################################### # 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 25274 _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-15N HSQC' . . . 25274 1 2 '2D 1H-13C HSQC' . . . 25274 1 3 '2D 1H-1H TOCSY' . . . 25274 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 1 1 THR HA H 1 3.970 0.002 . . . . . A 298 THR HA . 25274 1 2 . 1 1 1 1 THR HB H 1 4.233 0.003 . . . . . A 298 THR HB . 25274 1 3 . 1 1 1 1 THR HG21 H 1 1.334 0.004 . . . . . A 298 THR HG21 . 25274 1 4 . 1 1 1 1 THR HG22 H 1 1.334 0.004 . . . . . A 298 THR HG22 . 25274 1 5 . 1 1 1 1 THR HG23 H 1 1.334 0.004 . . . . . A 298 THR HG23 . 25274 1 6 . 1 1 1 1 THR CA C 13 60.960 0.000 . . . . . A 298 THR CA . 25274 1 7 . 1 1 1 1 THR CB C 13 68.541 0.000 . . . . . A 298 THR CB . 25274 1 8 . 1 1 1 1 THR CG2 C 13 20.351 0.000 . . . . . A 298 THR CG2 . 25274 1 9 . 1 1 2 2 ASN HA H 1 4.834 0.002 . . . . . A 299 ASN HA . 25274 1 10 . 1 1 2 2 ASN HB2 H 1 2.943 0.001 . . . . . A 299 ASN HB2 . 25274 1 11 . 1 1 2 2 ASN HB3 H 1 2.882 0.002 . . . . . A 299 ASN HB3 . 25274 1 12 . 1 1 2 2 ASN HD21 H 1 7.594 0.001 . . . . . A 299 ASN HD21 . 25274 1 13 . 1 1 2 2 ASN HD22 H 1 6.715 0.002 . . . . . A 299 ASN HD22 . 25274 1 14 . 1 1 2 2 ASN CA C 13 52.995 0.000 . . . . . A 299 ASN CA . 25274 1 15 . 1 1 2 2 ASN CB C 13 38.136 0.005 . . . . . A 299 ASN CB . 25274 1 16 . 1 1 2 2 ASN ND2 N 15 111.757 0.004 . . . . . A 299 ASN ND2 . 25274 1 17 . 1 1 3 3 ARG H H 1 8.589 0.002 . . . . . A 300 ARG H . 25274 1 18 . 1 1 3 3 ARG HA H 1 4.272 0.002 . . . . . A 300 ARG HA . 25274 1 19 . 1 1 3 3 ARG HB2 H 1 1.909 0.001 . . . . . A 300 ARG HB2 . 25274 1 20 . 1 1 3 3 ARG HB3 H 1 1.871 0.001 . . . . . A 300 ARG HB3 . 25274 1 21 . 1 1 3 3 ARG HG2 H 1 1.708 0.001 . . . . . A 300 ARG HG2 . 25274 1 22 . 1 1 3 3 ARG HG3 H 1 1.669 0.001 . . . . . A 300 ARG HG3 . 25274 1 23 . 1 1 3 3 ARG HD2 H 1 3.220 0.002 . . . . . A 300 ARG HD2 . 25274 1 24 . 1 1 3 3 ARG HD3 H 1 3.196 0.002 . . . . . A 300 ARG HD3 . 25274 1 25 . 1 1 3 3 ARG CA C 13 56.988 0.000 . . . . . A 300 ARG CA . 25274 1 26 . 1 1 3 3 ARG CB C 13 29.939 0.033 . . . . . A 300 ARG CB . 25274 1 27 . 1 1 3 3 ARG CG C 13 26.502 0.041 . . . . . A 300 ARG CG . 25274 1 28 . 1 1 3 3 ARG CD C 13 42.600 0.017 . . . . . A 300 ARG CD . 25274 1 29 . 1 1 3 3 ARG N N 15 122.200 0.000 . . . . . A 300 ARG N . 25274 1 30 . 1 1 4 4 ARG H H 1 8.302 0.004 . . . . . A 301 ARG H . 25274 1 31 . 1 1 4 4 ARG HA H 1 4.279 0.003 . . . . . A 301 ARG HA . 25274 1 32 . 1 1 4 4 ARG HB2 H 1 1.904 0.001 . . . . . A 301 ARG HB2 . 25274 1 33 . 1 1 4 4 ARG HB3 H 1 1.867 0.003 . . . . . A 301 ARG HB3 . 25274 1 34 . 1 1 4 4 ARG HG2 H 1 1.712 0.001 . . . . . A 301 ARG HG2 . 25274 1 35 . 1 1 4 4 ARG HG3 H 1 1.639 0.007 . . . . . A 301 ARG HG3 . 25274 1 36 . 1 1 4 4 ARG HD2 H 1 3.199 0.003 . . . . . A 301 ARG HD2 . 25274 1 37 . 1 1 4 4 ARG HD3 H 1 3.199 0.003 . . . . . A 301 ARG HD3 . 25274 1 38 . 1 1 4 4 ARG CA C 13 56.772 0.000 . . . . . A 301 ARG CA . 25274 1 39 . 1 1 4 4 ARG CB C 13 29.779 0.021 . . . . . A 301 ARG CB . 25274 1 40 . 1 1 4 4 ARG CG C 13 26.657 0.037 . . . . . A 301 ARG CG . 25274 1 41 . 1 1 4 4 ARG CD C 13 42.593 0.000 . . . . . A 301 ARG CD . 25274 1 42 . 1 1 4 4 ARG N N 15 120.350 0.000 . . . . . A 301 ARG N . 25274 1 43 . 1 1 5 5 LYS H H 1 8.152 0.002 . . . . . A 302 LYS H . 25274 1 44 . 1 1 5 5 LYS HA H 1 4.318 0.001 . . . . . A 302 LYS HA . 25274 1 45 . 1 1 5 5 LYS HB2 H 1 1.906 0.005 . . . . . A 302 LYS HB2 . 25274 1 46 . 1 1 5 5 LYS HB3 H 1 1.830 0.006 . . . . . A 302 LYS HB3 . 25274 1 47 . 1 1 5 5 LYS HG2 H 1 1.511 0.002 . . . . . A 302 LYS HG2 . 25274 1 48 . 1 1 5 5 LYS HG3 H 1 1.444 0.007 . . . . . A 302 LYS HG3 . 25274 1 49 . 1 1 5 5 LYS HD2 H 1 1.726 0.003 . . . . . A 302 LYS HD2 . 25274 1 50 . 1 1 5 5 LYS HD3 H 1 1.726 0.003 . . . . . A 302 LYS HD3 . 25274 1 51 . 1 1 5 5 LYS HE2 H 1 3.012 0.001 . . . . . A 302 LYS HE2 . 25274 1 52 . 1 1 5 5 LYS HE3 H 1 3.012 0.001 . . . . . A 302 LYS HE3 . 25274 1 53 . 1 1 5 5 LYS CB C 13 31.887 0.000 . . . . . A 302 LYS CB . 25274 1 54 . 1 1 5 5 LYS CG C 13 24.046 0.011 . . . . . A 302 LYS CG . 25274 1 55 . 1 1 5 5 LYS CD C 13 27.938 0.000 . . . . . A 302 LYS CD . 25274 1 56 . 1 1 5 5 LYS CE C 13 41.602 0.000 . . . . . A 302 LYS CE . 25274 1 57 . 1 1 5 5 LYS N N 15 120.966 0.000 . . . . . A 302 LYS N . 25274 1 58 . 1 1 6 6 SER H H 1 8.125 0.001 . . . . . A 303 SER H . 25274 1 59 . 1 1 6 6 SER HA H 1 4.431 0.017 . . . . . A 303 SER HA . 25274 1 60 . 1 1 6 6 SER HB2 H 1 4.034 0.001 . . . . . A 303 SER HB2 . 25274 1 61 . 1 1 6 6 SER HB3 H 1 3.931 0.000 . . . . . A 303 SER HB3 . 25274 1 62 . 1 1 6 6 SER N N 15 115.222 0.000 . . . . . A 303 SER N . 25274 1 63 . 1 1 7 7 GLY H H 1 8.420 0.002 . . . . . A 304 GLY H . 25274 1 64 . 1 1 7 7 GLY HA2 H 1 3.992 0.003 . . . . . A 304 GLY HA2 . 25274 1 65 . 1 1 7 7 GLY HA3 H 1 3.966 0.003 . . . . . A 304 GLY HA3 . 25274 1 66 . 1 1 7 7 GLY CA C 13 45.526 0.002 . . . . . A 304 GLY CA . 25274 1 67 . 1 1 7 7 GLY N N 15 110.587 0.000 . . . . . A 304 GLY N . 25274 1 68 . 1 1 8 8 LYS H H 1 8.002 0.012 . . . . . A 305 LYS H . 25274 1 69 . 1 1 8 8 LYS HA H 1 4.138 0.057 . . . . . A 305 LYS HA . 25274 1 70 . 1 1 8 8 LYS HB2 H 1 1.733 0.003 . . . . . A 305 LYS HB2 . 25274 1 71 . 1 1 8 8 LYS HB3 H 1 1.733 0.003 . . . . . A 305 LYS HB3 . 25274 1 72 . 1 1 8 8 LYS HG2 H 1 1.304 0.003 . . . . . A 305 LYS HG2 . 25274 1 73 . 1 1 8 8 LYS HG3 H 1 1.255 0.002 . . . . . A 305 LYS HG3 . 25274 1 74 . 1 1 8 8 LYS HD2 H 1 1.640 0.002 . . . . . A 305 LYS HD2 . 25274 1 75 . 1 1 8 8 LYS HD3 H 1 1.640 0.002 . . . . . A 305 LYS HD3 . 25274 1 76 . 1 1 8 8 LYS HE2 H 1 2.943 0.022 . . . . . A 305 LYS HE2 . 25274 1 77 . 1 1 8 8 LYS HE3 H 1 2.943 0.022 . . . . . A 305 LYS HE3 . 25274 1 78 . 1 1 8 8 LYS CA C 13 58.159 0.000 . . . . . A 305 LYS CA . 25274 1 79 . 1 1 8 8 LYS CB C 13 31.873 0.000 . . . . . A 305 LYS CB . 25274 1 80 . 1 1 8 8 LYS CG C 13 23.977 0.009 . . . . . A 305 LYS CG . 25274 1 81 . 1 1 8 8 LYS CD C 13 28.577 0.000 . . . . . A 305 LYS CD . 25274 1 82 . 1 1 8 8 LYS CE C 13 41.546 0.132 . . . . . A 305 LYS CE . 25274 1 83 . 1 1 8 8 LYS N N 15 120.698 0.000 . . . . . A 305 LYS N . 25274 1 84 . 1 1 9 9 TYR H H 1 7.813 0.003 . . . . . A 306 TYR H . 25274 1 85 . 1 1 9 9 TYR HA H 1 5.120 1.346 . . . . . A 306 TYR HA . 25274 1 86 . 1 1 9 9 TYR HB2 H 1 3.171 0.005 . . . . . A 306 TYR HB2 . 25274 1 87 . 1 1 9 9 TYR HB3 H 1 3.008 0.002 . . . . . A 306 TYR HB3 . 25274 1 88 . 1 1 9 9 TYR HD1 H 1 7.139 0.000 . . . . . A 306 TYR HD1 . 25274 1 89 . 1 1 9 9 TYR HD2 H 1 7.137 0.001 . . . . . A 306 TYR HD2 . 25274 1 90 . 1 1 9 9 TYR HE1 H 1 6.847 0.000 . . . . . A 306 TYR HE1 . 25274 1 91 . 1 1 9 9 TYR HE2 H 1 6.850 0.002 . . . . . A 306 TYR HE2 . 25274 1 92 . 1 1 9 9 TYR CA C 13 59.562 0.000 . . . . . A 306 TYR CA . 25274 1 93 . 1 1 9 9 TYR CB C 13 37.419 0.008 . . . . . A 306 TYR CB . 25274 1 94 . 1 1 9 9 TYR CD1 C 13 132.343 0.000 . . . . . A 306 TYR CD1 . 25274 1 95 . 1 1 9 9 TYR CD2 C 13 132.343 0.000 . . . . . A 306 TYR CD2 . 25274 1 96 . 1 1 9 9 TYR CE1 C 13 117.586 0.000 . . . . . A 306 TYR CE1 . 25274 1 97 . 1 1 9 9 TYR CE2 C 13 117.586 0.000 . . . . . A 306 TYR CE2 . 25274 1 98 . 1 1 9 9 TYR N N 15 118.055 0.000 . . . . . A 306 TYR N . 25274 1 99 . 1 1 10 10 LYS H H 1 7.862 0.002 . . . . . A 307 LYS H . 25274 1 100 . 1 1 10 10 LYS HA H 1 4.202 0.001 . . . . . A 307 LYS HA . 25274 1 101 . 1 1 10 10 LYS HB2 H 1 1.886 0.001 . . . . . A 307 LYS HB2 . 25274 1 102 . 1 1 10 10 LYS HB3 H 1 1.886 0.001 . . . . . A 307 LYS HB3 . 25274 1 103 . 1 1 10 10 LYS HG2 H 1 1.516 0.002 . . . . . A 307 LYS HG2 . 25274 1 104 . 1 1 10 10 LYS HG3 H 1 1.479 0.002 . . . . . A 307 LYS HG3 . 25274 1 105 . 1 1 10 10 LYS HD2 H 1 1.755 0.010 . . . . . A 307 LYS HD2 . 25274 1 106 . 1 1 10 10 LYS HD3 H 1 1.755 0.010 . . . . . A 307 LYS HD3 . 25274 1 107 . 1 1 10 10 LYS HE2 H 1 2.993 0.002 . . . . . A 307 LYS HE2 . 25274 1 108 . 1 1 10 10 LYS HE3 H 1 2.993 0.002 . . . . . A 307 LYS HE3 . 25274 1 109 . 1 1 10 10 LYS N N 15 119.831 0.000 . . . . . A 307 LYS N . 25274 1 110 . 1 1 11 11 LYS H H 1 7.873 0.004 . . . . . A 308 LYS H . 25274 1 111 . 1 1 11 11 LYS HA H 1 4.105 0.001 . . . . . A 308 LYS HA . 25274 1 112 . 1 1 11 11 LYS HB2 H 1 1.890 0.001 . . . . . A 308 LYS HB2 . 25274 1 113 . 1 1 11 11 LYS HB3 H 1 1.890 0.001 . . . . . A 308 LYS HB3 . 25274 1 114 . 1 1 11 11 LYS HG2 H 1 1.497 0.003 . . . . . A 308 LYS HG2 . 25274 1 115 . 1 1 11 11 LYS HG3 H 1 1.447 0.002 . . . . . A 308 LYS HG3 . 25274 1 116 . 1 1 11 11 LYS HD2 H 1 1.729 0.002 . . . . . A 308 LYS HD2 . 25274 1 117 . 1 1 11 11 LYS HD3 H 1 1.729 0.002 . . . . . A 308 LYS HD3 . 25274 1 118 . 1 1 11 11 LYS HE2 H 1 2.999 0.001 . . . . . A 308 LYS HE2 . 25274 1 119 . 1 1 11 11 LYS HE3 H 1 2.999 0.001 . . . . . A 308 LYS HE3 . 25274 1 120 . 1 1 11 11 LYS CA C 13 58.325 0.000 . . . . . A 308 LYS CA . 25274 1 121 . 1 1 11 11 LYS CB C 13 32.255 0.000 . . . . . A 308 LYS CB . 25274 1 122 . 1 1 11 11 LYS CG C 13 24.243 0.008 . . . . . A 308 LYS CG . 25274 1 123 . 1 1 11 11 LYS CD C 13 28.569 0.000 . . . . . A 308 LYS CD . 25274 1 124 . 1 1 11 11 LYS CE C 13 41.587 0.000 . . . . . A 308 LYS CE . 25274 1 125 . 1 1 11 11 LYS N N 15 119.822 0.000 . . . . . A 308 LYS N . 25274 1 126 . 1 1 12 12 VAL H H 1 7.662 0.002 . . . . . A 309 VAL H . 25274 1 127 . 1 1 12 12 VAL HA H 1 3.792 0.002 . . . . . A 309 VAL HA . 25274 1 128 . 1 1 12 12 VAL HB H 1 2.179 0.001 . . . . . A 309 VAL HB . 25274 1 129 . 1 1 12 12 VAL HG11 H 1 0.964 0.004 . . . . . A 309 VAL HG11 . 25274 1 130 . 1 1 12 12 VAL HG12 H 1 0.964 0.004 . . . . . A 309 VAL HG12 . 25274 1 131 . 1 1 12 12 VAL HG13 H 1 0.964 0.004 . . . . . A 309 VAL HG13 . 25274 1 132 . 1 1 12 12 VAL HG21 H 1 1.046 0.003 . . . . . A 309 VAL HG21 . 25274 1 133 . 1 1 12 12 VAL HG22 H 1 1.046 0.003 . . . . . A 309 VAL HG22 . 25274 1 134 . 1 1 12 12 VAL HG23 H 1 1.046 0.003 . . . . . A 309 VAL HG23 . 25274 1 135 . 1 1 12 12 VAL CB C 13 31.392 0.000 . . . . . A 309 VAL CB . 25274 1 136 . 1 1 12 12 VAL CG1 C 13 20.065 0.000 . . . . . A 309 VAL CG1 . 25274 1 137 . 1 1 12 12 VAL CG2 C 13 20.766 0.000 . . . . . A 309 VAL CG2 . 25274 1 138 . 1 1 12 12 VAL N N 15 119.326 0.000 . . . . . A 309 VAL N . 25274 1 139 . 1 1 13 13 GLU H H 1 8.045 0.002 . . . . . A 310 GLU H . 25274 1 140 . 1 1 13 13 GLU HA H 1 4.136 0.002 . . . . . A 310 GLU HA . 25274 1 141 . 1 1 13 13 GLU HB2 H 1 2.166 0.001 . . . . . A 310 GLU HB2 . 25274 1 142 . 1 1 13 13 GLU HB3 H 1 2.138 0.001 . . . . . A 310 GLU HB3 . 25274 1 143 . 1 1 13 13 GLU HG2 H 1 2.431 0.001 . . . . . A 310 GLU HG2 . 25274 1 144 . 1 1 13 13 GLU HG3 H 1 2.310 0.000 . . . . . A 310 GLU HG3 . 25274 1 145 . 1 1 13 13 GLU N N 15 119.064 0.000 . . . . . A 310 GLU N . 25274 1 146 . 1 1 14 14 ILE H H 1 8.041 0.003 . . . . . A 311 ILE H . 25274 1 147 . 1 1 14 14 ILE HA H 1 3.864 0.005 . . . . . A 311 ILE HA . 25274 1 148 . 1 1 14 14 ILE HB H 1 1.953 0.002 . . . . . A 311 ILE HB . 25274 1 149 . 1 1 14 14 ILE HG12 H 1 1.440 0.001 . . . . . A 311 ILE HG12 . 25274 1 150 . 1 1 14 14 ILE HG13 H 1 1.238 0.001 . . . . . A 311 ILE HG13 . 25274 1 151 . 1 1 14 14 ILE HG21 H 1 0.959 0.004 . . . . . A 311 ILE HG21 . 25274 1 152 . 1 1 14 14 ILE HG22 H 1 0.959 0.004 . . . . . A 311 ILE HG22 . 25274 1 153 . 1 1 14 14 ILE HG23 H 1 0.959 0.004 . . . . . A 311 ILE HG23 . 25274 1 154 . 1 1 14 14 ILE HD11 H 1 0.865 0.002 . . . . . A 311 ILE HD11 . 25274 1 155 . 1 1 14 14 ILE HD12 H 1 0.865 0.002 . . . . . A 311 ILE HD12 . 25274 1 156 . 1 1 14 14 ILE HD13 H 1 0.865 0.002 . . . . . A 311 ILE HD13 . 25274 1 157 . 1 1 14 14 ILE CA C 13 61.181 0.000 . . . . . A 311 ILE CA . 25274 1 158 . 1 1 14 14 ILE CB C 13 37.369 0.000 . . . . . A 311 ILE CB . 25274 1 159 . 1 1 14 14 ILE CG2 C 13 16.285 0.000 . . . . . A 311 ILE CG2 . 25274 1 160 . 1 1 14 14 ILE CD1 C 13 11.646 0.000 . . . . . A 311 ILE CD1 . 25274 1 161 . 1 1 14 14 ILE N N 15 121.066 0.000 . . . . . A 311 ILE N . 25274 1 162 . 1 1 15 15 LYS H H 1 8.282 0.008 . . . . . A 312 LYS H . 25274 1 163 . 1 1 15 15 LYS HA H 1 4.174 0.003 . . . . . A 312 LYS HA . 25274 1 164 . 1 1 15 15 LYS HB2 H 1 1.892 0.002 . . . . . A 312 LYS HB2 . 25274 1 165 . 1 1 15 15 LYS HB3 H 1 1.858 0.001 . . . . . A 312 LYS HB3 . 25274 1 166 . 1 1 15 15 LYS HG2 H 1 1.372 0.001 . . . . . A 312 LYS HG2 . 25274 1 167 . 1 1 15 15 LYS HG3 H 1 1.372 0.001 . . . . . A 312 LYS HG3 . 25274 1 168 . 1 1 15 15 LYS HD2 H 1 1.625 0.003 . . . . . A 312 LYS HD2 . 25274 1 169 . 1 1 15 15 LYS HD3 H 1 1.625 0.003 . . . . . A 312 LYS HD3 . 25274 1 170 . 1 1 15 15 LYS HE2 H 1 2.936 0.004 . . . . . A 312 LYS HE2 . 25274 1 171 . 1 1 15 15 LYS HE3 H 1 2.936 0.004 . . . . . A 312 LYS HE3 . 25274 1 172 . 1 1 15 15 LYS CB C 13 31.848 0.008 . . . . . A 312 LYS CB . 25274 1 173 . 1 1 15 15 LYS CD C 13 28.569 0.000 . . . . . A 312 LYS CD . 25274 1 174 . 1 1 15 15 LYS CE C 13 41.502 0.000 . . . . . A 312 LYS CE . 25274 1 175 . 1 1 15 15 LYS N N 15 120.323 0.000 . . . . . A 312 LYS N . 25274 1 176 . 1 1 16 16 GLU H H 1 8.404 0.002 . . . . . A 313 GLU H . 25274 1 177 . 1 1 16 16 GLU HA H 1 4.130 0.005 . . . . . A 313 GLU HA . 25274 1 178 . 1 1 16 16 GLU HB2 H 1 2.245 0.000 . . . . . A 313 GLU HB2 . 25274 1 179 . 1 1 16 16 GLU HB3 H 1 2.141 0.002 . . . . . A 313 GLU HB3 . 25274 1 180 . 1 1 16 16 GLU HG2 H 1 2.544 0.001 . . . . . A 313 GLU HG2 . 25274 1 181 . 1 1 16 16 GLU HG3 H 1 2.432 0.001 . . . . . A 313 GLU HG3 . 25274 1 182 . 1 1 16 16 GLU CA C 13 58.275 0.000 . . . . . A 313 GLU CA . 25274 1 183 . 1 1 16 16 GLU CG C 13 33.488 0.012 . . . . . A 313 GLU CG . 25274 1 184 . 1 1 18 18 GLY H H 1 7.986 0.002 . . . . . A 315 GLY H . 25274 1 185 . 1 1 18 18 GLY N N 15 113.742 0.000 . . . . . A 315 GLY N . 25274 1 186 . 1 1 19 19 GLU H H 1 7.856 0.002 . . . . . A 316 GLU H . 25274 1 187 . 1 1 19 19 GLU HA H 1 4.263 0.002 . . . . . A 316 GLU HA . 25274 1 188 . 1 1 19 19 GLU HB2 H 1 2.190 0.005 . . . . . A 316 GLU HB2 . 25274 1 189 . 1 1 19 19 GLU HB3 H 1 2.190 0.005 . . . . . A 316 GLU HB3 . 25274 1 190 . 1 1 19 19 GLU HG2 H 1 2.505 0.003 . . . . . A 316 GLU HG2 . 25274 1 191 . 1 1 19 19 GLU HG3 H 1 2.444 0.003 . . . . . A 316 GLU HG3 . 25274 1 192 . 1 1 19 19 GLU CB C 13 28.515 0.000 . . . . . A 316 GLU CB . 25274 1 193 . 1 1 19 19 GLU CG C 13 34.097 0.003 . . . . . A 316 GLU CG . 25274 1 194 . 1 1 19 19 GLU N N 15 117.775 0.000 . . . . . A 316 GLU N . 25274 1 195 . 1 1 20 20 LEU H H 1 7.990 0.004 . . . . . A 317 LEU H . 25274 1 196 . 1 1 20 20 LEU HA H 1 4.233 0.002 . . . . . A 317 LEU HA . 25274 1 197 . 1 1 20 20 LEU HB2 H 1 1.875 0.006 . . . . . A 317 LEU HB2 . 25274 1 198 . 1 1 20 20 LEU HB3 H 1 1.661 0.067 . . . . . A 317 LEU HB3 . 25274 1 199 . 1 1 20 20 LEU HD11 H 1 0.948 0.006 . . . . . A 317 LEU HD11 . 25274 1 200 . 1 1 20 20 LEU HD12 H 1 0.948 0.006 . . . . . A 317 LEU HD12 . 25274 1 201 . 1 1 20 20 LEU HD13 H 1 0.948 0.006 . . . . . A 317 LEU HD13 . 25274 1 202 . 1 1 20 20 LEU HD21 H 1 0.910 0.006 . . . . . A 317 LEU HD21 . 25274 1 203 . 1 1 20 20 LEU HD22 H 1 0.910 0.006 . . . . . A 317 LEU HD22 . 25274 1 204 . 1 1 20 20 LEU HD23 H 1 0.910 0.006 . . . . . A 317 LEU HD23 . 25274 1 205 . 1 1 20 20 LEU CB C 13 41.352 0.003 . . . . . A 317 LEU CB . 25274 1 206 . 1 1 20 20 LEU CD1 C 13 23.786 0.000 . . . . . A 317 LEU CD1 . 25274 1 207 . 1 1 20 20 LEU CD2 C 13 22.226 0.000 . . . . . A 317 LEU CD2 . 25274 1 208 . 1 1 20 20 LEU N N 15 120.638 0.000 . . . . . A 317 LEU N . 25274 1 209 . 1 1 21 21 ARG H H 1 7.193 0.002 . . . . . A 318 ARG H . 25274 1 210 . 1 1 21 21 ARG HA H 1 4.297 0.009 . . . . . A 318 ARG HA . 25274 1 211 . 1 1 21 21 ARG HB2 H 1 1.982 0.002 . . . . . A 318 ARG HB2 . 25274 1 212 . 1 1 21 21 ARG HB3 H 1 1.871 0.005 . . . . . A 318 ARG HB3 . 25274 1 213 . 1 1 21 21 ARG HG2 H 1 1.770 0.017 . . . . . A 318 ARG HG2 . 25274 1 214 . 1 1 21 21 ARG HG3 H 1 1.687 0.002 . . . . . A 318 ARG HG3 . 25274 1 215 . 1 1 21 21 ARG HD2 H 1 3.203 0.001 . . . . . A 318 ARG HD2 . 25274 1 216 . 1 1 21 21 ARG HD3 H 1 3.203 0.001 . . . . . A 318 ARG HD3 . 25274 1 217 . 1 1 21 21 ARG CA C 13 56.450 0.000 . . . . . A 318 ARG CA . 25274 1 218 . 1 1 21 21 ARG CB C 13 29.771 0.043 . . . . . A 318 ARG CB . 25274 1 219 . 1 1 21 21 ARG CG C 13 26.427 0.017 . . . . . A 318 ARG CG . 25274 1 220 . 1 1 21 21 ARG CD C 13 42.617 0.000 . . . . . A 318 ARG CD . 25274 1 221 . 1 1 22 22 LYS H H 1 7.777 0.007 . . . . . A 319 LYS H . 25274 1 222 . 1 1 22 22 LYS HA H 1 4.279 0.002 . . . . . A 319 LYS HA . 25274 1 223 . 1 1 22 22 LYS HB2 H 1 1.913 0.002 . . . . . A 319 LYS HB2 . 25274 1 224 . 1 1 22 22 LYS HB3 H 1 1.885 0.002 . . . . . A 319 LYS HB3 . 25274 1 225 . 1 1 22 22 LYS HG2 H 1 1.506 0.003 . . . . . A 319 LYS HG2 . 25274 1 226 . 1 1 22 22 LYS HG3 H 1 1.471 0.002 . . . . . A 319 LYS HG3 . 25274 1 227 . 1 1 22 22 LYS HD2 H 1 1.727 0.004 . . . . . A 319 LYS HD2 . 25274 1 228 . 1 1 22 22 LYS HD3 H 1 1.727 0.004 . . . . . A 319 LYS HD3 . 25274 1 229 . 1 1 22 22 LYS HE2 H 1 3.025 0.003 . . . . . A 319 LYS HE2 . 25274 1 230 . 1 1 22 22 LYS HE3 H 1 3.025 0.003 . . . . . A 319 LYS HE3 . 25274 1 231 . 1 1 22 22 LYS CA C 13 56.498 0.000 . . . . . A 319 LYS CA . 25274 1 232 . 1 1 22 22 LYS CB C 13 32.047 0.016 . . . . . A 319 LYS CB . 25274 1 233 . 1 1 22 22 LYS CG C 13 23.953 0.025 . . . . . A 319 LYS CG . 25274 1 234 . 1 1 22 22 LYS CD C 13 28.469 0.000 . . . . . A 319 LYS CD . 25274 1 235 . 1 1 22 22 LYS CE C 13 41.570 0.000 . . . . . A 319 LYS CE . 25274 1 236 . 1 1 22 22 LYS N N 15 119.715 0.000 . . . . . A 319 LYS N . 25274 1 237 . 1 1 23 23 GLU H H 1 8.012 0.004 . . . . . A 320 GLU H . 25274 1 238 . 1 1 23 23 GLU HA H 1 4.674 0.003 . . . . . A 320 GLU HA . 25274 1 239 . 1 1 23 23 GLU HB2 H 1 2.151 0.013 . . . . . A 320 GLU HB2 . 25274 1 240 . 1 1 23 23 GLU HB3 H 1 1.983 0.007 . . . . . A 320 GLU HB3 . 25274 1 241 . 1 1 23 23 GLU HG2 H 1 2.471 0.002 . . . . . A 320 GLU HG2 . 25274 1 242 . 1 1 23 23 GLU HG3 H 1 2.447 0.006 . . . . . A 320 GLU HG3 . 25274 1 243 . 1 1 23 23 GLU CA C 13 53.485 0.000 . . . . . A 320 GLU CA . 25274 1 244 . 1 1 23 23 GLU CB C 13 28.353 0.005 . . . . . A 320 GLU CB . 25274 1 245 . 1 1 23 23 GLU CG C 13 33.172 0.019 . . . . . A 320 GLU CG . 25274 1 246 . 1 1 23 23 GLU N N 15 120.805 0.000 . . . . . A 320 GLU N . 25274 1 247 . 1 1 24 24 PRO HA H 1 4.452 0.002 . . . . . A 321 PRO HA . 25274 1 248 . 1 1 24 24 PRO HB2 H 1 2.273 0.003 . . . . . A 321 PRO HB2 . 25274 1 249 . 1 1 24 24 PRO HB3 H 1 1.975 0.002 . . . . . A 321 PRO HB3 . 25274 1 250 . 1 1 24 24 PRO HG2 H 1 2.079 0.003 . . . . . A 321 PRO HG2 . 25274 1 251 . 1 1 24 24 PRO HG3 H 1 2.021 0.004 . . . . . A 321 PRO HG3 . 25274 1 252 . 1 1 24 24 PRO HD2 H 1 3.803 0.004 . . . . . A 321 PRO HD2 . 25274 1 253 . 1 1 24 24 PRO HD3 H 1 3.722 0.002 . . . . . A 321 PRO HD3 . 25274 1 254 . 1 1 24 24 PRO CA C 13 62.986 0.000 . . . . . A 321 PRO CA . 25274 1 255 . 1 1 24 24 PRO CB C 13 31.076 0.032 . . . . . A 321 PRO CB . 25274 1 256 . 1 1 24 24 PRO CG C 13 26.404 0.006 . . . . . A 321 PRO CG . 25274 1 257 . 1 1 24 24 PRO CD C 13 49.811 0.015 . . . . . A 321 PRO CD . 25274 1 258 . 1 1 25 25 SER H H 1 7.952 0.004 . . . . . A 322 SER H . 25274 1 259 . 1 1 25 25 SER HA H 1 4.502 0.003 . . . . . A 322 SER HA . 25274 1 260 . 1 1 25 25 SER HB2 H 1 3.901 0.003 . . . . . A 322 SER HB2 . 25274 1 261 . 1 1 25 25 SER HB3 H 1 3.864 0.005 . . . . . A 322 SER HB3 . 25274 1 262 . 1 1 25 25 SER CA C 13 57.313 0.000 . . . . . A 322 SER CA . 25274 1 263 . 1 1 25 25 SER CB C 13 63.691 0.010 . . . . . A 322 SER CB . 25274 1 264 . 1 1 25 25 SER N N 15 114.938 0.000 . . . . . A 322 SER N . 25274 1 265 . 1 1 26 26 LEU H H 1 7.618 0.005 . . . . . A 323 LEU H . 25274 1 266 . 1 1 26 26 LEU HA H 1 4.314 0.002 . . . . . A 323 LEU HA . 25274 1 267 . 1 1 26 26 LEU HB2 H 1 1.639 0.003 . . . . . A 323 LEU HB2 . 25274 1 268 . 1 1 26 26 LEU HB3 H 1 1.639 0.003 . . . . . A 323 LEU HB3 . 25274 1 269 . 1 1 26 26 LEU HG H 1 1.617 0.005 . . . . . A 323 LEU HG . 25274 1 270 . 1 1 26 26 LEU HD11 H 1 0.926 0.002 . . . . . A 323 LEU HD11 . 25274 1 271 . 1 1 26 26 LEU HD12 H 1 0.926 0.002 . . . . . A 323 LEU HD12 . 25274 1 272 . 1 1 26 26 LEU HD13 H 1 0.926 0.002 . . . . . A 323 LEU HD13 . 25274 1 273 . 1 1 26 26 LEU HD21 H 1 0.899 0.004 . . . . . A 323 LEU HD21 . 25274 1 274 . 1 1 26 26 LEU HD22 H 1 0.899 0.004 . . . . . A 323 LEU HD22 . 25274 1 275 . 1 1 26 26 LEU HD23 H 1 0.899 0.004 . . . . . A 323 LEU HD23 . 25274 1 276 . 1 1 26 26 LEU CA C 13 55.526 0.000 . . . . . A 323 LEU CA . 25274 1 277 . 1 1 26 26 LEU CB C 13 42.598 0.000 . . . . . A 323 LEU CB . 25274 1 278 . 1 1 26 26 LEU CG C 13 26.725 0.000 . . . . . A 323 LEU CG . 25274 1 279 . 1 1 26 26 LEU CD1 C 13 23.762 0.000 . . . . . A 323 LEU CD1 . 25274 1 280 . 1 1 26 26 LEU CD2 C 13 22.202 0.000 . . . . . A 323 LEU CD2 . 25274 1 281 . 1 1 26 26 LEU N N 15 127.432 0.000 . . . . . A 323 LEU N . 25274 1 stop_ save_