################################### # 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 51763 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MITFcterm chemical shifts' _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' . . . 51763 1 2 '3D HNCACB' . . . 51763 1 3 '3D CBCACONH' . . . 51763 1 4 '3D HNCO' . . . 51763 1 5 '3D HNCACO' . . . 51763 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 . . 51763 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 3 3 GLU H H 1 8.869 0.001 . 1 . . 454 . . 3 GLU H . 51763 1 2 . 1 . 1 3 3 GLU C C 13 176.810 . . 1 . . 456 . . 3 GLU C . 51763 1 3 . 1 . 1 3 3 GLU CA C 13 57.513 . . 1 . . 458 . . 3 GLU CA . 51763 1 4 . 1 . 1 3 3 GLU CB C 13 29.610 . . 1 . . 457 . . 3 GLU CB . 51763 1 5 . 1 . 1 3 3 GLU N N 15 123.303 0.003 . 1 . . 455 . . 3 GLU N . 51763 1 6 . 1 . 1 4 4 MET H H 1 8.339 0.0 . 1 . . 65 . . 4 MET H . 51763 1 7 . 1 . 1 4 4 MET C C 13 176.531 0.005 . 1 . . 451 . . 4 MET C . 51763 1 8 . 1 . 1 4 4 MET CA C 13 56.159 0.03 . 1 . . 452 . . 4 MET CA . 51763 1 9 . 1 . 1 4 4 MET CB C 13 32.582 0.005 . 1 . . 453 . . 4 MET CB . 51763 1 10 . 1 . 1 4 4 MET N N 15 120.690 0.002 . 1 . . 66 . . 4 MET N . 51763 1 11 . 1 . 1 5 5 GLN H H 1 8.242 0.021 . 1 . . 17 . . 5 GLN H . 51763 1 12 . 1 . 1 5 5 GLN C C 13 175.920 0.0 . 1 . . 450 . . 5 GLN C . 51763 1 13 . 1 . 1 5 5 GLN CA C 13 56.266 0.037 . 1 . . 449 . . 5 GLN CA . 51763 1 14 . 1 . 1 5 5 GLN CB C 13 29.352 0.007 . 1 . . 448 . . 5 GLN CB . 51763 1 15 . 1 . 1 5 5 GLN N N 15 121.145 0.099 . 1 . . 18 . . 5 GLN N . 51763 1 16 . 1 . 1 6 6 ALA H H 1 8.209 0.001 . 1 . . 175 . . 6 ALA H . 51763 1 17 . 1 . 1 6 6 ALA C C 13 177.851 0.009 . 1 . . 445 . . 6 ALA C . 51763 1 18 . 1 . 1 6 6 ALA CA C 13 52.973 0.002 . 1 . . 446 . . 6 ALA CA . 51763 1 19 . 1 . 1 6 6 ALA CB C 13 19.133 0.001 . 1 . . 447 . . 6 ALA CB . 51763 1 20 . 1 . 1 6 6 ALA N N 15 124.713 0.007 . 1 . . 176 . . 6 ALA N . 51763 1 21 . 1 . 1 7 7 ARG H H 1 8.148 0.001 . 1 . . 125 . . 7 ARG H . 51763 1 22 . 1 . 1 7 7 ARG C C 13 176.172 0.0 . 1 . . 441 . . 7 ARG C . 51763 1 23 . 1 . 1 7 7 ARG CA C 13 56.193 0.018 . 1 . . 443 . . 7 ARG CA . 51763 1 24 . 1 . 1 7 7 ARG CB C 13 30.882 0.02 . 1 . . 442 . . 7 ARG CB . 51763 1 25 . 1 . 1 7 7 ARG N N 15 119.607 0.012 . 1 . . 126 . . 7 ARG N . 51763 1 26 . 1 . 1 8 8 ALA H H 1 8.154 0.001 . 1 . . 438 . . 8 ALA H . 51763 1 27 . 1 . 1 8 8 ALA C C 13 177.509 0.001 . 1 . . 439 . . 8 ALA C . 51763 1 28 . 1 . 1 8 8 ALA CA C 13 52.737 0.007 . 1 . . 440 . . 8 ALA CA . 51763 1 29 . 1 . 1 8 8 ALA CB C 13 19.212 . . 1 . . 444 . . 8 ALA CB . 51763 1 30 . 1 . 1 8 8 ALA N N 15 124.378 0.027 . 1 . . 437 . . 8 ALA N . 51763 1 31 . 1 . 1 9 9 HIS H H 1 8.288 0.001 . 1 . . 69 . . 9 HIS H . 51763 1 32 . 1 . 1 9 9 HIS C C 13 175.308 . . 1 . . 434 . . 9 HIS C . 51763 1 33 . 1 . 1 9 9 HIS CA C 13 56.087 . . 1 . . 435 . . 9 HIS CA . 51763 1 34 . 1 . 1 9 9 HIS CB C 13 29.833 . . 1 . . 436 . . 9 HIS CB . 51763 1 35 . 1 . 1 9 9 HIS N N 15 117.606 0.017 . 1 . . 70 . . 9 HIS N . 51763 1 36 . 1 . 1 10 10 GLY H H 1 8.325 0.001 . 1 . . 418 . . 10 GLY H . 51763 1 37 . 1 . 1 10 10 GLY C C 13 174.001 0.018 . 1 . . 416 . . 10 GLY C . 51763 1 38 . 1 . 1 10 10 GLY CA C 13 45.523 . . 1 . . 419 . . 10 GLY CA . 51763 1 39 . 1 . 1 10 10 GLY N N 15 109.562 0.013 . 1 . . 417 . . 10 GLY N . 51763 1 40 . 1 . 1 11 11 LEU H H 1 8.106 0.002 . 1 . . 117 . . 11 LEU H . 51763 1 41 . 1 . 1 11 11 LEU C C 13 177.331 . . 1 . . 420 . . 11 LEU C . 51763 1 42 . 1 . 1 11 11 LEU CA C 13 55.085 0.016 . 1 . . 422 . . 11 LEU CA . 51763 1 43 . 1 . 1 11 11 LEU CB C 13 42.635 0.004 . 1 . . 421 . . 11 LEU CB . 51763 1 44 . 1 . 1 11 11 LEU N N 15 121.647 0.009 . 1 . . 118 . . 11 LEU N . 51763 1 45 . 1 . 1 12 12 SER H H 1 8.252 0.001 . 1 . . 209 . . 12 SER H . 51763 1 46 . 1 . 1 12 12 SER C C 13 174.109 0.017 . 1 . . 425 . . 12 SER C . 51763 1 47 . 1 . 1 12 12 SER CA C 13 58.337 0.008 . 1 . . 423 . . 12 SER CA . 51763 1 48 . 1 . 1 12 12 SER CB C 13 63.892 0.005 . 1 . . 424 . . 12 SER CB . 51763 1 49 . 1 . 1 12 12 SER N N 15 116.382 0.019 . 1 . . 210 . . 12 SER N . 51763 1 50 . 1 . 1 13 13 LEU H H 1 8.172 0.001 . 1 . . 427 . . 13 LEU H . 51763 1 51 . 1 . 1 13 13 LEU C C 13 176.758 0.008 . 1 . . 428 . . 13 LEU C . 51763 1 52 . 1 . 1 13 13 LEU CA C 13 55.136 0.009 . 1 . . 429 . . 13 LEU CA . 51763 1 53 . 1 . 1 13 13 LEU CB C 13 42.394 0.084 . 1 . . 430 . . 13 LEU CB . 51763 1 54 . 1 . 1 13 13 LEU N N 15 124.024 0.041 . 1 . . 426 . . 13 LEU N . 51763 1 55 . 1 . 1 14 14 ILE H H 1 8.046 0.001 . 1 . . 165 . . 14 ILE H . 51763 1 56 . 1 . 1 14 14 ILE C C 13 176.034 . . 1 . . 431 . . 14 ILE C . 51763 1 57 . 1 . 1 14 14 ILE CA C 13 58.608 . . 1 . . 433 . . 14 ILE CA . 51763 1 58 . 1 . 1 14 14 ILE CB C 13 38.699 . . 1 . . 432 . . 14 ILE CB . 51763 1 59 . 1 . 1 14 14 ILE N N 15 122.868 0.06 . 1 . . 166 . . 14 ILE N . 51763 1 60 . 1 . 1 15 15 PRO C C 13 177.035 . . 1 . . 331 . . 15 PRO C . 51763 1 61 . 1 . 1 15 15 PRO CA C 13 63.334 . . 1 . . 328 . . 15 PRO CA . 51763 1 62 . 1 . 1 15 15 PRO CB C 13 32.276 . . 1 . . 329 . . 15 PRO CB . 51763 1 63 . 1 . 1 16 16 SER H H 1 8.402 0.001 . 1 . . 87 . . 16 SER H . 51763 1 64 . 1 . 1 16 16 SER C C 13 175.050 . . 1 . . 330 . . 16 SER C . 51763 1 65 . 1 . 1 16 16 SER CA C 13 58.720 . . 1 . . 326 . . 16 SER CA . 51763 1 66 . 1 . 1 16 16 SER CB C 13 63.931 . . 1 . . 327 . . 16 SER CB . 51763 1 67 . 1 . 1 16 16 SER N N 15 116.003 0.008 . 1 . . 88 . . 16 SER N . 51763 1 68 . 1 . 1 17 17 THR H H 1 8.025 0.002 . 1 . . 159 . . 17 THR H . 51763 1 69 . 1 . 1 17 17 THR C C 13 175.104 0.011 . 1 . . 314 . . 17 THR C . 51763 1 70 . 1 . 1 17 17 THR CA C 13 62.108 0.094 . 1 . . 312 . . 17 THR CA . 51763 1 71 . 1 . 1 17 17 THR CB C 13 69.859 0.031 . 1 . . 313 . . 17 THR CB . 51763 1 72 . 1 . 1 17 17 THR N N 15 114.361 0.008 . 1 . . 160 . . 17 THR N . 51763 1 73 . 1 . 1 18 18 GLY H H 1 8.324 0.001 . 1 . . 15 . . 18 GLY H . 51763 1 74 . 1 . 1 18 18 GLY C C 13 173.904 0.0 . 1 . . 316 . . 18 GLY C . 51763 1 75 . 1 . 1 18 18 GLY CA C 13 45.422 0.001 . 1 . . 315 . . 18 GLY CA . 51763 1 76 . 1 . 1 18 18 GLY N N 15 110.484 0.015 . 1 . . 16 . . 18 GLY N . 51763 1 77 . 1 . 1 19 19 LEU H H 1 8.043 0.001 . 1 . . 3 . . 19 LEU H . 51763 1 78 . 1 . 1 19 19 LEU C C 13 177.179 0.001 . 1 . . 317 . . 19 LEU C . 51763 1 79 . 1 . 1 19 19 LEU CA C 13 55.210 0.041 . 1 . . 319 . . 19 LEU CA . 51763 1 80 . 1 . 1 19 19 LEU CB C 13 42.529 0.014 . 1 . . 318 . . 19 LEU CB . 51763 1 81 . 1 . 1 19 19 LEU N N 15 121.395 0.004 . 1 . . 4 . . 19 LEU N . 51763 1 82 . 1 . 1 20 20 CYS H H 1 8.307 0.001 . 1 . . 49 . . 20 CYS H . 51763 1 83 . 1 . 1 20 20 CYS C C 13 174.107 0.004 . 1 . . 322 . . 20 CYS C . 51763 1 84 . 1 . 1 20 20 CYS CA C 13 58.120 0.015 . 1 . . 320 . . 20 CYS CA . 51763 1 85 . 1 . 1 20 20 CYS CB C 13 28.203 0.031 . 1 . . 321 . . 20 CYS CB . 51763 1 86 . 1 . 1 20 20 CYS N N 15 119.537 0.007 . 1 . . 50 . . 20 CYS N . 51763 1 87 . 1 . 1 21 21 SER H H 1 8.262 0.001 . 1 . . 101 . . 21 SER H . 51763 1 88 . 1 . 1 21 21 SER C C 13 173.364 . . 1 . . 325 . . 21 SER C . 51763 1 89 . 1 . 1 21 21 SER CA C 13 56.472 . . 1 . . 324 . . 21 SER CA . 51763 1 90 . 1 . 1 21 21 SER CB C 13 63.629 . . 1 . . 323 . . 21 SER CB . 51763 1 91 . 1 . 1 21 21 SER N N 15 118.951 0.011 . 1 . . 102 . . 21 SER N . 51763 1 92 . 1 . 1 22 22 PRO C C 13 176.746 . . 1 . . 501 . . 22 PRO C . 51763 1 93 . 1 . 1 22 22 PRO CA C 13 64.081 . . 1 . . 499 . . 22 PRO CA . 51763 1 94 . 1 . 1 22 22 PRO CB C 13 32.025 . . 1 . . 497 . . 22 PRO CB . 51763 1 95 . 1 . 1 23 23 ASP H H 1 8.253 0.001 . 1 . . 191 . . 23 ASP H . 51763 1 96 . 1 . 1 23 23 ASP C C 13 176.467 0.001 . 1 . . 500 . . 23 ASP C . 51763 1 97 . 1 . 1 23 23 ASP CA C 13 54.787 0.0 . 1 . . 498 . . 23 ASP CA . 51763 1 98 . 1 . 1 23 23 ASP CB C 13 40.886 0.021 . 1 . . 496 . . 23 ASP CB . 51763 1 99 . 1 . 1 23 23 ASP N N 15 118.318 0.011 . 1 . . 192 . . 23 ASP N . 51763 1 100 . 1 . 1 24 24 LEU H H 1 7.930 0.001 . 1 . . 7 . . 24 LEU H . 51763 1 101 . 1 . 1 24 24 LEU C C 13 177.647 0.0 . 1 . . 502 . . 24 LEU C . 51763 1 102 . 1 . 1 24 24 LEU CA C 13 55.779 0.026 . 1 . . 504 . . 24 LEU CA . 51763 1 103 . 1 . 1 24 24 LEU CB C 13 42.306 0.032 . 1 . . 503 . . 24 LEU CB . 51763 1 104 . 1 . 1 24 24 LEU N N 15 121.312 0.01 . 1 . . 8 . . 24 LEU N . 51763 1 105 . 1 . 1 25 25 VAL H H 1 7.815 0.002 . 1 . . 163 . . 25 VAL H . 51763 1 106 . 1 . 1 25 25 VAL C C 13 176.096 . . 1 . . 505 . . 25 VAL C . 51763 1 107 . 1 . 1 25 25 VAL CA C 13 63.349 0.012 . 1 . . 506 . . 25 VAL CA . 51763 1 108 . 1 . 1 25 25 VAL CB C 13 32.544 0.001 . 1 . . 507 . . 25 VAL CB . 51763 1 109 . 1 . 1 25 25 VAL N N 15 119.036 0.031 . 1 . . 164 . . 25 VAL N . 51763 1 110 . 1 . 1 26 26 ASN H H 1 8.279 0.001 . 1 . . 113 . . 26 ASN H . 51763 1 111 . 1 . 1 26 26 ASN C C 13 174.995 0.002 . 1 . . 510 . . 26 ASN C . 51763 1 112 . 1 . 1 26 26 ASN CA C 13 53.595 0.066 . 1 . . 509 . . 26 ASN CA . 51763 1 113 . 1 . 1 26 26 ASN CB C 13 38.815 0.011 . 1 . . 508 . . 26 ASN CB . 51763 1 114 . 1 . 1 26 26 ASN N N 15 120.451 0.044 . 1 . . 114 . . 26 ASN N . 51763 1 115 . 1 . 1 27 27 ARG H H 1 8.023 0.001 . 1 . . 121 . . 27 ARG H . 51763 1 116 . 1 . 1 27 27 ARG C C 13 175.923 0.002 . 1 . . 511 . . 27 ARG C . 51763 1 117 . 1 . 1 27 27 ARG CA C 13 56.342 0.001 . 1 . . 512 . . 27 ARG CA . 51763 1 118 . 1 . 1 27 27 ARG CB C 13 30.921 0.011 . 1 . . 513 . . 27 ARG CB . 51763 1 119 . 1 . 1 27 27 ARG N N 15 120.767 0.012 . 1 . . 122 . . 27 ARG N . 51763 1 120 . 1 . 1 28 28 ILE H H 1 8.073 0.001 . 1 . . 31 . . 28 ILE H . 51763 1 121 . 1 . 1 28 28 ILE C C 13 176.125 0.001 . 1 . . 516 . . 28 ILE C . 51763 1 122 . 1 . 1 28 28 ILE CA C 13 61.294 . . 1 . . 515 . . 28 ILE CA . 51763 1 123 . 1 . 1 28 28 ILE CB C 13 38.552 . . 1 . . 514 . . 28 ILE CB . 51763 1 124 . 1 . 1 28 28 ILE N N 15 121.748 0.007 . 1 . . 32 . . 28 ILE N . 51763 1 125 . 1 . 1 29 29 ILE H H 1 8.154 0.0 . 1 . . 155 . . 29 ILE H . 51763 1 126 . 1 . 1 29 29 ILE C C 13 175.864 0.01 . 1 . . 519 . . 29 ILE C . 51763 1 127 . 1 . 1 29 29 ILE CA C 13 61.051 0.043 . 1 . . 518 . . 29 ILE CA . 51763 1 128 . 1 . 1 29 29 ILE CB C 13 38.622 0.004 . 1 . . 517 . . 29 ILE CB . 51763 1 129 . 1 . 1 29 29 ILE N N 15 125.122 0.045 . 1 . . 156 . . 29 ILE N . 51763 1 130 . 1 . 1 30 30 LYS H H 1 8.277 0.0 . 1 . . 127 . . 30 LYS H . 51763 1 131 . 1 . 1 30 30 LYS C C 13 175.891 0.0 . 1 . . 522 . . 30 LYS C . 51763 1 132 . 1 . 1 30 30 LYS CA C 13 56.207 0.009 . 1 . . 520 . . 30 LYS CA . 51763 1 133 . 1 . 1 30 30 LYS CB C 13 33.198 0.012 . 1 . . 521 . . 30 LYS CB . 51763 1 134 . 1 . 1 30 30 LYS N N 15 125.615 0.014 . 1 . . 128 . . 30 LYS N . 51763 1 135 . 1 . 1 31 31 GLN H H 1 8.343 0.001 . 1 . . 71 . . 31 GLN H . 51763 1 136 . 1 . 1 31 31 GLN C C 13 175.447 0.001 . 1 . . 523 . . 31 GLN C . 51763 1 137 . 1 . 1 31 31 GLN CA C 13 56.019 . . 1 . . 525 . . 31 GLN CA . 51763 1 138 . 1 . 1 31 31 GLN CB C 13 29.739 0.006 . 1 . . 524 . . 31 GLN CB . 51763 1 139 . 1 . 1 31 31 GLN N N 15 122.297 0.022 . 1 . . 72 . . 31 GLN N . 51763 1 140 . 1 . 1 32 32 GLU H H 1 8.390 0.001 . 1 . . 203 . . 32 GLU H . 51763 1 141 . 1 . 1 32 32 GLU C C 13 174.463 . . 1 . . 528 . . 32 GLU C . 51763 1 142 . 1 . 1 32 32 GLU CA C 13 54.536 . . 1 . . 527 . . 32 GLU CA . 51763 1 143 . 1 . 1 32 32 GLU CB C 13 29.746 . . 1 . . 526 . . 32 GLU CB . 51763 1 144 . 1 . 1 32 32 GLU N N 15 124.018 0.012 . 1 . . 204 . . 32 GLU N . 51763 1 145 . 1 . 1 33 33 PRO C C 13 176.602 . . 1 . . 564 . . 33 PRO C . 51763 1 146 . 1 . 1 33 33 PRO CA C 13 63.139 . . 1 . . 560 . . 33 PRO CA . 51763 1 147 . 1 . 1 33 33 PRO CB C 13 32.083 . . 1 . . 562 . . 33 PRO CB . 51763 1 148 . 1 . 1 34 34 VAL H H 1 8.148 0.001 . 1 . . 111 . . 34 VAL H . 51763 1 149 . 1 . 1 34 34 VAL C C 13 176.087 . . 1 . . 563 . . 34 VAL C . 51763 1 150 . 1 . 1 34 34 VAL CA C 13 62.361 0.016 . 1 . . 559 . . 34 VAL CA . 51763 1 151 . 1 . 1 34 34 VAL CB C 13 32.717 0.006 . 1 . . 561 . . 34 VAL CB . 51763 1 152 . 1 . 1 34 34 VAL N N 15 120.464 0.016 . 1 . . 112 . . 34 VAL N . 51763 1 153 . 1 . 1 35 35 LEU H H 1 8.279 0.0 . 1 . . 11 . . 35 LEU H . 51763 1 154 . 1 . 1 35 35 LEU C C 13 177.151 0.0 . 1 . . 558 . . 35 LEU C . 51763 1 155 . 1 . 1 35 35 LEU CA C 13 55.047 0.04 . 1 . . 557 . . 35 LEU CA . 51763 1 156 . 1 . 1 35 35 LEU CB C 13 42.459 . . 1 . . 556 . . 35 LEU CB . 51763 1 157 . 1 . 1 35 35 LEU N N 15 126.293 0.018 . 1 . . 12 . . 35 LEU N . 51763 1 158 . 1 . 1 36 36 GLU H H 1 8.348 0.0 . 1 . . 75 . . 36 GLU H . 51763 1 159 . 1 . 1 36 36 GLU C C 13 176.131 . . 1 . . 553 . . 36 GLU C . 51763 1 160 . 1 . 1 36 36 GLU CA C 13 56.644 . . 1 . . 555 . . 36 GLU CA . 51763 1 161 . 1 . 1 36 36 GLU CB C 13 30.472 . . 1 . . 554 . . 36 GLU CB . 51763 1 162 . 1 . 1 36 36 GLU N N 15 121.584 0.022 . 1 . . 76 . . 36 GLU N . 51763 1 163 . 1 . 1 37 37 ASN H H 1 8.455 0.001 . 1 . . 157 . . 37 ASN H . 51763 1 164 . 1 . 1 37 37 ASN C C 13 175.139 . . 1 . . 552 . . 37 ASN C . 51763 1 165 . 1 . 1 37 37 ASN CA C 13 53.354 0.021 . 1 . . 551 . . 37 ASN CA . 51763 1 166 . 1 . 1 37 37 ASN CB C 13 38.892 0.009 . 1 . . 550 . . 37 ASN CB . 51763 1 167 . 1 . 1 37 37 ASN N N 15 119.217 0.048 . 1 . . 158 . . 37 ASN N . 51763 1 168 . 1 . 1 38 38 CYS H H 1 8.296 0.001 . 1 . . 21 . . 38 CYS H . 51763 1 169 . 1 . 1 38 38 CYS C C 13 174.654 . . 1 . . 547 . . 38 CYS C . 51763 1 170 . 1 . 1 38 38 CYS CA C 13 58.554 0.009 . 1 . . 548 . . 38 CYS CA . 51763 1 171 . 1 . 1 38 38 CYS CB C 13 28.145 0.01 . 1 . . 549 . . 38 CYS CB . 51763 1 172 . 1 . 1 38 38 CYS N N 15 119.173 0.034 . 1 . . 22 . . 38 CYS N . 51763 1 173 . 1 . 1 39 39 SER H H 1 8.359 0.001 . 1 . . 45 . . 39 SER H . 51763 1 174 . 1 . 1 39 39 SER C C 13 174.929 0.006 . 1 . . 546 . . 39 SER C . 51763 1 175 . 1 . 1 39 39 SER CA C 13 58.906 0.01 . 1 . . 544 . . 39 SER CA . 51763 1 176 . 1 . 1 39 39 SER CB C 13 63.836 0.049 . 1 . . 545 . . 39 SER CB . 51763 1 177 . 1 . 1 39 39 SER N N 15 117.938 0.006 . 1 . . 46 . . 39 SER N . 51763 1 178 . 1 . 1 40 40 GLN H H 1 8.426 0.001 . 1 . . 105 . . 40 GLN H . 51763 1 179 . 1 . 1 40 40 GLN C C 13 176.020 0.001 . 1 . . 529 . . 40 GLN C . 51763 1 180 . 1 . 1 40 40 GLN CA C 13 56.608 0.014 . 1 . . 530 . . 40 GLN CA . 51763 1 181 . 1 . 1 40 40 GLN CB C 13 29.316 0.007 . 1 . . 531 . . 40 GLN CB . 51763 1 182 . 1 . 1 40 40 GLN N N 15 122.085 0.012 . 1 . . 106 . . 40 GLN N . 51763 1 183 . 1 . 1 41 41 ASP H H 1 8.271 0.0 . 1 . . 93 . . 41 ASP H . 51763 1 184 . 1 . 1 41 41 ASP C C 13 176.666 0.008 . 1 . . 532 . . 41 ASP C . 51763 1 185 . 1 . 1 41 41 ASP CA C 13 54.963 0.0 . 1 . . 533 . . 41 ASP CA . 51763 1 186 . 1 . 1 41 41 ASP CB C 13 41.023 0.002 . 1 . . 534 . . 41 ASP CB . 51763 1 187 . 1 . 1 41 41 ASP N N 15 120.479 0.029 . 1 . . 94 . . 41 ASP N . 51763 1 188 . 1 . 1 42 42 LEU H H 1 8.011 0.001 . 1 . . 63 . . 42 LEU H . 51763 1 189 . 1 . 1 42 42 LEU C C 13 177.784 0.003 . 1 . . 537 . . 42 LEU C . 51763 1 190 . 1 . 1 42 42 LEU CA C 13 56.020 0.023 . 1 . . 536 . . 42 LEU CA . 51763 1 191 . 1 . 1 42 42 LEU CB C 13 42.196 0.01 . 1 . . 535 . . 42 LEU CB . 51763 1 192 . 1 . 1 42 42 LEU N N 15 121.648 0.008 . 1 . . 64 . . 42 LEU N . 51763 1 193 . 1 . 1 43 43 LEU H H 1 7.981 0.001 . 1 . . 91 . . 43 LEU H . 51763 1 194 . 1 . 1 43 43 LEU C C 13 177.577 0.001 . 1 . . 540 . . 43 LEU C . 51763 1 195 . 1 . 1 43 43 LEU CA C 13 55.777 0.067 . 1 . . 539 . . 43 LEU CA . 51763 1 196 . 1 . 1 43 43 LEU CB C 13 42.054 0.026 . 1 . . 538 . . 43 LEU CB . 51763 1 197 . 1 . 1 43 43 LEU N N 15 120.642 0.006 . 1 . . 92 . . 43 LEU N . 51763 1 198 . 1 . 1 44 44 GLN H H 1 8.017 0.001 . 1 . . 147 . . 44 GLN H . 51763 1 199 . 1 . 1 44 44 GLN C C 13 175.808 . . 1 . . 541 . . 44 GLN C . 51763 1 200 . 1 . 1 44 44 GLN CA C 13 56.027 . . 1 . . 542 . . 44 GLN CA . 51763 1 201 . 1 . 1 44 44 GLN CB C 13 29.279 . . 1 . . 543 . . 44 GLN CB . 51763 1 202 . 1 . 1 44 44 GLN N N 15 118.906 0.03 . 1 . . 148 . . 44 GLN N . 51763 1 203 . 1 . 1 47 47 ALA H H 1 8.360 0.001 . 1 . . 139 . . 47 ALA H . 51763 1 204 . 1 . 1 47 47 ALA C C 13 177.045 . . 1 . . 228 . . 47 ALA C . 51763 1 205 . 1 . 1 47 47 ALA CA C 13 52.743 . . 1 . . 227 . . 47 ALA CA . 51763 1 206 . 1 . 1 47 47 ALA CB C 13 19.455 . . 1 . . 226 . . 47 ALA CB . 51763 1 207 . 1 . 1 47 47 ALA N N 15 125.240 0.018 . 1 . . 140 . . 47 ALA N . 51763 1 208 . 1 . 1 48 48 ASP H H 1 8.342 0.001 . 1 . . 67 . . 48 ASP H . 51763 1 209 . 1 . 1 48 48 ASP C C 13 176.331 . . 1 . . 231 . . 48 ASP C . 51763 1 210 . 1 . 1 48 48 ASP CA C 13 54.441 . . 1 . . 230 . . 48 ASP CA . 51763 1 211 . 1 . 1 48 48 ASP CB C 13 41.133 . . 1 . . 229 . . 48 ASP CB . 51763 1 212 . 1 . 1 48 48 ASP N N 15 119.643 0.009 . 1 . . 68 . . 48 ASP N . 51763 1 213 . 1 . 1 49 49 LEU H H 1 8.230 0.001 . 1 . . 27 . . 49 LEU H . 51763 1 214 . 1 . 1 49 49 LEU C C 13 177.710 0.009 . 1 . . 232 . . 49 LEU C . 51763 1 215 . 1 . 1 49 49 LEU CA C 13 55.508 0.066 . 1 . . 233 . . 49 LEU CA . 51763 1 216 . 1 . 1 49 49 LEU CB C 13 42.226 0.008 . 1 . . 234 . . 49 LEU CB . 51763 1 217 . 1 . 1 49 49 LEU N N 15 122.586 0.006 . 1 . . 28 . . 49 LEU N . 51763 1 218 . 1 . 1 50 50 THR H H 1 8.204 0.001 . 1 . . 179 . . 50 THR H . 51763 1 219 . 1 . 1 50 50 THR C C 13 174.609 0.011 . 1 . . 237 . . 50 THR C . 51763 1 220 . 1 . 1 50 50 THR CA C 13 62.470 0.02 . 1 . . 235 . . 50 THR CA . 51763 1 221 . 1 . 1 50 50 THR CB C 13 69.813 0.026 . 1 . . 236 . . 50 THR CB . 51763 1 222 . 1 . 1 50 50 THR N N 15 113.945 0.017 . 1 . . 180 . . 50 THR N . 51763 1 223 . 1 . 1 51 51 CYS H H 1 8.237 0.0 . 1 . . 51 . . 51 CYS H . 51763 1 224 . 1 . 1 51 51 CYS C C 13 174.695 0.006 . 1 . . 240 . . 51 CYS C . 51763 1 225 . 1 . 1 51 51 CYS CA C 13 58.535 0.08 . 1 . . 239 . . 51 CYS CA . 51763 1 226 . 1 . 1 51 51 CYS CB C 13 28.027 0.029 . 1 . . 238 . . 51 CYS CB . 51763 1 227 . 1 . 1 51 51 CYS N N 15 121.062 0.005 . 1 . . 52 . . 51 CYS N . 51763 1 228 . 1 . 1 52 52 THR H H 1 8.270 0.001 . 1 . . 149 . . 52 THR H . 51763 1 229 . 1 . 1 52 52 THR C C 13 174.641 0.01 . 1 . . 243 . . 52 THR C . 51763 1 230 . 1 . 1 52 52 THR CA C 13 62.291 0.022 . 1 . . 241 . . 52 THR CA . 51763 1 231 . 1 . 1 52 52 THR CB C 13 69.796 0.003 . 1 . . 242 . . 52 THR CB . 51763 1 232 . 1 . 1 52 52 THR N N 15 116.504 0.035 . 1 . . 150 . . 52 THR N . 51763 1 233 . 1 . 1 53 53 THR H H 1 8.159 0.001 . 1 . . 197 . . 53 THR H . 51763 1 234 . 1 . 1 53 53 THR C C 13 174.516 0.013 . 1 . . 244 . . 53 THR C . 51763 1 235 . 1 . 1 53 53 THR CA C 13 62.067 . . 1 . . 247 . . 53 THR CA . 51763 1 236 . 1 . 1 53 53 THR CB C 13 69.936 . . 1 . . 246 . . 53 THR CB . 51763 1 237 . 1 . 1 53 53 THR N N 15 116.387 0.017 . 1 . . 198 . . 53 THR N . 51763 1 238 . 1 . 1 54 54 THR H H 1 8.139 0.001 . 1 . . 201 . . 54 THR H . 51763 1 239 . 1 . 1 54 54 THR C C 13 174.220 0.0 . 1 . . 245 . . 54 THR C . 51763 1 240 . 1 . 1 54 54 THR CA C 13 61.922 0.03 . 1 . . 248 . . 54 THR CA . 51763 1 241 . 1 . 1 54 54 THR CB C 13 69.872 0.08 . 1 . . 249 . . 54 THR CB . 51763 1 242 . 1 . 1 54 54 THR N N 15 116.622 0.012 . 1 . . 202 . . 54 THR N . 51763 1 243 . 1 . 1 55 55 LEU H H 1 8.187 0.002 . 1 . . 183 . . 55 LEU H . 51763 1 244 . 1 . 1 55 55 LEU C C 13 176.571 0.001 . 1 . . 250 . . 55 LEU C . 51763 1 245 . 1 . 1 55 55 LEU CA C 13 55.291 0.005 . 1 . . 252 . . 55 LEU CA . 51763 1 246 . 1 . 1 55 55 LEU CB C 13 42.751 0.004 . 1 . . 251 . . 55 LEU CB . 51763 1 247 . 1 . 1 55 55 LEU N N 15 124.526 0.047 . 1 . . 184 . . 55 LEU N . 51763 1 248 . 1 . 1 56 56 ASP H H 1 8.303 0.001 . 1 . . 109 . . 56 ASP H . 51763 1 249 . 1 . 1 56 56 ASP C C 13 176.088 0.009 . 1 . . 253 . . 56 ASP C . 51763 1 250 . 1 . 1 56 56 ASP CA C 13 54.401 0.013 . 1 . . 255 . . 56 ASP CA . 51763 1 251 . 1 . 1 56 56 ASP CB C 13 41.213 0.004 . 1 . . 254 . . 56 ASP CB . 51763 1 252 . 1 . 1 56 56 ASP N N 15 121.456 0.055 . 1 . . 110 . . 56 ASP N . 51763 1 253 . 1 . 1 57 57 LEU H H 1 8.186 0.001 . 1 . . 153 . . 57 LEU H . 51763 1 254 . 1 . 1 57 57 LEU C C 13 177.723 0.002 . 1 . . 258 . . 57 LEU C . 51763 1 255 . 1 . 1 57 57 LEU CA C 13 55.399 0.034 . 1 . . 257 . . 57 LEU CA . 51763 1 256 . 1 . 1 57 57 LEU CB C 13 42.192 0.013 . 1 . . 256 . . 57 LEU CB . 51763 1 257 . 1 . 1 57 57 LEU N N 15 122.952 0.025 . 1 . . 154 . . 57 LEU N . 51763 1 258 . 1 . 1 58 58 THR H H 1 8.203 0.001 . 1 . . 207 . . 58 THR H . 51763 1 259 . 1 . 1 58 58 THR C C 13 174.596 . . 1 . . 415 . . 58 THR C . 51763 1 260 . 1 . 1 58 58 THR CA C 13 62.460 0.018 . 1 . . 413 . . 58 THR CA . 51763 1 261 . 1 . 1 58 58 THR CB C 13 69.850 0.056 . 1 . . 414 . . 58 THR CB . 51763 1 262 . 1 . 1 58 58 THR N N 15 114.062 0.005 . 1 . . 208 . . 58 THR N . 51763 1 263 . 1 . 1 59 59 ASP H H 1 8.221 0.001 . 1 . . 85 . . 59 ASP H . 51763 1 264 . 1 . 1 59 59 ASP C C 13 176.789 0.003 . 1 . . 410 . . 59 ASP C . 51763 1 265 . 1 . 1 59 59 ASP CA C 13 54.568 0.0 . 1 . . 411 . . 59 ASP CA . 51763 1 266 . 1 . 1 59 59 ASP CB C 13 41.240 0.032 . 1 . . 412 . . 59 ASP CB . 51763 1 267 . 1 . 1 59 59 ASP N N 15 122.211 0.009 . 1 . . 86 . . 59 ASP N . 51763 1 268 . 1 . 1 60 60 GLY H H 1 8.349 0.001 . 1 . . 213 . . 60 GLY H . 51763 1 269 . 1 . 1 60 60 GLY C C 13 174.625 0.004 . 1 . . 408 . . 60 GLY C . 51763 1 270 . 1 . 1 60 60 GLY CA C 13 45.724 0.002 . 1 . . 409 . . 60 GLY CA . 51763 1 271 . 1 . 1 60 60 GLY N N 15 109.463 0.017 . 1 . . 214 . . 60 GLY N . 51763 1 272 . 1 . 1 61 61 THR H H 1 8.117 0.001 . 1 . . 169 . . 61 THR H . 51763 1 273 . 1 . 1 61 61 THR C C 13 174.641 0.007 . 1 . . 407 . . 61 THR C . 51763 1 274 . 1 . 1 61 61 THR CA C 13 62.728 0.006 . 1 . . 405 . . 61 THR CA . 51763 1 275 . 1 . 1 61 61 THR CB C 13 69.892 0.007 . 1 . . 406 . . 61 THR CB . 51763 1 276 . 1 . 1 61 61 THR N N 15 114.095 0.007 . 1 . . 170 . . 61 THR N . 51763 1 277 . 1 . 1 62 62 ILE H H 1 8.049 0.001 . 1 . . 29 . . 62 ILE H . 51763 1 278 . 1 . 1 62 62 ILE C C 13 176.044 0.005 . 1 . . 403 . . 62 ILE C . 51763 1 279 . 1 . 1 62 62 ILE CA C 13 61.212 0.017 . 1 . . 404 . . 62 ILE CA . 51763 1 280 . 1 . 1 62 62 ILE CB C 13 38.744 0.022 . 1 . . 402 . . 62 ILE CB . 51763 1 281 . 1 . 1 62 62 ILE N N 15 122.906 0.022 . 1 . . 30 . . 62 ILE N . 51763 1 282 . 1 . 1 63 63 THR H H 1 8.054 0.001 . 1 . . 57 . . 63 THR H . 51763 1 283 . 1 . 1 63 63 THR C C 13 173.957 0.009 . 1 . . 399 . . 63 THR C . 51763 1 284 . 1 . 1 63 63 THR CA C 13 61.572 0.043 . 1 . . 400 . . 63 THR CA . 51763 1 285 . 1 . 1 63 63 THR CB C 13 70.028 0.043 . 1 . . 401 . . 63 THR CB . 51763 1 286 . 1 . 1 63 63 THR N N 15 117.907 0.006 . 1 . . 58 . . 63 THR N . 51763 1 287 . 1 . 1 64 64 PHE H H 1 8.208 0.002 . 1 . . 47 . . 64 PHE H . 51763 1 288 . 1 . 1 64 64 PHE C C 13 175.256 0.011 . 1 . . 396 . . 64 PHE C . 51763 1 289 . 1 . 1 64 64 PHE CA C 13 57.788 0.015 . 1 . . 397 . . 64 PHE CA . 51763 1 290 . 1 . 1 64 64 PHE CB C 13 39.794 0.015 . 1 . . 398 . . 64 PHE CB . 51763 1 291 . 1 . 1 64 64 PHE N N 15 122.433 0.027 . 1 . . 48 . . 64 PHE N . 51763 1 292 . 1 . 1 65 65 ASN H H 1 8.323 0.001 . 1 . . 41 . . 65 ASN H . 51763 1 293 . 1 . 1 65 65 ASN C C 13 174.689 . . 1 . . 393 . . 65 ASN C . 51763 1 294 . 1 . 1 65 65 ASN CA C 13 53.185 . . 1 . . 394 . . 65 ASN CA . 51763 1 295 . 1 . 1 65 65 ASN CB C 13 39.037 . . 1 . . 395 . . 65 ASN CB . 51763 1 296 . 1 . 1 65 65 ASN N N 15 120.427 0.013 . 1 . . 42 . . 65 ASN N . 51763 1 297 . 1 . 1 66 66 ASN H H 1 8.295 0.001 . 1 . . 205 . . 66 ASN H . 51763 1 298 . 1 . 1 66 66 ASN C C 13 174.929 0.01 . 1 . . 389 . . 66 ASN C . 51763 1 299 . 1 . 1 66 66 ASN CA C 13 53.380 0.009 . 1 . . 392 . . 66 ASN CA . 51763 1 300 . 1 . 1 66 66 ASN CB C 13 38.888 0.011 . 1 . . 391 . . 66 ASN CB . 51763 1 301 . 1 . 1 66 66 ASN N N 15 119.335 0.01 . 1 . . 206 . . 66 ASN N . 51763 1 302 . 1 . 1 67 67 ASN H H 1 8.352 0.0 . 1 . . 143 . . 67 ASN H . 51763 1 303 . 1 . 1 67 67 ASN C C 13 175.171 0.008 . 1 . . 386 . . 67 ASN C . 51763 1 304 . 1 . 1 67 67 ASN CA C 13 53.589 0.023 . 1 . . 388 . . 67 ASN CA . 51763 1 305 . 1 . 1 67 67 ASN CB C 13 38.783 0.002 . 1 . . 387 . . 67 ASN CB . 51763 1 306 . 1 . 1 67 67 ASN N N 15 118.571 0.005 . 1 . . 144 . . 67 ASN N . 51763 1 307 . 1 . 1 68 68 LEU H H 1 8.116 0.001 . 1 . . 23 . . 68 LEU H . 51763 1 308 . 1 . 1 68 68 LEU C C 13 177.889 0.004 . 1 . . 385 . . 68 LEU C . 51763 1 309 . 1 . 1 68 68 LEU CA C 13 55.496 0.013 . 1 . . 384 . . 68 LEU CA . 51763 1 310 . 1 . 1 68 68 LEU CB C 13 42.314 0.013 . 1 . . 383 . . 68 LEU CB . 51763 1 311 . 1 . 1 68 68 LEU N N 15 121.745 0.012 . 1 . . 24 . . 68 LEU N . 51763 1 312 . 1 . 1 69 69 GLY H H 1 8.329 0.001 . 1 . . 141 . . 69 GLY H . 51763 1 313 . 1 . 1 69 69 GLY C C 13 174.481 0.007 . 1 . . 381 . . 69 GLY C . 51763 1 314 . 1 . 1 69 69 GLY CA C 13 45.501 0.004 . 1 . . 382 . . 69 GLY CA . 51763 1 315 . 1 . 1 69 69 GLY N N 15 108.957 0.006 . 1 . . 142 . . 69 GLY N . 51763 1 316 . 1 . 1 70 70 THR H H 1 8.070 0.001 . 1 . . 211 . . 70 THR H . 51763 1 317 . 1 . 1 70 70 THR C C 13 175.366 0.006 . 1 . . 353 . . 70 THR C . 51763 1 318 . 1 . 1 70 70 THR CA C 13 62.025 0.027 . 1 . . 350 . . 70 THR CA . 51763 1 319 . 1 . 1 70 70 THR CB C 13 69.975 0.004 . 1 . . 351 . . 70 THR CB . 51763 1 320 . 1 . 1 70 70 THR N N 15 112.672 0.006 . 1 . . 212 . . 70 THR N . 51763 1 321 . 1 . 1 71 71 GLY H H 1 8.508 0.001 . 1 . . 171 . . 71 GLY H . 51763 1 322 . 1 . 1 71 71 GLY C C 13 174.573 0.005 . 1 . . 352 . . 71 GLY C . 51763 1 323 . 1 . 1 71 71 GLY CA C 13 45.549 0.0 . 1 . . 349 . . 71 GLY CA . 51763 1 324 . 1 . 1 71 71 GLY N N 15 111.254 0.008 . 1 . . 172 . . 71 GLY N . 51763 1 325 . 1 . 1 72 72 THR H H 1 8.044 0.001 . 1 . . 195 . . 72 THR H . 51763 1 326 . 1 . 1 72 72 THR C C 13 174.895 0.002 . 1 . . 354 . . 72 THR C . 51763 1 327 . 1 . 1 72 72 THR CA C 13 62.260 0.024 . 1 . . 356 . . 72 THR CA . 51763 1 328 . 1 . 1 72 72 THR CB C 13 69.840 0.005 . 1 . . 355 . . 72 THR CB . 51763 1 329 . 1 . 1 72 72 THR N N 15 113.164 0.017 . 1 . . 196 . . 72 THR N . 51763 1 330 . 1 . 1 73 73 GLU H H 1 8.530 0.001 . 1 . . 131 . . 73 GLU H . 51763 1 331 . 1 . 1 73 73 GLU C C 13 176.452 0.007 . 1 . . 359 . . 73 GLU C . 51763 1 332 . 1 . 1 73 73 GLU CA C 13 57.103 0.009 . 1 . . 357 . . 73 GLU CA . 51763 1 333 . 1 . 1 73 73 GLU CB C 13 29.976 0.004 . 1 . . 358 . . 73 GLU CB . 51763 1 334 . 1 . 1 73 73 GLU N N 15 122.966 0.012 . 1 . . 132 . . 73 GLU N . 51763 1 335 . 1 . 1 74 74 ALA H H 1 8.236 0.001 . 1 . . 189 . . 74 ALA H . 51763 1 336 . 1 . 1 74 74 ALA C C 13 177.577 0.008 . 1 . . 362 . . 74 ALA C . 51763 1 337 . 1 . 1 74 74 ALA CA C 13 52.902 0.02 . 1 . . 361 . . 74 ALA CA . 51763 1 338 . 1 . 1 74 74 ALA CB C 13 19.157 0.009 . 1 . . 360 . . 74 ALA CB . 51763 1 339 . 1 . 1 74 74 ALA N N 15 124.378 0.009 . 1 . . 190 . . 74 ALA N . 51763 1 340 . 1 . 1 75 75 ASN H H 1 8.259 0.001 . 1 . . 119 . . 75 ASN H . 51763 1 341 . 1 . 1 75 75 ASN C C 13 175.325 0.01 . 1 . . 365 . . 75 ASN C . 51763 1 342 . 1 . 1 75 75 ASN CA C 13 53.406 0.055 . 1 . . 364 . . 75 ASN CA . 51763 1 343 . 1 . 1 75 75 ASN CB C 13 38.878 0.008 . 1 . . 363 . . 75 ASN CB . 51763 1 344 . 1 . 1 75 75 ASN N N 15 117.226 0.014 . 1 . . 120 . . 75 ASN N . 51763 1 345 . 1 . 1 76 76 GLN H H 1 8.208 0.001 . 1 . . 107 . . 76 GLN H . 51763 1 346 . 1 . 1 76 76 GLN C C 13 175.639 0.008 . 1 . . 368 . . 76 GLN C . 51763 1 347 . 1 . 1 76 76 GLN CA C 13 56.137 0.011 . 1 . . 366 . . 76 GLN CA . 51763 1 348 . 1 . 1 76 76 GLN CB C 13 29.399 0.001 . 1 . . 367 . . 76 GLN CB . 51763 1 349 . 1 . 1 76 76 GLN N N 15 120.434 0.006 . 1 . . 108 . . 76 GLN N . 51763 1 350 . 1 . 1 77 77 ALA H H 1 8.175 0.001 . 1 . . 5 . . 77 ALA H . 51763 1 351 . 1 . 1 77 77 ALA C C 13 177.258 0.001 . 1 . . 369 . . 77 ALA C . 51763 1 352 . 1 . 1 77 77 ALA CA C 13 52.784 0.027 . 1 . . 371 . . 77 ALA CA . 51763 1 353 . 1 . 1 77 77 ALA CB C 13 19.187 0.016 . 1 . . 370 . . 77 ALA CB . 51763 1 354 . 1 . 1 77 77 ALA N N 15 124.318 0.013 . 1 . . 6 . . 77 ALA N . 51763 1 355 . 1 . 1 78 78 TYR H H 1 7.944 0.001 . 1 . . 99 . . 78 TYR H . 51763 1 356 . 1 . 1 78 78 TYR C C 13 175.582 0.008 . 1 . . 374 . . 78 TYR C . 51763 1 357 . 1 . 1 78 78 TYR CA C 13 57.731 0.013 . 1 . . 372 . . 78 TYR CA . 51763 1 358 . 1 . 1 78 78 TYR CB C 13 38.921 0.005 . 1 . . 373 . . 78 TYR CB . 51763 1 359 . 1 . 1 78 78 TYR N N 15 118.669 0.009 . 1 . . 100 . . 78 TYR N . 51763 1 360 . 1 . 1 79 79 SER H H 1 8.016 0.001 . 1 . . 115 . . 79 SER H . 51763 1 361 . 1 . 1 79 79 SER C C 13 173.652 0.009 . 1 . . 377 . . 79 SER C . 51763 1 362 . 1 . 1 79 79 SER CA C 13 57.941 0.053 . 1 . . 376 . . 79 SER CA . 51763 1 363 . 1 . 1 79 79 SER CB C 13 64.085 0.008 . 1 . . 375 . . 79 SER CB . 51763 1 364 . 1 . 1 79 79 SER N N 15 117.588 0.009 . 1 . . 116 . . 79 SER N . 51763 1 365 . 1 . 1 80 80 VAL H H 1 8.009 0.001 . 1 . . 9 . . 80 VAL H . 51763 1 366 . 1 . 1 80 80 VAL C C 13 174.609 . . 1 . . 380 . . 80 VAL C . 51763 1 367 . 1 . 1 80 80 VAL CA C 13 60.002 . . 1 . . 379 . . 80 VAL CA . 51763 1 368 . 1 . 1 80 80 VAL CB C 13 32.657 . . 1 . . 378 . . 80 VAL CB . 51763 1 369 . 1 . 1 80 80 VAL N N 15 122.750 0.011 . 1 . . 10 . . 80 VAL N . 51763 1 370 . 1 . 1 81 81 PRO C C 13 177.063 . . 1 . . 311 . . 81 PRO C . 51763 1 371 . 1 . 1 81 81 PRO CA C 13 63.474 . . 1 . . 307 . . 81 PRO CA . 51763 1 372 . 1 . 1 81 81 PRO CB C 13 32.158 . . 1 . . 309 . . 81 PRO CB . 51763 1 373 . 1 . 1 82 82 THR H H 1 8.096 0.001 . 1 . . 145 . . 82 THR H . 51763 1 374 . 1 . 1 82 82 THR C C 13 174.540 0.0 . 1 . . 310 . . 82 THR C . 51763 1 375 . 1 . 1 82 82 THR CA C 13 62.054 0.023 . 1 . . 306 . . 82 THR CA . 51763 1 376 . 1 . 1 82 82 THR CB C 13 70.028 0.008 . 1 . . 308 . . 82 THR CB . 51763 1 377 . 1 . 1 82 82 THR N N 15 114.403 0.023 . 1 . . 146 . . 82 THR N . 51763 1 378 . 1 . 1 83 83 LYS H H 1 8.273 0.0 . 1 . . 43 . . 83 LYS H . 51763 1 379 . 1 . 1 83 83 LYS C C 13 176.372 . . 1 . . 305 . . 83 LYS C . 51763 1 380 . 1 . 1 83 83 LYS CA C 13 56.349 0.011 . 1 . . 303 . . 83 LYS CA . 51763 1 381 . 1 . 1 83 83 LYS CB C 13 33.020 . . 1 . . 304 . . 83 LYS CB . 51763 1 382 . 1 . 1 83 83 LYS N N 15 123.378 0.069 . 1 . . 44 . . 83 LYS N . 51763 1 383 . 1 . 1 84 84 MET H H 1 8.388 0.0 . 1 . . 1 . . 84 MET H . 51763 1 384 . 1 . 1 84 84 MET C C 13 176.629 0.0 . 1 . . 300 . . 84 MET C . 51763 1 385 . 1 . 1 84 84 MET CA C 13 55.739 0.02 . 1 . . 301 . . 84 MET CA . 51763 1 386 . 1 . 1 84 84 MET CB C 13 33.006 0.003 . 1 . . 302 . . 84 MET CB . 51763 1 387 . 1 . 1 84 84 MET N N 15 121.922 0.023 . 1 . . 2 . . 84 MET N . 51763 1 388 . 1 . 1 85 85 GLY H H 1 8.419 0.001 . 1 . . 61 . . 85 GLY H . 51763 1 389 . 1 . 1 85 85 GLY C C 13 174.008 0.003 . 1 . . 262 . . 85 GLY C . 51763 1 390 . 1 . 1 85 85 GLY CA C 13 45.424 0.002 . 1 . . 263 . . 85 GLY CA . 51763 1 391 . 1 . 1 85 85 GLY N N 15 110.312 0.011 . 1 . . 62 . . 85 GLY N . 51763 1 392 . 1 . 1 86 86 SER H H 1 8.155 0.001 . 1 . . 123 . . 86 SER H . 51763 1 393 . 1 . 1 86 86 SER C C 13 174.312 0.008 . 1 . . 261 . . 86 SER C . 51763 1 394 . 1 . 1 86 86 SER CA C 13 58.372 0.037 . 1 . . 259 . . 86 SER CA . 51763 1 395 . 1 . 1 86 86 SER CB C 13 64.204 0.013 . 1 . . 260 . . 86 SER CB . 51763 1 396 . 1 . 1 86 86 SER N N 15 115.562 0.01 . 1 . . 124 . . 86 SER N . 51763 1 397 . 1 . 1 87 87 LYS H H 1 8.382 0.001 . 1 . . 103 . . 87 LYS H . 51763 1 398 . 1 . 1 87 87 LYS C C 13 176.504 0.001 . 1 . . 266 . . 87 LYS C . 51763 1 399 . 1 . 1 87 87 LYS CA C 13 56.315 0.003 . 1 . . 265 . . 87 LYS CA . 51763 1 400 . 1 . 1 87 87 LYS CB C 13 33.046 0.008 . 1 . . 264 . . 87 LYS CB . 51763 1 401 . 1 . 1 87 87 LYS N N 15 123.034 0.019 . 1 . . 104 . . 87 LYS N . 51763 1 402 . 1 . 1 88 88 LEU H H 1 8.290 0.001 . 1 . . 13 . . 88 LEU H . 51763 1 403 . 1 . 1 88 88 LEU C C 13 177.447 0.005 . 1 . . 269 . . 88 LEU C . 51763 1 404 . 1 . 1 88 88 LEU CA C 13 55.963 0.074 . 1 . . 267 . . 88 LEU CA . 51763 1 405 . 1 . 1 88 88 LEU CB C 13 42.204 0.018 . 1 . . 268 . . 88 LEU CB . 51763 1 406 . 1 . 1 88 88 LEU N N 15 123.718 0.006 . 1 . . 14 . . 88 LEU N . 51763 1 407 . 1 . 1 89 89 GLU H H 1 8.434 0.001 . 1 . . 97 . . 89 GLU H . 51763 1 408 . 1 . 1 89 89 GLU C C 13 176.157 0.001 . 1 . . 272 . . 89 GLU C . 51763 1 409 . 1 . 1 89 89 GLU CA C 13 57.073 0.0 . 1 . . 271 . . 89 GLU CA . 51763 1 410 . 1 . 1 89 89 GLU CB C 13 30.230 0.003 . 1 . . 270 . . 89 GLU CB . 51763 1 411 . 1 . 1 89 89 GLU N N 15 120.088 0.007 . 1 . . 98 . . 89 GLU N . 51763 1 412 . 1 . 1 90 90 ASP H H 1 8.136 0.001 . 1 . . 77 . . 90 ASP H . 51763 1 413 . 1 . 1 90 90 ASP C C 13 176.127 0.003 . 1 . . 275 . . 90 ASP C . 51763 1 414 . 1 . 1 90 90 ASP CA C 13 54.722 0.001 . 1 . . 273 . . 90 ASP CA . 51763 1 415 . 1 . 1 90 90 ASP CB C 13 41.176 0.002 . 1 . . 274 . . 90 ASP CB . 51763 1 416 . 1 . 1 90 90 ASP N N 15 120.734 0.032 . 1 . . 78 . . 90 ASP N . 51763 1 417 . 1 . 1 91 91 ILE H H 1 7.886 0.001 . 1 . . 129 . . 91 ILE H . 51763 1 418 . 1 . 1 91 91 ILE C C 13 175.984 0.008 . 1 . . 278 . . 91 ILE C . 51763 1 419 . 1 . 1 91 91 ILE CA C 13 61.312 0.008 . 1 . . 276 . . 91 ILE CA . 51763 1 420 . 1 . 1 91 91 ILE CB C 13 38.888 0.01 . 1 . . 277 . . 91 ILE CB . 51763 1 421 . 1 . 1 91 91 ILE N N 15 120.002 0.003 . 1 . . 130 . . 91 ILE N . 51763 1 422 . 1 . 1 92 92 LEU H H 1 8.186 0.001 . 1 . . 133 . . 92 LEU H . 51763 1 423 . 1 . 1 92 92 LEU C C 13 177.069 0.005 . 1 . . 281 . . 92 LEU C . 51763 1 424 . 1 . 1 92 92 LEU CA C 13 55.129 0.03 . 1 . . 280 . . 92 LEU CA . 51763 1 425 . 1 . 1 92 92 LEU CB C 13 42.242 0.01 . 1 . . 279 . . 92 LEU CB . 51763 1 426 . 1 . 1 92 92 LEU N N 15 125.296 0.01 . 1 . . 134 . . 92 LEU N . 51763 1 427 . 1 . 1 93 93 MET H H 1 8.220 0.001 . 1 . . 25 . . 93 MET H . 51763 1 428 . 1 . 1 93 93 MET C C 13 175.699 0.0 . 1 . . 284 . . 93 MET C . 51763 1 429 . 1 . 1 93 93 MET CA C 13 55.350 0.007 . 1 . . 283 . . 93 MET CA . 51763 1 430 . 1 . 1 93 93 MET CB C 13 33.169 0.019 . 1 . . 282 . . 93 MET CB . 51763 1 431 . 1 . 1 93 93 MET N N 15 121.220 0.008 . 1 . . 26 . . 93 MET N . 51763 1 432 . 1 . 1 94 94 ASP H H 1 8.194 0.0 . 1 . . 19 . . 94 ASP H . 51763 1 433 . 1 . 1 94 94 ASP C C 13 176.072 0.003 . 1 . . 287 . . 94 ASP C . 51763 1 434 . 1 . 1 94 94 ASP CA C 13 54.459 0.016 . 1 . . 285 . . 94 ASP CA . 51763 1 435 . 1 . 1 94 94 ASP CB C 13 41.392 0.009 . 1 . . 286 . . 94 ASP CB . 51763 1 436 . 1 . 1 94 94 ASP N N 15 121.473 0.023 . 1 . . 20 . . 94 ASP N . 51763 1 437 . 1 . 1 95 95 ASP H H 1 8.378 0.0 . 1 . . 89 . . 95 ASP H . 51763 1 438 . 1 . 1 95 95 ASP C C 13 176.773 0.002 . 1 . . 288 . . 95 ASP C . 51763 1 439 . 1 . 1 95 95 ASP CA C 13 54.626 0.017 . 1 . . 290 . . 95 ASP CA . 51763 1 440 . 1 . 1 95 95 ASP CB C 13 41.026 0.043 . 1 . . 289 . . 95 ASP CB . 51763 1 441 . 1 . 1 95 95 ASP N N 15 121.549 0.027 . 1 . . 90 . . 95 ASP N . 51763 1 442 . 1 . 1 96 96 THR H H 1 8.217 0.001 . 1 . . 185 . . 96 THR H . 51763 1 443 . 1 . 1 96 96 THR C C 13 174.784 0.009 . 1 . . 291 . . 96 THR C . 51763 1 444 . 1 . 1 96 96 THR CA C 13 62.778 0.009 . 1 . . 292 . . 96 THR CA . 51763 1 445 . 1 . 1 96 96 THR CB C 13 69.726 0.028 . 1 . . 293 . . 96 THR CB . 51763 1 446 . 1 . 1 96 96 THR N N 15 113.664 0.013 . 1 . . 186 . . 96 THR N . 51763 1 447 . 1 . 1 97 97 LEU H H 1 8.022 0.001 . 1 . . 167 . . 97 LEU H . 51763 1 448 . 1 . 1 97 97 LEU C C 13 177.078 0.002 . 1 . . 296 . . 97 LEU C . 51763 1 449 . 1 . 1 97 97 LEU CA C 13 55.133 0.02 . 1 . . 295 . . 97 LEU CA . 51763 1 450 . 1 . 1 97 97 LEU CB C 13 42.360 0.021 . 1 . . 294 . . 97 LEU CB . 51763 1 451 . 1 . 1 97 97 LEU N N 15 123.387 0.041 . 1 . . 168 . . 97 LEU N . 51763 1 452 . 1 . 1 98 98 SER H H 1 8.122 0.001 . 1 . . 79 . . 98 SER H . 51763 1 453 . 1 . 1 98 98 SER C C 13 172.762 . . 1 . . 297 . . 98 SER C . 51763 1 454 . 1 . 1 98 98 SER CA C 13 56.381 . . 1 . . 299 . . 98 SER CA . 51763 1 455 . 1 . 1 98 98 SER CB C 13 63.554 . . 1 . . 298 . . 98 SER CB . 51763 1 456 . 1 . 1 98 98 SER N N 15 117.496 0.004 . 1 . . 80 . . 98 SER N . 51763 1 457 . 1 . 1 99 99 PRO C C 13 176.995 . . 1 . . 348 . . 99 PRO C . 51763 1 458 . 1 . 1 99 99 PRO CA C 13 63.275 . . 1 . . 346 . . 99 PRO CA . 51763 1 459 . 1 . 1 99 99 PRO CB C 13 32.051 . . 1 . . 344 . . 99 PRO CB . 51763 1 460 . 1 . 1 100 100 VAL H H 1 8.103 0.002 . 1 . . 173 . . 100 VAL H . 51763 1 461 . 1 . 1 100 100 VAL C C 13 176.733 . . 1 . . 347 . . 100 VAL C . 51763 1 462 . 1 . 1 100 100 VAL CA C 13 62.572 . . 1 . . 345 . . 100 VAL CA . 51763 1 463 . 1 . 1 100 100 VAL CB C 13 32.685 . . 1 . . 343 . . 100 VAL CB . 51763 1 464 . 1 . 1 100 100 VAL N N 15 119.612 0.014 . 1 . . 174 . . 100 VAL N . 51763 1 465 . 1 . 1 101 101 GLY H H 1 8.358 0.0 . 1 . . 193 . . 101 GLY H . 51763 1 466 . 1 . 1 101 101 GLY C C 13 173.970 0.008 . 1 . . 333 . . 101 GLY C . 51763 1 467 . 1 . 1 101 101 GLY CA C 13 45.366 0.007 . 1 . . 332 . . 101 GLY CA . 51763 1 468 . 1 . 1 101 101 GLY N N 15 112.035 0.01 . 1 . . 194 . . 101 GLY N . 51763 1 469 . 1 . 1 102 102 VAL H H 1 7.928 0.001 . 1 . . 33 . . 102 VAL H . 51763 1 470 . 1 . 1 102 102 VAL C C 13 176.350 0.009 . 1 . . 334 . . 102 VAL C . 51763 1 471 . 1 . 1 102 102 VAL CA C 13 62.381 . . 1 . . 336 . . 102 VAL CA . 51763 1 472 . 1 . 1 102 102 VAL CB C 13 32.879 . . 1 . . 335 . . 102 VAL CB . 51763 1 473 . 1 . 1 102 102 VAL N N 15 119.052 0.052 . 1 . . 34 . . 102 VAL N . 51763 1 474 . 1 . 1 103 103 THR H H 1 8.197 0.001 . 1 . . 95 . . 103 THR H . 51763 1 475 . 1 . 1 103 103 THR C C 13 173.882 0.011 . 1 . . 339 . . 103 THR C . 51763 1 476 . 1 . 1 103 103 THR CA C 13 61.965 0.043 . 1 . . 337 . . 103 THR CA . 51763 1 477 . 1 . 1 103 103 THR CB C 13 69.963 0.001 . 1 . . 338 . . 103 THR CB . 51763 1 478 . 1 . 1 103 103 THR N N 15 117.642 0.003 . 1 . . 96 . . 103 THR N . 51763 1 479 . 1 . 1 104 104 ASP H H 1 8.181 0.0 . 1 . . 199 . . 104 ASP H . 51763 1 480 . 1 . 1 104 104 ASP C C 13 175.167 . . 1 . . 340 . . 104 ASP C . 51763 1 481 . 1 . 1 104 104 ASP CA C 13 52.330 . . 1 . . 342 . . 104 ASP CA . 51763 1 482 . 1 . 1 104 104 ASP CB C 13 41.796 . . 1 . . 341 . . 104 ASP CB . 51763 1 483 . 1 . 1 104 104 ASP N N 15 124.354 0.008 . 1 . . 200 . . 104 ASP N . 51763 1 484 . 1 . 1 105 105 PRO C C 13 177.523 . . 1 . . 473 . . 105 PRO C . 51763 1 485 . 1 . 1 105 105 PRO CA C 13 63.976 . . 1 . . 471 . . 105 PRO CA . 51763 1 486 . 1 . 1 105 105 PRO CB C 13 32.244 . . 1 . . 469 . . 105 PRO CB . 51763 1 487 . 1 . 1 106 106 LEU H H 1 8.367 0.001 . 1 . . 177 . . 106 LEU H . 51763 1 488 . 1 . 1 106 106 LEU C C 13 178.034 0.001 . 1 . . 472 . . 106 LEU C . 51763 1 489 . 1 . 1 106 106 LEU CA C 13 55.869 0.034 . 1 . . 470 . . 106 LEU CA . 51763 1 490 . 1 . 1 106 106 LEU CB C 13 41.650 0.011 . 1 . . 468 . . 106 LEU CB . 51763 1 491 . 1 . 1 106 106 LEU N N 15 119.869 0.008 . 1 . . 178 . . 106 LEU N . 51763 1 492 . 1 . 1 107 107 LEU H H 1 7.841 0.001 . 1 . . 53 . . 107 LEU H . 51763 1 493 . 1 . 1 107 107 LEU C C 13 177.590 . . 1 . . 465 . . 107 LEU C . 51763 1 494 . 1 . 1 107 107 LEU CA C 13 55.523 0.006 . 1 . . 467 . . 107 LEU CA . 51763 1 495 . 1 . 1 107 107 LEU CB C 13 42.185 0.019 . 1 . . 466 . . 107 LEU CB . 51763 1 496 . 1 . 1 107 107 LEU N N 15 120.855 0.01 . 1 . . 54 . . 107 LEU N . 51763 1 497 . 1 . 1 108 108 SER H H 1 8.020 0.001 . 1 . . 83 . . 108 SER H . 51763 1 498 . 1 . 1 108 108 SER C C 13 174.669 0.004 . 1 . . 464 . . 108 SER C . 51763 1 499 . 1 . 1 108 108 SER CA C 13 58.743 0.068 . 1 . . 462 . . 108 SER CA . 51763 1 500 . 1 . 1 108 108 SER CB C 13 63.910 0.001 . 1 . . 463 . . 108 SER CB . 51763 1 501 . 1 . 1 108 108 SER N N 15 115.141 0.014 . 1 . . 84 . . 108 SER N . 51763 1 502 . 1 . 1 109 109 SER H H 1 8.153 0.001 . 1 . . 161 . . 109 SER H . 51763 1 503 . 1 . 1 109 109 SER C C 13 174.390 0.001 . 1 . . 476 . . 109 SER C . 51763 1 504 . 1 . 1 109 109 SER CA C 13 58.597 0.068 . 1 . . 474 . . 109 SER CA . 51763 1 505 . 1 . 1 109 109 SER CB C 13 63.935 0.018 . 1 . . 475 . . 109 SER CB . 51763 1 506 . 1 . 1 109 109 SER N N 15 117.120 0.006 . 1 . . 162 . . 109 SER N . 51763 1 507 . 1 . 1 110 110 VAL H H 1 7.928 0.002 . 1 . . 187 . . 110 VAL H . 51763 1 508 . 1 . 1 110 110 VAL C C 13 175.900 0.013 . 1 . . 477 . . 110 VAL C . 51763 1 509 . 1 . 1 110 110 VAL CA C 13 62.221 . . 1 . . 479 . . 110 VAL CA . 51763 1 510 . 1 . 1 110 110 VAL CB C 13 32.749 0.024 . 1 . . 478 . . 110 VAL CB . 51763 1 511 . 1 . 1 110 110 VAL N N 15 120.330 0.037 . 1 . . 188 . . 110 VAL N . 51763 1 512 . 1 . 1 111 111 SER H H 1 8.268 0.001 . 1 . . 59 . . 111 SER H . 51763 1 513 . 1 . 1 111 111 SER C C 13 176.020 . . 1 . . 480 . . 111 SER C . 51763 1 514 . 1 . 1 111 111 SER CA C 13 56.344 . . 1 . . 481 . . 111 SER CA . 51763 1 515 . 1 . 1 111 111 SER CB C 13 63.558 . . 1 . . 482 . . 111 SER CB . 51763 1 516 . 1 . 1 111 111 SER N N 15 120.297 0.008 . 1 . . 60 . . 111 SER N . 51763 1 517 . 1 . 1 112 112 PRO C C 13 177.718 0.0 . 1 . . 218 . . 112 PRO C . 51763 1 518 . 1 . 1 112 112 PRO CA C 13 63.924 0.029 . 1 . . 216 . . 112 PRO CA . 51763 1 519 . 1 . 1 112 112 PRO CB C 13 32.045 0.017 . 1 . . 217 . . 112 PRO CB . 51763 1 520 . 1 . 1 113 113 GLY H H 1 8.388 0.001 . 1 . . 181 . . 113 GLY H . 51763 1 521 . 1 . 1 113 113 GLY C C 13 174.128 0.006 . 1 . . 219 . . 113 GLY C . 51763 1 522 . 1 . 1 113 113 GLY CA C 13 45.415 0.019 . 1 . . 215 . . 113 GLY CA . 51763 1 523 . 1 . 1 113 113 GLY N N 15 108.850 0.005 . 1 . . 182 . . 113 GLY N . 51763 1 524 . 1 . 1 114 114 ALA H H 1 8.023 0.002 . 1 . . 35 . . 114 ALA H . 51763 1 525 . 1 . 1 114 114 ALA C C 13 177.921 0.01 . 1 . . 222 . . 114 ALA C . 51763 1 526 . 1 . 1 114 114 ALA CA C 13 52.768 0.031 . 1 . . 221 . . 114 ALA CA . 51763 1 527 . 1 . 1 114 114 ALA CB C 13 19.435 0.015 . 1 . . 220 . . 114 ALA CB . 51763 1 528 . 1 . 1 114 114 ALA N N 15 123.566 0.008 . 1 . . 36 . . 114 ALA N . 51763 1 529 . 1 . 1 115 115 SER H H 1 8.223 0.001 . 1 . . 137 . . 115 SER H . 51763 1 530 . 1 . 1 115 115 SER C C 13 174.921 0.021 . 1 . . 225 . . 115 SER C . 51763 1 531 . 1 . 1 115 115 SER CA C 13 58.644 0.055 . 1 . . 223 . . 115 SER CA . 51763 1 532 . 1 . 1 115 115 SER CB C 13 63.878 0.027 . 1 . . 224 . . 115 SER CB . 51763 1 533 . 1 . 1 115 115 SER N N 15 114.639 0.008 . 1 . . 138 . . 115 SER N . 51763 1 534 . 1 . 1 116 116 LYS H H 1 8.431 0.002 . 1 . . 485 . . 116 LYS H . 51763 1 535 . 1 . 1 116 116 LYS C C 13 176.699 0.007 . 1 . . 487 . . 116 LYS C . 51763 1 536 . 1 . 1 116 116 LYS CA C 13 56.828 . . 1 . . 488 . . 116 LYS CA . 51763 1 537 . 1 . 1 116 116 LYS CB C 13 30.351 . . 1 . . 489 . . 116 LYS CB . 51763 1 538 . 1 . 1 116 116 LYS N N 15 121.801 0.066 . 1 . . 486 . . 116 LYS N . 51763 1 539 . 1 . 1 117 117 THR H H 1 8.068 0.001 . 1 . . 151 . . 117 THR H . 51763 1 540 . 1 . 1 117 117 THR C C 13 174.560 . . 1 . . 492 . . 117 THR C . 51763 1 541 . 1 . 1 117 117 THR CA C 13 62.259 . . 1 . . 491 . . 117 THR CA . 51763 1 542 . 1 . 1 117 117 THR CB C 13 69.968 . . 1 . . 490 . . 117 THR CB . 51763 1 543 . 1 . 1 117 117 THR N N 15 114.415 0.003 . 1 . . 152 . . 117 THR N . 51763 1 544 . 1 . 1 118 118 SER H H 1 8.260 0.002 . 1 . . 81 . . 118 SER H . 51763 1 545 . 1 . 1 118 118 SER C C 13 174.664 0.011 . 1 . . 461 . . 118 SER C . 51763 1 546 . 1 . 1 118 118 SER CA C 13 58.515 0.026 . 1 . . 460 . . 118 SER CA . 51763 1 547 . 1 . 1 118 118 SER CB C 13 63.960 . . 1 . . 459 . . 118 SER CB . 51763 1 548 . 1 . 1 118 118 SER N N 15 117.793 0.006 . 1 . . 82 . . 118 SER N . 51763 1 549 . 1 . 1 119 119 SER H H 1 8.307 0.001 . 1 . . 55 . . 119 SER H . 51763 1 550 . 1 . 1 119 119 SER C C 13 174.503 0.006 . 1 . . 493 . . 119 SER C . 51763 1 551 . 1 . 1 119 119 SER CA C 13 58.663 0.017 . 1 . . 495 . . 119 SER CA . 51763 1 552 . 1 . 1 119 119 SER CB C 13 63.913 0.007 . 1 . . 494 . . 119 SER CB . 51763 1 553 . 1 . 1 119 119 SER N N 15 117.372 0.012 . 1 . . 56 . . 119 SER N . 51763 1 554 . 1 . 1 120 120 ARG H H 1 8.299 0.001 . 1 . . 571 . . 120 ARG H . 51763 1 555 . 1 . 1 120 120 ARG C C 13 175.408 . . 1 . . 573 . . 120 ARG C . 51763 1 556 . 1 . 1 120 120 ARG CA C 13 55.677 . . 1 . . 574 . . 120 ARG CA . 51763 1 557 . 1 . 1 120 120 ARG CB C 13 33.055 . . 1 . . 575 . . 120 ARG CB . 51763 1 558 . 1 . 1 120 120 ARG N N 15 121.540 0.079 . 1 . . 572 . . 120 ARG N . 51763 1 559 . 1 . 1 123 123 SER H H 1 8.307 0.0 . 1 . . 590 . . 123 SER H . 51763 1 560 . 1 . 1 123 123 SER C C 13 174.328 . . 1 . . 592 . . 123 SER C . 51763 1 561 . 1 . 1 123 123 SER CA C 13 58.582 . . 1 . . 593 . . 123 SER CA . 51763 1 562 . 1 . 1 123 123 SER CB C 13 63.933 . . 1 . . 594 . . 123 SER CB . 51763 1 563 . 1 . 1 123 123 SER N N 15 117.763 0.037 . 1 . . 591 . . 123 SER N . 51763 1 564 . 1 . 1 125 125 SER H H 1 8.368 0.001 . 1 . . 39 . . 125 SER H . 51763 1 565 . 1 . 1 125 125 SER C C 13 174.640 0.02 . 1 . . 567 . . 125 SER C . 51763 1 566 . 1 . 1 125 125 SER CA C 13 58.555 0.03 . 1 . . 565 . . 125 SER CA . 51763 1 567 . 1 . 1 125 125 SER CB C 13 63.981 0.001 . 1 . . 566 . . 125 SER CB . 51763 1 568 . 1 . 1 125 125 SER N N 15 116.978 0.026 . 1 . . 40 . . 125 SER N . 51763 1 569 . 1 . 1 126 126 MET H H 1 8.407 0.001 . 1 . . 73 . . 126 MET H . 51763 1 570 . 1 . 1 126 126 MET C C 13 176.280 0.009 . 1 . . 568 . . 126 MET C . 51763 1 571 . 1 . 1 126 126 MET CA C 13 56.001 0.005 . 1 . . 570 . . 126 MET CA . 51763 1 572 . 1 . 1 126 126 MET CB C 13 32.843 0.014 . 1 . . 569 . . 126 MET CB . 51763 1 573 . 1 . 1 126 126 MET N N 15 122.162 0.034 . 1 . . 74 . . 126 MET N . 51763 1 574 . 1 . 1 127 127 GLU H H 1 8.387 0.001 . 1 . . 37 . . 127 GLU H . 51763 1 575 . 1 . 1 127 127 GLU C C 13 176.594 . . 1 . . 576 . . 127 GLU C . 51763 1 576 . 1 . 1 127 127 GLU CA C 13 57.067 . . 1 . . 577 . . 127 GLU CA . 51763 1 577 . 1 . 1 127 127 GLU CB C 13 30.270 . . 1 . . 578 . . 127 GLU CB . 51763 1 578 . 1 . 1 127 127 GLU N N 15 121.159 0.021 . 1 . . 38 . . 127 GLU N . 51763 1 579 . 1 . 1 131 131 HIS H H 1 8.480 0.001 . 1 . . 586 . . 131 HIS H . 51763 1 580 . 1 . 1 131 131 HIS C C 13 174.557 0.005 . 1 . . 585 . . 131 HIS C . 51763 1 581 . 1 . 1 131 131 HIS CA C 13 55.233 0.01 . 1 . . 588 . . 131 HIS CA . 51763 1 582 . 1 . 1 131 131 HIS CB C 13 29.359 0.008 . 1 . . 589 . . 131 HIS CB . 51763 1 583 . 1 . 1 131 131 HIS N N 15 119.734 0.008 . 1 . . 587 . . 131 HIS N . 51763 1 584 . 1 . 1 132 132 THR H H 1 8.286 0.001 . 1 . . 135 . . 132 THR H . 51763 1 585 . 1 . 1 132 132 THR C C 13 173.722 0.007 . 1 . . 484 . . 132 THR C . 51763 1 586 . 1 . 1 132 132 THR CA C 13 62.137 0.047 . 1 . . 483 . . 132 THR CA . 51763 1 587 . 1 . 1 132 132 THR CB C 13 69.981 . . 1 . . 584 . . 132 THR CB . 51763 1 588 . 1 . 1 132 132 THR N N 15 115.976 0.007 . 1 . . 136 . . 132 THR N . 51763 1 589 . 1 . 1 133 133 CYS H H 1 8.045 0.001 . 1 . . 580 . . 133 CYS H . 51763 1 590 . 1 . 1 133 133 CYS C C 13 178.509 . . 1 . . 579 . . 133 CYS C . 51763 1 591 . 1 . 1 133 133 CYS CA C 13 59.483 . . 1 . . 583 . . 133 CYS CA . 51763 1 592 . 1 . 1 133 133 CYS CB C 13 29.100 . . 1 . . 582 . . 133 CYS CB . 51763 1 593 . 1 . 1 133 133 CYS N N 15 125.123 0.013 . 1 . . 581 . . 133 CYS N . 51763 1 stop_ save_