################################### # 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 50642 _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 $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' . . . 50642 1 2 '3D HNCA' . . . 50642 1 3 '3D HN(CO)CA' . . . 50642 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'spectrometer error' 'all 13C' 13 -2.40 . 50642 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 . . 50642 1 2 $software_2 . . 50642 1 3 $software_3 . . 50642 1 4 $software_4 . . 50642 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 GLY H H 1 8.320 0.01 . 1 . . 553 . . 2 GLY H . 50642 1 2 . 1 . 1 2 2 GLY CA C 13 45.851 0.036 . 1 . . 552 . . 2 GLY CA . 50642 1 3 . 1 . 1 2 2 GLY N N 15 113.332 0.012 . 1 . . 554 . . 2 GLY N . 50642 1 4 . 1 . 1 3 3 ALA H H 1 8.547 0.015 . 1 . . 550 . . 3 ALA H . 50642 1 5 . 1 . 1 3 3 ALA CA C 13 53.295 0.048 . 1 . . 549 . . 3 ALA CA . 50642 1 6 . 1 . 1 3 3 ALA N N 15 125.327 0.092 . 1 . . 551 . . 3 ALA N . 50642 1 7 . 1 . 1 4 4 ARG H H 1 8.064 0.007 . 1 . . 547 . . 4 ARG H . 50642 1 8 . 1 . 1 4 4 ARG CA C 13 56.402 0.022 . 1 . . 546 . . 4 ARG CA . 50642 1 9 . 1 . 1 4 4 ARG N N 15 117.735 0.007 . 1 . . 548 . . 4 ARG N . 50642 1 10 . 1 . 1 5 5 ALA H H 1 7.936 0.006 . 1 . . 543 . . 5 ALA H . 50642 1 11 . 1 . 1 5 5 ALA CA C 13 53.473 0.043 . 1 . . 545 . . 5 ALA CA . 50642 1 12 . 1 . 1 5 5 ALA N N 15 121.358 0.03 . 1 . . 544 . . 5 ALA N . 50642 1 13 . 1 . 1 6 6 SER H H 1 7.913 0.004 . 1 . . 540 . . 6 SER H . 50642 1 14 . 1 . 1 6 6 SER CA C 13 59.191 0.039 . 1 . . 542 . . 6 SER CA . 50642 1 15 . 1 . 1 6 6 SER N N 15 111.634 0.072 . 1 . . 541 . . 6 SER N . 50642 1 16 . 1 . 1 7 7 VAL H H 1 7.576 0.009 . 1 . . 577 . . 7 VAL H . 50642 1 17 . 1 . 1 7 7 VAL CA C 13 63.045 0.043 . 1 . . 579 . . 7 VAL CA . 50642 1 18 . 1 . 1 7 7 VAL N N 15 118.052 0.073 . 1 . . 578 . . 7 VAL N . 50642 1 19 . 1 . 1 8 8 LEU H H 1 7.412 0.011 . 1 . . 523 . . 8 LEU H . 50642 1 20 . 1 . 1 8 8 LEU CA C 13 54.511 . . 1 . . 576 . . 8 LEU CA . 50642 1 21 . 1 . 1 8 8 LEU N N 15 120.182 0.17 . 1 . . 524 . . 8 LEU N . 50642 1 22 . 1 . 1 9 9 SER H H 1 8.439 0.013 . 1 . . 525 . . 9 SER H . 50642 1 23 . 1 . 1 9 9 SER CA C 13 57.733 0.041 . 1 . . 527 . . 9 SER CA . 50642 1 24 . 1 . 1 9 9 SER N N 15 115.995 0.039 . 1 . . 526 . . 9 SER N . 50642 1 25 . 1 . 1 10 10 GLY H H 1 8.757 0.011 . 1 . . 528 . . 10 GLY H . 50642 1 26 . 1 . 1 10 10 GLY CA C 13 46.428 0.005 . 1 . . 530 . . 10 GLY CA . 50642 1 27 . 1 . 1 10 10 GLY N N 15 110.453 0.009 . 1 . . 529 . . 10 GLY N . 50642 1 28 . 1 . 1 11 11 GLY H H 1 8.575 0.006 . 1 . . 531 . . 11 GLY H . 50642 1 29 . 1 . 1 11 11 GLY CA C 13 46.335 0.006 . 1 . . 533 . . 11 GLY CA . 50642 1 30 . 1 . 1 11 11 GLY N N 15 109.301 0.022 . 1 . . 532 . . 11 GLY N . 50642 1 31 . 1 . 1 12 12 GLU H H 1 8.230 0.011 . 1 . . 534 . . 12 GLU H . 50642 1 32 . 1 . 1 12 12 GLU CA C 13 59.167 0.007 . 1 . . 536 . . 12 GLU CA . 50642 1 33 . 1 . 1 12 12 GLU N N 15 120.987 0.04 . 1 . . 535 . . 12 GLU N . 50642 1 34 . 1 . 1 13 13 LEU H H 1 8.093 0.008 . 1 . . 537 . . 13 LEU H . 50642 1 35 . 1 . 1 13 13 LEU CA C 13 57.227 0.007 . 1 . . 539 . . 13 LEU CA . 50642 1 36 . 1 . 1 13 13 LEU N N 15 120.524 0.031 . 1 . . 538 . . 13 LEU N . 50642 1 37 . 1 . 1 14 14 ASP H H 1 7.781 0.012 . 1 . . 516 . . 14 ASP H . 50642 1 38 . 1 . 1 14 14 ASP CA C 13 56.889 0.041 . 1 . . 518 . . 14 ASP CA . 50642 1 39 . 1 . 1 14 14 ASP N N 15 117.116 0.018 . 1 . . 517 . . 14 ASP N . 50642 1 40 . 1 . 1 15 15 LYS H H 1 7.315 0.006 . 1 . . 519 . . 15 LYS H . 50642 1 41 . 1 . 1 15 15 LYS CA C 13 58.382 . . 1 . . 521 . . 15 LYS CA . 50642 1 42 . 1 . 1 15 15 LYS N N 15 116.283 0.014 . 1 . . 520 . . 15 LYS N . 50642 1 43 . 1 . 1 17 17 GLU H H 1 7.639 0.002 . 1 . . 514 . . 17 GLU H . 50642 1 44 . 1 . 1 17 17 GLU CA C 13 56.708 0.025 . 1 . . 513 . . 17 GLU CA . 50642 1 45 . 1 . 1 17 17 GLU N N 15 108.346 0.084 . 1 . . 515 . . 17 GLU N . 50642 1 46 . 1 . 1 18 18 LYS H H 1 7.339 0.004 . 1 . . 510 . . 18 LYS H . 50642 1 47 . 1 . 1 18 18 LYS CA C 13 55.533 0.022 . 1 . . 512 . . 18 LYS CA . 50642 1 48 . 1 . 1 18 18 LYS N N 15 115.685 0.019 . 1 . . 511 . . 18 LYS N . 50642 1 49 . 1 . 1 19 19 ILE H H 1 7.627 0.008 . 1 . . 279 . . 19 ILE H . 50642 1 50 . 1 . 1 19 19 ILE CA C 13 63.005 0.025 . 1 . . 281 . . 19 ILE CA . 50642 1 51 . 1 . 1 19 19 ILE N N 15 124.265 0.033 . 1 . . 280 . . 19 ILE N . 50642 1 52 . 1 . 1 20 20 ARG H H 1 8.049 0.003 . 1 . . 282 . . 20 ARG H . 50642 1 53 . 1 . 1 20 20 ARG CA C 13 56.094 0.066 . 1 . . 284 . . 20 ARG CA . 50642 1 54 . 1 . 1 20 20 ARG N N 15 126.062 0.016 . 1 . . 283 . . 20 ARG N . 50642 1 55 . 1 . 1 21 21 LEU H H 1 7.832 0.006 . 1 . . 285 . . 21 LEU H . 50642 1 56 . 1 . 1 21 21 LEU CA C 13 58.057 0.0 . 1 . . 287 . . 21 LEU CA . 50642 1 57 . 1 . 1 21 21 LEU N N 15 120.711 0.014 . 1 . . 286 . . 21 LEU N . 50642 1 58 . 1 . 1 22 22 ARG H H 1 9.032 0.012 . 1 . . 288 . . 22 ARG H . 50642 1 59 . 1 . 1 22 22 ARG CA C 13 52.551 . . 1 . . 290 . . 22 ARG CA . 50642 1 60 . 1 . 1 22 22 ARG N N 15 119.881 0.034 . 1 . . 289 . . 22 ARG N . 50642 1 61 . 1 . 1 23 23 PRO CA C 13 63.240 0.006 . 1 . . 293 . . 23 PRO CA . 50642 1 62 . 1 . 1 24 24 GLY H H 1 9.133 0.01 . 1 . . 291 . . 24 GLY H . 50642 1 63 . 1 . 1 24 24 GLY CA C 13 45.505 0.05 . 1 . . 294 . . 24 GLY CA . 50642 1 64 . 1 . 1 24 24 GLY N N 15 112.939 0.044 . 1 . . 292 . . 24 GLY N . 50642 1 65 . 1 . 1 25 25 GLY H H 1 8.123 0.006 . 1 . . 295 . . 25 GLY H . 50642 1 66 . 1 . 1 25 25 GLY CA C 13 44.230 . . 1 . . 297 . . 25 GLY CA . 50642 1 67 . 1 . 1 25 25 GLY N N 15 108.242 0.021 . 1 . . 296 . . 25 GLY N . 50642 1 68 . 1 . 1 26 26 LYS CA C 13 56.748 . . 1 . . 509 . . 26 LYS CA . 50642 1 69 . 1 . 1 27 27 LYS H H 1 7.975 0.009 . 1 . . 507 . . 27 LYS H . 50642 1 70 . 1 . 1 27 27 LYS CA C 13 57.162 0.029 . 1 . . 506 . . 27 LYS CA . 50642 1 71 . 1 . 1 27 27 LYS N N 15 118.367 0.031 . 1 . . 508 . . 27 LYS N . 50642 1 72 . 1 . 1 28 28 GLN H H 1 8.476 0.011 . 1 . . 504 . . 28 GLN H . 50642 1 73 . 1 . 1 28 28 GLN CA C 13 54.283 0.058 . 1 . . 503 . . 28 GLN CA . 50642 1 74 . 1 . 1 28 28 GLN N N 15 123.221 0.031 . 1 . . 505 . . 28 GLN N . 50642 1 75 . 1 . 1 29 29 TYR H H 1 7.915 0.01 . 1 . . 501 . . 29 TYR H . 50642 1 76 . 1 . 1 29 29 TYR CA C 13 60.801 0.036 . 1 . . 493 . . 29 TYR CA . 50642 1 77 . 1 . 1 29 29 TYR N N 15 119.833 0.148 . 1 . . 502 . . 29 TYR N . 50642 1 78 . 1 . 1 30 30 LYS H H 1 10.589 0.018 . 1 . . 491 . . 30 LYS H . 50642 1 79 . 1 . 1 30 30 LYS CA C 13 53.734 0.055 . 1 . . 494 . . 30 LYS CA . 50642 1 80 . 1 . 1 30 30 LYS N N 15 118.054 0.034 . 1 . . 492 . . 30 LYS N . 50642 1 81 . 1 . 1 31 31 LEU H H 1 10.062 0.007 . 1 . . 499 . . 31 LEU H . 50642 1 82 . 1 . 1 31 31 LEU CA C 13 59.556 0.382 . 1 . . 497 . . 31 LEU CA . 50642 1 83 . 1 . 1 31 31 LEU N N 15 128.882 0.08 . 1 . . 500 . . 31 LEU N . 50642 1 84 . 1 . 1 32 32 LYS H H 1 8.478 0.003 . 1 . . 495 . . 32 LYS H . 50642 1 85 . 1 . 1 32 32 LYS CA C 13 58.939 0.037 . 1 . . 498 . . 32 LYS CA . 50642 1 86 . 1 . 1 32 32 LYS N N 15 115.099 0.002 . 1 . . 496 . . 32 LYS N . 50642 1 87 . 1 . 1 33 33 HIS H H 1 8.239 0.004 . 1 . . 489 . . 33 HIS H . 50642 1 88 . 1 . 1 33 33 HIS CA C 13 62.596 0.071 . 1 . . 488 . . 33 HIS CA . 50642 1 89 . 1 . 1 33 33 HIS N N 15 119.866 0.05 . 1 . . 490 . . 33 HIS N . 50642 1 90 . 1 . 1 34 34 ILE H H 1 7.908 0.007 . 1 . . 486 . . 34 ILE H . 50642 1 91 . 1 . 1 34 34 ILE CA C 13 64.221 0.037 . 1 . . 485 . . 34 ILE CA . 50642 1 92 . 1 . 1 34 34 ILE N N 15 119.674 0.096 . 1 . . 487 . . 34 ILE N . 50642 1 93 . 1 . 1 35 35 VAL H H 1 7.716 0.012 . 1 . . 483 . . 35 VAL H . 50642 1 94 . 1 . 1 35 35 VAL CA C 13 66.734 0.102 . 1 . . 482 . . 35 VAL CA . 50642 1 95 . 1 . 1 35 35 VAL N N 15 121.113 0.024 . 1 . . 484 . . 35 VAL N . 50642 1 96 . 1 . 1 36 36 TRP H H 1 8.592 0.01 . 1 . . 480 . . 36 TRP H . 50642 1 97 . 1 . 1 36 36 TRP CA C 13 61.584 0.082 . 1 . . 479 . . 36 TRP CA . 50642 1 98 . 1 . 1 36 36 TRP N N 15 120.690 0.065 . 1 . . 481 . . 36 TRP N . 50642 1 99 . 1 . 1 37 37 ALA H H 1 8.291 0.003 . 1 . . 477 . . 37 ALA H . 50642 1 100 . 1 . 1 37 37 ALA CA C 13 54.827 0.008 . 1 . . 476 . . 37 ALA CA . 50642 1 101 . 1 . 1 37 37 ALA N N 15 120.856 0.116 . 1 . . 478 . . 37 ALA N . 50642 1 102 . 1 . 1 38 38 SER H H 1 8.228 0.009 . 1 . . 474 . . 38 SER H . 50642 1 103 . 1 . 1 38 38 SER CA C 13 62.016 0.001 . 1 . . 473 . . 38 SER CA . 50642 1 104 . 1 . 1 38 38 SER N N 15 111.493 0.028 . 1 . . 475 . . 38 SER N . 50642 1 105 . 1 . 1 39 39 ARG H H 1 7.501 0.003 . 1 . . 298 . . 39 ARG H . 50642 1 106 . 1 . 1 39 39 ARG CA C 13 58.260 0.021 . 1 . . 300 . . 39 ARG CA . 50642 1 107 . 1 . 1 39 39 ARG N N 15 120.817 0.06 . 1 . . 299 . . 39 ARG N . 50642 1 108 . 1 . 1 40 40 GLU H H 1 8.225 0.004 . 1 . . 301 . . 40 GLU H . 50642 1 109 . 1 . 1 40 40 GLU CA C 13 58.028 0.003 . 1 . . 305 . . 40 GLU CA . 50642 1 110 . 1 . 1 40 40 GLU N N 15 121.629 0.043 . 1 . . 302 . . 40 GLU N . 50642 1 111 . 1 . 1 41 41 LEU H H 1 8.005 0.006 . 1 . . 303 . . 41 LEU H . 50642 1 112 . 1 . 1 41 41 LEU CA C 13 57.793 0.043 . 1 . . 522 . . 41 LEU CA . 50642 1 113 . 1 . 1 41 41 LEU N N 15 117.037 0.003 . 1 . . 304 . . 41 LEU N . 50642 1 114 . 1 . 1 42 42 GLU H H 1 7.574 0.005 . 1 . . 308 . . 42 GLU H . 50642 1 115 . 1 . 1 42 42 GLU CA C 13 59.486 0.024 . 1 . . 310 . . 42 GLU CA . 50642 1 116 . 1 . 1 42 42 GLU N N 15 117.715 0.02 . 1 . . 309 . . 42 GLU N . 50642 1 117 . 1 . 1 43 43 ARG H H 1 7.679 0.004 . 1 . . 306 . . 43 ARG H . 50642 1 118 . 1 . 1 43 43 ARG CA C 13 58.465 0.022 . 1 . . 311 . . 43 ARG CA . 50642 1 119 . 1 . 1 43 43 ARG N N 15 119.765 0.021 . 1 . . 307 . . 43 ARG N . 50642 1 120 . 1 . 1 44 44 PHE H H 1 7.529 0.006 . 1 . . 312 . . 44 PHE H . 50642 1 121 . 1 . 1 44 44 PHE CA C 13 57.082 0.013 . 1 . . 314 . . 44 PHE CA . 50642 1 122 . 1 . 1 44 44 PHE N N 15 117.796 0.023 . 1 . . 313 . . 44 PHE N . 50642 1 123 . 1 . 1 45 45 ALA H H 1 7.962 0.005 . 1 . . 315 . . 45 ALA H . 50642 1 124 . 1 . 1 45 45 ALA CA C 13 52.994 0.023 . 1 . . 317 . . 45 ALA CA . 50642 1 125 . 1 . 1 45 45 ALA N N 15 119.271 0.023 . 1 . . 316 . . 45 ALA N . 50642 1 126 . 1 . 1 46 46 VAL H H 1 7.684 0.005 . 1 . . 318 . . 46 VAL H . 50642 1 127 . 1 . 1 46 46 VAL CA C 13 60.629 0.014 . 1 . . 561 . . 46 VAL CA . 50642 1 128 . 1 . 1 46 46 VAL N N 15 119.389 0.028 . 1 . . 319 . . 46 VAL N . 50642 1 129 . 1 . 1 47 47 ASN H H 1 8.408 0.012 . 1 . . 562 . . 47 ASN H . 50642 1 130 . 1 . 1 47 47 ASN CA C 13 50.773 . . 1 . . 564 . . 47 ASN CA . 50642 1 131 . 1 . 1 47 47 ASN N N 15 126.067 0.065 . 1 . . 563 . . 47 ASN N . 50642 1 132 . 1 . 1 48 48 PRO CA C 13 64.045 0.012 . 1 . . 322 . . 48 PRO CA . 50642 1 133 . 1 . 1 49 49 GLY H H 1 8.533 0.006 . 1 . . 320 . . 49 GLY H . 50642 1 134 . 1 . 1 49 49 GLY CA C 13 46.258 0.034 . 1 . . 325 . . 49 GLY CA . 50642 1 135 . 1 . 1 49 49 GLY N N 15 106.827 0.128 . 1 . . 321 . . 49 GLY N . 50642 1 136 . 1 . 1 50 50 LEU H H 1 7.813 0.007 . 1 . . 323 . . 50 LEU H . 50642 1 137 . 1 . 1 50 50 LEU CA C 13 56.911 0.044 . 1 . . 326 . . 50 LEU CA . 50642 1 138 . 1 . 1 50 50 LEU N N 15 122.186 0.037 . 1 . . 324 . . 50 LEU N . 50642 1 139 . 1 . 1 51 51 LEU H H 1 7.496 0.006 . 1 . . 327 . . 51 LEU H . 50642 1 140 . 1 . 1 51 51 LEU CA C 13 55.983 0.046 . 1 . . 329 . . 51 LEU CA . 50642 1 141 . 1 . 1 51 51 LEU N N 15 112.776 0.023 . 1 . . 328 . . 51 LEU N . 50642 1 142 . 1 . 1 52 52 GLU H H 1 7.419 0.006 . 1 . . 330 . . 52 GLU H . 50642 1 143 . 1 . 1 52 52 GLU CA C 13 58.269 0.006 . 1 . . 334 . . 52 GLU CA . 50642 1 144 . 1 . 1 52 52 GLU N N 15 114.037 0.067 . 1 . . 331 . . 52 GLU N . 50642 1 145 . 1 . 1 53 53 THR H H 1 7.211 0.008 . 1 . . 332 . . 53 THR H . 50642 1 146 . 1 . 1 53 53 THR CA C 13 57.982 0.021 . 1 . . 335 . . 53 THR CA . 50642 1 147 . 1 . 1 53 53 THR N N 15 103.525 0.052 . 1 . . 333 . . 53 THR N . 50642 1 148 . 1 . 1 54 54 SER H H 1 9.235 0.006 . 1 . . 336 . . 54 SER H . 50642 1 149 . 1 . 1 54 54 SER CA C 13 62.192 0.052 . 1 . . 338 . . 54 SER CA . 50642 1 150 . 1 . 1 54 54 SER N N 15 119.065 0.046 . 1 . . 337 . . 54 SER N . 50642 1 151 . 1 . 1 55 55 GLU H H 1 8.847 0.013 . 1 . . 339 . . 55 GLU H . 50642 1 152 . 1 . 1 55 55 GLU CA C 13 59.353 0.022 . 1 . . 341 . . 55 GLU CA . 50642 1 153 . 1 . 1 55 55 GLU N N 15 121.669 0.031 . 1 . . 340 . . 55 GLU N . 50642 1 154 . 1 . 1 56 56 GLY H H 1 8.495 0.009 . 1 . . 342 . . 56 GLY H . 50642 1 155 . 1 . 1 56 56 GLY CA C 13 47.708 0.017 . 1 . . 344 . . 56 GLY CA . 50642 1 156 . 1 . 1 56 56 GLY N N 15 110.924 0.011 . 1 . . 343 . . 56 GLY N . 50642 1 157 . 1 . 1 57 57 CYS H H 1 8.194 0.003 . 1 . . 345 . . 57 CYS H . 50642 1 158 . 1 . 1 57 57 CYS CA C 13 64.764 0.041 . 1 . . 347 . . 57 CYS CA . 50642 1 159 . 1 . 1 57 57 CYS N N 15 118.872 0.013 . 1 . . 346 . . 57 CYS N . 50642 1 160 . 1 . 1 58 58 ARG H H 1 8.479 0.008 . 1 . . 348 . . 58 ARG H . 50642 1 161 . 1 . 1 58 58 ARG CA C 13 59.635 0.006 . 1 . . 350 . . 58 ARG CA . 50642 1 162 . 1 . 1 58 58 ARG N N 15 119.919 0.014 . 1 . . 349 . . 58 ARG N . 50642 1 163 . 1 . 1 59 59 GLN H H 1 7.993 0.004 . 1 . . 351 . . 59 GLN H . 50642 1 164 . 1 . 1 59 59 GLN CA C 13 58.833 0.03 . 1 . . 353 . . 59 GLN CA . 50642 1 165 . 1 . 1 59 59 GLN N N 15 120.135 0.051 . 1 . . 352 . . 59 GLN N . 50642 1 166 . 1 . 1 60 60 ILE H H 1 8.246 0.008 . 1 . . 354 . . 60 ILE H . 50642 1 167 . 1 . 1 60 60 ILE CA C 13 65.698 0.038 . 1 . . 356 . . 60 ILE CA . 50642 1 168 . 1 . 1 60 60 ILE N N 15 120.632 0.029 . 1 . . 355 . . 60 ILE N . 50642 1 169 . 1 . 1 61 61 LEU H H 1 8.344 0.007 . 1 . . 357 . . 61 LEU H . 50642 1 170 . 1 . 1 61 61 LEU CA C 13 58.411 0.036 . 1 . . 359 . . 61 LEU CA . 50642 1 171 . 1 . 1 61 61 LEU N N 15 118.888 0.027 . 1 . . 358 . . 61 LEU N . 50642 1 172 . 1 . 1 62 62 GLY H H 1 7.750 0.007 . 1 . . 360 . . 62 GLY H . 50642 1 173 . 1 . 1 62 62 GLY CA C 13 46.695 0.005 . 1 . . 362 . . 62 GLY CA . 50642 1 174 . 1 . 1 62 62 GLY N N 15 103.511 0.029 . 1 . . 361 . . 62 GLY N . 50642 1 175 . 1 . 1 63 63 GLN H H 1 7.824 0.007 . 1 . . 363 . . 63 GLN H . 50642 1 176 . 1 . 1 63 63 GLN CA C 13 57.654 0.005 . 1 . . 365 . . 63 GLN CA . 50642 1 177 . 1 . 1 63 63 GLN N N 15 120.019 0.031 . 1 . . 364 . . 63 GLN N . 50642 1 178 . 1 . 1 64 64 LEU H H 1 8.184 0.008 . 1 . . 366 . . 64 LEU H . 50642 1 179 . 1 . 1 64 64 LEU CA C 13 55.322 0.012 . 1 . . 368 . . 64 LEU CA . 50642 1 180 . 1 . 1 64 64 LEU N N 15 117.526 0.048 . 1 . . 367 . . 64 LEU N . 50642 1 181 . 1 . 1 65 65 GLN H H 1 8.037 0.002 . 1 . . 565 . . 65 GLN H . 50642 1 182 . 1 . 1 65 65 GLN CA C 13 60.430 . . 1 . . 567 . . 65 GLN CA . 50642 1 183 . 1 . 1 65 65 GLN N N 15 120.495 0.005 . 1 . . 566 . . 65 GLN N . 50642 1 184 . 1 . 1 66 66 PRO CA C 13 65.527 . . 1 . . 640 . . 66 PRO CA . 50642 1 185 . 1 . 1 67 67 SER H H 1 7.744 0.008 . 1 . . 373 . . 67 SER H . 50642 1 186 . 1 . 1 67 67 SER CA C 13 59.466 0.029 . 1 . . 371 . . 67 SER CA . 50642 1 187 . 1 . 1 67 67 SER N N 15 111.784 0.038 . 1 . . 374 . . 67 SER N . 50642 1 188 . 1 . 1 68 68 LEU H H 1 7.686 0.007 . 1 . . 369 . . 68 LEU H . 50642 1 189 . 1 . 1 68 68 LEU CA C 13 56.432 0.015 . 1 . . 372 . . 68 LEU CA . 50642 1 190 . 1 . 1 68 68 LEU N N 15 122.271 0.021 . 1 . . 370 . . 68 LEU N . 50642 1 191 . 1 . 1 69 69 GLN H H 1 8.116 0.013 . 1 . . 556 . . 69 GLN H . 50642 1 192 . 1 . 1 69 69 GLN CA C 13 56.769 0.02 . 1 . . 558 . . 69 GLN CA . 50642 1 193 . 1 . 1 69 69 GLN N N 15 117.811 0.027 . 1 . . 557 . . 69 GLN N . 50642 1 194 . 1 . 1 70 70 THR H H 1 7.804 0.011 . 1 . . 559 . . 70 THR H . 50642 1 195 . 1 . 1 70 70 THR CA C 13 62.079 0.022 . 1 . . 555 . . 70 THR CA . 50642 1 196 . 1 . 1 70 70 THR N N 15 110.523 0.033 . 1 . . 560 . . 70 THR N . 50642 1 197 . 1 . 1 71 71 GLY H H 1 8.016 0.008 . 1 . . 375 . . 71 GLY H . 50642 1 198 . 1 . 1 71 71 GLY CA C 13 45.274 0.008 . 1 . . 377 . . 71 GLY CA . 50642 1 199 . 1 . 1 71 71 GLY N N 15 110.239 0.047 . 1 . . 376 . . 71 GLY N . 50642 1 200 . 1 . 1 72 72 SER H H 1 8.015 0.008 . 1 . . 378 . . 72 SER H . 50642 1 201 . 1 . 1 72 72 SER CA C 13 57.080 0.02 . 1 . . 380 . . 72 SER CA . 50642 1 202 . 1 . 1 72 72 SER N N 15 114.614 0.023 . 1 . . 379 . . 72 SER N . 50642 1 203 . 1 . 1 73 73 GLU H H 1 9.111 0.011 . 1 . . 381 . . 73 GLU H . 50642 1 204 . 1 . 1 73 73 GLU CA C 13 58.364 0.045 . 1 . . 383 . . 73 GLU CA . 50642 1 205 . 1 . 1 73 73 GLU N N 15 125.910 0.05 . 1 . . 382 . . 73 GLU N . 50642 1 206 . 1 . 1 74 74 GLU H H 1 8.852 0.004 . 1 . . 384 . . 74 GLU H . 50642 1 207 . 1 . 1 74 74 GLU CA C 13 59.436 0.05 . 1 . . 386 . . 74 GLU CA . 50642 1 208 . 1 . 1 74 74 GLU N N 15 120.965 0.03 . 1 . . 385 . . 74 GLU N . 50642 1 209 . 1 . 1 75 75 GLY H H 1 8.398 0.01 . 1 . . 387 . . 75 GLY H . 50642 1 210 . 1 . 1 75 75 GLY CA C 13 46.523 0.011 . 1 . . 391 . . 75 GLY CA . 50642 1 211 . 1 . 1 75 75 GLY N N 15 109.204 0.043 . 1 . . 388 . . 75 GLY N . 50642 1 212 . 1 . 1 76 76 ARG H H 1 7.844 0.006 . 1 . . 392 . . 76 ARG H . 50642 1 213 . 1 . 1 76 76 ARG CA C 13 58.661 0.01 . 1 . . 394 . . 76 ARG CA . 50642 1 214 . 1 . 1 76 76 ARG N N 15 121.795 0.041 . 1 . . 393 . . 76 ARG N . 50642 1 215 . 1 . 1 77 77 SER H H 1 8.532 0.007 . 1 . . 389 . . 77 SER H . 50642 1 216 . 1 . 1 77 77 SER CA C 13 61.843 . . 1 . . 395 . . 77 SER CA . 50642 1 217 . 1 . 1 77 77 SER N N 15 115.056 0.022 . 1 . . 390 . . 77 SER N . 50642 1 218 . 1 . 1 79 79 TYR CA C 13 62.435 0.003 . 1 . . 398 . . 79 TYR CA . 50642 1 219 . 1 . 1 80 80 ASN H H 1 8.857 0.011 . 1 . . 396 . . 80 ASN H . 50642 1 220 . 1 . 1 80 80 ASN CA C 13 55.445 0.02 . 1 . . 399 . . 80 ASN CA . 50642 1 221 . 1 . 1 80 80 ASN N N 15 116.688 0.03 . 1 . . 397 . . 80 ASN N . 50642 1 222 . 1 . 1 81 81 THR H H 1 8.051 0.005 . 1 . . 401 . . 81 THR H . 50642 1 223 . 1 . 1 81 81 THR CA C 13 67.606 0.067 . 1 . . 400 . . 81 THR CA . 50642 1 224 . 1 . 1 81 81 THR N N 15 115.617 0.032 . 1 . . 402 . . 81 THR N . 50642 1 225 . 1 . 1 82 82 ILE H H 1 8.002 0.009 . 1 . . 403 . . 82 ILE H . 50642 1 226 . 1 . 1 82 82 ILE CA C 13 63.633 0.01 . 1 . . 405 . . 82 ILE CA . 50642 1 227 . 1 . 1 82 82 ILE N N 15 121.021 0.038 . 1 . . 404 . . 82 ILE N . 50642 1 228 . 1 . 1 83 83 ALA H H 1 8.733 0.004 . 1 . . 406 . . 83 ALA H . 50642 1 229 . 1 . 1 83 83 ALA CA C 13 55.508 0.019 . 1 . . 408 . . 83 ALA CA . 50642 1 230 . 1 . 1 83 83 ALA N N 15 125.100 0.023 . 1 . . 407 . . 83 ALA N . 50642 1 231 . 1 . 1 84 84 VAL H H 1 7.832 0.007 . 1 . . 409 . . 84 VAL H . 50642 1 232 . 1 . 1 84 84 VAL CA C 13 67.150 0.037 . 1 . . 411 . . 84 VAL CA . 50642 1 233 . 1 . 1 84 84 VAL N N 15 117.636 0.032 . 1 . . 410 . . 84 VAL N . 50642 1 234 . 1 . 1 85 85 LEU H H 1 8.122 0.002 . 1 . . 412 . . 85 LEU H . 50642 1 235 . 1 . 1 85 85 LEU CA C 13 58.028 0.029 . 1 . . 416 . . 85 LEU CA . 50642 1 236 . 1 . 1 85 85 LEU N N 15 122.148 0.073 . 1 . . 413 . . 85 LEU N . 50642 1 237 . 1 . 1 86 86 TYR H H 1 9.046 0.006 . 1 . . 414 . . 86 TYR H . 50642 1 238 . 1 . 1 86 86 TYR CA C 13 62.334 0.057 . 1 . . 417 . . 86 TYR CA . 50642 1 239 . 1 . 1 86 86 TYR N N 15 119.021 0.025 . 1 . . 415 . . 86 TYR N . 50642 1 240 . 1 . 1 87 87 CYS H H 1 7.518 0.004 . 1 . . 418 . . 87 CYS H . 50642 1 241 . 1 . 1 87 87 CYS CA C 13 65.135 0.025 . 1 . . 420 . . 87 CYS CA . 50642 1 242 . 1 . 1 87 87 CYS N N 15 116.118 0.005 . 1 . . 419 . . 87 CYS N . 50642 1 243 . 1 . 1 88 88 VAL H H 1 8.351 0.005 . 1 . . 421 . . 88 VAL H . 50642 1 244 . 1 . 1 88 88 VAL CA C 13 66.251 0.019 . 1 . . 423 . . 88 VAL CA . 50642 1 245 . 1 . 1 88 88 VAL N N 15 120.961 0.083 . 1 . . 422 . . 88 VAL N . 50642 1 246 . 1 . 1 89 89 HIS H H 1 8.798 0.004 . 1 . . 424 . . 89 HIS H . 50642 1 247 . 1 . 1 89 89 HIS CA C 13 57.664 0.037 . 1 . . 428 . . 89 HIS CA . 50642 1 248 . 1 . 1 89 89 HIS N N 15 120.219 0.017 . 1 . . 425 . . 89 HIS N . 50642 1 249 . 1 . 1 90 90 GLN H H 1 7.875 0.009 . 1 . . 426 . . 90 GLN H . 50642 1 250 . 1 . 1 90 90 GLN CA C 13 55.008 0.003 . 1 . . 429 . . 90 GLN CA . 50642 1 251 . 1 . 1 90 90 GLN N N 15 116.308 0.043 . 1 . . 427 . . 90 GLN N . 50642 1 252 . 1 . 1 91 91 ARG H H 1 7.958 0.006 . 1 . . 430 . . 91 ARG H . 50642 1 253 . 1 . 1 91 91 ARG CA C 13 56.786 0.052 . 1 . . 432 . . 91 ARG CA . 50642 1 254 . 1 . 1 91 91 ARG N N 15 115.711 0.037 . 1 . . 431 . . 91 ARG N . 50642 1 255 . 1 . 1 92 92 ILE H H 1 8.331 0.002 . 1 . . 433 . . 92 ILE H . 50642 1 256 . 1 . 1 92 92 ILE CA C 13 60.501 0.006 . 1 . . 435 . . 92 ILE CA . 50642 1 257 . 1 . 1 92 92 ILE N N 15 120.802 0.03 . 1 . . 434 . . 92 ILE N . 50642 1 258 . 1 . 1 93 93 ASP H H 1 8.622 0.006 . 1 . . 436 . . 93 ASP H . 50642 1 259 . 1 . 1 93 93 ASP CA C 13 54.599 0.017 . 1 . . 438 . . 93 ASP CA . 50642 1 260 . 1 . 1 93 93 ASP N N 15 129.297 0.034 . 1 . . 437 . . 93 ASP N . 50642 1 261 . 1 . 1 94 94 VAL H H 1 7.763 0.007 . 1 . . 439 . . 94 VAL H . 50642 1 262 . 1 . 1 94 94 VAL CA C 13 58.984 0.03 . 1 . . 441 . . 94 VAL CA . 50642 1 263 . 1 . 1 94 94 VAL N N 15 116.308 0.023 . 1 . . 440 . . 94 VAL N . 50642 1 264 . 1 . 1 95 95 LYS H H 1 9.253 0.006 . 1 . . 442 . . 95 LYS H . 50642 1 265 . 1 . 1 95 95 LYS CA C 13 56.313 0.029 . 1 . . 444 . . 95 LYS CA . 50642 1 266 . 1 . 1 95 95 LYS N N 15 119.293 0.013 . 1 . . 443 . . 95 LYS N . 50642 1 267 . 1 . 1 96 96 ASP H H 1 7.433 0.005 . 1 . . 445 . . 96 ASP H . 50642 1 268 . 1 . 1 96 96 ASP CA C 13 52.613 0.028 . 1 . . 447 . . 96 ASP CA . 50642 1 269 . 1 . 1 96 96 ASP N N 15 112.322 0.014 . 1 . . 446 . . 96 ASP N . 50642 1 270 . 1 . 1 97 97 THR H H 1 7.246 0.007 . 1 . . 448 . . 97 THR H . 50642 1 271 . 1 . 1 97 97 THR CA C 13 65.671 0.061 . 1 . . 450 . . 97 THR CA . 50642 1 272 . 1 . 1 97 97 THR N N 15 109.621 0.013 . 1 . . 449 . . 97 THR N . 50642 1 273 . 1 . 1 98 98 LYS H H 1 7.897 0.007 . 1 . . 451 . . 98 LYS H . 50642 1 274 . 1 . 1 98 98 LYS CA C 13 59.351 0.033 . 1 . . 453 . . 98 LYS CA . 50642 1 275 . 1 . 1 98 98 LYS N N 15 121.369 0.015 . 1 . . 452 . . 98 LYS N . 50642 1 276 . 1 . 1 99 99 GLU H H 1 8.383 0.004 . 1 . . 454 . . 99 GLU H . 50642 1 277 . 1 . 1 99 99 GLU CA C 13 59.663 0.011 . 1 . . 456 . . 99 GLU CA . 50642 1 278 . 1 . 1 99 99 GLU N N 15 119.486 0.008 . 1 . . 455 . . 99 GLU N . 50642 1 279 . 1 . 1 100 100 ALA H H 1 7.391 0.004 . 1 . . 458 . . 100 ALA H . 50642 1 280 . 1 . 1 100 100 ALA CA C 13 55.031 0.032 . 1 . . 459 . . 100 ALA CA . 50642 1 281 . 1 . 1 100 100 ALA N N 15 119.232 0.016 . 1 . . 457 . . 100 ALA N . 50642 1 282 . 1 . 1 101 101 LEU H H 1 8.151 0.004 . 1 . . 460 . . 101 LEU H . 50642 1 283 . 1 . 1 101 101 LEU CA C 13 57.799 0.028 . 1 . . 462 . . 101 LEU CA . 50642 1 284 . 1 . 1 101 101 LEU N N 15 118.222 0.019 . 1 . . 461 . . 101 LEU N . 50642 1 285 . 1 . 1 102 102 ASP H H 1 8.717 0.006 . 1 . . 463 . . 102 ASP H . 50642 1 286 . 1 . 1 102 102 ASP CA C 13 57.099 0.03 . 1 . . 643 . . 102 ASP CA . 50642 1 287 . 1 . 1 102 102 ASP N N 15 120.744 0.018 . 1 . . 464 . . 102 ASP N . 50642 1 288 . 1 . 1 103 103 LYS H H 1 8.204 0.002 . 1 . . 641 . . 103 LYS H . 50642 1 289 . 1 . 1 103 103 LYS CA C 13 57.873 0.014 . 1 . . 644 . . 103 LYS CA . 50642 1 290 . 1 . 1 103 103 LYS N N 15 120.888 0.013 . 1 . . 642 . . 103 LYS N . 50642 1 291 . 1 . 1 104 104 ILE H H 1 8.180 0.002 . 1 . . 580 . . 104 ILE H . 50642 1 292 . 1 . 1 104 104 ILE CA C 13 64.486 . . 1 . . 582 . . 104 ILE CA . 50642 1 293 . 1 . 1 104 104 ILE N N 15 120.473 0.083 . 1 . . 581 . . 104 ILE N . 50642 1 294 . 1 . 1 105 105 GLU H H 1 8.030 0.005 . 1 . . 465 . . 105 GLU H . 50642 1 295 . 1 . 1 105 105 GLU CA C 13 59.226 0.049 . 1 . . 469 . . 105 GLU CA . 50642 1 296 . 1 . 1 105 105 GLU N N 15 121.719 0.018 . 1 . . 466 . . 105 GLU N . 50642 1 297 . 1 . 1 106 106 GLU H H 1 8.041 0.001 . 1 . . 467 . . 106 GLU H . 50642 1 298 . 1 . 1 106 106 GLU CA C 13 59.069 0.01 . 1 . . 470 . . 106 GLU CA . 50642 1 299 . 1 . 1 106 106 GLU N N 15 119.549 0.004 . 1 . . 468 . . 106 GLU N . 50642 1 300 . 1 . 1 107 107 GLU H H 1 8.015 0.005 . 1 . . 471 . . 107 GLU H . 50642 1 301 . 1 . 1 107 107 GLU CA C 13 59.108 0.019 . 1 . . 645 . . 107 GLU CA . 50642 1 302 . 1 . 1 107 107 GLU N N 15 119.330 0.073 . 1 . . 472 . . 107 GLU N . 50642 1 303 . 1 . 1 108 108 GLN H H 1 8.275 0.003 . 1 . . 568 . . 108 GLN H . 50642 1 304 . 1 . 1 108 108 GLN CA C 13 57.830 0.002 . 1 . . 649 . . 108 GLN CA . 50642 1 305 . 1 . 1 108 108 GLN N N 15 118.604 0.023 . 1 . . 569 . . 108 GLN N . 50642 1 306 . 1 . 1 109 109 ASN H H 1 8.280 0.001 . 1 . . 647 . . 109 ASN H . 50642 1 307 . 1 . 1 109 109 ASN CA C 13 54.705 0.007 . 1 . . 646 . . 109 ASN CA . 50642 1 308 . 1 . 1 109 109 ASN N N 15 118.324 0.02 . 1 . . 648 . . 109 ASN N . 50642 1 309 . 1 . 1 110 110 LYS H H 1 8.054 0.0 . 1 . . 584 . . 110 LYS H . 50642 1 310 . 1 . 1 110 110 LYS CA C 13 58.346 0.013 . 1 . . 583 . . 110 LYS CA . 50642 1 311 . 1 . 1 110 110 LYS N N 15 120.520 0.005 . 1 . . 585 . . 110 LYS N . 50642 1 312 . 1 . 1 111 111 SER H H 1 8.017 0.015 . 1 . . 574 . . 111 SER H . 50642 1 313 . 1 . 1 111 111 SER CA C 13 59.572 0.015 . 1 . . 572 . . 111 SER CA . 50642 1 314 . 1 . 1 111 111 SER N N 15 114.640 0.017 . 1 . . 575 . . 111 SER N . 50642 1 315 . 1 . 1 112 112 LYS H H 1 7.944 0.008 . 1 . . 570 . . 112 LYS H . 50642 1 316 . 1 . 1 112 112 LYS CA C 13 57.154 0.011 . 1 . . 573 . . 112 LYS CA . 50642 1 317 . 1 . 1 112 112 LYS N N 15 122.364 0.02 . 1 . . 571 . . 112 LYS N . 50642 1 318 . 1 . 1 113 113 LYS H H 1 8.018 0.001 . 1 . . 588 . . 113 LYS H . 50642 1 319 . 1 . 1 113 113 LYS CA C 13 56.843 0.024 . 1 . . 590 . . 113 LYS CA . 50642 1 320 . 1 . 1 113 113 LYS N N 15 121.002 0.009 . 1 . . 589 . . 113 LYS N . 50642 1 321 . 1 . 1 114 114 LYS H H 1 8.127 0.007 . 1 . . 591 . . 114 LYS H . 50642 1 322 . 1 . 1 114 114 LYS CA C 13 56.729 0.017 . 1 . . 594 . . 114 LYS CA . 50642 1 323 . 1 . 1 114 114 LYS N N 15 121.808 0.016 . 1 . . 592 . . 114 LYS N . 50642 1 324 . 1 . 1 115 115 ALA H H 1 8.181 0.006 . 1 . . 586 . . 115 ALA H . 50642 1 325 . 1 . 1 115 115 ALA CA C 13 52.738 0.012 . 1 . . 593 . . 115 ALA CA . 50642 1 326 . 1 . 1 115 115 ALA N N 15 124.445 0.076 . 1 . . 587 . . 115 ALA N . 50642 1 327 . 1 . 1 116 116 GLN H H 1 8.231 0.007 . 1 . . 595 . . 116 GLN H . 50642 1 328 . 1 . 1 116 116 GLN CA C 13 56.071 0.004 . 1 . . 597 . . 116 GLN CA . 50642 1 329 . 1 . 1 116 116 GLN N N 15 119.251 0.014 . 1 . . 596 . . 116 GLN N . 50642 1 330 . 1 . 1 117 117 GLN H H 1 8.275 0.007 . 1 . . 602 . . 117 GLN H . 50642 1 331 . 1 . 1 117 117 GLN CA C 13 55.922 0.026 . 1 . . 600 . . 117 GLN CA . 50642 1 332 . 1 . 1 117 117 GLN N N 15 121.325 0.023 . 1 . . 603 . . 117 GLN N . 50642 1 333 . 1 . 1 118 118 ALA H H 1 8.280 0.007 . 1 . . 598 . . 118 ALA H . 50642 1 334 . 1 . 1 118 118 ALA CA C 13 52.418 0.009 . 1 . . 601 . . 118 ALA CA . 50642 1 335 . 1 . 1 118 118 ALA N N 15 125.135 0.025 . 1 . . 599 . . 118 ALA N . 50642 1 336 . 1 . 1 119 119 ALA H H 1 8.170 0.007 . 1 . . 604 . . 119 ALA H . 50642 1 337 . 1 . 1 119 119 ALA CA C 13 52.324 0.023 . 1 . . 606 . . 119 ALA CA . 50642 1 338 . 1 . 1 119 119 ALA N N 15 123.153 0.001 . 1 . . 605 . . 119 ALA N . 50642 1 339 . 1 . 1 120 120 ALA H H 1 8.169 0.007 . 1 . . 607 . . 120 ALA H . 50642 1 340 . 1 . 1 120 120 ALA CA C 13 52.322 0.006 . 1 . . 609 . . 120 ALA CA . 50642 1 341 . 1 . 1 120 120 ALA N N 15 122.794 0.001 . 1 . . 608 . . 120 ALA N . 50642 1 342 . 1 . 1 121 121 ASP H H 1 8.260 0.007 . 1 . . 610 . . 121 ASP H . 50642 1 343 . 1 . 1 121 121 ASP CA C 13 54.076 0.007 . 1 . . 612 . . 121 ASP CA . 50642 1 344 . 1 . 1 121 121 ASP N N 15 119.536 0.017 . 1 . . 611 . . 121 ASP N . 50642 1 345 . 1 . 1 122 122 THR H H 1 8.088 0.007 . 1 . . 613 . . 122 THR H . 50642 1 346 . 1 . 1 122 122 THR CA C 13 61.845 0.003 . 1 . . 615 . . 122 THR CA . 50642 1 347 . 1 . 1 122 122 THR N N 15 113.699 0.012 . 1 . . 614 . . 122 THR N . 50642 1 348 . 1 . 1 123 123 GLY H H 1 8.434 0.008 . 1 . . 616 . . 123 GLY H . 50642 1 349 . 1 . 1 123 123 GLY CA C 13 45.331 0.016 . 1 . . 618 . . 123 GLY CA . 50642 1 350 . 1 . 1 123 123 GLY N N 15 110.720 0.01 . 1 . . 617 . . 123 GLY N . 50642 1 351 . 1 . 1 124 124 ASN H H 1 8.275 0.001 . 1 . . 619 . . 124 ASN H . 50642 1 352 . 1 . 1 124 124 ASN CA C 13 53.067 0.027 . 1 . . 621 . . 124 ASN CA . 50642 1 353 . 1 . 1 124 124 ASN N N 15 118.612 0.047 . 1 . . 620 . . 124 ASN N . 50642 1 354 . 1 . 1 125 125 ASN H H 1 8.452 0.01 . 1 . . 622 . . 125 ASN H . 50642 1 355 . 1 . 1 125 125 ASN CA C 13 53.234 0.027 . 1 . . 624 . . 125 ASN CA . 50642 1 356 . 1 . 1 125 125 ASN N N 15 119.360 0.02 . 1 . . 623 . . 125 ASN N . 50642 1 357 . 1 . 1 126 126 SER H H 1 8.275 0.007 . 1 . . 625 . . 126 SER H . 50642 1 358 . 1 . 1 126 126 SER CA C 13 58.667 0.031 . 1 . . 627 . . 126 SER CA . 50642 1 359 . 1 . 1 126 126 SER N N 15 115.963 0.019 . 1 . . 626 . . 126 SER N . 50642 1 360 . 1 . 1 127 127 GLN H H 1 8.367 0.0 . 1 . . 628 . . 127 GLN H . 50642 1 361 . 1 . 1 127 127 GLN CA C 13 55.918 0.014 . 1 . . 630 . . 127 GLN CA . 50642 1 362 . 1 . 1 127 127 GLN N N 15 121.871 0.002 . 1 . . 629 . . 127 GLN N . 50642 1 363 . 1 . 1 128 128 VAL H H 1 8.005 0.008 . 1 . . 631 . . 128 VAL H . 50642 1 364 . 1 . 1 128 128 VAL CA C 13 62.367 0.01 . 1 . . 633 . . 128 VAL CA . 50642 1 365 . 1 . 1 128 128 VAL N N 15 120.000 0.062 . 1 . . 632 . . 128 VAL N . 50642 1 366 . 1 . 1 129 129 SER H H 1 8.258 0.001 . 1 . . 634 . . 129 SER H . 50642 1 367 . 1 . 1 129 129 SER CA C 13 58.269 . . 1 . . 636 . . 129 SER CA . 50642 1 368 . 1 . 1 129 129 SER N N 15 118.603 0.01 . 1 . . 635 . . 129 SER N . 50642 1 369 . 1 . 1 132 132 TYR H H 1 7.969 0.008 . 1 . . 637 . . 132 TYR H . 50642 1 370 . 1 . 1 132 132 TYR CA C 13 57.876 . . 1 . . 639 . . 132 TYR CA . 50642 1 371 . 1 . 1 132 132 TYR N N 15 120.534 0.019 . 1 . . 638 . . 132 TYR N . 50642 1 stop_ save_