################################### # 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 27704 _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' . . . 27704 1 2 '3D HNCO' . . . 27704 1 4 '3D HNCACB' . . . 27704 1 5 '3D CBCA(CO)NH' . . . 27704 1 6 (H)N(CA)NNH . . . 27704 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 . . 27704 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 8.843 0.003 . 1 . . . . . 352 S H . 27704 1 2 . 1 1 2 2 SER C C 13 174.60265 0.6 . 1 . . . . . 352 S C . 27704 1 3 . 1 1 2 2 SER CA C 13 58.533 0.6 . 1 . . . . . 352 S CA . 27704 1 4 . 1 1 2 2 SER CB C 13 64.074 0.6 . 1 . . . . . 352 S CB . 27704 1 5 . 1 1 2 2 SER N N 15 115.681 0.13 . 1 . . . . . 352 S N . 27704 1 6 . 1 1 3 3 ASN H H 1 8.875 0.006 . 1 . . . . . 353 N H . 27704 1 7 . 1 1 3 3 ASN C C 13 175.44689 0.6 . 1 . . . . . 353 N C . 27704 1 8 . 1 1 3 3 ASN CA C 13 53.511 0.6 . 1 . . . . . 353 N CA . 27704 1 9 . 1 1 3 3 ASN CB C 13 38.718 0.6 . 1 . . . . . 353 N CB . 27704 1 10 . 1 1 3 3 ASN N N 15 121.815 0.09 . 1 . . . . . 353 N N . 27704 1 11 . 1 1 4 4 VAL H H 1 8.273 0.006 . 1 . . . . . 354 V H . 27704 1 12 . 1 1 4 4 VAL C C 13 176.43667 0.6 . 1 . . . . . 354 V C . 27704 1 13 . 1 1 4 4 VAL CA C 13 62.975 0.6 . 1 . . . . . 354 V CA . 27704 1 14 . 1 1 4 4 VAL CB C 13 32.64 0.6 . 1 . . . . . 354 V CB . 27704 1 15 . 1 1 4 4 VAL N N 15 121.307 0.05 . 1 . . . . . 354 V N . 27704 1 16 . 1 1 5 5 LYS H H 1 8.589 0.006 . 1 . . . . . 355 K H . 27704 1 17 . 1 1 5 5 LYS C C 13 176.75382 0.6 . 1 . . . . . 355 K C . 27704 1 18 . 1 1 5 5 LYS CA C 13 56.533 0.6 . 1 . . . . . 355 K CA . 27704 1 19 . 1 1 5 5 LYS CB C 13 32.909 0.6 . 1 . . . . . 355 K CB . 27704 1 20 . 1 1 5 5 LYS N N 15 126.201 0.1 . 1 . . . . . 355 K N . 27704 1 21 . 1 1 6 6 ARG H H 1 8.576 0.007 . 1 . . . . . 356 R H . 27704 1 22 . 1 1 6 6 ARG C C 13 176.56475 0.6 . 1 . . . . . 356 R C . 27704 1 23 . 1 1 6 6 ARG CA C 13 56.391 0.6 . 1 . . . . . 356 R CA . 27704 1 24 . 1 1 6 6 ARG CB C 13 30.949 0.6 . 1 . . . . . 356 R CB . 27704 1 25 . 1 1 6 6 ARG N N 15 123.701 0.13 . 1 . . . . . 356 R N . 27704 1 26 . 1 1 7 7 ARG H H 1 8.729 0.004 . 1 . . . . . 357 R H . 27704 1 27 . 1 1 7 7 ARG C C 13 176.76638 0.6 . 1 . . . . . 357 R C . 27704 1 28 . 1 1 7 7 ARG CA C 13 56.466 0.6 . 1 . . . . . 357 R CA . 27704 1 29 . 1 1 7 7 ARG CB C 13 30.974 0.6 . 1 . . . . . 357 R CB . 27704 1 30 . 1 1 7 7 ARG N N 15 123.68 0.08 . 1 . . . . . 357 R N . 27704 1 31 . 1 1 8 8 THR H H 1 8.464 0.005 . 1 . . . . . 358 T H . 27704 1 32 . 1 1 8 8 THR C C 13 174.58648 0.6 . 1 . . . . . 358 T C . 27704 1 33 . 1 1 8 8 THR CA C 13 62.14 0.6 . 1 . . . . . 358 T CA . 27704 1 34 . 1 1 8 8 THR CB C 13 70.021 0.6 . 1 . . . . . 358 T CB . 27704 1 35 . 1 1 8 8 THR N N 15 116.177 0.05 . 1 . . . . . 358 T N . 27704 1 36 . 1 1 9 9 HIS H H 1 8.671 0.053 . 1 . . . . . 359 H H . 27704 1 37 . 1 1 9 9 HIS C C 13 175.17641 0.6 . 1 . . . . . 359 H C . 27704 1 38 . 1 1 9 9 HIS CA C 13 56.472 0.6 . 1 . . . . . 359 H CA . 27704 1 39 . 1 1 9 9 HIS CB C 13 30.678 0.6 . 1 . . . . . 359 H CB . 27704 1 40 . 1 1 9 9 HIS N N 15 121.994 0.31 . 1 . . . . . 359 H N . 27704 1 41 . 1 1 10 10 ASN H H 1 8.754 0.029 . 1 . . . . . 360 N H . 27704 1 42 . 1 1 10 10 ASN C C 13 175.90861 0.6 . 1 . . . . . 360 N C . 27704 1 43 . 1 1 10 10 ASN CA C 13 53.648 0.6 . 1 . . . . . 360 N CA . 27704 1 44 . 1 1 10 10 ASN CB C 13 38.794 0.6 . 1 . . . . . 360 N CB . 27704 1 45 . 1 1 10 10 ASN N N 15 121.108 0.15 . 1 . . . . . 360 N N . 27704 1 46 . 1 1 11 11 VAL H H 1 8.386 0.007 . 1 . . . . . 361 V H . 27704 1 47 . 1 1 11 11 VAL C C 13 177.17739 0.6 . 1 . . . . . 361 V C . 27704 1 48 . 1 1 11 11 VAL CA C 13 64.545 0.6 . 1 . . . . . 361 V CA . 27704 1 49 . 1 1 11 11 VAL CB C 13 32.44 0.6 . 1 . . . . . 361 V CB . 27704 1 50 . 1 1 11 11 VAL N N 15 121.729 0.08 . 1 . . . . . 361 V N . 27704 1 51 . 1 1 12 12 LEU H H 1 8.343 0.009 . 1 . . . . . 362 L H . 27704 1 52 . 1 1 12 12 LEU C C 13 178.66324 0.6 . 1 . . . . . 362 L C . 27704 1 53 . 1 1 12 12 LEU CA C 13 56.58 0.6 . 1 . . . . . 362 L CA . 27704 1 54 . 1 1 12 12 LEU CB C 13 41.933 0.6 . 1 . . . . . 362 L CB . 27704 1 55 . 1 1 12 12 LEU N N 15 124.039 0.23 . 1 . . . . . 362 L N . 27704 1 56 . 1 1 13 13 GLU H H 1 8.371 0.003 . 1 . . . . . 363 E H . 27704 1 57 . 1 1 13 13 GLU C C 13 177.86016 0.6 . 1 . . . . . 363 E C . 27704 1 58 . 1 1 13 13 GLU CA C 13 57.793 0.6 . 1 . . . . . 363 E CA . 27704 1 59 . 1 1 13 13 GLU CB C 13 29.821 0.6 . 1 . . . . . 363 E CB . 27704 1 60 . 1 1 13 13 GLU N N 15 121.543 0.17 . 1 . . . . . 363 E N . 27704 1 61 . 1 1 14 14 ARG H H 1 8.354 0.012 . 1 . . . . . 364 R H . 27704 1 62 . 1 1 14 14 ARG C C 13 177.61246 0.6 . 1 . . . . . 364 R C . 27704 1 63 . 1 1 14 14 ARG CA C 13 57.534 0.6 . 1 . . . . . 364 R CA . 27704 1 64 . 1 1 14 14 ARG CB C 13 30.441 0.6 . 1 . . . . . 364 R CB . 27704 1 65 . 1 1 14 14 ARG N N 15 121.448 0.17 . 1 . . . . . 364 R N . 27704 1 66 . 1 1 15 15 GLN H H 1 8.399 0.006 . 1 . . . . . 365 Q H . 27704 1 67 . 1 1 15 15 GLN C C 13 177.48099 0.6 . 1 . . . . . 365 Q C . 27704 1 68 . 1 1 15 15 GLN CA C 13 57.574 0.6 . 1 . . . . . 365 Q CA . 27704 1 69 . 1 1 15 15 GLN CB C 13 29.007 0.6 . 1 . . . . . 365 Q CB . 27704 1 70 . 1 1 15 15 GLN N N 15 120.616 0.18 . 1 . . . . . 365 Q N . 27704 1 71 . 1 1 16 16 ARG H H 1 8.435 0.007 . 1 . . . . . 366 R H . 27704 1 72 . 1 1 16 16 ARG C C 13 177.91643 0.6 . 1 . . . . . 366 R C . 27704 1 73 . 1 1 16 16 ARG CA C 13 57.751 0.6 . 1 . . . . . 366 R CA . 27704 1 74 . 1 1 16 16 ARG CB C 13 30.595 0.6 . 1 . . . . . 366 R CB . 27704 1 75 . 1 1 16 16 ARG N N 15 121.957 0.19 . 1 . . . . . 366 R N . 27704 1 76 . 1 1 17 17 ARG H H 1 8.455 0.004 . 1 . . . . . 367 R H . 27704 1 77 . 1 1 17 17 ARG C C 13 177.70453 0.6 . 1 . . . . . 367 R C . 27704 1 78 . 1 1 17 17 ARG CA C 13 57.805 0.6 . 1 . . . . . 367 R CA . 27704 1 79 . 1 1 17 17 ARG CB C 13 30.463 0.6 . 1 . . . . . 367 R CB . 27704 1 80 . 1 1 17 17 ARG N N 15 121.175 0.2 . 1 . . . . . 367 R N . 27704 1 81 . 1 1 18 18 ASN H H 1 8.535 0.003 . 1 . . . . . 368 N H . 27704 1 82 . 1 1 18 18 ASN C C 13 176.55993 0.6 . 1 . . . . . 368 N C . 27704 1 83 . 1 1 18 18 ASN CA C 13 54.412 0.6 . 1 . . . . . 368 N CA . 27704 1 84 . 1 1 18 18 ASN CB C 13 38.541 0.6 . 1 . . . . . 368 N CB . 27704 1 85 . 1 1 18 18 ASN N N 15 119.475 0.15 . 1 . . . . . 368 N N . 27704 1 86 . 1 1 19 19 GLU H H 1 8.412 0.002 . 1 . . . . . 369 E H . 27704 1 87 . 1 1 19 19 GLU C C 13 177.65002 0.6 . 1 . . . . . 369 E C . 27704 1 88 . 1 1 19 19 GLU CA C 13 57.762 0.6 . 1 . . . . . 369 E CA . 27704 1 89 . 1 1 19 19 GLU CB C 13 29.961 0.6 . 1 . . . . . 369 E CB . 27704 1 90 . 1 1 19 19 GLU N N 15 121.449 0.16 . 1 . . . . . 369 E N . 27704 1 91 . 1 1 20 20 LEU H H 1 8.208 0.012 . 1 . . . . . 370 L H . 27704 1 92 . 1 1 20 20 LEU C C 13 178.39113 0.6 . 1 . . . . . 370 L C . 27704 1 93 . 1 1 20 20 LEU CA C 13 56.447 0.6 . 1 . . . . . 370 L CA . 27704 1 94 . 1 1 20 20 LEU CB C 13 42.175 0.6 . 1 . . . . . 370 L CB . 27704 1 95 . 1 1 20 20 LEU N N 15 122.231 0.18 . 1 . . . . . 370 L N . 27704 1 96 . 1 1 21 21 LYS H H 1 8.202 0.012 . 1 . . . . . 371 K H . 27704 1 97 . 1 1 21 21 LYS C C 13 177.31837 0.6 . 1 . . . . . 371 K C . 27704 1 98 . 1 1 21 21 LYS CA C 13 57.604 0.6 . 1 . . . . . 371 K CA . 27704 1 99 . 1 1 21 21 LYS CB C 13 32.651 0.6 . 1 . . . . . 371 K CB . 27704 1 100 . 1 1 21 21 LYS N N 15 121.381 0.2 . 1 . . . . . 371 K N . 27704 1 101 . 1 1 22 22 ARG H H 1 8.314 0.006 . 1 . . . . . 372 R H . 27704 1 102 . 1 1 22 22 ARG C C 13 177.22675 0.6 . 1 . . . . . 372 R C . 27704 1 103 . 1 1 22 22 ARG CA C 13 56.766 0.6 . 1 . . . . . 372 R CA . 27704 1 104 . 1 1 22 22 ARG CB C 13 30.73 0.6 . 1 . . . . . 372 R CB . 27704 1 105 . 1 1 22 22 ARG N N 15 121.502 0.16 . 1 . . . . . 372 R N . 27704 1 106 . 1 1 23 23 SER H H 1 8.379 0.004 . 1 . . . . . 373 S H . 27704 1 107 . 1 1 23 23 SER C C 13 174.70092 0.6 . 1 . . . . . 373 S C . 27704 1 108 . 1 1 23 23 SER CA C 13 59.06 0.6 . 1 . . . . . 373 S CA . 27704 1 109 . 1 1 23 23 SER CB C 13 63.78 0.6 . 1 . . . . . 373 S CB . 27704 1 110 . 1 1 23 23 SER N N 15 116.688 0.16 . 1 . . . . . 373 S N . 27704 1 111 . 1 1 24 24 PHE H H 1 8.285 0.012 . 1 . . . . . 374 F H . 27704 1 112 . 1 1 24 24 PHE C C 13 176.06906 0.6 . 1 . . . . . 374 F C . 27704 1 113 . 1 1 24 24 PHE CA C 13 59.031 0.6 . 1 . . . . . 374 F CA . 27704 1 114 . 1 1 24 24 PHE CB C 13 39.676 0.6 . 1 . . . . . 374 F CB . 27704 1 115 . 1 1 24 24 PHE N N 15 122.48 0.19 . 1 . . . . . 374 F N . 27704 1 116 . 1 1 25 25 PHE H H 1 8.197 0.001 . 1 . . . . . 375 F H . 27704 1 117 . 1 1 25 25 PHE C C 13 175.70356 0.6 . 1 . . . . . 375 F C . 27704 1 118 . 1 1 25 25 PHE CA C 13 58.252 0.6 . 1 . . . . . 375 F CA . 27704 1 119 . 1 1 25 25 PHE CB C 13 39.589 0.6 . 1 . . . . . 375 F CB . 27704 1 120 . 1 1 25 25 PHE N N 15 120.994 0.11 . 1 . . . . . 375 F N . 27704 1 121 . 1 1 26 26 ALA H H 1 8.211 0.007 . 1 . . . . . 376 A H . 27704 1 122 . 1 1 26 26 ALA C C 13 178.02266 0.6 . 1 . . . . . 376 A C . 27704 1 123 . 1 1 26 26 ALA CA C 13 53.043 0.6 . 1 . . . . . 376 A CA . 27704 1 124 . 1 1 26 26 ALA CB C 13 19.243 0.6 . 1 . . . . . 376 A CB . 27704 1 125 . 1 1 26 26 ALA N N 15 124.936 0.12 . 1 . . . . . 376 A N . 27704 1 126 . 1 1 27 27 LEU H H 1 8.2 0.004 . 1 . . . . . 377 L H . 27704 1 127 . 1 1 27 27 LEU C C 13 178.05736 0.6 . 1 . . . . . 377 L C . 27704 1 128 . 1 1 27 27 LEU CA C 13 55.727 0.6 . 1 . . . . . 377 L CA . 27704 1 129 . 1 1 27 27 LEU CB C 13 42.242 0.6 . 1 . . . . . 377 L CB . 27704 1 130 . 1 1 27 27 LEU N N 15 120.972 0.17 . 1 . . . . . 377 L N . 27704 1 131 . 1 1 28 28 ARG H H 1 8.292 0.009 . 1 . . . . . 378 R H . 27704 1 132 . 1 1 28 28 ARG C C 13 176.43802 0.6 . 1 . . . . . 378 R C . 27704 1 133 . 1 1 28 28 ARG CA C 13 56.594 0.6 . 1 . . . . . 378 R CA . 27704 1 134 . 1 1 28 28 ARG CB C 13 30.748 0.6 . 1 . . . . . 378 R CB . 27704 1 135 . 1 1 28 28 ARG N N 15 120.958 0.14 . 1 . . . . . 378 R N . 27704 1 136 . 1 1 29 29 ASP H H 1 8.373 0.006 . 1 . . . . . 379 D H . 27704 1 137 . 1 1 29 29 ASP C C 13 176.14165 0.6 . 1 . . . . . 379 D C . 27704 1 138 . 1 1 29 29 ASP CA C 13 54.893 0.6 . 1 . . . . . 379 D CA . 27704 1 139 . 1 1 29 29 ASP CB C 13 41.114 0.6 . 1 . . . . . 379 D CB . 27704 1 140 . 1 1 29 29 ASP N N 15 120.249 0.17 . 1 . . . . . 379 D N . 27704 1 141 . 1 1 30 30 GLN H H 1 8.247 0.01 . 1 . . . . . 380 Q H . 27704 1 142 . 1 1 30 30 GLN C C 13 175.8988 0.6 . 1 . . . . . 380 Q C . 27704 1 143 . 1 1 30 30 GLN CA C 13 55.745 0.6 . 1 . . . . . 380 Q CA . 27704 1 144 . 1 1 30 30 GLN CB C 13 29.602 0.6 . 1 . . . . . 380 Q CB . 27704 1 145 . 1 1 30 30 GLN N N 15 119.899 0.14 . 1 . . . . . 380 Q N . 27704 1 146 . 1 1 31 31 ILE H H 1 8.419 0.006 . 1 . . . . . 381 I H . 27704 1 147 . 1 1 31 31 ILE N N 15 124.623 0.03 . 1 . . . . . 381 I N . 27704 1 148 . 1 1 32 32 PRO C C 13 177.07646 0.6 . 1 . . . . . 382 P C . 27704 1 149 . 1 1 32 32 PRO CA C 13 63.539 0.6 . 1 . . . . . 382 P CA . 27704 1 150 . 1 1 32 32 PRO CB C 13 32.258 0.6 . 1 . . . . . 382 P CB . 27704 1 151 . 1 1 33 33 GLU H H 1 8.666 0.005 . 1 . . . . . 383 E H . 27704 1 152 . 1 1 33 33 GLU C C 13 176.83846 0.6 . 1 . . . . . 383 E C . 27704 1 153 . 1 1 33 33 GLU CA C 13 56.702 0.6 . 1 . . . . . 383 E CA . 27704 1 154 . 1 1 33 33 GLU CB C 13 30.255 0.6 . 1 . . . . . 383 E CB . 27704 1 155 . 1 1 33 33 GLU N N 15 121.543 0.13 . 1 . . . . . 383 E N . 27704 1 156 . 1 1 34 34 LEU H H 1 8.437 0.004 . 1 . . . . . 384 L H . 27704 1 157 . 1 1 34 34 LEU C C 13 177.68932 0.6 . 1 . . . . . 384 L C . 27704 1 158 . 1 1 34 34 LEU CA C 13 55.315 0.6 . 1 . . . . . 384 L CA . 27704 1 159 . 1 1 34 34 LEU CB C 13 42.464 0.6 . 1 . . . . . 384 L CB . 27704 1 160 . 1 1 34 34 LEU N N 15 123.39 0.1 . 1 . . . . . 384 L N . 27704 1 161 . 1 1 35 35 GLU H H 1 8.555 0 . 1 . . . . . 385 E H . 27704 1 162 . 1 1 35 35 GLU C C 13 176.37306 0.6 . 1 . . . . . 385 E C . 27704 1 163 . 1 1 35 35 GLU CA C 13 56.603 0.6 . 1 . . . . . 385 E CA . 27704 1 164 . 1 1 35 35 GLU CB C 13 30.379 0.6 . 1 . . . . . 385 E CB . 27704 1 165 . 1 1 35 35 GLU N N 15 121.956 0.09 . 1 . . . . . 385 E N . 27704 1 166 . 1 1 36 36 ASN H H 1 8.65 0.004 . 1 . . . . . 386 N H . 27704 1 167 . 1 1 36 36 ASN C C 13 175.26626 0.6 . 1 . . . . . 386 N C . 27704 1 168 . 1 1 36 36 ASN CA C 13 53.518 0.6 . 1 . . . . . 386 N CA . 27704 1 169 . 1 1 36 36 ASN CB C 13 38.883 0.6 . 1 . . . . . 386 N CB . 27704 1 170 . 1 1 36 36 ASN N N 15 120.158 0.09 . 1 . . . . . 386 N N . 27704 1 171 . 1 1 37 37 ASN H H 1 8.645 0.006 . 1 . . . . . 387 N H . 27704 1 172 . 1 1 37 37 ASN C C 13 175.65019 0.6 . 1 . . . . . 387 N C . 27704 1 173 . 1 1 37 37 ASN CA C 13 53.632 0.6 . 1 . . . . . 387 N CA . 27704 1 174 . 1 1 37 37 ASN CB C 13 39.024 0.6 . 1 . . . . . 387 N CB . 27704 1 175 . 1 1 37 37 ASN N N 15 119.98 0.08 . 1 . . . . . 387 N N . 27704 1 176 . 1 1 38 38 GLU H H 1 8.523 0.001 . 1 . . . . . 388 E H . 27704 1 177 . 1 1 38 38 GLU C C 13 176.73516 0.6 . 1 . . . . . 388 E C . 27704 1 178 . 1 1 38 38 GLU CA C 13 57.22 0.6 . 1 . . . . . 388 E CA . 27704 1 179 . 1 1 38 38 GLU CB C 13 30.126 0.6 . 1 . . . . . 388 E CB . 27704 1 180 . 1 1 38 38 GLU N N 15 121.292 0.11 . 1 . . . . . 388 E N . 27704 1 181 . 1 1 39 39 LYS H H 1 8.385 0.003 . 1 . . . . . 389 K H . 27704 1 182 . 1 1 39 39 LYS C C 13 176.30093 0.6 . 1 . . . . . 389 K C . 27704 1 183 . 1 1 39 39 LYS CA C 13 56.239 0.6 . 1 . . . . . 389 K CA . 27704 1 184 . 1 1 39 39 LYS CB C 13 32.998 0.6 . 1 . . . . . 389 K CB . 27704 1 185 . 1 1 39 39 LYS N N 15 121.728 0.1 . 1 . . . . . 389 K N . 27704 1 186 . 1 1 40 40 ALA H H 1 8.271 0.002 . 1 . . . . . 390 A H . 27704 1 187 . 1 1 40 40 ALA N N 15 126.118 0.09 . 1 . . . . . 390 A N . 27704 1 188 . 1 1 41 41 PRO C C 13 177.04625 0.6 . 1 . . . . . 391 P C . 27704 1 189 . 1 1 41 41 PRO CA C 13 63.055 0.6 . 1 . . . . . 391 P CA . 27704 1 190 . 1 1 41 41 PRO CB C 13 32.25 0.6 . 1 . . . . . 391 P CB . 27704 1 191 . 1 1 42 42 LYS H H 1 8.606 0.001 . 1 . . . . . 392 K H . 27704 1 192 . 1 1 42 42 LYS C C 13 176.75861 0.6 . 1 . . . . . 392 K C . 27704 1 193 . 1 1 42 42 LYS CA C 13 56.49 0.6 . 1 . . . . . 392 K CA . 27704 1 194 . 1 1 42 42 LYS CB C 13 33.036 0.6 . 1 . . . . . 392 K CB . 27704 1 195 . 1 1 42 42 LYS N N 15 122.314 0.14 . 1 . . . . . 392 K N . 27704 1 196 . 1 1 43 43 VAL H H 1 8.375 0.007 . 1 . . . . . 393 V H . 27704 1 197 . 1 1 43 43 VAL C C 13 176.11038 0.6 . 1 . . . . . 393 V C . 27704 1 198 . 1 1 43 43 VAL N N 15 123.234 0.03 . 1 . . . . . 393 V N . 27704 1 199 . 1 1 44 44 VAL H H 1 8.512 0.016 . 1 . . . . . 394 V H . 27704 1 200 . 1 1 44 44 VAL C C 13 176.02354 0.6 . 1 . . . . . 394 V C . 27704 1 201 . 1 1 44 44 VAL N N 15 126.863 0.03 . 1 . . . . . 394 V N . 27704 1 202 . 1 1 45 45 ILE C C 13 176.4094 0.6 . 1 . . . . . 395 I C . 27704 1 203 . 1 1 46 46 LEU H H 1 8.579 0.008 . 1 . . . . . 396 L H . 27704 1 204 . 1 1 46 46 LEU C C 13 177.54207 0.6 . 1 . . . . . 396 L C . 27704 1 205 . 1 1 46 46 LEU N N 15 128.223 0.08 . 1 . . . . . 396 L N . 27704 1 206 . 1 1 47 47 LYS H H 1 8.517 0.005 . 1 . . . . . 397 K H . 27704 1 207 . 1 1 47 47 LYS N N 15 123.57 0.07 . 1 . . . . . 397 K N . 27704 1 208 . 1 1 49 49 ALA H H 1 8.61 0.004 . 1 . . . . . 399 A H . 27704 1 209 . 1 1 49 49 ALA N N 15 126.189 0.09 . 1 . . . . . 399 A N . 27704 1 210 . 1 1 65 65 SER H H 1 8.715 0.022 . 1 . . . . . 415 S H . 27704 1 211 . 1 1 65 65 SER N N 15 120.024 0.08 . 1 . . . . . 415 S N . 27704 1 212 . 1 1 72 72 LYS H H 1 8.149 0.028 . 1 . . . . . 422 K H . 27704 1 213 . 1 1 72 72 LYS N N 15 120.13 0.37 . 1 . . . . . 422 K N . 27704 1 stop_ save_