################################### # 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 53037 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chemical_shift_Mid2 _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' . . . 53037 1 2 '3D HNCACB' . . . 53037 1 3 '3D CBCACONH' . . . 53037 1 4 '3D H(CCO)NH' . . . 53037 1 5 '3D HNCO' . . . 53037 1 6 '3D HNHA' . . . 53037 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53037 1 2 $software_2 . . 53037 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 H H 1 7.824415821 0.001498998843 . . . . . . . 637 HIS H . 53037 1 2 . 1 . 1 2 2 HIS HA H 1 4.304107988 . . . . . . . . 637 HIS HA . 53037 1 3 . 1 . 1 2 2 HIS CA C 13 54.8704559 . . . . . . . . 637 HIS CA . 53037 1 4 . 1 . 1 2 2 HIS CB C 13 28.26430587 . . . . . . . . 637 HIS CB . 53037 1 5 . 1 . 1 2 2 HIS N N 15 125.7222039 0.008243885259 . . . . . . . 637 HIS N . 53037 1 6 . 1 . 1 6 6 ALA C C 13 175.4382672 . . . . . . . . 641 ALA C . 53037 1 7 . 1 . 1 6 6 ALA CA C 13 49.9037212 0.0262007778 . . . . . . . 641 ALA CA . 53037 1 8 . 1 . 1 6 6 ALA CB C 13 16.48621739 0.02943729818 . . . . . . . 641 ALA CB . 53037 1 9 . 1 . 1 7 7 GLY H H 1 8.265899146 0.003992156959 . . . . . . . 642 GLY H . 53037 1 10 . 1 . 1 7 7 GLY C C 13 171.2311903 . . . . . . . . 642 GLY C . 53037 1 11 . 1 . 1 7 7 GLY CA C 13 42.5897413 0.05226137887 . . . . . . . 642 GLY CA . 53037 1 12 . 1 . 1 7 7 GLY N N 15 108.0135634 0.04431765121 . . . . . . . 642 GLY N . 53037 1 13 . 1 . 1 8 8 ILE H H 1 7.776239106 0.001210230826 . . . . . . . 643 ILE H . 53037 1 14 . 1 . 1 8 8 ILE HA H 1 4.092905557 . . . . . . . . 643 ILE HA . 53037 1 15 . 1 . 1 8 8 ILE C C 13 173.2331887 . . . . . . . . 643 ILE C . 53037 1 16 . 1 . 1 8 8 ILE CA C 13 58.24896071 0.0288634843 . . . . . . . 643 ILE CA . 53037 1 17 . 1 . 1 8 8 ILE CB C 13 36.12283957 0.01894992406 . . . . . . . 643 ILE CB . 53037 1 18 . 1 . 1 8 8 ILE CG1 C 13 24.2969936 . . . . . . . . 643 ILE CG1 . 53037 1 19 . 1 . 1 8 8 ILE CG2 C 13 14.82975872 . . . . . . . . 643 ILE CG2 . 53037 1 20 . 1 . 1 8 8 ILE CD1 C 13 10.18608712 . . . . . . . . 643 ILE CD1 . 53037 1 21 . 1 . 1 8 8 ILE N N 15 119.8209124 0.01070420468 . . . . . . . 643 ILE N . 53037 1 22 . 1 . 1 9 9 LYS H H 1 8.291344379 0.0008720187968 . . . . . . . 644 LYS H . 53037 1 23 . 1 . 1 9 9 LYS HA H 1 4.283666293 . . . . . . . . 644 LYS HA . 53037 1 24 . 1 . 1 9 9 LYS C C 13 173.2450458 . . . . . . . . 644 LYS C . 53037 1 25 . 1 . 1 9 9 LYS CA C 13 53.33047754 0.02542183048 . . . . . . . 644 LYS CA . 53037 1 26 . 1 . 1 9 9 LYS CB C 13 30.45436953 0.03619223955 . . . . . . . 644 LYS CB . 53037 1 27 . 1 . 1 9 9 LYS CG C 13 22.05957033 . . . . . . . . 644 LYS CG . 53037 1 28 . 1 . 1 9 9 LYS CD C 13 26.27678578 . . . . . . . . 644 LYS CD . 53037 1 29 . 1 . 1 9 9 LYS CE C 13 39.47535721 . . . . . . . . 644 LYS CE . 53037 1 30 . 1 . 1 9 9 LYS N N 15 125.965918 0.03523289726 . . . . . . . 644 LYS N . 53037 1 31 . 1 . 1 10 10 ILE H H 1 8.158613892 0.000962295014 . . . . . . . 645 ILE H . 53037 1 32 . 1 . 1 10 10 ILE HA H 1 4.052813631 . . . . . . . . 645 ILE HA . 53037 1 33 . 1 . 1 10 10 ILE C C 13 173.1262397 . . . . . . . . 645 ILE C . 53037 1 34 . 1 . 1 10 10 ILE CA C 13 58.14099616 0.1189716127 . . . . . . . 645 ILE CA . 53037 1 35 . 1 . 1 10 10 ILE CB C 13 35.83688251 0.03027057854 . . . . . . . 645 ILE CB . 53037 1 36 . 1 . 1 10 10 ILE CG1 C 13 24.32964947 . . . . . . . . 645 ILE CG1 . 53037 1 37 . 1 . 1 10 10 ILE CG2 C 13 14.83124733 . . . . . . . . 645 ILE CG2 . 53037 1 38 . 1 . 1 10 10 ILE CD1 C 13 9.897415859 . . . . . . . . 645 ILE CD1 . 53037 1 39 . 1 . 1 10 10 ILE N N 15 123.6849778 0.0332545197 . . . . . . . 645 ILE N . 53037 1 40 . 1 . 1 11 11 LEU H H 1 8.246755856 0.0009529856565 . . . . . . . 646 LEU H . 53037 1 41 . 1 . 1 11 11 LEU HA H 1 4.307010493 . . . . . . . . 646 LEU HA . 53037 1 42 . 1 . 1 11 11 LEU C C 13 174.0267128 . . . . . . . . 646 LEU C . 53037 1 43 . 1 . 1 11 11 LEU CA C 13 52.06961455 0.03192652345 . . . . . . . 646 LEU CA . 53037 1 44 . 1 . 1 11 11 LEU CB C 13 39.66169354 0.0211334152 . . . . . . . 646 LEU CB . 53037 1 45 . 1 . 1 11 11 LEU CG C 13 24.24071569 . . . . . . . . 646 LEU CG . 53037 1 46 . 1 . 1 11 11 LEU CD1 C 13 22.06570539 . . . . . . . . 646 LEU CD1 . 53037 1 47 . 1 . 1 11 11 LEU CD2 C 13 20.79169748 . . . . . . . . 646 LEU CD2 . 53037 1 48 . 1 . 1 11 11 LEU N N 15 126.6967671 0.04128218715 . . . . . . . 646 LEU N . 53037 1 49 . 1 . 1 12 12 GLU H H 1 8.260968348 0.0005994629932 . . . . . . . 647 GLU H . 53037 1 50 . 1 . 1 12 12 GLU HA H 1 4.511527422 . . . . . . . . 647 GLU HA . 53037 1 51 . 1 . 1 12 12 GLU CA C 13 51.44529632 . . . . . . . . 647 GLU CA . 53037 1 52 . 1 . 1 12 12 GLU CB C 13 27.01782765 . . . . . . . . 647 GLU CB . 53037 1 53 . 1 . 1 12 12 GLU N N 15 123.226608 0.01254356782 . . . . . . . 647 GLU N . 53037 1 54 . 1 . 1 13 13 PRO C C 13 174.3152208 . . . . . . . . 648 PRO C . 53037 1 55 . 1 . 1 13 13 PRO CA C 13 60.49221033 0.01955439803 . . . . . . . 648 PRO CA . 53037 1 56 . 1 . 1 13 13 PRO CB C 13 29.40686127 0.02439896372 . . . . . . . 648 PRO CB . 53037 1 57 . 1 . 1 13 13 PRO CG C 13 24.72951575 . . . . . . . . 648 PRO CG . 53037 1 58 . 1 . 1 14 14 GLU H H 1 8.484242628 0.00106887148 . . . . . . . 649 GLU H . 53037 1 59 . 1 . 1 14 14 GLU HA H 1 4.177533755 . . . . . . . . 649 GLU HA . 53037 1 60 . 1 . 1 14 14 GLU C C 13 174.0401608 . . . . . . . . 649 GLU C . 53037 1 61 . 1 . 1 14 14 GLU CA C 13 53.8919318 0.03740686343 . . . . . . . 649 GLU CA . 53037 1 62 . 1 . 1 14 14 GLU CB C 13 27.64797588 0.008162526915 . . . . . . . 649 GLU CB . 53037 1 63 . 1 . 1 14 14 GLU CG C 13 33.66072951 . . . . . . . . 649 GLU CG . 53037 1 64 . 1 . 1 14 14 GLU N N 15 121.2011259 0.03245230501 . . . . . . . 649 GLU N . 53037 1 65 . 1 . 1 15 15 GLU H H 1 8.452453575 0.0004289876432 . . . . . . . 650 GLU H . 53037 1 66 . 1 . 1 15 15 GLU HA H 1 4.183487446 . . . . . . . . 650 GLU HA . 53037 1 67 . 1 . 1 15 15 GLU C C 13 174.3858546 . . . . . . . . 650 GLU C . 53037 1 68 . 1 . 1 15 15 GLU CA C 13 54.26931209 0.0607885862 . . . . . . . 650 GLU CA . 53037 1 69 . 1 . 1 15 15 GLU CB C 13 27.61019791 0.04319271162 . . . . . . . 650 GLU CB . 53037 1 70 . 1 . 1 15 15 GLU CG C 13 33.60838119 . . . . . . . . 650 GLU CG . 53037 1 71 . 1 . 1 15 15 GLU N N 15 122.5475918 0.06023488079 . . . . . . . 650 GLU N . 53037 1 72 . 1 . 1 16 16 GLY H H 1 8.474828728 0.0007293458443 . . . . . . . 651 GLY H . 53037 1 73 . 1 . 1 16 16 GLY HA2 H 1 3.937160416 . . . . . . . . 651 GLY HA# . 53037 1 74 . 1 . 1 16 16 GLY HA3 H 1 3.937160416 . . . . . . . . 651 GLY HA# . 53037 1 75 . 1 . 1 16 16 GLY C C 13 171.5726977 . . . . . . . . 651 GLY C . 53037 1 76 . 1 . 1 16 16 GLY CA C 13 42.6684956 0.01808933955 . . . . . . . 651 GLY CA . 53037 1 77 . 1 . 1 16 16 GLY N N 15 110.7759287 0.007396006318 . . . . . . . 651 GLY N . 53037 1 78 . 1 . 1 17 17 SER H H 1 8.083572548 0.001866799722 . . . . . . . 652 SER H . 53037 1 79 . 1 . 1 17 17 SER HA H 1 4.391138476 . . . . . . . . 652 SER HA . 53037 1 80 . 1 . 1 17 17 SER C C 13 171.836963 . . . . . . . . 652 SER C . 53037 1 81 . 1 . 1 17 17 SER CA C 13 55.7937475 0.02274683218 . . . . . . . 652 SER CA . 53037 1 82 . 1 . 1 17 17 SER CB C 13 61.37421657 0.06516702846 . . . . . . . 652 SER CB . 53037 1 83 . 1 . 1 17 17 SER N N 15 115.318456 0.008731634138 . . . . . . . 652 SER N . 53037 1 84 . 1 . 1 18 18 GLU H H 1 8.526339726 0.001240507269 . . . . . . . 653 GLU H . 53037 1 85 . 1 . 1 18 18 GLU HA H 1 4.245984525 . . . . . . . . 653 GLU HA . 53037 1 86 . 1 . 1 18 18 GLU C C 13 173.707192 . . . . . . . . 653 GLU C . 53037 1 87 . 1 . 1 18 18 GLU CA C 13 53.92351095 0.01689148555 . . . . . . . 653 GLU CA . 53037 1 88 . 1 . 1 18 18 GLU CB C 13 27.44025759 0.03753276467 . . . . . . . 653 GLU CB . 53037 1 89 . 1 . 1 18 18 GLU CG C 13 33.61943945 . . . . . . . . 653 GLU CG . 53037 1 90 . 1 . 1 18 18 GLU N N 15 122.8185252 0.02442157961 . . . . . . . 653 GLU N . 53037 1 91 . 1 . 1 19 19 VAL H H 1 8.067833812 0.0009524404471 . . . . . . . 654 VAL H . 53037 1 92 . 1 . 1 19 19 VAL HA H 1 4.052847708 . . . . . . . . 654 VAL HA . 53037 1 93 . 1 . 1 19 19 VAL C C 13 173.3507676 . . . . . . . . 654 VAL C . 53037 1 94 . 1 . 1 19 19 VAL CA C 13 59.53518851 0.04413125314 . . . . . . . 654 VAL CA . 53037 1 95 . 1 . 1 19 19 VAL CB C 13 30.08324879 0.07305085888 . . . . . . . 654 VAL CB . 53037 1 96 . 1 . 1 19 19 VAL CG1 C 13 18.56291673 . . . . . . . . 654 VAL CG1 . 53037 1 97 . 1 . 1 19 19 VAL CG2 C 13 17.92205582 . . . . . . . . 654 VAL CG2 . 53037 1 98 . 1 . 1 19 19 VAL N N 15 121.0997034 0.000001907 . . . . . . . 654 VAL N . 53037 1 99 . 1 . 1 20 20 SER H H 1 8.317736514 0.002193792371 . . . . . . . 655 SER H . 53037 1 100 . 1 . 1 20 20 SER HA H 1 4.450750284 . . . . . . . . 655 SER HA . 53037 1 101 . 1 . 1 20 20 SER C C 13 171.5550148 . . . . . . . . 655 SER C . 53037 1 102 . 1 . 1 20 20 SER CA C 13 55.44399362 0.05089144752 . . . . . . . 655 SER CA . 53037 1 103 . 1 . 1 20 20 SER CB C 13 61.13119403 0.01705236479 . . . . . . . 655 SER CB . 53037 1 104 . 1 . 1 20 20 SER N N 15 120.0341975 0.1296630742 . . . . . . . 655 SER N . 53037 1 105 . 1 . 1 21 21 VAL H H 1 8.13809868 0.001201957887 . . . . . . . 656 VAL H . 53037 1 106 . 1 . 1 21 21 VAL HA H 1 4.111202336 . . . . . . . . 656 VAL HA . 53037 1 107 . 1 . 1 21 21 VAL C C 13 174.6471493 . . . . . . . . 656 VAL C . 53037 1 108 . 1 . 1 21 21 VAL CA C 13 59.41402766 0.08918109415 . . . . . . . 656 VAL CA . 53037 1 109 . 1 . 1 21 21 VAL CB C 13 30.16241784 0.01726065991 . . . . . . . 656 VAL CB . 53037 1 110 . 1 . 1 21 21 VAL CG1 C 13 18.28907141 . . . . . . . . 656 VAL CG1 . 53037 1 111 . 1 . 1 21 21 VAL CG2 C 13 17.6770112 . . . . . . . . 656 VAL CG2 . 53037 1 112 . 1 . 1 21 21 VAL N N 15 122.5503259 0.03810115838 . . . . . . . 656 VAL N . 53037 1 113 . 1 . 1 22 22 VAL H H 1 8.181713294 0.001393488698 . . . . . . . 657 VAL H . 53037 1 114 . 1 . 1 22 22 VAL HA H 1 4.090899064 . . . . . . . . 657 VAL HA . 53037 1 115 . 1 . 1 22 22 VAL C C 13 173.6930246 . . . . . . . . 657 VAL C . 53037 1 116 . 1 . 1 22 22 VAL CA C 13 59.45787473 0.05094328703 . . . . . . . 657 VAL CA . 53037 1 117 . 1 . 1 22 22 VAL CB C 13 30.14700824 0.01997637653 . . . . . . . 657 VAL CB . 53037 1 118 . 1 . 1 22 22 VAL CG1 C 13 18.54346049 . . . . . . . . 657 VAL CG1 . 53037 1 119 . 1 . 1 22 22 VAL CG2 C 13 17.73823844 . . . . . . . . 657 VAL CG2 . 53037 1 120 . 1 . 1 22 22 VAL N N 15 124.6754214 0.0000013 . . . . . . . 657 VAL N . 53037 1 121 . 1 . 1 23 23 THR H H 1 8.159687008 0.0007974354908 . . . . . . . 658 THR H . 53037 1 122 . 1 . 1 23 23 THR HA H 1 4.275692951 . . . . . . . . 658 THR HA . 53037 1 123 . 1 . 1 23 23 THR C C 13 171.735631 . . . . . . . . 658 THR C . 53037 1 124 . 1 . 1 23 23 THR CA C 13 58.75822932 0.09348802157 . . . . . . . 658 THR CA . 53037 1 125 . 1 . 1 23 23 THR CB C 13 67.33134013 0.03783783192 . . . . . . . 658 THR CB . 53037 1 126 . 1 . 1 23 23 THR CG2 C 13 18.92922313 . . . . . . . . 658 THR CG . 53037 1 127 . 1 . 1 23 23 THR N N 15 118.1100192 0.03657854907 . . . . . . . 658 THR N . 53037 1 128 . 1 . 1 24 24 VAL H H 1 8.202259438 0.0006763576023 . . . . . . . 659 VAL H . 53037 1 129 . 1 . 1 24 24 VAL HA H 1 4.0577713 . . . . . . . . 659 VAL HA . 53037 1 130 . 1 . 1 24 24 VAL C C 13 173.1180231 . . . . . . . . 659 VAL C . 53037 1 131 . 1 . 1 24 24 VAL CA C 13 59.58314493 0.01757712491 . . . . . . . 659 VAL CA . 53037 1 132 . 1 . 1 24 24 VAL CB C 13 30.16844527 0.01019660943 . . . . . . . 659 VAL CB . 53037 1 133 . 1 . 1 24 24 VAL CG1 C 13 18.53069356 . . . . . . . . 659 VAL CG1 . 53037 1 134 . 1 . 1 24 24 VAL CG2 C 13 17.65936789 . . . . . . . . 659 VAL CG2 . 53037 1 135 . 1 . 1 24 24 VAL N N 15 122.2378519 0.02477787042 . . . . . . . 659 VAL N . 53037 1 136 . 1 . 1 25 25 ASP H H 1 8.237144904 0.0009653373951 . . . . . . . 660 ASP H . 53037 1 137 . 1 . 1 25 25 ASP HA H 1 4.507631623 . . . . . . . . 660 ASP HA . 53037 1 138 . 1 . 1 25 25 ASP C C 13 173.3809717 . . . . . . . . 660 ASP C . 53037 1 139 . 1 . 1 25 25 ASP CA C 13 51.8296629 0.04268473692 . . . . . . . 660 ASP CA . 53037 1 140 . 1 . 1 25 25 ASP CB C 13 38.6200513 0.01333527315 . . . . . . . 660 ASP CB . 53037 1 141 . 1 . 1 25 25 ASP N N 15 123.7330944 0.01200858671 . . . . . . . 660 ASP N . 53037 1 142 . 1 . 1 26 26 ASP H H 1 8.16681154 0.0008418134378 . . . . . . . 661 ASP H . 53037 1 143 . 1 . 1 26 26 ASP HA H 1 4.469503218 . . . . . . . . 661 ASP HA . 53037 1 144 . 1 . 1 26 26 ASP C C 13 173.7391046 . . . . . . . . 661 ASP C . 53037 1 145 . 1 . 1 26 26 ASP CA C 13 51.94518005 0.09436807413 . . . . . . . 661 ASP CA . 53037 1 146 . 1 . 1 26 26 ASP CB C 13 38.33024546 0.007149070001 . . . . . . . 661 ASP CB . 53037 1 147 . 1 . 1 26 26 ASP N N 15 120.7718894 0.0253822865 . . . . . . . 661 ASP N . 53037 1 148 . 1 . 1 27 27 MET H H 1 8.19967921 0.0007907506579 . . . . . . . 662 MET H . 53037 1 149 . 1 . 1 27 27 MET HA H 1 4.331178443 . . . . . . . . 662 MET HA . 53037 1 150 . 1 . 1 27 27 MET C C 13 174.0054899 . . . . . . . . 662 MET C . 53037 1 151 . 1 . 1 27 27 MET CA C 13 53.36768302 0.01720131461 . . . . . . . 662 MET CA . 53037 1 152 . 1 . 1 27 27 MET CB C 13 29.87100256 0.1189889899 . . . . . . . 662 MET CB . 53037 1 153 . 1 . 1 27 27 MET CG C 13 29.3737532 . . . . . . . . 662 MET CG . 53037 1 154 . 1 . 1 27 27 MET CE C 13 16.65044057 . . . . . . . . 662 MET CE . 53037 1 155 . 1 . 1 27 27 MET N N 15 119.8631366 0.01978479898 . . . . . . . 662 MET N . 53037 1 156 . 1 . 1 28 28 VAL H H 1 8.002603206 0.0007677902024 . . . . . . . 663 VAL H . 53037 1 157 . 1 . 1 28 28 VAL HA H 1 3.994522075 . . . . . . . . 663 VAL HA . 53037 1 158 . 1 . 1 28 28 VAL C C 13 173.961282 . . . . . . . . 663 VAL C . 53037 1 159 . 1 . 1 28 28 VAL CA C 13 60.42072758 0.03707694148 . . . . . . . 663 VAL CA . 53037 1 160 . 1 . 1 28 28 VAL CB C 13 29.84500831 0.0103508063 . . . . . . . 663 VAL CB . 53037 1 161 . 1 . 1 28 28 VAL CG1 C 13 18.30603573 . . . . . . . . 663 VAL CG1 . 53037 1 162 . 1 . 1 28 28 VAL CG2 C 13 18.30603573 . . . . . . . . 663 VAL CG2 . 53037 1 163 . 1 . 1 28 28 VAL N N 15 121.2935588 0.06352916554 . . . . . . . 663 VAL N . 53037 1 164 . 1 . 1 29 29 THR H H 1 8.13152372 0.0007904135244 . . . . . . . 664 THR H . 53037 1 165 . 1 . 1 29 29 THR HA H 1 4.187339127 . . . . . . . . 664 THR HA . 53037 1 166 . 1 . 1 29 29 THR C C 13 171.9301734 . . . . . . . . 664 THR C . 53037 1 167 . 1 . 1 29 29 THR CA C 13 59.70441497 0.1093052278 . . . . . . . 664 THR CA . 53037 1 168 . 1 . 1 29 29 THR CB C 13 66.88798267 0.07664882877 . . . . . . . 664 THR CB . 53037 1 169 . 1 . 1 29 29 THR CG2 C 13 18.92723479 . . . . . . . . 664 THR CG . 53037 1 170 . 1 . 1 29 29 THR N N 15 118.5994696 0.02623582997 . . . . . . . 664 THR N . 53037 1 171 . 1 . 1 30 30 LEU H H 1 8.150447237 0.001711963038 . . . . . . . 665 LEU H . 53037 1 172 . 1 . 1 30 30 LEU HA H 1 4.250526188 . . . . . . . . 665 LEU HA . 53037 1 173 . 1 . 1 30 30 LEU C C 13 173.1843364 . . . . . . . . 665 LEU C . 53037 1 174 . 1 . 1 30 30 LEU CA C 13 52.71478127 0.02481525074 . . . . . . . 665 LEU CA . 53037 1 175 . 1 . 1 30 30 LEU CB C 13 39.66533549 0.04242805074 . . . . . . . 665 LEU CB . 53037 1 176 . 1 . 1 30 30 LEU CG C 13 24.25121654 . . . . . . . . 665 LEU CG . 53037 1 177 . 1 . 1 30 30 LEU CD1 C 13 22.21750875 . . . . . . . . 665 LEU CD1 . 53037 1 178 . 1 . 1 30 30 LEU CD2 C 13 20.79363958 . . . . . . . . 665 LEU CD2 . 53037 1 179 . 1 . 1 30 30 LEU N N 15 124.6419335 0.01002043335 . . . . . . . 665 LEU N . 53037 1 180 . 1 . 1 31 31 ALA H H 1 8.184889777 0.001557762692 . . . . . . . 666 ALA H . 53037 1 181 . 1 . 1 31 31 ALA HA H 1 4.154816001 . . . . . . . . 666 ALA HA . 53037 1 182 . 1 . 1 31 31 ALA C C 13 175.5771034 . . . . . . . . 666 ALA C . 53037 1 183 . 1 . 1 31 31 ALA CA C 13 50.18569745 0.008242540581 . . . . . . . 666 ALA CA . 53037 1 184 . 1 . 1 31 31 ALA CB C 13 16.33571122 0.02545108042 . . . . . . . 666 ALA CB . 53037 1 185 . 1 . 1 31 31 ALA N N 15 124.5093261 0.03783044277 . . . . . . . 666 ALA N . 53037 1 186 . 1 . 1 32 32 THR H H 1 7.971641865 0.001553513873 . . . . . . . 667 THR H . 53037 1 187 . 1 . 1 32 32 THR HA H 1 4.147813865 . . . . . . . . 667 THR HA . 53037 1 188 . 1 . 1 32 32 THR C C 13 172.4974113 . . . . . . . . 667 THR C . 53037 1 189 . 1 . 1 32 32 THR CA C 13 59.92397428 0.03274774645 . . . . . . . 667 THR CA . 53037 1 190 . 1 . 1 32 32 THR CB C 13 66.87472889 0.02180977813 . . . . . . . 667 THR CB . 53037 1 191 . 1 . 1 32 32 THR CG2 C 13 18.90965123 . . . . . . . . 667 THR CG . 53037 1 192 . 1 . 1 32 32 THR N N 15 113.1714112 0.04962060951 . . . . . . . 667 THR N . 53037 1 193 . 1 . 1 33 33 GLU H H 1 8.303912293 0.001732635333 . . . . . . . 668 GLU H . 53037 1 194 . 1 . 1 33 33 GLU HA H 1 4.164484711 . . . . . . . . 668 GLU HA . 53037 1 195 . 1 . 1 33 33 GLU C C 13 173.9707327 . . . . . . . . 668 GLU C . 53037 1 196 . 1 . 1 33 33 GLU CA C 13 54.42260894 0.04255019794 . . . . . . . 668 GLU CA . 53037 1 197 . 1 . 1 33 33 GLU CB C 13 27.33876961 0.02287462593 . . . . . . . 668 GLU CB . 53037 1 198 . 1 . 1 33 33 GLU CG C 13 33.63223808 . . . . . . . . 668 GLU CG . 53037 1 199 . 1 . 1 33 33 GLU N N 15 122.8836443 0.02054686001 . . . . . . . 668 GLU N . 53037 1 200 . 1 . 1 34 34 ALA H H 1 8.104731584 0.002432805625 . . . . . . . 669 ALA H . 53037 1 201 . 1 . 1 34 34 ALA HA H 1 4.201763824 . . . . . . . . 669 ALA HA . 53037 1 202 . 1 . 1 34 34 ALA C C 13 175.4047459 . . . . . . . . 669 ALA C . 53037 1 203 . 1 . 1 34 34 ALA CA C 13 50.18332643 0.002784674053 . . . . . . . 669 ALA CA . 53037 1 204 . 1 . 1 34 34 ALA CB C 13 16.19801346 0.01466250763 . . . . . . . 669 ALA CB . 53037 1 205 . 1 . 1 34 34 ALA N N 15 124.3328293 0.02038631057 . . . . . . . 669 ALA N . 53037 1 206 . 1 . 1 35 35 LEU H H 1 7.957452492 0.0008344931811 . . . . . . . 670 LEU H . 53037 1 207 . 1 . 1 35 35 LEU HA H 1 4.19047136 . . . . . . . . 670 LEU HA . 53037 1 208 . 1 . 1 35 35 LEU C C 13 174.8582578 . . . . . . . . 670 LEU C . 53037 1 209 . 1 . 1 35 35 LEU CA C 13 52.66789169 0.01773705623 . . . . . . . 670 LEU CA . 53037 1 210 . 1 . 1 35 35 LEU CB C 13 39.56411458 0.007960972737 . . . . . . . 670 LEU CB . 53037 1 211 . 1 . 1 35 35 LEU CG C 13 24.23463859 . . . . . . . . 670 LEU CG . 53037 1 212 . 1 . 1 35 35 LEU CD1 C 13 22.06726705 . . . . . . . . 670 LEU CD1 . 53037 1 213 . 1 . 1 35 35 LEU CD2 C 13 20.82762048 . . . . . . . . 670 LEU CD2 . 53037 1 214 . 1 . 1 35 35 LEU N N 15 120.8284427 0.04611859561 . . . . . . . 670 LEU N . 53037 1 215 . 1 . 1 36 36 ALA H H 1 8.044185482 0.001019609625 . . . . . . . 671 ALA H . 53037 1 216 . 1 . 1 36 36 ALA HA H 1 4.192373803 . . . . . . . . 671 ALA HA . 53037 1 217 . 1 . 1 36 36 ALA C C 13 175.1071869 . . . . . . . . 671 ALA C . 53037 1 218 . 1 . 1 36 36 ALA CA C 13 49.99304609 0.08008812284 . . . . . . . 671 ALA CA . 53037 1 219 . 1 . 1 36 36 ALA CB C 13 16.37354214 0.02246362557 . . . . . . . 671 ALA CB . 53037 1 220 . 1 . 1 36 36 ALA N N 15 124.2212238 0.0414886798 . . . . . . . 671 ALA N . 53037 1 221 . 1 . 1 37 37 ALA H H 1 8.093358298 0.0009381210015 . . . . . . . 672 ALA H . 53037 1 222 . 1 . 1 37 37 ALA HA H 1 4.27291103 . . . . . . . . 672 ALA HA . 53037 1 223 . 1 . 1 37 37 ALA C C 13 175.4491257 . . . . . . . . 672 ALA C . 53037 1 224 . 1 . 1 37 37 ALA CA C 13 50.16296103 0.02819685076 . . . . . . . 672 ALA CA . 53037 1 225 . 1 . 1 37 37 ALA CB C 13 16.39835181 0.009478981436 . . . . . . . 672 ALA CB . 53037 1 226 . 1 . 1 37 37 ALA N N 15 122.6388976 0.02537099946 . . . . . . . 672 ALA N . 53037 1 227 . 1 . 1 38 38 THR H H 1 7.88787295 0.001591037136 . . . . . . . 673 THR H . 53037 1 228 . 1 . 1 38 38 THR HA H 1 4.19469629 . . . . . . . . 673 THR HA . 53037 1 229 . 1 . 1 38 38 THR C C 13 171.6817714 . . . . . . . . 673 THR C . 53037 1 230 . 1 . 1 38 38 THR CA C 13 59.24348958 0.02700905615 . . . . . . . 673 THR CA . 53037 1 231 . 1 . 1 38 38 THR CB C 13 67.0904347 0.02182326723 . . . . . . . 673 THR CB . 53037 1 232 . 1 . 1 38 38 THR CG2 C 13 18.9197524 . . . . . . . . 673 THR CG . 53037 1 233 . 1 . 1 38 38 THR N N 15 112.3936341 0.03183287713 . . . . . . . 673 THR N . 53037 1 234 . 1 . 1 39 39 ALA H H 1 8.099804404 0.001604056152 . . . . . . . 674 ALA H . 53037 1 235 . 1 . 1 39 39 ALA C C 13 175.0467771 . . . . . . . . 674 ALA C . 53037 1 236 . 1 . 1 39 39 ALA CA C 13 49.8903217 0.01118854791 . . . . . . . 674 ALA CA . 53037 1 237 . 1 . 1 39 39 ALA CB C 13 16.52510942 0.01528685478 . . . . . . . 674 ALA CB . 53037 1 238 . 1 . 1 39 39 ALA N N 15 126.254882 0.04584063124 . . . . . . . 674 ALA N . 53037 1 239 . 1 . 1 40 40 VAL H H 1 8.013556876 0.001509764865 . . . . . . . 675 VAL H . 53037 1 240 . 1 . 1 40 40 VAL HA H 1 4.048844103 . . . . . . . . 675 VAL HA . 53037 1 241 . 1 . 1 40 40 VAL C C 13 173.8518799 . . . . . . . . 675 VAL C . 53037 1 242 . 1 . 1 40 40 VAL CA C 13 59.8492447 0.04705931864 . . . . . . . 675 VAL CA . 53037 1 243 . 1 . 1 40 40 VAL CB C 13 29.88628994 0.02598965418 . . . . . . . 675 VAL CB . 53037 1 244 . 1 . 1 40 40 VAL CG1 C 13 18.58642299 . . . . . . . . 675 VAL CG1 . 53037 1 245 . 1 . 1 40 40 VAL CG2 C 13 17.9928877 . . . . . . . . 675 VAL CG2 . 53037 1 246 . 1 . 1 40 40 VAL N N 15 119.153883 0.0331200457 . . . . . . . 675 VAL N . 53037 1 247 . 1 . 1 41 41 THR H H 1 8.086164076 0.0008150701873 . . . . . . . 676 THR H . 53037 1 248 . 1 . 1 41 41 THR HA H 1 4.234570508 . . . . . . . . 676 THR HA . 53037 1 249 . 1 . 1 41 41 THR CA C 13 59.29853545 . . . . . . . . 676 THR CA . 53037 1 250 . 1 . 1 41 41 THR CB C 13 67.07497862 . . . . . . . . 676 THR CB . 53037 1 251 . 1 . 1 41 41 THR N N 15 117.8630485 0.004769349761 . . . . . . . 676 THR N . 53037 1 252 . 1 . 1 42 42 GLN C C 13 172.8769491 . . . . . . . . 677 GLN C . 53037 1 253 . 1 . 1 42 42 GLN CA C 13 52.96911448 0.03274165216 . . . . . . . 677 GLN CA . 53037 1 254 . 1 . 1 42 42 GLN CB C 13 26.76265446 0.003004823943 . . . . . . . 677 GLN CB . 53037 1 255 . 1 . 1 42 42 GLN CG C 13 31.11480956 . . . . . . . . 677 GLN CG . 53037 1 256 . 1 . 1 43 43 LEU H H 1 8.210138654 0.001191987504 . . . . . . . 678 LEU H . 53037 1 257 . 1 . 1 43 43 LEU HA H 1 4.31289301 . . . . . . . . 678 LEU HA . 53037 1 258 . 1 . 1 43 43 LEU C C 13 174.6337261 . . . . . . . . 678 LEU C . 53037 1 259 . 1 . 1 43 43 LEU CA C 13 52.40993782 0.02556239765 . . . . . . . 678 LEU CA . 53037 1 260 . 1 . 1 43 43 LEU CB C 13 39.76439407 0.0547030576 . . . . . . . 678 LEU CB . 53037 1 261 . 1 . 1 43 43 LEU CG C 13 24.23483437 . . . . . . . . 678 LEU CG . 53037 1 262 . 1 . 1 43 43 LEU CD1 C 13 22.06328029 . . . . . . . . 678 LEU CD1 . 53037 1 263 . 1 . 1 43 43 LEU CD2 C 13 20.78880264 . . . . . . . . 678 LEU CD2 . 53037 1 264 . 1 . 1 43 43 LEU N N 15 123.6555256 0.004047500535 . . . . . . . 678 LEU N . 53037 1 265 . 1 . 1 44 44 THR H H 1 8.097114131 0.001791298313 . . . . . . . 679 THR H . 53037 1 266 . 1 . 1 44 44 THR HA H 1 4.247698994 . . . . . . . . 679 THR HA . 53037 1 267 . 1 . 1 44 44 THR C C 13 171.4236099 . . . . . . . . 679 THR C . 53037 1 268 . 1 . 1 44 44 THR CA C 13 59.25414756 0.02325424563 . . . . . . . 679 THR CA . 53037 1 269 . 1 . 1 44 44 THR CB C 13 67.06529355 0.02068229304 . . . . . . . 679 THR CB . 53037 1 270 . 1 . 1 44 44 THR CG2 C 13 18.91479095 . . . . . . . . 679 THR CG . 53037 1 271 . 1 . 1 44 44 THR N N 15 116.1213259 0.03631392907 . . . . . . . 679 THR N . 53037 1 272 . 1 . 1 45 45 VAL H H 1 8.097376109 0.001646583222 . . . . . . . 680 VAL H . 53037 1 273 . 1 . 1 45 45 VAL HA H 1 4.051237392 . . . . . . . . 680 VAL HA . 53037 1 274 . 1 . 1 45 45 VAL C C 13 173.0105114 . . . . . . . . 680 VAL C . 53037 1 275 . 1 . 1 45 45 VAL CA C 13 59.32452591 0.04997104594 . . . . . . . 680 VAL CA . 53037 1 276 . 1 . 1 45 45 VAL CB C 13 30.13814427 0.02356055696 . . . . . . . 680 VAL CB . 53037 1 277 . 1 . 1 45 45 VAL CG1 C 13 18.18106878 . . . . . . . . 680 VAL CG1 . 53037 1 278 . 1 . 1 45 45 VAL CG2 C 13 18.18106878 . . . . . . . . 680 VAL CG2 . 53037 1 279 . 1 . 1 45 45 VAL N N 15 123.6075024 0.06773994778 . . . . . . . 680 VAL N . 53037 1 280 . 1 . 1 46 46 VAL H H 1 8.190229022 0.001032678528 . . . . . . . 681 VAL H . 53037 1 281 . 1 . 1 46 46 VAL HA H 1 4.33897274 . . . . . . . . 681 VAL HA . 53037 1 282 . 1 . 1 46 46 VAL CA C 13 57.09088861 . . . . . . . . 681 VAL CA . 53037 1 283 . 1 . 1 46 46 VAL CB C 13 29.94619368 . . . . . . . . 681 VAL CB . 53037 1 284 . 1 . 1 46 46 VAL N N 15 126.4737047 0.007994058783 . . . . . . . 681 VAL N . 53037 1 285 . 1 . 1 47 47 PRO C C 13 174.0671233 . . . . . . . . 682 PRO C . 53037 1 286 . 1 . 1 47 47 PRO CA C 13 60.16136239 0.03800963744 . . . . . . . 682 PRO CA . 53037 1 287 . 1 . 1 47 47 PRO CB C 13 29.43883463 0.05134491988 . . . . . . . 682 PRO CB . 53037 1 288 . 1 . 1 47 47 PRO CG C 13 24.6600833 . . . . . . . . 682 PRO CG . 53037 1 289 . 1 . 1 47 47 PRO CD C 13 48.32937632 . . . . . . . . 682 PRO CD . 53037 1 290 . 1 . 1 48 48 VAL H H 1 8.148975967 0.000972356079 . . . . . . . 683 VAL H . 53037 1 291 . 1 . 1 48 48 VAL HA H 1 3.981022386 . . . . . . . . 683 VAL HA . 53037 1 292 . 1 . 1 48 48 VAL C C 13 174.2015744 . . . . . . . . 683 VAL C . 53037 1 293 . 1 . 1 48 48 VAL CA C 13 59.90932938 0.0251586157 . . . . . . . 683 VAL CA . 53037 1 294 . 1 . 1 48 48 VAL CB C 13 30.04350533 0.06612656016 . . . . . . . 683 VAL CB . 53037 1 295 . 1 . 1 48 48 VAL CG1 C 13 18.2137534 . . . . . . . . 683 VAL CG1 . 53037 1 296 . 1 . 1 48 48 VAL CG2 C 13 18.2137534 . . . . . . . . 683 VAL CG2 . 53037 1 297 . 1 . 1 48 48 VAL N N 15 120.6158506 0.02968176185 . . . . . . . 683 VAL N . 53037 1 298 . 1 . 1 49 49 GLY H H 1 8.401887116 0.001494022485 . . . . . . . 684 GLY H . 53037 1 299 . 1 . 1 49 49 GLY HA2 H 1 3.874243064 . . . . . . . . 684 GLY HA# . 53037 1 300 . 1 . 1 49 49 GLY HA3 H 1 3.874243064 . . . . . . . . 684 GLY HA# . 53037 1 301 . 1 . 1 49 49 GLY C C 13 171.0343128 . . . . . . . . 684 GLY C . 53037 1 302 . 1 . 1 49 49 GLY CA C 13 42.39539553 0.01634403296 . . . . . . . 684 GLY CA . 53037 1 303 . 1 . 1 49 49 GLY N N 15 112.6655977 0.07484853093 . . . . . . . 684 GLY N . 53037 1 304 . 1 . 1 50 50 ALA H H 1 8.023988994 0.001813195768 . . . . . . . 685 ALA H . 53037 1 305 . 1 . 1 50 50 ALA HA H 1 4.247611389 . . . . . . . . 685 ALA HA . 53037 1 306 . 1 . 1 50 50 ALA C C 13 174.6274677 . . . . . . . . 685 ALA C . 53037 1 307 . 1 . 1 50 50 ALA CA C 13 49.5250832 0.0401727043 . . . . . . . 685 ALA CA . 53037 1 308 . 1 . 1 50 50 ALA CB C 13 16.7260307 0.01651196973 . . . . . . . 685 ALA CB . 53037 1 309 . 1 . 1 50 50 ALA N N 15 123.7787986 0.009742254833 . . . . . . . 685 ALA N . 53037 1 310 . 1 . 1 51 51 ALA H H 1 8.193802791 0.002594551683 . . . . . . . 686 ALA H . 53037 1 311 . 1 . 1 51 51 ALA HA H 1 4.264894435 . . . . . . . . 686 ALA HA . 53037 1 312 . 1 . 1 51 51 ALA C C 13 174.9531616 . . . . . . . . 686 ALA C . 53037 1 313 . 1 . 1 51 51 ALA CA C 13 49.57957702 0.01077864841 . . . . . . . 686 ALA CA . 53037 1 314 . 1 . 1 51 51 ALA CB C 13 16.4472683 0.02036942961 . . . . . . . 686 ALA CB . 53037 1 315 . 1 . 1 51 51 ALA N N 15 123.3686683 0.009181482134 . . . . . . . 686 ALA N . 53037 1 316 . 1 . 1 52 52 VAL H H 1 8.056929877 0.001241076692 . . . . . . . 687 VAL H . 53037 1 317 . 1 . 1 52 52 VAL HA H 1 4.107887329 . . . . . . . . 687 VAL HA . 53037 1 318 . 1 . 1 52 52 VAL C C 13 173.4473477 . . . . . . . . 687 VAL C . 53037 1 319 . 1 . 1 52 52 VAL CA C 13 59.45408662 0.04718145021 . . . . . . . 687 VAL CA . 53037 1 320 . 1 . 1 52 52 VAL CB C 13 30.16892001 0.008415179565 . . . . . . . 687 VAL CB . 53037 1 321 . 1 . 1 52 52 VAL CG1 C 13 18.59364949 . . . . . . . . 687 VAL CG1 . 53037 1 322 . 1 . 1 52 52 VAL CG2 C 13 18.01887542 . . . . . . . . 687 VAL CG2 . 53037 1 323 . 1 . 1 52 52 VAL N N 15 119.5387168 0.01178863845 . . . . . . . 687 VAL N . 53037 1 324 . 1 . 1 53 53 THR H H 1 8.307709619 0.0010615494 . . . . . . . 688 THR H . 53037 1 325 . 1 . 1 53 53 THR HA H 1 4.353217467 . . . . . . . . 688 THR HA . 53037 1 326 . 1 . 1 53 53 THR C C 13 171.4560626 . . . . . . . . 688 THR C . 53037 1 327 . 1 . 1 53 53 THR CA C 13 58.71416116 0.03996197492 . . . . . . . 688 THR CA . 53037 1 328 . 1 . 1 53 53 THR CB C 13 67.25250072 0.1209053263 . . . . . . . 688 THR CB . 53037 1 329 . 1 . 1 53 53 THR CG2 C 13 18.91598944 . . . . . . . . 688 THR CG . 53037 1 330 . 1 . 1 53 53 THR N N 15 119.514698 0.01885411263 . . . . . . . 688 THR N . 53037 1 331 . 1 . 1 54 54 ALA H H 1 8.316193829 0.000986968222 . . . . . . . 689 ALA H . 53037 1 332 . 1 . 1 54 54 ALA HA H 1 4.24772507 . . . . . . . . 689 ALA HA . 53037 1 333 . 1 . 1 54 54 ALA C C 13 174.6063576 . . . . . . . . 689 ALA C . 53037 1 334 . 1 . 1 54 54 ALA CA C 13 49.87850016 0.005182638109 . . . . . . . 689 ALA CA . 53037 1 335 . 1 . 1 54 54 ALA CB C 13 16.62441304 0.04019253062 . . . . . . . 689 ALA CB . 53037 1 336 . 1 . 1 54 54 ALA N N 15 126.5525433 0.03052143192 . . . . . . . 689 ALA N . 53037 1 337 . 1 . 1 55 55 ASP H H 1 8.240271456 0.0012158016 . . . . . . . 690 ASP H . 53037 1 338 . 1 . 1 55 55 ASP HA H 1 4.499521468 . . . . . . . . 690 ASP HA . 53037 1 339 . 1 . 1 55 55 ASP C C 13 173.934467 . . . . . . . . 690 ASP C . 53037 1 340 . 1 . 1 55 55 ASP CA C 13 51.79603983 0.07126502522 . . . . . . . 690 ASP CA . 53037 1 341 . 1 . 1 55 55 ASP CB C 13 38.58559903 0.02685169897 . . . . . . . 690 ASP CB . 53037 1 342 . 1 . 1 55 55 ASP N N 15 119.8414801 0.01896203721 . . . . . . . 690 ASP N . 53037 1 343 . 1 . 1 56 56 GLU H H 1 8.407293223 0.00167434008 . . . . . . . 691 GLU H . 53037 1 344 . 1 . 1 56 56 GLU HA H 1 4.213093698 . . . . . . . . 691 GLU HA . 53037 1 345 . 1 . 1 56 56 GLU C C 13 174.3237193 . . . . . . . . 691 GLU C . 53037 1 346 . 1 . 1 56 56 GLU CA C 13 54.495554 0.03010025591 . . . . . . . 691 GLU CA . 53037 1 347 . 1 . 1 56 56 GLU CB C 13 27.36331935 0.01101646212 . . . . . . . 691 GLU CB . 53037 1 348 . 1 . 1 56 56 GLU CG C 13 33.66405623 . . . . . . . . 691 GLU CG . 53037 1 349 . 1 . 1 56 56 GLU N N 15 121.8158922 0.014308118 . . . . . . . 691 GLU N . 53037 1 350 . 1 . 1 57 57 THR H H 1 8.143531642 0.0007835941259 . . . . . . . 692 THR H . 53037 1 351 . 1 . 1 57 57 THR HA H 1 4.12838087 . . . . . . . . 692 THR HA . 53037 1 352 . 1 . 1 57 57 THR C C 13 172.3550453 . . . . . . . . 692 THR C . 53037 1 353 . 1 . 1 57 57 THR CA C 13 60.39720694 0.1146315668 . . . . . . . 692 THR CA . 53037 1 354 . 1 . 1 57 57 THR CB C 13 66.80784996 0.01599150802 . . . . . . . 692 THR CB . 53037 1 355 . 1 . 1 57 57 THR CG2 C 13 18.93849772 . . . . . . . . 692 THR CG . 53037 1 356 . 1 . 1 57 57 THR N N 15 114.6047443 0.04970116519 . . . . . . . 692 THR N . 53037 1 357 . 1 . 1 58 58 GLU H H 1 8.199343099 0.0008954130094 . . . . . . . 693 GLU H . 53037 1 358 . 1 . 1 58 58 GLU HA H 1 4.179969301 . . . . . . . . 693 GLU HA . 53037 1 359 . 1 . 1 58 58 GLU C C 13 174.275057 . . . . . . . . 693 GLU C . 53037 1 360 . 1 . 1 58 58 GLU CA C 13 54.47341454 0.02513040373 . . . . . . . 693 GLU CA . 53037 1 361 . 1 . 1 58 58 GLU CB C 13 27.3959868 0.006327465177 . . . . . . . 693 GLU CB . 53037 1 362 . 1 . 1 58 58 GLU N N 15 123.0473931 0.0286622346 . . . . . . . 693 GLU N . 53037 1 363 . 1 . 1 59 59 VAL H H 1 7.954087651 0.001279778558 . . . . . . . 694 VAL H . 53037 1 364 . 1 . 1 59 59 VAL HA H 1 3.919883393 . . . . . . . . 694 VAL HA . 53037 1 365 . 1 . 1 59 59 VAL C C 13 173.8576222 . . . . . . . . 694 VAL C . 53037 1 366 . 1 . 1 59 59 VAL CA C 13 60.54758643 0.03429196417 . . . . . . . 694 VAL CA . 53037 1 367 . 1 . 1 59 59 VAL CB C 13 29.79616716 0.05698768018 . . . . . . . 694 VAL CB . 53037 1 368 . 1 . 1 59 59 VAL CG1 C 13 18.74773834 . . . . . . . . 694 VAL CG1 . 53037 1 369 . 1 . 1 59 59 VAL CG2 C 13 18.27942692 . . . . . . . . 694 VAL CG2 . 53037 1 370 . 1 . 1 59 59 VAL N N 15 121.3773283 0.007342237174 . . . . . . . 694 VAL N . 53037 1 371 . 1 . 1 60 60 LEU H H 1 8.07867147 0.00134808166 . . . . . . . 695 LEU H . 53037 1 372 . 1 . 1 60 60 LEU HA H 1 4.255855866 . . . . . . . . 695 LEU HA . 53037 1 373 . 1 . 1 60 60 LEU C C 13 174.9335387 . . . . . . . . 695 LEU C . 53037 1 374 . 1 . 1 60 60 LEU CA C 13 52.92956849 0.05837022066 . . . . . . . 695 LEU CA . 53037 1 375 . 1 . 1 60 60 LEU CB C 13 39.35193243 0.05568401391 . . . . . . . 695 LEU CB . 53037 1 376 . 1 . 1 60 60 LEU CG C 13 24.25853179 . . . . . . . . 695 LEU CG . 53037 1 377 . 1 . 1 60 60 LEU CD1 C 13 22.05337898 . . . . . . . . 695 LEU CD1 . 53037 1 378 . 1 . 1 60 60 LEU CD2 C 13 20.81504945 . . . . . . . . 695 LEU CD2 . 53037 1 379 . 1 . 1 60 60 LEU N N 15 124.6490435 0.01476351727 . . . . . . . 695 LEU N . 53037 1 380 . 1 . 1 61 61 LYS H H 1 8.094262558 0.0009098120533 . . . . . . . 696 LYS H . 53037 1 381 . 1 . 1 61 61 LYS HA H 1 4.142731978 . . . . . . . . 696 LYS HA . 53037 1 382 . 1 . 1 61 61 LYS CA C 13 54.06368021 . . . . . . . . 696 LYS CA . 53037 1 383 . 1 . 1 61 61 LYS CB C 13 30.18333801 . . . . . . . . 696 LYS CB . 53037 1 384 . 1 . 1 61 61 LYS N N 15 121.8002068 0.008931813061 . . . . . . . 696 LYS N . 53037 1 385 . 1 . 1 62 62 ALA H H 1 8.111266507 . . . . . . . . 697 ALA H . 53037 1 386 . 1 . 1 62 62 ALA HA H 1 4.220157526 . . . . . . . . 697 ALA HA . 53037 1 387 . 1 . 1 62 62 ALA C C 13 175.3170909 . . . . . . . . 697 ALA C . 53037 1 388 . 1 . 1 62 62 ALA N N 15 124.472219 . . . . . . . . 697 ALA N . 53037 1 389 . 1 . 1 63 63 GLU H H 1 8.236149616 0.0004627459102 . . . . . . . 698 GLU H . 53037 1 390 . 1 . 1 63 63 GLU HA H 1 4.168018334 . . . . . . . . 698 GLU HA . 53037 1 391 . 1 . 1 63 63 GLU C C 13 174.3706313 . . . . . . . . 698 GLU C . 53037 1 392 . 1 . 1 63 63 GLU CA C 13 54.13483277 0.05258753175 . . . . . . . 698 GLU CA . 53037 1 393 . 1 . 1 63 63 GLU CB C 13 27.46463666 0.02739709959 . . . . . . . 698 GLU CB . 53037 1 394 . 1 . 1 63 63 GLU CG C 13 33.59755288 . . . . . . . . 698 GLU CG . 53037 1 395 . 1 . 1 63 63 GLU N N 15 119.9654755 0.04439642296 . . . . . . . 698 GLU N . 53037 1 396 . 1 . 1 64 64 ILE H H 1 8.066267719 0.000686069678 . . . . . . . 699 ILE H . 53037 1 397 . 1 . 1 64 64 ILE HA H 1 4.052755784 . . . . . . . . 699 ILE HA . 53037 1 398 . 1 . 1 64 64 ILE C C 13 173.9601977 . . . . . . . . 699 ILE C . 53037 1 399 . 1 . 1 64 64 ILE CA C 13 59.03996596 0.0731460716 . . . . . . . 699 ILE CA . 53037 1 400 . 1 . 1 64 64 ILE CB C 13 35.81944752 0.02666851834 . . . . . . . 699 ILE CB . 53037 1 401 . 1 . 1 64 64 ILE CG1 C 13 24.83953951 . . . . . . . . 699 ILE CG1 . 53037 1 402 . 1 . 1 64 64 ILE CG2 C 13 14.84233263 . . . . . . . . 699 ILE CG2 . 53037 1 403 . 1 . 1 64 64 ILE CD1 C 13 10.23603622 . . . . . . . . 699 ILE CD1 . 53037 1 404 . 1 . 1 64 64 ILE N N 15 121.5397301 0.06627788538 . . . . . . . 699 ILE N . 53037 1 405 . 1 . 1 65 65 SER H H 1 8.198362426 0.003995247465 . . . . . . . 700 SER H . 53037 1 406 . 1 . 1 65 65 SER HA H 1 4.294422298 . . . . . . . . 700 SER HA . 53037 1 407 . 1 . 1 65 65 SER CA C 13 56.03766198 . . . . . . . . 700 SER CA . 53037 1 408 . 1 . 1 65 65 SER N N 15 118.7180708 0.01234806523 . . . . . . . 700 SER N . 53037 1 409 . 1 . 1 66 66 LYS H H 1 8.133729981 . . . . . . . . 701 LYS H . 53037 1 410 . 1 . 1 66 66 LYS C C 13 173.9111915 . . . . . . . . 701 LYS C . 53037 1 411 . 1 . 1 66 66 LYS CA C 13 53.97620599 0.01546989042 . . . . . . . 701 LYS CA . 53037 1 412 . 1 . 1 66 66 LYS CB C 13 30.11959004 0.003498389426 . . . . . . . 701 LYS CB . 53037 1 413 . 1 . 1 66 66 LYS N N 15 123.2808854 . . . . . . . . 701 LYS N . 53037 1 414 . 1 . 1 67 67 ALA H H 1 8.0778676 0.0006964669376 . . . . . . . 702 ALA H . 53037 1 415 . 1 . 1 67 67 ALA HA H 1 4.200052441 . . . . . . . . 702 ALA HA . 53037 1 416 . 1 . 1 67 67 ALA C C 13 175.0377121 . . . . . . . . 702 ALA C . 53037 1 417 . 1 . 1 67 67 ALA CA C 13 49.88138482 0.01034452984 . . . . . . . 702 ALA CA . 53037 1 418 . 1 . 1 67 67 ALA CB C 13 16.410591 0.006472248251 . . . . . . . 702 ALA CB . 53037 1 419 . 1 . 1 67 67 ALA N N 15 124.4854696 0.01577010769 . . . . . . . 702 ALA N . 53037 1 420 . 1 . 1 68 68 VAL H H 1 7.966639495 0.001249187527 . . . . . . . 703 VAL H . 53037 1 421 . 1 . 1 68 68 VAL HA H 1 3.979408486 . . . . . . . . 703 VAL HA . 53037 1 422 . 1 . 1 68 68 VAL C C 13 173.4582808 . . . . . . . . 703 VAL C . 53037 1 423 . 1 . 1 68 68 VAL CA C 13 59.62714636 0.0454358699 . . . . . . . 703 VAL CA . 53037 1 424 . 1 . 1 68 68 VAL CB C 13 30.09502848 0.07464198674 . . . . . . . 703 VAL CB . 53037 1 425 . 1 . 1 68 68 VAL CG1 C 13 18.4593759 . . . . . . . . 703 VAL CG1 . 53037 1 426 . 1 . 1 68 68 VAL CG2 C 13 18.08338555 . . . . . . . . 703 VAL CG2 . 53037 1 427 . 1 . 1 68 68 VAL N N 15 119.5336811 0.008489101273 . . . . . . . 703 VAL N . 53037 1 428 . 1 . 1 69 69 LYS H H 1 8.236838914 0.00129853646 . . . . . . . 704 LYS H . 53037 1 429 . 1 . 1 69 69 LYS HA H 1 4.233257504 . . . . . . . . 704 LYS HA . 53037 1 430 . 1 . 1 69 69 LYS CA C 13 53.61992843 . . . . . . . . 704 LYS CA . 53037 1 431 . 1 . 1 69 69 LYS CB C 13 30.41031547 . . . . . . . . 704 LYS CB . 53037 1 432 . 1 . 1 69 69 LYS N N 15 125.0746638 0.05247823956 . . . . . . . 704 LYS N . 53037 1 433 . 1 . 1 70 70 GLN C C 13 173.2108094 . . . . . . . . 705 GLN C . 53037 1 434 . 1 . 1 70 70 GLN CA C 13 53.04778387 0.01992953985 . . . . . . . 705 GLN CA . 53037 1 435 . 1 . 1 70 70 GLN CB C 13 26.75889444 0.01893389053 . . . . . . . 705 GLN CB . 53037 1 436 . 1 . 1 70 70 GLN CG C 13 31.10262697 . . . . . . . . 705 GLN CG . 53037 1 437 . 1 . 1 71 71 VAL H H 1 8.139127895 0.0008980769238 . . . . . . . 706 VAL H . 53037 1 438 . 1 . 1 71 71 VAL HA H 1 3.992092786 . . . . . . . . 706 VAL HA . 53037 1 439 . 1 . 1 71 71 VAL C C 13 173.278062 . . . . . . . . 706 VAL C . 53037 1 440 . 1 . 1 71 71 VAL CA C 13 59.69903522 0.03269915431 . . . . . . . 706 VAL CA . 53037 1 441 . 1 . 1 71 71 VAL CB C 13 30.12572885 0.02977267986 . . . . . . . 706 VAL CB . 53037 1 442 . 1 . 1 71 71 VAL CG1 C 13 18.55554336 . . . . . . . . 706 VAL CG1 . 53037 1 443 . 1 . 1 71 71 VAL CG2 C 13 17.99804227 . . . . . . . . 706 VAL CG2 . 53037 1 444 . 1 . 1 71 71 VAL N N 15 121.7868163 0.02408566039 . . . . . . . 706 VAL N . 53037 1 445 . 1 . 1 72 72 GLN H H 1 8.394694726 0.0009800724878 . . . . . . . 707 GLN H . 53037 1 446 . 1 . 1 72 72 GLN HA H 1 4.282889596 . . . . . . . . 707 GLN HA . 53037 1 447 . 1 . 1 72 72 GLN C C 13 172.9991576 . . . . . . . . 707 GLN C . 53037 1 448 . 1 . 1 72 72 GLN CA C 13 53.00288481 0.01865672668 . . . . . . . 707 GLN CA . 53037 1 449 . 1 . 1 72 72 GLN CB C 13 26.77304663 0.04305488688 . . . . . . . 707 GLN CB . 53037 1 450 . 1 . 1 72 72 GLN CG C 13 31.11454079 . . . . . . . . 707 GLN CG . 53037 1 451 . 1 . 1 72 72 GLN N N 15 124.0466084 0.008591272249 . . . . . . . 707 GLN N . 53037 1 452 . 1 . 1 73 73 GLU H H 1 8.402101288 0.001160027183 . . . . . . . 708 GLU H . 53037 1 453 . 1 . 1 73 73 GLU HA H 1 4.186416099 . . . . . . . . 708 GLU HA . 53037 1 454 . 1 . 1 73 73 GLU C C 13 173.5219822 . . . . . . . . 708 GLU C . 53037 1 455 . 1 . 1 73 73 GLU CA C 13 53.9001733 0.02335771168 . . . . . . . 708 GLU CA . 53037 1 456 . 1 . 1 73 73 GLU CB C 13 27.73935527 0.02951145175 . . . . . . . 708 GLU CB . 53037 1 457 . 1 . 1 73 73 GLU CG C 13 33.62629745 . . . . . . . . 708 GLU CG . 53037 1 458 . 1 . 1 73 73 GLU N N 15 122.7741507 0.01842363557 . . . . . . . 708 GLU N . 53037 1 459 . 1 . 1 74 74 GLU H H 1 8.343483964 0.001598911682 . . . . . . . 709 GLU H . 53037 1 460 . 1 . 1 74 74 GLU HA H 1 4.175092782 . . . . . . . . 709 GLU HA . 53037 1 461 . 1 . 1 74 74 GLU C C 13 173.1034104 . . . . . . . . 709 GLU C . 53037 1 462 . 1 . 1 74 74 GLU CA C 13 53.62286164 . . . . . . . . 709 GLU CA . 53037 1 463 . 1 . 1 74 74 GLU CB C 13 27.8549683 . . . . . . . . 709 GLU CB . 53037 1 464 . 1 . 1 74 74 GLU CG C 13 33.5854359 . . . . . . . . 709 GLU CG . 53037 1 465 . 1 . 1 74 74 GLU N N 15 121.7892058 0.02692608142 . . . . . . . 709 GLU N . 53037 1 466 . 1 . 1 75 75 ASP H H 1 8.366443979 0.0006452327979 . . . . . . . 710 ASP H . 53037 1 467 . 1 . 1 75 75 ASP HA H 1 4.77198587 . . . . . . . . 710 ASP HA . 53037 1 468 . 1 . 1 75 75 ASP CA C 13 49.22404689 . . . . . . . . 710 ASP CA . 53037 1 469 . 1 . 1 75 75 ASP CB C 13 38.88344615 . . . . . . . . 710 ASP CB . 53037 1 470 . 1 . 1 75 75 ASP N N 15 123.406068 0.03337389112 . . . . . . . 710 ASP N . 53037 1 471 . 1 . 1 76 76 PRO C C 13 174.597139 . . . . . . . . 711 PRO C . 53037 1 472 . 1 . 1 76 76 PRO CA C 13 61.11560742 0.02036235273 . . . . . . . 711 PRO CA . 53037 1 473 . 1 . 1 76 76 PRO CB C 13 29.46365128 0.01965412145 . . . . . . . 711 PRO CB . 53037 1 474 . 1 . 1 76 76 PRO CG C 13 24.25834563 . . . . . . . . 711 PRO CG . 53037 1 475 . 1 . 1 76 76 PRO CD C 13 48.31032266 . . . . . . . . 711 PRO CD . 53037 1 476 . 1 . 1 77 77 ASN H H 1 8.51119582 0.001871299145 . . . . . . . 712 ASN H . 53037 1 477 . 1 . 1 77 77 ASN HA H 1 4.622552813 . . . . . . . . 712 ASN HA . 53037 1 478 . 1 . 1 77 77 ASN C C 13 173.1238589 . . . . . . . . 712 ASN C . 53037 1 479 . 1 . 1 77 77 ASN CA C 13 51.13491232 0.02825949222 . . . . . . . 712 ASN CA . 53037 1 480 . 1 . 1 77 77 ASN CB C 13 36.0142148 0.02672737278 . . . . . . . 712 ASN CB . 53037 1 481 . 1 . 1 77 77 ASN N N 15 117.1681304 0.04709182672 . . . . . . . 712 ASN N . 53037 1 482 . 1 . 1 78 78 THR H H 1 7.77436408 0.002246122509 . . . . . . . 713 THR H . 53037 1 483 . 1 . 1 78 78 THR HA H 1 4.100730178 . . . . . . . . 713 THR HA . 53037 1 484 . 1 . 1 78 78 THR CA C 13 60.1771386 . . . . . . . . 713 THR CA . 53037 1 485 . 1 . 1 78 78 THR CB C 13 66.82377112 . . . . . . . . 713 THR CB . 53037 1 486 . 1 . 1 78 78 THR N N 15 113.3516249 0.02883870072 . . . . . . . 713 THR N . 53037 1 487 . 1 . 1 79 79 HIS C C 13 172.5533386 . . . . . . . . 714 HIS C . 53037 1 488 . 1 . 1 79 79 HIS CA C 13 53.90009803 0.03364851664 . . . . . . . 714 HIS CA . 53037 1 489 . 1 . 1 79 79 HIS CB C 13 27.86982662 0.03477470853 . . . . . . . 714 HIS CB . 53037 1 490 . 1 . 1 80 80 ILE H H 1 7.73422652 0.001404930741 . . . . . . . 715 ILE H . 53037 1 491 . 1 . 1 80 80 ILE HA H 1 3.921221066 . . . . . . . . 715 ILE HA . 53037 1 492 . 1 . 1 80 80 ILE C C 13 173.0858164 . . . . . . . . 715 ILE C . 53037 1 493 . 1 . 1 80 80 ILE CA C 13 58.66238008 0.03221079218 . . . . . . . 715 ILE CA . 53037 1 494 . 1 . 1 80 80 ILE CB C 13 35.80269535 0.01909988999 . . . . . . . 715 ILE CB . 53037 1 495 . 1 . 1 80 80 ILE CG1 C 13 24.59915382 . . . . . . . . 715 ILE CG1 . 53037 1 496 . 1 . 1 80 80 ILE CG2 C 13 14.54278111 . . . . . . . . 715 ILE CG2 . 53037 1 497 . 1 . 1 80 80 ILE CD1 C 13 10.13071422 . . . . . . . . 715 ILE CD1 . 53037 1 498 . 1 . 1 80 80 ILE N N 15 121.5683665 0.0200190948 . . . . . . . 715 ILE N . 53037 1 499 . 1 . 1 81 81 LEU H H 1 8.066373611 0.0009427287764 . . . . . . . 716 LEU H . 53037 1 500 . 1 . 1 81 81 LEU HA H 1 4.178213658 . . . . . . . . 716 LEU HA . 53037 1 501 . 1 . 1 81 81 LEU C C 13 174.0976272 . . . . . . . . 716 LEU C . 53037 1 502 . 1 . 1 81 81 LEU CA C 13 52.35611361 0.02485314004 . . . . . . . 716 LEU CA . 53037 1 503 . 1 . 1 81 81 LEU CB C 13 39.58393869 0.01132606389 . . . . . . . 716 LEU CB . 53037 1 504 . 1 . 1 81 81 LEU CG C 13 24.20660234 . . . . . . . . 716 LEU CG . 53037 1 505 . 1 . 1 81 81 LEU CD1 C 13 22.04749987 . . . . . . . . 716 LEU CD1 . 53037 1 506 . 1 . 1 81 81 LEU CD2 C 13 20.77405548 . . . . . . . . 716 LEU CD2 . 53037 1 507 . 1 . 1 81 81 LEU N N 15 125.0930925 0.008906424537 . . . . . . . 716 LEU N . 53037 1 508 . 1 . 1 82 82 TYR H H 1 7.944718329 0.0009235361896 . . . . . . . 717 TYR H . 53037 1 509 . 1 . 1 82 82 TYR HA H 1 4.385102017 . . . . . . . . 717 TYR HA . 53037 1 510 . 1 . 1 82 82 TYR CA C 13 55.17917196 . . . . . . . . 717 TYR CA . 53037 1 511 . 1 . 1 82 82 TYR CB C 13 36.12694271 . . . . . . . . 717 TYR CB . 53037 1 512 . 1 . 1 82 82 TYR N N 15 120.3808478 0.01275291615 . . . . . . . 717 TYR N . 53037 1 stop_ save_