################################### # 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 15192 _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' . . . 15192 1 2 '3D HNCACB' . . . 15192 1 3 '3D CBCA(CO)NH' . . . 15192 1 5 '3D C(CO)NH' . . . 15192 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 MET HA H 1 4.945 0.003 . 1 . . . . 405 M HA . 15192 1 2 . 1 1 1 1 MET CA C 13 55.881 0.000 . 1 . . . . 405 M CA . 15192 1 3 . 1 1 1 1 MET CB C 13 33.352 0.000 . 1 . . . . 405 M CB . 15192 1 4 . 1 1 2 2 ILE H H 1 8.234 0.009 . 1 . . . . 406 I HN . 15192 1 5 . 1 1 2 2 ILE HA H 1 4.185 0.008 . 1 . . . . 406 I HA . 15192 1 6 . 1 1 2 2 ILE HB H 1 1.763 0.000 . 1 . . . . 408 I HB . 15192 1 7 . 1 1 2 2 ILE CA C 13 60.800 0.134 . 1 . . . . 406 I CA . 15192 1 8 . 1 1 2 2 ILE CB C 13 38.511 0.115 . 1 . . . . 406 I CB . 15192 1 9 . 1 1 2 2 ILE N N 15 120.860 0.021 . 1 . . . . 406 I N . 15192 1 10 . 1 1 3 3 ASP H H 1 8.581 0.006 . 1 . . . . 407 D HN . 15192 1 11 . 1 1 3 3 ASP HA H 1 4.572 0.004 . 1 . . . . 407 D HA . 15192 1 12 . 1 1 3 3 ASP HB2 H 1 2.561 0.021 . 2 . . . . 407 D HB1 . 15192 1 13 . 1 1 3 3 ASP HB3 H 1 2.693 0.016 . 2 . . . . 407 D HB2 . 15192 1 14 . 1 1 3 3 ASP CA C 13 54.026 0.076 . 1 . . . . 407 D CA . 15192 1 15 . 1 1 3 3 ASP CB C 13 40.817 0.022 . 1 . . . . 407 D CB . 15192 1 16 . 1 1 3 3 ASP N N 15 124.537 0.014 . 1 . . . . 407 D N . 15192 1 17 . 1 1 4 4 ASN HB2 H 1 2.756 0.008 . 2 . . . . 408 N HB . 15192 1 18 . 1 1 4 4 ASN HB3 H 1 2.756 0.008 . 2 . . . . 408 N HB . 15192 1 19 . 1 1 4 4 ASN H H 1 8.562 0.005 . 1 . . . . 408 N HN . 15192 1 20 . 1 1 4 4 ASN HA H 1 4.611 0.021 . 1 . . . . 408 N HA . 15192 1 21 . 1 1 4 4 ASN CA C 13 53.354 0.053 . 1 . . . . 408 N CA . 15192 1 22 . 1 1 4 4 ASN CB C 13 38.534 0.004 . 1 . . . . 408 N CB . 15192 1 23 . 1 1 4 4 ASN N N 15 119.475 0.021 . 1 . . . . 408 N N . 15192 1 24 . 1 1 5 5 GLU H H 1 8.461 0.005 . 1 . . . . 409 E HN . 15192 1 25 . 1 1 5 5 GLU HA H 1 4.181 0.000 . 1 . . . . 409 E HA . 15192 1 26 . 1 1 5 5 GLU HB2 H 1 1.986 0.011 . 2 . . . . 409 E HB . 15192 1 27 . 1 1 5 5 GLU HB3 H 1 1.986 0.011 . 2 . . . . 409 E HB . 15192 1 28 . 1 1 5 5 GLU CA C 13 56.668 0.000 . 1 . . . . 409 E CA . 15192 1 29 . 1 1 5 5 GLU CB C 13 29.764 0.068 . 1 . . . . 409 E CB . 15192 1 30 . 1 1 5 5 GLU N N 15 120.293 0.017 . 1 . . . . 409 E N . 15192 1 31 . 1 1 6 6 LYS H H 1 8.271 0.016 . 1 . . . . 410 K HN . 15192 1 32 . 1 1 6 6 LYS HA H 1 4.279 0.007 . 1 . . . . 410 K HA . 15192 1 33 . 1 1 6 6 LYS HB2 H 1 1.770 0.020 . 2 . . . . 410 K HB . 15192 1 34 . 1 1 6 6 LYS HB3 H 1 1.770 0.020 . 2 . . . . 410 K HB . 15192 1 35 . 1 1 6 6 LYS CA C 13 56.186 0.052 . 1 . . . . 410 K CA . 15192 1 36 . 1 1 6 6 LYS CB C 13 32.505 0.061 . 1 . . . . 410 K CB . 15192 1 37 . 1 1 6 6 LYS N N 15 121.478 0.041 . 1 . . . . 410 K N . 15192 1 38 . 1 1 7 7 VAL H H 1 8.236 0.005 . 1 . . . . 411 V HN . 15192 1 39 . 1 1 7 7 VAL HA H 1 4.150 0.023 . 1 . . . . 411 V HA . 15192 1 40 . 1 1 7 7 VAL HB H 1 2.092 0.091 . 1 . . . . 411 V HB . 15192 1 41 . 1 1 7 7 VAL HG11 H 1 0.934 0.000 . 1 . . . . 411 V HG1 . 15192 1 42 . 1 1 7 7 VAL HG12 H 1 0.934 0.000 . 1 . . . . 411 V HG1 . 15192 1 43 . 1 1 7 7 VAL HG13 H 1 0.934 0.000 . 1 . . . . 411 V HG1 . 15192 1 44 . 1 1 7 7 VAL HG21 H 1 0.934 0.000 . 1 . . . . 411 V HG2 . 15192 1 45 . 1 1 7 7 VAL HG22 H 1 0.934 0.000 . 1 . . . . 411 V HG2 . 15192 1 46 . 1 1 7 7 VAL HG23 H 1 0.934 0.000 . 1 . . . . 411 V HG2 . 15192 1 47 . 1 1 7 7 VAL CA C 13 62.207 0.018 . 1 . . . . 411 V CA . 15192 1 48 . 1 1 7 7 VAL CB C 13 32.447 0.029 . 1 . . . . 411 V CB . 15192 1 49 . 1 1 7 7 VAL N N 15 121.345 0.021 . 1 . . . . 411 V N . 15192 1 50 . 1 1 8 8 THR H H 1 8.395 0.009 . 1 . . . . 412 T HN . 15192 1 51 . 1 1 8 8 THR HA H 1 4.373 0.000 . 1 . . . . 412 T HA . 15192 1 52 . 1 1 8 8 THR HB H 1 4.219 0.000 . 1 . . . . 412 T HB . 15192 1 53 . 1 1 8 8 THR CA C 13 61.457 0.024 . 1 . . . . 412 T CA . 15192 1 54 . 1 1 8 8 THR CB C 13 69.562 0.061 . 1 . . . . 412 T CB . 15192 1 55 . 1 1 8 8 THR N N 15 117.638 0.020 . 1 . . . . 412 T N . 15192 1 56 . 1 1 9 9 SER H H 1 8.414 0.005 . 1 . . . . 413 S HN . 15192 1 57 . 1 1 9 9 SER HA H 1 4.426 0.007 . 1 . . . . 413 S HA . 15192 1 58 . 1 1 9 9 SER HB2 H 1 3.840 0.000 . 2 . . . . 413 S HB . 15192 1 59 . 1 1 9 9 SER HB3 H 1 3.840 0.000 . 2 . . . . 413 S HB . 15192 1 60 . 1 1 9 9 SER CA C 13 58.232 0.053 . 1 . . . . 413 S CA . 15192 1 61 . 1 1 9 9 SER CB C 13 63.483 0.045 . 1 . . . . 413 S CB . 15192 1 62 . 1 1 9 9 SER N N 15 117.795 0.020 . 1 . . . . 413 S N . 15192 1 63 . 1 1 10 10 GLY H H 1 8.502 0.005 . 1 . . . . 414 G HN . 15192 1 64 . 1 1 10 10 GLY HA2 H 1 3.916 0.006 . 1 . . . . 414 G HA# . 15192 1 65 . 1 1 10 10 GLY HA3 H 1 3.916 0.006 . 1 . . . . 414 G HA# . 15192 1 66 . 1 1 10 10 GLY CA C 13 45.012 0.095 . 1 . . . . 414 G CA . 15192 1 67 . 1 1 10 10 GLY N N 15 110.198 0.028 . 1 . . . . 414 G N . 15192 1 68 . 1 1 11 11 HIS H H 1 8.365 0.007 . 1 . . . . 415 H HN . 15192 1 69 . 1 1 11 11 HIS HA H 1 4.748 0.000 . 1 . . . . 415 H HA . 15192 1 70 . 1 1 11 11 HIS HB2 H 1 3.136 0.000 . 2 . . . . 415 H HB . 15192 1 71 . 1 1 11 11 HIS HB3 H 1 3.136 0.000 . 2 . . . . 415 H HB . 15192 1 72 . 1 1 11 11 HIS CA C 13 55.401 0.113 . 1 . . . . 415 H CA . 15192 1 73 . 1 1 11 11 HIS CB C 13 29.609 0.110 . 1 . . . . 415 H CB . 15192 1 74 . 1 1 11 11 HIS N N 15 118.264 0.008 . 1 . . . . 415 H N . 15192 1 75 . 1 1 12 12 THR H H 1 8.368 0.007 . 1 . . . . 416 T HN . 15192 1 76 . 1 1 12 12 THR HA H 1 4.417 0.000 . 1 . . . . 416 T HA . 15192 1 77 . 1 1 12 12 THR HB H 1 4.190 0.000 . 1 . . . . 416 T HB . 15192 1 78 . 1 1 12 12 THR CA C 13 61.640 0.076 . 1 . . . . 416 T CA . 15192 1 79 . 1 1 12 12 THR CB C 13 69.590 0.044 . 1 . . . . 416 T CB . 15192 1 80 . 1 1 12 12 THR N N 15 115.786 0.011 . 1 . . . . 416 T N . 15192 1 81 . 1 1 13 13 THR H H 1 8.441 0.006 . 1 . . . . 417 T HN . 15192 1 82 . 1 1 13 13 THR HA H 1 4.443 0.000 . 1 . . . . 417 T HA . 15192 1 83 . 1 1 13 13 THR HB H 1 4.222 0.000 . 1 . . . . 417 T HB . 15192 1 84 . 1 1 13 13 THR CA C 13 61.623 0.079 . 1 . . . . 417 T CA . 15192 1 85 . 1 1 13 13 THR CB C 13 69.560 0.079 . 1 . . . . 417 T CB . 15192 1 86 . 1 1 13 13 THR N N 15 116.596 0.012 . 1 . . . . 417 T N . 15192 1 87 . 1 1 14 14 THR H H 1 8.371 0.008 . 1 . . . . 418 T HN . 15192 1 88 . 1 1 14 14 THR HA H 1 4.421 0.000 . 1 . . . . 418 T HA . 15192 1 89 . 1 1 14 14 THR HB H 1 4.190 0.000 . 1 . . . . 418 T HB . 15192 1 90 . 1 1 14 14 THR CA C 13 61.550 0.123 . 1 . . . . 418 T CA . 15192 1 91 . 1 1 14 14 THR CB C 13 69.562 0.050 . 1 . . . . 418 T CB . 15192 1 92 . 1 1 14 14 THR N N 15 116.644 0.016 . 1 . . . . 418 T N . 15192 1 93 . 1 1 15 15 THR H H 1 8.310 0.012 . 1 . . . . 419 T HN . 15192 1 94 . 1 1 15 15 THR CA C 13 60.868 0.717 . 1 . . . . 419 T CA . 15192 1 95 . 1 1 15 15 THR CB C 13 70.190 0.743 . 1 . . . . 419 T CB . 15192 1 96 . 1 1 15 15 THR N N 15 117.203 0.014 . 1 . . . . 419 T N . 15192 1 97 . 1 1 16 16 ARG H H 1 8.471 0.016 . 1 . . . . 420 R HN . 15192 1 98 . 1 1 16 16 ARG CA C 13 54.758 0.039 . 1 . . . . 420 R CA . 15192 1 99 . 1 1 16 16 ARG CB C 13 34.511 0.024 . 1 . . . . 420 R CB . 15192 1 100 . 1 1 16 16 ARG N N 15 121.510 0.041 . 1 . . . . 420 R N . 15192 1 101 . 1 1 17 17 ARG H H 1 8.774 0.012 . 1 . . . . 421 R HN . 15192 1 102 . 1 1 17 17 ARG HA H 1 4.353 0.000 . 1 . . . . 421 R HA . 15192 1 103 . 1 1 17 17 ARG CA C 13 55.271 0.443 . 1 . . . . 421 R CA . 15192 1 104 . 1 1 17 17 ARG CB C 13 31.722 0.685 . 1 . . . . 421 R CB . 15192 1 105 . 1 1 17 17 ARG N N 15 122.840 0.031 . 1 . . . . 421 R N . 15192 1 106 . 1 1 18 18 SER H H 1 8.470 0.005 . 1 . . . . 422 S HN . 15192 1 107 . 1 1 18 18 SER CA C 13 57.608 0.172 . 1 . . . . 422 S CA . 15192 1 108 . 1 1 18 18 SER CB C 13 63.890 0.006 . 1 . . . . 422 S CB . 15192 1 109 . 1 1 18 18 SER N N 15 116.363 0.046 . 1 . . . . 422 S N . 15192 1 110 . 1 1 19 19 CYS H H 1 8.705 0.006 . 1 . . . . 423 C HN . 15192 1 111 . 1 1 19 19 CYS CA C 13 55.119 0.000 . 1 . . . . 423 C CA . 15192 1 112 . 1 1 19 19 CYS CB C 13 42.245 0.000 . 1 . . . . 423 C CB . 15192 1 113 . 1 1 19 19 CYS N N 15 119.901 0.007 . 1 . . . . 423 C N . 15192 1 114 . 1 1 20 20 SER H H 1 8.555 0.010 . 1 . . . . 424 S HN . 15192 1 115 . 1 1 20 20 SER CA C 13 57.674 0.000 . 1 . . . . 424 S CA . 15192 1 116 . 1 1 20 20 SER CB C 13 64.823 0.029 . 1 . . . . 424 S CB . 15192 1 117 . 1 1 20 20 SER N N 15 116.931 0.024 . 1 . . . . 424 S N . 15192 1 118 . 1 1 21 21 LYS H H 1 8.775 0.005 . 1 . . . . 425 K HN . 15192 1 119 . 1 1 21 21 LYS HA H 1 4.111 0.000 . 1 . . . . 425 K HA . 15192 1 120 . 1 1 21 21 LYS HB2 H 1 2.102 0.000 . 2 . . . . 425 K HB . 15192 1 121 . 1 1 21 21 LYS HB3 H 1 2.102 0.000 . 2 . . . . 425 K HB . 15192 1 122 . 1 1 21 21 LYS CA C 13 54.808 0.029 . 1 . . . . 425 K CA . 15192 1 123 . 1 1 21 21 LYS CB C 13 33.841 0.924 . 1 . . . . 425 K CB . 15192 1 124 . 1 1 21 21 LYS N N 15 121.844 0.028 . 1 . . . . 425 K N . 15192 1 125 . 1 1 22 22 VAL H H 1 8.638 0.023 . 1 . . . . 426 V HN . 15192 1 126 . 1 1 22 22 VAL CA C 13 61.606 0.157 . 1 . . . . 426 V CA . 15192 1 127 . 1 1 22 22 VAL CB C 13 32.582 0.259 . 1 . . . . 426 V CB . 15192 1 128 . 1 1 22 22 VAL N N 15 123.384 0.072 . 1 . . . . 426 V N . 15192 1 129 . 1 1 23 23 ILE H H 1 9.126 0.005 . 1 . . . . 427 I HN . 15192 1 130 . 1 1 23 23 ILE CA C 13 59.497 0.000 . 1 . . . . 427 I CA . 15192 1 131 . 1 1 23 23 ILE CB C 13 39.575 0.255 . 1 . . . . 427 I CB . 15192 1 132 . 1 1 23 23 ILE N N 15 126.709 0.023 . 1 . . . . 427 I N . 15192 1 133 . 1 1 24 24 THR H H 1 8.605 0.017 . 1 . . . . 428 T HN . 15192 1 134 . 1 1 24 24 THR CA C 13 61.268 0.022 . 1 . . . . 428 T CA . 15192 1 135 . 1 1 24 24 THR CB C 13 69.645 0.045 . 1 . . . . 428 T CB . 15192 1 136 . 1 1 24 24 THR N N 15 120.178 0.038 . 1 . . . . 428 T N . 15192 1 137 . 1 1 25 25 LYS H H 1 8.885 0.010 . 1 . . . . 429 K HN . 15192 1 138 . 1 1 25 25 LYS HA H 1 4.636 0.000 . 1 . . . . 429 K HA . 15192 1 139 . 1 1 25 25 LYS HB2 H 1 1.674 0.000 . 2 . . . . 429 K HB . 15192 1 140 . 1 1 25 25 LYS HB3 H 1 1.674 0.000 . 2 . . . . 429 K HB . 15192 1 141 . 1 1 25 25 LYS CA C 13 54.901 0.078 . 1 . . . . 429 K CA . 15192 1 142 . 1 1 25 25 LYS CB C 13 34.743 0.103 . 1 . . . . 429 K CB . 15192 1 143 . 1 1 25 25 LYS N N 15 126.239 0.041 . 1 . . . . 429 K N . 15192 1 144 . 1 1 26 26 THR H H 1 8.656 0.008 . 1 . . . . 430 T HN . 15192 1 145 . 1 1 26 26 THR HA H 1 4.929 0.000 . 1 . . . . 430 T HA . 15192 1 146 . 1 1 26 26 THR CA C 13 61.518 0.094 . 1 . . . . 430 T CA . 15192 1 147 . 1 1 26 26 THR CB C 13 70.030 0.038 . 1 . . . . 430 T CB . 15192 1 148 . 1 1 26 26 THR N N 15 119.118 0.031 . 1 . . . . 430 T N . 15192 1 149 . 1 1 27 27 VAL H H 1 8.808 0.005 . 1 . . . . 431 V HN . 15192 1 150 . 1 1 27 27 VAL HA H 1 4.442 0.000 . 1 . . . . 431 V HA . 15192 1 151 . 1 1 27 27 VAL CA C 13 60.278 0.105 . 1 . . . . 431 V CA . 15192 1 152 . 1 1 27 27 VAL CB C 13 34.702 0.002 . 1 . . . . 431 V CB . 15192 1 153 . 1 1 27 27 VAL N N 15 123.821 0.033 . 1 . . . . 431 V N . 15192 1 154 . 1 1 28 28 THR H H 1 8.635 0.011 . 1 . . . . 432 T HN . 15192 1 155 . 1 1 28 28 THR HA H 1 4.691 0.000 . 1 . . . . 432 T HA . 15192 1 156 . 1 1 28 28 THR CA C 13 61.543 0.143 . 1 . . . . 432 T CA . 15192 1 157 . 1 1 28 28 THR CB C 13 69.286 0.084 . 1 . . . . 432 T CB . 15192 1 158 . 1 1 28 28 THR N N 15 120.131 0.016 . 1 . . . . 432 T N . 15192 1 159 . 1 1 29 29 ASN H H 1 8.804 0.010 . 1 . . . . 433 N HN . 15192 1 160 . 1 1 29 29 ASN HA H 1 4.719 0.000 . 1 . . . . 433 N HA . 15192 1 161 . 1 1 29 29 ASN CA C 13 51.913 0.084 . 1 . . . . 433 N CA . 15192 1 162 . 1 1 29 29 ASN CB C 13 39.154 0.084 . 1 . . . . 433 N CB . 15192 1 163 . 1 1 29 29 ASN N N 15 124.867 0.030 . 1 . . . . 433 N N . 15192 1 164 . 1 1 30 30 ALA H H 1 8.720 0.011 . 1 . . . . 434 A HN . 15192 1 165 . 1 1 30 30 ALA HA H 1 4.107 0.000 . 1 . . . . 434 A HA . 15192 1 166 . 1 1 30 30 ALA HB1 H 1 1.407 0.000 . 1 . . . . 434 A HB . 15192 1 167 . 1 1 30 30 ALA HB2 H 1 1.407 0.000 . 1 . . . . 434 A HB . 15192 1 168 . 1 1 30 30 ALA HB3 H 1 1.407 0.000 . 1 . . . . 434 A HB . 15192 1 169 . 1 1 30 30 ALA CA C 13 54.294 0.034 . 1 . . . . 434 A CA . 15192 1 170 . 1 1 30 30 ALA CB C 13 18.227 0.201 . 1 . . . . 434 A CB . 15192 1 171 . 1 1 30 30 ALA N N 15 122.891 0.027 . 1 . . . . 434 A N . 15192 1 172 . 1 1 31 31 ASP H H 1 7.978 0.009 . 1 . . . . 435 D HN . 15192 1 173 . 1 1 31 31 ASP HA H 1 4.551 0.000 . 1 . . . . 435 D HA . 15192 1 174 . 1 1 31 31 ASP HB2 H 1 2.728 0.000 . 2 . . . . 435 D HB . 15192 1 175 . 1 1 31 31 ASP HB3 H 1 2.728 0.000 . 2 . . . . 435 D HB . 15192 1 176 . 1 1 31 31 ASP CA C 13 53.636 0.064 . 1 . . . . 435 D CA . 15192 1 177 . 1 1 31 31 ASP CB C 13 40.394 0.017 . 1 . . . . 435 D CB . 15192 1 178 . 1 1 31 31 ASP N N 15 115.257 0.034 . 1 . . . . 435 D N . 15192 1 179 . 1 1 32 32 GLY H H 1 8.236 0.004 . 1 . . . . 436 G HN . 15192 1 180 . 1 1 32 32 GLY HA2 H 1 4.172 0.000 . 1 . . . . 436 G HA1 . 15192 1 181 . 1 1 32 32 GLY HA3 H 1 3.559 0.000 . 1 . . . . 436 G HA2 . 15192 1 182 . 1 1 32 32 GLY CA C 13 45.012 0.070 . 1 . . . . 436 G CA . 15192 1 183 . 1 1 32 32 GLY N N 15 107.783 0.031 . 1 . . . . 436 G N . 15192 1 184 . 1 1 33 33 ARG H H 1 7.984 0.007 . 1 . . . . 437 R HN . 15192 1 185 . 1 1 33 33 ARG HA H 1 4.463 0.000 . 1 . . . . 437 R HA . 15192 1 186 . 1 1 33 33 ARG HB2 H 1 1.768 0.000 . 2 . . . . 437 R HB . 15192 1 187 . 1 1 33 33 ARG HB3 H 1 1.768 0.000 . 2 . . . . 437 R HB . 15192 1 188 . 1 1 33 33 ARG CA C 13 55.581 0.057 . 1 . . . . 437 R CA . 15192 1 189 . 1 1 33 33 ARG CB C 13 30.763 0.052 . 1 . . . . 437 R CB . 15192 1 190 . 1 1 33 33 ARG N N 15 120.973 0.024 . 1 . . . . 437 R N . 15192 1 191 . 1 1 34 34 THR H H 1 8.639 0.012 . 1 . . . . 438 T HN . 15192 1 192 . 1 1 34 34 THR HA H 1 4.318 0.000 . 1 . . . . 438 T HA . 15192 1 193 . 1 1 34 34 THR CA C 13 61.541 0.216 . 1 . . . . 438 T CA . 15192 1 194 . 1 1 34 34 THR CB C 13 69.806 0.164 . 1 . . . . 438 T CB . 15192 1 195 . 1 1 34 34 THR N N 15 117.617 0.025 . 1 . . . . 438 T N . 15192 1 196 . 1 1 35 35 GLU H H 1 8.562 0.152 . 1 . . . . 439 E HN . 15192 1 197 . 1 1 35 35 GLU CA C 13 55.396 0.272 . 1 . . . . 439 E CA . 15192 1 198 . 1 1 35 35 GLU CB C 13 31.587 0.929 . 1 . . . . 439 E CB . 15192 1 199 . 1 1 35 35 GLU N N 15 124.134 0.038 . 1 . . . . 439 E N . 15192 1 200 . 1 1 36 36 THR H H 1 8.787 0.008 . 1 . . . . 440 T HN . 15192 1 201 . 1 1 36 36 THR CA C 13 61.329 0.000 . 1 . . . . 440 T CA . 15192 1 202 . 1 1 36 36 THR CB C 13 70.284 0.087 . 1 . . . . 440 T CB . 15192 1 203 . 1 1 36 36 THR N N 15 119.267 0.023 . 1 . . . . 440 T N . 15192 1 204 . 1 1 37 37 THR H H 1 9.022 0.031 . 1 . . . . 441 T HN . 15192 1 205 . 1 1 37 37 THR CA C 13 60.734 0.707 . 1 . . . . 441 T CA . 15192 1 206 . 1 1 37 37 THR CB C 13 70.365 0.286 . 1 . . . . 441 T CB . 15192 1 207 . 1 1 37 37 THR N N 15 118.907 0.025 . 1 . . . . 441 T N . 15192 1 208 . 1 1 38 38 LYS H H 1 8.965 0.006 . 1 . . . . 442 K HN . 15192 1 209 . 1 1 38 38 LYS CA C 13 55.024 0.000 . 1 . . . . 442 K CA . 15192 1 210 . 1 1 38 38 LYS CB C 13 32.426 0.000 . 1 . . . . 442 K CB . 15192 1 211 . 1 1 38 38 LYS N N 15 124.587 0.021 . 1 . . . . 442 K N . 15192 1 212 . 1 1 39 39 GLU CA C 13 58.333 0.000 . 1 . . . . 443 E CA . 15192 1 213 . 1 1 40 40 VAL H H 1 8.648 0.000 . 1 . . . . 444 V HN . 15192 1 214 . 1 1 40 40 VAL CA C 13 61.786 0.000 . 1 . . . . 444 V CA . 15192 1 215 . 1 1 40 40 VAL CB C 13 32.093 0.000 . 1 . . . . 444 V CB . 15192 1 216 . 1 1 40 40 VAL N N 15 123.046 0.027 . 1 . . . . 444 V N . 15192 1 217 . 1 1 41 41 VAL H H 1 8.963 0.011 . 1 . . . . 445 V HN . 15192 1 218 . 1 1 41 41 VAL HB H 1 1.958 0.000 . 1 . . . . 445 V HB . 15192 1 219 . 1 1 41 41 VAL CA C 13 60.449 0.000 . 1 . . . . 445 V CA . 15192 1 220 . 1 1 41 41 VAL CB C 13 34.168 0.000 . 1 . . . . 445 V CB . 15192 1 221 . 1 1 41 41 VAL N N 15 125.687 0.046 . 1 . . . . 445 V N . 15192 1 222 . 1 1 42 42 LYS H H 1 8.639 0.013 . 1 . . . . 446 K HN . 15192 1 223 . 1 1 42 42 LYS CA C 13 55.750 0.149 . 1 . . . . 446 K CA . 15192 1 224 . 1 1 42 42 LYS CB C 13 33.255 0.036 . 1 . . . . 446 K CB . 15192 1 225 . 1 1 42 42 LYS N N 15 124.860 0.049 . 1 . . . . 446 K N . 15192 1 226 . 1 1 43 43 SER H H 1 8.544 0.053 . 1 . . . . 447 S HN . 15192 1 227 . 1 1 43 43 SER HA H 1 4.603 0.000 . 1 . . . . 447 S HA . 15192 1 228 . 1 1 43 43 SER CA C 13 57.311 0.047 . 1 . . . . 447 S CA . 15192 1 229 . 1 1 43 43 SER CB C 13 63.798 0.071 . 1 . . . . 447 S CB . 15192 1 230 . 1 1 43 43 SER N N 15 118.006 0.029 . 1 . . . . 447 S N . 15192 1 231 . 1 1 44 44 GLU H H 1 8.957 0.008 . 1 . . . . 448 E HN . 15192 1 232 . 1 1 44 44 GLU HA H 1 4.298 0.000 . 1 . . . . 448 E HA . 15192 1 233 . 1 1 44 44 GLU CA C 13 56.966 0.017 . 1 . . . . 448 E CA . 15192 1 234 . 1 1 44 44 GLU CB C 13 29.700 0.100 . 1 . . . . 448 E CB . 15192 1 235 . 1 1 44 44 GLU N N 15 124.279 0.048 . 1 . . . . 448 E N . 15192 1 236 . 1 1 45 45 ASP H H 1 8.243 0.011 . 1 . . . . 449 D HN . 15192 1 237 . 1 1 45 45 ASP HA H 1 4.613 0.000 . 1 . . . . 449 D HA . 15192 1 238 . 1 1 45 45 ASP CA C 13 53.458 0.133 . 1 . . . . 449 D CA . 15192 1 239 . 1 1 45 45 ASP CB C 13 40.900 0.042 . 1 . . . . 449 D CB . 15192 1 240 . 1 1 45 45 ASP N N 15 118.407 0.041 . 1 . . . . 449 D N . 15192 1 241 . 1 1 46 46 GLY H H 1 8.352 0.006 . 1 . . . . 450 G HN . 15192 1 242 . 1 1 46 46 GLY CA C 13 45.591 0.074 . 1 . . . . 450 G CA . 15192 1 243 . 1 1 46 46 GLY N N 15 109.271 0.019 . 1 . . . . 450 G N . 15192 1 244 . 1 1 47 47 SER H H 1 8.280 0.009 . 1 . . . . 451 S HN . 15192 1 245 . 1 1 47 47 SER CA C 13 58.926 0.143 . 1 . . . . 451 S CA . 15192 1 246 . 1 1 47 47 SER CB C 13 63.475 0.120 . 1 . . . . 451 S CB . 15192 1 247 . 1 1 47 47 SER N N 15 115.671 0.018 . 1 . . . . 451 S N . 15192 1 248 . 1 1 48 48 ASP H H 1 8.448 0.008 . 1 . . . . 452 D HN . 15192 1 249 . 1 1 48 48 ASP HA H 1 4.528 0.000 . 1 . . . . 452 D HA . 15192 1 250 . 1 1 48 48 ASP HB2 H 1 2.523 0.000 . 2 . . . . 452 D HB . 15192 1 251 . 1 1 48 48 ASP HB3 H 1 2.523 0.000 . 2 . . . . 452 D HB . 15192 1 252 . 1 1 48 48 ASP CA C 13 54.120 0.123 . 1 . . . . 452 D CA . 15192 1 253 . 1 1 48 48 ASP CB C 13 40.701 0.193 . 1 . . . . 452 D CB . 15192 1 254 . 1 1 48 48 ASP N N 15 120.893 0.017 . 1 . . . . 452 D N . 15192 1 255 . 1 1 49 49 CYS H H 1 7.991 0.007 . 1 . . . . 453 C HN . 15192 1 256 . 1 1 49 49 CYS CA C 13 56.481 1.289 . 1 . . . . 453 C CA . 15192 1 257 . 1 1 49 49 CYS CB C 13 40.332 0.867 . 1 . . . . 453 C CB . 15192 1 258 . 1 1 49 49 CYS N N 15 120.029 0.029 . 1 . . . . 453 C N . 15192 1 259 . 1 1 50 50 GLY H H 1 8.687 0.007 . 1 . . . . 454 G HN . 15192 1 260 . 1 1 50 50 GLY HA2 H 1 4.203 0.000 . 1 . . . . 454 G HA1 . 15192 1 261 . 1 1 50 50 GLY HA3 H 1 3.946 0.000 . 1 . . . . 454 G HA2 . 15192 1 262 . 1 1 50 50 GLY CA C 13 45.156 0.017 . 1 . . . . 454 G CA . 15192 1 263 . 1 1 50 50 GLY N N 15 109.960 0.021 . 1 . . . . 454 G N . 15192 1 264 . 1 1 51 51 ASP H H 1 8.363 0.008 . 1 . . . . 455 D HN . 15192 1 265 . 1 1 51 51 ASP CA C 13 54.198 0.112 . 1 . . . . 455 D CA . 15192 1 266 . 1 1 51 51 ASP CB C 13 41.038 0.041 . 1 . . . . 455 D CB . 15192 1 267 . 1 1 51 51 ASP N N 15 120.210 0.037 . 1 . . . . 455 D N . 15192 1 268 . 1 1 52 52 ALA H H 1 8.407 0.011 . 1 . . . . 456 A HN . 15192 1 269 . 1 1 52 52 ALA CA C 13 52.630 0.079 . 1 . . . . 456 A CA . 15192 1 270 . 1 1 52 52 ALA CB C 13 18.977 0.028 . 1 . . . . 456 A CB . 15192 1 271 . 1 1 52 52 ALA N N 15 123.461 0.012 . 1 . . . . 456 A N . 15192 1 272 . 1 1 53 53 ASP H H 1 8.265 0.007 . 1 . . . . 457 D HN . 15192 1 273 . 1 1 53 53 ASP CA C 13 54.018 0.048 . 1 . . . . 457 D CA . 15192 1 274 . 1 1 53 53 ASP CB C 13 40.778 0.061 . 1 . . . . 457 D CB . 15192 1 275 . 1 1 53 53 ASP N N 15 118.078 0.019 . 1 . . . . 457 D N . 15192 1 276 . 1 1 54 54 PHE H H 1 8.253 0.009 . 1 . . . . 458 F HN . 15192 1 277 . 1 1 54 54 PHE HA H 1 4.147 0.000 . 1 . . . . 458 F HA . 15192 1 278 . 1 1 54 54 PHE CA C 13 57.648 3.163 . 1 . . . . 458 F CA . 15192 1 279 . 1 1 54 54 PHE CB C 13 39.753 1.134 . 1 . . . . 458 F CB . 15192 1 280 . 1 1 54 54 PHE N N 15 117.913 0.027 . 1 . . . . 458 F N . 15192 1 281 . 1 1 55 55 ASP H H 1 8.510 0.007 . 1 . . . . 459 D HN . 15192 1 282 . 1 1 55 55 ASP CA C 13 53.849 0.131 . 1 . . . . 459 D CA . 15192 1 283 . 1 1 55 55 ASP CB C 13 40.702 0.001 . 1 . . . . 459 D CB . 15192 1 284 . 1 1 55 55 ASP N N 15 124.143 0.038 . 1 . . . . 459 D N . 15192 1 285 . 1 1 56 56 TRP H H 1 8.023 0.008 . 1 . . . . 460 W HN . 15192 1 286 . 1 1 56 56 TRP HA H 1 4.524 0.000 . 1 . . . . 460 W HA . 15192 1 287 . 1 1 56 56 TRP HB2 H 1 3.164 0.000 . 2 . . . . 460 W HB . 15192 1 288 . 1 1 56 56 TRP HB3 H 1 3.164 0.000 . 2 . . . . 460 W HB . 15192 1 289 . 1 1 56 56 TRP CA C 13 56.446 0.933 . 1 . . . . 460 W CA . 15192 1 290 . 1 1 56 56 TRP CB C 13 28.544 0.435 . 1 . . . . 460 W CB . 15192 1 291 . 1 1 56 56 TRP N N 15 121.854 0.040 . 1 . . . . 460 W N . 15192 1 292 . 1 1 57 57 HIS H H 1 8.272 0.010 . 1 . . . . 461 H HN . 15192 1 293 . 1 1 57 57 HIS HA H 1 4.341 0.000 . 1 . . . . 461 H HA . 15192 1 294 . 1 1 57 57 HIS CA C 13 55.680 0.080 . 1 . . . . 461 H CA . 15192 1 295 . 1 1 57 57 HIS CB C 13 30.733 0.011 . 1 . . . . 461 H CB . 15192 1 296 . 1 1 57 57 HIS N N 15 122.303 0.032 . 1 . . . . 461 H N . 15192 1 297 . 1 1 58 58 HIS H H 1 8.572 0.007 . 1 . . . . 462 H HN . 15192 1 298 . 1 1 58 58 HIS HA H 1 4.487 0.000 . 1 . . . . 462 H HA . 15192 1 299 . 1 1 58 58 HIS HB2 H 1 3.102 0.000 . 2 . . . . 462 H HB . 15192 1 300 . 1 1 58 58 HIS HB3 H 1 3.102 0.000 . 2 . . . . 462 H HB . 15192 1 301 . 1 1 58 58 HIS CA C 13 55.683 0.046 . 1 . . . . 462 H CA . 15192 1 302 . 1 1 58 58 HIS CB C 13 30.053 0.734 . 1 . . . . 462 H CB . 15192 1 303 . 1 1 58 58 HIS N N 15 123.102 0.039 . 1 . . . . 462 H N . 15192 1 304 . 1 1 59 59 THR H H 1 8.040 0.007 . 1 . . . . 463 T HN . 15192 1 305 . 1 1 59 59 THR HA H 1 4.255 0.000 . 1 . . . . 463 T HA . 15192 1 306 . 1 1 59 59 THR CA C 13 61.735 0.042 . 1 . . . . 463 T CA . 15192 1 307 . 1 1 59 59 THR CB C 13 69.608 0.056 . 1 . . . . 463 T CB . 15192 1 308 . 1 1 59 59 THR N N 15 114.699 0.019 . 1 . . . . 463 T N . 15192 1 309 . 1 1 60 60 PHE H H 1 8.385 0.007 . 1 . . . . 464 F HN . 15192 1 310 . 1 1 60 60 PHE CA C 13 55.240 0.000 . 1 . . . . 464 F CA . 15192 1 311 . 1 1 60 60 PHE CB C 13 38.845 0.000 . 1 . . . . 464 F CB . 15192 1 312 . 1 1 60 60 PHE N N 15 122.533 0.031 . 1 . . . . 464 F N . 15192 1 313 . 1 1 61 61 PRO CA C 13 63.042 0.000 . 1 . . . . 465 P CA . 15192 1 314 . 1 1 61 61 PRO CB C 13 31.754 0.000 . 1 . . . . 465 P CB . 15192 1 315 . 1 1 62 62 SER H H 1 8.487 0.007 . 1 . . . . 466 S HN . 15192 1 316 . 1 1 62 62 SER HA H 1 4.399 0.000 . 1 . . . . 466 S HA . 15192 1 317 . 1 1 62 62 SER HB2 H 1 3.831 0.000 . 2 . . . . 466 S HB . 15192 1 318 . 1 1 62 62 SER HB3 H 1 3.831 0.000 . 2 . . . . 466 S HB . 15192 1 319 . 1 1 62 62 SER CA C 13 58.177 0.056 . 1 . . . . 466 S CA . 15192 1 320 . 1 1 62 62 SER CB C 13 63.496 0.001 . 1 . . . . 466 S CB . 15192 1 321 . 1 1 62 62 SER N N 15 115.652 0.021 . 1 . . . . 466 S N . 15192 1 322 . 1 1 63 63 ARG H H 1 8.528 0.007 . 1 . . . . 467 R HN . 15192 1 323 . 1 1 63 63 ARG HA H 1 4.341 0.000 . 1 . . . . 467 R HA . 15192 1 324 . 1 1 63 63 ARG HB2 H 1 1.734 0.000 . 2 . . . . 467 R HB . 15192 1 325 . 1 1 63 63 ARG HB3 H 1 1.734 0.000 . 2 . . . . 467 R HB . 15192 1 326 . 1 1 63 63 ARG CA C 13 56.063 0.026 . 1 . . . . 467 R CA . 15192 1 327 . 1 1 63 63 ARG CB C 13 30.456 0.114 . 1 . . . . 467 R CB . 15192 1 328 . 1 1 63 63 ARG N N 15 122.529 0.019 . 1 . . . . 467 R N . 15192 1 329 . 1 1 64 64 GLY H H 1 8.491 0.010 . 1 . . . . 468 G HN . 15192 1 330 . 1 1 64 64 GLY HA2 H 1 3.886 0.000 . 1 . . . . 468 G HA# . 15192 1 331 . 1 1 64 64 GLY HA3 H 1 3.886 0.000 . 1 . . . . 468 G HA# . 15192 1 332 . 1 1 64 64 GLY CA C 13 45.055 0.067 . 1 . . . . 468 G CA . 15192 1 333 . 1 1 64 64 GLY N N 15 109.081 0.011 . 1 . . . . 468 G N . 15192 1 334 . 1 1 65 65 ASN H H 1 8.445 0.006 . 1 . . . . 469 N HN . 15192 1 335 . 1 1 65 65 ASN HA H 1 4.667 0.000 . 1 . . . . 469 N HA . 15192 1 336 . 1 1 65 65 ASN HB2 H 1 2.737 0.000 . 2 . . . . 469 N HB . 15192 1 337 . 1 1 65 65 ASN HB3 H 1 2.737 0.000 . 2 . . . . 469 N HB . 15192 1 338 . 1 1 65 65 ASN CA C 13 52.998 0.042 . 1 . . . . 469 N CA . 15192 1 339 . 1 1 65 65 ASN CB C 13 38.575 0.040 . 1 . . . . 469 N CB . 15192 1 340 . 1 1 65 65 ASN N N 15 118.439 0.013 . 1 . . . . 469 N N . 15192 1 341 . 1 1 66 66 LEU H H 1 8.393 0.011 . 1 . . . . 470 L HN . 15192 1 342 . 1 1 66 66 LEU HA H 1 4.225 0.000 . 1 . . . . 470 L HA . 15192 1 343 . 1 1 66 66 LEU HB2 H 1 1.571 0.000 . 2 . . . . 470 L HB . 15192 1 344 . 1 1 66 66 LEU HB3 H 1 1.571 0.000 . 2 . . . . 470 L HB . 15192 1 345 . 1 1 66 66 LEU CA C 13 55.534 0.063 . 1 . . . . 470 L CA . 15192 1 346 . 1 1 66 66 LEU CB C 13 41.648 0.045 . 1 . . . . 470 L CB . 15192 1 347 . 1 1 66 66 LEU N N 15 121.704 0.023 . 1 . . . . 470 L N . 15192 1 348 . 1 1 67 67 ASP H H 1 8.266 0.011 . 1 . . . . 471 D HN . 15192 1 349 . 1 1 67 67 ASP CA C 13 54.613 0.000 . 1 . . . . 471 D CA . 15192 1 350 . 1 1 67 67 ASP CB C 13 40.748 0.000 . 1 . . . . 471 D CB . 15192 1 351 . 1 1 67 67 ASP N N 15 119.217 0.028 . 1 . . . . 471 D N . 15192 1 352 . 1 1 68 68 ASP HA H 1 4.495 0.000 . 1 . . . . 472 D HA . 15192 1 353 . 1 1 68 68 ASP HB2 H 1 2.471 0.000 . 2 . . . . 472 D HB . 15192 1 354 . 1 1 68 68 ASP HB3 H 1 2.471 0.000 . 2 . . . . 472 D HB . 15192 1 355 . 1 1 68 68 ASP CA C 13 54.358 0.000 . 1 . . . . 472 D CA . 15192 1 356 . 1 1 68 68 ASP CB C 13 40.742 0.000 . 1 . . . . 472 D CB . 15192 1 357 . 1 1 69 69 PHE H H 1 8.119 0.025 . 1 . . . . 473 F HN . 15192 1 358 . 1 1 69 69 PHE CA C 13 58.370 0.018 . 1 . . . . 473 F CA . 15192 1 359 . 1 1 69 69 PHE CB C 13 39.127 0.093 . 1 . . . . 473 F CB . 15192 1 360 . 1 1 69 69 PHE N N 15 119.575 0.045 . 1 . . . . 473 F N . 15192 1 361 . 1 1 70 70 PHE H H 1 8.094 0.014 . 1 . . . . 474 F HN . 15192 1 362 . 1 1 70 70 PHE CA C 13 57.870 0.012 . 1 . . . . 474 F CA . 15192 1 363 . 1 1 70 70 PHE CB C 13 39.264 0.267 . 1 . . . . 474 F CB . 15192 1 364 . 1 1 70 70 PHE N N 15 118.882 0.026 . 1 . . . . 474 F N . 15192 1 365 . 1 1 71 71 HIS H H 1 8.245 0.007 . 1 . . . . 475 H HN . 15192 1 366 . 1 1 71 71 HIS CA C 13 55.636 2.148 . 1 . . . . 475 H CA . 15192 1 367 . 1 1 71 71 HIS CB C 13 30.734 1.827 . 1 . . . . 475 H CB . 15192 1 368 . 1 1 71 71 HIS N N 15 121.853 0.054 . 1 . . . . 475 H N . 15192 1 369 . 1 1 72 72 ARG H H 1 8.153 0.008 . 1 . . . . 476 R HN . 15192 1 370 . 1 1 72 72 ARG CA C 13 55.935 0.168 . 1 . . . . 476 R CA . 15192 1 371 . 1 1 72 72 ARG CB C 13 29.662 1.179 . 1 . . . . 476 R CB . 15192 1 372 . 1 1 72 72 ARG N N 15 117.822 0.022 . 1 . . . . 476 R N . 15192 1 373 . 1 1 73 73 ASP H H 1 8.624 0.010 . 1 . . . . 477 D HN . 15192 1 374 . 1 1 73 73 ASP CA C 13 54.209 0.000 . 1 . . . . 477 D CA . 15192 1 375 . 1 1 73 73 ASP CB C 13 41.020 0.000 . 1 . . . . 477 D CB . 15192 1 376 . 1 1 73 73 ASP N N 15 121.561 0.010 . 1 . . . . 477 D N . 15192 1 377 . 1 1 74 74 LYS H H 1 8.313 0.019 . 1 . . . . 478 K HN . 15192 1 378 . 1 1 74 74 LYS N N 15 120.514 0.039 . 1 . . . . 478 K N . 15192 1 379 . 1 1 75 75 ASP H H 1 8.373 0.007 . 1 . . . . 479 D HN . 15192 1 380 . 1 1 75 75 ASP N N 15 120.476 0.020 . 1 . . . . 479 D N . 15192 1 381 . 1 1 76 76 ASP HA H 1 4.512 0.000 . 1 . . . . 480 D HA . 15192 1 382 . 1 1 76 76 ASP HB2 H 1 2.546 0.000 . 2 . . . . 480 D HB . 15192 1 383 . 1 1 76 76 ASP HB3 H 1 2.546 0.000 . 2 . . . . 480 D HB . 15192 1 384 . 1 1 76 76 ASP CA C 13 54.105 0.000 . 1 . . . . 480 D CA . 15192 1 385 . 1 1 76 76 ASP CB C 13 40.809 0.000 . 1 . . . . 480 D CB . 15192 1 386 . 1 1 77 77 PHE H H 1 8.092 0.022 . 1 . . . . 481 F HN . 15192 1 387 . 1 1 77 77 PHE HA H 1 4.316 0.000 . 1 . . . . 481 F HA . 15192 1 388 . 1 1 77 77 PHE HB2 H 1 2.878 0.000 . 2 . . . . 481 F HB . 15192 1 389 . 1 1 77 77 PHE HB3 H 1 2.878 0.000 . 2 . . . . 481 F HB . 15192 1 390 . 1 1 77 77 PHE CA C 13 57.616 0.103 . 1 . . . . 481 F CA . 15192 1 391 . 1 1 77 77 PHE CB C 13 39.275 0.125 . 1 . . . . 481 F CB . 15192 1 392 . 1 1 77 77 PHE N N 15 119.544 0.037 . 1 . . . . 481 F N . 15192 1 393 . 1 1 78 78 PHE H H 1 8.188 0.046 . 1 . . . . 482 F HN . 15192 1 394 . 1 1 78 78 PHE HA H 1 4.641 0.000 . 1 . . . . 482 F HA . 15192 1 395 . 1 1 78 78 PHE HB2 H 1 3.152 0.000 . 2 . . . . 482 F HB1 . 15192 1 396 . 1 1 78 78 PHE HB3 H 1 2.932 0.000 . 2 . . . . 482 F HB2 . 15192 1 397 . 1 1 78 78 PHE CA C 13 57.441 0.019 . 1 . . . . 482 F CA . 15192 1 398 . 1 1 78 78 PHE CB C 13 39.373 0.088 . 1 . . . . 482 F CB . 15192 1 399 . 1 1 78 78 PHE N N 15 120.306 0.764 . 1 . . . . 482 F N . 15192 1 400 . 1 1 79 79 THR H H 1 7.724 0.005 . 1 . . . . 483 T HN . 15192 1 401 . 1 1 79 79 THR CA C 13 63.016 0.000 . 1 . . . . 483 T CA . 15192 1 402 . 1 1 79 79 THR CB C 13 70.404 0.000 . 1 . . . . 483 T CB . 15192 1 403 . 1 1 79 79 THR N N 15 120.060 0.013 . 1 . . . . 483 T N . 15192 1 stop_ save_