################################### # 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 31074 _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 $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 '2D CC' . . . 31074 1 2 '2D NCA' . . . 31074 1 3 '3D CCC' . . . 31074 1 4 '3D NCACX' . . . 31074 1 5 '2D NCOCX' . . . 31074 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 79 79 GLN CB C 13 31.659 . . . . . . . A 276 GLN CB . 31074 1 2 . 1 . 1 79 79 GLN CG C 13 32.826 . . . . . . . A 276 GLN CG . 31074 1 3 . 1 . 1 79 79 GLN CD C 13 177.483 . . . . . . . A 276 GLN CD . 31074 1 4 . 1 . 1 79 79 GLN N N 15 129.856 . . . . . . . A 276 GLN N . 31074 1 5 . 1 . 1 80 80 ILE C C 13 171.612 . . . . . . . A 277 ILE C . 31074 1 6 . 1 . 1 80 80 ILE CA C 13 57.688 . . . . . . . A 277 ILE CA . 31074 1 7 . 1 . 1 80 80 ILE CB C 13 40.08 . . . . . . . A 277 ILE CB . 31074 1 8 . 1 . 1 80 80 ILE CG1 C 13 25.948 . . . . . . . A 277 ILE CG1 . 31074 1 9 . 1 . 1 80 80 ILE CG2 C 13 15.749 . . . . . . . A 277 ILE CG2 . 31074 1 10 . 1 . 1 80 80 ILE CD1 C 13 13.907 . . . . . . . A 277 ILE CD1 . 31074 1 11 . 1 . 1 80 80 ILE N N 15 126.721 . . . . . . . A 277 ILE N . 31074 1 12 . 1 . 1 81 81 ILE C C 13 171.134 . . . . . . . A 278 ILE C . 31074 1 13 . 1 . 1 81 81 ILE CA C 13 57.473 . . . . . . . A 278 ILE CA . 31074 1 14 . 1 . 1 81 81 ILE CB C 13 38.534 . . . . . . . A 278 ILE CB . 31074 1 15 . 1 . 1 81 81 ILE CG1 C 13 25.848 . . . . . . . A 278 ILE CG1 . 31074 1 16 . 1 . 1 81 81 ILE CG2 C 13 15.577 . . . . . . . A 278 ILE CG2 . 31074 1 17 . 1 . 1 81 81 ILE CD1 C 13 10.71 . . . . . . . A 278 ILE CD1 . 31074 1 18 . 1 . 1 81 81 ILE N N 15 127.261 . . . . . . . A 278 ILE N . 31074 1 19 . 1 . 1 82 82 ASN C C 13 170.534 . . . . . . . A 279 ASN C . 31074 1 20 . 1 . 1 82 82 ASN CA C 13 50.091 . . . . . . . A 279 ASN CA . 31074 1 21 . 1 . 1 82 82 ASN CB C 13 38.754 . . . . . . . A 279 ASN CB . 31074 1 22 . 1 . 1 82 82 ASN CG C 13 174.155 . . . . . . . A 279 ASN CG . 31074 1 23 . 1 . 1 82 82 ASN N N 15 127.136 . . . . . . . A 279 ASN N . 31074 1 24 . 1 . 1 82 82 ASN ND2 N 15 116.74 . . . . . . . A 279 ASN ND2 . 31074 1 25 . 1 . 1 83 83 LYS C C 13 173.024 . . . . . . . A 280 LYS C . 31074 1 26 . 1 . 1 83 83 LYS CA C 13 52.058 . . . . . . . A 280 LYS CA . 31074 1 27 . 1 . 1 83 83 LYS CB C 13 35.439 . . . . . . . A 280 LYS CB . 31074 1 28 . 1 . 1 83 83 LYS CG C 13 24.044 . . . . . . . A 280 LYS CG . 31074 1 29 . 1 . 1 83 83 LYS CD C 13 28.128 . . . . . . . A 280 LYS CD . 31074 1 30 . 1 . 1 83 83 LYS N N 15 123.178 . . . . . . . A 280 LYS N . 31074 1 31 . 1 . 1 84 84 LYS C C 13 172.876 . . . . . . . A 281 LYS C . 31074 1 32 . 1 . 1 84 84 LYS CA C 13 55.342 . . . . . . . A 281 LYS CA . 31074 1 33 . 1 . 1 84 84 LYS CB C 13 33.668 . . . . . . . A 281 LYS CB . 31074 1 34 . 1 . 1 84 84 LYS CG C 13 24.456 . . . . . . . A 281 LYS CG . 31074 1 35 . 1 . 1 84 84 LYS CD C 13 27.217 . . . . . . . A 281 LYS CD . 31074 1 36 . 1 . 1 84 84 LYS N N 15 124.027 . . . . . . . A 281 LYS N . 31074 1 37 . 1 . 1 85 85 LEU C C 13 173.355 . . . . . . . A 282 LEU C . 31074 1 38 . 1 . 1 85 85 LEU CA C 13 51.668 . . . . . . . A 282 LEU CA . 31074 1 39 . 1 . 1 85 85 LEU CB C 13 41.748 . . . . . . . A 282 LEU CB . 31074 1 40 . 1 . 1 85 85 LEU CG C 13 27.013 . . . . . . . A 282 LEU CG . 31074 1 41 . 1 . 1 85 85 LEU CD2 C 13 23.487 . . . . . . . A 282 LEU CD2 . 31074 1 42 . 1 . 1 85 85 LEU N N 15 122.408 . . . . . . . A 282 LEU N . 31074 1 43 . 1 . 1 86 86 ASP C C 13 174.134 . . . . . . . A 283 ASP C . 31074 1 44 . 1 . 1 86 86 ASP CA C 13 50.753 . . . . . . . A 283 ASP CA . 31074 1 45 . 1 . 1 86 86 ASP CB C 13 42.553 . . . . . . . A 283 ASP CB . 31074 1 46 . 1 . 1 86 86 ASP CG C 13 177.688 . . . . . . . A 283 ASP CG . 31074 1 47 . 1 . 1 86 86 ASP N N 15 123.586 . . . . . . . A 283 ASP N . 31074 1 48 . 1 . 1 87 87 LEU C C 13 172.43 . . . . . . . A 284 LEU C . 31074 1 49 . 1 . 1 87 87 LEU CA C 13 53.991 . . . . . . . A 284 LEU CA . 31074 1 50 . 1 . 1 87 87 LEU CB C 13 39.035 . . . . . . . A 284 LEU CB . 31074 1 51 . 1 . 1 87 87 LEU CG C 13 25.368 . . . . . . . A 284 LEU CG . 31074 1 52 . 1 . 1 87 87 LEU CD1 C 13 23.544 . . . . . . . A 284 LEU CD1 . 31074 1 53 . 1 . 1 87 87 LEU CD2 C 13 23.635 . . . . . . . A 284 LEU CD2 . 31074 1 54 . 1 . 1 87 87 LEU N N 15 127.285 . . . . . . . A 284 LEU N . 31074 1 55 . 1 . 1 88 88 SER C C 13 168.644 . . . . . . . A 285 SER C . 31074 1 56 . 1 . 1 88 88 SER CA C 13 57.16 . . . . . . . A 285 SER CA . 31074 1 57 . 1 . 1 88 88 SER CB C 13 65.985 . . . . . . . A 285 SER CB . 31074 1 58 . 1 . 1 88 88 SER N N 15 107.104 . . . . . . . A 285 SER N . 31074 1 59 . 1 . 1 89 89 ASN C C 13 170.626 . . . . . . . A 286 ASN C . 31074 1 60 . 1 . 1 89 89 ASN CA C 13 50.262 . . . . . . . A 286 ASN CA . 31074 1 61 . 1 . 1 89 89 ASN CB C 13 40.05 . . . . . . . A 286 ASN CB . 31074 1 62 . 1 . 1 89 89 ASN CG C 13 173.801 . . . . . . . A 286 ASN CG . 31074 1 63 . 1 . 1 89 89 ASN N N 15 125.649 . . . . . . . A 286 ASN N . 31074 1 64 . 1 . 1 89 89 ASN ND2 N 15 117.137 . . . . . . . A 286 ASN ND2 . 31074 1 65 . 1 . 1 90 90 VAL C C 13 172.244 . . . . . . . A 287 VAL C . 31074 1 66 . 1 . 1 90 90 VAL CA C 13 58.219 . . . . . . . A 287 VAL CA . 31074 1 67 . 1 . 1 90 90 VAL CB C 13 34.498 . . . . . . . A 287 VAL CB . 31074 1 68 . 1 . 1 90 90 VAL CG1 C 13 20.731 . . . . . . . A 287 VAL CG1 . 31074 1 69 . 1 . 1 90 90 VAL CG2 C 13 18.777 . . . . . . . A 287 VAL CG2 . 31074 1 70 . 1 . 1 90 90 VAL N N 15 125.285 . . . . . . . A 287 VAL N . 31074 1 71 . 1 . 1 91 91 GLN C C 13 174.881 . . . . . . . A 288 GLN C . 31074 1 72 . 1 . 1 91 91 GLN CA C 13 54.153 . . . . . . . A 288 GLN CA . 31074 1 73 . 1 . 1 91 91 GLN CB C 13 31.15 . . . . . . . A 288 GLN CB . 31074 1 74 . 1 . 1 91 91 GLN CG C 13 34.575 . . . . . . . A 288 GLN CG . 31074 1 75 . 1 . 1 91 91 GLN CD C 13 178.048 . . . . . . . A 288 GLN CD . 31074 1 76 . 1 . 1 91 91 GLN N N 15 124.143 . . . . . . . A 288 GLN N . 31074 1 77 . 1 . 1 91 91 GLN NE2 N 15 116.976 . . . . . . . A 288 GLN NE2 . 31074 1 78 . 1 . 1 92 92 SER C C 13 171.637 . . . . . . . A 289 SER C . 31074 1 79 . 1 . 1 92 92 SER CA C 13 54.279 . . . . . . . A 289 SER CA . 31074 1 80 . 1 . 1 92 92 SER CB C 13 63.842 . . . . . . . A 289 SER CB . 31074 1 81 . 1 . 1 92 92 SER N N 15 115.252 . . . . . . . A 289 SER N . 31074 1 82 . 1 . 1 93 93 LYS C C 13 173 . . . . . . . A 290 LYS C . 31074 1 83 . 1 . 1 93 93 LYS CA C 13 53.385 . . . . . . . A 290 LYS CA . 31074 1 84 . 1 . 1 93 93 LYS CB C 13 30.484 . . . . . . . A 290 LYS CB . 31074 1 85 . 1 . 1 93 93 LYS CG C 13 26.106 . . . . . . . A 290 LYS CG . 31074 1 86 . 1 . 1 93 93 LYS N N 15 129.928 . . . . . . . A 290 LYS N . 31074 1 87 . 1 . 1 94 94 CYS C C 13 172.13 . . . . . . . A 291 CYS C . 31074 1 88 . 1 . 1 94 94 CYS CA C 13 56.693 . . . . . . . A 291 CYS CA . 31074 1 89 . 1 . 1 94 94 CYS CB C 13 28.633 . . . . . . . A 291 CYS CB . 31074 1 90 . 1 . 1 94 94 CYS N N 15 115.192 . . . . . . . A 291 CYS N . 31074 1 91 . 1 . 1 95 95 GLY C C 13 170.82 . . . . . . . A 292 GLY C . 31074 1 92 . 1 . 1 95 95 GLY CA C 13 42.949 . . . . . . . A 292 GLY CA . 31074 1 93 . 1 . 1 95 95 GLY N N 15 113.294 . . . . . . . A 292 GLY N . 31074 1 94 . 1 . 1 96 96 SER C C 13 172.026 . . . . . . . A 293 SER C . 31074 1 95 . 1 . 1 96 96 SER CA C 13 54.555 . . . . . . . A 293 SER CA . 31074 1 96 . 1 . 1 96 96 SER CB C 13 64.745 . . . . . . . A 293 SER CB . 31074 1 97 . 1 . 1 96 96 SER N N 15 118.101 . . . . . . . A 293 SER N . 31074 1 98 . 1 . 1 97 97 LYS C C 13 172.621 . . . . . . . A 294 LYS C . 31074 1 99 . 1 . 1 97 97 LYS CA C 13 54.234 . . . . . . . A 294 LYS CA . 31074 1 100 . 1 . 1 97 97 LYS CB C 13 32.714 . . . . . . . A 294 LYS CB . 31074 1 101 . 1 . 1 97 97 LYS CG C 13 23.863 . . . . . . . A 294 LYS CG . 31074 1 102 . 1 . 1 97 97 LYS CD C 13 28.082 . . . . . . . A 294 LYS CD . 31074 1 103 . 1 . 1 97 97 LYS N N 15 124.679 . . . . . . . A 294 LYS N . 31074 1 104 . 1 . 1 98 98 ASP C C 13 171.72 . . . . . . . A 295 ASP C . 31074 1 105 . 1 . 1 98 98 ASP CA C 13 51.461 . . . . . . . A 295 ASP CA . 31074 1 106 . 1 . 1 98 98 ASP CB C 13 43.357 . . . . . . . A 295 ASP CB . 31074 1 107 . 1 . 1 98 98 ASP CG C 13 181.488 . . . . . . . A 295 ASP CG . 31074 1 108 . 1 . 1 98 98 ASP N N 15 126.815 . . . . . . . A 295 ASP N . 31074 1 109 . 1 . 1 99 99 ASN C C 13 171.687 . . . . . . . A 296 ASN C . 31074 1 110 . 1 . 1 99 99 ASN CA C 13 50.717 . . . . . . . A 296 ASN CA . 31074 1 111 . 1 . 1 99 99 ASN CB C 13 41.618 . . . . . . . A 296 ASN CB . 31074 1 112 . 1 . 1 99 99 ASN CG C 13 174.881 . . . . . . . A 296 ASN CG . 31074 1 113 . 1 . 1 99 99 ASN N N 15 121.006 . . . . . . . A 296 ASN N . 31074 1 114 . 1 . 1 100 100 ILE CA C 13 58.654 . . . . . . . A 297 ILE CA . 31074 1 115 . 1 . 1 100 100 ILE CB C 13 38.994 . . . . . . . A 297 ILE CB . 31074 1 116 . 1 . 1 100 100 ILE CG1 C 13 24.797 . . . . . . . A 297 ILE CG1 . 31074 1 117 . 1 . 1 100 100 ILE CG2 C 13 15.635 . . . . . . . A 297 ILE CG2 . 31074 1 118 . 1 . 1 100 100 ILE CD1 C 13 11.949 . . . . . . . A 297 ILE CD1 . 31074 1 119 . 1 . 1 100 100 ILE N N 15 122.068 . . . . . . . A 297 ILE N . 31074 1 120 . 1 . 1 103 103 VAL C C 13 172.244 . . . . . . . A 300 VAL C . 31074 1 121 . 1 . 1 103 103 VAL CA C 13 57.882 . . . . . . . A 300 VAL CA . 31074 1 122 . 1 . 1 103 103 VAL CB C 13 30.499 . . . . . . . A 300 VAL CB . 31074 1 123 . 1 . 1 103 103 VAL N N 15 120.786 . . . . . . . A 300 VAL N . 31074 1 124 . 1 . 1 104 104 PRO C C 13 173.448 . . . . . . . A 301 PRO C . 31074 1 125 . 1 . 1 104 104 PRO CA C 13 61.563 . . . . . . . A 301 PRO CA . 31074 1 126 . 1 . 1 104 104 PRO CB C 13 30.567 . . . . . . . A 301 PRO CB . 31074 1 127 . 1 . 1 104 104 PRO CG C 13 25.969 . . . . . . . A 301 PRO CG . 31074 1 128 . 1 . 1 104 104 PRO CD C 13 48.998 . . . . . . . A 301 PRO CD . 31074 1 129 . 1 . 1 104 104 PRO N N 15 134.403 . . . . . . . A 301 PRO N . 31074 1 130 . 1 . 1 105 105 GLY C C 13 170.134 . . . . . . . A 302 GLY C . 31074 1 131 . 1 . 1 105 105 GLY CA C 13 43.636 . . . . . . . A 302 GLY CA . 31074 1 132 . 1 . 1 105 105 GLY N N 15 105.772 . . . . . . . A 302 GLY N . 31074 1 133 . 1 . 1 106 106 GLY C C 13 173.099 . . . . . . . A 303 GLY C . 31074 1 134 . 1 . 1 106 106 GLY CA C 13 43.376 . . . . . . . A 303 GLY CA . 31074 1 135 . 1 . 1 106 106 GLY N N 15 108.578 . . . . . . . A 303 GLY N . 31074 1 136 . 1 . 1 107 107 GLY CA C 13 42.028 . . . . . . . A 304 GLY CA . 31074 1 137 . 1 . 1 107 107 GLY N N 15 112.113 . . . . . . . A 304 GLY N . 31074 1 138 . 1 . 1 108 108 SER N N 15 114.596 . . . . . . . A 305 SER N . 31074 1 139 . 1 . 1 109 109 VAL CB C 13 31.537 . . . . . . . A 306 VAL CB . 31074 1 140 . 1 . 1 110 110 GLN C C 13 172.377 . . . . . . . A 307 GLN C . 31074 1 141 . 1 . 1 110 110 GLN CA C 13 51.986 . . . . . . . A 307 GLN CA . 31074 1 142 . 1 . 1 110 110 GLN CB C 13 33.815 . . . . . . . A 307 GLN CB . 31074 1 143 . 1 . 1 110 110 GLN CG C 13 32.783 . . . . . . . A 307 GLN CG . 31074 1 144 . 1 . 1 110 110 GLN CD C 13 178.566 . . . . . . . A 307 GLN CD . 31074 1 145 . 1 . 1 110 110 GLN N N 15 126.864 . . . . . . . A 307 GLN N . 31074 1 146 . 1 . 1 111 111 ILE C C 13 172.251 . . . . . . . A 308 ILE C . 31074 1 147 . 1 . 1 111 111 ILE CA C 13 57.79 . . . . . . . A 308 ILE CA . 31074 1 148 . 1 . 1 111 111 ILE CB C 13 41.824 . . . . . . . A 308 ILE CB . 31074 1 149 . 1 . 1 111 111 ILE CG1 C 13 25.71 . . . . . . . A 308 ILE CG1 . 31074 1 150 . 1 . 1 111 111 ILE CG2 C 13 15.263 . . . . . . . A 308 ILE CG2 . 31074 1 151 . 1 . 1 111 111 ILE CD1 C 13 11.93 . . . . . . . A 308 ILE CD1 . 31074 1 152 . 1 . 1 111 111 ILE N N 15 122.47 . . . . . . . A 308 ILE N . 31074 1 153 . 1 . 1 112 112 VAL C C 13 172.223 . . . . . . . A 309 VAL C . 31074 1 154 . 1 . 1 112 112 VAL CA C 13 59.903 . . . . . . . A 309 VAL CA . 31074 1 155 . 1 . 1 112 112 VAL CB C 13 31.96 . . . . . . . A 309 VAL CB . 31074 1 156 . 1 . 1 112 112 VAL CG1 C 13 20.582 . . . . . . . A 309 VAL CG1 . 31074 1 157 . 1 . 1 112 112 VAL CG2 C 13 20.547 . . . . . . . A 309 VAL CG2 . 31074 1 158 . 1 . 1 112 112 VAL N N 15 128.244 . . . . . . . A 309 VAL N . 31074 1 159 . 1 . 1 113 113 TYR C C 13 170.026 . . . . . . . A 310 TYR C . 31074 1 160 . 1 . 1 113 113 TYR CA C 13 55.903 . . . . . . . A 310 TYR CA . 31074 1 161 . 1 . 1 113 113 TYR CB C 13 40.827 . . . . . . . A 310 TYR CB . 31074 1 162 . 1 . 1 113 113 TYR CG C 13 130.502 . . . . . . . A 310 TYR CG . 31074 1 163 . 1 . 1 113 113 TYR CZ C 13 157.547 . . . . . . . A 310 TYR CZ . 31074 1 164 . 1 . 1 113 113 TYR N N 15 130.588 . . . . . . . A 310 TYR N . 31074 1 165 . 1 . 1 114 114 LYS C C 13 169.024 . . . . . . . A 311 LYS C . 31074 1 166 . 1 . 1 114 114 LYS CA C 13 55.637 . . . . . . . A 311 LYS CA . 31074 1 167 . 1 . 1 114 114 LYS CB C 13 31.207 . . . . . . . A 311 LYS CB . 31074 1 168 . 1 . 1 114 114 LYS CG C 13 25.401 . . . . . . . A 311 LYS CG . 31074 1 169 . 1 . 1 114 114 LYS CD C 13 30.108 . . . . . . . A 311 LYS CD . 31074 1 170 . 1 . 1 114 114 LYS CE C 13 40.931 . . . . . . . A 311 LYS CE . 31074 1 171 . 1 . 1 114 114 LYS N N 15 128.517 . . . . . . . A 311 LYS N . 31074 1 172 . 1 . 1 115 115 PRO C C 13 174.514 . . . . . . . A 312 PRO C . 31074 1 173 . 1 . 1 115 115 PRO CA C 13 61.359 . . . . . . . A 312 PRO CA . 31074 1 174 . 1 . 1 115 115 PRO CB C 13 30.407 . . . . . . . A 312 PRO CB . 31074 1 175 . 1 . 1 115 115 PRO CG C 13 26.511 . . . . . . . A 312 PRO CG . 31074 1 176 . 1 . 1 115 115 PRO CD C 13 47.851 . . . . . . . A 312 PRO CD . 31074 1 177 . 1 . 1 115 115 PRO N N 15 131.492 . . . . . . . A 312 PRO N . 31074 1 178 . 1 . 1 116 116 VAL C C 13 172.377 . . . . . . . A 313 VAL C . 31074 1 179 . 1 . 1 116 116 VAL CA C 13 60.62 . . . . . . . A 313 VAL CA . 31074 1 180 . 1 . 1 116 116 VAL CB C 13 33.589 . . . . . . . A 313 VAL CB . 31074 1 181 . 1 . 1 116 116 VAL CG1 C 13 19.66 . . . . . . . A 313 VAL CG1 . 31074 1 182 . 1 . 1 116 116 VAL CG2 C 13 18.83 . . . . . . . A 313 VAL CG2 . 31074 1 183 . 1 . 1 116 116 VAL N N 15 122.958 . . . . . . . A 313 VAL N . 31074 1 184 . 1 . 1 117 117 ASP C C 13 171.487 . . . . . . . A 314 ASP C . 31074 1 185 . 1 . 1 117 117 ASP CA C 13 51.688 . . . . . . . A 314 ASP CA . 31074 1 186 . 1 . 1 117 117 ASP CB C 13 41.774 . . . . . . . A 314 ASP CB . 31074 1 187 . 1 . 1 117 117 ASP CG C 13 179.908 . . . . . . . A 314 ASP CG . 31074 1 188 . 1 . 1 117 117 ASP N N 15 130.651 . . . . . . . A 314 ASP N . 31074 1 189 . 1 . 1 118 118 LEU C C 13 175.137 . . . . . . . A 315 LEU C . 31074 1 190 . 1 . 1 118 118 LEU CA C 13 51.149 . . . . . . . A 315 LEU CA . 31074 1 191 . 1 . 1 118 118 LEU CB C 13 40.235 . . . . . . . A 315 LEU CB . 31074 1 192 . 1 . 1 118 118 LEU CG C 13 25.121 . . . . . . . A 315 LEU CG . 31074 1 193 . 1 . 1 118 118 LEU CD1 C 13 24.32 . . . . . . . A 315 LEU CD1 . 31074 1 194 . 1 . 1 118 118 LEU CD2 C 13 23.2 . . . . . . . A 315 LEU CD2 . 31074 1 195 . 1 . 1 118 118 LEU N N 15 122.061 . . . . . . . A 315 LEU N . 31074 1 196 . 1 . 1 119 119 SER C C 13 170.718 . . . . . . . A 316 SER C . 31074 1 197 . 1 . 1 119 119 SER CA C 13 55.423 . . . . . . . A 316 SER CA . 31074 1 198 . 1 . 1 119 119 SER CB C 13 65.861 . . . . . . . A 316 SER CB . 31074 1 199 . 1 . 1 119 119 SER N N 15 117.776 . . . . . . . A 316 SER N . 31074 1 200 . 1 . 1 120 120 LYS C C 13 173.129 . . . . . . . A 317 LYS C . 31074 1 201 . 1 . 1 120 120 LYS CA C 13 53.285 . . . . . . . A 317 LYS CA . 31074 1 202 . 1 . 1 120 120 LYS CB C 13 36.535 . . . . . . . A 317 LYS CB . 31074 1 203 . 1 . 1 120 120 LYS CG C 13 28.635 . . . . . . . A 317 LYS CG . 31074 1 204 . 1 . 1 120 120 LYS CD C 13 23.958 . . . . . . . A 317 LYS CD . 31074 1 205 . 1 . 1 120 120 LYS CE C 13 39.972 . . . . . . . A 317 LYS CE . 31074 1 206 . 1 . 1 120 120 LYS N N 15 121.787 . . . . . . . A 317 LYS N . 31074 1 207 . 1 . 1 121 121 VAL C C 13 173.552 . . . . . . . A 318 VAL C . 31074 1 208 . 1 . 1 121 121 VAL CA C 13 59.316 . . . . . . . A 318 VAL CA . 31074 1 209 . 1 . 1 121 121 VAL CB C 13 33.412 . . . . . . . A 318 VAL CB . 31074 1 210 . 1 . 1 121 121 VAL CG1 C 13 19.377 . . . . . . . A 318 VAL CG1 . 31074 1 211 . 1 . 1 121 121 VAL N N 15 128.325 . . . . . . . A 318 VAL N . 31074 1 212 . 1 . 1 122 122 THR C C 13 171.467 . . . . . . . A 319 THR C . 31074 1 213 . 1 . 1 122 122 THR CA C 13 59.349 . . . . . . . A 319 THR CA . 31074 1 214 . 1 . 1 122 122 THR CB C 13 69.219 . . . . . . . A 319 THR CB . 31074 1 215 . 1 . 1 122 122 THR N N 15 124.708 . . . . . . . A 319 THR N . 31074 1 216 . 1 . 1 123 123 SER C C 13 171.983 . . . . . . . A 320 SER C . 31074 1 217 . 1 . 1 123 123 SER CA C 13 55.026 . . . . . . . A 320 SER CA . 31074 1 218 . 1 . 1 123 123 SER CB C 13 63.014 . . . . . . . A 320 SER CB . 31074 1 219 . 1 . 1 123 123 SER N N 15 120.976 . . . . . . . A 320 SER N . 31074 1 220 . 1 . 1 172 172 LYS C C 13 173.583 . . . . . . . A 369 LYS C . 31074 1 221 . 1 . 1 173 173 LYS C C 13 171.766 . . . . . . . A 370 LYS C . 31074 1 222 . 1 . 1 173 173 LYS N N 15 118.991 . . . . . . . A 370 LYS N . 31074 1 223 . 1 . 1 174 174 ILE N N 15 119.925 . . . . . . . A 371 ILE N . 31074 1 stop_ save_