################################### # 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 52864 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shift list Eps15 IDR 569-671' _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' . . . 52864 1 2 '3D HNCO' . . . 52864 1 3 '3D HN(CA)CO' . . . 52864 1 4 '3D HNCA' . . . 52864 1 5 '3D HN(CO)CA' . . . 52864 1 6 '3D CBCA(CO)NH' . . . 52864 1 7 '3D HNCACB' . . . 52864 1 8 HNCOCANNHGPWG3D . . . 52864 1 9 HNCANNHGPWG3D . . . 52864 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 4 $software_4 . . 52864 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 HIS C C 13 174.701658 0.01515358456 . 1 . . . . . 567 HIS C . 52864 1 2 . 1 . 1 2 2 HIS CA C 13 55.96428478 . . 1 . . . . . 567 HIS CA . 52864 1 3 . 1 . 1 2 2 HIS CB C 13 29.71441764 . . 1 . . . . . 567 HIS CB . 52864 1 4 . 1 . 1 3 3 MET H H 1 8.562546091 0.001629305026 . 1 . . . . . 568 MET H . 52864 1 5 . 1 . 1 3 3 MET C C 13 176.0186703 0.008246751739 . 1 . . . . . 568 MET C . 52864 1 6 . 1 . 1 3 3 MET CA C 13 55.47914957 0.01104898399 . 1 . . . . . 568 MET CA . 52864 1 7 . 1 . 1 3 3 MET CB C 13 32.89367067 0.004177183266 . 1 . . . . . 568 MET CB . 52864 1 8 . 1 . 1 3 3 MET N N 15 123.4093755 0.03941248879 . 1 . . . . . 568 MET N . 52864 1 9 . 1 . 1 4 4 SER H H 1 8.376377441 0.00156088718 . 1 . . . . . 569 SER H . 52864 1 10 . 1 . 1 4 4 SER C C 13 174.9785103 0.01124501841 . 1 . . . . . 569 SER C . 52864 1 11 . 1 . 1 4 4 SER CA C 13 58.73129062 0.01306640146 . 1 . . . . . 569 SER CA . 52864 1 12 . 1 . 1 4 4 SER CB C 13 63.71567668 0.07673694926 . 1 . . . . . 569 SER CB . 52864 1 13 . 1 . 1 4 4 SER N N 15 118.3690763 0.05003511892 . 1 . . . . . 569 SER N . 52864 1 14 . 1 . 1 5 5 GLY H H 1 8.453073248 0.001961156438 . 1 . . . . . 570 GLY H . 52864 1 15 . 1 . 1 5 5 GLY C C 13 174.0181788 0.01440113357 . 1 . . . . . 570 GLY C . 52864 1 16 . 1 . 1 5 5 GLY CA C 13 45.41916582 0.005685642354 . 1 . . . . . 570 GLY CA . 52864 1 17 . 1 . 1 5 5 GLY N N 15 112.0910434 0.0375081684 . 1 . . . . . 570 GLY N . 52864 1 18 . 1 . 1 6 6 VAL H H 1 7.885037688 0.001376131143 . 1 . . . . . 571 VAL H . 52864 1 19 . 1 . 1 6 6 VAL C C 13 176.4159125 . . 1 . . . . . 571 VAL C . 52864 1 20 . 1 . 1 6 6 VAL CA C 13 62.22579342 . . 1 . . . . . 571 VAL CA . 52864 1 21 . 1 . 1 6 6 VAL CB C 13 32.9166393 . . 1 . . . . . 571 VAL CB . 52864 1 22 . 1 . 1 6 6 VAL N N 15 119.9377622 0.03781176729 . 1 . . . . . 571 VAL N . 52864 1 23 . 1 . 1 7 7 THR C C 13 174.1089995 0.005860327045 . 1 . . . . . 572 THR C . 52864 1 24 . 1 . 1 7 7 THR CA C 13 61.78313492 . . 1 . . . . . 572 THR CA . 52864 1 25 . 1 . 1 7 7 THR CB C 13 69.91923565 . . 1 . . . . . 572 THR CB . 52864 1 26 . 1 . 1 8 8 ASP H H 1 8.277060625 0.001939807017 . 1 . . . . . 573 ASP H . 52864 1 27 . 1 . 1 8 8 ASP C C 13 176.3291675 0.0398278855 . 1 . . . . . 573 ASP C . 52864 1 28 . 1 . 1 8 8 ASP CA C 13 54.33608323 0.008308005991 . 1 . . . . . 573 ASP CA . 52864 1 29 . 1 . 1 8 8 ASP CB C 13 41.32567783 0.01847972701 . 1 . . . . . 573 ASP CB . 52864 1 30 . 1 . 1 8 8 ASP N N 15 123.8405219 0.08884296409 . 1 . . . . . 573 ASP N . 52864 1 31 . 1 . 1 9 9 GLU H H 1 8.42024994 0.0015985186 . 1 . . . . . 574 GLU H . 52864 1 32 . 1 . 1 9 9 GLU C C 13 176.3636617 . . 1 . . . . . 574 GLU C . 52864 1 33 . 1 . 1 9 9 GLU CA C 13 57.04025791 0.004149028315 . 1 . . . . . 574 GLU CA . 52864 1 34 . 1 . 1 9 9 GLU CB C 13 30.04763222 0.002540908913 . 1 . . . . . 574 GLU CB . 52864 1 35 . 1 . 1 9 9 GLU N N 15 122.4470645 0.03788228337 . 1 . . . . . 574 GLU N . 52864 1 36 . 1 . 1 10 10 ASN H H 1 8.395813961 0.001528768574 . 1 . . . . . 575 ASN H . 52864 1 37 . 1 . 1 10 10 ASN C C 13 175.1354011 0.02200570345 . 1 . . . . . 575 ASN C . 52864 1 38 . 1 . 1 10 10 ASN CA C 13 53.56631664 0.01706965569 . 1 . . . . . 575 ASN CA . 52864 1 39 . 1 . 1 10 10 ASN CB C 13 39.14260674 0.003280507025 . 1 . . . . . 575 ASN CB . 52864 1 40 . 1 . 1 10 10 ASN N N 15 119.6437098 0.04773740824 . 1 . . . . . 575 ASN N . 52864 1 41 . 1 . 1 11 11 GLU H H 1 8.141984547 0.001190943665 . 1 . . . . . 576 GLU H . 52864 1 42 . 1 . 1 11 11 GLU C C 13 175.1476854 . . 1 . . . . . 576 GLU C . 52864 1 43 . 1 . 1 11 11 GLU CA C 13 56.71615463 0.008811396214 . 1 . . . . . 576 GLU CA . 52864 1 44 . 1 . 1 11 11 GLU CB C 13 30.26395358 0.005855140725 . 1 . . . . . 576 GLU CB . 52864 1 45 . 1 . 1 11 11 GLU N N 15 121.9701171 0.04461328833 . 1 . . . . . 576 GLU N . 52864 1 46 . 1 . 1 12 12 VAL H H 1 8.139007639 0.001575372438 . 1 . . . . . 577 VAL H . 52864 1 47 . 1 . 1 12 12 VAL C C 13 176.4591739 0.01252136535 . 1 . . . . . 577 VAL C . 52864 1 48 . 1 . 1 12 12 VAL CA C 13 62.58293129 0.02716298678 . 1 . . . . . 577 VAL CA . 52864 1 49 . 1 . 1 12 12 VAL CB C 13 32.77570568 0.13059986 . 1 . . . . . 577 VAL CB . 52864 1 50 . 1 . 1 12 12 VAL N N 15 122.4130171 0.0651372237 . 1 . . . . . 577 VAL N . 52864 1 51 . 1 . 1 13 13 THR H H 1 8.211947352 0.003492507891 . 1 . . . . . 578 THR H . 52864 1 52 . 1 . 1 13 13 THR C C 13 174.643651 0.05484125519 . 1 . . . . . 578 THR C . 52864 1 53 . 1 . 1 13 13 THR CA C 13 61.85174774 0.0241054361 . 1 . . . . . 578 THR CA . 52864 1 54 . 1 . 1 13 13 THR CB C 13 69.82906346 0.01997808534 . 1 . . . . . 578 THR CB . 52864 1 55 . 1 . 1 13 13 THR N N 15 118.8694973 0.1002066148 . 1 . . . . . 578 THR N . 52864 1 56 . 1 . 1 14 14 THR H H 1 8.057233526 0.001626971157 . 1 . . . . . 579 THR H . 52864 1 57 . 1 . 1 14 14 THR C C 13 174.1109741 0.01428074554 . 1 . . . . . 579 THR C . 52864 1 58 . 1 . 1 14 14 THR CA C 13 61.8732551 0.007769821198 . 1 . . . . . 579 THR CA . 52864 1 59 . 1 . 1 14 14 THR CB C 13 69.83882279 0.002114488879 . 1 . . . . . 579 THR CB . 52864 1 60 . 1 . 1 14 14 THR N N 15 117.5714603 0.03731587276 . 1 . . . . . 579 THR N . 52864 1 61 . 1 . 1 15 15 ALA H H 1 8.223358455 0.001176561942 . 1 . . . . . 580 ALA H . 52864 1 62 . 1 . 1 15 15 ALA C C 13 177.6805265 0.003008156077 . 1 . . . . . 580 ALA C . 52864 1 63 . 1 . 1 15 15 ALA CA C 13 52.56291129 0.007090669264 . 1 . . . . . 580 ALA CA . 52864 1 64 . 1 . 1 15 15 ALA CB C 13 19.29013499 0.004494992565 . 1 . . . . . 580 ALA CB . 52864 1 65 . 1 . 1 15 15 ALA N N 15 127.5751716 0.04202485694 . 1 . . . . . 580 ALA N . 52864 1 66 . 1 . 1 16 16 VAL H H 1 8.099484708 0.001730802138 . 1 . . . . . 581 VAL H . 52864 1 67 . 1 . 1 16 16 VAL C C 13 176.4796795 0.004148389004 . 1 . . . . . 581 VAL C . 52864 1 68 . 1 . 1 16 16 VAL CA C 13 62.53048027 0.013069839 . 1 . . . . . 581 VAL CA . 52864 1 69 . 1 . 1 16 16 VAL CB C 13 32.61520742 0.08235690295 . 1 . . . . . 581 VAL CB . 52864 1 70 . 1 . 1 16 16 VAL N N 15 120.5683568 0.03718487671 . 1 . . . . . 581 VAL N . 52864 1 71 . 1 . 1 17 17 THR H H 1 8.091752466 0.002084195033 . 1 . . . . . 582 THR H . 52864 1 72 . 1 . 1 17 17 THR C C 13 174.4434767 0.02770410659 . 1 . . . . . 582 THR C . 52864 1 73 . 1 . 1 17 17 THR CA C 13 61.87325295 0.02386100736 . 1 . . . . . 582 THR CA . 52864 1 74 . 1 . 1 17 17 THR CB C 13 69.85598521 0.02036993275 . 1 . . . . . 582 THR CB . 52864 1 75 . 1 . 1 17 17 THR N N 15 118.6389677 0.03706032082 . 1 . . . . . 582 THR N . 52864 1 76 . 1 . 1 18 18 GLU H H 1 8.287462815 0.003487167971 . 1 . . . . . 583 GLU H . 52864 1 77 . 1 . 1 18 18 GLU C C 13 176.1112475 0.02436443956 . 1 . . . . . 583 GLU C . 52864 1 78 . 1 . 1 18 18 GLU CA C 13 56.51211233 0.0211273796 . 1 . . . . . 583 GLU CA . 52864 1 79 . 1 . 1 18 18 GLU CB C 13 30.36333525 0.01570069782 . 1 . . . . . 583 GLU CB . 52864 1 80 . 1 . 1 18 18 GLU N N 15 124.2981399 0.1667176644 . 1 . . . . . 583 GLU N . 52864 1 81 . 1 . 1 19 19 LYS H H 1 8.251925769 0.002556411671 . 1 . . . . . 584 LYS H . 52864 1 82 . 1 . 1 19 19 LYS C C 13 176.3858537 0.0286376984 . 1 . . . . . 584 LYS C . 52864 1 83 . 1 . 1 19 19 LYS CA C 13 56.35468163 0.01049981581 . 1 . . . . . 584 LYS CA . 52864 1 84 . 1 . 1 19 19 LYS CB C 13 33.05261107 0.005466815824 . 1 . . . . . 584 LYS CB . 52864 1 85 . 1 . 1 19 19 LYS N N 15 123.7324062 0.07749341495 . 1 . . . . . 584 LYS N . 52864 1 86 . 1 . 1 20 20 VAL H H 1 8.16555676 0.002072029239 . 1 . . . . . 585 VAL H . 52864 1 87 . 1 . 1 20 20 VAL C C 13 176.1955731 0.03627661067 . 1 . . . . . 585 VAL C . 52864 1 88 . 1 . 1 20 20 VAL CA C 13 62.4021935 0.003930646702 . 1 . . . . . 585 VAL CA . 52864 1 89 . 1 . 1 20 20 VAL CB C 13 32.81768952 0.005015868426 . 1 . . . . . 585 VAL CB . 52864 1 90 . 1 . 1 20 20 VAL N N 15 122.9207286 0.05731741692 . 1 . . . . . 585 VAL N . 52864 1 91 . 1 . 1 21 21 CYS H H 1 8.461595867 0.001714756187 . 1 . . . . . 586 CYS H . 52864 1 92 . 1 . 1 21 21 CYS C C 13 174.6554621 0.02283170216 . 1 . . . . . 586 CYS C . 52864 1 93 . 1 . 1 21 21 CYS CA C 13 58.6385262 0.006959434844 . 1 . . . . . 586 CYS CA . 52864 1 94 . 1 . 1 21 21 CYS CB C 13 28.05456212 0.01975101348 . 1 . . . . . 586 CYS CB . 52864 1 95 . 1 . 1 21 21 CYS N N 15 124.3973139 0.04788180456 . 1 . . . . . 586 CYS N . 52864 1 96 . 1 . 1 22 22 SER H H 1 8.439679445 0.00181918871 . 1 . . . . . 587 SER H . 52864 1 97 . 1 . 1 22 22 SER C C 13 174.6814465 0.02769119126 . 1 . . . . . 587 SER C . 52864 1 98 . 1 . 1 22 22 SER CA C 13 58.63573634 0.003293527748 . 1 . . . . . 587 SER CA . 52864 1 99 . 1 . 1 22 22 SER CB C 13 63.95432899 0.0004656240992 . 1 . . . . . 587 SER CB . 52864 1 100 . 1 . 1 22 22 SER N N 15 119.70407 0.03817812863 . 1 . . . . . 587 SER N . 52864 1 101 . 1 . 1 23 23 GLU H H 1 8.449343607 0.001790251268 . 1 . . . . . 588 GLU H . 52864 1 102 . 1 . 1 23 23 GLU C C 13 176.5358136 0.04512613709 . 1 . . . . . 588 GLU C . 52864 1 103 . 1 . 1 23 23 GLU CA C 13 57.08351314 0.014208783 . 1 . . . . . 588 GLU CA . 52864 1 104 . 1 . 1 23 23 GLU CB C 13 29.97201409 0.0339986813 . 1 . . . . . 588 GLU CB . 52864 1 105 . 1 . 1 23 23 GLU N N 15 123.6409282 0.04331196337 . 1 . . . . . 588 GLU N . 52864 1 106 . 1 . 1 24 24 LEU H H 1 8.041932516 0.001604247909 . 1 . . . . . 589 LEU H . 52864 1 107 . 1 . 1 24 24 LEU C C 13 177.3386195 0.002265686928 . 1 . . . . . 589 LEU C . 52864 1 108 . 1 . 1 24 24 LEU CA C 13 55.49821467 0.0003414034175 . 1 . . . . . 589 LEU CA . 52864 1 109 . 1 . 1 24 24 LEU CB C 13 42.29364864 0.007635446905 . 1 . . . . . 589 LEU CB . 52864 1 110 . 1 . 1 24 24 LEU N N 15 122.682904 0.1125756538 . 1 . . . . . 589 LEU N . 52864 1 111 . 1 . 1 25 25 ASP H H 1 8.088831341 0.003272733068 . 1 . . . . . 590 ASP H . 52864 1 112 . 1 . 1 25 25 ASP C C 13 176.3109354 0.02533307439 . 1 . . . . . 590 ASP C . 52864 1 113 . 1 . 1 25 25 ASP CA C 13 54.49964535 0.009563463139 . 1 . . . . . 590 ASP CA . 52864 1 114 . 1 . 1 25 25 ASP CB C 13 41.16251568 . . 1 . . . . . 590 ASP CB . 52864 1 115 . 1 . 1 25 25 ASP N N 15 121.2310458 0.05751416411 . 1 . . . . . 590 ASP N . 52864 1 116 . 1 . 1 26 26 ASN H H 1 8.235130764 0.001291845589 . 1 . . . . . 591 ASN H . 52864 1 117 . 1 . 1 26 26 ASN C C 13 175.3605585 0.009209506417 . 1 . . . . . 591 ASN C . 52864 1 118 . 1 . 1 26 26 ASN CA C 13 53.68947427 0.007973614356 . 1 . . . . . 591 ASN CA . 52864 1 119 . 1 . 1 26 26 ASN CB C 13 38.76054098 . . 1 . . . . . 591 ASN CB . 52864 1 120 . 1 . 1 26 26 ASN N N 15 120.0837376 0.04396594717 . 1 . . . . . 591 ASN N . 52864 1 121 . 1 . 1 27 27 ASN H H 1 8.308163967 0.001712438245 . 1 . . . . . 592 ASN H . 52864 1 122 . 1 . 1 27 27 ASN C C 13 175.1625218 0.06981013479 . 1 . . . . . 592 ASN C . 52864 1 123 . 1 . 1 27 27 ASN CA C 13 53.45141817 0.06790359538 . 1 . . . . . 592 ASN CA . 52864 1 124 . 1 . 1 27 27 ASN CB C 13 38.89360719 0.09503333253 . 1 . . . . . 592 ASN CB . 52864 1 125 . 1 . 1 27 27 ASN N N 15 119.2438957 0.04706540382 . 1 . . . . . 592 ASN N . 52864 1 126 . 1 . 1 28 28 ARG H H 1 7.991801892 0.001668656793 . 1 . . . . . 593 ARG H . 52864 1 127 . 1 . 1 28 28 ARG C C 13 176.1815603 . . 1 . . . . . 593 ARG C . 52864 1 128 . 1 . 1 28 28 ARG CA C 13 56.32593317 . . 1 . . . . . 593 ARG CA . 52864 1 129 . 1 . 1 28 28 ARG CB C 13 30.41670994 . . 1 . . . . . 593 ARG CB . 52864 1 130 . 1 . 1 28 28 ARG N N 15 121.1361254 0.04343861835 . 1 . . . . . 593 ARG N . 52864 1 131 . 1 . 1 29 29 HIS C C 13 174.7090874 . . 1 . . . . . 594 HIS C . 52864 1 132 . 1 . 1 29 29 HIS CA C 13 55.42188242 . . 1 . . . . . 594 HIS CA . 52864 1 133 . 1 . 1 29 29 HIS CB C 13 29.2175099 . . 1 . . . . . 594 HIS CB . 52864 1 134 . 1 . 1 30 30 SER H H 1 8.274863702 0.001329213028 . 1 . . . . . 595 SER H . 52864 1 135 . 1 . 1 30 30 SER C C 13 174.5840557 . . 1 . . . . . 595 SER C . 52864 1 136 . 1 . 1 30 30 SER CA C 13 58.52341366 0.004827519642 . 1 . . . . . 595 SER CA . 52864 1 137 . 1 . 1 30 30 SER CB C 13 63.98377297 0.0009586044668 . 1 . . . . . 595 SER CB . 52864 1 138 . 1 . 1 30 30 SER N N 15 117.9382599 0.06578171988 . 1 . . . . . 595 SER N . 52864 1 139 . 1 . 1 31 31 LYS H H 1 8.381094842 0.002240908198 . 1 . . . . . 596 LYS H . 52864 1 140 . 1 . 1 31 31 LYS C C 13 176.6237015 0.01562490861 . 1 . . . . . 596 LYS C . 52864 1 141 . 1 . 1 31 31 LYS CA C 13 56.72771527 0.002636119007 . 1 . . . . . 596 LYS CA . 52864 1 142 . 1 . 1 31 31 LYS CB C 13 32.93610604 0.004828066107 . 1 . . . . . 596 LYS CB . 52864 1 143 . 1 . 1 31 31 LYS N N 15 123.936902 0.04905746665 . 1 . . . . . 596 LYS N . 52864 1 144 . 1 . 1 32 32 GLU H H 1 8.332711259 0.001701258935 . 1 . . . . . 597 GLU H . 52864 1 145 . 1 . 1 32 32 GLU C C 13 176.4252418 0.03093095686 . 1 . . . . . 597 GLU C . 52864 1 146 . 1 . 1 32 32 GLU CA C 13 56.78047955 0.005870845195 . 1 . . . . . 597 GLU CA . 52864 1 147 . 1 . 1 32 32 GLU CB C 13 30.09622675 0.01416159448 . 1 . . . . . 597 GLU CB . 52864 1 148 . 1 . 1 32 32 GLU N N 15 122.3011296 0.03609431357 . 1 . . . . . 597 GLU N . 52864 1 149 . 1 . 1 33 33 GLU H H 1 8.201630913 0.001718125559 . 1 . . . . . 598 GLU H . 52864 1 150 . 1 . 1 33 33 GLU C C 13 175.8725228 0.05491375854 . 1 . . . . . 598 GLU C . 52864 1 151 . 1 . 1 33 33 GLU CA C 13 56.26919497 0.015460377 . 1 . . . . . 598 GLU CA . 52864 1 152 . 1 . 1 33 33 GLU CB C 13 30.42988891 0.01424368869 . 1 . . . . . 598 GLU CB . 52864 1 153 . 1 . 1 33 33 GLU N N 15 121.9490775 0.04042537704 . 1 . . . . . 598 GLU N . 52864 1 154 . 1 . 1 34 34 ASP H H 1 8.25085421 0.0006719436832 . 1 . . . . . 599 ASP H . 52864 1 155 . 1 . 1 34 34 ASP CA C 13 52.14841196 . . 1 . . . . . 599 ASP CA . 52864 1 156 . 1 . 1 34 34 ASP CB C 13 41.34332908 . . 1 . . . . . 599 ASP CB . 52864 1 157 . 1 . 1 34 34 ASP N N 15 123.6092021 0.1217582343 . 1 . . . . . 599 ASP N . 52864 1 158 . 1 . 1 35 35 PRO CA C 13 63.55880737 . . 1 . . . . . 600 PRO CA . 52864 1 159 . 1 . 1 35 35 PRO CB C 13 31.90101548 . . 1 . . . . . 600 PRO CB . 52864 1 160 . 1 . 1 36 36 PHE H H 1 8.17109197 0.001137279739 . 1 . . . . . 601 PHE H . 52864 1 161 . 1 . 1 36 36 PHE C C 13 175.5437309 . . 1 . . . . . 601 PHE C . 52864 1 162 . 1 . 1 36 36 PHE CA C 13 57.81314391 0.01878661144 . 1 . . . . . 601 PHE CA . 52864 1 163 . 1 . 1 36 36 PHE CB C 13 39.02479544 0.007430942319 . 1 . . . . . 601 PHE CB . 52864 1 164 . 1 . 1 36 36 PHE N N 15 119.3471302 0.04419487229 . 1 . . . . . 601 PHE N . 52864 1 165 . 1 . 1 37 37 ASN H H 1 7.925226574 0.001559424808 . 1 . . . . . 602 ASN H . 52864 1 166 . 1 . 1 37 37 ASN C C 13 174.4152324 0.4777113723 . 1 . . . . . 602 ASN C . 52864 1 167 . 1 . 1 37 37 ASN CA C 13 49.49935491 3.701806877 . 1 . . . . . 602 ASN CA . 52864 1 168 . 1 . 1 37 37 ASN CB C 13 39.08604829 0.07844593067 . 1 . . . . . 602 ASN CB . 52864 1 169 . 1 . 1 37 37 ASN N N 15 121.0017019 0.03792215916 . 1 . . . . . 602 ASN N . 52864 1 170 . 1 . 1 38 38 VAL H H 1 7.988665283 0.001174264231 . 1 . . . . . 603 VAL H . 52864 1 171 . 1 . 1 38 38 VAL C C 13 175.9201285 0.02120173531 . 1 . . . . . 603 VAL C . 52864 1 172 . 1 . 1 38 38 VAL CA C 13 62.42793062 0.01023778014 . 1 . . . . . 603 VAL CA . 52864 1 173 . 1 . 1 38 38 VAL CB C 13 32.91251574 0.04953506847 . 1 . . . . . 603 VAL CB . 52864 1 174 . 1 . 1 38 38 VAL N N 15 121.2047734 0.06699426492 . 1 . . . . . 603 VAL N . 52864 1 175 . 1 . 1 39 39 ASP H H 1 8.351148664 0.002576915823 . 1 . . . . . 604 ASP H . 52864 1 176 . 1 . 1 39 39 ASP C C 13 176.6615902 0.01883670597 . 1 . . . . . 604 ASP C . 52864 1 177 . 1 . 1 39 39 ASP CA C 13 54.32222552 0.01105652981 . 1 . . . . . 604 ASP CA . 52864 1 178 . 1 . 1 39 39 ASP CB C 13 41.28523351 0.08533871356 . 1 . . . . . 604 ASP CB . 52864 1 179 . 1 . 1 39 39 ASP N N 15 124.3930734 0.1042540657 . 1 . . . . . 604 ASP N . 52864 1 180 . 1 . 1 40 40 SER H H 1 8.294550876 0.002909209045 . 1 . . . . . 605 SER H . 52864 1 181 . 1 . 1 40 40 SER C C 13 175.2057635 0.004710027429 . 1 . . . . . 605 SER C . 52864 1 182 . 1 . 1 40 40 SER CA C 13 58.94757507 0.02251002573 . 1 . . . . . 605 SER CA . 52864 1 183 . 1 . 1 40 40 SER CB C 13 63.65513032 0.05553274067 . 1 . . . . . 605 SER CB . 52864 1 184 . 1 . 1 40 40 SER N N 15 118.4093408 0.09841709704 . 1 . . . . . 605 SER N . 52864 1 185 . 1 . 1 41 41 SER H H 1 8.351422229 0.001263195278 . 1 . . . . . 606 SER H . 52864 1 186 . 1 . 1 41 41 SER C C 13 174.8916848 . . 1 . . . . . 606 SER C . 52864 1 187 . 1 . 1 41 41 SER CA C 13 59.26678665 0.01540773031 . 1 . . . . . 606 SER CA . 52864 1 188 . 1 . 1 41 41 SER CB C 13 63.77751939 0.04832710609 . 1 . . . . . 606 SER CB . 52864 1 189 . 1 . 1 41 41 SER N N 15 118.8277235 0.04225512434 . 1 . . . . . 606 SER N . 52864 1 190 . 1 . 1 42 42 SER H H 1 8.125090706 0.003018348079 . 1 . . . . . 607 SER H . 52864 1 191 . 1 . 1 42 42 SER C C 13 174.585924 . . 1 . . . . . 607 SER C . 52864 1 192 . 1 . 1 42 42 SER CA C 13 58.58824653 0.06776160414 . 1 . . . . . 607 SER CA . 52864 1 193 . 1 . 1 42 42 SER CB C 13 63.76039578 0.04626160652 . 1 . . . . . 607 SER CB . 52864 1 194 . 1 . 1 42 42 SER N N 15 118.0937423 0.05435083246 . 1 . . . . . 607 SER N . 52864 1 195 . 1 . 1 43 43 LEU H H 1 8.057417399 0.002012427709 . 1 . . . . . 608 LEU H . 52864 1 196 . 1 . 1 43 43 LEU C C 13 177.6271138 . . 1 . . . . . 608 LEU C . 52864 1 197 . 1 . 1 43 43 LEU CA C 13 55.48276893 0.005231937656 . 1 . . . . . 608 LEU CA . 52864 1 198 . 1 . 1 43 43 LEU CB C 13 42.25184399 0.04062571334 . 1 . . . . . 608 LEU CB . 52864 1 199 . 1 . 1 43 43 LEU N N 15 124.3376916 0.03673113636 . 1 . . . . . 608 LEU N . 52864 1 200 . 1 . 1 44 44 THR H H 1 7.969881391 0.001601209878 . 1 . . . . . 609 THR H . 52864 1 201 . 1 . 1 44 44 THR C C 13 174.7162902 0.02504512167 . 1 . . . . . 609 THR C . 52864 1 202 . 1 . 1 44 44 THR CA C 13 61.70966725 0.03141009029 . 1 . . . . . 609 THR CA . 52864 1 203 . 1 . 1 44 44 THR CB C 13 69.93147555 0.01244903151 . 1 . . . . . 609 THR CB . 52864 1 204 . 1 . 1 44 44 THR N N 15 114.2273083 0.1048241852 . 1 . . . . . 609 THR N . 52864 1 205 . 1 . 1 45 45 GLY H H 1 8.049781745 0.001448206581 . 1 . . . . . 610 GLY H . 52864 1 206 . 1 . 1 45 45 GLY C C 13 171.5632875 . . 1 . . . . . 610 GLY C . 52864 1 207 . 1 . 1 45 45 GLY CA C 13 44.6665113 0.01576300314 . 1 . . . . . 610 GLY CA . 52864 1 208 . 1 . 1 45 45 GLY N N 15 111.9131671 0.04342580071 . 1 . . . . . 610 GLY N . 52864 1 209 . 1 . 1 46 46 PRO C C 13 177.1221574 0.006066726137 . 1 . . . . . 611 PRO C . 52864 1 210 . 1 . 1 46 46 PRO CA C 13 63.09913614 . . 1 . . . . . 611 PRO CA . 52864 1 211 . 1 . 1 46 46 PRO CB C 13 32.20562239 . . 1 . . . . . 611 PRO CB . 52864 1 212 . 1 . 1 47 47 VAL H H 1 8.152262469 0.002276569971 . 1 . . . . . 612 VAL H . 52864 1 213 . 1 . 1 47 47 VAL C C 13 175.9604003 0.007856110626 . 1 . . . . . 612 VAL C . 52864 1 214 . 1 . 1 47 47 VAL CA C 13 62.17114205 0.01042189819 . 1 . . . . . 612 VAL CA . 52864 1 215 . 1 . 1 47 47 VAL CB C 13 32.88484976 0.008161541317 . 1 . . . . . 612 VAL CB . 52864 1 216 . 1 . 1 47 47 VAL N N 15 121.1649101 0.03422061673 . 1 . . . . . 612 VAL N . 52864 1 217 . 1 . 1 48 48 ALA H H 1 8.275128891 0.001827343782 . 1 . . . . . 613 ALA H . 52864 1 218 . 1 . 1 48 48 ALA C C 13 177.2995063 0.003913129675 . 1 . . . . . 613 ALA C . 52864 1 219 . 1 . 1 48 48 ALA CA C 13 52.4321627 0.01043995228 . 1 . . . . . 613 ALA CA . 52864 1 220 . 1 . 1 48 48 ALA CB C 13 19.47190352 0.01114354761 . 1 . . . . . 613 ALA CB . 52864 1 221 . 1 . 1 48 48 ALA N N 15 128.5423435 0.03832030034 . 1 . . . . . 613 ALA N . 52864 1 222 . 1 . 1 49 49 ASP H H 1 8.224767039 0.001523816715 . 1 . . . . . 614 ASP H . 52864 1 223 . 1 . 1 49 49 ASP C C 13 176.5428868 0.008864005235 . 1 . . . . . 614 ASP C . 52864 1 224 . 1 . 1 49 49 ASP CA C 13 54.36885688 0.007360558183 . 1 . . . . . 614 ASP CA . 52864 1 225 . 1 . 1 49 49 ASP CB C 13 41.15539954 0.00351481961 . 1 . . . . . 614 ASP CB . 52864 1 226 . 1 . 1 49 49 ASP N N 15 120.8339027 0.04477122269 . 1 . . . . . 614 ASP N . 52864 1 227 . 1 . 1 50 50 THR H H 1 7.988309457 0.001287085801 . 1 . . . . . 615 THR H . 52864 1 228 . 1 . 1 50 50 THR C C 13 174.4095184 0.03588824658 . 1 . . . . . 615 THR C . 52864 1 229 . 1 . 1 50 50 THR CA C 13 62.06091229 0.02821712662 . 1 . . . . . 615 THR CA . 52864 1 230 . 1 . 1 50 50 THR CB C 13 69.69115439 0.03571217837 . 1 . . . . . 615 THR CB . 52864 1 231 . 1 . 1 50 50 THR N N 15 114.8407087 0.03468044722 . 1 . . . . . 615 THR N . 52864 1 232 . 1 . 1 51 51 ASN H H 1 8.394819545 0.00179598061 . 1 . . . . . 616 ASN H . 52864 1 233 . 1 . 1 51 51 ASN C C 13 175.1928352 0.009745121084 . 1 . . . . . 616 ASN C . 52864 1 234 . 1 . 1 51 51 ASN CA C 13 53.52599384 0.009856241016 . 1 . . . . . 616 ASN CA . 52864 1 235 . 1 . 1 51 51 ASN CB C 13 38.84501968 0.006520048449 . 1 . . . . . 616 ASN CB . 52864 1 236 . 1 . 1 51 51 ASN N N 15 121.7591725 0.04488556573 . 1 . . . . . 616 ASN N . 52864 1 237 . 1 . 1 52 52 LEU H H 1 8.044589384 0.001299157517 . 1 . . . . . 617 LEU H . 52864 1 238 . 1 . 1 52 52 LEU C C 13 177.0750813 0.0004825290474 . 1 . . . . . 617 LEU C . 52864 1 239 . 1 . 1 52 52 LEU CA C 13 55.39380159 0.005038904331 . 1 . . . . . 617 LEU CA . 52864 1 240 . 1 . 1 52 52 LEU CB C 13 42.28870831 0.03079005509 . 1 . . . . . 617 LEU CB . 52864 1 241 . 1 . 1 52 52 LEU N N 15 123.0597803 0.09164515369 . 1 . . . . . 617 LEU N . 52864 1 242 . 1 . 1 53 53 ASP H H 1 8.119090596 0.002858849711 . 1 . . . . . 618 ASP H . 52864 1 243 . 1 . 1 53 53 ASP C C 13 176.0199468 0.005152008166 . 1 . . . . . 618 ASP C . 52864 1 244 . 1 . 1 53 53 ASP CA C 13 54.50093043 0.06298413859 . 1 . . . . . 618 ASP CA . 52864 1 245 . 1 . 1 53 53 ASP CB C 13 41.04830296 0.002677699176 . 1 . . . . . 618 ASP CB . 52864 1 246 . 1 . 1 53 53 ASP N N 15 121.1362466 0.0436860009 . 1 . . . . . 618 ASP N . 52864 1 247 . 1 . 1 54 54 PHE H H 1 7.880102114 0.001484957824 . 1 . . . . . 619 PHE H . 52864 1 248 . 1 . 1 54 54 PHE C C 13 175.4184362 0.008915894605 . 1 . . . . . 619 PHE C . 52864 1 249 . 1 . 1 54 54 PHE CA C 13 57.98935025 0.01869621458 . 1 . . . . . 619 PHE CA . 52864 1 250 . 1 . 1 54 54 PHE CB C 13 39.51877769 0.009203749707 . 1 . . . . . 619 PHE CB . 52864 1 251 . 1 . 1 54 54 PHE N N 15 120.8109569 0.04014673768 . 1 . . . . . 619 PHE N . 52864 1 252 . 1 . 1 55 55 PHE H H 1 7.964832162 0.002469218136 . 1 . . . . . 620 PHE H . 52864 1 253 . 1 . 1 55 55 PHE C C 13 175.2527659 0.007559379463 . 1 . . . . . 620 PHE C . 52864 1 254 . 1 . 1 55 55 PHE CA C 13 57.88941694 0.002968023317 . 1 . . . . . 620 PHE CA . 52864 1 255 . 1 . 1 55 55 PHE CB C 13 39.57904626 0.0144579099 . 1 . . . . . 620 PHE CB . 52864 1 256 . 1 . 1 55 55 PHE N N 15 121.9123554 0.01963049922 . 1 . . . . . 620 PHE N . 52864 1 257 . 1 . 1 56 56 GLN H H 1 8.00511663 0.002963246101 . 1 . . . . . 621 GLN H . 52864 1 258 . 1 . 1 56 56 GLN C C 13 175.29826 . . 1 . . . . . 621 GLN C . 52864 1 259 . 1 . 1 56 56 GLN CA C 13 55.62977122 0.01915934533 . 1 . . . . . 621 GLN CA . 52864 1 260 . 1 . 1 56 56 GLN CB C 13 29.65794198 0.01919556474 . 1 . . . . . 621 GLN CB . 52864 1 261 . 1 . 1 56 56 GLN N N 15 122.7644531 0.04417965597 . 1 . . . . . 621 GLN N . 52864 1 262 . 1 . 1 57 57 SER H H 1 8.118045482 0.002396686858 . 1 . . . . . 622 SER H . 52864 1 263 . 1 . 1 57 57 SER C C 13 173.7807879 0.02259359007 . 1 . . . . . 622 SER C . 52864 1 264 . 1 . 1 57 57 SER CA C 13 58.3681576 0.05061608902 . 1 . . . . . 622 SER CA . 52864 1 265 . 1 . 1 57 57 SER CB C 13 63.98176745 0.08137431642 . 1 . . . . . 622 SER CB . 52864 1 266 . 1 . 1 57 57 SER N N 15 118.0092831 0.04230739333 . 1 . . . . . 622 SER N . 52864 1 267 . 1 . 1 58 58 ASP H H 1 8.236426554 0.001407881756 . 1 . . . . . 623 ASP H . 52864 1 268 . 1 . 1 58 58 ASP C C 13 174.7351763 . . 1 . . . . . 623 ASP C . 52864 1 269 . 1 . 1 58 58 ASP CA C 13 52.33942242 . . 1 . . . . . 623 ASP CA . 52864 1 270 . 1 . 1 58 58 ASP CB C 13 41.35605972 . . 1 . . . . . 623 ASP CB . 52864 1 271 . 1 . 1 58 58 ASP N N 15 124.0334534 0.108425661 . 1 . . . . . 623 ASP N . 52864 1 272 . 1 . 1 59 59 PRO C C 13 176.6597646 . . 1 . . . . . 624 PRO C . 52864 1 273 . 1 . 1 59 59 PRO CA C 13 63.44253901 . . 1 . . . . . 624 PRO CA . 52864 1 274 . 1 . 1 59 59 PRO CB C 13 31.93950563 . . 1 . . . . . 624 PRO CB . 52864 1 275 . 1 . 1 60 60 PHE H H 1 8.243068775 0.002593533931 . 1 . . . . . 625 PHE H . 52864 1 276 . 1 . 1 60 60 PHE C C 13 175.9525816 0.003322955506 . 1 . . . . . 625 PHE C . 52864 1 277 . 1 . 1 60 60 PHE CA C 13 57.92453243 0.007460666102 . 1 . . . . . 625 PHE CA . 52864 1 278 . 1 . 1 60 60 PHE CB C 13 39.02642134 0.07300207641 . 1 . . . . . 625 PHE CB . 52864 1 279 . 1 . 1 60 60 PHE N N 15 120.3488071 0.07273816242 . 1 . . . . . 625 PHE N . 52864 1 280 . 1 . 1 61 61 VAL H H 1 7.73161398 0.001519735725 . 1 . . . . . 626 VAL H . 52864 1 281 . 1 . 1 61 61 VAL C C 13 176.1454035 0.0406126505 . 1 . . . . . 626 VAL C . 52864 1 282 . 1 . 1 61 61 VAL CA C 13 62.56544535 0.01213619719 . 1 . . . . . 626 VAL CA . 52864 1 283 . 1 . 1 61 61 VAL CB C 13 32.63297206 0.003154609588 . 1 . . . . . 626 VAL CB . 52864 1 284 . 1 . 1 61 61 VAL N N 15 122.715465 0.03610360769 . 1 . . . . . 626 VAL N . 52864 1 285 . 1 . 1 62 62 GLY H H 1 8.040650585 0.002048872494 . 1 . . . . . 627 GLY H . 52864 1 286 . 1 . 1 62 62 GLY C C 13 173.8891959 0.02969669949 . 1 . . . . . 627 GLY C . 52864 1 287 . 1 . 1 62 62 GLY CA C 13 45.25063306 0.01843522154 . 1 . . . . . 627 GLY CA . 52864 1 288 . 1 . 1 62 62 GLY N N 15 112.7623541 0.04338858831 . 1 . . . . . 627 GLY N . 52864 1 289 . 1 . 1 63 63 SER H H 1 8.04066066 0.003228342193 . 1 . . . . . 628 SER H . 52864 1 290 . 1 . 1 63 63 SER C C 13 173.8869169 0.03219934295 . 1 . . . . . 628 SER C . 52864 1 291 . 1 . 1 63 63 SER CA C 13 58.15395779 0.00288214082 . 1 . . . . . 628 SER CA . 52864 1 292 . 1 . 1 63 63 SER CB C 13 64.15168427 0.009962199817 . 1 . . . . . 628 SER CB . 52864 1 293 . 1 . 1 63 63 SER N N 15 116.066217 0.0589557337 . 1 . . . . . 628 SER N . 52864 1 294 . 1 . 1 64 64 ASP H H 1 8.343054315 0.001254090888 . 1 . . . . . 629 ASP H . 52864 1 295 . 1 . 1 64 64 ASP C C 13 174.8519564 . . 1 . . . . . 629 ASP C . 52864 1 296 . 1 . 1 64 64 ASP CA C 13 52.18571995 . . 1 . . . . . 629 ASP CA . 52864 1 297 . 1 . 1 64 64 ASP N N 15 123.9635158 0.04203072826 . 1 . . . . . 629 ASP N . 52864 1 298 . 1 . 1 66 66 PHE C C 13 175.9410303 0.01175203152 . 1 . . . . . 631 PHE C . 52864 1 299 . 1 . 1 66 66 PHE CA C 13 57.78706273 . . 1 . . . . . 631 PHE CA . 52864 1 300 . 1 . 1 66 66 PHE CB C 13 38.84281484 . . 1 . . . . . 631 PHE CB . 52864 1 301 . 1 . 1 67 67 LYS H H 1 7.649334314 0.001473489586 . 1 . . . . . 632 LYS H . 52864 1 302 . 1 . 1 67 67 LYS C C 13 175.9145717 . . 1 . . . . . 632 LYS C . 52864 1 303 . 1 . 1 67 67 LYS CA C 13 56.72516864 0.004863254299 . 1 . . . . . 632 LYS CA . 52864 1 304 . 1 . 1 67 67 LYS CB C 13 33.21858117 0.003424995408 . 1 . . . . . 632 LYS CB . 52864 1 305 . 1 . 1 67 67 LYS N N 15 122.5187032 0.03607895821 . 1 . . . . . 632 LYS N . 52864 1 306 . 1 . 1 68 68 ASP H H 1 8.116909561 0.001740144361 . 1 . . . . . 633 ASP H . 52864 1 307 . 1 . 1 68 68 ASP C C 13 175.4586467 0.06827152762 . 1 . . . . . 633 ASP C . 52864 1 308 . 1 . 1 68 68 ASP CA C 13 54.36654465 0.03093585837 . 1 . . . . . 633 ASP CA . 52864 1 309 . 1 . 1 68 68 ASP CB C 13 41.2250016 0.0448623845 . 1 . . . . . 633 ASP CB . 52864 1 310 . 1 . 1 68 68 ASP N N 15 121.3959577 0.08239251089 . 1 . . . . . 633 ASP N . 52864 1 311 . 1 . 1 69 69 ASP H H 1 8.022960137 0.001241356028 . 1 . . . . . 634 ASP H . 52864 1 312 . 1 . 1 69 69 ASP C C 13 175.0523415 . . 1 . . . . . 634 ASP C . 52864 1 313 . 1 . 1 69 69 ASP CA C 13 52.09700339 . . 1 . . . . . 634 ASP CA . 52864 1 314 . 1 . 1 69 69 ASP CB C 13 41.66265098 . . 1 . . . . . 634 ASP CB . 52864 1 315 . 1 . 1 69 69 ASP N N 15 121.7939363 0.03924773913 . 1 . . . . . 634 ASP N . 52864 1 316 . 1 . 1 72 72 GLY CA C 13 45.49219749 0.06389995591 . 1 . . . . . 637 GLY CA . 52864 1 317 . 1 . 1 73 73 LYS H H 1 7.869802019 0.003923068463 . 1 . . . . . 638 LYS H . 52864 1 318 . 1 . 1 73 73 LYS CA C 13 56.16045609 0.00409637523 . 1 . . . . . 638 LYS CA . 52864 1 319 . 1 . 1 73 73 LYS CB C 13 33.10551536 0.00333021361 . 1 . . . . . 638 LYS CB . 52864 1 320 . 1 . 1 73 73 LYS N N 15 121.3985304 0.04878400708 . 1 . . . . . 638 LYS N . 52864 1 321 . 1 . 1 74 74 ILE H H 1 8.046816554 0.003097824041 . 1 . . . . . 639 ILE H . 52864 1 322 . 1 . 1 74 74 ILE C C 13 175.6393033 . . 1 . . . . . 639 ILE C . 52864 1 323 . 1 . 1 74 74 ILE CA C 13 60.76582882 0.01294220276 . 1 . . . . . 639 ILE CA . 52864 1 324 . 1 . 1 74 74 ILE CB C 13 38.93833927 0.015277833 . 1 . . . . . 639 ILE CB . 52864 1 325 . 1 . 1 74 74 ILE N N 15 122.8547471 0.04628043095 . 1 . . . . . 639 ILE N . 52864 1 326 . 1 . 1 75 75 ASP H H 1 8.377943139 0.001633753197 . 1 . . . . . 640 ASP H . 52864 1 327 . 1 . 1 75 75 ASP C C 13 175.106516 . . 1 . . . . . 640 ASP C . 52864 1 328 . 1 . 1 75 75 ASP CA C 13 51.84795387 . . 1 . . . . . 640 ASP CA . 52864 1 329 . 1 . 1 75 75 ASP CB C 13 41.49296664 . . 1 . . . . . 640 ASP CB . 52864 1 330 . 1 . 1 75 75 ASP N N 15 126.5371268 0.03813224127 . 1 . . . . . 640 ASP N . 52864 1 331 . 1 . 1 76 76 PRO CA C 13 63.64039617 . . 1 . . . . . 641 PRO CA . 52864 1 332 . 1 . 1 76 76 PRO CB C 13 31.89735388 . . 1 . . . . . 641 PRO CB . 52864 1 333 . 1 . 1 77 77 PHE H H 1 8.161820597 0.002505948938 . 1 . . . . . 642 PHE H . 52864 1 334 . 1 . 1 77 77 PHE C C 13 176.6551518 0.0075689268 . 1 . . . . . 642 PHE C . 52864 1 335 . 1 . 1 77 77 PHE CA C 13 57.7408987 0.02377942864 . 1 . . . . . 642 PHE CA . 52864 1 336 . 1 . 1 77 77 PHE CB C 13 38.92048347 . . 1 . . . . . 642 PHE CB . 52864 1 337 . 1 . 1 77 77 PHE N N 15 119.3130866 0.06323168262 . 1 . . . . . 642 PHE N . 52864 1 338 . 1 . 1 78 78 GLY H H 1 7.93619644 0.00396389577 . 1 . . . . . 643 GLY H . 52864 1 339 . 1 . 1 78 78 GLY C C 13 174.5758174 0.01278842396 . 1 . . . . . 643 GLY C . 52864 1 340 . 1 . 1 78 78 GLY CA C 13 45.82007756 0.04923233079 . 1 . . . . . 643 GLY CA . 52864 1 341 . 1 . 1 78 78 GLY N N 15 110.3229016 0.0569318097 . 1 . . . . . 643 GLY N . 52864 1 342 . 1 . 1 79 79 GLY H H 1 7.974408004 0.000945328907 . 1 . . . . . 644 GLY H . 52864 1 343 . 1 . 1 79 79 GLY C C 13 173.4394508 0.01288575671 . 1 . . . . . 644 GLY C . 52864 1 344 . 1 . 1 79 79 GLY CA C 13 45.00101368 0.00293436812 . 1 . . . . . 644 GLY CA . 52864 1 345 . 1 . 1 79 79 GLY N N 15 109.0786838 0.03514155959 . 1 . . . . . 644 GLY N . 52864 1 346 . 1 . 1 80 80 ASP H H 1 8.094201906 0.001162272435 . 1 . . . . . 645 ASP H . 52864 1 347 . 1 . 1 80 80 ASP C C 13 175.1197768 . . 1 . . . . . 645 ASP C . 52864 1 348 . 1 . 1 80 80 ASP CA C 13 52.11527059 . . 1 . . . . . 645 ASP CA . 52864 1 349 . 1 . 1 80 80 ASP CB C 13 41.5802667 . . 1 . . . . . 645 ASP CB . 52864 1 350 . 1 . 1 80 80 ASP N N 15 121.9990826 0.03453792711 . 1 . . . . . 645 ASP N . 52864 1 351 . 1 . 1 82 82 PHE C C 13 176.0643727 . . 1 . . . . . 647 PHE C . 52864 1 352 . 1 . 1 82 82 PHE CA C 13 57.8672794 . . 1 . . . . . 647 PHE CA . 52864 1 353 . 1 . 1 82 82 PHE CB C 13 38.91705019 . . 1 . . . . . 647 PHE CB . 52864 1 354 . 1 . 1 83 83 LYS H H 1 7.823106863 0.001642400673 . 1 . . . . . 648 LYS H . 52864 1 355 . 1 . 1 83 83 LYS C C 13 176.6360606 0.01725402417 . 1 . . . . . 648 LYS C . 52864 1 356 . 1 . 1 83 83 LYS CA C 13 56.59096234 0.0122618491 . 1 . . . . . 648 LYS CA . 52864 1 357 . 1 . 1 83 83 LYS CB C 13 32.74324191 0.0158339094 . 1 . . . . . 648 LYS CB . 52864 1 358 . 1 . 1 83 83 LYS N N 15 123.0281247 0.03328849926 . 1 . . . . . 648 LYS N . 52864 1 359 . 1 . 1 84 84 GLY H H 1 7.960047749 0.002688632677 . 1 . . . . . 649 GLY H . 52864 1 360 . 1 . 1 84 84 GLY C C 13 173.968848 0.02544281247 . 1 . . . . . 649 GLY C . 52864 1 361 . 1 . 1 84 84 GLY CA C 13 45.33880011 0.03446884835 . 1 . . . . . 649 GLY CA . 52864 1 362 . 1 . 1 84 84 GLY N N 15 110.0772301 0.04964224767 . 1 . . . . . 649 GLY N . 52864 1 363 . 1 . 1 85 85 SER H H 1 8.021231174 0.001956581786 . 1 . . . . . 650 SER H . 52864 1 364 . 1 . 1 85 85 SER CA C 13 58.16794933 . . 1 . . . . . 650 SER CA . 52864 1 365 . 1 . 1 85 85 SER CB C 13 64.11631775 . . 1 . . . . . 650 SER CB . 52864 1 366 . 1 . 1 85 85 SER N N 15 116.0625058 0.04242877523 . 1 . . . . . 650 SER N . 52864 1 367 . 1 . 1 87 87 PRO CA C 13 63.77679377 . . 1 . . . . . 652 PRO CA . 52864 1 368 . 1 . 1 87 87 PRO CB C 13 31.93996669 . . 1 . . . . . 652 PRO CB . 52864 1 369 . 1 . 1 88 88 PHE H H 1 8.071086338 0.0006890909764 . 1 . . . . . 653 PHE H . 52864 1 370 . 1 . 1 88 88 PHE C C 13 175.8175284 0.00005498 . 1 . . . . . 653 PHE C . 52864 1 371 . 1 . 1 88 88 PHE CA C 13 57.58213948 0.0004718230793 . 1 . . . . . 653 PHE CA . 52864 1 372 . 1 . 1 88 88 PHE CB C 13 38.76502841 0.006043986766 . 1 . . . . . 653 PHE CB . 52864 1 373 . 1 . 1 88 88 PHE N N 15 118.7715562 0.02536670701 . 1 . . . . . 653 PHE N . 52864 1 374 . 1 . 1 89 89 ALA H H 1 7.662855889 0.004049691839 . 1 . . . . . 654 ALA H . 52864 1 375 . 1 . 1 89 89 ALA C C 13 177.7863803 0.02040359417 . 1 . . . . . 654 ALA C . 52864 1 376 . 1 . 1 89 89 ALA CA C 13 52.80213402 0.003285171462 . 1 . . . . . 654 ALA CA . 52864 1 377 . 1 . 1 89 89 ALA CB C 13 19.33158419 0.00233073207 . 1 . . . . . 654 ALA CB . 52864 1 378 . 1 . 1 89 89 ALA N N 15 124.8844586 0.04389565557 . 1 . . . . . 654 ALA N . 52864 1 379 . 1 . 1 90 90 SER H H 1 8.117950734 0.001366380689 . 1 . . . . . 655 SER H . 52864 1 380 . 1 . 1 90 90 SER C C 13 174.5421067 0.007645934534 . 1 . . . . . 655 SER C . 52864 1 381 . 1 . 1 90 90 SER CA C 13 58.75985525 0.002350719172 . 1 . . . . . 655 SER CA . 52864 1 382 . 1 . 1 90 90 SER CB C 13 63.92583591 0.03301951944 . 1 . . . . . 655 SER CB . 52864 1 383 . 1 . 1 90 90 SER N N 15 115.3030702 0.04055593891 . 1 . . . . . 655 SER N . 52864 1 384 . 1 . 1 91 91 ASP H H 1 8.235161617 0.001703552718 . 1 . . . . . 656 ASP H . 52864 1 385 . 1 . 1 91 91 ASP C C 13 176.3578893 0.02516040609 . 1 . . . . . 656 ASP C . 52864 1 386 . 1 . 1 91 91 ASP CA C 13 54.61200284 0.007854837497 . 1 . . . . . 656 ASP CA . 52864 1 387 . 1 . 1 91 91 ASP CB C 13 41.06588599 0.0006104389143 . 1 . . . . . 656 ASP CB . 52864 1 388 . 1 . 1 91 91 ASP N N 15 122.5588427 0.03333502459 . 1 . . . . . 656 ASP N . 52864 1 389 . 1 . 1 92 92 CYS H H 1 8.008659418 0.001593124796 . 1 . . . . . 657 CYS H . 52864 1 390 . 1 . 1 92 92 CYS C C 13 174.5159218 0.01265262686 . 1 . . . . . 657 CYS C . 52864 1 391 . 1 . 1 92 92 CYS CA C 13 59.01227943 0.006073771885 . 1 . . . . . 657 CYS CA . 52864 1 392 . 1 . 1 92 92 CYS CB C 13 27.77218719 0.06318645246 . 1 . . . . . 657 CYS CB . 52864 1 393 . 1 . 1 92 92 CYS N N 15 119.0227843 0.03856542007 . 1 . . . . . 657 CYS N . 52864 1 394 . 1 . 1 93 93 PHE H H 1 8.070671054 0.004315535817 . 1 . . . . . 658 PHE H . 52864 1 395 . 1 . 1 93 93 PHE C C 13 175.5233019 . . 1 . . . . . 658 PHE C . 52864 1 396 . 1 . 1 93 93 PHE CA C 13 58.27087203 0.02043293791 . 1 . . . . . 658 PHE CA . 52864 1 397 . 1 . 1 93 93 PHE CB C 13 39.37313858 0.04708398377 . 1 . . . . . 658 PHE CB . 52864 1 398 . 1 . 1 93 93 PHE N N 15 122.6721796 0.04588795112 . 1 . . . . . 658 PHE N . 52864 1 399 . 1 . 1 94 94 PHE H H 1 7.939621554 0.002212917224 . 1 . . . . . 659 PHE H . 52864 1 400 . 1 . 1 94 94 PHE C C 13 175.3621654 . . 1 . . . . . 659 PHE C . 52864 1 401 . 1 . 1 94 94 PHE CA C 13 57.94440802 0.04220224078 . 1 . . . . . 659 PHE CA . 52864 1 402 . 1 . 1 94 94 PHE CB C 13 39.48817073 0.01306930882 . 1 . . . . . 659 PHE CB . 52864 1 403 . 1 . 1 94 94 PHE N N 15 121.6989349 0.01809043144 . 1 . . . . . 659 PHE N . 52864 1 404 . 1 . 1 95 95 ARG H H 1 7.961128782 0.001591706473 . 1 . . . . . 660 ARG H . 52864 1 405 . 1 . 1 95 95 ARG C C 13 175.7544292 0.02604641967 . 1 . . . . . 660 ARG C . 52864 1 406 . 1 . 1 95 95 ARG CA C 13 56.05418017 0.01132203094 . 1 . . . . . 660 ARG CA . 52864 1 407 . 1 . 1 95 95 ARG CB C 13 30.92802193 0.01604336869 . 1 . . . . . 660 ARG CB . 52864 1 408 . 1 . 1 95 95 ARG N N 15 123.4132413 0.04360200116 . 1 . . . . . 660 ARG N . 52864 1 409 . 1 . 1 96 96 GLN H H 1 8.238426451 0.001483265397 . 1 . . . . . 661 GLN H . 52864 1 410 . 1 . 1 96 96 GLN C C 13 176.0432598 0.03174294772 . 1 . . . . . 661 GLN C . 52864 1 411 . 1 . 1 96 96 GLN CA C 13 55.96057983 0.008512022716 . 1 . . . . . 661 GLN CA . 52864 1 412 . 1 . 1 96 96 GLN CB C 13 29.49434827 0.06328619187 . 1 . . . . . 661 GLN CB . 52864 1 413 . 1 . 1 96 96 GLN N N 15 122.2290746 0.03750348712 . 1 . . . . . 661 GLN N . 52864 1 414 . 1 . 1 97 97 SER H H 1 8.286146673 0.00334694582 . 1 . . . . . 662 SER H . 52864 1 415 . 1 . 1 97 97 SER C C 13 174.6772359 0.05097593501 . 1 . . . . . 662 SER C . 52864 1 416 . 1 . 1 97 97 SER CA C 13 58.48743588 0.02288889265 . 1 . . . . . 662 SER CA . 52864 1 417 . 1 . 1 97 97 SER CB C 13 63.81985234 0.01271798223 . 1 . . . . . 662 SER CB . 52864 1 418 . 1 . 1 97 97 SER N N 15 117.8403243 0.09264025222 . 1 . . . . . 662 SER N . 52864 1 419 . 1 . 1 98 98 THR H H 1 8.03532797 0.001630810129 . 1 . . . . . 663 THR H . 52864 1 420 . 1 . 1 98 98 THR CA C 13 61.70724083 0.01064106242 . 1 . . . . . 663 THR CA . 52864 1 421 . 1 . 1 98 98 THR CB C 13 69.75023781 0.01155829142 . 1 . . . . . 663 THR CB . 52864 1 422 . 1 . 1 98 98 THR N N 15 115.9502613 0.04700018591 . 1 . . . . . 663 THR N . 52864 1 423 . 1 . 1 99 99 ASP H H 1 8.181928872 0.001819567696 . 1 . . . . . 664 ASP H . 52864 1 424 . 1 . 1 99 99 ASP C C 13 175.0942617 . . 1 . . . . . 664 ASP C . 52864 1 425 . 1 . 1 99 99 ASP CA C 13 52.08670055 . . 1 . . . . . 664 ASP CA . 52864 1 426 . 1 . 1 99 99 ASP CB C 13 41.40826264 . . 1 . . . . . 664 ASP CB . 52864 1 427 . 1 . 1 99 99 ASP N N 15 124.7600091 0.04072455634 . 1 . . . . . 664 ASP N . 52864 1 428 . 1 . 1 100 100 PRO CA C 13 63.72941564 . . 1 . . . . . 665 PRO CA . 52864 1 429 . 1 . 1 100 100 PRO CB C 13 31.87165934 . . 1 . . . . . 665 PRO CB . 52864 1 430 . 1 . 1 101 101 PHE H H 1 8.150822522 0.0009325722378 . 1 . . . . . 666 PHE H . 52864 1 431 . 1 . 1 101 101 PHE C C 13 175.7982287 0.001425334464 . 1 . . . . . 666 PHE C . 52864 1 432 . 1 . 1 101 101 PHE CA C 13 57.65969989 0.1646698687 . 1 . . . . . 666 PHE CA . 52864 1 433 . 1 . 1 101 101 PHE CB C 13 38.88996805 0.08565092169 . 1 . . . . . 666 PHE CB . 52864 1 434 . 1 . 1 101 101 PHE N N 15 118.9413747 0 . 1 . . . . . 666 PHE N . 52864 1 435 . 1 . 1 102 102 ALA H H 1 7.676089416 0.002581913672 . 1 . . . . . 667 ALA H . 52864 1 436 . 1 . 1 102 102 ALA C C 13 177.8016542 0.01759743985 . 1 . . . . . 667 ALA C . 52864 1 437 . 1 . 1 102 102 ALA CA C 13 52.78675329 0.001182961394 . 1 . . . . . 667 ALA CA . 52864 1 438 . 1 . 1 102 102 ALA CB C 13 19.32662422 0.007159450464 . 1 . . . . . 667 ALA CB . 52864 1 439 . 1 . 1 102 102 ALA N N 15 125.0533615 0.06759948351 . 1 . . . . . 667 ALA N . 52864 1 440 . 1 . 1 103 103 THR H H 1 8.065612165 0.00181195581 . 1 . . . . . 668 THR H . 52864 1 441 . 1 . 1 103 103 THR C C 13 174.6146368 0.01197815093 . 1 . . . . . 668 THR C . 52864 1 442 . 1 . 1 103 103 THR CA C 13 61.98549056 0.2926365388 . 1 . . . . . 668 THR CA . 52864 1 443 . 1 . 1 103 103 THR CB C 13 69.92508473 0.01421152939 . 1 . . . . . 668 THR CB . 52864 1 444 . 1 . 1 103 103 THR N N 15 113.7371941 0.03821127812 . 1 . . . . . 668 THR N . 52864 1 445 . 1 . 1 104 104 SER H H 1 8.221627323 0.001376151455 . 1 . . . . . 669 SER H . 52864 1 446 . 1 . 1 104 104 SER C C 13 174.2919074 0.1957908233 . 1 . . . . . 669 SER C . 52864 1 447 . 1 . 1 104 104 SER CA C 13 58.26091593 0.005480223138 . 1 . . . . . 669 SER CA . 52864 1 448 . 1 . 1 104 104 SER CB C 13 64.07189762 0.004577368689 . 1 . . . . . 669 SER CB . 52864 1 449 . 1 . 1 104 104 SER N N 15 118.648153 0.07591287687 . 1 . . . . . 669 SER N . 52864 1 450 . 1 . 1 105 105 SER H H 1 8.356790373 0.001594370903 . 1 . . . . . 670 SER H . 52864 1 451 . 1 . 1 105 105 SER C C 13 173.9369306 . . 1 . . . . . 670 SER C . 52864 1 452 . 1 . 1 105 105 SER CA C 13 58.44804589 . . 1 . . . . . 670 SER CA . 52864 1 453 . 1 . 1 105 105 SER CB C 13 63.82584649 . . 1 . . . . . 670 SER CB . 52864 1 454 . 1 . 1 105 105 SER N N 15 119.2451138 0.03686298566 . 1 . . . . . 670 SER N . 52864 1 stop_ save_