702 1 320 . 1 1 83 83 GLN N N 15 121.861 0.18 . 1 . . . . . 433 GLN N . 27702 1 321 . 1 1 84 84 LEU H H 1 8.415 0.017 . 1 . . . . . 434 LEU H . 27702 1 322 . 1 1 84 84 LEU CA C 13 55.83523 0.6 . 1 . . . . . 434 LEU CA . 27702 1 323 . 1 1 84 84 LEU CB C 13 42.32584 0.6 . 1 . . . . . 434 LEU CB . 27702 1 324 . 1 1 84 84 LEU N N 15 124.175 0.27 . 1 . . . . . 434 LEU N . 27702 1 325 . 1 1 85 85 ARG H H 1 8.457 0.014 . 1 . . . . . 435 ARG H . 27702 1 326 . 1 1 85 85 ARG CA C 13 56.50116 0.6 . 1 . . . . . 435 ARG CA . 27702 1 327 . 1 1 85 85 ARG CB C 13 30.92181 0.6 . 1 . . . . . 435 ARG CB . 27702 1 328 . 1 1 85 85 ARG N N 15 121.965 0.17 . 1 . . . . . 435 ARG N . 27702 1 329 . 1 1 86 86 ASN H H 1 8.566 0.01 . 1 . . . . . 436 ASN H . 27702 1 330 . 1 1 86 86 ASN CA C 13 53.49461 0.6 . 1 . . . . . 436 ASN CA . 27702 1 331 . 1 1 86 86 ASN CB C 13 39.27508 0.6 . 1 . . . . . 436 ASN CB . 27702 1 332 . 1 1 86 86 ASN N N 15 120.505 0.16 . 1 . . . . . 436 ASN N . 27702 1 333 . 1 1 87 87 SER H H 1 8.016 0.006 . 1 . . . . . 437 SER H . 27702 1 334 . 1 1 87 87 SER CA C 13 60.38319 0.6 . 1 . . . . . 437 SER CA . 27702 1 335 . 1 1 87 87 SER CB C 13 64.85299 0.6 . 1 . . . . . 437 SER CB . 27702 1 336 . 1 1 87 87 SER N N 15 121.616 0.1 . 1 . . . . . 437 SER N . 27702 1 stop_ save_