################################### # 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 17529 _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-1H NOESY' . . . 17529 1 2 '2D 1H-1H TOCSY' . . . 17529 1 5 '2D 1H-15N HSQC' . . . 17529 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 5 5 GLN H H 1 7.801 0.000 . 1 . . . . 476 GLN HN . 17529 1 2 . 1 1 5 5 GLN HA H 1 4.088 0.000 . 1 . . . . 476 GLN HA . 17529 1 3 . 1 1 5 5 GLN HB2 H 1 1.697 0.046 . 2 . . . . 476 GLN HB2 . 17529 1 4 . 1 1 5 5 GLN HB3 H 1 1.754 0.062 . 2 . . . . 476 GLN HB3 . 17529 1 5 . 1 1 5 5 GLN HG2 H 1 2.006 0.025 . 2 . . . . 476 GLN HG2 . 17529 1 6 . 1 1 5 5 GLN HG3 H 1 1.678 0.004 . 2 . . . . 476 GLN HG3 . 17529 1 7 . 1 1 5 5 GLN HE21 H 1 7.311 0.001 . 2 . . . . 476 GLN HE21 . 17529 1 8 . 1 1 5 5 GLN HE22 H 1 6.806 0.131 . 2 . . . . 476 GLN HE22 . 17529 1 9 . 1 1 6 6 SER H H 1 8.242 0.001 . 1 . . . . 477 SER HN . 17529 1 10 . 1 1 6 6 SER HA H 1 4.381 0.000 . 1 . . . . 477 SER HA . 17529 1 11 . 1 1 6 6 SER HB2 H 1 4.090 0.000 . 2 . . . . 477 SER HB2 . 17529 1 12 . 1 1 6 6 SER HB3 H 1 4.025 0.005 . 2 . . . . 477 SER HB3 . 17529 1 13 . 1 1 7 7 PHE H H 1 7.955 0.001 . 1 . . . . 478 PHE HN . 17529 1 14 . 1 1 7 7 PHE HA H 1 4.442 0.000 . 1 . . . . 478 PHE HA . 17529 1 15 . 1 1 7 7 PHE HB2 H 1 3.002 0.000 . 2 . . . . 478 PHE HB2 . 17529 1 16 . 1 1 7 7 PHE HB3 H 1 2.797 0.000 . 2 . . . . 478 PHE HB3 . 17529 1 17 . 1 1 7 7 PHE HD1 H 1 7.038 0.001 . 3 . . . . 478 PHE QD . 17529 1 18 . 1 1 7 7 PHE HD2 H 1 7.038 0.001 . 3 . . . . 478 PHE QD . 17529 1 19 . 1 1 7 7 PHE HE1 H 1 6.837 0.000 . 3 . . . . 478 PHE QE . 17529 1 20 . 1 1 7 7 PHE HE2 H 1 6.837 0.000 . 3 . . . . 478 PHE QE . 17529 1 21 . 1 1 7 7 PHE HZ H 1 7.085 0.000 . 1 . . . . 478 PHE HZ . 17529 1 22 . 1 1 8 8 LEU H H 1 8.329 0.000 . 1 . . . . 479 LEU HN . 17529 1 23 . 1 1 8 8 LEU HA H 1 4.099 0.000 . 1 . . . . 479 LEU HA . 17529 1 24 . 1 1 8 8 LEU HB2 H 1 1.606 0.000 . 2 . . . . 479 LEU HB2 . 17529 1 25 . 1 1 8 8 LEU HB3 H 1 1.483 0.001 . 2 . . . . 479 LEU HB3 . 17529 1 26 . 1 1 8 8 LEU HG H 1 1.227 0.000 . 1 . . . . 479 LEU HG . 17529 1 27 . 1 1 9 9 PRO HA H 1 4.461 0.001 . 1 . . . . 480 PRO HA . 17529 1 28 . 1 1 9 9 PRO HB2 H 1 2.210 0.003 . 2 . . . . 480 PRO HB2 . 17529 1 29 . 1 1 9 9 PRO HB3 H 1 1.688 0.014 . 2 . . . . 480 PRO HB3 . 17529 1 30 . 1 1 9 9 PRO HG2 H 1 1.503 0.003 . 2 . . . . 480 PRO HG2 . 17529 1 31 . 1 1 9 9 PRO HG3 H 1 1.234 0.003 . 2 . . . . 480 PRO HG3 . 17529 1 32 . 1 1 9 9 PRO HD2 H 1 3.174 0.000 . 2 . . . . 480 PRO HD2 . 17529 1 33 . 1 1 9 9 PRO HD3 H 1 2.656 0.006 . 2 . . . . 480 PRO HD3 . 17529 1 34 . 1 1 10 10 PRO HA H 1 4.194 0.000 . 1 . . . . 481 PRO HA . 17529 1 35 . 1 1 10 10 PRO HB2 H 1 2.139 0.000 . 2 . . . . 481 PRO HB2 . 17529 1 36 . 1 1 10 10 PRO HB3 H 1 1.920 0.000 . 2 . . . . 481 PRO HB3 . 17529 1 37 . 1 1 10 10 PRO HG2 H 1 1.756 0.000 . 2 . . . . 481 PRO HG2 . 17529 1 38 . 1 1 10 10 PRO HG3 H 1 1.711 0.000 . 2 . . . . 481 PRO HG3 . 17529 1 39 . 1 1 10 10 PRO HD2 H 1 3.644 0.000 . 2 . . . . 481 PRO HD2 . 17529 1 40 . 1 1 10 10 PRO HD3 H 1 3.369 0.000 . 2 . . . . 481 PRO HD3 . 17529 1 41 . 1 1 10 10 PRO CA C 13 58.734 0.000 . 1 . . . . 481 PRO CA . 17529 1 42 . 1 1 10 10 PRO CB C 13 25.920 0.000 . 1 . . . . 481 PRO CB . 17529 1 43 . 1 1 11 11 GLY H H 1 8.635 0.000 . 1 . . . . 482 GLY HN . 17529 1 44 . 1 1 11 11 GLY HA2 H 1 4.053 0.000 . 2 . . . . 482 GLY HA2 . 17529 1 45 . 1 1 11 11 GLY HA3 H 1 4.179 0.000 . 2 . . . . 482 GLY HA3 . 17529 1 46 . 1 1 11 11 GLY CA C 13 40.090 0.113 . 1 . . . . 482 GLY CA . 17529 1 47 . 1 1 11 11 GLY N N 15 112.436 0.000 . 1 . . . . 482 GLY N . 17529 1 48 . 1 1 12 12 TRP H H 1 7.604 0.001 . 1 . . . . 483 TRP HN . 17529 1 49 . 1 1 12 12 TRP HA H 1 5.416 0.003 . 1 . . . . 483 TRP HA . 17529 1 50 . 1 1 12 12 TRP HB2 H 1 3.132 0.000 . 2 . . . . 483 TRP HB2 . 17529 1 51 . 1 1 12 12 TRP HB3 H 1 2.805 0.000 . 2 . . . . 483 TRP HB3 . 17529 1 52 . 1 1 12 12 TRP HD1 H 1 6.803 0.000 . 1 . . . . 483 TRP HD1 . 17529 1 53 . 1 1 12 12 TRP HE1 H 1 10.020 0.000 . 1 . . . . 483 TRP HE1 . 17529 1 54 . 1 1 12 12 TRP HE3 H 1 6.620 0.002 . 1 . . . . 483 TRP HE3 . 17529 1 55 . 1 1 12 12 TRP HZ2 H 1 7.160 0.000 . 1 . . . . 483 TRP HZ2 . 17529 1 56 . 1 1 12 12 TRP HZ3 H 1 7.136 0.001 . 1 . . . . 483 TRP HZ3 . 17529 1 57 . 1 1 12 12 TRP HH2 H 1 6.870 0.000 . 1 . . . . 483 TRP HH2 . 17529 1 58 . 1 1 12 12 TRP CA C 13 52.050 0.000 . 1 . . . . 483 TRP CA . 17529 1 59 . 1 1 12 12 TRP CB C 13 26.254 0.052 . 1 . . . . 483 TRP CB . 17529 1 60 . 1 1 12 12 TRP N N 15 118.901 0.000 . 1 . . . . 483 TRP N . 17529 1 61 . 1 1 13 13 GLU H H 1 9.355 0.001 . 1 . . . . 484 GLU HN . 17529 1 62 . 1 1 13 13 GLU HA H 1 4.625 0.000 . 1 . . . . 484 GLU HA . 17529 1 63 . 1 1 13 13 GLU HB2 H 1 2.014 0.007 . 2 . . . . 484 GLU HB2 . 17529 1 64 . 1 1 13 13 GLU HB3 H 1 1.921 0.001 . 2 . . . . 484 GLU HB3 . 17529 1 65 . 1 1 13 13 GLU HG2 H 1 2.155 0.003 . 2 . . . . 484 GLU HG2 . 17529 1 66 . 1 1 13 13 GLU HG3 H 1 2.142 0.009 . 2 . . . . 484 GLU HG3 . 17529 1 67 . 1 1 13 13 GLU CA C 13 49.419 0.000 . 1 . . . . 484 GLU CA . 17529 1 68 . 1 1 13 13 GLU CB C 13 28.910 0.000 . 1 . . . . 484 GLU CB . 17529 1 69 . 1 1 13 13 GLU N N 15 120.715 0.000 . 1 . . . . 484 GLU N . 17529 1 70 . 1 1 14 14 MET H H 1 8.918 0.001 . 1 . . . . 485 MET HN . 17529 1 71 . 1 1 14 14 MET HA H 1 4.548 0.000 . 1 . . . . 485 MET HA . 17529 1 72 . 1 1 14 14 MET HB2 H 1 1.743 0.003 . 2 . . . . 485 MET HB2 . 17529 1 73 . 1 1 14 14 MET HB3 H 1 1.607 0.004 . 2 . . . . 485 MET HB3 . 17529 1 74 . 1 1 14 14 MET HG2 H 1 1.893 0.010 . 2 . . . . 485 MET HG2 . 17529 1 75 . 1 1 14 14 MET HG3 H 1 1.822 0.004 . 2 . . . . 485 MET HG3 . 17529 1 76 . 1 1 14 14 MET CA C 13 49.484 0.000 . 1 . . . . 485 MET CA . 17529 1 77 . 1 1 14 14 MET CB C 13 29.231 0.000 . 1 . . . . 485 MET CB . 17529 1 78 . 1 1 15 15 ARG H H 1 8.280 0.000 . 1 . . . . 486 ARG HN . 17529 1 79 . 1 1 15 15 ARG HA H 1 4.074 0.000 . 1 . . . . 486 ARG HA . 17529 1 80 . 1 1 15 15 ARG HB2 H 1 2.371 0.000 . 2 . . . . 486 ARG HB2 . 17529 1 81 . 1 1 15 15 ARG HB3 H 1 -0.510 0.000 . 2 . . . . 486 ARG HB3 . 17529 1 82 . 1 1 15 15 ARG HG2 H 1 1.238 0.001 . 2 . . . . 486 ARG HG2 . 17529 1 83 . 1 1 15 15 ARG HG3 H 1 0.847 0.000 . 2 . . . . 486 ARG HG3 . 17529 1 84 . 1 1 15 15 ARG HD2 H 1 1.105 0.000 . 2 . . . . 486 ARG HD2 . 17529 1 85 . 1 1 15 15 ARG HD3 H 1 0.998 0.000 . 2 . . . . 486 ARG HD3 . 17529 1 86 . 1 1 15 15 ARG HE H 1 7.958 0.000 . 1 . . . . 486 ARG HE . 17529 1 87 . 1 1 15 15 ARG CA C 13 48.315 0.097 . 1 . . . . 486 ARG CA . 17529 1 88 . 1 1 15 15 ARG CB C 13 27.892 0.011 . 1 . . . . 486 ARG CB . 17529 1 89 . 1 1 15 15 ARG N N 15 127.065 0.000 . 1 . . . . 486 ARG N . 17529 1 90 . 1 1 16 16 ILE H H 1 7.868 0.000 . 1 . . . . 487 ILE HN . 17529 1 91 . 1 1 16 16 ILE HA H 1 5.007 0.002 . 1 . . . . 487 ILE HA . 17529 1 92 . 1 1 16 16 ILE HB H 1 1.495 0.000 . 1 . . . . 487 ILE HB . 17529 1 93 . 1 1 16 16 ILE HG12 H 1 0.667 0.000 . 2 . . . . 487 ILE HG12 . 17529 1 94 . 1 1 16 16 ILE HG13 H 1 1.098 0.000 . 2 . . . . 487 ILE HG13 . 17529 1 95 . 1 1 16 16 ILE CA C 13 54.236 0.057 . 1 . . . . 487 ILE CA . 17529 1 96 . 1 1 16 16 ILE CB C 13 31.975 0.045 . 1 . . . . 487 ILE CB . 17529 1 97 . 1 1 16 16 ILE N N 15 118.424 0.000 . 1 . . . . 487 ILE N . 17529 1 98 . 1 1 17 17 ALA H H 1 8.647 0.000 . 1 . . . . 488 ALA HN . 17529 1 99 . 1 1 17 17 ALA HA H 1 4.094 0.004 . 1 . . . . 488 ALA HA . 17529 1 100 . 1 1 17 17 ALA CA C 13 46.304 0.000 . 1 . . . . 488 ALA CA . 17529 1 101 . 1 1 17 17 ALA CB C 13 12.023 0.000 . 1 . . . . 488 ALA CB . 17529 1 102 . 1 1 17 17 ALA N N 15 130.688 0.000 . 1 . . . . 488 ALA N . 17529 1 103 . 1 1 18 18 PRO HA H 1 4.248 0.000 . 1 . . . . 489 PRO HA . 17529 1 104 . 1 1 18 18 PRO HB2 H 1 2.038 0.000 . 2 . . . . 489 PRO HB2 . 17529 1 105 . 1 1 18 18 PRO HB3 H 1 1.686 0.223 . 2 . . . . 489 PRO HB3 . 17529 1 106 . 1 1 18 18 PRO HG2 H 1 1.699 0.000 . 2 . . . . 489 PRO HG2 . 17529 1 107 . 1 1 18 18 PRO HG3 H 1 1.639 0.000 . 2 . . . . 489 PRO HG3 . 17529 1 108 . 1 1 18 18 PRO HD2 H 1 3.587 0.003 . 2 . . . . 489 PRO HD2 . 17529 1 109 . 1 1 18 18 PRO HD3 H 1 3.354 0.000 . 2 . . . . 489 PRO HD3 . 17529 1 110 . 1 1 18 18 PRO CA C 13 60.176 0.000 . 1 . . . . 489 PRO CA . 17529 1 111 . 1 1 18 18 PRO CB C 13 25.737 0.000 . 1 . . . . 489 PRO CB . 17529 1 112 . 1 1 19 19 ASN H H 1 7.295 0.000 . 1 . . . . 490 ASN HN . 17529 1 113 . 1 1 19 19 ASN HA H 1 4.409 0.000 . 1 . . . . 490 ASN HA . 17529 1 114 . 1 1 19 19 ASN HB2 H 1 3.035 0.000 . 2 . . . . 490 ASN HB2 . 17529 1 115 . 1 1 19 19 ASN HB3 H 1 2.638 0.000 . 2 . . . . 490 ASN HB3 . 17529 1 116 . 1 1 19 19 ASN HD21 H 1 7.335 0.000 . 2 . . . . 490 ASN HD21 . 17529 1 117 . 1 1 19 19 ASN HD22 H 1 5.906 0.003 . 2 . . . . 490 ASN HD22 . 17529 1 118 . 1 1 19 19 ASN CA C 13 47.241 0.011 . 1 . . . . 490 ASN CA . 17529 1 119 . 1 1 19 19 ASN CB C 13 31.665 0.046 . 1 . . . . 490 ASN CB . 17529 1 120 . 1 1 19 19 ASN N N 15 111.491 0.000 . 1 . . . . 490 ASN N . 17529 1 121 . 1 1 20 20 GLY H H 1 8.371 0.000 . 1 . . . . 491 GLY HN . 17529 1 122 . 1 1 20 20 GLY HA2 H 1 3.302 0.000 . 2 . . . . 491 GLY HA2 . 17529 1 123 . 1 1 20 20 GLY HA3 H 1 4.063 0.000 . 2 . . . . 491 GLY HA3 . 17529 1 124 . 1 1 20 20 GLY CA C 13 39.511 0.002 . 1 . . . . 491 GLY CA . 17529 1 125 . 1 1 20 20 GLY N N 15 108.623 0.000 . 1 . . . . 491 GLY N . 17529 1 126 . 1 1 21 21 ARG H H 1 7.477 0.000 . 1 . . . . 492 ARG HN . 17529 1 127 . 1 1 21 21 ARG HA H 1 4.518 0.000 . 1 . . . . 492 ARG HA . 17529 1 128 . 1 1 21 21 ARG HB2 H 1 1.831 0.006 . 2 . . . . 492 ARG HB2 . 17529 1 129 . 1 1 21 21 ARG HB3 H 1 1.633 0.000 . 2 . . . . 492 ARG HB3 . 17529 1 130 . 1 1 21 21 ARG HG2 H 1 1.541 0.004 . 2 . . . . 492 ARG HG2 . 17529 1 131 . 1 1 21 21 ARG HG3 H 1 1.375 0.000 . 2 . . . . 492 ARG HG3 . 17529 1 132 . 1 1 21 21 ARG HD2 H 1 2.554 0.004 . 2 . . . . 492 ARG HD2 . 17529 1 133 . 1 1 21 21 ARG HD3 H 1 2.060 0.000 . 2 . . . . 492 ARG HD3 . 17529 1 134 . 1 1 21 21 ARG HE H 1 6.753 0.001 . 1 . . . . 492 ARG HE . 17529 1 135 . 1 1 21 21 ARG CA C 13 48.722 0.000 . 1 . . . . 492 ARG CA . 17529 1 136 . 1 1 21 21 ARG CB C 13 25.583 0.000 . 1 . . . . 492 ARG CB . 17529 1 137 . 1 1 21 21 ARG N N 15 122.915 0.000 . 1 . . . . 492 ARG N . 17529 1 138 . 1 1 22 22 PRO HA H 1 4.182 0.003 . 1 . . . . 493 PRO HA . 17529 1 139 . 1 1 22 22 PRO HB2 H 1 1.553 0.000 . 2 . . . . 493 PRO HB2 . 17529 1 140 . 1 1 22 22 PRO HB3 H 1 1.497 0.000 . 2 . . . . 493 PRO HB3 . 17529 1 141 . 1 1 22 22 PRO HG2 H 1 1.252 0.017 . 2 . . . . 493 PRO HG2 . 17529 1 142 . 1 1 22 22 PRO HG3 H 1 1.829 0.000 . 2 . . . . 493 PRO HG3 . 17529 1 143 . 1 1 22 22 PRO HD2 H 1 3.919 0.004 . 2 . . . . 493 PRO HD2 . 17529 1 144 . 1 1 22 22 PRO HD3 H 1 3.630 0.043 . 2 . . . . 493 PRO HD3 . 17529 1 145 . 1 1 22 22 PRO CA C 13 56.959 0.000 . 1 . . . . 493 PRO CA . 17529 1 146 . 1 1 22 22 PRO CB C 13 26.847 0.000 . 1 . . . . 493 PRO CB . 17529 1 147 . 1 1 23 23 PHE H H 1 8.636 0.003 . 1 . . . . 494 PHE HN . 17529 1 148 . 1 1 23 23 PHE HA H 1 4.581 0.005 . 1 . . . . 494 PHE HA . 17529 1 149 . 1 1 23 23 PHE HB2 H 1 2.624 0.002 . 2 . . . . 494 PHE HB2 . 17529 1 150 . 1 1 23 23 PHE HB3 H 1 2.273 0.007 . 2 . . . . 494 PHE HB3 . 17529 1 151 . 1 1 23 23 PHE HD1 H 1 6.680 0.000 . 3 . . . . 494 PHE QD . 17529 1 152 . 1 1 23 23 PHE HD2 H 1 6.680 0.000 . 3 . . . . 494 PHE QD . 17529 1 153 . 1 1 23 23 PHE HE1 H 1 6.872 0.001 . 3 . . . . 494 PHE QE . 17529 1 154 . 1 1 23 23 PHE HE2 H 1 6.872 0.001 . 3 . . . . 494 PHE QE . 17529 1 155 . 1 1 23 23 PHE HZ H 1 7.056 0.000 . 1 . . . . 494 PHE HZ . 17529 1 156 . 1 1 23 23 PHE CA C 13 50.319 0.000 . 1 . . . . 494 PHE CA . 17529 1 157 . 1 1 23 23 PHE CB C 13 34.413 0.078 . 1 . . . . 494 PHE CB . 17529 1 158 . 1 1 23 23 PHE N N 15 117.409 0.000 . 1 . . . . 494 PHE N . 17529 1 159 . 1 1 24 24 PHE H H 1 8.794 0.000 . 1 . . . . 495 PHE HN . 17529 1 160 . 1 1 24 24 PHE HA H 1 5.167 0.002 . 1 . . . . 495 PHE HA . 17529 1 161 . 1 1 24 24 PHE HB2 H 1 3.014 0.031 . 2 . . . . 495 PHE HB2 . 17529 1 162 . 1 1 24 24 PHE HB3 H 1 2.927 0.003 . 2 . . . . 495 PHE HB3 . 17529 1 163 . 1 1 24 24 PHE HD1 H 1 6.840 0.002 . 3 . . . . 495 PHE QD . 17529 1 164 . 1 1 24 24 PHE HD2 H 1 6.840 0.002 . 3 . . . . 495 PHE QD . 17529 1 165 . 1 1 24 24 PHE HE1 H 1 6.564 0.000 . 3 . . . . 495 PHE QE . 17529 1 166 . 1 1 24 24 PHE HE2 H 1 6.564 0.000 . 3 . . . . 495 PHE QE . 17529 1 167 . 1 1 24 24 PHE HZ H 1 6.795 0.008 . 1 . . . . 495 PHE HZ . 17529 1 168 . 1 1 24 24 PHE CA C 13 51.973 0.000 . 1 . . . . 495 PHE CA . 17529 1 169 . 1 1 24 24 PHE CB C 13 36.728 0.079 . 1 . . . . 495 PHE CB . 17529 1 170 . 1 1 24 24 PHE N N 15 117.038 0.000 . 1 . . . . 495 PHE N . 17529 1 171 . 1 1 25 25 TYR H H 1 9.086 0.000 . 1 . . . . 496 TYR HN . 17529 1 172 . 1 1 25 25 TYR HA H 1 4.971 0.000 . 1 . . . . 496 TYR HA . 17529 1 173 . 1 1 25 25 TYR HB2 H 1 2.279 0.000 . 2 . . . . 496 TYR HB2 . 17529 1 174 . 1 1 25 25 TYR HB3 H 1 2.261 0.000 . 2 . . . . 496 TYR HB3 . 17529 1 175 . 1 1 25 25 TYR HD1 H 1 6.213 0.000 . 3 . . . . 496 TYR QD . 17529 1 176 . 1 1 25 25 TYR HD2 H 1 6.213 0.000 . 3 . . . . 496 TYR QD . 17529 1 177 . 1 1 25 25 TYR HE1 H 1 5.846 0.003 . 3 . . . . 496 TYR QE . 17529 1 178 . 1 1 25 25 TYR HE2 H 1 5.846 0.003 . 3 . . . . 496 TYR QE . 17529 1 179 . 1 1 25 25 TYR CA C 13 50.967 0.000 . 1 . . . . 496 TYR CA . 17529 1 180 . 1 1 25 25 TYR CB C 13 36.033 0.075 . 1 . . . . 496 TYR CB . 17529 1 181 . 1 1 25 25 TYR N N 15 123.399 0.000 . 1 . . . . 496 TYR N . 17529 1 182 . 1 1 26 26 ASP H H 1 7.535 0.000 . 1 . . . . 497 ASP HN . 17529 1 183 . 1 1 26 26 ASP HA H 1 3.527 0.000 . 1 . . . . 497 ASP HA . 17529 1 184 . 1 1 26 26 ASP HB2 H 1 1.422 0.000 . 2 . . . . 497 ASP HB2 . 17529 1 185 . 1 1 26 26 ASP HB3 H 1 -0.362 0.000 . 2 . . . . 497 ASP HB3 . 17529 1 186 . 1 1 26 26 ASP CA C 13 45.627 0.000 . 1 . . . . 497 ASP CA . 17529 1 187 . 1 1 26 26 ASP CB C 13 38.146 5.345 . 1 . . . . 497 ASP CB . 17529 1 188 . 1 1 26 26 ASP N N 15 125.640 0.000 . 1 . . . . 497 ASP N . 17529 1 189 . 1 1 27 27 HIS H H 1 8.678 0.000 . 1 . . . . 498 HIS HN . 17529 1 190 . 1 1 27 27 HIS HA H 1 3.603 0.000 . 1 . . . . 498 HIS HA . 17529 1 191 . 1 1 27 27 HIS HB2 H 1 2.998 0.000 . 2 . . . . 498 HIS HB2 . 17529 1 192 . 1 1 27 27 HIS HB3 H 1 2.815 0.000 . 2 . . . . 498 HIS HB3 . 17529 1 193 . 1 1 27 27 HIS HD2 H 1 6.208 0.000 . 1 . . . . 498 HIS HD2 . 17529 1 194 . 1 1 27 27 HIS HE1 H 1 6.910 0.000 . 1 . . . . 498 HIS HE1 . 17529 1 195 . 1 1 27 27 HIS CA C 13 53.714 0.116 . 1 . . . . 498 HIS CA . 17529 1 196 . 1 1 27 27 HIS CB C 13 24.925 0.116 . 1 . . . . 498 HIS CB . 17529 1 197 . 1 1 27 27 HIS N N 15 123.495 0.000 . 1 . . . . 498 HIS N . 17529 1 198 . 1 1 28 28 ASN H H 1 7.914 0.000 . 1 . . . . 499 ASN HN . 17529 1 199 . 1 1 28 28 ASN HA H 1 4.205 0.003 . 1 . . . . 499 ASN HA . 17529 1 200 . 1 1 28 28 ASN HB2 H 1 2.883 0.006 . 2 . . . . 499 ASN HB2 . 17529 1 201 . 1 1 28 28 ASN HB3 H 1 2.491 0.005 . 2 . . . . 499 ASN HB3 . 17529 1 202 . 1 1 28 28 ASN HD21 H 1 7.869 0.009 . 2 . . . . 499 ASN HD21 . 17529 1 203 . 1 1 28 28 ASN HD22 H 1 6.881 0.096 . 2 . . . . 499 ASN HD22 . 17529 1 204 . 1 1 28 28 ASN CA C 13 50.851 0.038 . 1 . . . . 499 ASN CA . 17529 1 205 . 1 1 28 28 ASN CB C 13 32.974 0.038 . 1 . . . . 499 ASN CB . 17529 1 206 . 1 1 28 28 ASN N N 15 115.210 0.000 . 1 . . . . 499 ASN N . 17529 1 207 . 1 1 29 29 THR H H 1 6.324 0.000 . 1 . . . . 500 THR HN . 17529 1 208 . 1 1 29 29 THR HA H 1 4.025 0.000 . 1 . . . . 500 THR HA . 17529 1 209 . 1 1 29 29 THR CA C 13 55.842 0.000 . 1 . . . . 500 THR CA . 17529 1 210 . 1 1 29 29 THR CB C 13 65.438 0.000 . 1 . . . . 500 THR CB . 17529 1 211 . 1 1 29 29 THR N N 15 104.680 0.000 . 1 . . . . 500 THR N . 17529 1 212 . 1 1 30 30 LYS H H 1 7.801 0.001 . 1 . . . . 501 LYS HN . 17529 1 213 . 1 1 30 30 LYS HA H 1 3.343 0.000 . 1 . . . . 501 LYS HA . 17529 1 214 . 1 1 30 30 LYS HB2 H 1 1.931 0.000 . 2 . . . . 501 LYS HB2 . 17529 1 215 . 1 1 30 30 LYS HB3 H 1 1.673 0.000 . 2 . . . . 501 LYS HB3 . 17529 1 216 . 1 1 30 30 LYS HG2 H 1 1.393 0.000 . 2 . . . . 501 LYS HG2 . 17529 1 217 . 1 1 30 30 LYS HG3 H 1 1.066 0.000 . 2 . . . . 501 LYS HG3 . 17529 1 218 . 1 1 30 30 LYS HD2 H 1 1.008 0.003 . 2 . . . . 501 LYS HD2 . 17529 1 219 . 1 1 30 30 LYS HE2 H 1 2.758 0.000 . 2 . . . . 501 LYS HE2 . 17529 1 220 . 1 1 31 31 THR H H 1 6.610 0.006 . 1 . . . . 502 THR HN . 17529 1 221 . 1 1 31 31 THR HA H 1 4.253 0.000 . 1 . . . . 502 THR HA . 17529 1 222 . 1 1 31 31 THR HB H 1 3.639 0.000 . 1 . . . . 502 THR HB . 17529 1 223 . 1 1 32 32 THR H H 1 8.117 0.000 . 1 . . . . 503 THR HN . 17529 1 224 . 1 1 32 32 THR HA H 1 5.218 0.001 . 1 . . . . 503 THR HA . 17529 1 225 . 1 1 32 32 THR HB H 1 3.688 0.000 . 1 . . . . 503 THR HB . 17529 1 226 . 1 1 32 32 THR CA C 13 54.913 0.000 . 1 . . . . 503 THR CA . 17529 1 227 . 1 1 32 32 THR CB C 13 65.516 0.000 . 1 . . . . 503 THR CB . 17529 1 228 . 1 1 33 33 THR H H 1 9.048 0.000 . 1 . . . . 504 THR HN . 17529 1 229 . 1 1 33 33 THR HA H 1 4.640 0.000 . 1 . . . . 504 THR HA . 17529 1 230 . 1 1 33 33 THR HB H 1 4.152 0.000 . 1 . . . . 504 THR HB . 17529 1 231 . 1 1 33 33 THR CA C 13 57.545 0.001 . 1 . . . . 504 THR CA . 17529 1 232 . 1 1 33 33 THR CB C 13 64.200 0.000 . 1 . . . . 504 THR CB . 17529 1 233 . 1 1 34 34 TRP H H 1 8.651 0.000 . 1 . . . . 505 TRP HN . 17529 1 234 . 1 1 34 34 TRP HA H 1 4.905 0.001 . 1 . . . . 505 TRP HA . 17529 1 235 . 1 1 34 34 TRP HB2 H 1 3.499 0.000 . 2 . . . . 505 TRP HB2 . 17529 1 236 . 1 1 34 34 TRP HB3 H 1 2.972 0.000 . 2 . . . . 505 TRP HB3 . 17529 1 237 . 1 1 34 34 TRP HD1 H 1 7.161 0.000 . 1 . . . . 505 TRP HD1 . 17529 1 238 . 1 1 34 34 TRP HE1 H 1 9.911 0.000 . 1 . . . . 505 TRP HE1 . 17529 1 239 . 1 1 34 34 TRP HE3 H 1 8.007 0.000 . 1 . . . . 505 TRP HE3 . 17529 1 240 . 1 1 34 34 TRP HZ2 H 1 7.067 0.000 . 1 . . . . 505 TRP HZ2 . 17529 1 241 . 1 1 34 34 TRP HZ3 H 1 6.795 0.000 . 1 . . . . 505 TRP HZ3 . 17529 1 242 . 1 1 34 34 TRP HH2 H 1 6.744 0.000 . 1 . . . . 505 TRP HH2 . 17529 1 243 . 1 1 34 34 TRP CA C 13 53.003 0.130 . 1 . . . . 505 TRP CA . 17529 1 244 . 1 1 34 34 TRP CB C 13 25.082 0.000 . 1 . . . . 505 TRP CB . 17529 1 245 . 1 1 35 35 GLU H H 1 8.419 0.000 . 1 . . . . 506 GLU HN . 17529 1 246 . 1 1 35 35 GLU HA H 1 4.063 0.000 . 1 . . . . 506 GLU HA . 17529 1 247 . 1 1 35 35 GLU HB2 H 1 1.905 0.000 . 2 . . . . 506 GLU HB2 . 17529 1 248 . 1 1 35 35 GLU HB3 H 1 1.669 0.000 . 2 . . . . 506 GLU HB3 . 17529 1 249 . 1 1 35 35 GLU HG2 H 1 2.019 0.000 . 2 . . . . 506 GLU HG2 . 17529 1 250 . 1 1 35 35 GLU HG3 H 1 2.212 0.000 . 2 . . . . 506 GLU HG3 . 17529 1 251 . 1 1 35 35 GLU CA C 13 50.654 0.039 . 1 . . . . 506 GLU CA . 17529 1 252 . 1 1 35 35 GLU CB C 13 24.264 0.038 . 1 . . . . 506 GLU CB . 17529 1 253 . 1 1 35 35 GLU N N 15 120.967 0.000 . 1 . . . . 506 GLU N . 17529 1 254 . 1 1 36 36 ASP H H 1 7.941 0.000 . 1 . . . . 507 ASP HN . 17529 1 255 . 1 1 36 36 ASP HA H 1 2.171 0.116 . 1 . . . . 507 ASP HA . 17529 1 256 . 1 1 36 36 ASP HB2 H 1 2.408 0.000 . 2 . . . . 507 ASP HB2 . 17529 1 257 . 1 1 36 36 ASP HB3 H 1 2.338 0.000 . 2 . . . . 507 ASP HB3 . 17529 1 258 . 1 1 36 36 ASP CA C 13 45.399 0.000 . 1 . . . . 507 ASP CA . 17529 1 259 . 1 1 36 36 ASP CB C 13 35.902 0.000 . 1 . . . . 507 ASP CB . 17529 1 260 . 1 1 36 36 ASP N N 15 125.451 0.000 . 1 . . . . 507 ASP N . 17529 1 261 . 1 1 37 37 PRO HA H 1 3.683 0.000 . 1 . . . . 508 PRO HA . 17529 1 262 . 1 1 37 37 PRO HB2 H 1 0.421 0.005 . 2 . . . . 508 PRO HB2 . 17529 1 263 . 1 1 37 37 PRO HB3 H 1 0.482 0.019 . 2 . . . . 508 PRO HB3 . 17529 1 264 . 1 1 37 37 PRO HG2 H 1 0.601 0.000 . 2 . . . . 508 PRO HG2 . 17529 1 265 . 1 1 37 37 PRO HG3 H 1 0.174 0.004 . 2 . . . . 508 PRO HG3 . 17529 1 266 . 1 1 37 37 PRO HD2 H 1 2.611 0.000 . 2 . . . . 508 PRO HD2 . 17529 1 267 . 1 1 37 37 PRO HD3 H 1 2.408 0.039 . 2 . . . . 508 PRO HD3 . 17529 1 268 . 1 1 37 37 PRO CA C 13 58.010 0.000 . 1 . . . . 508 PRO CA . 17529 1 269 . 1 1 37 37 PRO CB C 13 24.381 0.000 . 1 . . . . 508 PRO CB . 17529 1 270 . 1 1 38 38 ARG H H 1 7.061 0.000 . 1 . . . . 509 ARG HN . 17529 1 271 . 1 1 38 38 ARG HA H 1 3.898 0.000 . 1 . . . . 509 ARG HA . 17529 1 272 . 1 1 38 38 ARG HB2 H 1 1.361 0.044 . 2 . . . . 509 ARG HB2 . 17529 1 273 . 1 1 38 38 ARG HB3 H 1 1.211 0.002 . 2 . . . . 509 ARG HB3 . 17529 1 274 . 1 1 38 38 ARG HG2 H 1 0.687 0.006 . 2 . . . . 509 ARG HG2 . 17529 1 275 . 1 1 38 38 ARG HG3 H 1 0.535 0.005 . 2 . . . . 509 ARG HG3 . 17529 1 276 . 1 1 38 38 ARG HD2 H 1 2.387 0.001 . 2 . . . . 509 ARG HD2 . 17529 1 277 . 1 1 38 38 ARG HD3 H 1 2.099 0.002 . 2 . . . . 509 ARG HD3 . 17529 1 278 . 1 1 38 38 ARG HE H 1 8.071 0.000 . 1 . . . . 509 ARG HE . 17529 1 279 . 1 1 38 38 ARG CA C 13 52.327 0.077 . 1 . . . . 509 ARG CA . 17529 1 280 . 1 1 38 38 ARG CB C 13 23.564 0.039 . 1 . . . . 509 ARG CB . 17529 1 281 . 1 1 39 39 LEU H H 1 7.029 0.000 . 1 . . . . 510 LEU HN . 17529 1 282 . 1 1 39 39 LEU HA H 1 3.522 0.001 . 1 . . . . 510 LEU HA . 17529 1 283 . 1 1 39 39 LEU HB2 H 1 1.199 0.000 . 2 . . . . 510 LEU HB2 . 17529 1 284 . 1 1 39 39 LEU HG H 1 1.024 0.000 . 1 . . . . 510 LEU HG . 17529 1 285 . 1 1 39 39 LEU CA C 13 49.759 0.000 . 1 . . . . 510 LEU CA . 17529 1 286 . 1 1 39 39 LEU CB C 13 35.357 0.000 . 1 . . . . 510 LEU CB . 17529 1 287 . 1 1 39 39 LEU N N 15 117.237 0.000 . 1 . . . . 510 LEU N . 17529 1 288 . 1 1 40 40 LYS H H 1 7.003 0.000 . 1 . . . . 511 LYS HN . 17529 1 289 . 1 1 40 40 LYS HA H 1 4.042 0.000 . 1 . . . . 511 LYS HA . 17529 1 290 . 1 1 40 40 LYS HB2 H 1 1.231 0.000 . 2 . . . . 511 LYS HB2 . 17529 1 291 . 1 1 40 40 LYS HB3 H 1 1.279 0.000 . 2 . . . . 511 LYS HB3 . 17529 1 292 . 1 1 40 40 LYS HG2 H 1 1.526 0.000 . 2 . . . . 511 LYS HG2 . 17529 1 293 . 1 1 40 40 LYS HD2 H 1 0.959 0.000 . 2 . . . . 511 LYS HD2 . 17529 1 294 . 1 1 40 40 LYS HD3 H 1 1.041 0.008 . 2 . . . . 511 LYS HD3 . 17529 1 295 . 1 1 40 40 LYS HE2 H 1 2.640 0.000 . 2 . . . . 511 LYS HE2 . 17529 1 296 . 1 1 40 40 LYS CA C 13 53.142 0.001 . 1 . . . . 511 LYS CA . 17529 1 297 . 1 1 40 40 LYS CB C 13 27.310 0.000 . 1 . . . . 511 LYS CB . 17529 1 298 . 1 1 40 40 LYS N N 15 118.363 0.000 . 1 . . . . 511 LYS N . 17529 1 299 . 1 1 41 41 PHE H H 1 7.640 0.000 . 1 . . . . 512 PHE HN . 17529 1 300 . 1 1 41 41 PHE HA H 1 4.373 0.040 . 1 . . . . 512 PHE HA . 17529 1 301 . 1 1 41 41 PHE HB2 H 1 2.889 0.000 . 2 . . . . 512 PHE HB2 . 17529 1 302 . 1 1 41 41 PHE HB3 H 1 2.613 0.000 . 2 . . . . 512 PHE HB3 . 17529 1 303 . 1 1 41 41 PHE HD1 H 1 7.010 0.001 . 3 . . . . 512 PHE QD . 17529 1 304 . 1 1 41 41 PHE HD2 H 1 7.010 0.001 . 3 . . . . 512 PHE QD . 17529 1 305 . 1 1 41 41 PHE HE1 H 1 7.064 0.004 . 3 . . . . 512 PHE QE . 17529 1 306 . 1 1 41 41 PHE HE2 H 1 7.064 0.004 . 3 . . . . 512 PHE QE . 17529 1 307 . 1 1 41 41 PHE HZ H 1 6.850 0.000 . 1 . . . . 512 PHE HZ . 17529 1 308 . 1 1 41 41 PHE CA C 13 49.412 0.004 . 1 . . . . 512 PHE CA . 17529 1 309 . 1 1 41 41 PHE N N 15 120.502 0.000 . 1 . . . . 512 PHE N . 17529 1 310 . 1 1 42 42 PRO HA H 1 4.195 0.000 . 1 . . . . 513 PRO HA . 17529 1 311 . 1 1 42 42 PRO HB2 H 1 1.982 0.000 . 2 . . . . 513 PRO HB2 . 17529 1 312 . 1 1 42 42 PRO HB3 H 1 1.710 0.000 . 2 . . . . 513 PRO HB3 . 17529 1 313 . 1 1 42 42 PRO HG2 H 1 1.577 0.000 . 2 . . . . 513 PRO HG2 . 17529 1 314 . 1 1 42 42 PRO HD2 H 1 3.404 0.001 . 2 . . . . 513 PRO HD2 . 17529 1 315 . 1 1 42 42 PRO HD3 H 1 3.284 0.002 . 2 . . . . 513 PRO HD3 . 17529 1 316 . 1 1 43 43 VAL H H 1 7.900 0.001 . 1 . . . . 514 VAL HN . 17529 1 317 . 1 1 43 43 VAL HA H 1 3.966 0.000 . 1 . . . . 514 VAL HA . 17529 1 318 . 1 1 43 43 VAL HB H 1 1.195 0.000 . 1 . . . . 514 VAL HB . 17529 1 319 . 1 1 43 43 VAL CA C 13 56.742 0.000 . 1 . . . . 514 VAL CA . 17529 1 320 . 1 1 43 43 VAL CB C 13 26.699 0.000 . 1 . . . . 514 VAL CB . 17529 1 321 . 1 1 44 44 HIS H H 1 7.707 0.000 . 1 . . . . 515 HIS HN . 17529 1 322 . 1 1 44 44 HIS HA H 1 4.256 0.000 . 1 . . . . 515 HIS HA . 17529 1 323 . 1 1 44 44 HIS HB2 H 1 2.703 0.000 . 2 . . . . 515 HIS HB2 . 17529 1 324 . 1 1 44 44 HIS HB3 H 1 2.570 0.000 . 2 . . . . 515 HIS HB3 . 17529 1 325 . 1 1 44 44 HIS HD1 H 1 6.525 0.001 . 1 . . . . 515 HIS HD1 . 17529 1 326 . 1 1 44 44 HIS HD2 H 1 6.524 0.000 . 1 . . . . 515 HIS HD2 . 17529 1 327 . 1 1 44 44 HIS HE1 H 1 6.968 0.005 . 1 . . . . 515 HIS HE1 . 17529 1 328 . 1 1 44 44 HIS CA C 13 51.256 0.000 . 1 . . . . 515 HIS CA . 17529 1 329 . 1 1 44 44 HIS CB C 13 25.011 0.000 . 1 . . . . 515 HIS CB . 17529 1 330 . 1 1 44 44 HIS N N 15 126.803 0.000 . 1 . . . . 515 HIS N . 17529 1 331 . 2 2 1 1 ALA HA H 1 4.064 0.000 . 1 . . . B 202 ALA HA . 17529 1 332 . 2 2 1 1 ALA H H 1 8.193 0.000 . 1 . . . B 202 ALA H1 . 17529 1 333 . 2 2 2 2 GLY H H 1 8.229 0.002 . 1 . . . B 203 GLY H . 17529 1 334 . 2 2 3 3 SEP H H 1 7.986 0.002 . 1 . . . B 204 SEP H . 17529 1 335 . 2 2 3 3 SEP HA H 1 4.515 0.001 . 1 . . . B 204 SEP HA . 17529 1 336 . 2 2 3 3 SEP HB2 H 1 3.641 0.009 . 1 . . . B 204 SEP HB2 . 17529 1 337 . 2 2 3 3 SEP HB3 H 1 3.601 0.001 . 1 . . . B 204 SEP HB3 . 17529 1 338 . 2 2 4 4 PRO HA H 1 4.207 0.003 . 1 . . . B 205 PRO HA . 17529 1 339 . 2 2 5 5 ASN H H 1 8.329 0.000 . 1 . . . B 206 ASN H . 17529 1 340 . 2 2 5 5 ASN HA H 1 4.425 0.000 . 1 . . . B 206 ASN HA . 17529 1 341 . 2 2 5 5 ASN HB2 H 1 2.574 0.000 . 2 . . . B 206 ASN HB2 . 17529 1 342 . 2 2 5 5 ASN HB3 H 1 2.467 0.000 . 2 . . . B 206 ASN HB3 . 17529 1 343 . 2 2 5 5 ASN HD21 H 1 7.475 0.002 . 2 . . . B 206 ASN HD21 . 17529 1 344 . 2 2 5 5 ASN HD22 H 1 6.872 0.000 . 2 . . . B 206 ASN HD22 . 17529 1 345 . 2 2 6 6 LEU H H 1 8.113 0.003 . 1 . . . B 207 LEU H . 17529 1 346 . 2 2 6 6 LEU HA H 1 4.151 0.004 . 1 . . . B 207 LEU HA . 17529 1 347 . 2 2 6 6 LEU HB2 H 1 1.359 0.010 . 2 . . . B 207 LEU HB2 . 17529 1 348 . 2 2 7 7 SEP H H 1 8.407 0.000 . 1 . . . B 208 SEP H . 17529 1 349 . 2 2 7 7 SEP HA H 1 4.537 0.001 . 1 . . . B 208 SEP HA . 17529 1 350 . 2 2 7 7 SEP HB2 H 1 3.807 0.002 . 2 . . . B 208 SEP HB2 . 17529 1 351 . 2 2 7 7 SEP HB3 H 1 3.774 0.002 . 2 . . . B 208 SEP HB3 . 17529 1 352 . 2 2 8 8 PRO HA H 1 4.158 0.000 . 1 . . . B 209 PRO HA . 17529 1 353 . 2 2 8 8 PRO HB2 H 1 2.028 0.000 . 2 . . . B 209 PRO HB2 . 17529 1 354 . 2 2 8 8 PRO HB3 H 1 1.768 0.001 . 2 . . . B 209 PRO HB3 . 17529 1 355 . 2 2 8 8 PRO HG2 H 1 1.655 0.002 . 2 . . . B 209 PRO HG2 . 17529 1 356 . 2 2 9 9 ASN H H 1 8.291 0.000 . 1 . . . B 210 ASN H . 17529 1 357 . 2 2 9 9 ASN HA H 1 4.409 0.000 . 1 . . . B 210 ASN HA . 17529 1 358 . 2 2 9 9 ASN HB2 H 1 2.558 0.000 . 2 . . . B 210 ASN HB2 . 17529 1 359 . 2 2 9 9 ASN HB3 H 1 2.490 0.000 . 2 . . . B 210 ASN HB3 . 17529 1 stop_ save_