################################### # 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 36512 _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 $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' 1 $15N isotropic 36512 1 2 '3D HNHA' 1 $15N isotropic 36512 1 3 '3D HNHB' 1 $15N isotropic 36512 1 4 '3D 1H-15N TOCSY' 1 $15N isotropic 36512 1 5 '3D 1H-15N NOESY' 1 $15N isotropic 36512 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 2 2 ALA H H 1 8.957 0.001 . 1 . . . . A 586 ALA H . 36512 1 2 . 1 . 1 2 2 ALA HA H 1 4.268 0.005 . 1 . . . . A 586 ALA HA . 36512 1 3 . 1 . 1 2 2 ALA HB1 H 1 1.550 0.002 . 1 . . . . A 586 ALA HB1 . 36512 1 4 . 1 . 1 2 2 ALA HB2 H 1 1.550 0.002 . 1 . . . . A 586 ALA HB2 . 36512 1 5 . 1 . 1 2 2 ALA HB3 H 1 1.550 0.002 . 1 . . . . A 586 ALA HB3 . 36512 1 6 . 1 . 1 2 2 ALA N N 15 124.375 0.025 . 1 . . . . A 586 ALA N . 36512 1 7 . 1 . 1 3 3 GLN H H 1 8.534 0.002 . 1 . . . . A 587 GLN H . 36512 1 8 . 1 . 1 3 3 GLN HA H 1 4.090 0.003 . 1 . . . . A 587 GLN HA . 36512 1 9 . 1 . 1 3 3 GLN HB2 H 1 2.051 0.002 . 2 . . . . A 587 GLN HB2 . 36512 1 10 . 1 . 1 3 3 GLN HB3 H 1 2.198 0.005 . 2 . . . . A 587 GLN HB3 . 36512 1 11 . 1 . 1 3 3 GLN HG2 H 1 2.483 0.000 . 1 . . . . A 587 GLN HG2 . 36512 1 12 . 1 . 1 3 3 GLN HE21 H 1 7.434 0.004 . 1 . . . . A 587 GLN HE21 . 36512 1 13 . 1 . 1 3 3 GLN HE22 H 1 6.634 0.003 . 1 . . . . A 587 GLN HE22 . 36512 1 14 . 1 . 1 3 3 GLN N N 15 116.596 0.022 . 1 . . . . A 587 GLN N . 36512 1 15 . 1 . 1 3 3 GLN NE2 N 15 109.981 0.071 . 1 . . . . A 587 GLN NE2 . 36512 1 16 . 1 . 1 4 4 GLU H H 1 7.865 0.004 . 1 . . . . A 588 GLU H . 36512 1 17 . 1 . 1 4 4 GLU HA H 1 4.153 0.005 . 1 . . . . A 588 GLU HA . 36512 1 18 . 1 . 1 4 4 GLU HB2 H 1 2.289 0.007 . 2 . . . . A 588 GLU HB2 . 36512 1 19 . 1 . 1 4 4 GLU HB3 H 1 2.151 0.005 . 2 . . . . A 588 GLU HB3 . 36512 1 20 . 1 . 1 4 4 GLU HG2 H 1 2.393 0.000 . 2 . . . . A 588 GLU HG2 . 36512 1 21 . 1 . 1 4 4 GLU HG3 H 1 2.473 0.000 . 2 . . . . A 588 GLU HG3 . 36512 1 22 . 1 . 1 4 4 GLU N N 15 118.131 0.013 . 1 . . . . A 588 GLU N . 36512 1 23 . 1 . 1 5 5 GLU H H 1 7.920 0.003 . 1 . . . . A 589 GLU H . 36512 1 24 . 1 . 1 5 5 GLU HA H 1 4.148 0.004 . 1 . . . . A 589 GLU HA . 36512 1 25 . 1 . 1 5 5 GLU HB2 H 1 2.219 0.006 . 1 . . . . A 589 GLU HB2 . 36512 1 26 . 1 . 1 5 5 GLU HG2 H 1 2.438 0.000 . 2 . . . . A 589 GLU HG2 . 36512 1 27 . 1 . 1 5 5 GLU HG3 H 1 2.559 0.000 . 2 . . . . A 589 GLU HG3 . 36512 1 28 . 1 . 1 5 5 GLU N N 15 119.066 0.018 . 1 . . . . A 589 GLU N . 36512 1 29 . 1 . 1 6 6 ALA H H 1 8.324 0.002 . 1 . . . . A 590 ALA H . 36512 1 30 . 1 . 1 6 6 ALA HA H 1 4.226 0.005 . 1 . . . . A 590 ALA HA . 36512 1 31 . 1 . 1 6 6 ALA HB1 H 1 1.586 0.004 . 1 . . . . A 590 ALA HB1 . 36512 1 32 . 1 . 1 6 6 ALA HB2 H 1 1.586 0.004 . 1 . . . . A 590 ALA HB2 . 36512 1 33 . 1 . 1 6 6 ALA HB3 H 1 1.586 0.004 . 1 . . . . A 590 ALA HB3 . 36512 1 34 . 1 . 1 6 6 ALA N N 15 122.627 0.026 . 1 . . . . A 590 ALA N . 36512 1 35 . 1 . 1 7 7 GLU H H 1 8.146 0.002 . 1 . . . . A 591 GLU H . 36512 1 36 . 1 . 1 7 7 GLU HA H 1 4.101 0.003 . 1 . . . . A 591 GLU HA . 36512 1 37 . 1 . 1 7 7 GLU HB2 H 1 2.176 0.001 . 2 . . . . A 591 GLU HB2 . 36512 1 38 . 1 . 1 7 7 GLU HB3 H 1 2.250 0.000 . 2 . . . . A 591 GLU HB3 . 36512 1 39 . 1 . 1 7 7 GLU HG2 H 1 2.384 0.000 . 2 . . . . A 591 GLU HG2 . 36512 1 40 . 1 . 1 7 7 GLU HG3 H 1 2.626 0.000 . 2 . . . . A 591 GLU HG3 . 36512 1 41 . 1 . 1 7 7 GLU N N 15 117.717 0.025 . 1 . . . . A 591 GLU N . 36512 1 42 . 1 . 1 8 8 ALA H H 1 8.087 0.002 . 1 . . . . A 592 ALA H . 36512 1 43 . 1 . 1 8 8 ALA HA H 1 4.171 0.005 . 1 . . . . A 592 ALA HA . 36512 1 44 . 1 . 1 8 8 ALA HB1 H 1 1.625 0.003 . 1 . . . . A 592 ALA HB1 . 36512 1 45 . 1 . 1 8 8 ALA HB2 H 1 1.625 0.003 . 1 . . . . A 592 ALA HB2 . 36512 1 46 . 1 . 1 8 8 ALA HB3 H 1 1.625 0.003 . 1 . . . . A 592 ALA HB3 . 36512 1 47 . 1 . 1 8 8 ALA N N 15 121.709 0.013 . 1 . . . . A 592 ALA N . 36512 1 48 . 1 . 1 9 9 GLU H H 1 8.149 0.004 . 1 . . . . A 593 GLU H . 36512 1 49 . 1 . 1 9 9 GLU HA H 1 4.290 0.004 . 1 . . . . A 593 GLU HA . 36512 1 50 . 1 . 1 9 9 GLU HB2 H 1 2.224 0.004 . 2 . . . . A 593 GLU HB2 . 36512 1 51 . 1 . 1 9 9 GLU HB3 H 1 2.253 0.000 . 2 . . . . A 593 GLU HB3 . 36512 1 52 . 1 . 1 9 9 GLU HG2 H 1 2.489 0.000 . 1 . . . . A 593 GLU HG2 . 36512 1 53 . 1 . 1 9 9 GLU N N 15 118.870 0.022 . 1 . . . . A 593 GLU N . 36512 1 54 . 1 . 1 10 10 GLU H H 1 8.311 0.002 . 1 . . . . A 594 GLU H . 36512 1 55 . 1 . 1 10 10 GLU HA H 1 4.091 0.000 . 1 . . . . A 594 GLU HA . 36512 1 56 . 1 . 1 10 10 GLU HB2 H 1 2.272 0.003 . 1 . . . . A 594 GLU HB2 . 36512 1 57 . 1 . 1 10 10 GLU HG2 H 1 2.412 0.000 . 2 . . . . A 594 GLU HG2 . 36512 1 58 . 1 . 1 10 10 GLU HG3 H 1 2.567 0.000 . 2 . . . . A 594 GLU HG3 . 36512 1 59 . 1 . 1 10 10 GLU N N 15 119.099 0.030 . 1 . . . . A 594 GLU N . 36512 1 60 . 1 . 1 11 11 ARG H H 1 8.182 0.002 . 1 . . . . A 595 ARG H . 36512 1 61 . 1 . 1 11 11 ARG HA H 1 4.181 0.001 . 1 . . . . A 595 ARG HA . 36512 1 62 . 1 . 1 11 11 ARG HB2 H 1 2.069 0.004 . 1 . . . . A 595 ARG HB2 . 36512 1 63 . 1 . 1 11 11 ARG HG2 H 1 1.881 0.002 . 2 . . . . A 595 ARG HG2 . 36512 1 64 . 1 . 1 11 11 ARG HG3 H 1 1.783 0.001 . 2 . . . . A 595 ARG HG3 . 36512 1 65 . 1 . 1 11 11 ARG HD2 H 1 3.300 0.000 . 1 . . . . A 595 ARG HD2 . 36512 1 66 . 1 . 1 11 11 ARG HE H 1 7.430 0.002 . 1 . . . . A 595 ARG HE . 36512 1 67 . 1 . 1 11 11 ARG HH12 H 1 6.637 0.000 . 1 . . . . A 595 ARG HH12 . 36512 1 68 . 1 . 1 11 11 ARG HH22 H 1 6.637 0.000 . 1 . . . . A 595 ARG HH22 . 36512 1 69 . 1 . 1 11 11 ARG N N 15 118.657 0.033 . 1 . . . . A 595 ARG N . 36512 1 70 . 1 . 1 11 11 ARG NE N 15 84.207 0.003 . 1 . . . . A 595 ARG NE . 36512 1 71 . 1 . 1 12 12 ARG H H 1 8.248 0.001 . 1 . . . . A 596 ARG H . 36512 1 72 . 1 . 1 12 12 ARG HA H 1 4.172 0.001 . 1 . . . . A 596 ARG HA . 36512 1 73 . 1 . 1 12 12 ARG HB2 H 1 2.106 0.003 . 1 . . . . A 596 ARG HB2 . 36512 1 74 . 1 . 1 12 12 ARG HG2 H 1 1.888 0.002 . 2 . . . . A 596 ARG HG2 . 36512 1 75 . 1 . 1 12 12 ARG HG3 H 1 1.735 0.007 . 2 . . . . A 596 ARG HG3 . 36512 1 76 . 1 . 1 12 12 ARG HD2 H 1 3.238 0.000 . 2 . . . . A 596 ARG HD2 . 36512 1 77 . 1 . 1 12 12 ARG HD3 H 1 3.342 0.000 . 2 . . . . A 596 ARG HD3 . 36512 1 78 . 1 . 1 12 12 ARG HE H 1 7.550 0.001 . 1 . . . . A 596 ARG HE . 36512 1 79 . 1 . 1 12 12 ARG HH11 H 1 6.705 0.000 . 1 . . . . A 596 ARG HH11 . 36512 1 80 . 1 . 1 12 12 ARG HH22 H 1 6.705 0.000 . 1 . . . . A 596 ARG HH22 . 36512 1 81 . 1 . 1 12 12 ARG N N 15 120.210 0.012 . 1 . . . . A 596 ARG N . 36512 1 82 . 1 . 1 12 12 ARG NE N 15 83.210 0.027 . 1 . . . . A 596 ARG NE . 36512 1 83 . 1 . 1 13 13 LEU H H 1 8.302 0.004 . 1 . . . . A 597 LEU H . 36512 1 84 . 1 . 1 13 13 LEU HA H 1 4.203 0.006 . 1 . . . . A 597 LEU HA . 36512 1 85 . 1 . 1 13 13 LEU HB2 H 1 1.725 0.002 . 2 . . . . A 597 LEU HB2 . 36512 1 86 . 1 . 1 13 13 LEU HB3 H 1 2.000 0.002 . 2 . . . . A 597 LEU HB3 . 36512 1 87 . 1 . 1 13 13 LEU N N 15 120.324 0.021 . 1 . . . . A 597 LEU N . 36512 1 88 . 1 . 1 14 14 GLN H H 1 8.241 0.002 . 1 . . . . A 598 GLN H . 36512 1 89 . 1 . 1 14 14 GLN HA H 1 4.140 0.002 . 1 . . . . A 598 GLN HA . 36512 1 90 . 1 . 1 14 14 GLN HB2 H 1 2.278 0.000 . 2 . . . . A 598 GLN HB2 . 36512 1 91 . 1 . 1 14 14 GLN HB3 H 1 2.377 0.000 . 2 . . . . A 598 GLN HB3 . 36512 1 92 . 1 . 1 14 14 GLN HG2 H 1 2.493 0.000 . 2 . . . . A 598 GLN HG2 . 36512 1 93 . 1 . 1 14 14 GLN HG3 H 1 2.693 0.000 . 2 . . . . A 598 GLN HG3 . 36512 1 94 . 1 . 1 14 14 GLN HE21 H 1 7.329 0.002 . 1 . . . . A 598 GLN HE21 . 36512 1 95 . 1 . 1 14 14 GLN HE22 H 1 6.528 0.003 . 1 . . . . A 598 GLN HE22 . 36512 1 96 . 1 . 1 14 14 GLN N N 15 118.860 0.021 . 1 . . . . A 598 GLN N . 36512 1 97 . 1 . 1 14 14 GLN NE2 N 15 109.304 0.068 . 1 . . . . A 598 GLN NE2 . 36512 1 98 . 1 . 1 15 15 GLU H H 1 8.461 0.002 . 1 . . . . A 599 GLU H . 36512 1 99 . 1 . 1 15 15 GLU HA H 1 4.123 0.003 . 1 . . . . A 599 GLU HA . 36512 1 100 . 1 . 1 15 15 GLU HB2 H 1 2.369 0.001 . 2 . . . . A 599 GLU HB2 . 36512 1 101 . 1 . 1 15 15 GLU HB3 H 1 2.205 0.001 . 2 . . . . A 599 GLU HB3 . 36512 1 102 . 1 . 1 15 15 GLU HG2 H 1 2.647 0.000 . 1 . . . . A 599 GLU HG2 . 36512 1 103 . 1 . 1 15 15 GLU N N 15 119.599 0.022 . 1 . . . . A 599 GLU N . 36512 1 104 . 1 . 1 16 16 GLN H H 1 8.300 0.001 . 1 . . . . A 600 GLN H . 36512 1 105 . 1 . 1 16 16 GLN HA H 1 4.092 0.001 . 1 . . . . A 600 GLN HA . 36512 1 106 . 1 . 1 16 16 GLN HB2 H 1 2.337 0.003 . 1 . . . . A 600 GLN HB2 . 36512 1 107 . 1 . 1 16 16 GLN HG2 H 1 2.463 0.000 . 2 . . . . A 600 GLN HG2 . 36512 1 108 . 1 . 1 16 16 GLN HG3 H 1 2.581 0.000 . 2 . . . . A 600 GLN HG3 . 36512 1 109 . 1 . 1 16 16 GLN HE21 H 1 7.402 0.001 . 1 . . . . A 600 GLN HE21 . 36512 1 110 . 1 . 1 16 16 GLN HE22 H 1 6.311 0.002 . 1 . . . . A 600 GLN HE22 . 36512 1 111 . 1 . 1 16 16 GLN N N 15 118.909 0.008 . 1 . . . . A 600 GLN N . 36512 1 112 . 1 . 1 16 16 GLN NE2 N 15 108.230 0.074 . 1 . . . . A 600 GLN NE2 . 36512 1 113 . 1 . 1 17 17 GLU H H 1 8.361 0.005 . 1 . . . . A 601 GLU H . 36512 1 114 . 1 . 1 17 17 GLU HA H 1 4.163 0.007 . 1 . . . . A 601 GLU HA . 36512 1 115 . 1 . 1 17 17 GLU HB2 H 1 2.288 0.008 . 1 . . . . A 601 GLU HB2 . 36512 1 116 . 1 . 1 17 17 GLU HG2 H 1 2.611 0.000 . 2 . . . . A 601 GLU HG2 . 36512 1 117 . 1 . 1 17 17 GLU HG3 H 1 2.462 0.000 . 2 . . . . A 601 GLU HG3 . 36512 1 118 . 1 . 1 17 17 GLU N N 15 118.932 0.016 . 1 . . . . A 601 GLU N . 36512 1 119 . 1 . 1 18 18 GLU H H 1 8.270 0.004 . 1 . . . . A 602 GLU H . 36512 1 120 . 1 . 1 18 18 GLU HA H 1 4.202 0.010 . 1 . . . . A 602 GLU HA . 36512 1 121 . 1 . 1 18 18 GLU HB2 H 1 2.253 0.001 . 2 . . . . A 602 GLU HB2 . 36512 1 122 . 1 . 1 18 18 GLU HB3 H 1 2.326 0.000 . 2 . . . . A 602 GLU HB3 . 36512 1 123 . 1 . 1 18 18 GLU HG2 H 1 2.462 0.000 . 2 . . . . A 602 GLU HG2 . 36512 1 124 . 1 . 1 18 18 GLU HG3 H 1 2.582 0.000 . 2 . . . . A 602 GLU HG3 . 36512 1 125 . 1 . 1 18 18 GLU N N 15 120.190 0.015 . 1 . . . . A 602 GLU N . 36512 1 126 . 1 . 1 19 19 LEU H H 1 8.374 0.002 . 1 . . . . A 603 LEU H . 36512 1 127 . 1 . 1 19 19 LEU HA H 1 4.342 0.005 . 1 . . . . A 603 LEU HA . 36512 1 128 . 1 . 1 19 19 LEU HB2 H 1 1.808 0.003 . 2 . . . . A 603 LEU HB2 . 36512 1 129 . 1 . 1 19 19 LEU HB3 H 1 2.027 0.005 . 2 . . . . A 603 LEU HB3 . 36512 1 130 . 1 . 1 19 19 LEU N N 15 122.132 0.026 . 1 . . . . A 603 LEU N . 36512 1 131 . 1 . 1 20 20 GLU H H 1 8.648 0.001 . 1 . . . . A 604 GLU H . 36512 1 132 . 1 . 1 20 20 GLU HA H 1 4.004 0.003 . 1 . . . . A 604 GLU HA . 36512 1 133 . 1 . 1 20 20 GLU HB2 H 1 2.236 0.021 . 1 . . . . A 604 GLU HB2 . 36512 1 134 . 1 . 1 20 20 GLU N N 15 117.687 0.035 . 1 . . . . A 604 GLU N . 36512 1 135 . 1 . 1 21 21 ASN H H 1 8.232 0.002 . 1 . . . . A 605 ASN H . 36512 1 136 . 1 . 1 21 21 ASN HA H 1 4.600 0.003 . 1 . . . . A 605 ASN HA . 36512 1 137 . 1 . 1 21 21 ASN HB2 H 1 2.935 0.004 . 2 . . . . A 605 ASN HB2 . 36512 1 138 . 1 . 1 21 21 ASN HB3 H 1 3.147 0.002 . 2 . . . . A 605 ASN HB3 . 36512 1 139 . 1 . 1 21 21 ASN HD21 H 1 7.753 0.002 . 1 . . . . A 605 ASN HD21 . 36512 1 140 . 1 . 1 21 21 ASN HD22 H 1 6.767 0.002 . 1 . . . . A 605 ASN HD22 . 36512 1 141 . 1 . 1 21 21 ASN N N 15 116.322 0.028 . 1 . . . . A 605 ASN N . 36512 1 142 . 1 . 1 21 21 ASN ND2 N 15 111.996 0.062 . 1 . . . . A 605 ASN ND2 . 36512 1 143 . 1 . 1 22 22 TYR H H 1 8.499 0.003 . 1 . . . . A 606 TYR H . 36512 1 144 . 1 . 1 22 22 TYR HA H 1 4.332 0.002 . 1 . . . . A 606 TYR HA . 36512 1 145 . 1 . 1 22 22 TYR HB2 H 1 3.489 0.011 . 2 . . . . A 606 TYR HB2 . 36512 1 146 . 1 . 1 22 22 TYR HB3 H 1 3.353 0.004 . 2 . . . . A 606 TYR HB3 . 36512 1 147 . 1 . 1 22 22 TYR N N 15 123.362 0.014 . 1 . . . . A 606 TYR N . 36512 1 148 . 1 . 1 23 23 ILE H H 1 9.027 0.001 . 1 . . . . A 607 ILE H . 36512 1 149 . 1 . 1 23 23 ILE HA H 1 3.583 0.004 . 1 . . . . A 607 ILE HA . 36512 1 150 . 1 . 1 23 23 ILE HB H 1 2.053 0.004 . 1 . . . . A 607 ILE HB . 36512 1 151 . 1 . 1 23 23 ILE N N 15 121.078 0.015 . 1 . . . . A 607 ILE N . 36512 1 152 . 1 . 1 24 24 GLU H H 1 8.526 0.002 . 1 . . . . A 608 GLU H . 36512 1 153 . 1 . 1 24 24 GLU HA H 1 3.895 0.003 . 1 . . . . A 608 GLU HA . 36512 1 154 . 1 . 1 24 24 GLU HB2 H 1 1.864 0.002 . 2 . . . . A 608 GLU HB2 . 36512 1 155 . 1 . 1 24 24 GLU HB3 H 1 2.145 0.000 . 2 . . . . A 608 GLU HB3 . 36512 1 156 . 1 . 1 24 24 GLU N N 15 115.730 0.024 . 1 . . . . A 608 GLU N . 36512 1 157 . 1 . 1 25 25 HIS H H 1 8.035 0.003 . 1 . . . . A 609 HIS H . 36512 1 158 . 1 . 1 25 25 HIS HA H 1 4.612 0.003 . 1 . . . . A 609 HIS HA . 36512 1 159 . 1 . 1 25 25 HIS HB2 H 1 3.327 0.011 . 1 . . . . A 609 HIS HB2 . 36512 1 160 . 1 . 1 25 25 HIS N N 15 111.610 0.013 . 1 . . . . A 609 HIS N . 36512 1 161 . 1 . 1 26 26 VAL H H 1 8.329 0.002 . 1 . . . . A 610 VAL H . 36512 1 162 . 1 . 1 26 26 VAL HA H 1 3.894 0.005 . 1 . . . . A 610 VAL HA . 36512 1 163 . 1 . 1 26 26 VAL HB H 1 1.926 0.004 . 1 . . . . A 610 VAL HB . 36512 1 164 . 1 . 1 26 26 VAL HG11 H 1 0.847 0.000 . 1 . . . . A 610 VAL HG11 . 36512 1 165 . 1 . 1 26 26 VAL HG12 H 1 0.847 0.000 . 1 . . . . A 610 VAL HG12 . 36512 1 166 . 1 . 1 26 26 VAL HG13 H 1 0.847 0.000 . 1 . . . . A 610 VAL HG13 . 36512 1 167 . 1 . 1 26 26 VAL N N 15 119.565 0.034 . 1 . . . . A 610 VAL N . 36512 1 168 . 1 . 1 27 27 LEU H H 1 8.039 0.003 . 1 . . . . A 611 LEU H . 36512 1 169 . 1 . 1 27 27 LEU HA H 1 4.251 0.005 . 1 . . . . A 611 LEU HA . 36512 1 170 . 1 . 1 27 27 LEU HB2 H 1 1.961 0.007 . 2 . . . . A 611 LEU HB2 . 36512 1 171 . 1 . 1 27 27 LEU HB3 H 1 1.644 0.006 . 2 . . . . A 611 LEU HB3 . 36512 1 172 . 1 . 1 27 27 LEU N N 15 118.695 0.017 . 1 . . . . A 611 LEU N . 36512 1 173 . 1 . 1 28 28 LEU H H 1 8.017 0.003 . 1 . . . . A 612 LEU H . 36512 1 174 . 1 . 1 28 28 LEU HA H 1 4.384 0.005 . 1 . . . . A 612 LEU HA . 36512 1 175 . 1 . 1 28 28 LEU HB2 H 1 2.004 0.004 . 2 . . . . A 612 LEU HB2 . 36512 1 176 . 1 . 1 28 28 LEU HB3 H 1 1.593 0.003 . 2 . . . . A 612 LEU HB3 . 36512 1 177 . 1 . 1 28 28 LEU N N 15 115.965 0.024 . 1 . . . . A 612 LEU N . 36512 1 178 . 1 . 1 29 29 ARG H H 1 7.204 0.003 . 1 . . . . A 613 ARG H . 36512 1 179 . 1 . 1 29 29 ARG HA H 1 4.196 0.004 . 1 . . . . A 613 ARG HA . 36512 1 180 . 1 . 1 29 29 ARG HB2 H 1 1.954 0.004 . 1 . . . . A 613 ARG HB2 . 36512 1 181 . 1 . 1 29 29 ARG HG2 H 1 1.658 0.000 . 1 . . . . A 613 ARG HG2 . 36512 1 182 . 1 . 1 29 29 ARG HD2 H 1 3.244 0.000 . 1 . . . . A 613 ARG HD2 . 36512 1 183 . 1 . 1 29 29 ARG HE H 1 7.155 0.002 . 1 . . . . A 613 ARG HE . 36512 1 184 . 1 . 1 29 29 ARG N N 15 115.712 0.018 . 1 . . . . A 613 ARG N . 36512 1 185 . 1 . 1 29 29 ARG NE N 15 84.323 0.032 . 1 . . . . A 613 ARG NE . 36512 1 186 . 1 . 1 30 30 ARG H H 1 8.110 0.002 . 1 . . . . A 614 ARG H . 36512 1 187 . 1 . 1 30 30 ARG HA H 1 4.700 0.003 . 1 . . . . A 614 ARG HA . 36512 1 188 . 1 . 1 30 30 ARG HB2 H 1 1.946 0.002 . 1 . . . . A 614 ARG HB2 . 36512 1 189 . 1 . 1 30 30 ARG HG2 H 1 1.773 0.003 . 1 . . . . A 614 ARG HG2 . 36512 1 190 . 1 . 1 30 30 ARG HD2 H 1 3.226 0.002 . 1 . . . . A 614 ARG HD2 . 36512 1 191 . 1 . 1 30 30 ARG HE H 1 7.218 0.002 . 1 . . . . A 614 ARG HE . 36512 1 192 . 1 . 1 30 30 ARG N N 15 120.970 0.028 . 1 . . . . A 614 ARG N . 36512 1 193 . 1 . 1 30 30 ARG NE N 15 84.096 0.007 . 1 . . . . A 614 ARG NE . 36512 1 stop_ save_