################################### # 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 53368 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name nGHR(543-569)-pY548 _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 '1D 1H' . . . 53368 1 3 '2D 1H-13C HSQC' . . . 53368 1 4 '2D 1H-1H TOCSY' . . . 53368 1 5 '2D 1H-1H NOESY' . . . 53368 1 6 '2D 1H-1H NOESY' . . . 53368 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53368 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 1 1 ASN H H 1 8.533 0.00 . 1 . . . . . 543 ASN H . 53368 1 2 . 1 . 1 1 1 ASN HA H 1 4.696 0.00 . 1 . . . . . 543 ASN HA . 53368 1 3 . 1 . 1 1 1 ASN HB2 H 1 2.832 0.00 . 2 . . . . . 543 ASN HB2 . 53368 1 4 . 1 . 1 1 1 ASN HB3 H 1 2.744 0.00 . 2 . . . . . 543 ASN HB3 . 53368 1 5 . 1 . 1 1 1 ASN CA C 13 53.317 0.00 . 1 . . . . . 543 ASN CA . 53368 1 6 . 1 . 1 1 1 ASN CB C 13 39.086 0.00 . 1 . . . . . 543 ASN CB . 53368 1 7 . 1 . 1 1 1 ASN N N 15 124.963 0.00 . 1 . . . . . 543 ASN N . 53368 1 8 . 1 . 1 2 2 GLN H H 1 8.711 0.00 . 1 . . . . . 544 GLN H . 53368 1 9 . 1 . 1 2 2 GLN HA H 1 4.303 0.00 . 1 . . . . . 544 GLN HA . 53368 1 10 . 1 . 1 2 2 GLN HB2 H 1 2.144 0.01 . 2 . . . . . 544 GLN HB2 . 53368 1 11 . 1 . 1 2 2 GLN HB3 H 1 2.024 0.00 . 2 . . . . . 544 GLN HB3 . 53368 1 12 . 1 . 1 2 2 GLN CA C 13 56.349 0.00 . 1 . . . . . 544 GLN CA . 53368 1 13 . 1 . 1 2 2 GLN CB C 13 29.210 0.00 . 1 . . . . . 544 GLN CB . 53368 1 14 . 1 . 1 2 2 GLN N N 15 121.534 0.00 . 1 . . . . . 544 GLN N . 53368 1 15 . 1 . 1 3 3 GLU H H 1 8.615 0.01 . 1 . . . . . 545 GLU H . 53368 1 16 . 1 . 1 3 3 GLU HA H 1 4.268 0.00 . 1 . . . . . 545 GLU HA . 53368 1 17 . 1 . 1 3 3 GLU HB2 H 1 2.057 0.00 . 2 . . . . . 545 GLU HB2 . 53368 1 18 . 1 . 1 3 3 GLU HB3 H 1 1.941 0.00 . 2 . . . . . 545 GLU HB3 . 53368 1 19 . 1 . 1 3 3 GLU CA C 13 56.868 0.00 . 1 . . . . . 545 GLU CA . 53368 1 20 . 1 . 1 3 3 GLU CB C 13 30.188 0.01 . 1 . . . . . 545 GLU CB . 53368 1 21 . 1 . 1 3 3 GLU N N 15 121.452 0.00 . 1 . . . . . 545 GLU N . 53368 1 22 . 1 . 1 4 4 ASP H H 1 8.405 0.00 . 1 . . . . . 546 ASP H . 53368 1 23 . 1 . 1 4 4 ASP HA H 1 4.617 0.00 . 1 . . . . . 546 ASP HA . 53368 1 24 . 1 . 1 4 4 ASP HB2 H 1 2.728 0.00 . 2 . . . . . 546 ASP HB2 . 53368 1 25 . 1 . 1 4 4 ASP HB3 H 1 2.619 0.00 . 2 . . . . . 546 ASP HB3 . 53368 1 26 . 1 . 1 4 4 ASP CA C 13 54.421 0.00 . 1 . . . . . 546 ASP CA . 53368 1 27 . 1 . 1 4 4 ASP CB C 13 41.011 0.00 . 1 . . . . . 546 ASP CB . 53368 1 28 . 1 . 1 4 4 ASP N N 15 121.437 0.00 . 1 . . . . . 546 ASP N . 53368 1 29 . 1 . 1 5 5 ILE H H 1 8.010 0.00 . 1 . . . . . 547 ILE H . 53368 1 30 . 1 . 1 5 5 ILE HA H 1 4.145 0.00 . 1 . . . . . 547 ILE HA . 53368 1 31 . 1 . 1 5 5 ILE HB H 1 1.786 0.03 . 1 . . . . . 547 ILE HB . 53368 1 32 . 1 . 1 5 5 ILE CA C 13 61.282 0.00 . 1 . . . . . 547 ILE CA . 53368 1 33 . 1 . 1 5 5 ILE CB C 13 38.696 0.00 . 1 . . . . . 547 ILE CB . 53368 1 34 . 1 . 1 5 5 ILE N N 15 120.709 0.00 . 1 . . . . . 547 ILE N . 53368 1 35 . 1 . 1 6 6 TYR H H 1 8.425 0.00 . 1 . . . . . 548 TYR H . 53368 1 36 . 1 . 1 6 6 TYR HA H 1 4.575 0.00 . 1 . . . . . 548 TYR HA . 53368 1 37 . 1 . 1 6 6 TYR HB2 H 1 3.037 0.01 . 2 . . . . . 548 TYR HB2 . 53368 1 38 . 1 . 1 6 6 TYR HB3 H 1 2.995 0.00 . 2 . . . . . 548 TYR HB3 . 53368 1 39 . 1 . 1 6 6 TYR CA C 13 58.153 0.00 . 1 . . . . . 548 TYR CA . 53368 1 40 . 1 . 1 6 6 TYR CB C 13 38.887 0.00 . 1 . . . . . 548 TYR CB . 53368 1 41 . 1 . 1 6 6 TYR N N 15 125.324 0.00 . 1 . . . . . 548 TYR N . 53368 1 42 . 1 . 1 7 7 ILE H H 1 8.032 0.00 . 1 . . . . . 549 ILE H . 53368 1 43 . 1 . 1 7 7 ILE HA H 1 4.121 0.00 . 1 . . . . . 549 ILE HA . 53368 1 44 . 1 . 1 7 7 ILE HB H 1 1.787 0.04 . 1 . . . . . 549 ILE HB . 53368 1 45 . 1 . 1 7 7 ILE CA C 13 60.511 0.00 . 1 . . . . . 549 ILE CA . 53368 1 46 . 1 . 1 7 7 ILE CB C 13 38.969 0.00 . 1 . . . . . 549 ILE CB . 53368 1 47 . 1 . 1 7 7 ILE N N 15 126.118 0.00 . 1 . . . . . 549 ILE N . 53368 1 48 . 1 . 1 8 8 THR H H 1 8.250 0.00 . 1 . . . . . 550 THR H . 53368 1 49 . 1 . 1 8 8 THR HA H 1 4.372 0.00 . 1 . . . . . 550 THR HA . 53368 1 50 . 1 . 1 8 8 THR HB H 1 4.283 0.00 . 1 . . . . . 550 THR HB . 53368 1 51 . 1 . 1 8 8 THR CA C 13 61.730 0.00 . 1 . . . . . 550 THR CA . 53368 1 52 . 1 . 1 8 8 THR CB C 13 69.766 0.00 . 1 . . . . . 550 THR CB . 53368 1 53 . 1 . 1 8 8 THR N N 15 119.649 0.00 . 1 . . . . . 550 THR N . 53368 1 54 . 1 . 1 9 9 THR H H 1 8.632 0.01 . 1 . . . . . 551 THR H . 53368 1 55 . 1 . 1 9 9 THR HA H 1 4.248 0.00 . 1 . . . . . 551 THR HA . 53368 1 56 . 1 . 1 9 9 THR HB H 1 4.243 0.00 . 1 . . . . . 551 THR HB . 53368 1 57 . 1 . 1 9 9 THR CA C 13 63.009 0.00 . 1 . . . . . 551 THR CA . 53368 1 58 . 1 . 1 9 9 THR CB C 13 69.554 0.00 . 1 . . . . . 551 THR CB . 53368 1 59 . 1 . 1 9 9 THR N N 15 118.507 0.00 . 1 . . . . . 551 THR N . 53368 1 60 . 1 . 1 10 10 GLU H H 1 8.616 0.00 . 1 . . . . . 552 GLU H . 53368 1 61 . 1 . 1 10 10 GLU HA H 1 4.269 0.00 . 1 . . . . . 552 GLU HA . 53368 1 62 . 1 . 1 10 10 GLU HB2 H 1 2.066 0.00 . 2 . . . . . 552 GLU HB2 . 53368 1 63 . 1 . 1 10 10 GLU HB3 H 1 1.978 0.00 . 2 . . . . . 552 GLU HB3 . 53368 1 64 . 1 . 1 10 10 GLU CA C 13 57.220 0.00 . 1 . . . . . 552 GLU CA . 53368 1 65 . 1 . 1 10 10 GLU CB C 13 30.148 0.03 . 1 . . . . . 552 GLU CB . 53368 1 66 . 1 . 1 10 10 GLU N N 15 123.770 0.00 . 1 . . . . . 552 GLU N . 53368 1 67 . 1 . 1 11 11 SER H H 1 8.420 0.00 . 1 . . . . . 553 SER H . 53368 1 68 . 1 . 1 11 11 SER HA H 1 4.406 0.00 . 1 . . . . . 553 SER HA . 53368 1 69 . 1 . 1 11 11 SER HB2 H 1 3.886 0.00 . 2 . . . . . 553 SER HB2 . 53368 1 70 . 1 . 1 11 11 SER HB3 H 1 3.886 0.00 . 2 . . . . . 553 SER HB3 . 53368 1 71 . 1 . 1 11 11 SER CA C 13 58.824 0.00 . 1 . . . . . 553 SER CA . 53368 1 72 . 1 . 1 11 11 SER CB C 13 63.583 0.00 . 1 . . . . . 553 SER CB . 53368 1 73 . 1 . 1 11 11 SER N N 15 117.376 0.00 . 1 . . . . . 553 SER N . 53368 1 74 . 1 . 1 12 12 LEU H H 1 8.379 0.00 . 1 . . . . . 554 LEU H . 53368 1 75 . 1 . 1 12 12 LEU HA H 1 4.398 0.00 . 1 . . . . . 554 LEU HA . 53368 1 76 . 1 . 1 12 12 LEU HB2 H 1 1.754 0.00 . 2 . . . . . 554 LEU HB2 . 53368 1 77 . 1 . 1 12 12 LEU HB3 H 1 1.622 0.00 . 2 . . . . . 554 LEU HB3 . 53368 1 78 . 1 . 1 12 12 LEU CA C 13 55.817 0.00 . 1 . . . . . 554 LEU CA . 53368 1 79 . 1 . 1 12 12 LEU CB C 13 42.267 0.01 . 1 . . . . . 554 LEU CB . 53368 1 80 . 1 . 1 12 12 LEU N N 15 124.250 0.00 . 1 . . . . . 554 LEU N . 53368 1 81 . 1 . 1 13 13 THR H H 1 8.226 0.00 . 1 . . . . . 555 THR H . 53368 1 82 . 1 . 1 13 13 THR HA H 1 4.367 0.00 . 1 . . . . . 555 THR HA . 53368 1 83 . 1 . 1 13 13 THR HB H 1 4.274 0.00 . 1 . . . . . 555 THR HB . 53368 1 84 . 1 . 1 13 13 THR CA C 13 62.513 0.00 . 1 . . . . . 555 THR CA . 53368 1 85 . 1 . 1 13 13 THR CB C 13 69.777 0.00 . 1 . . . . . 555 THR CB . 53368 1 86 . 1 . 1 13 13 THR N N 15 114.338 0.00 . 1 . . . . . 555 THR N . 53368 1 87 . 1 . 1 14 14 THR H H 1 8.135 0.00 . 1 . . . . . 556 THR H . 53368 1 88 . 1 . 1 14 14 THR HA H 1 4.322 0.00 . 1 . . . . . 556 THR HA . 53368 1 89 . 1 . 1 14 14 THR HB H 1 4.276 0.00 . 1 . . . . . 556 THR HB . 53368 1 90 . 1 . 1 14 14 THR CA C 13 62.269 0.00 . 1 . . . . . 556 THR CA . 53368 1 91 . 1 . 1 14 14 THR CB C 13 69.759 0.00 . 1 . . . . . 556 THR CB . 53368 1 92 . 1 . 1 14 14 THR N N 15 116.429 0.00 . 1 . . . . . 556 THR N . 53368 1 93 . 1 . 1 15 15 ALA H H 1 8.348 0.00 . 1 . . . . . 557 ALA H . 53368 1 94 . 1 . 1 15 15 ALA HA H 1 4.271 0.00 . 1 . . . . . 557 ALA HA . 53368 1 95 . 1 . 1 15 15 ALA HB1 H 1 1.414 0.00 . 1 . . . . . 557 ALA HB . 53368 1 96 . 1 . 1 15 15 ALA HB2 H 1 1.414 0.00 . 1 . . . . . 557 ALA HB . 53368 1 97 . 1 . 1 15 15 ALA HB3 H 1 1.414 0.00 . 1 . . . . . 557 ALA HB . 53368 1 98 . 1 . 1 15 15 ALA CA C 13 53.046 0.00 . 1 . . . . . 557 ALA CA . 53368 1 99 . 1 . 1 15 15 ALA CB C 13 18.988 0.00 . 1 . . . . . 557 ALA CB . 53368 1 100 . 1 . 1 15 15 ALA N N 15 126.279 0.00 . 1 . . . . . 557 ALA N . 53368 1 101 . 1 . 1 16 16 ALA H H 1 8.288 0.00 . 1 . . . . . 558 ALA H . 53368 1 102 . 1 . 1 16 16 ALA HA H 1 4.274 0.00 . 1 . . . . . 558 ALA HA . 53368 1 103 . 1 . 1 16 16 ALA HB1 H 1 1.413 0.00 . 1 . . . . . 558 ALA HB . 53368 1 104 . 1 . 1 16 16 ALA HB2 H 1 1.413 0.00 . 1 . . . . . 558 ALA HB . 53368 1 105 . 1 . 1 16 16 ALA HB3 H 1 1.413 0.00 . 1 . . . . . 558 ALA HB . 53368 1 106 . 1 . 1 16 16 ALA CA C 13 53.046 0.00 . 1 . . . . . 558 ALA CA . 53368 1 107 . 1 . 1 16 16 ALA CB C 13 18.988 0.00 . 1 . . . . . 558 ALA CB . 53368 1 108 . 1 . 1 16 16 ALA N N 15 122.807 0.00 . 1 . . . . . 558 ALA N . 53368 1 109 . 1 . 1 17 17 GLY H H 1 8.341 0.00 . 1 . . . . . 559 GLY H . 53368 1 110 . 1 . 1 17 17 GLY HA2 H 1 3.962 0.01 . 2 . . . . . 559 GLY HA2 . 53368 1 111 . 1 . 1 17 17 GLY HA3 H 1 3.952 0.01 . 2 . . . . . 559 GLY HA3 . 53368 1 112 . 1 . 1 17 17 GLY CA C 13 45.072 0.01 . 1 . . . . . 559 GLY CA . 53368 1 113 . 1 . 1 17 17 GLY N N 15 107.761 0.00 . 1 . . . . . 559 GLY N . 53368 1 114 . 1 . 1 18 18 ARG H H 1 8.191 0.00 . 1 . . . . . 560 ARG H . 53368 1 115 . 1 . 1 18 18 ARG HA H 1 4.465 0.00 . 1 . . . . . 560 ARG HA . 53368 1 116 . 1 . 1 18 18 ARG HB2 H 1 1.897 0.00 . 2 . . . . . 560 ARG HB2 . 53368 1 117 . 1 . 1 18 18 ARG HB3 H 1 1.800 0.00 . 2 . . . . . 560 ARG HB3 . 53368 1 118 . 1 . 1 18 18 ARG CA C 13 56.178 0.00 . 1 . . . . . 560 ARG CA . 53368 1 119 . 1 . 1 18 18 ARG CB C 13 30.907 0.00 . 1 . . . . . 560 ARG CB . 53368 1 120 . 1 . 1 18 18 ARG N N 15 120.669 0.00 . 1 . . . . . 560 ARG N . 53368 1 121 . 1 . 1 19 19 THR H H 1 8.364 0.00 . 1 . . . . . 561 THR H . 53368 1 122 . 1 . 1 19 19 THR HA H 1 4.395 0.00 . 1 . . . . . 561 THR HA . 53368 1 123 . 1 . 1 19 19 THR HB H 1 4.270 0.00 . 1 . . . . . 561 THR HB . 53368 1 124 . 1 . 1 19 19 THR CA C 13 62.014 0.00 . 1 . . . . . 561 THR CA . 53368 1 125 . 1 . 1 19 19 THR CB C 13 69.938 0.00 . 1 . . . . . 561 THR CB . 53368 1 126 . 1 . 1 19 19 THR N N 15 115.286 0.00 . 1 . . . . . 561 THR N . 53368 1 127 . 1 . 1 20 20 GLY H H 1 8.609 0.00 . 1 . . . . . 562 GLY H . 53368 1 128 . 1 . 1 20 20 GLY HA2 H 1 4.067 0.00 . 2 . . . . . 562 GLY HA2 . 53368 1 129 . 1 . 1 20 20 GLY HA3 H 1 4.069 0.00 . 2 . . . . . 562 GLY HA3 . 53368 1 130 . 1 . 1 20 20 GLY CA C 13 45.425 0.00 . 1 . . . . . 562 GLY CA . 53368 1 131 . 1 . 1 20 20 GLY N N 15 111.564 0.00 . 1 . . . . . 562 GLY N . 53368 1 132 . 1 . 1 21 21 THR H H 1 8.294 0.00 . 1 . . . . . 563 THR H . 53368 1 133 . 1 . 1 21 21 THR HA H 1 4.392 0.00 . 1 . . . . . 563 THR HA . 53368 1 134 . 1 . 1 21 21 THR HB H 1 4.332 0.00 . 1 . . . . . 563 THR HB . 53368 1 135 . 1 . 1 21 21 THR CA C 13 61.984 0.00 . 1 . . . . . 563 THR CA . 53368 1 136 . 1 . 1 21 21 THR CB C 13 69.827 0.00 . 1 . . . . . 563 THR CB . 53368 1 137 . 1 . 1 21 21 THR N N 15 112.911 0.00 . 1 . . . . . 563 THR N . 53368 1 138 . 1 . 1 22 22 GLY H H 1 8.576 0.00 . 1 . . . . . 564 GLY H . 53368 1 139 . 1 . 1 22 22 GLY HA2 H 1 3.981 0.06 . 2 . . . . . 564 GLY HA2 . 53368 1 140 . 1 . 1 22 22 GLY HA3 H 1 4.011 0.00 . 2 . . . . . 564 GLY HA3 . 53368 1 141 . 1 . 1 22 22 GLY CA C 13 45.318 0.08 . 1 . . . . . 564 GLY CA . 53368 1 142 . 1 . 1 22 22 GLY N N 15 111.391 0.00 . 1 . . . . . 564 GLY N . 53368 1 143 . 1 . 1 23 23 GLU H H 1 8.311 0.00 . 1 . . . . . 565 GLU H . 53368 1 144 . 1 . 1 23 23 GLU HA H 1 4.249 0.00 . 1 . . . . . 565 GLU HA . 53368 1 145 . 1 . 1 23 23 GLU HB2 H 1 1.967 0.01 . 2 . . . . . 565 GLU HB2 . 53368 1 146 . 1 . 1 23 23 GLU HB3 H 1 1.869 0.00 . 2 . . . . . 565 GLU HB3 . 53368 1 147 . 1 . 1 23 23 GLU CA C 13 56.463 0.00 . 1 . . . . . 565 GLU CA . 53368 1 148 . 1 . 1 23 23 GLU CB C 13 30.419 0.00 . 1 . . . . . 565 GLU CB . 53368 1 149 . 1 . 1 23 23 GLU N N 15 120.633 0.00 . 1 . . . . . 565 GLU N . 53368 1 150 . 1 . 1 24 24 HIS H H 1 8.597 0.00 . 1 . . . . . 566 HIS H . 53368 1 151 . 1 . 1 24 24 HIS HA H 1 4.642 0.00 . 1 . . . . . 566 HIS HA . 53368 1 152 . 1 . 1 24 24 HIS HB2 H 1 3.091 0.01 . 2 . . . . . 566 HIS HB2 . 53368 1 153 . 1 . 1 24 24 HIS HB3 H 1 3.080 0.00 . 2 . . . . . 566 HIS HB3 . 53368 1 154 . 1 . 1 24 24 HIS CA C 13 56.213 0.00 . 1 . . . . . 566 HIS CA . 53368 1 155 . 1 . 1 24 24 HIS CB C 13 30.468 0.00 . 1 . . . . . 566 HIS CB . 53368 1 156 . 1 . 1 24 24 HIS N N 15 121.350 0.00 . 1 . . . . . 566 HIS N . 53368 1 157 . 1 . 1 25 25 VAL H H 1 8.200 0.00 . 1 . . . . . 567 VAL H . 53368 1 158 . 1 . 1 25 25 VAL HA H 1 4.388 0.00 . 1 . . . . . 567 VAL HA . 53368 1 159 . 1 . 1 25 25 VAL HB H 1 2.034 0.00 . 1 . . . . . 567 VAL HB . 53368 1 160 . 1 . 1 25 25 VAL CA C 13 59.737 0.00 . 1 . . . . . 567 VAL CA . 53368 1 161 . 1 . 1 25 25 VAL CB C 13 32.675 0.00 . 1 . . . . . 567 VAL CB . 53368 1 162 . 1 . 1 25 25 VAL N N 15 124.516 0.00 . 1 . . . . . 567 VAL N . 53368 1 163 . 1 . 1 26 26 PRO HA H 1 4.371 0.00 . 1 . . . . . 568 PRO HA . 53368 1 164 . 1 . 1 26 26 PRO HB2 H 1 2.338 0.00 . 2 . . . . . 568 PRO HB2 . 53368 1 165 . 1 . 1 26 26 PRO HB3 H 1 1.948 0.00 . 2 . . . . . 568 PRO HB3 . 53368 1 166 . 1 . 1 26 26 PRO CA C 13 63.603 0.00 . 1 . . . . . 568 PRO CA . 53368 1 167 . 1 . 1 26 26 PRO CB C 13 32.034 0.00 . 1 . . . . . 568 PRO CB . 53368 1 168 . 1 . 1 27 27 GLY H H 1 8.710 0.00 . 1 . . . . . 569 GLY H . 53368 1 169 . 1 . 1 27 27 GLY HA2 H 1 3.952 0.00 . 2 . . . . . 569 GLY HA2 . 53368 1 170 . 1 . 1 27 27 GLY HA3 H 1 3.866 0.00 . 2 . . . . . 569 GLY HA3 . 53368 1 171 . 1 . 1 27 27 GLY CA C 13 44.963 0.01 . 1 . . . . . 569 GLY CA . 53368 1 172 . 1 . 1 27 27 GLY N N 15 111.691 0.00 . 1 . . . . . 569 GLY N . 53368 1 stop_ save_