################################### # 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 53367 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name mhGHR(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' . . . 53367 1 3 '2D 1H-13C HSQC' . . . 53367 1 4 '2D 1H-1H TOCSY' . . . 53367 1 5 '2D 1H-1H NOESY' . . . 53367 1 6 '2D 1H-1H NOESY' . . . 53367 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 . . 53367 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 . 53367 1 2 . 1 . 1 1 1 ASN HA H 1 4.694 0.00 . 1 . . . . . 543 ASN HA . 53367 1 3 . 1 . 1 1 1 ASN HB2 H 1 2.824 0.00 . 2 . . . . . 543 ASN HB2 . 53367 1 4 . 1 . 1 1 1 ASN HB3 H 1 2.740 0.00 . 2 . . . . . 543 ASN HB3 . 53367 1 5 . 1 . 1 1 1 ASN CA C 13 53.289 0.00 . 1 . . . . . 543 ASN CA . 53367 1 6 . 1 . 1 1 1 ASN CB C 13 39.086 0.00 . 1 . . . . . 543 ASN CB . 53367 1 7 . 1 . 1 1 1 ASN N N 15 124.920 0.00 . 1 . . . . . 543 ASN N . 53367 1 8 . 1 . 1 2 2 GLN H H 1 8.716 0.00 . 1 . . . . . 544 GLN H . 53367 1 9 . 1 . 1 2 2 GLN HA H 1 4.298 0.00 . 1 . . . . . 544 GLN HA . 53367 1 10 . 1 . 1 2 2 GLN HB2 H 1 2.135 0.00 . 2 . . . . . 544 GLN HB2 . 53367 1 11 . 1 . 1 2 2 GLN HB3 H 1 2.016 0.00 . 2 . . . . . 544 GLN HB3 . 53367 1 12 . 1 . 1 2 2 GLN CA C 13 56.367 0.00 . 1 . . . . . 544 GLN CA . 53367 1 13 . 1 . 1 2 2 GLN CB C 13 29.210 0.00 . 1 . . . . . 544 GLN CB . 53367 1 14 . 1 . 1 2 2 GLN N N 15 121.504 0.00 . 1 . . . . . 544 GLN N . 53367 1 15 . 1 . 1 3 3 GLU H H 1 8.619 0.00 . 1 . . . . . 545 GLU H . 53367 1 16 . 1 . 1 3 3 GLU HA H 1 4.264 0.00 . 1 . . . . . 545 GLU HA . 53367 1 17 . 1 . 1 3 3 GLU HB2 H 1 2.052 0.00 . 2 . . . . . 545 GLU HB2 . 53367 1 18 . 1 . 1 3 3 GLU HB3 H 1 1.935 0.00 . 2 . . . . . 545 GLU HB3 . 53367 1 19 . 1 . 1 3 3 GLU CA C 13 56.868 0.00 . 1 . . . . . 545 GLU CA . 53367 1 20 . 1 . 1 3 3 GLU CB C 13 30.188 0.01 . 1 . . . . . 545 GLU CB . 53367 1 21 . 1 . 1 3 3 GLU N N 15 121.482 0.00 . 1 . . . . . 545 GLU N . 53367 1 22 . 1 . 1 4 4 ASP H H 1 8.405 0.00 . 1 . . . . . 546 ASP H . 53367 1 23 . 1 . 1 4 4 ASP HA H 1 4.615 0.00 . 1 . . . . . 546 ASP HA . 53367 1 24 . 1 . 1 4 4 ASP HB2 H 1 2.726 0.00 . 2 . . . . . 546 ASP HB2 . 53367 1 25 . 1 . 1 4 4 ASP HB3 H 1 2.615 0.00 . 2 . . . . . 546 ASP HB3 . 53367 1 26 . 1 . 1 4 4 ASP CA C 13 54.485 0.00 . 1 . . . . . 546 ASP CA . 53367 1 27 . 1 . 1 4 4 ASP CB C 13 41.014 0.00 . 1 . . . . . 546 ASP CB . 53367 1 28 . 1 . 1 4 4 ASP N N 15 121.443 0.00 . 1 . . . . . 546 ASP N . 53367 1 29 . 1 . 1 5 5 ILE H H 1 8.011 0.00 . 1 . . . . . 547 ILE H . 53367 1 30 . 1 . 1 5 5 ILE HA H 1 4.139 0.00 . 1 . . . . . 547 ILE HA . 53367 1 31 . 1 . 1 5 5 ILE HB H 1 1.803 0.02 . 1 . . . . . 547 ILE HB . 53367 1 32 . 1 . 1 5 5 ILE CA C 13 61.282 0.00 . 1 . . . . . 547 ILE CA . 53367 1 33 . 1 . 1 5 5 ILE CB C 13 38.737 0.00 . 1 . . . . . 547 ILE CB . 53367 1 34 . 1 . 1 5 5 ILE N N 15 120.715 0.00 . 1 . . . . . 547 ILE N . 53367 1 35 . 1 . 1 6 6 TYR H H 1 8.427 0.00 . 1 . . . . . 548 TYR H . 53367 1 36 . 1 . 1 6 6 TYR HA H 1 4.569 0.00 . 1 . . . . . 548 TYR HA . 53367 1 37 . 1 . 1 6 6 TYR HB2 H 1 3.032 0.00 . 2 . . . . . 548 TYR HB2 . 53367 1 38 . 1 . 1 6 6 TYR HB3 H 1 2.990 0.00 . 2 . . . . . 548 TYR HB3 . 53367 1 39 . 1 . 1 6 6 TYR CA C 13 58.182 0.00 . 1 . . . . . 548 TYR CA . 53367 1 40 . 1 . 1 6 6 TYR CB C 13 38.887 0.00 . 1 . . . . . 548 TYR CB . 53367 1 41 . 1 . 1 6 6 TYR N N 15 125.332 0.00 . 1 . . . . . 548 TYR N . 53367 1 42 . 1 . 1 7 7 ILE H H 1 8.025 0.00 . 1 . . . . . 549 ILE H . 53367 1 43 . 1 . 1 7 7 ILE HA H 1 4.112 0.00 . 1 . . . . . 549 ILE HA . 53367 1 44 . 1 . 1 7 7 ILE HB H 1 1.787 0.04 . 1 . . . . . 549 ILE HB . 53367 1 45 . 1 . 1 7 7 ILE CA C 13 60.489 0.00 . 1 . . . . . 549 ILE CA . 53367 1 46 . 1 . 1 7 7 ILE CB C 13 38.777 0.00 . 1 . . . . . 549 ILE CB . 53367 1 47 . 1 . 1 7 7 ILE N N 15 126.198 0.00 . 1 . . . . . 549 ILE N . 53367 1 48 . 1 . 1 8 8 THR H H 1 8.247 0.00 . 1 . . . . . 550 THR H . 53367 1 49 . 1 . 1 8 8 THR HA H 1 4.361 0.00 . 1 . . . . . 550 THR HA . 53367 1 50 . 1 . 1 8 8 THR HB H 1 4.277 0.00 . 1 . . . . . 550 THR HB . 53367 1 51 . 1 . 1 8 8 THR CA C 13 61.730 0.00 . 1 . . . . . 550 THR CA . 53367 1 52 . 1 . 1 8 8 THR CB C 13 69.766 0.00 . 1 . . . . . 550 THR CB . 53367 1 53 . 1 . 1 8 8 THR N N 15 119.687 0.00 . 1 . . . . . 550 THR N . 53367 1 54 . 1 . 1 9 9 THR H H 1 8.636 0.00 . 1 . . . . . 551 THR H . 53367 1 55 . 1 . 1 9 9 THR HA H 1 4.244 0.00 . 1 . . . . . 551 THR HA . 53367 1 56 . 1 . 1 9 9 THR HB H 1 4.240 0.01 . 1 . . . . . 551 THR HB . 53367 1 57 . 1 . 1 9 9 THR CA C 13 63.009 0.00 . 1 . . . . . 551 THR CA . 53367 1 58 . 1 . 1 9 9 THR CB C 13 69.554 0.00 . 1 . . . . . 551 THR CB . 53367 1 59 . 1 . 1 9 9 THR N N 15 118.636 0.00 . 1 . . . . . 551 THR N . 53367 1 60 . 1 . 1 10 10 GLU H H 1 8.620 0.00 . 1 . . . . . 552 GLU H . 53367 1 61 . 1 . 1 10 10 GLU HA H 1 4.264 0.00 . 1 . . . . . 552 GLU HA . 53367 1 62 . 1 . 1 10 10 GLU HB2 H 1 2.064 0.01 . 2 . . . . . 552 GLU HB2 . 53367 1 63 . 1 . 1 10 10 GLU HB3 H 1 1.972 0.00 . 2 . . . . . 552 GLU HB3 . 53367 1 64 . 1 . 1 10 10 GLU CA C 13 57.220 0.00 . 1 . . . . . 552 GLU CA . 53367 1 65 . 1 . 1 10 10 GLU CB C 13 30.148 0.03 . 1 . . . . . 552 GLU CB . 53367 1 66 . 1 . 1 10 10 GLU N N 15 123.786 0.00 . 1 . . . . . 552 GLU N . 53367 1 67 . 1 . 1 11 11 SER H H 1 8.418 0.00 . 1 . . . . . 553 SER H . 53367 1 68 . 1 . 1 11 11 SER HA H 1 4.400 0.00 . 1 . . . . . 553 SER HA . 53367 1 69 . 1 . 1 11 11 SER HB2 H 1 3.875 0.00 . 2 . . . . . 553 SER HB2 . 53367 1 70 . 1 . 1 11 11 SER HB3 H 1 3.875 0.00 . 2 . . . . . 553 SER HB3 . 53367 1 71 . 1 . 1 11 11 SER CA C 13 58.833 0.00 . 1 . . . . . 553 SER CA . 53367 1 72 . 1 . 1 11 11 SER CB C 13 63.585 0.00 . 1 . . . . . 553 SER CB . 53367 1 73 . 1 . 1 11 11 SER N N 15 117.358 0.00 . 1 . . . . . 553 SER N . 53367 1 74 . 1 . 1 12 12 LEU H H 1 8.372 0.00 . 1 . . . . . 554 LEU H . 53367 1 75 . 1 . 1 12 12 LEU HA H 1 4.397 0.00 . 1 . . . . . 554 LEU HA . 53367 1 76 . 1 . 1 12 12 LEU HB2 H 1 1.741 0.01 . 2 . . . . . 554 LEU HB2 . 53367 1 77 . 1 . 1 12 12 LEU HB3 H 1 1.624 0.00 . 2 . . . . . 554 LEU HB3 . 53367 1 78 . 1 . 1 12 12 LEU CA C 13 55.744 0.00 . 1 . . . . . 554 LEU CA . 53367 1 79 . 1 . 1 12 12 LEU CB C 13 42.317 0.01 . 1 . . . . . 554 LEU CB . 53367 1 80 . 1 . 1 12 12 LEU N N 15 124.255 0.00 . 1 . . . . . 554 LEU N . 53367 1 81 . 1 . 1 13 13 THR H H 1 8.226 0.00 . 1 . . . . . 555 THR H . 53367 1 82 . 1 . 1 13 13 THR HA H 1 4.370 0.00 . 1 . . . . . 555 THR HA . 53367 1 83 . 1 . 1 13 13 THR HB H 1 4.269 0.00 . 1 . . . . . 555 THR HB . 53367 1 84 . 1 . 1 13 13 THR CA C 13 62.426 0.00 . 1 . . . . . 555 THR CA . 53367 1 85 . 1 . 1 13 13 THR CB C 13 69.777 0.00 . 1 . . . . . 555 THR CB . 53367 1 86 . 1 . 1 13 13 THR N N 15 114.337 0.00 . 1 . . . . . 555 THR N . 53367 1 87 . 1 . 1 14 14 THR H H 1 8.139 0.00 . 1 . . . . . 556 THR H . 53367 1 88 . 1 . 1 14 14 THR HA H 1 4.326 0.00 . 1 . . . . . 556 THR HA . 53367 1 89 . 1 . 1 14 14 THR HB H 1 4.265 0.00 . 1 . . . . . 556 THR HB . 53367 1 90 . 1 . 1 14 14 THR CA C 13 62.178 0.00 . 1 . . . . . 556 THR CA . 53367 1 91 . 1 . 1 14 14 THR CB C 13 69.759 0.00 . 1 . . . . . 556 THR CB . 53367 1 92 . 1 . 1 14 14 THR N N 15 116.410 0.00 . 1 . . . . . 556 THR N . 53367 1 93 . 1 . 1 15 15 ALA H H 1 8.350 0.00 . 1 . . . . . 557 ALA H . 53367 1 94 . 1 . 1 15 15 ALA HA H 1 4.279 0.00 . 1 . . . . . 557 ALA HA . 53367 1 95 . 1 . 1 15 15 ALA HB1 H 1 1.402 0.00 . 1 . . . . . 557 ALA HB . 53367 1 96 . 1 . 1 15 15 ALA HB2 H 1 1.402 0.00 . 1 . . . . . 557 ALA HB . 53367 1 97 . 1 . 1 15 15 ALA HB3 H 1 1.402 0.00 . 1 . . . . . 557 ALA HB . 53367 1 98 . 1 . 1 15 15 ALA CA C 13 52.805 0.00 . 1 . . . . . 557 ALA CA . 53367 1 99 . 1 . 1 15 15 ALA CB C 13 19.080 0.00 . 1 . . . . . 557 ALA CB . 53367 1 100 . 1 . 1 15 15 ALA N N 15 126.392 0.00 . 1 . . . . . 557 ALA N . 53367 1 101 . 1 . 1 16 16 ALA H H 1 8.272 0.00 . 1 . . . . . 558 ALA H . 53367 1 102 . 1 . 1 16 16 ALA HA H 1 4.277 0.01 . 1 . . . . . 558 ALA HA . 53367 1 103 . 1 . 1 16 16 ALA HB1 H 1 1.406 0.00 . 1 . . . . . 558 ALA HB . 53367 1 104 . 1 . 1 16 16 ALA HB2 H 1 1.406 0.00 . 1 . . . . . 558 ALA HB . 53367 1 105 . 1 . 1 16 16 ALA HB3 H 1 1.406 0.00 . 1 . . . . . 558 ALA HB . 53367 1 106 . 1 . 1 16 16 ALA CA C 13 52.961 0.00 . 1 . . . . . 558 ALA CA . 53367 1 107 . 1 . 1 16 16 ALA CB C 13 19.080 0.00 . 1 . . . . . 558 ALA CB . 53367 1 108 . 1 . 1 16 16 ALA N N 15 122.855 0.00 . 1 . . . . . 558 ALA N . 53367 1 109 . 1 . 1 17 17 GLY H H 1 8.336 0.01 . 1 . . . . . 559 GLY H . 53367 1 110 . 1 . 1 17 17 GLY HA2 H 1 3.926 0.02 . 2 . . . . . 559 GLY HA2 . 53367 1 111 . 1 . 1 17 17 GLY HA3 H 1 3.936 0.03 . 2 . . . . . 559 GLY HA3 . 53367 1 112 . 1 . 1 17 17 GLY CA C 13 45.089 0.01 . 1 . . . . . 559 GLY CA . 53367 1 113 . 1 . 1 17 17 GLY N N 15 107.952 0.00 . 1 . . . . . 559 GLY N . 53367 1 114 . 1 . 1 18 18 ARG H H 1 8.185 0.00 . 1 . . . . . 560 ARG H . 53367 1 115 . 1 . 1 18 18 ARG HA H 1 4.649 0.00 . 1 . . . . . 560 ARG HA . 53367 1 116 . 1 . 1 18 18 ARG HB2 H 1 1.845 0.00 . 2 . . . . . 560 ARG HB2 . 53367 1 117 . 1 . 1 18 18 ARG HB3 H 1 1.745 0.00 . 2 . . . . . 560 ARG HB3 . 53367 1 118 . 1 . 1 18 18 ARG CA C 13 54.028 0.00 . 1 . . . . . 560 ARG CA . 53367 1 119 . 1 . 1 18 18 ARG CB C 13 30.127 0.01 . 1 . . . . . 560 ARG CB . 53367 1 120 . 1 . 1 18 18 ARG N N 15 121.672 0.00 . 1 . . . . . 560 ARG N . 53367 1 121 . 1 . 1 19 19 PRO HA H 1 4.446 0.00 . 1 . . . . . 561 PRO HA . 53367 1 122 . 1 . 1 19 19 PRO HB2 H 1 2.308 0.00 . 2 . . . . . 561 PRO HB2 . 53367 1 123 . 1 . 1 19 19 PRO HB3 H 1 1.948 0.00 . 2 . . . . . 561 PRO HB3 . 53367 1 124 . 1 . 1 19 19 PRO CA C 13 63.456 0.00 . 1 . . . . . 561 PRO CA . 53367 1 125 . 1 . 1 19 19 PRO CB C 13 32.121 0.01 . 1 . . . . . 561 PRO CB . 53367 1 126 . 1 . 1 20 20 GLY H H 1 8.710 0.00 . 1 . . . . . 562 GLY H . 53367 1 127 . 1 . 1 20 20 GLY HA2 H 1 4.032 0.00 . 2 . . . . . 562 GLY HA2 . 53367 1 128 . 1 . 1 20 20 GLY HA3 H 1 4.025 0.00 . 2 . . . . . 562 GLY HA3 . 53367 1 129 . 1 . 1 20 20 GLY CA C 13 45.301 0.00 . 1 . . . . . 562 GLY CA . 53367 1 130 . 1 . 1 20 20 GLY N N 15 109.971 0.00 . 1 . . . . . 562 GLY N . 53367 1 131 . 1 . 1 21 21 THR H H 1 8.210 0.00 . 1 . . . . . 563 THR H . 53367 1 132 . 1 . 1 21 21 THR HA H 1 4.386 0.00 . 1 . . . . . 563 THR HA . 53367 1 133 . 1 . 1 21 21 THR HB H 1 4.316 0.00 . 1 . . . . . 563 THR HB . 53367 1 134 . 1 . 1 21 21 THR CA C 13 61.984 0.00 . 1 . . . . . 563 THR CA . 53367 1 135 . 1 . 1 21 21 THR CB C 13 69.981 0.00 . 1 . . . . . 563 THR CB . 53367 1 136 . 1 . 1 21 21 THR N N 15 112.821 0.00 . 1 . . . . . 563 THR N . 53367 1 137 . 1 . 1 22 22 GLY H H 1 8.624 0.00 . 1 . . . . . 564 GLY H . 53367 1 138 . 1 . 1 22 22 GLY HA2 H 1 3.947 0.00 . 2 . . . . . 564 GLY HA2 . 53367 1 139 . 1 . 1 22 22 GLY HA3 H 1 4.010 0.01 . 2 . . . . . 564 GLY HA3 . 53367 1 140 . 1 . 1 22 22 GLY CA C 13 45.288 0.01 . 1 . . . . . 564 GLY CA . 53367 1 141 . 1 . 1 22 22 GLY N N 15 111.437 0.00 . 1 . . . . . 564 GLY N . 53367 1 142 . 1 . 1 23 23 GLU H H 1 8.325 0.00 . 1 . . . . . 565 GLU H . 53367 1 143 . 1 . 1 23 23 GLU HA H 1 4.244 0.00 . 1 . . . . . 565 GLU HA . 53367 1 144 . 1 . 1 23 23 GLU HB2 H 1 1.960 0.00 . 2 . . . . . 565 GLU HB2 . 53367 1 145 . 1 . 1 23 23 GLU HB3 H 1 1.868 0.00 . 2 . . . . . 565 GLU HB3 . 53367 1 146 . 1 . 1 23 23 GLU CA C 13 56.463 0.00 . 1 . . . . . 565 GLU CA . 53367 1 147 . 1 . 1 23 23 GLU CB C 13 30.466 0.07 . 1 . . . . . 565 GLU CB . 53367 1 148 . 1 . 1 23 23 GLU N N 15 120.574 0.00 . 1 . . . . . 565 GLU N . 53367 1 149 . 1 . 1 24 24 HIS H H 1 8.578 0.00 . 1 . . . . . 566 HIS H . 53367 1 150 . 1 . 1 24 24 HIS HA H 1 4.624 0.00 . 1 . . . . . 566 HIS HA . 53367 1 151 . 1 . 1 24 24 HIS HB2 H 1 3.079 0.00 . 2 . . . . . 566 HIS HB2 . 53367 1 152 . 1 . 1 24 24 HIS HB3 H 1 3.079 0.00 . 2 . . . . . 566 HIS HB3 . 53367 1 153 . 1 . 1 24 24 HIS CA C 13 56.183 0.00 . 1 . . . . . 566 HIS CA . 53367 1 154 . 1 . 1 24 24 HIS CB C 13 30.560 0.00 . 1 . . . . . 566 HIS CB . 53367 1 155 . 1 . 1 24 24 HIS N N 15 121.359 0.00 . 1 . . . . . 566 HIS N . 53367 1 156 . 1 . 1 25 25 VAL H H 1 8.191 0.00 . 1 . . . . . 567 VAL H . 53367 1 157 . 1 . 1 25 25 VAL HA H 1 4.382 0.00 . 1 . . . . . 567 VAL HA . 53367 1 158 . 1 . 1 25 25 VAL HB H 1 2.029 0.00 . 1 . . . . . 567 VAL HB . 53367 1 159 . 1 . 1 25 25 VAL CA C 13 59.734 0.00 . 1 . . . . . 567 VAL CA . 53367 1 160 . 1 . 1 25 25 VAL CB C 13 32.685 0.00 . 1 . . . . . 567 VAL CB . 53367 1 161 . 1 . 1 25 25 VAL N N 15 124.580 0.00 . 1 . . . . . 567 VAL N . 53367 1 162 . 1 . 1 26 26 PRO HA H 1 4.361 0.00 . 1 . . . . . 568 PRO HA . 53367 1 163 . 1 . 1 26 26 PRO HB2 H 1 2.333 0.00 . 2 . . . . . 568 PRO HB2 . 53367 1 164 . 1 . 1 26 26 PRO HB3 H 1 1.939 0.00 . 2 . . . . . 568 PRO HB3 . 53367 1 165 . 1 . 1 26 26 PRO CA C 13 63.603 0.00 . 1 . . . . . 568 PRO CA . 53367 1 166 . 1 . 1 26 26 PRO CB C 13 32.056 0.00 . 1 . . . . . 568 PRO CB . 53367 1 167 . 1 . 1 27 27 GLY H H 1 8.713 0.00 . 1 . . . . . 569 GLY H . 53367 1 168 . 1 . 1 27 27 GLY HA2 H 1 3.942 0.00 . 2 . . . . . 569 GLY HA2 . 53367 1 169 . 1 . 1 27 27 GLY HA3 H 1 3.870 0.00 . 2 . . . . . 569 GLY HA3 . 53367 1 170 . 1 . 1 27 27 GLY CA C 13 45.016 0.01 . 1 . . . . . 569 GLY CA . 53367 1 171 . 1 . 1 27 27 GLY N N 15 111.730 0.00 . 1 . . . . . 569 GLY N . 53367 1 stop_ save_