################################### # 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 52964 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Vimentin Tail Domain Chemical Shifts at pH 6.5 in phosphate buffer' _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' . . . 52964 1 2 '3D HNCO' . . . 52964 1 3 '3D HNCACB' . . . 52964 1 4 '3D CBCA(CO)NH' . . . 52964 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 . . 52964 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 1 1 GLY H H 1 8.441 . . 1 . . . . . 400 G HN . 52964 1 2 . 1 . 1 1 1 GLY CA C 13 45.246 . . 1 . . . . . 400 G CA . 52964 1 3 . 1 . 1 1 1 GLY N N 15 109.999 . . 1 . . . . . 400 G N . 52964 1 4 . 1 . 1 2 2 ALA C C 13 177.9 . . 1 . . . . . 401 A C . 52964 1 5 . 1 . 1 3 3 MET H H 1 8.489 . . 1 . . . . . 402 M HN . 52964 1 6 . 1 . 1 3 3 MET N N 15 117.798 . . 1 . . . . . 402 M N . 52964 1 7 . 1 . 1 4 4 ASP H H 1 8.113 . . 1 . . . . . 403 D HN . 52964 1 8 . 1 . 1 4 4 ASP N N 15 122.41 . . 1 . . . . . 403 D N . 52964 1 9 . 1 . 1 5 5 PRO C C 13 177.271 . . 1 . . . . . 404 P C . 52964 1 10 . 1 . 1 5 5 PRO CA C 13 63.562 . . 1 . . . . . 404 P CA . 52964 1 11 . 1 . 1 5 5 PRO CB C 13 32.073 . . 1 . . . . . 404 P CB . 52964 1 12 . 1 . 1 6 6 GLU H H 1 8.535 . . 1 . . . . . 405 E HN . 52964 1 13 . 1 . 1 6 6 GLU C C 13 177.174 . . 1 . . . . . 405 E C . 52964 1 14 . 1 . 1 6 6 GLU CA C 13 56.784 . . 1 . . . . . 405 E CA . 52964 1 15 . 1 . 1 6 6 GLU CB C 13 30.092 . . 1 . . . . . 405 E CB . 52964 1 16 . 1 . 1 6 6 GLU N N 15 120.172 . . 1 . . . . . 405 E N . 52964 1 17 . 1 . 1 7 7 GLY H H 1 8.289 . . 1 . . . . . 406 G HN . 52964 1 18 . 1 . 1 7 7 GLY C C 13 174.428 . . 1 . . . . . 406 G C . 52964 1 19 . 1 . 1 7 7 GLY CA C 13 45.338 . . 1 . . . . . 406 G CA . 52964 1 20 . 1 . 1 7 7 GLY N N 15 109.517 . . 1 . . . . . 406 G N . 52964 1 21 . 1 . 1 8 8 GLU H H 1 8.336 . . 1 . . . . . 407 E HN . 52964 1 22 . 1 . 1 8 8 GLU C C 13 177.081 . . 1 . . . . . 407 E C . 52964 1 23 . 1 . 1 8 8 GLU CA C 13 56.982 . . 1 . . . . . 407 E CA . 52964 1 24 . 1 . 1 8 8 GLU CB C 13 30.359 . . 1 . . . . . 407 E CB . 52964 1 25 . 1 . 1 8 8 GLU N N 15 120.895 . . 1 . . . . . 407 E N . 52964 1 26 . 1 . 1 9 9 GLU H H 1 8.641 . . 1 . . . . . 408 E HN . 52964 1 27 . 1 . 1 9 9 GLU C C 13 176.884 . . 1 . . . . . 408 E C . 52964 1 28 . 1 . 1 9 9 GLU CA C 13 57.281 . . 1 . . . . . 408 E CA . 52964 1 29 . 1 . 1 9 9 GLU CB C 13 30.011 . . 1 . . . . . 408 E CB . 52964 1 30 . 1 . 1 9 9 GLU N N 15 121.419 . . 1 . . . . . 408 E N . 52964 1 31 . 1 . 1 10 10 SER H H 1 8.251 . . 1 . . . . . 409 S HN . 52964 1 32 . 1 . 1 10 10 SER C C 13 174.683 . . 1 . . . . . 409 S C . 52964 1 33 . 1 . 1 10 10 SER CA C 13 58.694 . . 1 . . . . . 409 S CA . 52964 1 34 . 1 . 1 10 10 SER CB C 13 63.537 . . 1 . . . . . 409 S CB . 52964 1 35 . 1 . 1 10 10 SER N N 15 116.219 . . 1 . . . . . 409 S N . 52964 1 36 . 1 . 1 11 11 ARG H H 1 8.19 . . 1 . . . . . 410 R HN . 52964 1 37 . 1 . 1 11 11 ARG C C 13 176.213 . . 1 . . . . . 410 R C . 52964 1 38 . 1 . 1 11 11 ARG CA C 13 56.173 . . 1 . . . . . 410 R CA . 52964 1 39 . 1 . 1 11 11 ARG CB C 13 30.707 . . 1 . . . . . 410 R CB . 52964 1 40 . 1 . 1 11 11 ARG N N 15 122.87 . . 1 . . . . . 410 R N . 52964 1 41 . 1 . 1 12 12 ILE H H 1 8.027 . . 1 . . . . . 411 I HN . 52964 1 42 . 1 . 1 12 12 ILE C C 13 176.098 . . 1 . . . . . 411 I C . 52964 1 43 . 1 . 1 12 12 ILE CA C 13 61.251 . . 1 . . . . . 411 I CA . 52964 1 44 . 1 . 1 12 12 ILE CB C 13 38.8 . . 1 . . . . . 411 I CB . 52964 1 45 . 1 . 1 12 12 ILE N N 15 121.143 . . 1 . . . . . 411 I N . 52964 1 46 . 1 . 1 13 13 SER H H 1 8.319 . . 1 . . . . . 412 S HN . 52964 1 47 . 1 . 1 13 13 SER C C 13 173.817 . . 1 . . . . . 412 S C . 52964 1 48 . 1 . 1 13 13 SER CA C 13 58.056 . . 1 . . . . . 412 S CA . 52964 1 49 . 1 . 1 13 13 SER CB C 13 63.743 . . 1 . . . . . 412 S CB . 52964 1 50 . 1 . 1 13 13 SER N N 15 120.044 . . 1 . . . . . 412 S N . 52964 1 51 . 1 . 1 14 14 LEU H H 1 8.196 . . 1 . . . . . 413 L HN . 52964 1 52 . 1 . 1 14 14 LEU CA C 13 52.938 . . 1 . . . . . 413 L CA . 52964 1 53 . 1 . 1 14 14 LEU CB C 13 41.944 . . 1 . . . . . 413 L CB . 52964 1 54 . 1 . 1 14 14 LEU N N 15 125.865 . . 1 . . . . . 413 L N . 52964 1 55 . 1 . 1 15 15 PRO C C 13 176.547 . . 1 . . . . . 414 P C . 52964 1 56 . 1 . 1 15 15 PRO CA C 13 62.7 . . 1 . . . . . 414 P CA . 52964 1 57 . 1 . 1 15 15 PRO CB C 13 31.862 . . 1 . . . . . 414 P CB . 52964 1 58 . 1 . 1 16 16 LEU H H 1 8.267 . . 1 . . . . . 415 L HN . 52964 1 59 . 1 . 1 16 16 LEU CA C 13 52.924 . . 1 . . . . . 415 L CA . 52964 1 60 . 1 . 1 16 16 LEU CB C 13 41.713 . . 1 . . . . . 415 L CB . 52964 1 61 . 1 . 1 16 16 LEU N N 15 123.675 . . 1 . . . . . 415 L N . 52964 1 62 . 1 . 1 21 21 SER C C 13 174.584 . . 1 . . . . . 420 S C . 52964 1 63 . 1 . 1 22 22 LEU H H 1 8.078 . . 1 . . . . . 421 L HN . 52964 1 64 . 1 . 1 22 22 LEU C C 13 177.037 . . 1 . . . . . 421 L C . 52964 1 65 . 1 . 1 22 22 LEU CA C 13 55.687 . . 1 . . . . . 421 L CA . 52964 1 66 . 1 . 1 22 22 LEU CB C 13 42.337 . . 1 . . . . . 421 L CB . 52964 1 67 . 1 . 1 22 22 LEU N N 15 123.179 . . 1 . . . . . 421 L N . 52964 1 68 . 1 . 1 23 23 ASN H H 1 8.314 . . 1 . . . . . 422 N HN . 52964 1 69 . 1 . 1 23 23 ASN C C 13 175.118 . . 1 . . . . . 422 N C . 52964 1 70 . 1 . 1 23 23 ASN CA C 13 53.253 . . 1 . . . . . 422 N CA . 52964 1 71 . 1 . 1 23 23 ASN CB C 13 38.527 . . 1 . . . . . 422 N CB . 52964 1 72 . 1 . 1 23 23 ASN N N 15 118.714 . . 1 . . . . . 422 N N . 52964 1 73 . 1 . 1 24 24 LEU H H 1 8.192 . . 1 . . . . . 423 L HN . 52964 1 74 . 1 . 1 24 24 LEU C C 13 177.31 . . 1 . . . . . 423 L C . 52964 1 75 . 1 . 1 24 24 LEU CA C 13 55.362 . . 1 . . . . . 423 L CA . 52964 1 76 . 1 . 1 24 24 LEU CB C 13 42.162 . . 1 . . . . . 423 L CB . 52964 1 77 . 1 . 1 24 24 LEU N N 15 120.978 . . 1 . . . . . 423 L N . 52964 1 78 . 1 . 1 25 25 ARG H H 1 8.229 . . 1 . . . . . 424 R HN . 52964 1 79 . 1 . 1 25 25 ARG C C 13 176.306 . . 1 . . . . . 424 R C . 52964 1 80 . 1 . 1 25 25 ARG CA C 13 56.218 . . 1 . . . . . 424 R CA . 52964 1 81 . 1 . 1 25 25 ARG CB C 13 30.765 . . 1 . . . . . 424 R CB . 52964 1 82 . 1 . 1 25 25 ARG N N 15 120.948 . . 1 . . . . . 424 R N . 52964 1 83 . 1 . 1 26 26 GLU H H 1 8.392 . . 1 . . . . . 425 E HN . 52964 1 84 . 1 . 1 26 26 GLU C C 13 176.557 . . 1 . . . . . 425 E C . 52964 1 85 . 1 . 1 26 26 GLU CA C 13 56.591 . . 1 . . . . . 425 E CA . 52964 1 86 . 1 . 1 26 26 GLU CB C 13 30.286 . . 1 . . . . . 425 E CB . 52964 1 87 . 1 . 1 26 26 GLU N N 15 121.532 . . 1 . . . . . 425 E N . 52964 1 88 . 1 . 1 27 27 THR H H 1 8.129 . . 1 . . . . . 426 T HN . 52964 1 89 . 1 . 1 27 27 THR C C 13 174.143 . . 1 . . . . . 426 T C . 52964 1 90 . 1 . 1 27 27 THR CA C 13 61.894 . . 1 . . . . . 426 T CA . 52964 1 91 . 1 . 1 27 27 THR CB C 13 69.993 . . 1 . . . . . 426 T CB . 52964 1 92 . 1 . 1 27 27 THR N N 15 114.592 . . 1 . . . . . 426 T N . 52964 1 93 . 1 . 1 28 28 ASN H H 1 8.499 . . 1 . . . . . 427 N HN . 52964 1 94 . 1 . 1 28 28 ASN C C 13 175.257 . . 1 . . . . . 427 N C . 52964 1 95 . 1 . 1 28 28 ASN CA C 13 53.28 . . 1 . . . . . 427 N CA . 52964 1 96 . 1 . 1 28 28 ASN CB C 13 38.683 . . 1 . . . . . 427 N CB . 52964 1 97 . 1 . 1 28 28 ASN N N 15 121.175 . . 1 . . . . . 427 N N . 52964 1 98 . 1 . 1 29 29 LEU H H 1 8.293 . . 1 . . . . . 428 L HN . 52964 1 99 . 1 . 1 29 29 LEU C C 13 177.357 . . 1 . . . . . 428 L C . 52964 1 100 . 1 . 1 29 29 LEU CA C 13 55.478 . . 1 . . . . . 428 L CA . 52964 1 101 . 1 . 1 29 29 LEU CB C 13 42.167 . . 1 . . . . . 428 L CB . 52964 1 102 . 1 . 1 29 29 LEU N N 15 122.693 . . 1 . . . . . 428 L N . 52964 1 103 . 1 . 1 30 30 ASP H H 1 8.275 . . 1 . . . . . 429 D HN . 52964 1 104 . 1 . 1 30 30 ASP C C 13 176.183 . . 1 . . . . . 429 D C . 52964 1 105 . 1 . 1 30 30 ASP CA C 13 54.643 . . 1 . . . . . 429 D CA . 52964 1 106 . 1 . 1 30 30 ASP CB C 13 41.067 . . 1 . . . . . 429 D CB . 52964 1 107 . 1 . 1 30 30 ASP N N 15 120.052 . . 1 . . . . . 429 D N . 52964 1 108 . 1 . 1 31 31 SER H H 1 8.011 . . 1 . . . . . 430 S HN . 52964 1 109 . 1 . 1 31 31 SER C C 13 174.074 . . 1 . . . . . 430 S C . 52964 1 110 . 1 . 1 31 31 SER CA C 13 58.092 . . 1 . . . . . 430 S CA . 52964 1 111 . 1 . 1 31 31 SER CB C 13 63.806 . . 1 . . . . . 430 S CB . 52964 1 112 . 1 . 1 31 31 SER N N 15 114.902 . . 1 . . . . . 430 S N . 52964 1 113 . 1 . 1 32 32 LEU H H 1 8.092 . . 1 . . . . . 431 L HN . 52964 1 114 . 1 . 1 32 32 LEU CA C 13 53.318 . . 1 . . . . . 431 L CA . 52964 1 115 . 1 . 1 32 32 LEU CB C 13 41.616 . . 1 . . . . . 431 L CB . 52964 1 116 . 1 . 1 32 32 LEU N N 15 125.004 . . 1 . . . . . 431 L N . 52964 1 117 . 1 . 1 33 33 PRO C C 13 175.049 . . 1 . . . . . 432 P C . 52964 1 118 . 1 . 1 34 34 LEU H H 1 8.114 . . 1 . . . . . 433 L HN . 52964 1 119 . 1 . 1 34 34 LEU C C 13 177.433 . . 1 . . . . . 433 L C . 52964 1 120 . 1 . 1 34 34 LEU CA C 13 55.4 . . 1 . . . . . 433 L CA . 52964 1 121 . 1 . 1 34 34 LEU CB C 13 42.1 . . 1 . . . . . 433 L CB . 52964 1 122 . 1 . 1 34 34 LEU N N 15 122.4 . . 1 . . . . . 433 L N . 52964 1 123 . 1 . 1 35 35 VAL H H 1 8.054 . . 1 . . . . . 434 V HN . 52964 1 124 . 1 . 1 35 35 VAL C C 13 175.622 . . 1 . . . . . 434 V C . 52964 1 125 . 1 . 1 35 35 VAL CA C 13 62.071 . . 1 . . . . . 434 V CA . 52964 1 126 . 1 . 1 35 35 VAL CB C 13 33.027 . . 1 . . . . . 434 V CB . 52964 1 127 . 1 . 1 35 35 VAL N N 15 120.685 . . 1 . . . . . 434 V N . 52964 1 128 . 1 . 1 36 36 ASP H H 1 8.412 . . 1 . . . . . 435 D HN . 52964 1 129 . 1 . 1 36 36 ASP C C 13 175.652 . . 1 . . . . . 435 D C . 52964 1 130 . 1 . 1 36 36 ASP CA C 13 54.103 . . 1 . . . . . 435 D CA . 52964 1 131 . 1 . 1 36 36 ASP CB C 13 41.365 . . 1 . . . . . 435 D CB . 52964 1 132 . 1 . 1 36 36 ASP N N 15 124.18 . . 1 . . . . . 435 D N . 52964 1 133 . 1 . 1 37 37 THR H H 1 8.386 . . 1 . . . . . 436 T HN . 52964 1 134 . 1 . 1 37 37 THR N N 15 120.57 . . 1 . . . . . 436 T N . 52964 1 135 . 1 . 1 41 41 ARG C C 13 176.493 . . 1 . . . . . 440 R C . 52964 1 136 . 1 . 1 42 42 THR H H 1 8.156 . . 1 . . . . . 441 T HN . 52964 1 137 . 1 . 1 42 42 THR C C 13 174.222 . . 1 . . . . . 441 T C . 52964 1 138 . 1 . 1 42 42 THR CB C 13 69.649 . . 1 . . . . . 441 T CB . 52964 1 139 . 1 . 1 42 42 THR N N 15 115.851 . . 1 . . . . . 441 T N . 52964 1 140 . 1 . 1 43 43 LEU H H 1 8.193 . . 1 . . . . . 442 L HN . 52964 1 141 . 1 . 1 43 43 LEU C C 13 176.748 . . 1 . . . . . 442 L C . 52964 1 142 . 1 . 1 43 43 LEU CA C 13 55.167 . . 1 . . . . . 442 L CA . 52964 1 143 . 1 . 1 43 43 LEU CB C 13 42.319 . . 1 . . . . . 442 L CB . 52964 1 144 . 1 . 1 43 43 LEU N N 15 124.866 . . 1 . . . . . 442 L N . 52964 1 145 . 1 . 1 44 44 LEU H H 1 8.173 . . 1 . . . . . 443 L HN . 52964 1 146 . 1 . 1 44 44 LEU C C 13 176.794 . . 1 . . . . . 443 L C . 52964 1 147 . 1 . 1 44 44 LEU CA C 13 55.167 . . 1 . . . . . 443 L CA . 52964 1 148 . 1 . 1 44 44 LEU CB C 13 42.319 . . 1 . . . . . 443 L CB . 52964 1 149 . 1 . 1 44 44 LEU N N 15 123.5 . . 1 . . . . . 443 L N . 52964 1 150 . 1 . 1 45 45 ILE H H 1 8.053 . . 1 . . . . . 444 I HN . 52964 1 151 . 1 . 1 45 45 ILE C C 13 175.902 . . 1 . . . . . 444 I C . 52964 1 152 . 1 . 1 45 45 ILE CA C 13 60.836 . . 1 . . . . . 444 I CA . 52964 1 153 . 1 . 1 45 45 ILE CB C 13 38.733 . . 1 . . . . . 444 I CB . 52964 1 154 . 1 . 1 45 45 ILE N N 15 122.436 . . 1 . . . . . 444 I N . 52964 1 155 . 1 . 1 46 46 LYS H H 1 8.402 . . 1 . . . . . 445 K HN . 52964 1 156 . 1 . 1 46 46 LYS C C 13 176.379 . . 1 . . . . . 445 K C . 52964 1 157 . 1 . 1 46 46 LYS CA C 13 56.233 . . 1 . . . . . 445 K CA . 52964 1 158 . 1 . 1 46 46 LYS CB C 13 33.248 . . 1 . . . . . 445 K CB . 52964 1 159 . 1 . 1 46 46 LYS N N 15 125.982 . . 1 . . . . . 445 K N . 52964 1 160 . 1 . 1 47 47 THR H H 1 8.226 . . 1 . . . . . 446 T HN . 52964 1 161 . 1 . 1 47 47 THR C C 13 174.313 . . 1 . . . . . 446 T C . 52964 1 162 . 1 . 1 47 47 THR CA C 13 61.842 . . 1 . . . . . 446 T CA . 52964 1 163 . 1 . 1 47 47 THR CB C 13 69.924 . . 1 . . . . . 446 T CB . 52964 1 164 . 1 . 1 47 47 THR N N 15 116.848 . . 1 . . . . . 446 T N . 52964 1 165 . 1 . 1 48 48 VAL H H 1 8.236 . . 1 . . . . . 447 V HN . 52964 1 166 . 1 . 1 48 48 VAL C C 13 175.768 . . 1 . . . . . 447 V C . 52964 1 167 . 1 . 1 48 48 VAL CA C 13 62.073 . . 1 . . . . . 447 V CA . 52964 1 168 . 1 . 1 48 48 VAL CB C 13 32.973 . . 1 . . . . . 447 V CB . 52964 1 169 . 1 . 1 48 48 VAL N N 15 122.317 . . 1 . . . . . 447 V N . 52964 1 170 . 1 . 1 49 49 GLU H H 1 8.539 . . 1 . . . . . 448 E HN . 52964 1 171 . 1 . 1 49 49 GLU C C 13 176.437 . . 1 . . . . . 448 E C . 52964 1 172 . 1 . 1 49 49 GLU CA C 13 56.297 . . 1 . . . . . 448 E CA . 52964 1 173 . 1 . 1 49 49 GLU CB C 13 30.662 . . 1 . . . . . 448 E CB . 52964 1 174 . 1 . 1 49 49 GLU N N 15 124.966 . . 1 . . . . . 448 E N . 52964 1 175 . 1 . 1 50 50 THR H H 1 8.264 . . 1 . . . . . 449 T HN . 52964 1 176 . 1 . 1 50 50 THR CA C 13 61.656 . . 1 . . . . . 449 T CA . 52964 1 177 . 1 . 1 50 50 THR CB C 13 70.164 . . 1 . . . . . 449 T CB . 52964 1 178 . 1 . 1 50 50 THR N N 15 115.741 . . 1 . . . . . 449 T N . 52964 1 179 . 1 . 1 51 51 ARG C C 13 176.037 . . 1 . . . . . 450 R C . 52964 1 180 . 1 . 1 52 52 ASP H H 1 8.463 . . 1 . . . . . 451 D HN . 52964 1 181 . 1 . 1 52 52 ASP C C 13 176.667 . . 1 . . . . . 451 D C . 52964 1 182 . 1 . 1 52 52 ASP CA C 13 54.631 . . 1 . . . . . 451 D CA . 52964 1 183 . 1 . 1 52 52 ASP CB C 13 41.018 . . 1 . . . . . 451 D CB . 52964 1 184 . 1 . 1 52 52 ASP N N 15 121.63 . . 1 . . . . . 451 D N . 52964 1 185 . 1 . 1 53 53 GLY H H 1 8.375 . . 1 . . . . . 452 G HN . 52964 1 186 . 1 . 1 53 53 GLY C C 13 174.156 . . 1 . . . . . 452 G C . 52964 1 187 . 1 . 1 53 53 GLY CA C 13 45.504 . . 1 . . . . . 452 G CA . 52964 1 188 . 1 . 1 53 53 GLY N N 15 108.726 . . 1 . . . . . 452 G N . 52964 1 189 . 1 . 1 54 54 GLN H H 1 8.085 . . 1 . . . . . 453 Q HN . 52964 1 190 . 1 . 1 54 54 GLN CA C 13 55.652 . . 1 . . . . . 453 Q CA . 52964 1 191 . 1 . 1 54 54 GLN CB C 13 29.818 . . 1 . . . . . 453 Q CB . 52964 1 192 . 1 . 1 54 54 GLN N N 15 119.726 . . 1 . . . . . 453 Q N . 52964 1 193 . 1 . 1 55 55 VAL H H 1 8.287 . . 1 . . . . . 454 V HN . 52964 1 194 . 1 . 1 55 55 VAL C C 13 176.056 . . 1 . . . . . 454 V C . 52964 1 195 . 1 . 1 55 55 VAL CA C 13 62.734 . . 1 . . . . . 454 V CA . 52964 1 196 . 1 . 1 55 55 VAL CB C 13 32.49 . . 1 . . . . . 454 V CB . 52964 1 197 . 1 . 1 55 55 VAL N N 15 122.41 . . 1 . . . . . 454 V N . 52964 1 198 . 1 . 1 56 56 ILE H H 1 8.337 . . 1 . . . . . 455 I HN . 52964 1 199 . 1 . 1 56 56 ILE C C 13 175.646 . . 1 . . . . . 455 I C . 52964 1 200 . 1 . 1 56 56 ILE CA C 13 60.835 . . 1 . . . . . 455 I CA . 52964 1 201 . 1 . 1 56 56 ILE CB C 13 38.785 . . 1 . . . . . 455 I CB . 52964 1 202 . 1 . 1 56 56 ILE N N 15 125.408 . . 1 . . . . . 455 I N . 52964 1 203 . 1 . 1 57 57 ASN H H 1 8.53 . . 1 . . . . . 456 N HN . 52964 1 204 . 1 . 1 57 57 ASN C C 13 175.044 . . 1 . . . . . 456 N C . 52964 1 205 . 1 . 1 57 57 ASN CA C 13 53.102 . . 1 . . . . . 456 N CA . 52964 1 206 . 1 . 1 57 57 ASN CB C 13 39.091 . . 1 . . . . . 456 N CB . 52964 1 207 . 1 . 1 57 57 ASN N N 15 123.222 . . 1 . . . . . 456 N N . 52964 1 208 . 1 . 1 58 58 GLU H H 1 8.538 . . 1 . . . . . 457 E HN . 52964 1 209 . 1 . 1 58 58 GLU C C 13 176.713 . . 1 . . . . . 457 E C . 52964 1 210 . 1 . 1 58 58 GLU CA C 13 56.954 . . 1 . . . . . 457 E CA . 52964 1 211 . 1 . 1 58 58 GLU CB C 13 30.35 . . 1 . . . . . 457 E CB . 52964 1 212 . 1 . 1 58 58 GLU N N 15 122.18 . . 1 . . . . . 457 E N . 52964 1 213 . 1 . 1 59 59 THR H H 1 8.27 . . 1 . . . . . 458 T HN . 52964 1 214 . 1 . 1 59 59 THR C C 13 174.701 . . 1 . . . . . 458 T C . 52964 1 215 . 1 . 1 59 59 THR CA C 13 62.087 . . 1 . . . . . 458 T CA . 52964 1 216 . 1 . 1 59 59 THR CB C 13 69.799 . . 1 . . . . . 458 T CB . 52964 1 217 . 1 . 1 59 59 THR N N 15 114.694 . . 1 . . . . . 458 T N . 52964 1 218 . 1 . 1 60 60 SER H H 1 8.295 . . 1 . . . . . 459 S HN . 52964 1 219 . 1 . 1 60 60 SER C C 13 174.326 . . 1 . . . . . 459 S C . 52964 1 220 . 1 . 1 60 60 SER CA C 13 58.496 . . 1 . . . . . 459 S CA . 52964 1 221 . 1 . 1 60 60 SER CB C 13 63.736 . . 1 . . . . . 459 S CB . 52964 1 222 . 1 . 1 60 60 SER N N 15 117.996 . . 1 . . . . . 459 S N . 52964 1 223 . 1 . 1 61 61 GLN H H 1 8.331 . . 1 . . . . . 460 Q HN . 52964 1 224 . 1 . 1 61 61 GLN CA C 13 55.886 . . 1 . . . . . 460 Q CA . 52964 1 225 . 1 . 1 61 61 GLN CB C 13 29.612 . . 1 . . . . . 460 Q CB . 52964 1 226 . 1 . 1 61 61 GLN N N 15 121.816 . . 1 . . . . . 460 Q N . 52964 1 227 . 1 . 1 63 63 HIS C C 13 174.283 . . 1 . . . . . 462 H C . 52964 1 228 . 1 . 1 64 64 ASP H H 1 8.497 . . 1 . . . . . 463 D HN . 52964 1 229 . 1 . 1 64 64 ASP C C 13 175.698 . . 1 . . . . . 463 D C . 52964 1 230 . 1 . 1 64 64 ASP CA C 13 54.441 . . 1 . . . . . 463 D CA . 52964 1 231 . 1 . 1 64 64 ASP CB C 13 41.32 . . 1 . . . . . 463 D CB . 52964 1 232 . 1 . 1 64 64 ASP N N 15 122.06 . . 1 . . . . . 463 D N . 52964 1 233 . 1 . 1 65 65 ASP H H 1 8.396 . . 1 . . . . . 464 D HN . 52964 1 234 . 1 . 1 65 65 ASP C C 13 175.983 . . 1 . . . . . 464 D C . 52964 1 235 . 1 . 1 65 65 ASP CA C 13 54.5 . . 1 . . . . . 464 D CA . 52964 1 236 . 1 . 1 65 65 ASP CB C 13 41.121 . . 1 . . . . . 464 D CB . 52964 1 237 . 1 . 1 65 65 ASP N N 15 120.345 . . 1 . . . . . 464 D N . 52964 1 238 . 1 . 1 66 66 LEU H H 1 8.18 . . 1 . . . . . 465 L HN . 52964 1 239 . 1 . 1 66 66 LEU C C 13 176.544 . . 1 . . . . . 465 L C . 52964 1 240 . 1 . 1 66 66 LEU CA C 13 55.078 . . 1 . . . . . 465 L CA . 52964 1 241 . 1 . 1 66 66 LEU CB C 13 42.446 . . 1 . . . . . 465 L CB . 52964 1 242 . 1 . 1 66 66 LEU N N 15 122.009 . . 1 . . . . . 465 L N . 52964 1 243 . 1 . 1 67 67 GLU H H 1 7.863 . . 1 . . . . . 466 E HN . 52964 1 244 . 1 . 1 67 67 GLU CA C 13 58.034 . . 1 . . . . . 466 E CA . 52964 1 245 . 1 . 1 67 67 GLU CB C 13 31.247 . . 1 . . . . . 466 E CB . 52964 1 246 . 1 . 1 67 67 GLU N N 15 126.25 . . 1 . . . . . 466 E N . 52964 1 stop_ save_