################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19629 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 19629 1 2 '3D 1H-15N TOCSY' . . . 19629 1 3 '3D HNCO' . . . 19629 1 4 '3D HNCACO' . . . 19629 1 5 '3D HNCA' . . . 19629 1 6 '3D HNCACB' . . . 19629 1 7 '3D HBHA(CO)NH' . . . 19629 1 8 '3D CBCA(CO)NH' . . . 19629 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 27 27 VAL C C 13 177.349 0.000 . 1 . . . . 468 VAL CO . 19629 1 2 . 1 1 27 27 VAL CA C 13 66.195 0.024 . 1 . . . . 468 VAL CA . 19629 1 3 . 1 1 27 27 VAL CB C 13 31.118 0.000 . 1 . . . . 468 VAL CB . 19629 1 4 . 1 1 28 28 PHE H H 1 7.993 0.000 . 1 . . . . 469 PHE HN . 19629 1 5 . 1 1 28 28 PHE HA H 1 4.146 0.000 . 1 . . . . 469 PHE HA . 19629 1 6 . 1 1 28 28 PHE C C 13 178.168 0.000 . 1 . . . . 469 PHE CO . 19629 1 7 . 1 1 28 28 PHE CA C 13 61.208 0.000 . 1 . . . . 469 PHE CA . 19629 1 8 . 1 1 28 28 PHE CB C 13 38.095 0.000 . 1 . . . . 469 PHE CB . 19629 1 9 . 1 1 28 28 PHE N N 15 119.446 0.000 . 1 . . . . 469 PHE N . 19629 1 10 . 1 1 29 29 GLY H H 1 8.177 0.001 . 1 . . . . 470 GLY HN . 19629 1 11 . 1 1 29 29 GLY C C 13 176.704 0.000 . 1 . . . . 470 GLY CO . 19629 1 12 . 1 1 29 29 GLY CA C 13 46.863 0.000 . 1 . . . . 470 GLY CA . 19629 1 13 . 1 1 29 29 GLY N N 15 107.765 0.009 . 1 . . . . 470 GLY N . 19629 1 14 . 1 1 30 30 ILE H H 1 7.721 0.003 . 1 . . . . 471 ILE HN . 19629 1 15 . 1 1 30 30 ILE CA C 13 65.973 0.000 . 1 . . . . 471 ILE CA . 19629 1 16 . 1 1 30 30 ILE N N 15 122.777 0.033 . 1 . . . . 471 ILE N . 19629 1 17 . 1 1 31 31 ILE H H 1 7.911 0.003 . 1 . . . . 472 ILE HN . 19629 1 18 . 1 1 31 31 ILE C C 13 178.600 0.000 . 1 . . . . 472 ILE CO . 19629 1 19 . 1 1 31 31 ILE CA C 13 66.098 0.000 . 1 . . . . 472 ILE CA . 19629 1 20 . 1 1 31 31 ILE N N 15 120.755 0.031 . 1 . . . . 472 ILE N . 19629 1 21 . 1 1 32 32 GLU H H 1 8.137 0.003 . 1 . . . . 473 GLU HN . 19629 1 22 . 1 1 32 32 GLU HA H 1 3.920 0.000 . 1 . . . . 473 GLU HA . 19629 1 23 . 1 1 32 32 GLU C C 13 178.922 0.000 . 1 . . . . 473 GLU CO . 19629 1 24 . 1 1 32 32 GLU CA C 13 59.513 0.025 . 1 . . . . 473 GLU CA . 19629 1 25 . 1 1 32 32 GLU CB C 13 29.683 0.000 . 1 . . . . 473 GLU CB . 19629 1 26 . 1 1 32 32 GLU N N 15 120.772 0.027 . 1 . . . . 473 GLU N . 19629 1 27 . 1 1 33 33 LYS H H 1 7.557 0.011 . 1 . . . . 474 LYS HN . 19629 1 28 . 1 1 33 33 LYS HA H 1 4.001 0.000 . 1 . . . . 474 LYS HA . 19629 1 29 . 1 1 33 33 LYS C C 13 180.683 0.000 . 1 . . . . 474 LYS CO . 19629 1 30 . 1 1 33 33 LYS CA C 13 59.377 0.059 . 1 . . . . 474 LYS CA . 19629 1 31 . 1 1 33 33 LYS CB C 13 32.580 0.000 . 1 . . . . 474 LYS CB . 19629 1 32 . 1 1 33 33 LYS N N 15 118.986 0.024 . 1 . . . . 474 LYS N . 19629 1 33 . 1 1 34 34 ILE H H 1 8.502 0.006 . 6 . . . . 475 ILE HN . 19629 1 34 . 1 1 34 34 ILE HA H 1 3.643 0.000 . 1 . . . . 475 ILE HA . 19629 1 35 . 1 1 34 34 ILE C C 13 177.384 0.000 . 1 . . . . 475 ILE CO . 19629 1 36 . 1 1 34 34 ILE CA C 13 65.706 0.000 . 1 . . . . 475 ILE CA . 19629 1 37 . 1 1 34 34 ILE CB C 13 37.393 0.000 . 1 . . . . 475 ILE CB . 19629 1 38 . 1 1 34 34 ILE N N 15 120.034 0.047 . 1 . . . . 475 ILE N . 19629 1 39 . 1 1 35 35 GLY H H 1 7.814 0.015 . 1 . . . . 476 GLY HN . 19629 1 40 . 1 1 35 35 GLY C C 13 174.562 0.000 . 1 . . . . 476 GLY CO . 19629 1 41 . 1 1 35 35 GLY CA C 13 46.180 0.000 . 1 . . . . 476 GLY CA . 19629 1 42 . 1 1 35 35 GLY N N 15 105.319 0.018 . 1 . . . . 476 GLY N . 19629 1 43 . 1 1 36 36 GLN H H 1 7.247 0.000 . 1 . . . . 477 GLN HN . 19629 1 44 . 1 1 36 36 GLN HA H 1 4.326 0.000 . 1 . . . . 477 GLN HA . 19629 1 45 . 1 1 36 36 GLN C C 13 176.312 0.000 . 1 . . . . 477 GLN CO . 19629 1 46 . 1 1 36 36 GLN CA C 13 55.389 0.016 . 1 . . . . 477 GLN CA . 19629 1 47 . 1 1 36 36 GLN CB C 13 29.430 0.000 . 1 . . . . 477 GLN CB . 19629 1 48 . 1 1 36 36 GLN N N 15 116.628 0.000 . 1 . . . . 477 GLN N . 19629 1 49 . 1 1 37 37 ALA H H 1 7.416 0.004 . 1 . . . . 478 ALA HN . 19629 1 50 . 1 1 37 37 ALA C C 13 178.325 0.000 . 1 . . . . 478 ALA CO . 19629 1 51 . 1 1 37 37 ALA CA C 13 52.907 0.056 . 1 . . . . 478 ALA CA . 19629 1 52 . 1 1 37 37 ALA CB C 13 19.250 0.000 . 1 . . . . 478 ALA CB . 19629 1 53 . 1 1 37 37 ALA N N 15 122.828 0.028 . 1 . . . . 478 ALA N . 19629 1 54 . 1 1 38 38 THR H H 1 8.395 0.000 . 1 . . . . 479 THR HN . 19629 1 55 . 1 1 38 38 THR C C 13 173.682 0.000 . 1 . . . . 479 THR CO . 19629 1 56 . 1 1 38 38 THR CA C 13 61.971 0.000 . 1 . . . . 479 THR CA . 19629 1 57 . 1 1 38 38 THR CB C 13 69.457 0.000 . 1 . . . . 479 THR CB . 19629 1 58 . 1 1 38 38 THR N N 15 110.700 0.000 . 1 . . . . 479 THR N . 19629 1 59 . 1 1 39 39 ASP H H 1 7.511 0.002 . 1 . . . . 480 ASP HN . 19629 1 60 . 1 1 39 39 ASP C C 13 175.380 0.000 . 1 . . . . 480 ASP CO . 19629 1 61 . 1 1 39 39 ASP CA C 13 52.807 0.009 . 1 . . . . 480 ASP CA . 19629 1 62 . 1 1 39 39 ASP CB C 13 43.176 0.000 . 1 . . . . 480 ASP CB . 19629 1 63 . 1 1 39 39 ASP N N 15 117.348 0.015 . 1 . . . . 480 ASP N . 19629 1 64 . 1 1 40 40 LEU H H 1 8.747 0.002 . 1 . . . . 481 LEU HN . 19629 1 65 . 1 1 40 40 LEU HA H 1 3.733 0.000 . 1 . . . . 481 LEU HA . 19629 1 66 . 1 1 40 40 LEU C C 13 177.683 0.000 . 1 . . . . 481 LEU CO . 19629 1 67 . 1 1 40 40 LEU CA C 13 57.946 0.000 . 1 . . . . 481 LEU CA . 19629 1 68 . 1 1 40 40 LEU CB C 13 41.931 0.000 . 1 . . . . 481 LEU CB . 19629 1 69 . 1 1 40 40 LEU N N 15 121.933 0.028 . 1 . . . . 481 LEU N . 19629 1 70 . 1 1 41 41 ARG H H 1 8.312 0.001 . 1 . . . . 482 ARG HN . 19629 1 71 . 1 1 41 41 ARG HA H 1 4.089 0.000 . 1 . . . . 482 ARG HA . 19629 1 72 . 1 1 41 41 ARG C C 13 179.962 0.000 . 1 . . . . 482 ARG CO . 19629 1 73 . 1 1 41 41 ARG CA C 13 60.139 0.049 . 1 . . . . 482 ARG CA . 19629 1 74 . 1 1 41 41 ARG CB C 13 29.297 0.000 . 1 . . . . 482 ARG CB . 19629 1 75 . 1 1 41 41 ARG N N 15 118.095 0.026 . 1 . . . . 482 ARG N . 19629 1 76 . 1 1 42 42 THR H H 1 8.575 0.000 . 1 . . . . 483 THR HN . 19629 1 77 . 1 1 42 42 THR C C 13 176.700 0.000 . 1 . . . . 483 THR CO . 19629 1 78 . 1 1 42 42 THR CA C 13 66.794 0.000 . 1 . . . . 483 THR CA . 19629 1 79 . 1 1 42 42 THR CB C 13 68.032 0.000 . 1 . . . . 483 THR CB . 19629 1 80 . 1 1 42 42 THR N N 15 116.999 0.000 . 1 . . . . 483 THR N . 19629 1 81 . 1 1 43 43 LEU H H 1 8.109 0.000 . 1 . . . . 484 LEU HN . 19629 1 82 . 1 1 43 43 LEU C C 13 178.454 0.000 . 1 . . . . 484 LEU CO . 19629 1 83 . 1 1 43 43 LEU CA C 13 59.984 0.000 . 1 . . . . 484 LEU CA . 19629 1 84 . 1 1 43 43 LEU CB C 13 41.843 0.000 . 1 . . . . 484 LEU CB . 19629 1 85 . 1 1 43 43 LEU N N 15 126.275 0.006 . 1 . . . . 484 LEU N . 19629 1 86 . 1 1 44 44 PHE H H 1 8.304 0.000 . 1 . . . . 485 PHE HN . 19629 1 87 . 1 1 44 44 PHE C C 13 178.915 0.000 . 1 . . . . 485 PHE CO . 19629 1 88 . 1 1 44 44 PHE CA C 13 60.442 0.000 . 1 . . . . 485 PHE CA . 19629 1 89 . 1 1 44 44 PHE N N 15 115.939 0.000 . 1 . . . . 485 PHE N . 19629 1 90 . 1 1 45 45 ARG H H 1 8.355 0.000 . 1 . . . . 486 ARG HN . 19629 1 91 . 1 1 45 45 ARG HA H 1 4.062 0.000 . 1 . . . . 486 ARG HA . 19629 1 92 . 1 1 45 45 ARG C C 13 178.261 0.000 . 1 . . . . 486 ARG CO . 19629 1 93 . 1 1 45 45 ARG CA C 13 60.412 0.000 . 1 . . . . 486 ARG CA . 19629 1 94 . 1 1 45 45 ARG CB C 13 30.416 0.000 . 1 . . . . 486 ARG CB . 19629 1 95 . 1 1 45 45 ARG N N 15 122.129 0.000 . 1 . . . . 486 ARG N . 19629 1 96 . 1 1 46 46 THR H H 1 8.703 0.003 . 1 . . . . 487 THR HN . 19629 1 97 . 1 1 46 46 THR HA H 1 3.996 0.000 . 1 . . . . 487 THR HA . 19629 1 98 . 1 1 46 46 THR C C 13 175.798 0.000 . 1 . . . . 487 THR CO . 19629 1 99 . 1 1 46 46 THR CA C 13 66.669 0.000 . 1 . . . . 487 THR CA . 19629 1 100 . 1 1 46 46 THR CB C 13 68.898 0.000 . 1 . . . . 487 THR CB . 19629 1 101 . 1 1 46 46 THR N N 15 116.360 0.009 . 1 . . . . 487 THR N . 19629 1 102 . 1 1 47 47 ALA H H 1 8.517 0.001 . 1 . . . . 488 ALA HN . 19629 1 103 . 1 1 47 47 ALA HA H 1 3.760 0.000 . 1 . . . . 488 ALA HA . 19629 1 104 . 1 1 47 47 ALA C C 13 178.915 0.000 . 1 . . . . 488 ALA CO . 19629 1 105 . 1 1 47 47 ALA CA C 13 56.360 0.000 . 1 . . . . 488 ALA CA . 19629 1 106 . 1 1 47 47 ALA CB C 13 18.136 0.000 . 1 . . . . 488 ALA CB . 19629 1 107 . 1 1 47 47 ALA N N 15 121.043 0.022 . 1 . . . . 488 ALA N . 19629 1 108 . 1 1 48 48 THR H H 1 7.854 0.006 . 1 . . . . 489 THR HN . 19629 1 109 . 1 1 48 48 THR CA C 13 65.674 0.000 . 1 . . . . 489 THR CA . 19629 1 110 . 1 1 48 48 THR N N 15 104.211 0.023 . 1 . . . . 489 THR N . 19629 1 111 . 1 1 51 51 ARG C C 13 178.008 0.000 . 1 . . . . 492 ARG CO . 19629 1 112 . 1 1 51 51 ARG CA C 13 57.989 0.000 . 1 . . . . 492 ARG CA . 19629 1 113 . 1 1 52 52 ARG H H 1 8.193 0.001 . 1 . . . . 493 ARG HN . 19629 1 114 . 1 1 52 52 ARG HA H 1 4.050 0.000 . 1 . . . . 493 ARG HA . 19629 1 115 . 1 1 52 52 ARG C C 13 178.971 0.000 . 1 . . . . 493 ARG CO . 19629 1 116 . 1 1 52 52 ARG CA C 13 60.713 0.000 . 1 . . . . 493 ARG CA . 19629 1 117 . 1 1 52 52 ARG N N 15 120.329 0.015 . 1 . . . . 493 ARG N . 19629 1 118 . 1 1 53 53 ARG H H 1 7.553 0.001 . 1 . . . . 494 ARG HN . 19629 1 119 . 1 1 53 53 ARG C C 13 178.642 0.000 . 1 . . . . 494 ARG CO . 19629 1 120 . 1 1 53 53 ARG CA C 13 58.868 0.000 . 1 . . . . 494 ARG CA . 19629 1 121 . 1 1 53 53 ARG CB C 13 30.186 0.000 . 1 . . . . 494 ARG CB . 19629 1 122 . 1 1 53 53 ARG N N 15 116.744 0.027 . 1 . . . . 494 ARG N . 19629 1 123 . 1 1 54 54 PHE H H 1 8.301 0.000 . 1 . . . . 495 PHE HN . 19629 1 124 . 1 1 54 54 PHE HA H 1 4.293 0.000 . 1 . . . . 495 PHE HA . 19629 1 125 . 1 1 54 54 PHE C C 13 176.897 0.000 . 1 . . . . 495 PHE CO . 19629 1 126 . 1 1 54 54 PHE CA C 13 61.136 0.000 . 1 . . . . 495 PHE CA . 19629 1 127 . 1 1 54 54 PHE CB C 13 40.570 0.000 . 1 . . . . 495 PHE CB . 19629 1 128 . 1 1 54 54 PHE N N 15 120.366 0.000 . 1 . . . . 495 PHE N . 19629 1 129 . 1 1 55 55 LEU H H 1 8.511 0.000 . 1 . . . . 496 LEU HN . 19629 1 130 . 1 1 55 55 LEU C C 13 176.820 0.000 . 1 . . . . 496 LEU CO . 19629 1 131 . 1 1 55 55 LEU CA C 13 55.002 0.000 . 1 . . . . 496 LEU CA . 19629 1 132 . 1 1 55 55 LEU N N 15 114.695 0.000 . 1 . . . . 496 LEU N . 19629 1 133 . 1 1 56 56 LYS H H 1 8.053 0.000 . 1 . . . . 497 LYS HN . 19629 1 134 . 1 1 56 56 LYS C C 13 176.517 0.000 . 1 . . . . 497 LYS CO . 19629 1 135 . 1 1 56 56 LYS CA C 13 57.066 0.000 . 1 . . . . 497 LYS CA . 19629 1 136 . 1 1 56 56 LYS CB C 13 29.478 0.000 . 1 . . . . 497 LYS CB . 19629 1 137 . 1 1 56 56 LYS N N 15 118.604 0.000 . 1 . . . . 497 LYS N . 19629 1 138 . 1 1 57 57 CYS H H 1 7.547 0.000 . 1 . . . . 498 CYS HN . 19629 1 139 . 1 1 57 57 CYS HA H 1 5.945 0.000 . 1 . . . . 498 CYS HA . 19629 1 140 . 1 1 57 57 CYS C C 13 173.420 0.000 . 1 . . . . 498 CYS CO . 19629 1 141 . 1 1 57 57 CYS CA C 13 55.199 0.105 . 1 . . . . 498 CYS CA . 19629 1 142 . 1 1 57 57 CYS CB C 13 30.071 0.000 . 1 . . . . 498 CYS CB . 19629 1 143 . 1 1 57 57 CYS N N 15 113.331 0.000 . 1 . . . . 498 CYS N . 19629 1 144 . 1 1 58 58 ASP H H 1 7.703 0.001 . 1 . . . . 499 ASP HN . 19629 1 145 . 1 1 58 58 ASP C C 13 175.360 0.000 . 1 . . . . 499 ASP CO . 19629 1 146 . 1 1 58 58 ASP CA C 13 57.427 0.000 . 1 . . . . 499 ASP CA . 19629 1 147 . 1 1 58 58 ASP N N 15 116.748 0.020 . 1 . . . . 499 ASP N . 19629 1 148 . 1 1 59 59 ARG H H 1 8.019 0.000 . 1 . . . . 500 ARG HN . 19629 1 149 . 1 1 59 59 ARG HA H 1 5.462 0.000 . 1 . . . . 500 ARG HA . 19629 1 150 . 1 1 59 59 ARG C C 13 174.486 0.000 . 1 . . . . 500 ARG CO . 19629 1 151 . 1 1 59 59 ARG CA C 13 55.378 0.000 . 1 . . . . 500 ARG CA . 19629 1 152 . 1 1 59 59 ARG N N 15 119.136 0.000 . 1 . . . . 500 ARG N . 19629 1 153 . 1 1 60 60 VAL H H 1 9.439 0.000 . 1 . . . . 501 VAL HN . 19629 1 154 . 1 1 60 60 VAL C C 13 175.435 0.000 . 1 . . . . 501 VAL CO . 19629 1 155 . 1 1 60 60 VAL CA C 13 61.588 0.000 . 1 . . . . 501 VAL CA . 19629 1 156 . 1 1 60 60 VAL N N 15 128.658 0.012 . 1 . . . . 501 VAL N . 19629 1 157 . 1 1 61 61 VAL H H 1 9.567 0.001 . 1 . . . . 502 VAL HN . 19629 1 158 . 1 1 61 61 VAL C C 13 174.266 0.000 . 1 . . . . 502 VAL CO . 19629 1 159 . 1 1 61 61 VAL CA C 13 58.924 0.000 . 1 . . . . 502 VAL CA . 19629 1 160 . 1 1 61 61 VAL N N 15 120.265 0.021 . 1 . . . . 502 VAL N . 19629 1 161 . 1 1 62 62 VAL H H 1 8.178 0.003 . 1 . . . . 503 VAL HN . 19629 1 162 . 1 1 62 62 VAL HA H 1 4.837 0.000 . 1 . . . . 503 VAL HA . 19629 1 163 . 1 1 62 62 VAL C C 13 173.712 0.000 . 1 . . . . 503 VAL CO . 19629 1 164 . 1 1 62 62 VAL CA C 13 61.821 0.000 . 1 . . . . 503 VAL CA . 19629 1 165 . 1 1 62 62 VAL N N 15 119.032 0.000 . 1 . . . . 503 VAL N . 19629 1 166 . 1 1 63 63 TYR H H 1 9.190 0.004 . 1 . . . . 504 TYR HN . 19629 1 167 . 1 1 63 63 TYR C C 13 172.615 0.000 . 1 . . . . 504 TYR CO . 19629 1 168 . 1 1 63 63 TYR CA C 13 56.067 0.000 . 1 . . . . 504 TYR CA . 19629 1 169 . 1 1 63 63 TYR N N 15 132.000 0.012 . 1 . . . . 504 TYR N . 19629 1 170 . 1 1 64 64 GLN H H 1 8.264 0.004 . 1 . . . . 505 GLN HN . 19629 1 171 . 1 1 64 64 GLN C C 13 173.865 0.000 . 1 . . . . 505 GLN CO . 19629 1 172 . 1 1 64 64 GLN CA C 13 54.149 0.000 . 1 . . . . 505 GLN CA . 19629 1 173 . 1 1 64 64 GLN N N 15 128.545 0.004 . 1 . . . . 505 GLN N . 19629 1 174 . 1 1 65 65 PHE H H 1 7.695 0.000 . 1 . . . . 506 PHE HN . 19629 1 175 . 1 1 65 65 PHE CA C 13 57.911 0.000 . 1 . . . . 506 PHE CA . 19629 1 176 . 1 1 65 65 PHE N N 15 120.618 0.103 . 1 . . . . 506 PHE N . 19629 1 177 . 1 1 71 71 GLY C C 13 171.492 0.000 . 1 . . . . 512 GLY CO . 19629 1 178 . 1 1 71 71 GLY CA C 13 47.972 0.000 . 1 . . . . 512 GLY CA . 19629 1 179 . 1 1 72 72 GLU H H 1 7.009 0.000 . 1 . . . . 513 GLU HN . 19629 1 180 . 1 1 72 72 GLU C C 13 173.751 0.000 . 1 . . . . 513 GLU CO . 19629 1 181 . 1 1 72 72 GLU CA C 13 54.900 0.000 . 1 . . . . 513 GLU CA . 19629 1 182 . 1 1 72 72 GLU N N 15 111.706 0.000 . 1 . . . . 513 GLU N . 19629 1 183 . 1 1 74 74 ILE H H 1 8.356 0.003 . 1 . . . . 515 ILE HN . 19629 1 184 . 1 1 74 74 ILE HA H 1 4.470 0.000 . 1 . . . . 515 ILE HA . 19629 1 185 . 1 1 74 74 ILE C C 13 175.200 0.000 . 1 . . . . 515 ILE CO . 19629 1 186 . 1 1 74 74 ILE CA C 13 60.206 0.000 . 1 . . . . 515 ILE CA . 19629 1 187 . 1 1 74 74 ILE CB C 13 39.485 0.000 . 1 . . . . 515 ILE CB . 19629 1 188 . 1 1 74 74 ILE N N 15 122.977 0.015 . 1 . . . . 515 ILE N . 19629 1 189 . 1 1 75 75 ALA H H 1 7.452 0.005 . 1 . . . . 516 ALA HN . 19629 1 190 . 1 1 75 75 ALA HA H 1 4.624 0.000 . 1 . . . . 516 ALA HA . 19629 1 191 . 1 1 75 75 ALA C C 13 174.460 0.000 . 1 . . . . 516 ALA CO . 19629 1 192 . 1 1 75 75 ALA CA C 13 51.692 0.156 . 1 . . . . 516 ALA CA . 19629 1 193 . 1 1 75 75 ALA CB C 13 23.435 0.000 . 1 . . . . 516 ALA CB . 19629 1 194 . 1 1 75 75 ALA N N 15 120.752 0.019 . 1 . . . . 516 ALA N . 19629 1 195 . 1 1 76 76 GLU H H 1 8.927 0.000 . 1 . . . . 517 GLU HN . 19629 1 196 . 1 1 76 76 GLU HA H 1 5.325 0.000 . 1 . . . . 517 GLU HA . 19629 1 197 . 1 1 76 76 GLU C C 13 174.029 0.000 . 1 . . . . 517 GLU CO . 19629 1 198 . 1 1 76 76 GLU CA C 13 55.023 0.000 . 1 . . . . 517 GLU CA . 19629 1 199 . 1 1 76 76 GLU CB C 13 35.137 0.000 . 1 . . . . 517 GLU CB . 19629 1 200 . 1 1 76 76 GLU N N 15 122.503 0.015 . 1 . . . . 517 GLU N . 19629 1 201 . 1 1 77 77 SER H H 1 8.968 0.003 . 1 . . . . 518 SER HN . 19629 1 202 . 1 1 77 77 SER HA H 1 4.955 0.000 . 1 . . . . 518 SER HA . 19629 1 203 . 1 1 77 77 SER C C 13 173.389 0.000 . 1 . . . . 518 SER CO . 19629 1 204 . 1 1 77 77 SER CA C 13 56.796 0.000 . 1 . . . . 518 SER CA . 19629 1 205 . 1 1 77 77 SER CB C 13 64.620 0.000 . 1 . . . . 518 SER CB . 19629 1 206 . 1 1 77 77 SER N N 15 119.643 0.007 . 1 . . . . 518 SER N . 19629 1 207 . 1 1 78 78 VAL H H 1 9.202 0.003 . 1 . . . . 519 VAL HN . 19629 1 208 . 1 1 78 78 VAL HA H 1 5.293 0.000 . 1 . . . . 519 VAL HA . 19629 1 209 . 1 1 78 78 VAL C C 13 173.666 0.000 . 1 . . . . 519 VAL CO . 19629 1 210 . 1 1 78 78 VAL CA C 13 59.091 0.000 . 1 . . . . 519 VAL CA . 19629 1 211 . 1 1 78 78 VAL CB C 13 35.444 0.000 . 1 . . . . 519 VAL CB . 19629 1 212 . 1 1 78 78 VAL N N 15 128.629 0.020 . 1 . . . . 519 VAL N . 19629 1 213 . 1 1 79 79 GLY H H 1 8.606 0.002 . 1 . . . . 520 GLY HN . 19629 1 214 . 1 1 79 79 GLY C C 13 173.138 0.000 . 1 . . . . 520 GLY CO . 19629 1 215 . 1 1 79 79 GLY CA C 13 44.855 0.000 . 1 . . . . 520 GLY CA . 19629 1 216 . 1 1 79 79 GLY N N 15 112.746 0.020 . 1 . . . . 520 GLY N . 19629 1 217 . 1 1 80 80 ALA H H 1 8.415 0.004 . 1 . . . . 521 ALA HN . 19629 1 218 . 1 1 80 80 ALA C C 13 178.767 0.000 . 1 . . . . 521 ALA CO . 19629 1 219 . 1 1 80 80 ALA CA C 13 53.566 0.000 . 1 . . . . 521 ALA CA . 19629 1 220 . 1 1 80 80 ALA CB C 13 18.670 0.000 . 1 . . . . 521 ALA CB . 19629 1 221 . 1 1 80 80 ALA N N 15 122.387 0.019 . 1 . . . . 521 ALA N . 19629 1 222 . 1 1 81 81 GLY H H 1 8.526 0.000 . 1 . . . . 522 GLY HN . 19629 1 223 . 1 1 81 81 GLY HA2 H 1 3.536 0.000 . 2 . . . . 522 GLY HA2 . 19629 1 224 . 1 1 81 81 GLY HA3 H 1 3.536 0.000 . 2 . . . . 522 GLY HA3 . 19629 1 225 . 1 1 81 81 GLY C C 13 173.711 0.000 . 1 . . . . 522 GLY CO . 19629 1 226 . 1 1 81 81 GLY CA C 13 44.991 0.000 . 1 . . . . 522 GLY CA . 19629 1 227 . 1 1 81 81 GLY N N 15 108.666 0.000 . 1 . . . . 522 GLY N . 19629 1 228 . 1 1 82 82 TRP H H 1 6.809 0.002 . 1 . . . . 523 TRP HN . 19629 1 229 . 1 1 82 82 TRP HA H 1 5.195 0.000 . 1 . . . . 523 TRP HA . 19629 1 230 . 1 1 82 82 TRP C C 13 176.076 0.000 . 1 . . . . 523 TRP CO . 19629 1 231 . 1 1 82 82 TRP CA C 13 54.222 0.039 . 1 . . . . 523 TRP CA . 19629 1 232 . 1 1 82 82 TRP CB C 13 31.288 0.000 . 1 . . . . 523 TRP CB . 19629 1 233 . 1 1 82 82 TRP N N 15 118.540 0.015 . 1 . . . . 523 TRP N . 19629 1 234 . 1 1 83 83 SER H H 1 9.644 0.004 . 1 . . . . 524 SER HN . 19629 1 235 . 1 1 83 83 SER CA C 13 58.935 0.000 . 1 . . . . 524 SER CA . 19629 1 236 . 1 1 83 83 SER N N 15 118.845 0.024 . 1 . . . . 524 SER N . 19629 1 237 . 1 1 113 113 PRO C C 13 176.635 0.000 . 1 . . . . 554 PRO CO . 19629 1 238 . 1 1 113 113 PRO CA C 13 63.099 0.025 . 1 . . . . 554 PRO CA . 19629 1 239 . 1 1 113 113 PRO CB C 13 31.954 0.010 . 1 . . . . 554 PRO CB . 19629 1 240 . 1 1 114 114 VAL H H 1 8.072 0.000 . 1 . . . . 555 VAL HN . 19629 1 241 . 1 1 114 114 VAL HA H 1 4.052 0.000 . 1 . . . . 555 VAL HA . 19629 1 242 . 1 1 114 114 VAL C C 13 175.887 0.000 . 1 . . . . 555 VAL CO . 19629 1 243 . 1 1 114 114 VAL CA C 13 62.214 0.020 . 1 . . . . 555 VAL CA . 19629 1 244 . 1 1 114 114 VAL CB C 13 32.919 0.000 . 1 . . . . 555 VAL CB . 19629 1 245 . 1 1 114 114 VAL N N 15 119.520 0.000 . 1 . . . . 555 VAL N . 19629 1 246 . 1 1 115 115 LYS H H 1 8.314 0.000 . 1 . . . . 556 LYS HN . 19629 1 247 . 1 1 115 115 LYS HA H 1 4.310 0.000 . 1 . . . . 556 LYS HA . 19629 1 248 . 1 1 115 115 LYS C C 13 176.125 0.000 . 1 . . . . 556 LYS CO . 19629 1 249 . 1 1 115 115 LYS CA C 13 56.264 0.019 . 1 . . . . 556 LYS CA . 19629 1 250 . 1 1 115 115 LYS CB C 13 33.101 0.000 . 1 . . . . 556 LYS CB . 19629 1 251 . 1 1 115 115 LYS N N 15 125.330 0.022 . 1 . . . . 556 LYS N . 19629 1 252 . 1 1 116 116 ALA H H 1 8.372 0.001 . 1 . . . . 557 ALA HN . 19629 1 253 . 1 1 116 116 ALA HA H 1 4.281 0.000 . 1 . . . . 557 ALA HA . 19629 1 254 . 1 1 116 116 ALA C C 13 177.290 0.000 . 1 . . . . 557 ALA CO . 19629 1 255 . 1 1 116 116 ALA CA C 13 52.688 0.001 . 1 . . . . 557 ALA CA . 19629 1 256 . 1 1 116 116 ALA CB C 13 19.501 0.000 . 1 . . . . 557 ALA CB . 19629 1 257 . 1 1 116 116 ALA N N 15 125.725 0.003 . 1 . . . . 557 ALA N . 19629 1 258 . 1 1 117 117 ASP H H 1 8.246 0.000 . 1 . . . . 558 ASP HN . 19629 1 259 . 1 1 117 117 ASP HA H 1 4.582 0.000 . 1 . . . . 558 ASP HA . 19629 1 260 . 1 1 117 117 ASP C C 13 176.207 0.000 . 1 . . . . 558 ASP CO . 19629 1 261 . 1 1 117 117 ASP CA C 13 54.206 0.014 . 1 . . . . 558 ASP CA . 19629 1 262 . 1 1 117 117 ASP CB C 13 41.197 0.000 . 1 . . . . 558 ASP CB . 19629 1 263 . 1 1 117 117 ASP N N 15 119.091 0.000 . 1 . . . . 558 ASP N . 19629 1 264 . 1 1 118 118 ALA H H 1 8.166 0.000 . 1 . . . . 559 ALA HN . 19629 1 265 . 1 1 118 118 ALA HA H 1 4.264 0.000 . 1 . . . . 559 ALA HA . 19629 1 266 . 1 1 118 118 ALA C C 13 177.928 0.000 . 1 . . . . 559 ALA CO . 19629 1 267 . 1 1 118 118 ALA CA C 13 53.345 0.020 . 1 . . . . 559 ALA CA . 19629 1 268 . 1 1 118 118 ALA CB C 13 19.465 0.000 . 1 . . . . 559 ALA CB . 19629 1 269 . 1 1 118 118 ALA N N 15 123.330 0.000 . 1 . . . . 559 ALA N . 19629 1 270 . 1 1 119 119 ASP H H 1 8.311 0.001 . 1 . . . . 560 ASP HN . 19629 1 271 . 1 1 119 119 ASP HA H 1 4.622 0.000 . 1 . . . . 560 ASP HA . 19629 1 272 . 1 1 119 119 ASP C C 13 176.966 0.000 . 1 . . . . 560 ASP CO . 19629 1 273 . 1 1 119 119 ASP CA C 13 55.061 0.045 . 1 . . . . 560 ASP CA . 19629 1 274 . 1 1 119 119 ASP CB C 13 41.135 0.000 . 1 . . . . 560 ASP CB . 19629 1 275 . 1 1 119 119 ASP N N 15 118.400 0.031 . 1 . . . . 560 ASP N . 19629 1 276 . 1 1 120 120 THR H H 1 7.923 0.000 . 1 . . . . 561 THR HN . 19629 1 277 . 1 1 120 120 THR HA H 1 4.166 0.000 . 1 . . . . 561 THR HA . 19629 1 278 . 1 1 120 120 THR C C 13 174.763 0.000 . 1 . . . . 561 THR CO . 19629 1 279 . 1 1 120 120 THR CA C 13 63.234 0.015 . 1 . . . . 561 THR CA . 19629 1 280 . 1 1 120 120 THR CB C 13 69.380 0.000 . 1 . . . . 561 THR CB . 19629 1 281 . 1 1 120 120 THR N N 15 113.944 0.023 . 1 . . . . 561 THR N . 19629 1 282 . 1 1 121 121 TYR H H 1 8.052 0.000 . 1 . . . . 562 TYR HN . 19629 1 283 . 1 1 121 121 TYR HA H 1 4.496 0.000 . 1 . . . . 562 TYR HA . 19629 1 284 . 1 1 121 121 TYR C C 13 176.087 0.000 . 1 . . . . 562 TYR CO . 19629 1 285 . 1 1 121 121 TYR CA C 13 58.793 0.018 . 1 . . . . 562 TYR CA . 19629 1 286 . 1 1 121 121 TYR CB C 13 38.407 0.000 . 1 . . . . 562 TYR CB . 19629 1 287 . 1 1 121 121 TYR N N 15 121.765 0.000 . 1 . . . . 562 TYR N . 19629 1 288 . 1 1 122 122 LEU H H 1 7.976 0.000 . 1 . . . . 563 LEU HN . 19629 1 289 . 1 1 122 122 LEU HA H 1 4.221 0.000 . 1 . . . . 563 LEU HA . 19629 1 290 . 1 1 122 122 LEU C C 13 177.383 0.000 . 1 . . . . 563 LEU CO . 19629 1 291 . 1 1 122 122 LEU CA C 13 55.615 0.033 . 1 . . . . 563 LEU CA . 19629 1 292 . 1 1 122 122 LEU CB C 13 42.147 0.000 . 1 . . . . 563 LEU CB . 19629 1 293 . 1 1 122 122 LEU N N 15 122.412 0.000 . 1 . . . . 563 LEU N . 19629 1 294 . 1 1 123 123 LYS H H 1 8.032 0.000 . 1 . . . . 564 LYS HN . 19629 1 295 . 1 1 123 123 LYS HA H 1 4.230 0.000 . 1 . . . . 564 LYS HA . 19629 1 296 . 1 1 123 123 LYS C C 13 177.108 0.000 . 1 . . . . 564 LYS CO . 19629 1 297 . 1 1 123 123 LYS CA C 13 57.025 0.049 . 1 . . . . 564 LYS CA . 19629 1 298 . 1 1 123 123 LYS CB C 13 32.948 0.000 . 1 . . . . 564 LYS CB . 19629 1 299 . 1 1 123 123 LYS N N 15 120.972 0.028 . 1 . . . . 564 LYS N . 19629 1 300 . 1 1 124 124 GLU H H 1 8.355 0.000 . 1 . . . . 565 GLU HN . 19629 1 301 . 1 1 124 124 GLU HA H 1 4.299 0.000 . 1 . . . . 565 GLU HA . 19629 1 302 . 1 1 124 124 GLU C C 13 177.048 0.000 . 1 . . . . 565 GLU CO . 19629 1 303 . 1 1 124 124 GLU CA C 13 57.088 0.045 . 1 . . . . 565 GLU CA . 19629 1 304 . 1 1 124 124 GLU CB C 13 30.266 0.000 . 1 . . . . 565 GLU CB . 19629 1 305 . 1 1 124 124 GLU N N 15 120.550 0.000 . 1 . . . . 565 GLU N . 19629 1 306 . 1 1 125 125 THR H H 1 8.040 0.002 . 1 . . . . 566 THR HN . 19629 1 307 . 1 1 125 125 THR C C 13 174.921 0.000 . 1 . . . . 566 THR CO . 19629 1 308 . 1 1 125 125 THR CA C 13 62.187 0.020 . 1 . . . . 566 THR CA . 19629 1 309 . 1 1 125 125 THR CB C 13 69.741 0.000 . 1 . . . . 566 THR CB . 19629 1 310 . 1 1 125 125 THR N N 15 113.619 0.024 . 1 . . . . 566 THR N . 19629 1 311 . 1 1 126 126 GLN H H 1 8.339 0.000 . 1 . . . . 567 GLN HN . 19629 1 312 . 1 1 126 126 GLN HA H 1 4.350 0.000 . 1 . . . . 567 GLN HA . 19629 1 313 . 1 1 126 126 GLN C C 13 176.523 0.000 . 1 . . . . 567 GLN CO . 19629 1 314 . 1 1 126 126 GLN CA C 13 56.378 0.072 . 1 . . . . 567 GLN CA . 19629 1 315 . 1 1 126 126 GLN CB C 13 29.277 0.000 . 1 . . . . 567 GLN CB . 19629 1 316 . 1 1 126 126 GLN N N 15 122.094 0.000 . 1 . . . . 567 GLN N . 19629 1 317 . 1 1 127 127 GLY H H 1 8.402 0.000 . 1 . . . . 568 GLY HN . 19629 1 318 . 1 1 127 127 GLY HA2 H 1 3.968 0.000 . 2 . . . . 568 GLY HA . 19629 1 319 . 1 1 127 127 GLY HA3 H 1 3.968 0.000 . 2 . . . . 568 GLY HA . 19629 1 320 . 1 1 127 127 GLY C C 13 174.722 0.000 . 1 . . . . 568 GLY CO . 19629 1 321 . 1 1 127 127 GLY CA C 13 45.594 0.002 . 1 . . . . 568 GLY CA . 19629 1 322 . 1 1 127 127 GLY N N 15 109.400 0.000 . 1 . . . . 568 GLY N . 19629 1 323 . 1 1 128 128 GLY H H 1 8.232 0.000 . 1 . . . . 569 GLY HN . 19629 1 324 . 1 1 128 128 GLY HA2 H 1 3.930 0.000 . 2 . . . . 569 GLY HA2 . 19629 1 325 . 1 1 128 128 GLY HA3 H 1 3.930 0.000 . 2 . . . . 569 GLY HA3 . 19629 1 326 . 1 1 128 128 GLY C C 13 174.508 0.000 . 1 . . . . 569 GLY CO . 19629 1 327 . 1 1 128 128 GLY CA C 13 45.526 0.013 . 1 . . . . 569 GLY CA . 19629 1 328 . 1 1 128 128 GLY N N 15 108.519 0.029 . 1 . . . . 569 GLY N . 19629 1 329 . 1 1 129 129 MET H H 1 8.200 0.000 . 1 . . . . 570 MET HN . 19629 1 330 . 1 1 129 129 MET C C 13 176.025 0.000 . 1 . . . . 570 MET CO . 19629 1 331 . 1 1 129 129 MET CA C 13 56.157 0.000 . 1 . . . . 570 MET CA . 19629 1 332 . 1 1 129 129 MET CB C 13 32.695 0.000 . 1 . . . . 570 MET CB . 19629 1 333 . 1 1 129 129 MET N N 15 119.664 0.000 . 1 . . . . 570 MET N . 19629 1 334 . 1 1 130 130 TYR H H 1 8.128 0.000 . 1 . . . . 571 TYR HN . 19629 1 335 . 1 1 130 130 TYR HA H 1 4.584 0.000 . 1 . . . . 571 TYR HA . 19629 1 336 . 1 1 130 130 TYR C C 13 175.703 0.000 . 1 . . . . 571 TYR CO . 19629 1 337 . 1 1 130 130 TYR CA C 13 57.826 0.009 . 1 . . . . 571 TYR CA . 19629 1 338 . 1 1 130 130 TYR CB C 13 38.636 0.000 . 1 . . . . 571 TYR CB . 19629 1 339 . 1 1 130 130 TYR N N 15 119.839 0.000 . 1 . . . . 571 TYR N . 19629 1 340 . 1 1 131 131 ALA H H 1 8.050 0.000 . 1 . . . . 572 ALA HN . 19629 1 341 . 1 1 131 131 ALA C C 13 177.557 0.000 . 1 . . . . 572 ALA CO . 19629 1 342 . 1 1 131 131 ALA CA C 13 52.665 0.005 . 1 . . . . 572 ALA CA . 19629 1 343 . 1 1 131 131 ALA CB C 13 19.499 0.000 . 1 . . . . 572 ALA CB . 19629 1 344 . 1 1 131 131 ALA N N 15 124.666 0.022 . 1 . . . . 572 ALA N . 19629 1 345 . 1 1 132 132 LYS H H 1 8.146 0.000 . 1 . . . . 573 LYS HN . 19629 1 346 . 1 1 132 132 LYS HA H 1 4.275 0.000 . 1 . . . . 573 LYS HA . 19629 1 347 . 1 1 132 132 LYS C C 13 177.077 0.000 . 1 . . . . 573 LYS CO . 19629 1 348 . 1 1 132 132 LYS CA C 13 56.651 0.004 . 1 . . . . 573 LYS CA . 19629 1 349 . 1 1 132 132 LYS CB C 13 32.909 0.000 . 1 . . . . 573 LYS CB . 19629 1 350 . 1 1 132 132 LYS N N 15 119.901 0.000 . 1 . . . . 573 LYS N . 19629 1 351 . 1 1 133 133 GLY H H 1 8.311 0.000 . 1 . . . . 574 GLY HN . 19629 1 352 . 1 1 133 133 GLY HA2 H 1 3.989 0.000 . 2 . . . . 574 GLY HA2 . 19629 1 353 . 1 1 133 133 GLY HA3 H 1 3.989 0.000 . 2 . . . . 574 GLY HA3 . 19629 1 354 . 1 1 133 133 GLY C C 13 174.301 0.000 . 1 . . . . 574 GLY CO . 19629 1 355 . 1 1 133 133 GLY CA C 13 45.418 0.030 . 1 . . . . 574 GLY CA . 19629 1 356 . 1 1 133 133 GLY N N 15 108.972 0.000 . 1 . . . . 574 GLY N . 19629 1 357 . 1 1 134 134 THR H H 1 8.033 0.000 . 1 . . . . 575 THR HN . 19629 1 358 . 1 1 134 134 THR C C 13 175.194 0.000 . 1 . . . . 575 THR CO . 19629 1 359 . 1 1 134 134 THR CA C 13 62.121 0.000 . 1 . . . . 575 THR CA . 19629 1 360 . 1 1 134 134 THR N N 15 113.282 0.000 . 1 . . . . 575 THR N . 19629 1 361 . 1 1 137 137 ARG HA H 1 4.917 0.000 . 1 . . . . 578 ARG HA . 19629 1 362 . 1 1 137 137 ARG C C 13 174.258 0.000 . 1 . . . . 578 ARG CO . 19629 1 363 . 1 1 137 137 ARG CA C 13 53.210 0.000 . 1 . . . . 578 ARG CA . 19629 1 364 . 1 1 138 138 LYS H H 1 9.030 0.003 . 1 . . . . 579 LYS HN . 19629 1 365 . 1 1 138 138 LYS C C 13 174.222 0.000 . 1 . . . . 579 LYS CO . 19629 1 366 . 1 1 138 138 LYS CA C 13 55.381 0.000 . 1 . . . . 579 LYS CA . 19629 1 367 . 1 1 138 138 LYS CB C 13 35.173 0.000 . 1 . . . . 579 LYS CB . 19629 1 368 . 1 1 138 138 LYS N N 15 126.011 0.027 . 1 . . . . 579 LYS N . 19629 1 369 . 1 1 139 139 VAL H H 1 9.361 0.007 . 1 . . . . 580 VAL HN . 19629 1 370 . 1 1 139 139 VAL HA H 1 4.245 0.000 . 1 . . . . 580 VAL HA . 19629 1 371 . 1 1 139 139 VAL C C 13 175.173 0.000 . 1 . . . . 580 VAL CO . 19629 1 372 . 1 1 139 139 VAL CA C 13 61.700 0.000 . 1 . . . . 580 VAL CA . 19629 1 373 . 1 1 139 139 VAL N N 15 128.262 0.026 . 1 . . . . 580 VAL N . 19629 1 374 . 1 1 140 140 ASN H H 1 9.023 0.002 . 1 . . . . 581 ASN HN . 19629 1 375 . 1 1 140 140 ASN HA H 1 5.318 0.000 . 1 . . . . 581 ASN HA . 19629 1 376 . 1 1 140 140 ASN C C 13 174.679 0.000 . 1 . . . . 581 ASN CO . 19629 1 377 . 1 1 140 140 ASN CA C 13 54.506 0.000 . 1 . . . . 581 ASN CA . 19629 1 378 . 1 1 140 140 ASN CB C 13 38.882 0.000 . 1 . . . . 581 ASN CB . 19629 1 379 . 1 1 140 140 ASN N N 15 128.799 0.018 . 1 . . . . 581 ASN N . 19629 1 380 . 1 1 141 141 ASP H H 1 7.059 0.000 . 1 . . . . 582 ASP HN . 19629 1 381 . 1 1 141 141 ASP C C 13 178.315 0.000 . 1 . . . . 582 ASP CO . 19629 1 382 . 1 1 141 141 ASP CA C 13 52.741 0.000 . 1 . . . . 582 ASP CA . 19629 1 383 . 1 1 141 141 ASP N N 15 113.345 0.000 . 1 . . . . 582 ASP N . 19629 1 384 . 1 1 142 142 ILE H H 1 8.689 0.005 . 1 . . . . 583 ILE HN . 19629 1 385 . 1 1 142 142 ILE HA H 1 3.617 0.000 . 1 . . . . 583 ILE HA . 19629 1 386 . 1 1 142 142 ILE C C 13 176.088 0.000 . 1 . . . . 583 ILE CO . 19629 1 387 . 1 1 142 142 ILE CA C 13 65.068 0.000 . 1 . . . . 583 ILE CA . 19629 1 388 . 1 1 142 142 ILE CB C 13 38.762 0.000 . 1 . . . . 583 ILE CB . 19629 1 389 . 1 1 142 142 ILE N N 15 126.003 0.037 . 1 . . . . 583 ILE N . 19629 1 390 . 1 1 143 143 SER H H 1 8.500 0.000 . 1 . . . . 584 SER HN . 19629 1 391 . 1 1 143 143 SER HA H 1 4.221 0.000 . 1 . . . . 584 SER HA . 19629 1 392 . 1 1 143 143 SER C C 13 174.820 0.000 . 1 . . . . 584 SER CO . 19629 1 393 . 1 1 143 143 SER CA C 13 60.868 0.016 . 1 . . . . 584 SER CA . 19629 1 394 . 1 1 143 143 SER CB C 13 63.488 0.000 . 1 . . . . 584 SER CB . 19629 1 395 . 1 1 143 143 SER N N 15 116.461 0.000 . 1 . . . . 584 SER N . 19629 1 396 . 1 1 144 144 ALA H H 1 7.209 0.002 . 1 . . . . 585 ALA HN . 19629 1 397 . 1 1 144 144 ALA HA H 1 4.593 0.000 . 1 . . . . 585 ALA HA . 19629 1 398 . 1 1 144 144 ALA C C 13 177.366 0.000 . 1 . . . . 585 ALA CO . 19629 1 399 . 1 1 144 144 ALA CA C 13 51.143 0.000 . 1 . . . . 585 ALA CA . 19629 1 400 . 1 1 144 144 ALA CB C 13 20.016 0.000 . 1 . . . . 585 ALA CB . 19629 1 401 . 1 1 144 144 ALA N N 15 124.161 0.024 . 1 . . . . 585 ALA N . 19629 1 402 . 1 1 145 145 ALA H H 1 7.046 0.000 . 1 . . . . 586 ALA HN . 19629 1 403 . 1 1 145 145 ALA HA H 1 3.971 0.000 . 1 . . . . 586 ALA HA . 19629 1 404 . 1 1 145 145 ALA C C 13 177.031 0.000 . 1 . . . . 586 ALA CO . 19629 1 405 . 1 1 145 145 ALA CA C 13 53.157 0.056 . 1 . . . . 586 ALA CA . 19629 1 406 . 1 1 145 145 ALA CB C 13 19.161 0.000 . 1 . . . . 586 ALA CB . 19629 1 407 . 1 1 145 145 ALA N N 15 121.095 0.020 . 1 . . . . 586 ALA N . 19629 1 408 . 1 1 146 146 GLY H H 1 8.130 0.000 . 1 . . . . 587 GLY HN . 19629 1 409 . 1 1 146 146 GLY C C 13 175.786 0.000 . 1 . . . . 587 GLY CO . 19629 1 410 . 1 1 146 146 GLY CA C 13 46.053 0.000 . 1 . . . . 587 GLY CA . 19629 1 411 . 1 1 146 146 GLY N N 15 107.876 0.032 . 1 . . . . 587 GLY N . 19629 1 412 . 1 1 147 147 PHE H H 1 8.381 0.003 . 1 . . . . 588 PHE HN . 19629 1 413 . 1 1 147 147 PHE C C 13 176.320 0.000 . 1 . . . . 588 PHE CO . 19629 1 414 . 1 1 147 147 PHE CA C 13 55.428 0.000 . 1 . . . . 588 PHE CA . 19629 1 415 . 1 1 147 147 PHE N N 15 119.739 0.025 . 1 . . . . 588 PHE N . 19629 1 416 . 1 1 158 158 PHE C C 13 175.776 0.000 . 1 . . . . 599 PHE CO . 19629 1 417 . 1 1 158 158 PHE CA C 13 56.175 0.000 . 1 . . . . 599 PHE CA . 19629 1 418 . 1 1 159 159 GLN H H 1 7.979 0.003 . 1 . . . . 600 GLN HN . 19629 1 419 . 1 1 159 159 GLN HA H 1 3.858 0.000 . 1 . . . . 600 GLN HA . 19629 1 420 . 1 1 159 159 GLN C C 13 173.586 0.000 . 1 . . . . 600 GLN CO . 19629 1 421 . 1 1 159 159 GLN CA C 13 57.211 0.000 . 1 . . . . 600 GLN CA . 19629 1 422 . 1 1 159 159 GLN N N 15 115.233 0.018 . 1 . . . . 600 GLN N . 19629 1 423 . 1 1 160 160 ALA H H 1 7.308 0.001 . 1 . . . . 601 ALA HN . 19629 1 424 . 1 1 160 160 ALA HA H 1 4.427 0.000 . 1 . . . . 601 ALA HA . 19629 1 425 . 1 1 160 160 ALA C C 13 177.491 0.000 . 1 . . . . 601 ALA CO . 19629 1 426 . 1 1 160 160 ALA CA C 13 52.514 0.000 . 1 . . . . 601 ALA CA . 19629 1 427 . 1 1 160 160 ALA CB C 13 21.689 0.000 . 1 . . . . 601 ALA CB . 19629 1 428 . 1 1 160 160 ALA N N 15 117.788 0.022 . 1 . . . . 601 ALA N . 19629 1 429 . 1 1 161 161 LYS H H 1 9.460 0.003 . 1 . . . . 602 LYS HN . 19629 1 430 . 1 1 161 161 LYS C C 13 176.088 0.000 . 1 . . . . 602 LYS CO . 19629 1 431 . 1 1 161 161 LYS CA C 13 56.714 0.000 . 1 . . . . 602 LYS CA . 19629 1 432 . 1 1 161 161 LYS N N 15 116.473 0.015 . 1 . . . . 602 LYS N . 19629 1 433 . 1 1 162 162 ALA H H 1 8.471 0.001 . 1 . . . . 603 ALA HN . 19629 1 434 . 1 1 162 162 ALA HA H 1 4.748 0.000 . 1 . . . . 603 ALA HA . 19629 1 435 . 1 1 162 162 ALA C C 13 177.023 0.000 . 1 . . . . 603 ALA CO . 19629 1 436 . 1 1 162 162 ALA CA C 13 52.615 0.000 . 1 . . . . 603 ALA CA . 19629 1 437 . 1 1 162 162 ALA CB C 13 24.400 0.000 . 1 . . . . 603 ALA CB . 19629 1 438 . 1 1 162 162 ALA N N 15 122.290 0.014 . 1 . . . . 603 ALA N . 19629 1 439 . 1 1 163 163 TYR H H 1 9.718 0.001 . 1 . . . . 604 TYR HN . 19629 1 440 . 1 1 163 163 TYR C C 13 173.485 0.000 . 1 . . . . 604 TYR CO . 19629 1 441 . 1 1 163 163 TYR CA C 13 56.948 0.000 . 1 . . . . 604 TYR CA . 19629 1 442 . 1 1 163 163 TYR N N 15 116.990 0.017 . 1 . . . . 604 TYR N . 19629 1 443 . 1 1 164 164 ILE H H 1 8.476 0.000 . 1 . . . . 605 ILE HN . 19629 1 444 . 1 1 164 164 ILE HA H 1 4.885 0.000 . 1 . . . . 605 ILE HA . 19629 1 445 . 1 1 164 164 ILE C C 13 173.807 0.000 . 1 . . . . 605 ILE CO . 19629 1 446 . 1 1 164 164 ILE CA C 13 60.833 0.000 . 1 . . . . 605 ILE CA . 19629 1 447 . 1 1 164 164 ILE CB C 13 40.966 0.000 . 1 . . . . 605 ILE CB . 19629 1 448 . 1 1 164 164 ILE N N 15 116.685 0.000 . 1 . . . . 605 ILE N . 19629 1 449 . 1 1 165 165 ILE H H 1 9.004 0.000 . 1 . . . . 606 ILE HN . 19629 1 450 . 1 1 165 165 ILE HA H 1 4.884 0.000 . 1 . . . . 606 ILE HA . 19629 1 451 . 1 1 165 165 ILE C C 13 174.919 0.000 . 1 . . . . 606 ILE CO . 19629 1 452 . 1 1 165 165 ILE CA C 13 60.476 0.000 . 1 . . . . 606 ILE CA . 19629 1 453 . 1 1 165 165 ILE CB C 13 42.824 0.000 . 1 . . . . 606 ILE CB . 19629 1 454 . 1 1 165 165 ILE N N 15 124.647 0.013 . 1 . . . . 606 ILE N . 19629 1 455 . 1 1 166 166 VAL H H 1 9.083 0.003 . 1 . . . . 607 VAL HN . 19629 1 456 . 1 1 166 166 VAL C C 13 172.584 0.000 . 1 . . . . 607 VAL CO . 19629 1 457 . 1 1 166 166 VAL CA C 13 57.196 0.000 . 1 . . . . 607 VAL CA . 19629 1 458 . 1 1 166 166 VAL N N 15 122.107 0.001 . 1 . . . . 607 VAL N . 19629 1 459 . 1 1 168 168 VAL HA H 1 4.306 0.000 . 1 . . . . 609 VAL HA . 19629 1 460 . 1 1 168 168 VAL C C 13 175.061 0.000 . 1 . . . . 609 VAL CO . 19629 1 461 . 1 1 168 168 VAL CA C 13 61.138 0.026 . 1 . . . . 609 VAL CA . 19629 1 462 . 1 1 168 168 VAL CB C 13 34.222 0.000 . 1 . . . . 609 VAL CB . 19629 1 463 . 1 1 169 169 PHE H H 1 8.911 0.005 . 1 . . . . 610 PHE HN . 19629 1 464 . 1 1 169 169 PHE C C 13 174.490 0.000 . 1 . . . . 610 PHE CO . 19629 1 465 . 1 1 169 169 PHE CA C 13 57.781 0.036 . 1 . . . . 610 PHE CA . 19629 1 466 . 1 1 169 169 PHE N N 15 126.546 0.034 . 1 . . . . 610 PHE N . 19629 1 467 . 1 1 170 170 ARG H H 1 9.183 0.003 . 1 . . . . 611 ARG HN . 19629 1 468 . 1 1 170 170 ARG C C 13 175.607 0.000 . 1 . . . . 611 ARG CO . 19629 1 469 . 1 1 170 170 ARG CA C 13 56.042 0.000 . 1 . . . . 611 ARG CA . 19629 1 470 . 1 1 170 170 ARG N N 15 119.006 0.034 . 1 . . . . 611 ARG N . 19629 1 471 . 1 1 171 171 ALA H H 1 9.570 0.000 . 1 . . . . 612 ALA HN . 19629 1 472 . 1 1 171 171 ALA HA H 1 3.946 0.000 . 1 . . . . 612 ALA HA . 19629 1 473 . 1 1 171 171 ALA C C 13 176.689 0.000 . 1 . . . . 612 ALA CO . 19629 1 474 . 1 1 171 171 ALA CA C 13 53.280 0.000 . 1 . . . . 612 ALA CA . 19629 1 475 . 1 1 171 171 ALA CB C 13 17.430 0.000 . 1 . . . . 612 ALA CB . 19629 1 476 . 1 1 171 171 ALA N N 15 103.722 0.000 . 1 . . . . 612 ALA N . 19629 1 477 . 1 1 172 172 GLY H H 1 8.603 0.001 . 1 . . . . 613 GLY HN . 19629 1 478 . 1 1 172 172 GLY C C 13 173.519 0.000 . 1 . . . . 613 GLY CO . 19629 1 479 . 1 1 172 172 GLY CA C 13 45.489 0.000 . 1 . . . . 613 GLY CA . 19629 1 480 . 1 1 172 172 GLY N N 15 104.311 0.019 . 1 . . . . 613 GLY N . 19629 1 481 . 1 1 173 173 ASN H H 1 8.062 0.000 . 1 . . . . 614 ASN HN . 19629 1 482 . 1 1 173 173 ASN C C 13 175.150 0.000 . 1 . . . . 614 ASN CO . 19629 1 483 . 1 1 173 173 ASN CA C 13 52.036 0.021 . 1 . . . . 614 ASN CA . 19629 1 484 . 1 1 173 173 ASN CB C 13 41.171 0.000 . 1 . . . . 614 ASN CB . 19629 1 485 . 1 1 173 173 ASN N N 15 118.113 0.000 . 1 . . . . 614 ASN N . 19629 1 486 . 1 1 174 174 LEU H H 1 9.090 0.004 . 1 . . . . 615 LEU HN . 19629 1 487 . 1 1 174 174 LEU C C 13 174.095 0.000 . 1 . . . . 615 LEU CO . 19629 1 488 . 1 1 174 174 LEU CA C 13 57.002 0.000 . 1 . . . . 615 LEU CA . 19629 1 489 . 1 1 174 174 LEU N N 15 125.541 0.005 . 1 . . . . 615 LEU N . 19629 1 490 . 1 1 175 175 TRP H H 1 9.243 0.002 . 1 . . . . 616 TRP HN . 19629 1 491 . 1 1 175 175 TRP HA H 1 4.685 0.000 . 1 . . . . 616 TRP HA . 19629 1 492 . 1 1 175 175 TRP C C 13 175.926 0.000 . 1 . . . . 616 TRP CO . 19629 1 493 . 1 1 175 175 TRP CA C 13 59.257 0.000 . 1 . . . . 616 TRP CA . 19629 1 494 . 1 1 175 175 TRP N N 15 129.802 0.010 . 1 . . . . 616 TRP N . 19629 1 495 . 1 1 176 176 GLY H H 1 8.320 0.009 . 1 . . . . 617 GLY HN . 19629 1 496 . 1 1 176 176 GLY C C 13 170.926 0.000 . 1 . . . . 617 GLY CO . 19629 1 497 . 1 1 176 176 GLY CA C 13 47.223 0.000 . 1 . . . . 617 GLY CA . 19629 1 498 . 1 1 176 176 GLY N N 15 104.851 0.067 . 1 . . . . 617 GLY N . 19629 1 499 . 1 1 177 177 LEU H H 1 9.334 0.001 . 1 . . . . 618 LEU HN . 19629 1 500 . 1 1 177 177 LEU HA H 1 5.081 0.000 . 1 . . . . 618 LEU HA . 19629 1 501 . 1 1 177 177 LEU C C 13 174.192 0.000 . 1 . . . . 618 LEU CO . 19629 1 502 . 1 1 177 177 LEU CA C 13 53.432 0.000 . 1 . . . . 618 LEU CA . 19629 1 503 . 1 1 177 177 LEU N N 15 116.704 0.024 . 1 . . . . 618 LEU N . 19629 1 504 . 1 1 178 178 LEU H H 1 8.891 0.000 . 1 . . . . 619 LEU HN . 19629 1 505 . 1 1 178 178 LEU HA H 1 5.036 0.000 . 1 . . . . 619 LEU HA . 19629 1 506 . 1 1 178 178 LEU C C 13 173.408 0.000 . 1 . . . . 619 LEU CO . 19629 1 507 . 1 1 178 178 LEU CA C 13 53.834 0.000 . 1 . . . . 619 LEU CA . 19629 1 508 . 1 1 178 178 LEU CB C 13 44.285 0.000 . 1 . . . . 619 LEU CB . 19629 1 509 . 1 1 178 178 LEU N N 15 124.172 0.016 . 1 . . . . 619 LEU N . 19629 1 510 . 1 1 179 179 ALA H H 1 8.764 0.002 . 1 . . . . 620 ALA HN . 19629 1 511 . 1 1 179 179 ALA C C 13 173.510 0.000 . 1 . . . . 620 ALA CO . 19629 1 512 . 1 1 179 179 ALA CA C 13 50.479 0.000 . 1 . . . . 620 ALA CA . 19629 1 513 . 1 1 179 179 ALA CB C 13 25.773 0.000 . 1 . . . . 620 ALA CB . 19629 1 514 . 1 1 179 179 ALA N N 15 128.899 0.020 . 1 . . . . 620 ALA N . 19629 1 515 . 1 1 180 180 ALA H H 1 8.707 0.000 . 1 . . . . 621 ALA HN . 19629 1 516 . 1 1 180 180 ALA HA H 1 5.322 0.000 . 1 . . . . 621 ALA HA . 19629 1 517 . 1 1 180 180 ALA C C 13 174.919 0.000 . 1 . . . . 621 ALA CO . 19629 1 518 . 1 1 180 180 ALA CA C 13 50.068 0.000 . 1 . . . . 621 ALA CA . 19629 1 519 . 1 1 180 180 ALA CB C 13 22.977 0.000 . 1 . . . . 621 ALA CB . 19629 1 520 . 1 1 180 180 ALA N N 15 124.730 0.041 . 1 . . . . 621 ALA N . 19629 1 521 . 1 1 181 181 TYR H H 1 9.343 0.001 . 1 . . . . 622 TYR HN . 19629 1 522 . 1 1 181 181 TYR HA H 1 5.854 0.000 . 1 . . . . 622 TYR HA . 19629 1 523 . 1 1 181 181 TYR C C 13 176.462 0.000 . 1 . . . . 622 TYR CO . 19629 1 524 . 1 1 181 181 TYR CA C 13 56.674 0.000 . 1 . . . . 622 TYR CA . 19629 1 525 . 1 1 181 181 TYR N N 15 115.182 0.017 . 1 . . . . 622 TYR N . 19629 1 526 . 1 1 182 182 GLN H H 1 9.234 0.010 . 1 . . . . 623 GLN HN . 19629 1 527 . 1 1 182 182 GLN HA H 1 4.877 0.000 . 1 . . . . 623 GLN HA . 19629 1 528 . 1 1 182 182 GLN C C 13 173.671 0.000 . 1 . . . . 623 GLN CO . 19629 1 529 . 1 1 182 182 GLN CA C 13 55.858 0.000 . 1 . . . . 623 GLN CA . 19629 1 530 . 1 1 182 182 GLN N N 15 125.485 0.016 . 1 . . . . 623 GLN N . 19629 1 531 . 1 1 183 183 ASN H H 1 11.334 0.000 . 1 . . . . 624 ASN HN . 19629 1 532 . 1 1 183 183 ASN C C 13 175.845 0.000 . 1 . . . . 624 ASN CO . 19629 1 533 . 1 1 183 183 ASN CA C 13 52.872 0.000 . 1 . . . . 624 ASN CA . 19629 1 534 . 1 1 183 183 ASN N N 15 128.867 0.000 . 1 . . . . 624 ASN N . 19629 1 535 . 1 1 184 184 SER H H 1 8.224 0.000 . 1 . . . . 625 SER HN . 19629 1 536 . 1 1 184 184 SER C C 13 175.800 0.000 . 1 . . . . 625 SER CO . 19629 1 537 . 1 1 184 184 SER CA C 13 60.487 0.000 . 1 . . . . 625 SER CA . 19629 1 538 . 1 1 184 184 SER CB C 13 63.335 0.000 . 1 . . . . 625 SER CB . 19629 1 539 . 1 1 184 184 SER N N 15 113.928 0.000 . 1 . . . . 625 SER N . 19629 1 540 . 1 1 185 185 GLU H H 1 7.247 0.000 . 1 . . . . 626 GLU HN . 19629 1 541 . 1 1 185 185 GLU HA H 1 4.526 0.000 . 1 . . . . 626 GLU HA . 19629 1 542 . 1 1 185 185 GLU C C 13 173.626 0.000 . 1 . . . . 626 GLU CO . 19629 1 543 . 1 1 185 185 GLU CA C 13 54.712 0.009 . 1 . . . . 626 GLU CA . 19629 1 544 . 1 1 185 185 GLU CB C 13 32.624 0.000 . 1 . . . . 626 GLU CB . 19629 1 545 . 1 1 185 185 GLU N N 15 116.640 0.000 . 1 . . . . 626 GLU N . 19629 1 546 . 1 1 186 186 VAL H H 1 7.621 0.003 . 1 . . . . 627 VAL HN . 19629 1 547 . 1 1 186 186 VAL C C 13 174.471 0.000 . 1 . . . . 627 VAL CO . 19629 1 548 . 1 1 186 186 VAL CA C 13 62.640 0.000 . 1 . . . . 627 VAL CA . 19629 1 549 . 1 1 186 186 VAL N N 15 110.662 0.011 . 1 . . . . 627 VAL N . 19629 1 550 . 1 1 187 187 ARG H H 1 7.688 0.002 . 1 . . . . 628 ARG HN . 19629 1 551 . 1 1 187 187 ARG C C 13 171.933 0.000 . 1 . . . . 628 ARG CO . 19629 1 552 . 1 1 187 187 ARG CA C 13 55.604 0.000 . 1 . . . . 628 ARG CA . 19629 1 553 . 1 1 187 187 ARG N N 15 120.695 0.023 . 1 . . . . 628 ARG N . 19629 1 554 . 1 1 188 188 GLN H H 1 8.217 0.000 . 1 . . . . 629 GLN HN . 19629 1 555 . 1 1 188 188 GLN HA H 1 4.322 0.000 . 1 . . . . 629 GLN HA . 19629 1 556 . 1 1 188 188 GLN C C 13 175.985 0.000 . 1 . . . . 629 GLN CO . 19629 1 557 . 1 1 188 188 GLN CA C 13 53.108 0.000 . 1 . . . . 629 GLN CA . 19629 1 558 . 1 1 188 188 GLN CB C 13 26.446 0.000 . 1 . . . . 629 GLN CB . 19629 1 559 . 1 1 188 188 GLN N N 15 123.338 0.000 . 1 . . . . 629 GLN N . 19629 1 560 . 1 1 189 189 TRP H H 1 7.353 0.001 . 1 . . . . 630 TRP HN . 19629 1 561 . 1 1 189 189 TRP HA H 1 4.920 0.000 . 1 . . . . 630 TRP HA . 19629 1 562 . 1 1 189 189 TRP C C 13 177.561 0.000 . 1 . . . . 630 TRP CO . 19629 1 563 . 1 1 189 189 TRP CA C 13 56.688 0.039 . 1 . . . . 630 TRP CA . 19629 1 564 . 1 1 189 189 TRP CB C 13 30.873 0.000 . 1 . . . . 630 TRP CB . 19629 1 565 . 1 1 189 189 TRP N N 15 127.800 0.024 . 1 . . . . 630 TRP N . 19629 1 566 . 1 1 190 190 THR H H 1 9.792 0.001 . 1 . . . . 631 THR HN . 19629 1 567 . 1 1 190 190 THR HA H 1 4.878 0.000 . 1 . . . . 631 THR HA . 19629 1 568 . 1 1 190 190 THR C C 13 176.014 0.000 . 1 . . . . 631 THR CO . 19629 1 569 . 1 1 190 190 THR CA C 13 60.282 0.000 . 1 . . . . 631 THR CA . 19629 1 570 . 1 1 190 190 THR N N 15 116.305 0.022 . 1 . . . . 631 THR N . 19629 1 571 . 1 1 191 191 GLU H H 1 9.046 0.003 . 1 . . . . 632 GLU HN . 19629 1 572 . 1 1 191 191 GLU HA H 1 3.985 0.000 . 1 . . . . 632 GLU HA . 19629 1 573 . 1 1 191 191 GLU C C 13 179.772 0.000 . 1 . . . . 632 GLU CO . 19629 1 574 . 1 1 191 191 GLU CA C 13 59.745 0.000 . 1 . . . . 632 GLU CA . 19629 1 575 . 1 1 191 191 GLU CB C 13 29.253 0.000 . 1 . . . . 632 GLU CB . 19629 1 576 . 1 1 191 191 GLU N N 15 120.741 0.000 . 1 . . . . 632 GLU N . 19629 1 577 . 1 1 192 192 GLU H H 1 8.642 0.006 . 1 . . . . 633 GLU HN . 19629 1 578 . 1 1 192 192 GLU HA H 1 4.143 0.000 . 1 . . . . 633 GLU HA . 19629 1 579 . 1 1 192 192 GLU C C 13 179.741 0.000 . 1 . . . . 633 GLU CO . 19629 1 580 . 1 1 192 192 GLU CA C 13 59.747 0.000 . 1 . . . . 633 GLU CA . 19629 1 581 . 1 1 192 192 GLU CB C 13 29.170 0.000 . 1 . . . . 633 GLU CB . 19629 1 582 . 1 1 192 192 GLU N N 15 120.227 0.022 . 1 . . . . 633 GLU N . 19629 1 583 . 1 1 193 193 GLU H H 1 7.855 0.000 . 1 . . . . 634 GLU HN . 19629 1 584 . 1 1 193 193 GLU HA H 1 3.883 0.000 . 1 . . . . 634 GLU HA . 19629 1 585 . 1 1 193 193 GLU C C 13 177.565 0.000 . 1 . . . . 634 GLU CO . 19629 1 586 . 1 1 193 193 GLU CA C 13 59.775 0.000 . 1 . . . . 634 GLU CA . 19629 1 587 . 1 1 193 193 GLU N N 15 122.556 0.000 . 1 . . . . 634 GLU N . 19629 1 588 . 1 1 194 194 ALA H H 1 7.622 0.001 . 1 . . . . 635 ALA HN . 19629 1 589 . 1 1 194 194 ALA HA H 1 3.635 0.000 . 1 . . . . 635 ALA HA . 19629 1 590 . 1 1 194 194 ALA C C 13 179.456 0.000 . 1 . . . . 635 ALA CO . 19629 1 591 . 1 1 194 194 ALA CA C 13 55.386 0.000 . 1 . . . . 635 ALA CA . 19629 1 592 . 1 1 194 194 ALA CB C 13 16.711 0.000 . 1 . . . . 635 ALA CB . 19629 1 593 . 1 1 194 194 ALA N N 15 119.359 0.026 . 1 . . . . 635 ALA N . 19629 1 594 . 1 1 195 195 GLY H H 1 8.344 0.002 . 1 . . . . 636 GLY HN . 19629 1 595 . 1 1 195 195 GLY C C 13 176.008 0.000 . 1 . . . . 636 GLY CO . 19629 1 596 . 1 1 195 195 GLY CA C 13 46.913 0.000 . 1 . . . . 636 GLY CA . 19629 1 597 . 1 1 195 195 GLY N N 15 103.250 0.023 . 1 . . . . 636 GLY N . 19629 1 598 . 1 1 196 196 ALA H H 1 7.818 0.001 . 1 . . . . 637 ALA HN . 19629 1 599 . 1 1 196 196 ALA HA H 1 4.071 0.000 . 1 . . . . 637 ALA HA . 19629 1 600 . 1 1 196 196 ALA C C 13 178.975 0.000 . 1 . . . . 637 ALA CO . 19629 1 601 . 1 1 196 196 ALA CA C 13 55.109 0.000 . 1 . . . . 637 ALA CA . 19629 1 602 . 1 1 196 196 ALA CB C 13 18.235 0.000 . 1 . . . . 637 ALA CB . 19629 1 603 . 1 1 196 196 ALA N N 15 124.582 0.019 . 1 . . . . 637 ALA N . 19629 1 604 . 1 1 197 197 LEU H H 1 7.180 0.004 . 1 . . . . 638 LEU HN . 19629 1 605 . 1 1 197 197 LEU HA H 1 3.788 0.000 . 1 . . . . 638 LEU HA . 19629 1 606 . 1 1 197 197 LEU C C 13 179.025 0.000 . 1 . . . . 638 LEU CO . 19629 1 607 . 1 1 197 197 LEU CA C 13 59.785 0.000 . 1 . . . . 638 LEU CA . 19629 1 608 . 1 1 197 197 LEU CB C 13 42.128 0.000 . 1 . . . . 638 LEU CB . 19629 1 609 . 1 1 197 197 LEU N N 15 116.692 0.016 . 1 . . . . 638 LEU N . 19629 1 610 . 1 1 198 198 LEU H H 1 7.785 0.003 . 1 . . . . 639 LEU HN . 19629 1 611 . 1 1 198 198 LEU HA H 1 3.990 0.000 . 1 . . . . 639 LEU HA . 19629 1 612 . 1 1 198 198 LEU C C 13 179.971 0.000 . 1 . . . . 639 LEU CO . 19629 1 613 . 1 1 198 198 LEU CA C 13 58.199 0.000 . 1 . . . . 639 LEU CA . 19629 1 614 . 1 1 198 198 LEU CB C 13 42.029 0.000 . 1 . . . . 639 LEU CB . 19629 1 615 . 1 1 198 198 LEU N N 15 117.893 0.011 . 1 . . . . 639 LEU N . 19629 1 616 . 1 1 199 199 GLN H H 1 8.232 0.000 . 1 . . . . 640 GLN HN . 19629 1 617 . 1 1 199 199 GLN HA H 1 4.081 0.000 . 1 . . . . 640 GLN HA . 19629 1 618 . 1 1 199 199 GLN C C 13 177.874 0.000 . 1 . . . . 640 GLN CO . 19629 1 619 . 1 1 199 199 GLN CA C 13 58.555 0.095 . 1 . . . . 640 GLN CA . 19629 1 620 . 1 1 199 199 GLN CB C 13 29.550 0.000 . 1 . . . . 640 GLN CB . 19629 1 621 . 1 1 199 199 GLN N N 15 117.363 0.022 . 1 . . . . 640 GLN N . 19629 1 622 . 1 1 200 200 ILE H H 1 7.684 0.004 . 1 . . . . 641 ILE HN . 19629 1 623 . 1 1 200 200 ILE C C 13 175.985 0.000 . 1 . . . . 641 ILE CO . 19629 1 624 . 1 1 200 200 ILE CA C 13 62.031 0.000 . 1 . . . . 641 ILE CA . 19629 1 625 . 1 1 200 200 ILE CB C 13 37.306 0.000 . 1 . . . . 641 ILE CB . 19629 1 626 . 1 1 200 200 ILE N N 15 117.945 0.005 . 1 . . . . 641 ILE N . 19629 1 627 . 1 1 201 201 ALA H H 1 8.135 0.004 . 1 . . . . 642 ALA HN . 19629 1 628 . 1 1 201 201 ALA HA H 1 3.872 0.000 . 1 . . . . 642 ALA HA . 19629 1 629 . 1 1 201 201 ALA C C 13 179.095 0.000 . 1 . . . . 642 ALA CO . 19629 1 630 . 1 1 201 201 ALA CA C 13 55.714 0.000 . 1 . . . . 642 ALA CA . 19629 1 631 . 1 1 201 201 ALA CB C 13 18.409 0.000 . 1 . . . . 642 ALA CB . 19629 1 632 . 1 1 201 201 ALA N N 15 122.105 0.035 . 1 . . . . 642 ALA N . 19629 1 633 . 1 1 202 202 GLU H H 1 7.315 0.004 . 1 . . . . 643 GLU HN . 19629 1 634 . 1 1 202 202 GLU C C 13 175.435 0.000 . 1 . . . . 643 GLU CO . 19629 1 635 . 1 1 202 202 GLU CA C 13 61.375 0.000 . 1 . . . . 643 GLU CA . 19629 1 636 . 1 1 202 202 GLU N N 15 115.661 0.015 . 1 . . . . 643 GLU N . 19629 1 637 . 1 1 203 203 PRO HA H 1 4.352 0.000 . 1 . . . . 644 PRO HA . 19629 1 638 . 1 1 203 203 PRO C C 13 179.706 0.000 . 1 . . . . 644 PRO CO . 19629 1 639 . 1 1 203 203 PRO CA C 13 65.730 0.004 . 1 . . . . 644 PRO CA . 19629 1 640 . 1 1 203 203 PRO CB C 13 30.533 0.000 . 1 . . . . 644 PRO CB . 19629 1 641 . 1 1 204 204 LEU H H 1 7.524 0.007 . 1 . . . . 645 LEU HN . 19629 1 642 . 1 1 204 204 LEU C C 13 176.979 0.000 . 1 . . . . 645 LEU CO . 19629 1 643 . 1 1 204 204 LEU CA C 13 58.749 0.000 . 1 . . . . 645 LEU CA . 19629 1 644 . 1 1 204 204 LEU N N 15 118.246 0.032 . 1 . . . . 645 LEU N . 19629 1 645 . 1 1 205 205 SER H H 1 8.000 0.000 . 1 . . . . 646 SER HN . 19629 1 646 . 1 1 205 205 SER C C 13 177.551 0.000 . 1 . . . . 646 SER CO . 19629 1 647 . 1 1 205 205 SER CA C 13 62.051 0.000 . 1 . . . . 646 SER CA . 19629 1 648 . 1 1 205 205 SER N N 15 114.676 0.019 . 1 . . . . 646 SER N . 19629 1 649 . 1 1 206 206 ILE H H 1 7.958 0.000 . 1 . . . . 647 ILE HN . 19629 1 650 . 1 1 206 206 ILE HA H 1 3.718 0.000 . 1 . . . . 647 ILE HA . 19629 1 651 . 1 1 206 206 ILE C C 13 178.592 0.000 . 1 . . . . 647 ILE CO . 19629 1 652 . 1 1 206 206 ILE CA C 13 64.436 0.000 . 1 . . . . 647 ILE CA . 19629 1 653 . 1 1 206 206 ILE N N 15 122.218 0.000 . 1 . . . . 647 ILE N . 19629 1 654 . 1 1 207 207 ALA H H 1 7.943 0.000 . 1 . . . . 648 ALA HN . 19629 1 655 . 1 1 207 207 ALA C C 13 180.692 0.000 . 1 . . . . 648 ALA CO . 19629 1 656 . 1 1 207 207 ALA CA C 13 55.039 0.000 . 1 . . . . 648 ALA CA . 19629 1 657 . 1 1 207 207 ALA CB C 13 18.619 0.000 . 1 . . . . 648 ALA CB . 19629 1 658 . 1 1 207 207 ALA N N 15 123.054 0.000 . 1 . . . . 648 ALA N . 19629 1 659 . 1 1 208 208 LEU H H 1 8.102 0.000 . 1 . . . . 649 LEU HN . 19629 1 660 . 1 1 208 208 LEU CA C 13 57.481 0.046 . 1 . . . . 649 LEU CA . 19629 1 661 . 1 1 208 208 LEU N N 15 118.149 0.000 . 1 . . . . 649 LEU N . 19629 1 662 . 1 1 209 209 GLN H H 1 7.797 0.000 . 1 . . . . 650 GLN HN . 19629 1 663 . 1 1 209 209 GLN C C 13 177.728 0.000 . 1 . . . . 650 GLN CO . 19629 1 664 . 1 1 209 209 GLN CA C 13 58.351 0.000 . 1 . . . . 650 GLN CA . 19629 1 665 . 1 1 209 209 GLN N N 15 118.836 0.000 . 1 . . . . 650 GLN N . 19629 1 666 . 1 1 210 210 GLN H H 1 7.975 0.120 . 1 . . . . 651 GLN HN . 19629 1 667 . 1 1 210 210 GLN C C 13 177.177 0.000 . 1 . . . . 651 GLN CO . 19629 1 668 . 1 1 210 210 GLN CA C 13 57.676 0.000 . 1 . . . . 651 GLN CA . 19629 1 669 . 1 1 210 210 GLN N N 15 118.998 0.173 . 1 . . . . 651 GLN N . 19629 1 670 . 1 1 211 211 ALA H H 1 8.109 0.000 . 1 . . . . 652 ALA HN . 19629 1 671 . 1 1 211 211 ALA C C 13 179.398 0.000 . 1 . . . . 652 ALA CO . 19629 1 672 . 1 1 211 211 ALA CA C 13 54.453 0.000 . 1 . . . . 652 ALA CA . 19629 1 673 . 1 1 211 211 ALA N N 15 122.262 0.030 . 1 . . . . 652 ALA N . 19629 1 674 . 1 1 212 212 GLU H H 1 8.208 0.003 . 1 . . . . 653 GLU HN . 19629 1 675 . 1 1 212 212 GLU HA H 1 4.156 0.000 . 1 . . . . 653 GLU HA . 19629 1 676 . 1 1 212 212 GLU CA C 13 58.630 0.001 . 1 . . . . 653 GLU CA . 19629 1 677 . 1 1 212 212 GLU CB C 13 29.643 0.000 . 1 . . . . 653 GLU CB . 19629 1 678 . 1 1 212 212 GLU N N 15 118.716 0.023 . 1 . . . . 653 GLU N . 19629 1 679 . 1 1 219 219 LEU C C 13 178.417 0.000 . 1 . . . . 660 LEU CO . 19629 1 680 . 1 1 219 219 LEU CA C 13 56.192 0.024 . 1 . . . . 660 LEU CA . 19629 1 681 . 1 1 219 219 LEU CB C 13 42.186 0.000 . 1 . . . . 660 LEU CB . 19629 1 682 . 1 1 220 220 LYS H H 1 7.913 0.000 . 1 . . . . 661 LYS HN . 19629 1 683 . 1 1 220 220 LYS HA H 1 4.261 0.000 . 1 . . . . 661 LYS HA . 19629 1 684 . 1 1 220 220 LYS C C 13 176.469 0.000 . 1 . . . . 661 LYS CO . 19629 1 685 . 1 1 220 220 LYS CA C 13 56.773 0.065 . 1 . . . . 661 LYS CA . 19629 1 686 . 1 1 220 220 LYS CB C 13 32.922 0.000 . 1 . . . . 661 LYS CB . 19629 1 687 . 1 1 220 220 LYS N N 15 119.845 0.000 . 1 . . . . 661 LYS N . 19629 1 688 . 1 1 221 221 ASN H H 1 8.142 0.000 . 1 . . . . 662 ASN HN . 19629 1 689 . 1 1 221 221 ASN C C 13 174.894 0.000 . 1 . . . . 662 ASN CO . 19629 1 690 . 1 1 221 221 ASN CA C 13 53.506 0.080 . 1 . . . . 662 ASN CA . 19629 1 691 . 1 1 221 221 ASN CB C 13 38.938 0.000 . 1 . . . . 662 ASN CB . 19629 1 692 . 1 1 221 221 ASN N N 15 118.377 0.000 . 1 . . . . 662 ASN N . 19629 1 693 . 1 1 222 222 LEU H H 1 8.048 0.000 . 1 . . . . 663 LEU HN . 19629 1 694 . 1 1 222 222 LEU HA H 1 4.397 0.000 . 1 . . . . 663 LEU HA . 19629 1 695 . 1 1 222 222 LEU C C 13 176.325 0.000 . 1 . . . . 663 LEU CO . 19629 1 696 . 1 1 222 222 LEU CA C 13 55.301 0.073 . 1 . . . . 663 LEU CA . 19629 1 697 . 1 1 222 222 LEU CB C 13 42.442 0.000 . 1 . . . . 663 LEU CB . 19629 1 698 . 1 1 222 222 LEU N N 15 122.141 0.000 . 1 . . . . 663 LEU N . 19629 1 699 . 1 1 223 223 GLU H H 1 7.809 0.001 . 1 . . . . 664 GLU HN . 19629 1 700 . 1 1 223 223 GLU CA C 13 58.147 0.006 . 1 . . . . 664 GLU CA . 19629 1 701 . 1 1 223 223 GLU CB C 13 31.331 0.000 . 1 . . . . 664 GLU CB . 19629 1 702 . 1 1 223 223 GLU N N 15 126.099 0.015 . 1 . . . . 664 GLU N . 19629 1 stop_ save_