################################### # 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 52866 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Eps15 IDR 481-581' _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' . . . 52866 1 2 '3D HNCO' . . . 52866 1 3 '3D HN(CA)CO' . . . 52866 1 4 '3D HN(CO)CA' . . . 52866 1 5 '3D HNCA' . . . 52866 1 6 '3D CBCA(CO)NH' . . . 52866 1 7 '3D CBCANH' . . . 52866 1 8 HNCOCANNHGPWG3D . . . 52866 1 9 HNCANNHGPWG3D . . . 52866 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 2 $software_2 . . 52866 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 44 44 ASN C C 13 175.646523 . . 1 . . . . . 521 ASN C . 52866 1 2 . 1 . 1 44 44 ASN CA C 13 53.54358125 . . 1 . . . . . 521 ASN CA . 52866 1 3 . 1 . 1 45 45 GLY H H 1 8.299405216 0.002000878561 . 1 . . . . . 522 GLY H . 52866 1 4 . 1 . 1 45 45 GLY C C 13 173.7980918 0.01525172332 . 1 . . . . . 522 GLY C . 52866 1 5 . 1 . 1 45 45 GLY CA C 13 45.48109312 0.02037450544 . 1 . . . . . 522 GLY CA . 52866 1 6 . 1 . 1 45 45 GLY N N 15 110.2809875 0.02539034997 . 1 . . . . . 522 GLY N . 52866 1 7 . 1 . 1 46 46 ALA H H 1 8.031051203 0.002104021625 . 1 . . . . . 523 ALA H . 52866 1 8 . 1 . 1 46 46 ALA C C 13 177.9206964 0.009374509483 . 1 . . . . . 523 ALA C . 52866 1 9 . 1 . 1 46 46 ALA CA C 13 52.55730105 0.004228902271 . 1 . . . . . 523 ALA CA . 52866 1 10 . 1 . 1 46 46 ALA CB C 13 19.58233247 0.08172134957 . 1 . . . . . 523 ALA CB . 52866 1 11 . 1 . 1 46 46 ALA N N 15 124.2038496 0.04752006031 . 1 . . . . . 523 ALA N . 52866 1 12 . 1 . 1 47 47 THR H H 1 8.060665245 0.005438836087 . 1 . . . . . 524 THR H . 52866 1 13 . 1 . 1 47 47 THR C C 13 174.1182516 . . 1 . . . . . 524 THR C . 52866 1 14 . 1 . 1 47 47 THR CA C 13 61.88207088 0.01022291209 . 1 . . . . . 524 THR CA . 52866 1 15 . 1 . 1 47 47 THR CB C 13 69.88065522 0.04208259678 . 1 . . . . . 524 THR CB . 52866 1 16 . 1 . 1 47 47 THR N N 15 113.6132356 0.04462028294 . 1 . . . . . 524 THR N . 52866 1 17 . 1 . 1 48 48 ASP H H 1 8.173892373 0.002414988072 . 1 . . . . . 525 ASP H . 52866 1 18 . 1 . 1 48 48 ASP CA C 13 54.15645031 0.01317580188 . 1 . . . . . 525 ASP CA . 52866 1 19 . 1 . 1 48 48 ASP CB C 13 41.19676054 . . 1 . . . . . 525 ASP CB . 52866 1 20 . 1 . 1 48 48 ASP N N 15 123.1458719 0.02662916929 . 1 . . . . . 525 ASP N . 52866 1 21 . 1 . 1 49 49 TYR H H 1 8.073347133 0.004059569625 . 1 . . . . . 526 TYR H . 52866 1 22 . 1 . 1 49 49 TYR CA C 13 58.52099253 . . 1 . . . . . 526 TYR CA . 52866 1 23 . 1 . 1 49 49 TYR N N 15 121.5587068 0.0568880979 . 1 . . . . . 526 TYR N . 52866 1 24 . 1 . 1 51 51 SER CA C 13 58.64444173 . . 1 . . . . . 528 SER CA . 52866 1 25 . 1 . 1 51 51 SER CB C 13 63.69512602 . . 1 . . . . . 528 SER CB . 52866 1 26 . 1 . 1 52 52 LEU H H 1 8.091991665 0.004027479577 . 1 . . . . . 529 LEU H . 52866 1 27 . 1 . 1 52 52 LEU C C 13 177.5354955 0.01867645297 . 1 . . . . . 529 LEU C . 52866 1 28 . 1 . 1 52 52 LEU CA C 13 55.39445288 0.01551870976 . 1 . . . . . 529 LEU CA . 52866 1 29 . 1 . 1 52 52 LEU CB C 13 42.31635733 . . 1 . . . . . 529 LEU CB . 52866 1 30 . 1 . 1 52 52 LEU N N 15 124.5824137 0.03970309512 . 1 . . . . . 529 LEU N . 52866 1 31 . 1 . 1 53 53 SER H H 1 8.227056806 0.004654980447 . 1 . . . . . 530 SER H . 52866 1 32 . 1 . 1 53 53 SER C C 13 174.8647638 . . 1 . . . . . 530 SER C . 52866 1 33 . 1 . 1 53 53 SER CA C 13 58.45732256 0.008116398074 . 1 . . . . . 530 SER CA . 52866 1 34 . 1 . 1 53 53 SER CB C 13 63.74028156 0.04650231185 . 1 . . . . . 530 SER CB . 52866 1 35 . 1 . 1 53 53 SER N N 15 117.076843 0.06543215177 . 1 . . . . . 530 SER N . 52866 1 36 . 1 . 1 54 54 THR H H 1 8.082121589 0.003862549219 . 1 . . . . . 531 THR H . 52866 1 37 . 1 . 1 54 54 THR C C 13 174.7729349 . . 1 . . . . . 531 THR C . 52866 1 38 . 1 . 1 54 54 THR CA C 13 61.85791749 . . 1 . . . . . 531 THR CA . 52866 1 39 . 1 . 1 54 54 THR CB C 13 69.82004888 . . 1 . . . . . 531 THR CB . 52866 1 40 . 1 . 1 54 54 THR N N 15 116.1748323 0.03122587598 . 1 . . . . . 531 THR N . 52866 1 41 . 1 . 1 56 56 SER CA C 13 58.50273365 . . 1 . . . . . 533 SER CA . 52866 1 42 . 1 . 1 56 56 SER CB C 13 63.81007501 . . 1 . . . . . 533 SER CB . 52866 1 43 . 1 . 1 57 57 SER H H 1 8.299769073 0.004989036763 . 1 . . . . . 534 SER H . 52866 1 44 . 1 . 1 57 57 SER CA C 13 58.81985046 0.003191491511 . 1 . . . . . 534 SER CA . 52866 1 45 . 1 . 1 57 57 SER CB C 13 63.73459266 0.04266331694 . 1 . . . . . 534 SER CB . 52866 1 46 . 1 . 1 57 57 SER N N 15 118.5487144 0.03163541201 . 1 . . . . . 534 SER N . 52866 1 47 . 1 . 1 58 58 GLU H H 1 8.359257744 0.002877000864 . 1 . . . . . 535 GLU H . 52866 1 48 . 1 . 1 58 58 GLU C C 13 176.8455169 0.01655702564 . 1 . . . . . 535 GLU C . 52866 1 49 . 1 . 1 58 58 GLU CA C 13 57.04372754 0.008144848618 . 1 . . . . . 535 GLU CA . 52866 1 50 . 1 . 1 58 58 GLU CB C 13 30.19312587 0.01267284182 . 1 . . . . . 535 GLU CB . 52866 1 51 . 1 . 1 58 58 GLU N N 15 123.3757571 0.03058087252 . 1 . . . . . 535 GLU N . 52866 1 52 . 1 . 1 59 59 THR H H 1 8.017056489 0.003037953766 . 1 . . . . . 536 THR H . 52866 1 53 . 1 . 1 59 59 THR C C 13 174.4589595 0.01673172806 . 1 . . . . . 536 THR C . 52866 1 54 . 1 . 1 59 59 THR CA C 13 62.04131802 0.01860827675 . 1 . . . . . 536 THR CA . 52866 1 55 . 1 . 1 59 59 THR CB C 13 69.68324659 0.003282463875 . 1 . . . . . 536 THR CB . 52866 1 56 . 1 . 1 59 59 THR N N 15 115.0798538 0.0447799335 . 1 . . . . . 536 THR N . 52866 1 57 . 1 . 1 60 60 ALA H H 1 8.129060951 0.002043300533 . 1 . . . . . 537 ALA H . 52866 1 58 . 1 . 1 60 60 ALA C C 13 177.3607488 0.01267927388 . 1 . . . . . 537 ALA C . 52866 1 59 . 1 . 1 60 60 ALA CA C 13 52.8757604 0.004256905664 . 1 . . . . . 537 ALA CA . 52866 1 60 . 1 . 1 60 60 ALA CB C 13 19.25335769 0.01398843667 . 1 . . . . . 537 ALA CB . 52866 1 61 . 1 . 1 60 60 ALA N N 15 126.910389 0.03479683759 . 1 . . . . . 537 ALA N . 52866 1 62 . 1 . 1 61 61 ASN H H 1 8.297254507 0.003214577632 . 1 . . . . . 538 ASN H . 52866 1 63 . 1 . 1 61 61 ASN C C 13 175.3101117 0.03242310092 . 1 . . . . . 538 ASN C . 52866 1 64 . 1 . 1 61 61 ASN CA C 13 53.24872512 0.02576898298 . 1 . . . . . 538 ASN CA . 52866 1 65 . 1 . 1 61 61 ASN CB C 13 38.68277617 0.02882850958 . 1 . . . . . 538 ASN CB . 52866 1 66 . 1 . 1 61 61 ASN N N 15 118.4147649 0.04799963389 . 1 . . . . . 538 ASN N . 52866 1 67 . 1 . 1 62 62 LEU H H 1 8.132020839 0.001765871377 . 1 . . . . . 539 LEU H . 52866 1 68 . 1 . 1 62 62 LEU C C 13 177.2246341 0.001211553797 . 1 . . . . . 539 LEU C . 52866 1 69 . 1 . 1 62 62 LEU CA C 13 55.61396792 0.01287194281 . 1 . . . . . 539 LEU CA . 52866 1 70 . 1 . 1 62 62 LEU CB C 13 42.19542176 0.004672162116 . 1 . . . . . 539 LEU CB . 52866 1 71 . 1 . 1 62 62 LEU N N 15 123.3442985 0.06254766246 . 1 . . . . . 539 LEU N . 52866 1 72 . 1 . 1 63 63 ASN H H 1 8.311609208 0.002520283789 . 1 . . . . . 540 ASN H . 52866 1 73 . 1 . 1 63 63 ASN C C 13 175.0165609 0.01857868706 . 1 . . . . . 540 ASN C . 52866 1 74 . 1 . 1 63 63 ASN CA C 13 53.42212833 0.0297231009 . 1 . . . . . 540 ASN CA . 52866 1 75 . 1 . 1 63 63 ASN CB C 13 38.92163455 0.01560357592 . 1 . . . . . 540 ASN CB . 52866 1 76 . 1 . 1 63 63 ASN N N 15 119.3074308 0.03554341552 . 1 . . . . . 540 ASN N . 52866 1 77 . 1 . 1 64 64 GLU H H 1 8.130670127 0.003962496335 . 1 . . . . . 541 GLU H . 52866 1 78 . 1 . 1 64 64 GLU C C 13 176.0800629 0.01647318702 . 1 . . . . . 541 GLU C . 52866 1 79 . 1 . 1 64 64 GLU CA C 13 56.75021256 0.01613497985 . 1 . . . . . 541 GLU CA . 52866 1 80 . 1 . 1 64 64 GLU CB C 13 30.24707217 0.1444926017 . 1 . . . . . 541 GLU CB . 52866 1 81 . 1 . 1 64 64 GLU N N 15 121.0390271 0.0641086449 . 1 . . . . . 541 GLU N . 52866 1 82 . 1 . 1 65 65 HIS H H 1 8.408458733 0.001790286706 . 1 . . . . . 542 HIS H . 52866 1 83 . 1 . 1 65 65 HIS C C 13 174.3419209 0.001490553601 . 1 . . . . . 542 HIS C . 52866 1 84 . 1 . 1 65 65 HIS CA C 13 55.53590074 0.002553729881 . 1 . . . . . 542 HIS CA . 52866 1 85 . 1 . 1 65 65 HIS CB C 13 29.27718011 0.0147500505 . 1 . . . . . 542 HIS CB . 52866 1 86 . 1 . 1 65 65 HIS N N 15 120.6337007 0.03994807874 . 1 . . . . . 542 HIS N . 52866 1 87 . 1 . 1 66 66 VAL H H 1 8.078282228 0.003294177372 . 1 . . . . . 543 VAL H . 52866 1 88 . 1 . 1 66 66 VAL C C 13 175.9712614 0.02209399442 . 1 . . . . . 543 VAL C . 52866 1 89 . 1 . 1 66 66 VAL CA C 13 62.18011576 0.01535407111 . 1 . . . . . 543 VAL CA . 52866 1 90 . 1 . 1 66 66 VAL CB C 13 32.94551657 0.01903496405 . 1 . . . . . 543 VAL CB . 52866 1 91 . 1 . 1 66 66 VAL N N 15 123.2385681 0.04220512244 . 1 . . . . . 543 VAL N . 52866 1 92 . 1 . 1 67 67 GLU H H 1 8.536228918 0.005015928435 . 1 . . . . . 544 GLU H . 52866 1 93 . 1 . 1 67 67 GLU C C 13 177.0084021 0.01183602086 . 1 . . . . . 544 GLU C . 52866 1 94 . 1 . 1 67 67 GLU CA C 13 56.85630983 0.0106225053 . 1 . . . . . 544 GLU CA . 52866 1 95 . 1 . 1 67 67 GLU CB C 13 30.20011448 0.02261566777 . 1 . . . . . 544 GLU CB . 52866 1 96 . 1 . 1 67 67 GLU N N 15 126.0144642 0.04430096397 . 1 . . . . . 544 GLU N . 52866 1 97 . 1 . 1 68 68 GLY H H 1 8.436171851 0.003406181962 . 1 . . . . . 545 GLY H . 52866 1 98 . 1 . 1 68 68 GLY C C 13 174.1177485 0.002015044098 . 1 . . . . . 545 GLY C . 52866 1 99 . 1 . 1 68 68 GLY CA C 13 45.43898092 0.002525191199 . 1 . . . . . 545 GLY CA . 52866 1 100 . 1 . 1 68 68 GLY N N 15 111.4285673 0.0441604354 . 1 . . . . . 545 GLY N . 52866 1 101 . 1 . 1 69 69 GLN H H 1 8.138419625 0.002252045965 . 1 . . . . . 546 GLN H . 52866 1 102 . 1 . 1 69 69 GLN C C 13 176.0897935 0.02648191018 . 1 . . . . . 546 GLN C . 52866 1 103 . 1 . 1 69 69 GLN CA C 13 55.78849114 0.01162197738 . 1 . . . . . 546 GLN CA . 52866 1 104 . 1 . 1 69 69 GLN CB C 13 29.69998495 0.006812906561 . 1 . . . . . 546 GLN CB . 52866 1 105 . 1 . 1 69 69 GLN N N 15 120.5754182 0.03956609224 . 1 . . . . . 546 GLN N . 52866 1 106 . 1 . 1 70 70 SER H H 1 8.373985114 0.002172797625 . 1 . . . . . 547 SER H . 52866 1 107 . 1 . 1 70 70 SER C C 13 174.2165294 0.02493932661 . 1 . . . . . 547 SER C . 52866 1 108 . 1 . 1 70 70 SER CA C 13 58.46248848 0.01832036171 . 1 . . . . . 547 SER CA . 52866 1 109 . 1 . 1 70 70 SER CB C 13 63.87715 0.003242803026 . 1 . . . . . 547 SER CB . 52866 1 110 . 1 . 1 70 70 SER N N 15 117.9760046 0.0302668078 . 1 . . . . . 547 SER N . 52866 1 111 . 1 . 1 71 71 ASN H H 1 8.451967717 0.003742164299 . 1 . . . . . 548 ASN H . 52866 1 112 . 1 . 1 71 71 ASN C C 13 175.1306533 0.01732123867 . 1 . . . . . 548 ASN C . 52866 1 113 . 1 . 1 71 71 ASN CA C 13 53.34885024 0.01495632243 . 1 . . . . . 548 ASN CA . 52866 1 114 . 1 . 1 71 71 ASN CB C 13 38.73969251 0.04448886725 . 1 . . . . . 548 ASN CB . 52866 1 115 . 1 . 1 71 71 ASN N N 15 121.525465 0.03677516765 . 1 . . . . . 548 ASN N . 52866 1 116 . 1 . 1 72 72 LEU H H 1 8.14672969 0.002808601706 . 1 . . . . . 549 LEU H . 52866 1 117 . 1 . 1 72 72 LEU C C 13 177.5220941 0.05107979051 . 1 . . . . . 549 LEU C . 52866 1 118 . 1 . 1 72 72 LEU CA C 13 55.52628843 0.03126144662 . 1 . . . . . 549 LEU CA . 52866 1 119 . 1 . 1 72 72 LEU CB C 13 42.29314838 0.0178568126 . 1 . . . . . 549 LEU CB . 52866 1 120 . 1 . 1 72 72 LEU N N 15 123.0050244 0.1190078024 . 1 . . . . . 549 LEU N . 52866 1 121 . 1 . 1 73 73 GLU H H 1 8.306480239 0.002570110548 . 1 . . . . . 550 GLU H . 52866 1 122 . 1 . 1 73 73 GLU C C 13 176.3809084 0.00561899145 . 1 . . . . . 550 GLU C . 52866 1 123 . 1 . 1 73 73 GLU CA C 13 56.69995375 0.01373915342 . 1 . . . . . 550 GLU CA . 52866 1 124 . 1 . 1 73 73 GLU CB C 13 30.1837321 0.00655449081 . 1 . . . . . 550 GLU CB . 52866 1 125 . 1 . 1 73 73 GLU N N 15 121.9646247 0.03466742178 . 1 . . . . . 550 GLU N . 52866 1 126 . 1 . 1 74 74 SER H H 1 8.1063421 0.002426722502 . 1 . . . . . 551 SER H . 52866 1 127 . 1 . 1 74 74 SER C C 13 174.0339141 0.005587683538 . 1 . . . . . 551 SER C . 52866 1 128 . 1 . 1 74 74 SER CA C 13 58.2405023 0.001763542503 . 1 . . . . . 551 SER CA . 52866 1 129 . 1 . 1 74 74 SER CB C 13 64.0502213 0.04183823847 . 1 . . . . . 551 SER CB . 52866 1 130 . 1 . 1 74 74 SER N N 15 117.0198029 0.03549788818 . 1 . . . . . 551 SER N . 52866 1 131 . 1 . 1 75 75 GLU H H 1 8.225095535 0.002843245771 . 1 . . . . . 552 GLU H . 52866 1 132 . 1 . 1 75 75 GLU C C 13 174.4404738 . . 1 . . . . . 552 GLU C . 52866 1 133 . 1 . 1 75 75 GLU CA C 13 54.46384366 . . 1 . . . . . 552 GLU CA . 52866 1 134 . 1 . 1 75 75 GLU CB C 13 29.924732 . . 1 . . . . . 552 GLU CB . 52866 1 135 . 1 . 1 75 75 GLU N N 15 124.6697479 0.0170061138 . 1 . . . . . 552 GLU N . 52866 1 136 . 1 . 1 76 76 PRO CA C 13 63.0973831 . . 1 . . . . . 553 PRO CA . 52866 1 137 . 1 . 1 76 76 PRO CB C 13 32.01523439 . . 1 . . . . . 553 PRO CB . 52866 1 138 . 1 . 1 77 77 ILE H H 1 8.092264576 0.002447866091 . 1 . . . . . 554 ILE H . 52866 1 139 . 1 . 1 77 77 ILE C C 13 176.1996302 0.00493595441 . 1 . . . . . 554 ILE C . 52866 1 140 . 1 . 1 77 77 ILE CA C 13 61.16669347 0.01292213647 . 1 . . . . . 554 ILE CA . 52866 1 141 . 1 . 1 77 77 ILE CB C 13 38.75671031 0.02398768813 . 1 . . . . . 554 ILE CB . 52866 1 142 . 1 . 1 77 77 ILE N N 15 121.320153 0.02702479218 . 1 . . . . . 554 ILE N . 52866 1 143 . 1 . 1 78 78 HIS H H 1 8.491516119 0.00281329136 . 1 . . . . . 555 HIS H . 52866 1 144 . 1 . 1 78 78 HIS C C 13 174.291887 0.005780387052 . 1 . . . . . 555 HIS C . 52866 1 145 . 1 . 1 78 78 HIS CA C 13 55.3116156 0.01147585393 . 1 . . . . . 555 HIS CA . 52866 1 146 . 1 . 1 78 78 HIS CB C 13 29.57339961 0.02108154641 . 1 . . . . . 555 HIS CB . 52866 1 147 . 1 . 1 78 78 HIS N N 15 124.0853905 0.02501835401 . 1 . . . . . 555 HIS N . 52866 1 148 . 1 . 1 79 79 GLN H H 1 8.376060801 0.00249400737 . 1 . . . . . 556 GLN H . 52866 1 149 . 1 . 1 79 79 GLN C C 13 175.4660475 0.004400864647 . 1 . . . . . 556 GLN C . 52866 1 150 . 1 . 1 79 79 GLN CA C 13 55.61665837 0.002235799282 . 1 . . . . . 556 GLN CA . 52866 1 151 . 1 . 1 79 79 GLN CB C 13 29.80466518 . . 1 . . . . . 556 GLN CB . 52866 1 152 . 1 . 1 79 79 GLN N N 15 123.7272062 0.03754132787 . 1 . . . . . 556 GLN N . 52866 1 153 . 1 . 1 80 80 GLU H H 1 8.537735632 0.002813958723 . 1 . . . . . 557 GLU H . 52866 1 154 . 1 . 1 80 80 GLU C C 13 176.2492049 0.007598582754 . 1 . . . . . 557 GLU C . 52866 1 155 . 1 . 1 80 80 GLU CA C 13 56.44436784 0.06728288165 . 1 . . . . . 557 GLU CA . 52866 1 156 . 1 . 1 80 80 GLU CB C 13 30.43679968 0.02461082356 . 1 . . . . . 557 GLU CB . 52866 1 157 . 1 . 1 80 80 GLU N N 15 123.7244379 0.03140148924 . 1 . . . . . 557 GLU N . 52866 1 158 . 1 . 1 81 81 SER H H 1 8.397332487 0.004250060246 . 1 . . . . . 558 SER H . 52866 1 159 . 1 . 1 81 81 SER C C 13 172.6475989 . . 1 . . . . . 558 SER C . 52866 1 160 . 1 . 1 81 81 SER CA C 13 56.42476416 . . 1 . . . . . 558 SER CA . 52866 1 161 . 1 . 1 81 81 SER CB C 13 63.4496349 . . 1 . . . . . 558 SER CB . 52866 1 162 . 1 . 1 81 81 SER N N 15 119.3260506 0.07384450471 . 1 . . . . . 558 SER N . 52866 1 163 . 1 . 1 82 82 PRO C C 13 176.613015 0.01712260512 . 1 . . . . . 559 PRO C . 52866 1 164 . 1 . 1 82 82 PRO CA C 13 63.24312406 . . 1 . . . . . 559 PRO CA . 52866 1 165 . 1 . 1 82 82 PRO CB C 13 32.03772566 . . 1 . . . . . 559 PRO CB . 52866 1 166 . 1 . 1 83 83 ALA H H 1 8.270715011 0.002566593905 . 1 . . . . . 560 ALA H . 52866 1 167 . 1 . 1 83 83 ALA C C 13 177.7454482 0.01684130379 . 1 . . . . . 560 ALA C . 52866 1 168 . 1 . 1 83 83 ALA CA C 13 52.54806318 0.01026421848 . 1 . . . . . 560 ALA CA . 52866 1 169 . 1 . 1 83 83 ALA CB C 13 19.13474855 0.018185059 . 1 . . . . . 560 ALA CB . 52866 1 170 . 1 . 1 83 83 ALA N N 15 125.0340784 0.03174866062 . 1 . . . . . 560 ALA N . 52866 1 171 . 1 . 1 84 84 ARG H H 1 8.223542894 0.00243596661 . 1 . . . . . 561 ARG H . 52866 1 172 . 1 . 1 84 84 ARG C C 13 176.2706976 0.009501633867 . 1 . . . . . 561 ARG C . 52866 1 173 . 1 . 1 84 84 ARG CA C 13 55.96844532 0.01012677274 . 1 . . . . . 561 ARG CA . 52866 1 174 . 1 . 1 84 84 ARG CB C 13 31.02271945 0.01236794841 . 1 . . . . . 561 ARG CB . 52866 1 175 . 1 . 1 84 84 ARG N N 15 121.1049601 0.05640584138 . 1 . . . . . 561 ARG N . 52866 1 176 . 1 . 1 85 85 SER H H 1 8.282864575 0.003210937441 . 1 . . . . . 562 SER H . 52866 1 177 . 1 . 1 85 85 SER C C 13 174.0527641 0.007310547338 . 1 . . . . . 562 SER C . 52866 1 178 . 1 . 1 85 85 SER CA C 13 58.23731238 0.008650698113 . 1 . . . . . 562 SER CA . 52866 1 179 . 1 . 1 85 85 SER CB C 13 64.02809024 0.02564405386 . 1 . . . . . 562 SER CB . 52866 1 180 . 1 . 1 85 85 SER N N 15 117.9547993 0.03582362148 . 1 . . . . . 562 SER N . 52866 1 181 . 1 . 1 86 86 SER H H 1 8.215147812 0.00456349361 . 1 . . . . . 563 SER H . 52866 1 182 . 1 . 1 86 86 SER C C 13 172.9011825 . . 1 . . . . . 563 SER C . 52866 1 183 . 1 . 1 86 86 SER CA C 13 56.48840545 . . 1 . . . . . 563 SER CA . 52866 1 184 . 1 . 1 86 86 SER CB C 13 63.54417482 . . 1 . . . . . 563 SER CB . 52866 1 185 . 1 . 1 86 86 SER N N 15 119.3331543 0.05986875748 . 1 . . . . . 563 SER N . 52866 1 186 . 1 . 1 87 87 PRO C C 13 176.8009172 . . 1 . . . . . 564 PRO C . 52866 1 187 . 1 . 1 87 87 PRO CA C 13 63.58464797 . . 1 . . . . . 564 PRO CA . 52866 1 188 . 1 . 1 87 87 PRO CB C 13 32.03726213 . . 1 . . . . . 564 PRO CB . 52866 1 189 . 1 . 1 88 88 GLU H H 1 8.446503942 0.002434406996 . 1 . . . . . 565 GLU H . 52866 1 190 . 1 . 1 88 88 GLU C C 13 176.141031 0.05132874251 . 1 . . . . . 565 GLU C . 52866 1 191 . 1 . 1 88 88 GLU CA C 13 56.75176353 0.008583680078 . 1 . . . . . 565 GLU CA . 52866 1 192 . 1 . 1 88 88 GLU CB C 13 30.07865294 0.01971174394 . 1 . . . . . 565 GLU CB . 52866 1 193 . 1 . 1 88 88 GLU N N 15 121.2809709 0.04413464661 . 1 . . . . . 565 GLU N . 52866 1 194 . 1 . 1 90 90 LEU H H 1 8.092097349 0.002397914253 . 1 . . . . . 567 LEU H . 52866 1 195 . 1 . 1 90 90 LEU C C 13 175.2208525 . . 1 . . . . . 567 LEU C . 52866 1 196 . 1 . 1 90 90 LEU CA C 13 52.91810772 . . 1 . . . . . 567 LEU CA . 52866 1 197 . 1 . 1 90 90 LEU CB C 13 41.75996612 . . 1 . . . . . 567 LEU CB . 52866 1 198 . 1 . 1 90 90 LEU N N 15 125.2950549 0.02539931336 . 1 . . . . . 567 LEU N . 52866 1 199 . 1 . 1 91 91 PRO C C 13 177.0277292 . . 1 . . . . . 568 PRO C . 52866 1 200 . 1 . 1 91 91 PRO CA C 13 63.2453015 . . 1 . . . . . 568 PRO CA . 52866 1 201 . 1 . 1 91 91 PRO CB C 13 31.98861838 . . 1 . . . . . 568 PRO CB . 52866 1 202 . 1 . 1 92 92 SER H H 1 8.319916756 0.002527029107 . 1 . . . . . 569 SER H . 52866 1 203 . 1 . 1 92 92 SER C C 13 175.2351062 0.005246608894 . 1 . . . . . 569 SER C . 52866 1 204 . 1 . 1 92 92 SER CA C 13 58.555277 0.004276804228 . 1 . . . . . 569 SER CA . 52866 1 205 . 1 . 1 92 92 SER CB C 13 63.92155889 0.0146337096 . 1 . . . . . 569 SER CB . 52866 1 206 . 1 . 1 92 92 SER N N 15 116.5970948 0.04328675317 . 1 . . . . . 569 SER N . 52866 1 207 . 1 . 1 93 93 GLY H H 1 8.357832374 0.002978902148 . 1 . . . . . 570 GLY H . 52866 1 208 . 1 . 1 93 93 GLY C C 13 174.0007363 0.0004309088515 . 1 . . . . . 570 GLY C . 52866 1 209 . 1 . 1 93 93 GLY CA C 13 45.42134384 0.005042278314 . 1 . . . . . 570 GLY CA . 52866 1 210 . 1 . 1 93 93 GLY N N 15 111.7377509 0.03985222365 . 1 . . . . . 570 GLY N . 52866 1 211 . 1 . 1 94 94 VAL H H 1 7.898259681 0.002869782063 . 1 . . . . . 571 VAL H . 52866 1 212 . 1 . 1 94 94 VAL C C 13 176.3667135 0.001262223896 . 1 . . . . . 571 VAL C . 52866 1 213 . 1 . 1 94 94 VAL CA C 13 62.28120401 0.003460458147 . 1 . . . . . 571 VAL CA . 52866 1 214 . 1 . 1 94 94 VAL CB C 13 32.88166182 0.006371776578 . 1 . . . . . 571 VAL CB . 52866 1 215 . 1 . 1 94 94 VAL N N 15 119.9923092 0.03734004829 . 1 . . . . . 571 VAL N . 52866 1 216 . 1 . 1 95 95 THR H H 1 8.225540417 0.003188004799 . 1 . . . . . 572 THR H . 52866 1 217 . 1 . 1 95 95 THR C C 13 174.0826994 0.01061526018 . 1 . . . . . 572 THR C . 52866 1 218 . 1 . 1 95 95 THR CA C 13 61.62945565 0.01460552558 . 1 . . . . . 572 THR CA . 52866 1 219 . 1 . 1 95 95 THR CB C 13 70.06792109 0.00197104387 . 1 . . . . . 572 THR CB . 52866 1 220 . 1 . 1 95 95 THR N N 15 118.658189 0.05095381717 . 1 . . . . . 572 THR N . 52866 1 221 . 1 . 1 96 96 ASP H H 1 8.283698158 0.00245301115 . 1 . . . . . 573 ASP H . 52866 1 222 . 1 . 1 96 96 ASP C C 13 176.3338287 0.009126252431 . 1 . . . . . 573 ASP C . 52866 1 223 . 1 . 1 96 96 ASP CA C 13 54.30043386 0.01749071257 . 1 . . . . . 573 ASP CA . 52866 1 224 . 1 . 1 96 96 ASP CB C 13 41.35162363 0.007220833602 . 1 . . . . . 573 ASP CB . 52866 1 225 . 1 . 1 96 96 ASP N N 15 123.7575867 0.02508378705 . 1 . . . . . 573 ASP N . 52866 1 226 . 1 . 1 97 97 GLU H H 1 8.426116874 0.002628834196 . 1 . . . . . 574 GLU H . 52866 1 227 . 1 . 1 97 97 GLU C C 13 176.3061732 . . 1 . . . . . 574 GLU C . 52866 1 228 . 1 . 1 97 97 GLU CA C 13 57.01350725 0.0033991413 . 1 . . . . . 574 GLU CA . 52866 1 229 . 1 . 1 97 97 GLU CB C 13 30.11227784 0.01938910748 . 1 . . . . . 574 GLU CB . 52866 1 230 . 1 . 1 97 97 GLU N N 15 122.6323551 0.04119326251 . 1 . . . . . 574 GLU N . 52866 1 231 . 1 . 1 98 98 ASN H H 1 8.401162707 0.002790347353 . 1 . . . . . 575 ASN H . 52866 1 232 . 1 . 1 98 98 ASN C C 13 175.0666827 0.02161540183 . 1 . . . . . 575 ASN C . 52866 1 233 . 1 . 1 98 98 ASN CA C 13 53.55449449 0.01177156633 . 1 . . . . . 575 ASN CA . 52866 1 234 . 1 . 1 98 98 ASN CB C 13 39.20192853 0.003426365253 . 1 . . . . . 575 ASN CB . 52866 1 235 . 1 . 1 98 98 ASN N N 15 119.6487805 0.04811198102 . 1 . . . . . 575 ASN N . 52866 1 236 . 1 . 1 99 99 GLU H H 1 8.151439905 0.002527694753 . 1 . . . . . 576 GLU H . 52866 1 237 . 1 . 1 99 99 GLU C C 13 176.3572773 . . 1 . . . . . 576 GLU C . 52866 1 238 . 1 . 1 99 99 GLU CA C 13 56.67251756 0.02757771602 . 1 . . . . . 576 GLU CA . 52866 1 239 . 1 . 1 99 99 GLU CB C 13 30.29206894 0.005454943667 . 1 . . . . . 576 GLU CB . 52866 1 240 . 1 . 1 99 99 GLU N N 15 122.0284739 0.1382684767 . 1 . . . . . 576 GLU N . 52866 1 241 . 1 . 1 100 100 VAL H H 1 8.149985345 0.003195770334 . 1 . . . . . 577 VAL H . 52866 1 242 . 1 . 1 100 100 VAL C C 13 176.452201 0.02238940492 . 1 . . . . . 577 VAL C . 52866 1 243 . 1 . 1 100 100 VAL CA C 13 62.44983511 0.01693374705 . 1 . . . . . 577 VAL CA . 52866 1 244 . 1 . 1 100 100 VAL CB C 13 32.72942007 0.02436518452 . 1 . . . . . 577 VAL CB . 52866 1 245 . 1 . 1 100 100 VAL N N 15 122.5616202 0.02950897193 . 1 . . . . . 577 VAL N . 52866 1 246 . 1 . 1 101 101 THR H H 1 8.244560167 0.002451964142 . 1 . . . . . 578 THR H . 52866 1 247 . 1 . 1 101 101 THR C C 13 174.5205265 0.0269946327 . 1 . . . . . 578 THR C . 52866 1 248 . 1 . 1 101 101 THR CA C 13 61.76861743 0.01275299829 . 1 . . . . . 578 THR CA . 52866 1 249 . 1 . 1 101 101 THR CB C 13 69.84012475 0.006645163014 . 1 . . . . . 578 THR CB . 52866 1 250 . 1 . 1 101 101 THR N N 15 119.2777627 0.07458793671 . 1 . . . . . 578 THR N . 52866 1 251 . 1 . 1 102 102 THR H H 1 8.067492633 0.002507410372 . 1 . . . . . 579 THR H . 52866 1 252 . 1 . 1 102 102 THR C C 13 173.910837 0.02868102724 . 1 . . . . . 579 THR C . 52866 1 253 . 1 . 1 102 102 THR CA C 13 61.70259697 0.01278295799 . 1 . . . . . 579 THR CA . 52866 1 254 . 1 . 1 102 102 THR CB C 13 69.89391273 0.0002191127708 . 1 . . . . . 579 THR CB . 52866 1 255 . 1 . 1 102 102 THR N N 15 117.7056223 0.06923355237 . 1 . . . . . 579 THR N . 52866 1 256 . 1 . 1 103 103 ALA H H 1 8.236994401 0.002387203057 . 1 . . . . . 580 ALA H . 52866 1 257 . 1 . 1 103 103 ALA C C 13 176.6152529 0.0009459353199 . 1 . . . . . 580 ALA C . 52866 1 258 . 1 . 1 103 103 ALA CA C 13 52.5615773 0.008665007246 . 1 . . . . . 580 ALA CA . 52866 1 259 . 1 . 1 103 103 ALA CB C 13 19.30539499 0.0002458586907 . 1 . . . . . 580 ALA CB . 52866 1 260 . 1 . 1 103 103 ALA N N 15 128.5357129 0.04369372819 . 1 . . . . . 580 ALA N . 52866 1 261 . 1 . 1 104 104 VAL H H 1 7.626838978 0.002284378067 . 1 . . . . . 581 VAL H . 52866 1 262 . 1 . 1 104 104 VAL C C 13 181.0777071 . . 1 . . . . . 581 VAL C . 52866 1 263 . 1 . 1 104 104 VAL CA C 13 63.52925984 . . 1 . . . . . 581 VAL CA . 52866 1 264 . 1 . 1 104 104 VAL CB C 13 33.26053089 . . 1 . . . . . 581 VAL CB . 52866 1 265 . 1 . 1 104 104 VAL N N 15 124.2640413 0.06361338029 . 1 . . . . . 581 VAL N . 52866 1 stop_ save_