################################### # 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 50105 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 50105 1 2 '3D HNCO' . . . 50105 1 3 '3D HNCACO' . . . 50105 1 4 '3D HNCOCA' . . . 50105 1 5 '3D HNCA' . . . 50105 1 6 '3D HNCOCACB' . . . 50105 1 7 '3D HNCACB' . . . 50105 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 3 3 LYS C C 13 176.354 . . 1 . . . . . 589 K CO . 50105 1 2 . 1 . 1 3 3 LYS CA C 13 56.823 . . 1 . . . . . 589 K CA . 50105 1 3 . 1 . 1 3 3 LYS CB C 13 33.150 . . 1 . . . . . 589 K CB . 50105 1 4 . 1 . 1 4 4 ASN H H 1 8.588 . . 1 . . . . . 590 N HN . 50105 1 5 . 1 . 1 4 4 ASN C C 13 174.462 . . 1 . . . . . 590 N CO . 50105 1 6 . 1 . 1 4 4 ASN CA C 13 53.261 . . 1 . . . . . 590 N CA . 50105 1 7 . 1 . 1 4 4 ASN CB C 13 38.993 . . 1 . . . . . 590 N CB . 50105 1 8 . 1 . 1 4 4 ASN N N 15 119.417 . . 1 . . . . . 590 N N . 50105 1 9 . 1 . 1 5 5 ASN H H 1 8.376 . . 1 . . . . . 591 N HN . 50105 1 10 . 1 . 1 5 5 ASN C C 13 173.316 . . 1 . . . . . 591 N CO . 50105 1 11 . 1 . 1 5 5 ASN CA C 13 51.469 . . 1 . . . . . 591 N CA . 50105 1 12 . 1 . 1 5 5 ASN CB C 13 38.822 . . 1 . . . . . 591 N CB . 50105 1 13 . 1 . 1 5 5 ASN N N 15 120.013 . . 1 . . . . . 591 N N . 50105 1 14 . 1 . 1 6 6 PRO C C 13 176.851 . . 1 . . . . . 592 P CO . 50105 1 15 . 1 . 1 6 6 PRO CA C 13 63.597 . . 1 . . . . . 592 P CA . 50105 1 16 . 1 . 1 6 6 PRO CB C 13 32.154 . . 1 . . . . . 592 P CB . 50105 1 17 . 1 . 1 6 6 PRO N N 15 136.903 . . 1 . . . . . 592 P N . 50105 1 18 . 1 . 1 7 7 GLU H H 1 8.482 . . 1 . . . . . 593 E HN . 50105 1 19 . 1 . 1 7 7 GLU C C 13 176.426 . . 1 . . . . . 593 E CO . 50105 1 20 . 1 . 1 7 7 GLU CA C 13 56.647 . . 1 . . . . . 593 E CA . 50105 1 21 . 1 . 1 7 7 GLU CB C 13 30.082 . . 1 . . . . . 593 E CB . 50105 1 22 . 1 . 1 7 7 GLU N N 15 120.297 . . 1 . . . . . 593 E N . 50105 1 23 . 1 . 1 8 8 LEU H H 1 8.090 . . 1 . . . . . 594 L HN . 50105 1 24 . 1 . 1 8 8 LEU C C 13 176.855 . . 1 . . . . . 594 L CO . 50105 1 25 . 1 . 1 8 8 LEU CA C 13 54.937 . . 1 . . . . . 594 L CA . 50105 1 26 . 1 . 1 8 8 LEU CB C 13 42.294 . . 1 . . . . . 594 L CB . 50105 1 27 . 1 . 1 8 8 LEU N N 15 123.277 . . 1 . . . . . 594 L N . 50105 1 28 . 1 . 1 9 9 LYS H H 1 8.241 . . 1 . . . . . 595 K HN . 50105 1 29 . 1 . 1 9 9 LYS C C 13 174.288 . . 1 . . . . . 595 K CO . 50105 1 30 . 1 . 1 9 9 LYS CA C 13 54.092 . . 1 . . . . . 595 K CA . 50105 1 31 . 1 . 1 9 9 LYS CB C 13 32.495 . . 1 . . . . . 595 K CB . 50105 1 32 . 1 . 1 9 9 LYS N N 15 123.801 . . 1 . . . . . 595 K N . 50105 1 33 . 1 . 1 10 10 PRO C C 13 176.712 . . 1 . . . . . 596 P CO . 50105 1 34 . 1 . 1 10 10 PRO CA C 13 63.084 . . 1 . . . . . 596 P CA . 50105 1 35 . 1 . 1 10 10 PRO CB C 13 32.199 . . 1 . . . . . 596 P CB . 50105 1 36 . 1 . 1 11 11 VAL H H 1 8.334 . . 1 . . . . . 597 V HN . 50105 1 37 . 1 . 1 11 11 VAL C C 13 176.252 . . 1 . . . . . 597 V CO . 50105 1 38 . 1 . 1 11 11 VAL CA C 13 62.457 . . 1 . . . . . 597 V CA . 50105 1 39 . 1 . 1 11 11 VAL CB C 13 32.771 . . 1 . . . . . 597 V CB . 50105 1 40 . 1 . 1 11 11 VAL N N 15 121.419 . . 1 . . . . . 597 V N . 50105 1 41 . 1 . 1 12 12 ILE H H 1 8.261 . . 1 . . . . . 598 I HN . 50105 1 42 . 1 . 1 12 12 ILE C C 13 176.566 . . 1 . . . . . 598 I CO . 50105 1 43 . 1 . 1 12 12 ILE CA C 13 61.067 . . 1 . . . . . 598 I CA . 50105 1 44 . 1 . 1 12 12 ILE CB C 13 38.694 . . 1 . . . . . 598 I CB . 50105 1 45 . 1 . 1 12 12 ILE N N 15 125.535 . . 1 . . . . . 598 I N . 50105 1 46 . 1 . 1 13 13 GLY H H 1 8.523 . . 1 . . . . . 599 G HN . 50105 1 47 . 1 . 1 13 13 GLY C C 13 174.060 . . 1 . . . . . 599 G CO . 50105 1 48 . 1 . 1 13 13 GLY CA C 13 45.400 . . 1 . . . . . 599 G CA . 50105 1 49 . 1 . 1 13 13 GLY N N 15 113.331 . . 1 . . . . . 599 G N . 50105 1 50 . 1 . 1 14 14 ARG H H 1 8.209 . . 1 . . . . . 600 R HN . 50105 1 51 . 1 . 1 14 14 ARG C C 13 176.124 . . 1 . . . . . 600 R CO . 50105 1 52 . 1 . 1 14 14 ARG CA C 13 56.561 . . 1 . . . . . 600 R CA . 50105 1 53 . 1 . 1 14 14 ARG CB C 13 31.025 . . 1 . . . . . 600 R CB . 50105 1 54 . 1 . 1 14 14 ARG N N 15 120.632 . . 1 . . . . . 600 R N . 50105 1 55 . 1 . 1 15 15 ASP H H 1 8.502 . . 1 . . . . . 601 D HN . 50105 1 56 . 1 . 1 15 15 ASP C C 13 176.583 . . 1 . . . . . 601 D CO . 50105 1 57 . 1 . 1 15 15 ASP CA C 13 54.768 . . 1 . . . . . 601 D CA . 50105 1 58 . 1 . 1 15 15 ASP CB C 13 40.956 . . 1 . . . . . 601 D CB . 50105 1 59 . 1 . 1 15 15 ASP N N 15 120.677 . . 1 . . . . . 601 D N . 50105 1 60 . 1 . 1 16 16 ILE H H 1 7.967 . . 1 . . . . . 602 I HN . 50105 1 61 . 1 . 1 16 16 ILE C C 13 176.643 . . 1 . . . . . 602 I CO . 50105 1 62 . 1 . 1 16 16 ILE CA C 13 61.817 . . 1 . . . . . 602 I CA . 50105 1 63 . 1 . 1 16 16 ILE CB C 13 38.502 . . 1 . . . . . 602 I CB . 50105 1 64 . 1 . 1 16 16 ILE N N 15 120.813 . . 1 . . . . . 602 I N . 50105 1 65 . 1 . 1 17 17 LEU H H 1 8.181 . . 1 . . . . . 603 L HN . 50105 1 66 . 1 . 1 17 17 LEU C C 13 178.044 . . 1 . . . . . 603 L CO . 50105 1 67 . 1 . 1 17 17 LEU CA C 13 55.878 . . 1 . . . . . 603 L CA . 50105 1 68 . 1 . 1 17 17 LEU CB C 13 42.095 . . 1 . . . . . 603 L CB . 50105 1 69 . 1 . 1 17 17 LEU N N 15 124.369 . . 1 . . . . . 603 L N . 50105 1 70 . 1 . 1 18 18 GLU H H 1 8.269 . . 1 . . . . . 604 E HN . 50105 1 71 . 1 . 1 18 18 GLU C C 13 176.983 . . 1 . . . . . 604 E CO . 50105 1 72 . 1 . 1 18 18 GLU CA C 13 57.184 . . 1 . . . . . 604 E CA . 50105 1 73 . 1 . 1 18 18 GLU CB C 13 30.048 . . 1 . . . . . 604 E CB . 50105 1 74 . 1 . 1 18 18 GLU N N 15 120.835 . . 1 . . . . . 604 E N . 50105 1 75 . 1 . 1 19 19 GLN H H 1 8.247 . . 1 . . . . . 605 Q HN . 50105 1 76 . 1 . 1 19 19 GLN C C 13 176.424 . . 1 . . . . . 605 Q CO . 50105 1 77 . 1 . 1 19 19 GLN CA C 13 56.541 . . 1 . . . . . 605 Q CA . 50105 1 78 . 1 . 1 19 19 GLN CB C 13 29.290 . . 1 . . . . . 605 Q CB . 50105 1 79 . 1 . 1 19 19 GLN N N 15 120.414 . . 1 . . . . . 605 Q N . 50105 1 80 . 1 . 1 20 20 GLN H H 1 8.347 . . 1 . . . . . 606 Q HN . 50105 1 81 . 1 . 1 20 20 GLN C C 13 176.379 . . 1 . . . . . 606 Q CO . 50105 1 82 . 1 . 1 20 20 GLN CA C 13 56.493 . . 1 . . . . . 606 Q CA . 50105 1 83 . 1 . 1 20 20 GLN CB C 13 29.333 . . 1 . . . . . 606 Q CB . 50105 1 84 . 1 . 1 20 20 GLN N N 15 120.453 . . 1 . . . . . 606 Q N . 50105 1 85 . 1 . 1 21 21 SER H H 1 8.262 . . 1 . . . . . 607 S HN . 50105 1 86 . 1 . 1 21 21 SER C C 13 174.644 . . 1 . . . . . 607 S CO . 50105 1 87 . 1 . 1 21 21 SER CA C 13 58.689 . . 1 . . . . . 607 S CA . 50105 1 88 . 1 . 1 21 21 SER CB C 13 63.669 . . 1 . . . . . 607 S CB . 50105 1 89 . 1 . 1 21 21 SER N N 15 116.331 . . 1 . . . . . 607 S N . 50105 1 90 . 1 . 1 22 22 LEU H H 1 8.090 . . 1 . . . . . 608 L HN . 50105 1 91 . 1 . 1 22 22 LEU C C 13 177.088 . . 1 . . . . . 608 L CO . 50105 1 92 . 1 . 1 22 22 LEU CA C 13 55.613 . . 1 . . . . . 608 L CA . 50105 1 93 . 1 . 1 22 22 LEU CB C 13 42.279 . . 1 . . . . . 608 L CB . 50105 1 94 . 1 . 1 22 22 LEU N N 15 123.467 . . 1 . . . . . 608 L N . 50105 1 95 . 1 . 1 23 23 PHE H H 1 8.049 . . 1 . . . . . 609 F HN . 50105 1 96 . 1 . 1 23 23 PHE C C 13 175.576 . . 1 . . . . . 609 F CO . 50105 1 97 . 1 . 1 23 23 PHE CA C 13 57.598 . . 1 . . . . . 609 F CA . 50105 1 98 . 1 . 1 23 23 PHE CB C 13 39.691 . . 1 . . . . . 609 F CB . 50105 1 99 . 1 . 1 23 23 PHE N N 15 119.551 . . 1 . . . . . 609 F N . 50105 1 100 . 1 . 1 24 24 SER H H 1 7.973 . . 1 . . . . . 610 S HN . 50105 1 101 . 1 . 1 24 24 SER C C 13 174.256 . . 1 . . . . . 610 S CO . 50105 1 102 . 1 . 1 24 24 SER CA C 13 58.022 . . 1 . . . . . 610 S CA . 50105 1 103 . 1 . 1 24 24 SER CB C 13 63.941 . . 1 . . . . . 610 S CB . 50105 1 104 . 1 . 1 24 24 SER N N 15 116.731 . . 1 . . . . . 610 S N . 50105 1 105 . 1 . 1 25 25 PHE H H 1 8.231 . . 1 . . . . . 611 F HN . 50105 1 106 . 1 . 1 25 25 PHE C C 13 175.637 . . 1 . . . . . 611 F CO . 50105 1 107 . 1 . 1 25 25 PHE CA C 13 58.177 . . 1 . . . . . 611 F CA . 50105 1 108 . 1 . 1 25 25 PHE CB C 13 39.399 . . 1 . . . . . 611 F CB . 50105 1 109 . 1 . 1 25 25 PHE N N 15 122.206 . . 1 . . . . . 611 F N . 50105 1 110 . 1 . 1 26 26 ASP H H 1 8.243 . . 1 . . . . . 612 D HN . 50105 1 111 . 1 . 1 26 26 ASP C C 13 175.948 . . 1 . . . . . 612 D CO . 50105 1 112 . 1 . 1 26 26 ASP CA C 13 54.648 . . 1 . . . . . 612 D CA . 50105 1 113 . 1 . 1 26 26 ASP CB C 13 41.109 . . 1 . . . . . 612 D CB . 50105 1 114 . 1 . 1 26 26 ASP N N 15 120.645 . . 1 . . . . . 612 D N . 50105 1 115 . 1 . 1 27 27 ASN H H 1 8.209 . . 1 . . . . . 613 N HN . 50105 1 116 . 1 . 1 27 27 ASN C C 13 175.375 . . 1 . . . . . 613 N CO . 50105 1 117 . 1 . 1 27 27 ASN CA C 13 53.602 . . 1 . . . . . 613 N CA . 50105 1 118 . 1 . 1 27 27 ASN CB C 13 38.862 . . 1 . . . . . 613 N CB . 50105 1 119 . 1 . 1 27 27 ASN N N 15 118.595 . . 1 . . . . . 613 N N . 50105 1 120 . 1 . 1 28 28 VAL H H 1 7.978 . . 1 . . . . . 614 V HN . 50105 1 121 . 1 . 1 28 28 VAL C C 13 176.391 . . 1 . . . . . 614 V CO . 50105 1 122 . 1 . 1 28 28 VAL CA C 13 63.079 . . 1 . . . . . 614 V CA . 50105 1 123 . 1 . 1 28 28 VAL CB C 13 32.481 . . 1 . . . . . 614 V CB . 50105 1 124 . 1 . 1 28 28 VAL N N 15 119.809 . . 1 . . . . . 614 V N . 50105 1 125 . 1 . 1 29 29 LYS H H 1 8.257 . . 1 . . . . . 615 K HN . 50105 1 126 . 1 . 1 29 29 LYS C C 13 176.242 . . 1 . . . . . 615 K CO . 50105 1 127 . 1 . 1 29 29 LYS CA C 13 56.688 . . 1 . . . . . 615 K CA . 50105 1 128 . 1 . 1 29 29 LYS CB C 13 32.794 . . 1 . . . . . 615 K CB . 50105 1 129 . 1 . 1 29 29 LYS N N 15 123.482 . . 1 . . . . . 615 K N . 50105 1 130 . 1 . 1 30 30 ASN H H 1 8.232 . . 1 . . . . . 616 N HN . 50105 1 131 . 1 . 1 30 30 ASN C C 13 174.854 . . 1 . . . . . 616 N CO . 50105 1 132 . 1 . 1 30 30 ASN CA C 13 53.206 . . 1 . . . . . 616 N CA . 50105 1 133 . 1 . 1 30 30 ASN CB C 13 38.992 . . 1 . . . . . 616 N CB . 50105 1 134 . 1 . 1 30 30 ASN N N 15 118.842 . . 1 . . . . . 616 N N . 50105 1 135 . 1 . 1 31 31 PHE H H 1 8.119 . . 1 . . . . . 617 F HN . 50105 1 136 . 1 . 1 31 31 PHE C C 13 175.771 . . 1 . . . . . 617 F CO . 50105 1 137 . 1 . 1 31 31 PHE CA C 13 58.071 . . 1 . . . . . 617 F CA . 50105 1 138 . 1 . 1 31 31 PHE CB C 13 39.530 . . 1 . . . . . 617 F CB . 50105 1 139 . 1 . 1 31 31 PHE N N 15 120.648 . . 1 . . . . . 617 F N . 50105 1 140 . 1 . 1 32 32 ARG H H 1 8.237 . . 1 . . . . . 618 R HN . 50105 1 141 . 1 . 1 32 32 ARG C C 13 175.834 . . 1 . . . . . 618 R CO . 50105 1 142 . 1 . 1 32 32 ARG CA C 13 56.226 . . 1 . . . . . 618 R CA . 50105 1 143 . 1 . 1 32 32 ARG CB C 13 30.861 . . 1 . . . . . 618 R CB . 50105 1 144 . 1 . 1 32 32 ARG N N 15 122.437 . . 1 . . . . . 618 R N . 50105 1 145 . 1 . 1 33 33 ASP H H 1 8.255 . . 1 . . . . . 619 D HN . 50105 1 146 . 1 . 1 33 33 ASP C C 13 176.869 . . 1 . . . . . 619 D CO . 50105 1 147 . 1 . 1 33 33 ASP CA C 13 54.533 . . 1 . . . . . 619 D CA . 50105 1 148 . 1 . 1 33 33 ASP CB C 13 41.194 . . 1 . . . . . 619 D CB . 50105 1 149 . 1 . 1 33 33 ASP N N 15 121.421 . . 1 . . . . . 619 D N . 50105 1 150 . 1 . 1 34 34 GLY H H 1 8.374 . . 1 . . . . . 620 G HN . 50105 1 151 . 1 . 1 34 34 GLY C C 13 174.551 . . 1 . . . . . 620 G CO . 50105 1 152 . 1 . 1 34 34 GLY CA C 13 45.695 . . 1 . . . . . 620 G CA . 50105 1 153 . 1 . 1 34 34 GLY N N 15 109.963 . . 1 . . . . . 620 G N . 50105 1 154 . 1 . 1 35 35 SER H H 1 8.255 . . 1 . . . . . 621 S HN . 50105 1 155 . 1 . 1 35 35 SER C C 13 174.766 . . 1 . . . . . 621 S CO . 50105 1 156 . 1 . 1 35 35 SER CA C 13 58.904 . . 1 . . . . . 621 S CA . 50105 1 157 . 1 . 1 35 35 SER CB C 13 63.894 . . 1 . . . . . 621 S CB . 50105 1 158 . 1 . 1 35 35 SER N N 15 115.835 . . 1 . . . . . 621 S N . 50105 1 159 . 1 . 1 36 36 LEU H H 1 8.264 . . 1 . . . . . 622 L HN . 50105 1 160 . 1 . 1 36 36 LEU C C 13 177.590 . . 1 . . . . . 622 L CO . 50105 1 161 . 1 . 1 36 36 LEU CA C 13 55.405 . . 1 . . . . . 622 L CA . 50105 1 162 . 1 . 1 36 36 LEU CB C 13 42.282 . . 1 . . . . . 622 L CB . 50105 1 163 . 1 . 1 36 36 LEU N N 15 123.483 . . 1 . . . . . 622 L N . 50105 1 164 . 1 . 1 37 37 THR H H 1 8.047 . . 1 . . . . . 623 T HN . 50105 1 165 . 1 . 1 37 37 THR C C 13 174.134 . . 1 . . . . . 623 T CO . 50105 1 166 . 1 . 1 37 37 THR CA C 13 61.772 . . 1 . . . . . 623 T CA . 50105 1 167 . 1 . 1 37 37 THR CB C 13 69.736 . . 1 . . . . . 623 T CB . 50105 1 168 . 1 . 1 37 37 THR N N 15 113.705 . . 1 . . . . . 623 T N . 50105 1 169 . 1 . 1 38 38 ASN H H 1 8.382 . . 1 . . . . . 624 N HN . 50105 1 170 . 1 . 1 38 38 ASN C C 13 174.713 . . 1 . . . . . 624 N CO . 50105 1 171 . 1 . 1 38 38 ASN CA C 13 53.231 . . 1 . . . . . 624 N CA . 50105 1 172 . 1 . 1 38 38 ASN CB C 13 39.090 . . 1 . . . . . 624 N CB . 50105 1 173 . 1 . 1 38 38 ASN N N 15 120.510 . . 1 . . . . . 624 N N . 50105 1 174 . 1 . 1 39 39 GLU H H 1 8.239 . . 1 . . . . . 625 E HN . 50105 1 175 . 1 . 1 39 39 GLU C C 13 174.599 . . 1 . . . . . 625 E CO . 50105 1 176 . 1 . 1 39 39 GLU CA C 13 54.499 . . 1 . . . . . 625 E CA . 50105 1 177 . 1 . 1 39 39 GLU CB C 13 29.756 . . 1 . . . . . 625 E CB . 50105 1 178 . 1 . 1 39 39 GLU N N 15 121.999 . . 1 . . . . . 625 E N . 50105 1 179 . 1 . 1 40 40 PRO C C 13 176.718 . . 1 . . . . . 626 P CO . 50105 1 180 . 1 . 1 40 40 PRO CA C 13 63.425 . . 1 . . . . . 626 P CA . 50105 1 181 . 1 . 1 40 40 PRO CB C 13 31.876 . . 1 . . . . . 626 P CB . 50105 1 182 . 1 . 1 41 41 TYR H H 1 8.209 . . 1 . . . . . 627 Y HN . 50105 1 183 . 1 . 1 41 41 TYR C C 13 176.518 . . 1 . . . . . 627 Y CO . 50105 1 184 . 1 . 1 41 41 TYR CA C 13 58.065 . . 1 . . . . . 627 Y CA . 50105 1 185 . 1 . 1 41 41 TYR CB C 13 38.653 . . 1 . . . . . 627 Y CB . 50105 1 186 . 1 . 1 41 41 TYR N N 15 120.065 . . 1 . . . . . 627 Y N . 50105 1 187 . 1 . 1 42 42 GLY H H 1 8.220 . . 1 . . . . . 628 G HN . 50105 1 188 . 1 . 1 42 42 GLY C C 13 173.815 . . 1 . . . . . 628 G CO . 50105 1 189 . 1 . 1 42 42 GLY CA C 13 45.376 . . 1 . . . . . 628 G CA . 50105 1 190 . 1 . 1 42 42 GLY N N 15 110.868 . . 1 . . . . . 628 G N . 50105 1 191 . 1 . 1 43 43 ALA H H 1 8.032 . . 1 . . . . . 629 A HN . 50105 1 192 . 1 . 1 43 43 ALA C C 13 177.549 . . 1 . . . . . 629 A CO . 50105 1 193 . 1 . 1 43 43 ALA CA C 13 52.579 . . 1 . . . . . 629 A CA . 50105 1 194 . 1 . 1 43 43 ALA CB C 13 19.323 . . 1 . . . . . 629 A CB . 50105 1 195 . 1 . 1 43 43 ALA N N 15 123.669 . . 1 . . . . . 629 A N . 50105 1 196 . 1 . 1 44 44 ALA H H 1 8.220 . . 1 . . . . . 630 A HN . 50105 1 197 . 1 . 1 44 44 ALA C C 13 177.888 . . 1 . . . . . 630 A CO . 50105 1 198 . 1 . 1 44 44 ALA CA C 13 52.631 . . 1 . . . . . 630 A CA . 50105 1 199 . 1 . 1 44 44 ALA CB C 13 19.026 . . 1 . . . . . 630 A CB . 50105 1 200 . 1 . 1 44 44 ALA N N 15 122.782 . . 1 . . . . . 630 A N . 50105 1 201 . 1 . 1 45 45 VAL H H 1 7.981 . . 1 . . . . . 631 V HN . 50105 1 202 . 1 . 1 45 45 VAL C C 13 176.064 . . 1 . . . . . 631 V CO . 50105 1 203 . 1 . 1 45 45 VAL CA C 13 62.489 . . 1 . . . . . 631 V CA . 50105 1 204 . 1 . 1 45 45 VAL CB C 13 32.790 . . 1 . . . . . 631 V CB . 50105 1 205 . 1 . 1 45 45 VAL N N 15 119.108 . . 1 . . . . . 631 V N . 50105 1 206 . 1 . 1 46 46 GLN H H 1 8.353 . . 1 . . . . . 632 Q HN . 50105 1 207 . 1 . 1 46 46 GLN C C 13 175.679 . . 1 . . . . . 632 Q CO . 50105 1 208 . 1 . 1 46 46 GLN CA C 13 55.740 . . 1 . . . . . 632 Q CA . 50105 1 209 . 1 . 1 46 46 GLN CB C 13 29.539 . . 1 . . . . . 632 Q CB . 50105 1 210 . 1 . 1 46 46 GLN N N 15 123.881 . . 1 . . . . . 632 Q N . 50105 1 211 . 1 . 1 47 47 LEU H H 1 8.317 . . 1 . . . . . 633 L HN . 50105 1 212 . 1 . 1 47 47 LEU C C 13 177.215 . . 1 . . . . . 633 L CO . 50105 1 213 . 1 . 1 47 47 LEU CA C 13 55.182 . . 1 . . . . . 633 L CA . 50105 1 214 . 1 . 1 47 47 LEU CB C 13 42.419 . . 1 . . . . . 633 L CB . 50105 1 215 . 1 . 1 47 47 LEU N N 15 124.182 . . 1 . . . . . 633 L N . 50105 1 216 . 1 . 1 48 48 ARG H H 1 8.286 . . 1 . . . . . 634 R HN . 50105 1 217 . 1 . 1 48 48 ARG C C 13 176.535 . . 1 . . . . . 634 R CO . 50105 1 218 . 1 . 1 48 48 ARG CA C 13 56.175 . . 1 . . . . . 634 R CA . 50105 1 219 . 1 . 1 48 48 ARG CB C 13 30.835 . . 1 . . . . . 634 R CB . 50105 1 220 . 1 . 1 48 48 ARG N N 15 122.055 . . 1 . . . . . 634 R N . 50105 1 221 . 1 . 1 49 49 GLU H H 1 8.582 . . 1 . . . . . 635 E HN . 50105 1 222 . 1 . 1 49 49 GLU C C 13 176.179 . . 1 . . . . . 635 E CO . 50105 1 223 . 1 . 1 49 49 GLU CA C 13 57.088 . . 1 . . . . . 635 E CA . 50105 1 224 . 1 . 1 49 49 GLU CB C 13 30.259 . . 1 . . . . . 635 E CB . 50105 1 225 . 1 . 1 49 49 GLU N N 15 121.986 . . 1 . . . . . 635 E N . 50105 1 226 . 1 . 1 50 50 ASP H H 1 8.421 . . 1 . . . . . 636 D HN . 50105 1 227 . 1 . 1 50 50 ASP C C 13 175.829 . . 1 . . . . . 636 D CO . 50105 1 228 . 1 . 1 50 50 ASP CA C 13 54.366 . . 1 . . . . . 636 D CA . 50105 1 229 . 1 . 1 50 50 ASP CB C 13 40.787 . . 1 . . . . . 636 D CB . 50105 1 230 . 1 . 1 50 50 ASP N N 15 119.889 . . 1 . . . . . 636 D N . 50105 1 231 . 1 . 1 51 51 LEU H H 1 7.920 . . 1 . . . . . 637 L HN . 50105 1 232 . 1 . 1 51 51 LEU C C 13 176.758 . . 1 . . . . . 637 L CO . 50105 1 233 . 1 . 1 51 51 LEU CA C 13 55.139 . . 1 . . . . . 637 L CA . 50105 1 234 . 1 . 1 51 51 LEU CB C 13 42.563 . . 1 . . . . . 637 L CB . 50105 1 235 . 1 . 1 51 51 LEU N N 15 121.511 . . 1 . . . . . 637 L N . 50105 1 236 . 1 . 1 52 52 ILE H H 1 8.040 . . 1 . . . . . 638 I HN . 50105 1 237 . 1 . 1 52 52 ILE C C 13 175.837 . . 1 . . . . . 638 I CO . 50105 1 238 . 1 . 1 52 52 ILE CA C 13 60.878 . . 1 . . . . . 638 I CA . 50105 1 239 . 1 . 1 52 52 ILE CB C 13 38.355 . . 1 . . . . . 638 I CB . 50105 1 240 . 1 . 1 52 52 ILE N N 15 122.392 . . 1 . . . . . 638 I N . 50105 1 241 . 1 . 1 53 53 LEU H H 1 8.286 . . 1 . . . . . 639 L HN . 50105 1 242 . 1 . 1 53 53 LEU C C 13 175.165 . . 1 . . . . . 639 L CO . 50105 1 243 . 1 . 1 53 53 LEU CA C 13 52.959 . . 1 . . . . . 639 L CA . 50105 1 244 . 1 . 1 53 53 LEU CB C 13 41.735 . . 1 . . . . . 639 L CB . 50105 1 245 . 1 . 1 53 53 LEU N N 15 128.097 . . 1 . . . . . 639 L N . 50105 1 246 . 1 . 1 54 54 PRO C C 13 176.937 . . 1 . . . . . 640 P CO . 50105 1 247 . 1 . 1 54 54 PRO CA C 13 63.353 . . 1 . . . . . 640 P CA . 50105 1 248 . 1 . 1 54 54 PRO CB C 13 32.093 . . 1 . . . . . 640 P CB . 50105 1 249 . 1 . 1 55 55 GLU H H 1 8.441 . . 1 . . . . . 641 E HN . 50105 1 250 . 1 . 1 55 55 GLU C C 13 176.340 . . 1 . . . . . 641 E CO . 50105 1 251 . 1 . 1 55 55 GLU CA C 13 56.579 . . 1 . . . . . 641 E CA . 50105 1 252 . 1 . 1 55 55 GLU CB C 13 30.057 . . 1 . . . . . 641 E CB . 50105 1 253 . 1 . 1 55 55 GLU N N 15 120.300 . . 1 . . . . . 641 E N . 50105 1 254 . 1 . 1 56 56 LEU H H 1 8.158 . . 1 . . . . . 642 L HN . 50105 1 255 . 1 . 1 56 56 LEU C C 13 176.756 . . 1 . . . . . 642 L CO . 50105 1 256 . 1 . 1 56 56 LEU CA C 13 55.095 . . 1 . . . . . 642 L CA . 50105 1 257 . 1 . 1 56 56 LEU CB C 13 42.426 . . 1 . . . . . 642 L CB . 50105 1 258 . 1 . 1 56 56 LEU N N 15 122.999 . . 1 . . . . . 642 L N . 50105 1 259 . 1 . 1 57 57 ASN H H 1 8.331 . . 1 . . . . . 643 N HN . 50105 1 260 . 1 . 1 57 57 ASN C C 13 174.984 . . 1 . . . . . 643 N CO . 50105 1 261 . 1 . 1 57 57 ASN CA C 13 53.070 . . 1 . . . . . 643 N CA . 50105 1 262 . 1 . 1 57 57 ASN CB C 13 39.037 . . 1 . . . . . 643 N CB . 50105 1 263 . 1 . 1 57 57 ASN N N 15 119.358 . . 1 . . . . . 643 N N . 50105 1 264 . 1 . 1 58 58 PHE H H 1 8.235 . . 1 . . . . . 644 F HN . 50105 1 265 . 1 . 1 58 58 PHE C C 13 175.814 . . 1 . . . . . 644 F CO . 50105 1 266 . 1 . 1 58 58 PHE CA C 13 58.338 . . 1 . . . . . 644 F CA . 50105 1 267 . 1 . 1 58 58 PHE CB C 13 39.517 . . 1 . . . . . 644 F CB . 50105 1 268 . 1 . 1 58 58 PHE N N 15 121.245 . . 1 . . . . . 644 F N . 50105 1 269 . 1 . 1 59 59 GLU H H 1 8.329 . . 1 . . . . . 645 E HN . 50105 1 270 . 1 . 1 59 59 GLU C C 13 176.563 . . 1 . . . . . 645 E CO . 50105 1 271 . 1 . 1 59 59 GLU CA C 13 56.877 . . 1 . . . . . 645 E CA . 50105 1 272 . 1 . 1 59 59 GLU CB C 13 30.227 . . 1 . . . . . 645 E CB . 50105 1 273 . 1 . 1 59 59 GLU N N 15 121.813 . . 1 . . . . . 645 E N . 50105 1 274 . 1 . 1 60 60 GLU H H 1 8.359 . . 1 . . . . . 646 E HN . 50105 1 275 . 1 . 1 60 60 GLU C C 13 177.029 . . 1 . . . . . 646 E CO . 50105 1 276 . 1 . 1 60 60 GLU CA C 13 56.931 . . 1 . . . . . 646 E CA . 50105 1 277 . 1 . 1 60 60 GLU CB C 13 30.229 . . 1 . . . . . 646 E CB . 50105 1 278 . 1 . 1 60 60 GLU N N 15 121.652 . . 1 . . . . . 646 E N . 50105 1 279 . 1 . 1 61 61 THR H H 1 8.187 . . 1 . . . . . 647 T HN . 50105 1 280 . 1 . 1 61 61 THR C C 13 174.790 . . 1 . . . . . 647 T CO . 50105 1 281 . 1 . 1 61 61 THR CA C 13 62.529 . . 1 . . . . . 647 T CA . 50105 1 282 . 1 . 1 61 61 THR CB C 13 69.760 . . 1 . . . . . 647 T CB . 50105 1 283 . 1 . 1 61 61 THR N N 15 114.810 . . 1 . . . . . 647 T N . 50105 1 284 . 1 . 1 62 62 ASN H H 1 8.448 . . 1 . . . . . 648 N HN . 50105 1 285 . 1 . 1 62 62 ASN C C 13 175.502 . . 1 . . . . . 648 N CO . 50105 1 286 . 1 . 1 62 62 ASN CA C 13 53.821 . . 1 . . . . . 648 N CA . 50105 1 287 . 1 . 1 62 62 ASN CB C 13 38.703 . . 1 . . . . . 648 N CB . 50105 1 288 . 1 . 1 62 62 ASN N N 15 120.810 . . 1 . . . . . 648 N N . 50105 1 289 . 1 . 1 63 63 ALA H H 1 8.250 . . 1 . . . . . 649 A HN . 50105 1 290 . 1 . 1 63 63 ALA C C 13 178.244 . . 1 . . . . . 649 A CO . 50105 1 291 . 1 . 1 63 63 ALA CA C 13 53.412 . . 1 . . . . . 649 A CA . 50105 1 292 . 1 . 1 63 63 ALA CB C 13 18.957 . . 1 . . . . . 649 A CB . 50105 1 293 . 1 . 1 63 63 ALA N N 15 124.174 . . 1 . . . . . 649 A N . 50105 1 294 . 1 . 1 64 64 SER H H 1 8.187 . . 1 . . . . . 650 S HN . 50105 1 295 . 1 . 1 64 64 SER C C 13 175.151 . . 1 . . . . . 650 S CO . 50105 1 296 . 1 . 1 64 64 SER CA C 13 59.051 . . 1 . . . . . 650 S CA . 50105 1 297 . 1 . 1 64 64 SER CB C 13 63.596 . . 1 . . . . . 650 S CB . 50105 1 298 . 1 . 1 64 64 SER N N 15 114.184 . . 1 . . . . . 650 S N . 50105 1 stop_ save_