################################### # 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 50251 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'backbone chemical shift assignments' _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 3 '3D TROSY-HNCO' . . . 50251 1 4 '3D TROSY-HN(CA)CO' . . . 50251 1 5 '3D TROSY-HNCA' . . . 50251 1 6 '3D TROSY-HN(CO)CA' . . . 50251 1 7 '3D TROSY-HN(CA)CB' . . . 50251 1 8 '3D TROSY-HN(COCA)CB' . . . 50251 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 3 $software_3 . . 50251 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 12 12 PRO C C 13 176.1157 0.0000 . 1 . . 19011 . . 390 PRO C . 50251 1 2 . 1 . 1 12 12 PRO CA C 13 62.2833 0.0000 . 1 . . 19611 . . 390 PRO CA . 50251 1 3 . 1 . 1 12 12 PRO CB C 13 30.5161 0.0000 . 1 . . 18360 . . 390 PRO CB . 50251 1 4 . 1 . 1 13 13 TYR H H 1 7.7064 0.0000 . 1 . . 19609 . . 391 TYR H . 50251 1 5 . 1 . 1 13 13 TYR C C 13 175.5976 0.0000 . 1 . . 19002 . . 391 TYR C . 50251 1 6 . 1 . 1 13 13 TYR CA C 13 57.2266 0.0000 . 1 . . 19626 . . 391 TYR CA . 50251 1 7 . 1 . 1 13 13 TYR CB C 13 37.6222 0.0000 . 1 . . 18360 . . 391 TYR CB . 50251 1 8 . 1 . 1 13 13 TYR N N 15 119.8772 0.0000 . 1 . . 19610 . . 391 TYR N . 50251 1 9 . 1 . 1 14 14 VAL H H 1 8.0135 0.0000 . 1 . . 18865 . . 392 VAL H . 50251 1 10 . 1 . 1 14 14 VAL C C 13 174.9539 0.0000 . 1 . . 18867 . . 392 VAL C . 50251 1 11 . 1 . 1 14 14 VAL CA C 13 59.5060 0.0000 . 1 . . 19479 . . 392 VAL CA . 50251 1 12 . 1 . 1 14 14 VAL CB C 13 32.8110 0.0000 . 1 . . 18213 . . 392 VAL CB . 50251 1 13 . 1 . 1 14 14 VAL N N 15 122.1753 0.0000 . 1 . . 18866 . . 392 VAL N . 50251 1 14 . 1 . 1 15 15 ASP H H 1 8.3638 0.0000 . 1 . . 21502 . . 393 ASP H . 50251 1 15 . 1 . 1 15 15 ASP C C 13 175.6591 0.0000 . 1 . . 18780 . . 393 ASP C . 50251 1 16 . 1 . 1 15 15 ASP CA C 13 51.2277 0.0000 . 1 . . 19362 . . 393 ASP CA . 50251 1 17 . 1 . 1 15 15 ASP CB C 13 41.0523 0.0000 . 1 . . 18093 . . 393 ASP CB . 50251 1 18 . 1 . 1 15 15 ASP N N 15 126.5583 0.0000 . 1 . . 21503 . . 393 ASP N . 50251 1 19 . 1 . 1 16 16 PRO C C 13 177.0651 0.0000 . 1 . . 19107 . . 394 PRO C . 50251 1 20 . 1 . 1 16 16 PRO CA C 13 63.0294 0.0000 . 1 . . 19770 . . 394 PRO CA . 50251 1 21 . 1 . 1 16 16 PRO CB C 13 30.9740 0.0000 . 1 . . 18501 . . 394 PRO CB . 50251 1 22 . 1 . 1 17 17 HIS H H 1 8.5430 0.0000 . 1 . . . . . 395 HIS H . 50251 1 23 . 1 . 1 17 17 HIS C C 13 175.7923 0.0000 . 1 . . 19113 . . 395 HIS C . 50251 1 24 . 1 . 1 17 17 HIS CA C 13 55.4747 0.0000 . 1 . . 19776 . . 395 HIS CA . 50251 1 25 . 1 . 1 17 17 HIS CB C 13 28.6034 0.0000 . 1 . . 18507 . . 395 HIS CB . 50251 1 26 . 1 . 1 17 17 HIS N N 15 116.9309 0.0000 . 1 . . . . . 395 HIS N . 50251 1 27 . 1 . 1 18 18 LYS H H 1 7.1662 0.0000 . 1 . . . . . 396 LYS H . 50251 1 28 . 1 . 1 18 18 LYS C C 13 176.0576 0.0000 . 1 . . 18981 . . 396 LYS C . 50251 1 29 . 1 . 1 18 18 LYS CA C 13 55.2782 0.0000 . 1 . . 19608 . . 396 LYS CA . 50251 1 30 . 1 . 1 18 18 LYS CB C 13 33.8850 0.0000 . 1 . . 18333 . . 396 LYS CB . 50251 1 31 . 1 . 1 18 18 LYS N N 15 120.2645 0.0000 . 1 . . . . . 396 LYS N . 50251 1 32 . 1 . 1 19 19 SER H H 1 8.9054 0.0000 . 1 . . . . . 397 SER H . 50251 1 33 . 1 . 1 19 19 SER C C 13 175.1765 0.0000 . 1 . . 19086 . . 397 SER C . 50251 1 34 . 1 . 1 19 19 SER CA C 13 56.7714 0.0000 . 1 . . 19743 . . 397 SER CA . 50251 1 35 . 1 . 1 19 19 SER CB C 13 65.0363 0.0000 . 1 . . 18468 . . 397 SER CB . 50251 1 36 . 1 . 1 19 19 SER N N 15 118.2344 0.0000 . 1 . . . . . 397 SER N . 50251 1 37 . 1 . 1 20 20 GLY H H 1 9.0220 0.0000 . 1 . . . . . 398 GLY H . 50251 1 38 . 1 . 1 20 20 GLY C C 13 176.8584 0.0000 . 1 . . 19197 . . 398 GLY C . 50251 1 39 . 1 . 1 20 20 GLY CA C 13 47.0756 0.0000 . 1 . . 19962 . . 398 GLY CA . 50251 1 40 . 1 . 1 20 20 GLY N N 15 109.6471 0.0000 . 1 . . . . . 398 GLY N . 50251 1 41 . 1 . 1 21 21 HIS C C 13 177.6413 0.0000 . 1 . . 18954 . . 399 HIS C . 50251 1 42 . 1 . 1 21 21 HIS CA C 13 58.9825 0.0000 . 1 . . 21144 . . 399 HIS CA . 50251 1 43 . 1 . 1 21 21 HIS CB C 13 29.0647 0.0000 . 1 . . 20157 . . 399 HIS CB . 50251 1 44 . 1 . 1 22 22 GLU H H 1 7.5781 0.0000 . 1 . . 18928 . . 400 GLU H . 50251 1 45 . 1 . 1 22 22 GLU C C 13 180.0048 0.0000 . 1 . . 18930 . . 400 GLU C . 50251 1 46 . 1 . 1 22 22 GLU CA C 13 58.5454 0.0000 . 1 . . 19566 . . 400 GLU CA . 50251 1 47 . 1 . 1 22 22 GLU CB C 13 29.3401 0.0000 . 1 . . 18309 . . 400 GLU CB . 50251 1 48 . 1 . 1 22 22 GLU N N 15 120.6601 0.0000 . 1 . . 18929 . . 400 GLU N . 50251 1 49 . 1 . 1 23 23 ILE H H 1 8.4661 0.0000 . 1 . . 21586 . . 401 ILE H . 50251 1 50 . 1 . 1 23 23 ILE C C 13 178.7806 0.0000 . 1 . . 18894 . . 401 ILE C . 50251 1 51 . 1 . 1 23 23 ILE CA C 13 63.3806 0.0000 . 1 . . 19503 . . 401 ILE CA . 50251 1 52 . 1 . 1 23 23 ILE CB C 13 36.4466 0.0000 . 1 . . 18240 . . 401 ILE CB . 50251 1 53 . 1 . 1 23 23 ILE N N 15 121.5898 0.0000 . 1 . . 21587 . . 401 ILE N . 50251 1 54 . 1 . 1 24 24 TRP H H 1 8.3672 0.0000 . 1 . . 21601 . . 402 TRP H . 50251 1 55 . 1 . 1 24 24 TRP C C 13 177.8946 0.0000 . 1 . . 18912 . . 402 TRP C . 50251 1 56 . 1 . 1 24 24 TRP CA C 13 60.2205 0.0000 . 1 . . 19533 . . 402 TRP CA . 50251 1 57 . 1 . 1 24 24 TRP CB C 13 27.7505 0.0000 . 1 . . 18270 . . 402 TRP CB . 50251 1 58 . 1 . 1 24 24 TRP N N 15 121.1635 0.0000 . 1 . . 21602 . . 402 TRP N . 50251 1 59 . 1 . 1 25 25 GLU H H 1 8.2456 0.0000 . 1 . . 19666 . . 403 GLU H . 50251 1 60 . 1 . 1 25 25 GLU C C 13 179.3248 0.0000 . 1 . . 22606 . . 403 GLU C . 50251 1 61 . 1 . 1 25 25 GLU CA C 13 58.8814 0.0000 . 1 . . 22602 . . 403 GLU CA . 50251 1 62 . 1 . 1 25 25 GLU CB C 13 28.3558 0.0000 . 1 . . 22604 . . 403 GLU CB . 50251 1 63 . 1 . 1 25 25 GLU N N 15 119.4911 0.0000 . 1 . . 19667 . . 403 GLU N . 50251 1 64 . 1 . 1 26 26 GLU H H 1 7.7025 0.0000 . 1 . . 21661 . . 404 GLU H . 50251 1 65 . 1 . 1 26 26 GLU C C 13 179.2136 0.0000 . 1 . . 22444 . . 404 GLU C . 50251 1 66 . 1 . 1 26 26 GLU CA C 13 58.7073 0.0000 . 1 . . 22436 . . 404 GLU CA . 50251 1 67 . 1 . 1 26 26 GLU CB C 13 28.6133 0.0000 . 1 . . 22440 . . 404 GLU CB . 50251 1 68 . 1 . 1 26 26 GLU N N 15 119.9589 0.0000 . 1 . . 21662 . . 404 GLU N . 50251 1 69 . 1 . 1 27 27 PHE H H 1 8.1926 0.0000 . 1 . . 19237 . . 405 PHE H . 50251 1 70 . 1 . 1 27 27 PHE C C 13 177.7034 0.0000 . 1 . . 19317 . . 405 PHE C . 50251 1 71 . 1 . 1 27 27 PHE CA C 13 56.8142 0.0000 . 1 . . 19416 . . 405 PHE CA . 50251 1 72 . 1 . 1 27 27 PHE CB C 13 37.8957 0.0000 . 1 . . 18135 . . 405 PHE CB . 50251 1 73 . 1 . 1 27 27 PHE N N 15 123.5145 0.0000 . 1 . . 19238 . . 405 PHE N . 50251 1 74 . 1 . 1 28 28 SER H H 1 8.3998 0.0000 . 1 . . 19315 . . 406 SER H . 50251 1 75 . 1 . 1 28 28 SER CA C 13 59.1269 0.0000 . 1 . . 22590 . . 406 SER CA . 50251 1 76 . 1 . 1 28 28 SER CB C 13 61.2569 0.0000 . 1 . . 22594 . . 406 SER CB . 50251 1 77 . 1 . 1 28 28 SER N N 15 114.8082 0.0000 . 1 . . 19316 . . 406 SER N . 50251 1 78 . 1 . 1 29 29 MET H H 1 7.3219 0.0000 . 1 . . 19588 . . 407 MET H . 50251 1 79 . 1 . 1 29 29 MET C C 13 177.3237 0.0000 . 1 . . 18957 . . 407 MET C . 50251 1 80 . 1 . 1 29 29 MET CA C 13 57.3383 0.0000 . 1 . . 19590 . . 407 MET CA . 50251 1 81 . 1 . 1 29 29 MET CB C 13 31.2133 0.0000 . 1 . . 18300 . . 407 MET CB . 50251 1 82 . 1 . 1 29 29 MET N N 15 120.5531 0.0000 . 1 . . 19589 . . 407 MET N . 50251 1 83 . 1 . 1 30 30 SER H H 1 7.3802 0.0000 . 1 . . 19912 . . 408 SER H . 50251 1 84 . 1 . 1 30 30 SER C C 13 177.3176 0.0000 . 1 . . 22638 . . 408 SER C . 50251 1 85 . 1 . 1 30 30 SER CA C 13 59.5659 0.0000 . 1 . . 19914 . . 408 SER CA . 50251 1 86 . 1 . 1 30 30 SER CB C 13 63.4526 0.0000 . 1 . . 18624 . . 408 SER CB . 50251 1 87 . 1 . 1 30 30 SER N N 15 112.3164 0.0000 . 1 . . 19913 . . 408 SER N . 50251 1 88 . 1 . 1 33 33 PRO C C 13 179.0662 0.0000 . 1 . . 19026 . . 411 PRO C . 50251 1 89 . 1 . 1 33 33 PRO CA C 13 66.1249 0.0000 . 1 . . 19662 . . 411 PRO CA . 50251 1 90 . 1 . 1 33 33 PRO CB C 13 29.8834 0.0000 . 1 . . 18390 . . 411 PRO CB . 50251 1 91 . 1 . 1 34 34 ALA H H 1 7.4335 0.0000 . 1 . . 19675 . . 412 ALA H . 50251 1 92 . 1 . 1 34 34 ALA C C 13 180.1700 0.0000 . 1 . . 19017 . . 412 ALA C . 50251 1 93 . 1 . 1 34 34 ALA CA C 13 54.4515 0.0000 . 1 . . 19677 . . 412 ALA CA . 50251 1 94 . 1 . 1 34 34 ALA CB C 13 17.0804 0.0000 . 1 . . 18396 . . 412 ALA CB . 50251 1 95 . 1 . 1 34 34 ALA N N 15 119.5135 0.0000 . 1 . . 19676 . . 412 ALA N . 50251 1 96 . 1 . 1 35 35 VAL H H 1 7.8458 0.0000 . 1 . . 19651 . . 413 VAL H . 50251 1 97 . 1 . 1 35 35 VAL C C 13 179.6282 0.0000 . 1 . . 19008 . . 413 VAL C . 50251 1 98 . 1 . 1 35 35 VAL CA C 13 66.7755 0.0000 . 1 . . 19641 . . 413 VAL CA . 50251 1 99 . 1 . 1 35 35 VAL CB C 13 31.0908 0.0000 . 1 . . 18378 . . 413 VAL CB . 50251 1 100 . 1 . 1 35 35 VAL N N 15 119.7248 0.0000 . 1 . . 19652 . . 413 VAL N . 50251 1 101 . 1 . 1 36 36 LYS H H 1 8.6195 0.0000 . 1 . . 18973 . . 414 LYS H . 50251 1 102 . 1 . 1 36 36 LYS C C 13 179.6147 0.0000 . 1 . . 18975 . . 414 LYS C . 50251 1 103 . 1 . 1 36 36 LYS CA C 13 59.1092 0.0000 . 1 . . 19602 . . 414 LYS CA . 50251 1 104 . 1 . 1 36 36 LYS CB C 13 30.5893 0.0000 . 1 . . 18336 . . 414 LYS CB . 50251 1 105 . 1 . 1 36 36 LYS N N 15 120.1814 0.0000 . 1 . . 18974 . . 414 LYS N . 50251 1 106 . 1 . 1 37 37 GLU H H 1 7.8712 0.0000 . 1 . . 19285 . . 415 GLU H . 50251 1 107 . 1 . 1 37 37 GLU C C 13 179.8743 0.0000 . 1 . . 22462 . . 415 GLU C . 50251 1 108 . 1 . 1 37 37 GLU CA C 13 58.6827 0.0000 . 1 . . 22454 . . 415 GLU CA . 50251 1 109 . 1 . 1 37 37 GLU CB C 13 28.3043 0.0000 . 1 . . 22458 . . 415 GLU CB . 50251 1 110 . 1 . 1 37 37 GLU N N 15 118.8594 0.0000 . 1 . . 19286 . . 415 GLU N . 50251 1 111 . 1 . 1 38 38 VAL H H 1 7.6727 0.0000 . 1 . . 18895 . . 416 VAL H . 50251 1 112 . 1 . 1 38 38 VAL C C 13 176.9691 0.0000 . 1 . . 18897 . . 416 VAL C . 50251 1 113 . 1 . 1 38 38 VAL CA C 13 66.5187 0.0000 . 1 . . 20046 . . 416 VAL CA . 50251 1 114 . 1 . 1 38 38 VAL CB C 13 29.8098 0.0000 . 1 . . 18243 . . 416 VAL CB . 50251 1 115 . 1 . 1 38 38 VAL N N 15 121.5813 0.0000 . 1 . . 18896 . . 416 VAL N . 50251 1 116 . 1 . 1 39 39 VAL H H 1 7.4467 0.0000 . 1 . . 19585 . . 417 VAL H . 50251 1 117 . 1 . 1 39 39 VAL C C 13 178.2691 0.0000 . 1 . . 21789 . . 417 VAL C . 50251 1 118 . 1 . 1 39 39 VAL CA C 13 66.3854 0.0000 . 1 . . 19806 . . 417 VAL CA . 50251 1 119 . 1 . 1 39 39 VAL CB C 13 30.6785 0.0000 . 1 . . 20295 . . 417 VAL CB . 50251 1 120 . 1 . 1 39 39 VAL N N 15 120.6718 0.0000 . 1 . . 19586 . . 417 VAL N . 50251 1 121 . 1 . 1 40 40 GLU H H 1 7.5885 0.0000 . 1 . . 19138 . . 418 GLU H . 50251 1 122 . 1 . 1 40 40 GLU C C 13 178.8826 0.0000 . 1 . . 19140 . . 418 GLU C . 50251 1 123 . 1 . 1 40 40 GLU CA C 13 58.0082 0.0000 . 1 . . 19812 . . 418 GLU CA . 50251 1 124 . 1 . 1 40 40 GLU CB C 13 28.0215 0.0000 . 1 . . 18531 . . 418 GLU CB . 50251 1 125 . 1 . 1 40 40 GLU N N 15 116.5606 0.0000 . 1 . . 19139 . . 418 GLU N . 50251 1 126 . 1 . 1 41 41 PHE H H 1 8.0796 0.0000 . 1 . . 18907 . . 419 PHE H . 50251 1 127 . 1 . 1 41 41 PHE C C 13 177.5370 0.0000 . 1 . . 18909 . . 419 PHE C . 50251 1 128 . 1 . 1 41 41 PHE CA C 13 59.6985 0.0000 . 1 . . 19521 . . 419 PHE CA . 50251 1 129 . 1 . 1 41 41 PHE CB C 13 38.1034 0.0000 . 1 . . 18252 . . 419 PHE CB . 50251 1 130 . 1 . 1 41 41 PHE N N 15 121.3073 0.0000 . 1 . . 18908 . . 419 PHE N . 50251 1 131 . 1 . 1 42 42 ALA H H 1 8.3999 0.0000 . 1 . . 21544 . . 420 ALA H . 50251 1 132 . 1 . 1 42 42 ALA C C 13 178.4557 0.0000 . 1 . . 18831 . . 420 ALA C . 50251 1 133 . 1 . 1 42 42 ALA CA C 13 53.3541 0.0000 . 1 . . 19452 . . 420 ALA CA . 50251 1 134 . 1 . 1 42 42 ALA CB C 13 17.1793 0.0000 . 1 . . 18180 . . 420 ALA CB . 50251 1 135 . 1 . 1 42 42 ALA N N 15 123.1124 0.0000 . 1 . . 21545 . . 420 ALA N . 50251 1 136 . 1 . 1 43 43 LYS H H 1 7.2003 0.0000 . 1 . . 21922 . . 421 LYS H . 50251 1 137 . 1 . 1 43 43 LYS C C 13 178.1351 0.0000 . 1 . . 19182 . . 421 LYS C . 50251 1 138 . 1 . 1 43 43 LYS CA C 13 58.2108 0.0000 . 1 . . 19950 . . 421 LYS CA . 50251 1 139 . 1 . 1 43 43 LYS CB C 13 31.5625 0.0000 . 1 . . 18642 . . 421 LYS CB . 50251 1 140 . 1 . 1 43 43 LYS N N 15 111.8881 0.0000 . 1 . . 21923 . . 421 LYS N . 50251 1 141 . 1 . 1 44 44 ARG H H 1 7.2662 0.0000 . 1 . . 19777 . . 422 ARG H . 50251 1 142 . 1 . 1 44 44 ARG C C 13 176.9358 0.0000 . 1 . . 19110 . . 422 ARG C . 50251 1 143 . 1 . 1 44 44 ARG CA C 13 55.2393 0.0000 . 1 . . 19779 . . 422 ARG CA . 50251 1 144 . 1 . 1 44 44 ARG CB C 13 29.4643 0.0000 . 1 . . 18504 . . 422 ARG CB . 50251 1 145 . 1 . 1 44 44 ARG N N 15 116.8101 0.0000 . 1 . . 19778 . . 422 ARG N . 50251 1 146 . 1 . 1 45 45 ILE H H 1 7.4367 0.0000 . 1 . . 18799 . . 423 ILE H . 50251 1 147 . 1 . 1 45 45 ILE C C 13 174.9468 0.0000 . 1 . . 18801 . . 423 ILE C . 50251 1 148 . 1 . 1 45 45 ILE CA C 13 59.3982 0.0000 . 1 . . 19377 . . 423 ILE CA . 50251 1 149 . 1 . 1 45 45 ILE CB C 13 37.3726 0.0000 . 1 . . 18108 . . 423 ILE CB . 50251 1 150 . 1 . 1 45 45 ILE N N 15 125.6932 0.0000 . 1 . . 18800 . . 423 ILE N . 50251 1 151 . 1 . 1 46 46 PRO C C 13 176.8136 0.0000 . 1 . . 21918 . . 424 PRO C . 50251 1 152 . 1 . 1 46 46 PRO CA C 13 63.7766 0.0000 . 1 . . 19932 . . 424 PRO CA . 50251 1 153 . 1 . 1 46 46 PRO CB C 13 30.0347 0.0000 . 1 . . 19932 . . 424 PRO CB . 50251 1 154 . 1 . 1 47 47 GLY H H 1 8.4955 0.0000 . 1 . . . . . 425 GLY H . 50251 1 155 . 1 . 1 47 47 GLY C C 13 176.8047 0.0000 . 1 . . 19185 . . 425 GLY C . 50251 1 156 . 1 . 1 47 47 GLY CA C 13 45.0036 0.0000 . 1 . . 19944 . . 425 GLY CA . 50251 1 157 . 1 . 1 47 47 GLY N N 15 111.9796 0.0000 . 1 . . . . . 425 GLY N . 50251 1 158 . 1 . 1 48 48 PHE H H 1 8.2934 0.0000 . 1 . . . . . 426 PHE H . 50251 1 159 . 1 . 1 48 48 PHE C C 13 176.7869 0.0000 . 1 . . 18792 . . 426 PHE C . 50251 1 160 . 1 . 1 48 48 PHE CA C 13 61.9914 0.0000 . 1 . . 19371 . . 426 PHE CA . 50251 1 161 . 1 . 1 48 48 PHE CB C 13 39.8874 0.0000 . 1 . . 18105 . . 426 PHE CB . 50251 1 162 . 1 . 1 48 48 PHE N N 15 126.1723 0.0000 . 1 . . . . . 426 PHE N . 50251 1 163 . 1 . 1 49 49 ARG H H 1 8.2657 0.0000 . 1 . . . . . 427 ARG H . 50251 1 164 . 1 . 1 49 49 ARG C C 13 175.5740 0.0000 . 1 . . 19191 . . 427 ARG C . 50251 1 165 . 1 . 1 49 49 ARG CA C 13 56.4310 0.0000 . 1 . . 19941 . . 427 ARG CA . 50251 1 166 . 1 . 1 49 49 ARG CB C 13 28.2663 0.0000 . 1 . . 18651 . . 427 ARG CB . 50251 1 167 . 1 . 1 49 49 ARG N N 15 111.9645 0.0000 . 1 . . . . . 427 ARG N . 50251 1 168 . 1 . 1 50 50 ASP H H 1 6.9858 0.0000 . 1 . . . . . 428 ASP H . 50251 1 169 . 1 . 1 50 50 ASP C C 13 178.0998 0.0000 . 1 . . 19131 . . 428 ASP C . 50251 1 170 . 1 . 1 50 50 ASP CA C 13 53.9988 0.0000 . 1 . . 19803 . . 428 ASP CA . 50251 1 171 . 1 . 1 50 50 ASP CB C 13 40.5543 0.0000 . 1 . . 18510 . . 428 ASP CB . 50251 1 172 . 1 . 1 50 50 ASP N N 15 116.6732 0.0000 . 1 . . . . . 428 ASP N . 50251 1 173 . 1 . 1 51 51 LEU H H 1 7.0782 0.0000 . 1 . . . . . 429 LEU H . 50251 1 174 . 1 . 1 51 51 LEU C C 13 177.7537 0.0000 . 1 . . 19293 . . 429 LEU C . 50251 1 175 . 1 . 1 51 51 LEU CA C 13 53.6783 0.0000 . 1 . . 22190 . . 429 LEU CA . 50251 1 176 . 1 . 1 51 51 LEU CB C 13 40.6445 0.0000 . 1 . . 22193 . . 429 LEU CB . 50251 1 177 . 1 . 1 51 51 LEU N N 15 120.6067 0.0000 . 1 . . . . . 429 LEU N . 50251 1 178 . 1 . 1 52 52 SER H H 1 9.5181 0.0000 . 1 . . . . . 430 SER H . 50251 1 179 . 1 . 1 52 52 SER C C 13 175.1176 0.0000 . 1 . . 22216 . . 430 SER C . 50251 1 180 . 1 . 1 52 52 SER CA C 13 57.4225 0.0000 . 1 . . 19647 . . 430 SER CA . 50251 1 181 . 1 . 1 52 52 SER CB C 13 63.5148 0.0000 . 1 . . 18369 . . 430 SER CB . 50251 1 182 . 1 . 1 52 52 SER N N 15 119.6888 0.0000 . 1 . . . . . 430 SER N . 50251 1 183 . 1 . 1 53 53 GLN H H 1 8.9557 0.0000 . 1 . . . . . 431 GLN H . 50251 1 184 . 1 . 1 53 53 GLN C C 13 177.9162 0.0000 . 1 . . 18840 . . 431 GLN C . 50251 1 185 . 1 . 1 53 53 GLN CA C 13 59.0966 0.0000 . 1 . . 19431 . . 431 GLN CA . 50251 1 186 . 1 . 1 53 53 GLN CB C 13 26.7744 0.0000 . 1 . . 18177 . . 431 GLN CB . 50251 1 187 . 1 . 1 53 53 GLN N N 15 123.0571 0.0000 . 1 . . . . . 431 GLN N . 50251 1 188 . 1 . 1 54 54 HIS H H 1 8.4660 0.0000 . 1 . . . . . 432 HIS H . 50251 1 189 . 1 . 1 54 54 HIS C C 13 177.1756 0.0000 . 1 . . 19161 . . 432 HIS C . 50251 1 190 . 1 . 1 54 54 HIS CA C 13 58.7006 0.0000 . 1 . . 19827 . . 432 HIS CA . 50251 1 191 . 1 . 1 54 54 HIS CB C 13 28.7058 0.0000 . 1 . . 18549 . . 432 HIS CB . 50251 1 192 . 1 . 1 54 54 HIS N N 15 115.9525 0.0000 . 1 . . . . . 432 HIS N . 50251 1 193 . 1 . 1 71 71 ARG C C 13 178.3176 0.0000 . 1 . . 19167 . . 449 ARG C . 50251 1 194 . 1 . 1 71 71 ARG CA C 13 58.2529 0.0000 . 1 . . 19839 . . 449 ARG CA . 50251 1 195 . 1 . 1 71 71 ARG CB C 13 29.3722 0.0000 . 1 . . 18567 . . 449 ARG CB . 50251 1 196 . 1 . 1 72 72 PHE H H 1 8.6526 0.0000 . 1 . . 19837 . . 450 PHE H . 50251 1 197 . 1 . 1 72 72 PHE C C 13 175.4745 0.0000 . 1 . . 19314 . . 450 PHE C . 50251 1 198 . 1 . 1 72 72 PHE CA C 13 57.2529 0.0000 . 1 . . 19842 . . 450 PHE CA . 50251 1 199 . 1 . 1 72 72 PHE CB C 13 35.9640 0.0000 . 1 . . 18564 . . 450 PHE CB . 50251 1 200 . 1 . 1 72 72 PHE N N 15 115.0417 0.0000 . 1 . . 19838 . . 450 PHE N . 50251 1 201 . 1 . 1 73 73 ALA H H 1 7.2811 0.0000 . 1 . . 19378 . . 451 ALA H . 50251 1 202 . 1 . 1 73 73 ALA C C 13 179.7004 0.0000 . 1 . . 18795 . . 451 ALA C . 50251 1 203 . 1 . 1 73 73 ALA CA C 13 55.0272 0.0000 . 1 . . 19386 . . 451 ALA CA . 50251 1 204 . 1 . 1 73 73 ALA CB C 13 16.6648 0.0000 . 1 . . 18117 . . 451 ALA CB . 50251 1 205 . 1 . 1 73 73 ALA N N 15 125.5892 0.0000 . 1 . . 19379 . . 451 ALA N . 50251 1 206 . 1 . 1 74 74 SER H H 1 7.8924 0.0000 . 1 . . 19963 . . 452 SER H . 50251 1 207 . 1 . 1 74 74 SER CA C 13 58.9021 0.0000 . 1 . . 19506 . . 452 SER CA . 50251 1 208 . 1 . 1 74 74 SER CB C 13 62.2146 0.0000 . 1 . . 18231 . . 452 SER CB . 50251 1 209 . 1 . 1 74 74 SER N N 15 109.2265 0.0000 . 1 . . 19964 . . 452 SER N . 50251 1 210 . 1 . 1 75 75 LEU H H 1 7.8714 0.0000 . 1 . . 19516 . . 453 LEU H . 50251 1 211 . 1 . 1 75 75 LEU C C 13 176.8933 0.0000 . 1 . . 22556 . . 453 LEU C . 50251 1 212 . 1 . 1 75 75 LEU CA C 13 56.0843 0.0000 . 1 . . 22550 . . 453 LEU CA . 50251 1 213 . 1 . 1 75 75 LEU N N 15 121.6483 0.0000 . 1 . . 19517 . . 453 LEU N . 50251 1 214 . 1 . 1 76 76 PHE H H 1 7.3904 0.0000 . 1 . . 19069 . . 454 PHE H . 50251 1 215 . 1 . 1 76 76 PHE C C 13 173.9909 0.0000 . 1 . . 19080 . . 454 PHE C . 50251 1 216 . 1 . 1 76 76 PHE CA C 13 56.2985 0.0000 . 1 . . 19734 . . 454 PHE CA . 50251 1 217 . 1 . 1 76 76 PHE CB C 13 37.4184 0.0000 . 1 . . 18456 . . 454 PHE CB . 50251 1 218 . 1 . 1 76 76 PHE N N 15 118.4971 0.0000 . 1 . . 19070 . . 454 PHE N . 50251 1 219 . 1 . 1 77 77 ASP H H 1 8.5713 0.0000 . 1 . . 21556 . . 455 ASP H . 50251 1 220 . 1 . 1 77 77 ASP C C 13 176.7709 0.0000 . 1 . . 18843 . . 455 ASP C . 50251 1 221 . 1 . 1 77 77 ASP CA C 13 51.9692 0.0000 . 1 . . 19455 . . 455 ASP CA . 50251 1 222 . 1 . 1 77 77 ASP CB C 13 40.8227 0.0000 . 1 . . 18162 . . 455 ASP CB . 50251 1 223 . 1 . 1 77 77 ASP N N 15 123.0465 0.0000 . 1 . . 21557 . . 455 ASP N . 50251 1 224 . 1 . 1 78 78 ALA H H 1 8.8661 0.0000 . 1 . . 21493 . . 456 ALA H . 50251 1 225 . 1 . 1 78 78 ALA C C 13 178.2219 0.0000 . 1 . . 18762 . . 456 ALA C . 50251 1 226 . 1 . 1 78 78 ALA CA C 13 53.5763 0.0000 . 1 . . 19344 . . 456 ALA CA . 50251 1 227 . 1 . 1 78 78 ALA CB C 13 18.1847 0.0000 . 1 . . 18081 . . 456 ALA CB . 50251 1 228 . 1 . 1 78 78 ALA N N 15 127.8320 0.0000 . 1 . . 21494 . . 456 ALA N . 50251 1 229 . 1 . 1 79 79 LYS H H 1 8.1749 0.0000 . 1 . . 19306 . . 457 LYS H . 50251 1 230 . 1 . 1 79 79 LYS C C 13 178.2494 0.0000 . 1 . . 19068 . . 457 LYS C . 50251 1 231 . 1 . 1 79 79 LYS CA C 13 57.9679 0.0000 . 1 . . 19728 . . 457 LYS CA . 50251 1 232 . 1 . 1 79 79 LYS CB C 13 30.9839 0.0000 . 1 . . 18462 . . 457 LYS CB . 50251 1 233 . 1 . 1 79 79 LYS N N 15 118.5665 0.0000 . 1 . . 19307 . . 457 LYS N . 50251 1 234 . 1 . 1 80 80 GLU H H 1 7.6647 0.0000 . 1 . . 19807 . . 458 GLU H . 50251 1 235 . 1 . 1 80 80 GLU C C 13 176.0345 0.0000 . 1 . . 19134 . . 458 GLU C . 50251 1 236 . 1 . 1 80 80 GLU CA C 13 55.0313 0.0000 . 1 . . 19800 . . 458 GLU CA . 50251 1 237 . 1 . 1 80 80 GLU CB C 13 29.2347 0.0000 . 1 . . 18525 . . 458 GLU CB . 50251 1 238 . 1 . 1 80 80 GLU N N 15 116.5874 0.0000 . 1 . . 19808 . . 458 GLU N . 50251 1 239 . 1 . 1 81 81 ARG H H 1 8.0699 0.0000 . 1 . . 21793 . . 459 ARG H . 50251 1 240 . 1 . 1 81 81 ARG C C 13 175.0234 0.0000 . 1 . . 19146 . . 459 ARG C . 50251 1 241 . 1 . 1 81 81 ARG CA C 13 55.7613 0.0000 . 1 . . 20028 . . 459 ARG CA . 50251 1 242 . 1 . 1 81 81 ARG CB C 13 24.7965 0.0000 . 1 . . 18540 . . 459 ARG CB . 50251 1 243 . 1 . 1 81 81 ARG N N 15 116.2628 0.0000 . 1 . . 21794 . . 459 ARG N . 50251 1 244 . 1 . 1 82 82 THR H H 1 7.7154 0.0000 . 1 . . 19204 . . 460 THR H . 50251 1 245 . 1 . 1 82 82 THR C C 13 173.1820 0.0000 . 1 . . 19206 . . 460 THR C . 50251 1 246 . 1 . 1 82 82 THR CA C 13 58.3576 0.0000 . 1 . . 19974 . . 460 THR CA . 50251 1 247 . 1 . 1 82 82 THR CB C 13 72.4624 0.0000 . 1 . . 18681 . . 460 THR CB . 50251 1 248 . 1 . 1 82 82 THR N N 15 107.2900 0.0000 . 1 . . 19205 . . 460 THR N . 50251 1 249 . 1 . 1 83 83 VAL H H 1 9.1454 0.0000 . 1 . . 21607 . . 461 VAL H . 50251 1 250 . 1 . 1 83 83 VAL C C 13 175.0941 0.0000 . 1 . . 18915 . . 461 VAL C . 50251 1 251 . 1 . 1 83 83 VAL CA C 13 59.7305 0.0000 . 1 . . 19536 . . 461 VAL CA . 50251 1 252 . 1 . 1 83 83 VAL CB C 13 33.6149 0.0000 . 1 . . 18267 . . 461 VAL CB . 50251 1 253 . 1 . 1 83 83 VAL N N 15 121.1452 0.0000 . 1 . . 21608 . . 461 VAL N . 50251 1 254 . 1 . 1 84 84 THR H H 1 8.4576 0.0000 . 1 . . 21499 . . 462 THR H . 50251 1 255 . 1 . 1 84 84 THR C C 13 172.1277 0.0000 . 1 . . 18777 . . 462 THR C . 50251 1 256 . 1 . 1 84 84 THR CA C 13 61.9150 0.0000 . 1 . . 19353 . . 462 THR CA . 50251 1 257 . 1 . 1 84 84 THR CB C 13 68.8579 0.0000 . 1 . . 18087 . . 462 THR CB . 50251 1 258 . 1 . 1 84 84 THR N N 15 126.7862 0.0000 . 1 . . 21500 . . 462 THR N . 50251 1 259 . 1 . 1 85 85 PHE H H 1 8.7928 0.0000 . 1 . . 21508 . . 463 PHE H . 50251 1 260 . 1 . 1 85 85 PHE C C 13 180.1398 0.0000 . 1 . . 18786 . . 463 PHE C . 50251 1 261 . 1 . 1 85 85 PHE CA C 13 56.3613 0.0000 . 1 . . 19368 . . 463 PHE CA . 50251 1 262 . 1 . 1 85 85 PHE CB C 13 38.1705 0.0000 . 1 . . 18102 . . 463 PHE CB . 50251 1 263 . 1 . 1 85 85 PHE N N 15 126.3839 0.0000 . 1 . . 21509 . . 463 PHE N . 50251 1 264 . 1 . 1 86 86 LEU H H 1 8.3421 0.0000 . 1 . . 19249 . . 464 LEU H . 50251 1 265 . 1 . 1 86 86 LEU C C 13 178.2030 0.0000 . 1 . . 18861 . . 464 LEU C . 50251 1 266 . 1 . 1 86 86 LEU CA C 13 57.5504 0.0000 . 1 . . 19482 . . 464 LEU CA . 50251 1 267 . 1 . 1 86 86 LEU CB C 13 39.8615 0.0000 . 1 . . 18204 . . 464 LEU CB . 50251 1 268 . 1 . 1 86 86 LEU N N 15 122.0019 0.0000 . 1 . . 19250 . . 464 LEU N . 50251 1 269 . 1 . 1 87 87 SER H H 1 7.4588 0.0000 . 1 . . 22047 . . 465 SER H . 50251 1 270 . 1 . 1 87 87 SER C C 13 175.8908 0.0000 . 1 . . 22058 . . 465 SER C . 50251 1 271 . 1 . 1 87 87 SER CA C 13 57.7513 0.0000 . 1 . . 22049 . . 465 SER CA . 50251 1 272 . 1 . 1 87 87 SER CB C 13 64.0927 0.0000 . 1 . . 22052 . . 465 SER CB . 50251 1 273 . 1 . 1 87 87 SER N N 15 109.1316 0.0000 . 1 . . 22048 . . 465 SER N . 50251 1 274 . 1 . 1 88 88 GLY H H 1 8.6778 0.0000 . 1 . . 19333 . . 466 GLY H . 50251 1 275 . 1 . 1 88 88 GLY C C 13 173.7530 0.0000 . 1 . . 19194 . . 466 GLY C . 50251 1 276 . 1 . 1 88 88 GLY CA C 13 44.1307 0.0000 . 1 . . 19947 . . 466 GLY CA . 50251 1 277 . 1 . 1 88 88 GLY N N 15 111.9604 0.0000 . 1 . . 19334 . . 466 GLY N . 50251 1 278 . 1 . 1 89 89 LYS H H 1 7.5079 0.0000 . 1 . . 18880 . . 467 LYS H . 50251 1 279 . 1 . 1 89 89 LYS C C 13 174.3244 0.0000 . 1 . . 18882 . . 467 LYS C . 50251 1 280 . 1 . 1 89 89 LYS CA C 13 55.6727 0.0000 . 1 . . 19494 . . 467 LYS CA . 50251 1 281 . 1 . 1 89 89 LYS CB C 13 32.4028 0.0000 . 1 . . 18225 . . 467 LYS CB . 50251 1 282 . 1 . 1 89 89 LYS N N 15 121.9202 0.0000 . 1 . . 18881 . . 467 LYS N . 50251 1 283 . 1 . 1 90 90 LYS H H 1 7.9161 0.0000 . 1 . . 21616 . . 468 LYS H . 50251 1 284 . 1 . 1 90 90 LYS C C 13 175.8227 0.0000 . 1 . . 21645 . . 468 LYS C . 50251 1 285 . 1 . 1 90 90 LYS CA C 13 54.5231 0.0000 . 1 . . 19596 . . 468 LYS CA . 50251 1 286 . 1 . 1 90 90 LYS CB C 13 34.4065 0.0000 . 1 . . 20169 . . 468 LYS CB . 50251 1 287 . 1 . 1 90 90 LYS N N 15 120.9791 0.0000 . 1 . . 21617 . . 468 LYS N . 50251 1 288 . 1 . 1 91 91 TYR H H 1 8.7039 0.0000 . 1 . . 21643 . . 469 TYR H . 50251 1 289 . 1 . 1 91 91 TYR C C 13 175.1107 0.0000 . 1 . . 18966 . . 469 TYR C . 50251 1 290 . 1 . 1 91 91 TYR CA C 13 56.2875 0.0000 . 1 . . 19593 . . 469 TYR CA . 50251 1 291 . 1 . 1 91 91 TYR CB C 13 41.4834 0.0000 . 1 . . 18321 . . 469 TYR CB . 50251 1 292 . 1 . 1 91 91 TYR N N 15 120.3549 0.0000 . 1 . . 21644 . . 469 TYR N . 50251 1 293 . 1 . 1 92 92 SER H H 1 9.4604 0.0000 . 1 . . 21751 . . 470 SER H . 50251 1 294 . 1 . 1 92 92 SER C C 13 175.8621 0.0000 . 1 . . 19074 . . 470 SER C . 50251 1 295 . 1 . 1 92 92 SER CA C 13 56.7918 0.0000 . 1 . . 19731 . . 470 SER CA . 50251 1 296 . 1 . 1 92 92 SER CB C 13 64.4109 0.0000 . 1 . . 18450 . . 470 SER CB . 50251 1 297 . 1 . 1 92 92 SER N N 15 118.5719 0.0000 . 1 . . 21752 . . 470 SER N . 50251 1 298 . 1 . 1 93 93 VAL H H 1 8.2480 0.0000 . 1 . . 18850 . . 471 VAL H . 50251 1 299 . 1 . 1 93 93 VAL C C 13 176.4281 0.0000 . 1 . . 18849 . . 471 VAL C . 50251 1 300 . 1 . 1 93 93 VAL CA C 13 65.6767 0.0000 . 1 . . 19461 . . 471 VAL CA . 50251 1 301 . 1 . 1 93 93 VAL CB C 13 30.2938 0.0000 . 1 . . 18198 . . 471 VAL CB . 50251 1 302 . 1 . 1 93 93 VAL N N 15 122.2670 0.0000 . 1 . . 18851 . . 471 VAL N . 50251 1 303 . 1 . 1 94 94 ASP H H 1 7.9932 0.0000 . 1 . . 19030 . . 472 ASP H . 50251 1 304 . 1 . 1 94 94 ASP C C 13 179.1540 0.0000 . 1 . . 19023 . . 472 ASP C . 50251 1 305 . 1 . 1 94 94 ASP CA C 13 57.0534 0.0000 . 1 . . 19674 . . 472 ASP CA . 50251 1 306 . 1 . 1 94 94 ASP CB C 13 39.5452 0.0000 . 1 . . 18384 . . 472 ASP CB . 50251 1 307 . 1 . 1 94 94 ASP N N 15 119.5908 0.0000 . 1 . . 19031 . . 472 ASP N . 50251 1 308 . 1 . 1 95 95 ASP H H 1 7.8699 0.0000 . 1 . . 18877 . . 473 ASP H . 50251 1 309 . 1 . 1 95 95 ASP C C 13 179.3136 0.0000 . 1 . . 22548 . . 473 ASP C . 50251 1 310 . 1 . 1 95 95 ASP CA C 13 56.4595 0.0000 . 1 . . 22542 . . 473 ASP CA . 50251 1 311 . 1 . 1 95 95 ASP N N 15 121.7770 0.0000 . 1 . . 18878 . . 473 ASP N . 50251 1 312 . 1 . 1 96 96 LEU H H 1 8.1674 0.0000 . 1 . . 18982 . . 474 LEU H . 50251 1 313 . 1 . 1 96 96 LEU C C 13 180.5032 0.0000 . 1 . . 18984 . . 474 LEU C . 50251 1 314 . 1 . 1 96 96 LEU CA C 13 57.3727 0.0000 . 1 . . 20013 . . 474 LEU CA . 50251 1 315 . 1 . 1 96 96 LEU CB C 13 39.3419 0.0000 . 1 . . 18354 . . 474 LEU CB . 50251 1 316 . 1 . 1 96 96 LEU N N 15 120.0111 0.0000 . 1 . . 18983 . . 474 LEU N . 50251 1 317 . 1 . 1 97 97 HIS H H 1 9.0277 0.0000 . 1 . . 21649 . . 475 HIS H . 50251 1 318 . 1 . 1 97 97 HIS C C 13 179.2049 0.0000 . 1 . . 18978 . . 475 HIS C . 50251 1 319 . 1 . 1 97 97 HIS CA C 13 57.8214 0.0000 . 1 . . 19605 . . 475 HIS CA . 50251 1 320 . 1 . 1 97 97 HIS CB C 13 28.0094 0.0000 . 1 . . 18342 . . 475 HIS CB . 50251 1 321 . 1 . 1 97 97 HIS N N 15 120.2402 0.0000 . 1 . . 21650 . . 475 HIS N . 50251 1 322 . 1 . 1 98 98 SER H H 1 8.0605 0.0000 . 1 . . 21763 . . 476 SER H . 50251 1 323 . 1 . 1 98 98 SER CA C 13 61.1389 0.0000 . 1 . . 19755 . . 476 SER CA . 50251 1 324 . 1 . 1 98 98 SER CB C 13 62.4708 0.0000 . 1 . . 18480 . . 476 SER CB . 50251 1 325 . 1 . 1 98 98 SER N N 15 117.7888 0.0000 . 1 . . 21764 . . 476 SER N . 50251 1 326 . 1 . 1 99 99 MET H H 1 7.3988 0.0000 . 1 . . 18733 . . 477 MET H . 50251 1 327 . 1 . 1 99 99 MET C C 13 174.8525 0.0000 . 1 . . 19044 . . 477 MET C . 50251 1 328 . 1 . 1 99 99 MET CA C 13 56.0226 0.0000 . 1 . . 19695 . . 477 MET CA . 50251 1 329 . 1 . 1 99 99 MET CB C 13 33.6647 0.0000 . 1 . . 18408 . . 477 MET CB . 50251 1 330 . 1 . 1 99 99 MET N N 15 119.3432 0.0000 . 1 . . 18734 . . 477 MET N . 50251 1 331 . 1 . 1 100 100 GLY H H 1 7.4749 0.0000 . 1 . . 21943 . . 478 GLY H . 50251 1 332 . 1 . 1 100 100 GLY C C 13 175.0603 0.0000 . 1 . . 19209 . . 478 GLY C . 50251 1 333 . 1 . 1 100 100 GLY CA C 13 44.1645 0.0000 . 1 . . 19983 . . 478 GLY CA . 50251 1 334 . 1 . 1 100 100 GLY N N 15 104.1387 0.0000 . 1 . . 21944 . . 478 GLY N . 50251 1 335 . 1 . 1 101 101 ALA H H 1 8.2854 0.0000 . 1 . . 21529 . . 479 ALA H . 50251 1 336 . 1 . 1 101 101 ALA C C 13 177.5353 0.0000 . 1 . . 18816 . . 479 ALA C . 50251 1 337 . 1 . 1 101 101 ALA CA C 13 51.9881 0.0000 . 1 . . 19407 . . 479 ALA CA . 50251 1 338 . 1 . 1 101 101 ALA CB C 13 19.0659 0.0000 . 1 . . 18132 . . 479 ALA CB . 50251 1 339 . 1 . 1 101 101 ALA N N 15 123.6916 0.0000 . 1 . . 21530 . . 479 ALA N . 50251 1 340 . 1 . 1 102 102 GLY H H 1 10.7664 0.0000 . 1 . . 20029 . . 480 GLY H . 50251 1 341 . 1 . 1 102 102 GLY C C 13 174.2485 0.0000 . 1 . . 19329 . . 480 GLY C . 50251 1 342 . 1 . 1 102 102 GLY CA C 13 45.4621 0.0000 . 1 . . 19863 . . 480 GLY CA . 50251 1 343 . 1 . 1 102 102 GLY N N 15 114.1519 0.0000 . 1 . . 20030 . . 480 GLY N . 50251 1 344 . 1 . 1 103 103 ASP H H 1 8.7372 0.0000 . 1 . . 21496 . . 481 ASP H . 50251 1 345 . 1 . 1 103 103 ASP C C 13 178.5132 0.0000 . 1 . . 18768 . . 481 ASP C . 50251 1 346 . 1 . 1 103 103 ASP CA C 13 56.7875 0.0000 . 1 . . 19347 . . 481 ASP CA . 50251 1 347 . 1 . 1 103 103 ASP CB C 13 40.0504 0.0000 . 1 . . 18084 . . 481 ASP CB . 50251 1 348 . 1 . 1 103 103 ASP N N 15 127.1061 0.0000 . 1 . . 21497 . . 481 ASP N . 50251 1 349 . 1 . 1 104 104 LEU H H 1 9.0838 0.0000 . 1 . . 21541 . . 482 LEU H . 50251 1 350 . 1 . 1 104 104 LEU C C 13 178.1191 0.0000 . 1 . . 18834 . . 482 LEU C . 50251 1 351 . 1 . 1 104 104 LEU CA C 13 57.5691 0.0000 . 1 . . 19434 . . 482 LEU CA . 50251 1 352 . 1 . 1 104 104 LEU CB C 13 38.3340 0.0000 . 1 . . 18171 . . 482 LEU CB . 50251 1 353 . 1 . 1 104 104 LEU N N 15 123.0827 0.0000 . 1 . . 21542 . . 482 LEU N . 50251 1 354 . 1 . 1 105 105 LEU C C 13 178.3017 0.0000 . 1 . . 19116 . . 483 LEU C . 50251 1 355 . 1 . 1 105 105 LEU CA C 13 58.2825 0.0000 . 1 . . 19788 . . 483 LEU CA . 50251 1 356 . 1 . 1 105 105 LEU CB C 13 40.1439 0.0000 . 1 . . 18513 . . 483 LEU CB . 50251 1 357 . 1 . 1 106 106 ASN H H 1 7.4332 0.0000 . 1 . . 19114 . . 484 ASN H . 50251 1 358 . 1 . 1 106 106 ASN C C 13 178.6649 0.0000 . 1 . . 19311 . . 484 ASN C . 50251 1 359 . 1 . 1 106 106 ASN CA C 13 55.8017 0.0000 . 1 . . 19797 . . 484 ASN CA . 50251 1 360 . 1 . 1 106 106 ASN CB C 13 36.3645 0.0000 . 1 . . 18738 . . 484 ASN CB . 50251 1 361 . 1 . 1 106 106 ASN N N 15 116.6158 0.0000 . 1 . . 19115 . . 484 ASN N . 50251 1 362 . 1 . 1 107 107 SER H H 1 8.4829 0.0000 . 1 . . 19708 . . 485 SER H . 50251 1 363 . 1 . 1 107 107 SER C C 13 177.4761 0.0000 . 1 . . 19338 . . 485 SER C . 50251 1 364 . 1 . 1 107 107 SER CA C 13 61.6725 0.0000 . 1 . . 19401 . . 485 SER CA . 50251 1 365 . 1 . 1 107 107 SER CB C 13 62.5386 0.0000 . 1 . . 22566 . . 485 SER CB . 50251 1 366 . 1 . 1 107 107 SER N N 15 118.9666 0.0000 . 1 . . 19709 . . 485 SER N . 50251 1 367 . 1 . 1 108 108 MET H H 1 8.3334 0.0000 . 1 . . 19336 . . 486 MET H . 50251 1 368 . 1 . 1 108 108 MET C C 13 178.0784 0.0000 . 1 . . 18813 . . 486 MET C . 50251 1 369 . 1 . 1 108 108 MET CA C 13 59.7486 0.0000 . 1 . . 19542 . . 486 MET CA . 50251 1 370 . 1 . 1 108 108 MET CB C 13 30.1386 0.0000 . 1 . . 18129 . . 486 MET CB . 50251 1 371 . 1 . 1 108 108 MET N N 15 123.7310 0.0000 . 1 . . 19337 . . 486 MET N . 50251 1 372 . 1 . 1 109 109 PHE H H 1 8.0100 0.0000 . 1 . . 18919 . . 487 PHE H . 50251 1 373 . 1 . 1 109 109 PHE C C 13 178.1798 0.0000 . 1 . . 18921 . . 487 PHE C . 50251 1 374 . 1 . 1 109 109 PHE CA C 13 62.4039 0.0000 . 1 . . 22581 . . 487 PHE CA . 50251 1 375 . 1 . 1 109 109 PHE CB C 13 38.1607 0.0000 . 1 . . 22584 . . 487 PHE CB . 50251 1 376 . 1 . 1 109 109 PHE N N 15 120.8534 0.0000 . 1 . . 18920 . . 487 PHE N . 50251 1 377 . 1 . 1 110 110 GLU H H 1 7.4817 0.0000 . 1 . . 19696 . . 488 GLU H . 50251 1 378 . 1 . 1 110 110 GLU C C 13 178.0189 0.0000 . 1 . . 19047 . . 488 GLU C . 50251 1 379 . 1 . 1 110 110 GLU CA C 13 58.7224 0.0000 . 1 . . 19704 . . 488 GLU CA . 50251 1 380 . 1 . 1 110 110 GLU CB C 13 28.4424 0.0000 . 1 . . 18432 . . 488 GLU CB . 50251 1 381 . 1 . 1 110 110 GLU N N 15 118.9863 0.0000 . 1 . . 19697 . . 488 GLU N . 50251 1 382 . 1 . 1 111 111 PHE H H 1 7.8159 0.0000 . 1 . . 19717 . . 489 PHE H . 50251 1 383 . 1 . 1 111 111 PHE C C 13 177.2798 0.0000 . 1 . . 22801 . . 489 PHE C . 50251 1 384 . 1 . 1 111 111 PHE CA C 13 60.7164 0.0000 . 1 . . 22797 . . 489 PHE CA . 50251 1 385 . 1 . 1 111 111 PHE CB C 13 38.7100 0.0000 . 1 . . 22799 . . 489 PHE CB . 50251 1 386 . 1 . 1 111 111 PHE N N 15 118.7284 0.0000 . 1 . . 19718 . . 489 PHE N . 50251 1 387 . 1 . 1 112 112 SER H H 1 8.1130 0.0000 . 1 . . 19321 . . 490 SER H . 50251 1 388 . 1 . 1 112 112 SER C C 13 177.1442 0.0000 . 1 . . 19323 . . 490 SER C . 50251 1 389 . 1 . 1 112 112 SER CA C 13 61.7638 0.0000 . 1 . . 19854 . . 490 SER CA . 50251 1 390 . 1 . 1 112 112 SER CB C 13 62.0778 0.0000 . 1 . . 22478 . . 490 SER CB . 50251 1 391 . 1 . 1 112 112 SER N N 15 114.6293 0.0000 . 1 . . 19322 . . 490 SER N . 50251 1 392 . 1 . 1 114 114 LYS C C 13 179.3554 0.0000 . 1 . . . . . 492 LYS C . 50251 1 393 . 1 . 1 114 114 LYS CA C 13 57.9865 0.0000 . 1 . . . . . 492 LYS CA . 50251 1 394 . 1 . 1 115 115 LEU H H 1 7.8672 0.0000 . 1 . . 21622 . . 493 LEU H . 50251 1 395 . 1 . 1 115 115 LEU C C 13 179.6931 0.0000 . 1 . . 18933 . . 493 LEU C . 50251 1 396 . 1 . 1 115 115 LEU CA C 13 56.9609 0.0000 . 1 . . 19575 . . 493 LEU CA . 50251 1 397 . 1 . 1 115 115 LEU CB C 13 40.5625 0.0000 . 1 . . 18288 . . 493 LEU CB . 50251 1 398 . 1 . 1 115 115 LEU N N 15 120.7746 0.0000 . 1 . . 21623 . . 493 LEU N . 50251 1 399 . 1 . 1 116 116 ASN H H 1 8.5476 0.0000 . 1 . . 19714 . . 494 ASN H . 50251 1 400 . 1 . 1 116 116 ASN C C 13 177.9537 0.0000 . 1 . . 19050 . . 494 ASN C . 50251 1 401 . 1 . 1 116 116 ASN CA C 13 55.2486 0.0000 . 1 . . 22741 . . 494 ASN CA . 50251 1 402 . 1 . 1 116 116 ASN CB C 13 37.1565 0.0000 . 1 . . 18426 . . 494 ASN CB . 50251 1 403 . 1 . 1 116 116 ASN N N 15 119.0481 0.0000 . 1 . . 19715 . . 494 ASN N . 50251 1 404 . 1 . 1 117 117 ALA H H 1 7.3801 0.0000 . 1 . . 18994 . . 495 ALA H . 50251 1 405 . 1 . 1 117 117 ALA C C 13 178.5765 0.0000 . 1 . . 19152 . . 495 ALA C . 50251 1 406 . 1 . 1 117 117 ALA CA C 13 53.1363 0.0000 . 1 . . 19833 . . 495 ALA CA . 50251 1 407 . 1 . 1 117 117 ALA CB C 13 17.3495 0.0000 . 1 . . 18558 . . 495 ALA CB . 50251 1 408 . 1 . 1 117 117 ALA N N 15 119.9137 0.0000 . 1 . . 18995 . . 495 ALA N . 50251 1 409 . 1 . 1 118 118 LEU H H 1 7.0704 0.0000 . 1 . . 19831 . . 496 LEU H . 50251 1 410 . 1 . 1 118 118 LEU C C 13 175.7873 0.0000 . 1 . . 19164 . . 496 LEU C . 50251 1 411 . 1 . 1 118 118 LEU CA C 13 55.2602 0.0000 . 1 . . 19830 . . 496 LEU CA . 50251 1 412 . 1 . 1 118 118 LEU CB C 13 39.9200 0.0000 . 1 . . 18543 . . 496 LEU CB . 50251 1 413 . 1 . 1 118 118 LEU N N 15 115.9434 0.0000 . 1 . . 19832 . . 496 LEU N . 50251 1 414 . 1 . 1 119 119 GLN H H 1 7.4608 0.0000 . 1 . . 19171 . . 497 GLN H . 50251 1 415 . 1 . 1 119 119 GLN C C 13 175.5346 0.0000 . 1 . . 19173 . . 497 GLN C . 50251 1 416 . 1 . 1 119 119 GLN CA C 13 55.3044 0.0000 . 1 . . 19899 . . 497 GLN CA . 50251 1 417 . 1 . 1 119 119 GLN CB C 13 25.6870 0.0000 . 1 . . 18615 . . 497 GLN CB . 50251 1 418 . 1 . 1 119 119 GLN N N 15 112.9556 0.0000 . 1 . . 19172 . . 497 GLN N . 50251 1 419 . 1 . 1 120 120 LEU H H 1 8.6068 0.0000 . 1 . . 19711 . . 498 LEU H . 50251 1 420 . 1 . 1 120 120 LEU C C 13 179.1540 0.0000 . 1 . . 19056 . . 498 LEU C . 50251 1 421 . 1 . 1 120 120 LEU CA C 13 54.1693 0.0000 . 1 . . 19725 . . 498 LEU CA . 50251 1 422 . 1 . 1 120 120 LEU CB C 13 40.6202 0.0000 . 1 . . 18438 . . 498 LEU CB . 50251 1 423 . 1 . 1 120 120 LEU N N 15 118.9219 0.0000 . 1 . . 19712 . . 498 LEU N . 50251 1 424 . 1 . 1 121 121 SER H H 1 9.3248 0.0000 . 1 . . 21664 . . 499 SER H . 50251 1 425 . 1 . 1 121 121 SER C C 13 174.9520 0.0000 . 1 . . 19005 . . 499 SER C . 50251 1 426 . 1 . 1 121 121 SER CA C 13 56.2435 0.0000 . 1 . . 19629 . . 499 SER CA . 50251 1 427 . 1 . 1 121 121 SER CB C 13 64.8295 0.0000 . 1 . . 18348 . . 499 SER CB . 50251 1 428 . 1 . 1 121 121 SER N N 15 119.9170 0.0000 . 1 . . 21665 . . 499 SER N . 50251 1 429 . 1 . 1 122 122 ASP H H 1 8.9270 0.0000 . 1 . . 18901 . . 500 ASP H . 50251 1 430 . 1 . 1 122 122 ASP C C 13 179.2032 0.0000 . 1 . . 18891 . . 500 ASP C . 50251 1 431 . 1 . 1 122 122 ASP CA C 13 57.4279 0.0000 . 1 . . 19512 . . 500 ASP CA . 50251 1 432 . 1 . 1 122 122 ASP CB C 13 39.2710 0.0000 . 1 . . 18234 . . 500 ASP CB . 50251 1 433 . 1 . 1 122 122 ASP N N 15 121.6171 0.0000 . 1 . . 18902 . . 500 ASP N . 50251 1 434 . 1 . 1 123 123 GLU H H 1 8.5735 0.0000 . 1 . . 19261 . . 501 GLU H . 50251 1 435 . 1 . 1 123 123 GLU C C 13 179.6519 0.0000 . 1 . . 18939 . . 501 GLU C . 50251 1 436 . 1 . 1 123 123 GLU CA C 13 58.6616 0.0000 . 1 . . 19560 . . 501 GLU CA . 50251 1 437 . 1 . 1 123 123 GLU CB C 13 28.7296 0.0000 . 1 . . 18315 . . 501 GLU CB . 50251 1 438 . 1 . 1 123 123 GLU N N 15 120.7321 0.0000 . 1 . . 19262 . . 501 GLU N . 50251 1 439 . 1 . 1 124 124 GLU H H 1 7.6433 0.0000 . 1 . . 20005 . . 502 GLU H . 50251 1 440 . 1 . 1 124 124 GLU C C 13 178.3137 0.0000 . 1 . . 18945 . . 502 GLU C . 50251 1 441 . 1 . 1 124 124 GLU CA C 13 58.6640 0.0000 . 1 . . 19563 . . 502 GLU CA . 50251 1 442 . 1 . 1 124 124 GLU CB C 13 29.3581 0.0000 . 1 . . 18312 . . 502 GLU CB . 50251 1 443 . 1 . 1 124 124 GLU N N 15 120.6985 0.0000 . 1 . . 20006 . . 502 GLU N . 50251 1 444 . 1 . 1 125 125 MET H H 1 8.9154 0.0000 . 1 . . 21736 . . 503 MET H . 50251 1 445 . 1 . 1 125 125 MET CA C 13 57.1096 0.0000 . 1 . . 22716 . . 503 MET CA . 50251 1 446 . 1 . 1 125 125 MET CB C 13 29.3685 0.0000 . 1 . . 18429 . . 503 MET CB . 50251 1 447 . 1 . 1 125 125 MET N N 15 119.0068 0.0000 . 1 . . 21737 . . 503 MET N . 50251 1 448 . 1 . 1 158 158 LEU C C 13 177.1401 0.0000 . 1 . . 22817 . . 536 LEU C . 50251 1 449 . 1 . 1 158 158 LEU CA C 13 57.2887 0.0000 . 1 . . 22841 . . 536 LEU CA . 50251 1 450 . 1 . 1 158 158 LEU CB C 13 40.6913 0.0000 . 1 . . 22844 . . 536 LEU CB . 50251 1 451 . 1 . 1 159 159 ARG H H 1 8.7224 0.0000 . 1 . . 22815 . . 537 ARG H . 50251 1 452 . 1 . 1 159 159 ARG C C 13 178.1455 0.0000 . 1 . . 22835 . . 537 ARG C . 50251 1 453 . 1 . 1 159 159 ARG CA C 13 59.6617 0.0000 . 1 . . 22838 . . 537 ARG CA . 50251 1 454 . 1 . 1 159 159 ARG CB C 13 28.4694 0.0000 . 1 . . 22847 . . 537 ARG CB . 50251 1 455 . 1 . 1 159 159 ARG N N 15 120.6492 0.0000 . 1 . . 22816 . . 537 ARG N . 50251 1 456 . 1 . 1 160 160 THR H H 1 7.9165 0.0000 . 1 . . 19855 . . 538 THR H . 50251 1 457 . 1 . 1 160 160 THR CA C 13 65.9394 0.0000 . 1 . . 19851 . . 538 THR CA . 50251 1 458 . 1 . 1 160 160 THR CB C 13 68.3423 0.0000 . 1 . . 18573 . . 538 THR CB . 50251 1 459 . 1 . 1 160 160 THR N N 15 114.5404 0.0000 . 1 . . 19856 . . 538 THR N . 50251 1 460 . 1 . 1 161 161 LEU H H 1 7.7796 0.0000 . 1 . . 21550 . . 539 LEU H . 50251 1 461 . 1 . 1 161 161 LEU C C 13 178.1567 0.0000 . 1 . . 18837 . . 539 LEU C . 50251 1 462 . 1 . 1 161 161 LEU CA C 13 57.2237 0.0000 . 1 . . 26225 . . 539 LEU CA . 50251 1 463 . 1 . 1 161 161 LEU N N 15 122.9423 0.0000 . 1 . . 21551 . . 539 LEU N . 50251 1 stop_ save_