################################### # 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 30832 _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 1H-15N HSQC' . . . 30832 1 2 '3D HNCACB' . . . 30832 1 3 '3D CBCA(CO)NH' . . . 30832 1 4 '3D HNCO' . . . 30832 1 5 '3D HN(CA)CO' . . . 30832 1 6 '3D HCCH-TOCSY' . . . 30832 1 7 '3D 1H-15N NOESY' . . . 30832 1 8 '3D (H)CC(CO)NH' . . . 30832 1 9 '2D 1H-13C TROSY aromatic' . . . 30832 1 10 '2D 1H-13C HSQC' . . . 30832 1 11 '3D HNCO' . . . 30832 1 12 '3D HN(CA)CO' . . . 30832 1 13 '3D 1H-13C NOESY aliphatic' . . . 30832 1 14 '3D 1H-13C NOESY aromatic' . . . 30832 1 15 '3D HNCA' . . . 30832 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.949 . . 1 . . 403 . A 59 GLY HA2 . 30832 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.949 . . 1 . . 402 . A 59 GLY HA3 . 30832 1 3 . 1 . 1 1 1 GLY CA C 13 43.454 0.049 . 1 . . 156 . A 59 GLY CA . 30832 1 4 . 1 . 1 2 2 SER H H 1 8.668 0.002 . 1 . . 150 . A 60 SER H . 30832 1 5 . 1 . 1 2 2 SER HA H 1 4.558 0.006 . 1 . . 395 . A 60 SER HA . 30832 1 6 . 1 . 1 2 2 SER HB2 H 1 3.900 0.006 . 2 . . 393 . A 60 SER HB2 . 30832 1 7 . 1 . 1 2 2 SER HB3 H 1 3.900 0.006 . 2 . . 394 . A 60 SER HB3 . 30832 1 8 . 1 . 1 2 2 SER C C 13 173.908 0.006 . 1 . . 239 . A 60 SER C . 30832 1 9 . 1 . 1 2 2 SER CA C 13 58.248 0.113 . 1 . . 153 . A 60 SER CA . 30832 1 10 . 1 . 1 2 2 SER CB C 13 63.842 0.106 . 1 . . 887 . A 60 SER CB . 30832 1 11 . 1 . 1 2 2 SER N N 15 115.864 0.026 . 1 . . 149 . A 60 SER N . 30832 1 12 . 1 . 1 3 3 ASP H H 1 8.452 0.001 . 1 . . 151 . A 61 ASP H . 30832 1 13 . 1 . 1 3 3 ASP HA H 1 4.973 0.005 . 1 . . 468 . A 61 ASP HA . 30832 1 14 . 1 . 1 3 3 ASP HB2 H 1 2.813 0.005 . 2 . . 467 . A 61 ASP HB2 . 30832 1 15 . 1 . 1 3 3 ASP HB3 H 1 2.613 0.006 . 2 . . 469 . A 61 ASP HB3 . 30832 1 16 . 1 . 1 3 3 ASP C C 13 174.741 . . 1 . . 238 . A 61 ASP C . 30832 1 17 . 1 . 1 3 3 ASP CA C 13 52.667 0.065 . 1 . . 154 . A 61 ASP CA . 30832 1 18 . 1 . 1 3 3 ASP CB C 13 40.823 0.088 . 1 . . 155 . A 61 ASP CB . 30832 1 19 . 1 . 1 3 3 ASP N N 15 123.256 0.029 . 1 . . 152 . A 61 ASP N . 30832 1 20 . 1 . 1 4 4 PRO HA H 1 4.467 0.003 . 1 . . 761 . A 62 PRO HA . 30832 1 21 . 1 . 1 4 4 PRO HB2 H 1 2.376 0.004 . 2 . . 762 . A 62 PRO HB2 . 30832 1 22 . 1 . 1 4 4 PRO HB3 H 1 2.013 0.004 . 2 . . 763 . A 62 PRO HB3 . 30832 1 23 . 1 . 1 4 4 PRO HG2 H 1 2.090 0.001 . 2 . . 765 . A 62 PRO HG2 . 30832 1 24 . 1 . 1 4 4 PRO HG3 H 1 2.115 0.001 . 2 . . 766 . A 62 PRO HG3 . 30832 1 25 . 1 . 1 4 4 PRO HD2 H 1 3.927 0.004 . 2 . . 758 . A 62 PRO HD2 . 30832 1 26 . 1 . 1 4 4 PRO HD3 H 1 3.841 0.004 . 2 . . 759 . A 62 PRO HD3 . 30832 1 27 . 1 . 1 4 4 PRO C C 13 177.514 0.0 . 1 . . 101 . A 62 PRO C . 30832 1 28 . 1 . 1 4 4 PRO CA C 13 63.971 0.048 . 1 . . 760 . A 62 PRO CA . 30832 1 29 . 1 . 1 4 4 PRO CB C 13 32.126 0.079 . 1 . . 39 . A 62 PRO CB . 30832 1 30 . 1 . 1 4 4 PRO CG C 13 27.490 0.023 . 1 . . 764 . A 62 PRO CG . 30832 1 31 . 1 . 1 4 4 PRO CD C 13 50.832 0.041 . 1 . . 757 . A 62 PRO CD . 30832 1 32 . 1 . 1 5 5 GLU H H 1 8.598 0.001 . 1 . . 38 . A 63 GLU H . 30832 1 33 . 1 . 1 5 5 GLU HA H 1 4.312 0.002 . 1 . . 990 . A 63 GLU HA . 30832 1 34 . 1 . 1 5 5 GLU HB2 H 1 2.067 0.005 . 2 . . 993 . A 63 GLU HB2 . 30832 1 35 . 1 . 1 5 5 GLU HB3 H 1 2.154 0.004 . 2 . . 994 . A 63 GLU HB3 . 30832 1 36 . 1 . 1 5 5 GLU HG2 H 1 2.387 0.002 . 1 . . 991 . A 63 GLU HG2 . 30832 1 37 . 1 . 1 5 5 GLU HG3 H 1 2.387 0.002 . 1 . . 992 . A 63 GLU HG3 . 30832 1 38 . 1 . 1 5 5 GLU C C 13 177.215 0.018 . 1 . . 100 . A 63 GLU C . 30832 1 39 . 1 . 1 5 5 GLU CA C 13 57.399 0.054 . 1 . . 36 . A 63 GLU CA . 30832 1 40 . 1 . 1 5 5 GLU CB C 13 29.602 0.104 . 1 . . 35 . A 63 GLU CB . 30832 1 41 . 1 . 1 5 5 GLU CG C 13 36.107 0.087 . 1 . . 257 . A 63 GLU CG . 30832 1 42 . 1 . 1 5 5 GLU N N 15 119.825 0.025 . 1 . . 37 . A 63 GLU N . 30832 1 43 . 1 . 1 6 6 SER H H 1 8.282 0.001 . 1 . . 34 . A 64 SER H . 30832 1 44 . 1 . 1 6 6 SER HA H 1 4.544 0.004 . 1 . . 579 . A 64 SER HA . 30832 1 45 . 1 . 1 6 6 SER HB2 H 1 3.988 0.001 . 1 . . 580 . A 64 SER HB2 . 30832 1 46 . 1 . 1 6 6 SER HB3 H 1 3.988 0.001 . 1 . . 581 . A 64 SER HB3 . 30832 1 47 . 1 . 1 6 6 SER C C 13 174.997 0.001 . 1 . . 102 . A 64 SER C . 30832 1 48 . 1 . 1 6 6 SER CA C 13 59.202 0.032 . 1 . . 30 . A 64 SER CA . 30832 1 49 . 1 . 1 6 6 SER CB C 13 63.809 . . 1 . . 888 . A 64 SER CB . 30832 1 50 . 1 . 1 6 6 SER N N 15 116.140 0.026 . 1 . . 33 . A 64 SER N . 30832 1 51 . 1 . 1 7 7 SER H H 1 8.272 0.001 . 1 . . 29 . A 65 SER H . 30832 1 52 . 1 . 1 7 7 SER HA H 1 4.532 0.001 . 1 . . 577 . A 65 SER HA . 30832 1 53 . 1 . 1 7 7 SER HB2 H 1 4.132 0.005 . 2 . . 576 . A 65 SER HB2 . 30832 1 54 . 1 . 1 7 7 SER HB3 H 1 4.008 . . 2 . . 578 . A 65 SER HB3 . 30832 1 55 . 1 . 1 7 7 SER C C 13 175.636 0.005 . 1 . . 103 . A 65 SER C . 30832 1 56 . 1 . 1 7 7 SER CA C 13 59.245 0.029 . 1 . . 31 . A 65 SER CA . 30832 1 57 . 1 . 1 7 7 SER CB C 13 63.688 0.086 . 1 . . 32 . A 65 SER CB . 30832 1 58 . 1 . 1 7 7 SER N N 15 117.366 0.017 . 1 . . 28 . A 65 SER N . 30832 1 59 . 1 . 1 8 8 ILE H H 1 8.224 0.002 . 1 . . 105 . A 66 ILE H . 30832 1 60 . 1 . 1 8 8 ILE HA H 1 4.010 0.002 . 1 . . 412 . A 66 ILE HA . 30832 1 61 . 1 . 1 8 8 ILE HB H 1 1.974 0.003 . 1 . . 413 . A 66 ILE HB . 30832 1 62 . 1 . 1 8 8 ILE HG12 H 1 1.325 0.003 . 2 . . 415 . A 66 ILE HG12 . 30832 1 63 . 1 . 1 8 8 ILE HG13 H 1 1.656 0.0 . 2 . . 416 . A 66 ILE HG13 . 30832 1 64 . 1 . 1 8 8 ILE HG21 H 1 1.044 0.003 . 1 . . 418 . A 66 ILE HG21 . 30832 1 65 . 1 . 1 8 8 ILE HG22 H 1 1.044 0.003 . 1 . . 418 . A 66 ILE HG22 . 30832 1 66 . 1 . 1 8 8 ILE HG23 H 1 1.044 0.003 . 1 . . 418 . A 66 ILE HG23 . 30832 1 67 . 1 . 1 8 8 ILE HD11 H 1 0.952 0.003 . 1 . . 419 . A 66 ILE HD11 . 30832 1 68 . 1 . 1 8 8 ILE HD12 H 1 0.952 0.003 . 1 . . 419 . A 66 ILE HD12 . 30832 1 69 . 1 . 1 8 8 ILE HD13 H 1 0.952 0.003 . 1 . . 419 . A 66 ILE HD13 . 30832 1 70 . 1 . 1 8 8 ILE C C 13 177.082 0.003 . 1 . . 106 . A 66 ILE C . 30832 1 71 . 1 . 1 8 8 ILE CA C 13 63.620 0.057 . 1 . . 300 . A 66 ILE CA . 30832 1 72 . 1 . 1 8 8 ILE CB C 13 37.979 0.203 . 1 . . 107 . A 66 ILE CB . 30832 1 73 . 1 . 1 8 8 ILE CG1 C 13 28.399 0.033 . 1 . . 414 . A 66 ILE CG1 . 30832 1 74 . 1 . 1 8 8 ILE CG2 C 13 17.686 0.042 . 1 . . 417 . A 66 ILE CG2 . 30832 1 75 . 1 . 1 8 8 ILE CD1 C 13 13.028 0.029 . 1 . . 420 . A 66 ILE CD1 . 30832 1 76 . 1 . 1 8 8 ILE N N 15 123.851 0.019 . 1 . . 104 . A 66 ILE N . 30832 1 77 . 1 . 1 9 9 PHE H H 1 8.194 0.003 . 1 . . 297 . A 67 PHE H . 30832 1 78 . 1 . 1 9 9 PHE HA H 1 4.497 0.005 . 1 . . 889 . A 67 PHE HA . 30832 1 79 . 1 . 1 9 9 PHE HB2 H 1 3.389 0.006 . 2 . . 600 . A 67 PHE HB2 . 30832 1 80 . 1 . 1 9 9 PHE HB3 H 1 3.022 0.005 . 2 . . 601 . A 67 PHE HB3 . 30832 1 81 . 1 . 1 9 9 PHE HD1 H 1 7.221 . . 1 . . 817 . A 67 PHE HD1 . 30832 1 82 . 1 . 1 9 9 PHE HD2 H 1 7.221 . . 1 . . 817 . A 67 PHE HD2 . 30832 1 83 . 1 . 1 9 9 PHE HE1 H 1 7.268 . . 1 . . 1110 . A 67 PHE HE1 . 30832 1 84 . 1 . 1 9 9 PHE HE2 H 1 7.268 . . 1 . . 1110 . A 67 PHE HE2 . 30832 1 85 . 1 . 1 9 9 PHE HZ H 1 7.087 . . 1 . . 832 . A 67 PHE HZ . 30832 1 86 . 1 . 1 9 9 PHE C C 13 176.366 0.012 . 1 . . 298 . A 67 PHE C . 30832 1 87 . 1 . 1 9 9 PHE CA C 13 60.551 0.03 . 1 . . 299 . A 67 PHE CA . 30832 1 88 . 1 . 1 9 9 PHE CB C 13 38.863 0.229 . 1 . . 301 . A 67 PHE CB . 30832 1 89 . 1 . 1 9 9 PHE CD1 C 13 132.555 . . 1 . . 816 . A 67 PHE CD1 . 30832 1 90 . 1 . 1 9 9 PHE CD2 C 13 132.555 . . 1 . . 816 . A 67 PHE CD2 . 30832 1 91 . 1 . 1 9 9 PHE CE1 C 13 130.551 . . 1 . . 1109 . A 67 PHE CE1 . 30832 1 92 . 1 . 1 9 9 PHE CE2 C 13 130.551 . . 1 . . 1109 . A 67 PHE CE2 . 30832 1 93 . 1 . 1 9 9 PHE CZ C 13 128.455 . . 1 . . 831 . A 67 PHE CZ . 30832 1 94 . 1 . 1 9 9 PHE N N 15 120.159 0.035 . 1 . . 296 . A 67 PHE N . 30832 1 95 . 1 . 1 10 10 ILE H H 1 7.939 0.002 . 1 . . 294 . A 68 ILE H . 30832 1 96 . 1 . 1 10 10 ILE HA H 1 3.286 0.005 . 1 . . 438 . A 68 ILE HA . 30832 1 97 . 1 . 1 10 10 ILE HB H 1 2.131 0.004 . 1 . . 439 . A 68 ILE HB . 30832 1 98 . 1 . 1 10 10 ILE HG12 H 1 1.694 0.002 . 2 . . 440 . A 68 ILE HG12 . 30832 1 99 . 1 . 1 10 10 ILE HG13 H 1 1.577 0.004 . 2 . . 442 . A 68 ILE HG13 . 30832 1 100 . 1 . 1 10 10 ILE HG21 H 1 0.879 0.003 . 1 . . 444 . A 68 ILE HG21 . 30832 1 101 . 1 . 1 10 10 ILE HG22 H 1 0.879 0.003 . 1 . . 444 . A 68 ILE HG22 . 30832 1 102 . 1 . 1 10 10 ILE HG23 H 1 0.879 0.003 . 1 . . 444 . A 68 ILE HG23 . 30832 1 103 . 1 . 1 10 10 ILE HD11 H 1 0.859 0.002 . 1 . . 445 . A 68 ILE HD11 . 30832 1 104 . 1 . 1 10 10 ILE HD12 H 1 0.859 0.002 . 1 . . 445 . A 68 ILE HD12 . 30832 1 105 . 1 . 1 10 10 ILE HD13 H 1 0.859 0.002 . 1 . . 445 . A 68 ILE HD13 . 30832 1 106 . 1 . 1 10 10 ILE C C 13 177.624 0.001 . 1 . . 241 . A 68 ILE C . 30832 1 107 . 1 . 1 10 10 ILE CA C 13 63.315 0.113 . 1 . . 194 . A 68 ILE CA . 30832 1 108 . 1 . 1 10 10 ILE CB C 13 35.847 0.259 . 1 . . 295 . A 68 ILE CB . 30832 1 109 . 1 . 1 10 10 ILE CG1 C 13 28.169 0.043 . 1 . . 441 . A 68 ILE CG1 . 30832 1 110 . 1 . 1 10 10 ILE CG2 C 13 17.260 0.045 . 1 . . 443 . A 68 ILE CG2 . 30832 1 111 . 1 . 1 10 10 ILE CD1 C 13 10.857 0.023 . 1 . . 446 . A 68 ILE CD1 . 30832 1 112 . 1 . 1 10 10 ILE N N 15 118.390 0.033 . 1 . . 293 . A 68 ILE N . 30832 1 113 . 1 . 1 11 11 GLU H H 1 7.832 0.001 . 1 . . 193 . A 69 GLU H . 30832 1 114 . 1 . 1 11 11 GLU HA H 1 4.002 0.003 . 1 . . 1023 . A 69 GLU HA . 30832 1 115 . 1 . 1 11 11 GLU HB2 H 1 2.156 . . 1 . . 1027 . A 69 GLU HB2 . 30832 1 116 . 1 . 1 11 11 GLU HB3 H 1 2.156 . . 1 . . 1028 . A 69 GLU HB3 . 30832 1 117 . 1 . 1 11 11 GLU HG2 H 1 2.440 0.001 . 2 . . 1024 . A 69 GLU HG2 . 30832 1 118 . 1 . 1 11 11 GLU HG3 H 1 2.351 0.003 . 2 . . 1025 . A 69 GLU HG3 . 30832 1 119 . 1 . 1 11 11 GLU C C 13 179.870 0.001 . 1 . . 190 . A 69 GLU C . 30832 1 120 . 1 . 1 11 11 GLU CA C 13 59.764 0.034 . 1 . . 191 . A 69 GLU CA . 30832 1 121 . 1 . 1 11 11 GLU CB C 13 29.544 . . 1 . . 1026 . A 69 GLU CB . 30832 1 122 . 1 . 1 11 11 GLU CG C 13 36.057 0.109 . 1 . . 479 . A 69 GLU CG . 30832 1 123 . 1 . 1 11 11 GLU N N 15 118.186 0.025 . 1 . . 192 . A 69 GLU N . 30832 1 124 . 1 . 1 12 12 ASP H H 1 8.452 0.002 . 1 . . 189 . A 70 ASP H . 30832 1 125 . 1 . 1 12 12 ASP HA H 1 4.544 0.003 . 1 . . 747 . A 70 ASP HA . 30832 1 126 . 1 . 1 12 12 ASP HB2 H 1 2.659 0.008 . 2 . . 745 . A 70 ASP HB2 . 30832 1 127 . 1 . 1 12 12 ASP HB3 H 1 2.952 0.008 . 2 . . 746 . A 70 ASP HB3 . 30832 1 128 . 1 . 1 12 12 ASP C C 13 179.057 0.01 . 1 . . 186 . A 70 ASP C . 30832 1 129 . 1 . 1 12 12 ASP CA C 13 56.908 0.137 . 1 . . 178 . A 70 ASP CA . 30832 1 130 . 1 . 1 12 12 ASP CB C 13 39.533 0.103 . 1 . . 180 . A 70 ASP CB . 30832 1 131 . 1 . 1 12 12 ASP N N 15 120.644 0.022 . 1 . . 188 . A 70 ASP N . 30832 1 132 . 1 . 1 13 13 ALA H H 1 8.977 0.011 . 1 . . 176 . A 71 ALA H . 30832 1 133 . 1 . 1 13 13 ALA HA H 1 4.058 0.007 . 1 . . 558 . A 71 ALA HA . 30832 1 134 . 1 . 1 13 13 ALA HB1 H 1 1.209 0.005 . 1 . . 557 . A 71 ALA HB1 . 30832 1 135 . 1 . 1 13 13 ALA HB2 H 1 1.209 0.005 . 1 . . 557 . A 71 ALA HB2 . 30832 1 136 . 1 . 1 13 13 ALA HB3 H 1 1.209 0.005 . 1 . . 557 . A 71 ALA HB3 . 30832 1 137 . 1 . 1 13 13 ALA C C 13 179.599 0.004 . 1 . . 187 . A 71 ALA C . 30832 1 138 . 1 . 1 13 13 ALA CA C 13 55.357 0.054 . 1 . . 177 . A 71 ALA CA . 30832 1 139 . 1 . 1 13 13 ALA CB C 13 17.878 0.098 . 1 . . 179 . A 71 ALA CB . 30832 1 140 . 1 . 1 13 13 ALA N N 15 125.197 0.032 . 1 . . 175 . A 71 ALA N . 30832 1 141 . 1 . 1 14 14 ILE H H 1 8.676 0.002 . 1 . . 182 . A 72 ILE H . 30832 1 142 . 1 . 1 14 14 ILE HA H 1 3.765 0.004 . 1 . . 447 . A 72 ILE HA . 30832 1 143 . 1 . 1 14 14 ILE HB H 1 2.123 0.003 . 1 . . 448 . A 72 ILE HB . 30832 1 144 . 1 . 1 14 14 ILE HG12 H 1 1.702 0.004 . 2 . . 453 . A 72 ILE HG12 . 30832 1 145 . 1 . 1 14 14 ILE HG13 H 1 1.233 0.005 . 2 . . 454 . A 72 ILE HG13 . 30832 1 146 . 1 . 1 14 14 ILE HG21 H 1 0.974 0.003 . 1 . . 452 . A 72 ILE HG21 . 30832 1 147 . 1 . 1 14 14 ILE HG22 H 1 0.974 0.003 . 1 . . 452 . A 72 ILE HG22 . 30832 1 148 . 1 . 1 14 14 ILE HG23 H 1 0.974 0.003 . 1 . . 452 . A 72 ILE HG23 . 30832 1 149 . 1 . 1 14 14 ILE HD11 H 1 0.790 0.003 . 1 . . 451 . A 72 ILE HD11 . 30832 1 150 . 1 . 1 14 14 ILE HD12 H 1 0.790 0.003 . 1 . . 451 . A 72 ILE HD12 . 30832 1 151 . 1 . 1 14 14 ILE HD13 H 1 0.790 0.003 . 1 . . 451 . A 72 ILE HD13 . 30832 1 152 . 1 . 1 14 14 ILE C C 13 177.630 0.009 . 1 . . 242 . A 72 ILE C . 30832 1 153 . 1 . 1 14 14 ILE CA C 13 64.995 0.076 . 1 . . 183 . A 72 ILE CA . 30832 1 154 . 1 . 1 14 14 ILE CB C 13 37.002 0.023 . 1 . . 449 . A 72 ILE CB . 30832 1 155 . 1 . 1 14 14 ILE CG1 C 13 28.698 0.028 . 1 . . 456 . A 72 ILE CG1 . 30832 1 156 . 1 . 1 14 14 ILE CG2 C 13 17.791 0.025 . 1 . . 455 . A 72 ILE CG2 . 30832 1 157 . 1 . 1 14 14 ILE CD1 C 13 13.294 0.021 . 1 . . 450 . A 72 ILE CD1 . 30832 1 158 . 1 . 1 14 14 ILE N N 15 119.224 0.022 . 1 . . 181 . A 72 ILE N . 30832 1 159 . 1 . 1 15 15 LYS H H 1 7.666 0.002 . 1 . . 287 . A 73 LYS H . 30832 1 160 . 1 . 1 15 15 LYS HA H 1 3.950 0.004 . 1 . . 875 . A 73 LYS HA . 30832 1 161 . 1 . 1 15 15 LYS HB2 H 1 2.008 0.005 . 2 . . 878 . A 73 LYS HB2 . 30832 1 162 . 1 . 1 15 15 LYS HB3 H 1 2.049 0.001 . 2 . . 879 . A 73 LYS HB3 . 30832 1 163 . 1 . 1 15 15 LYS HG2 H 1 1.646 0.006 . 2 . . 881 . A 73 LYS HG2 . 30832 1 164 . 1 . 1 15 15 LYS HG3 H 1 1.446 0.005 . 2 . . 882 . A 73 LYS HG3 . 30832 1 165 . 1 . 1 15 15 LYS HD2 H 1 1.791 0.003 . 1 . . 883 . A 73 LYS HD2 . 30832 1 166 . 1 . 1 15 15 LYS HD3 H 1 1.791 0.003 . 1 . . 884 . A 73 LYS HD3 . 30832 1 167 . 1 . 1 15 15 LYS HE2 H 1 3.060 0.001 . 1 . . 876 . A 73 LYS HE2 . 30832 1 168 . 1 . 1 15 15 LYS HE3 H 1 3.060 0.001 . 1 . . 877 . A 73 LYS HE3 . 30832 1 169 . 1 . 1 15 15 LYS C C 13 178.215 0.001 . 1 . . 288 . A 73 LYS C . 30832 1 170 . 1 . 1 15 15 LYS CA C 13 60.512 0.05 . 1 . . 289 . A 73 LYS CA . 30832 1 171 . 1 . 1 15 15 LYS CB C 13 32.479 0.18 . 1 . . 290 . A 73 LYS CB . 30832 1 172 . 1 . 1 15 15 LYS CG C 13 25.530 0.1 . 1 . . 880 . A 73 LYS CG . 30832 1 173 . 1 . 1 15 15 LYS CD C 13 29.832 0.047 . 1 . . 885 . A 73 LYS CD . 30832 1 174 . 1 . 1 15 15 LYS CE C 13 42.387 . . 1 . . 1060 . A 73 LYS CE . 30832 1 175 . 1 . 1 15 15 LYS N N 15 119.238 0.026 . 1 . . 286 . A 73 LYS N . 30832 1 176 . 1 . 1 16 16 TYR H H 1 7.853 0.001 . 1 . . 282 . A 74 TYR H . 30832 1 177 . 1 . 1 16 16 TYR HA H 1 4.157 0.005 . 1 . . 767 . A 74 TYR HA . 30832 1 178 . 1 . 1 16 16 TYR HB2 H 1 3.114 0.001 . 2 . . 768 . A 74 TYR HB2 . 30832 1 179 . 1 . 1 16 16 TYR HB3 H 1 3.197 0.006 . 2 . . 769 . A 74 TYR HB3 . 30832 1 180 . 1 . 1 16 16 TYR HD1 H 1 6.686 . . 1 . . 771 . A 74 TYR HD1 . 30832 1 181 . 1 . 1 16 16 TYR HD2 H 1 6.686 . . 1 . . 771 . A 74 TYR HD2 . 30832 1 182 . 1 . 1 16 16 TYR HE1 H 1 6.318 . . 1 . . 773 . A 74 TYR HE1 . 30832 1 183 . 1 . 1 16 16 TYR HE2 H 1 6.318 . . 1 . . 773 . A 74 TYR HE2 . 30832 1 184 . 1 . 1 16 16 TYR C C 13 177.374 0.001 . 1 . . 280 . A 74 TYR C . 30832 1 185 . 1 . 1 16 16 TYR CA C 13 61.918 0.127 . 1 . . 283 . A 74 TYR CA . 30832 1 186 . 1 . 1 16 16 TYR CB C 13 38.033 0.132 . 1 . . 284 . A 74 TYR CB . 30832 1 187 . 1 . 1 16 16 TYR CD1 C 13 132.599 . . 1 . . 770 . A 74 TYR CD1 . 30832 1 188 . 1 . 1 16 16 TYR CD2 C 13 132.599 . . 1 . . 770 . A 74 TYR CD2 . 30832 1 189 . 1 . 1 16 16 TYR CE1 C 13 117.991 . . 1 . . 772 . A 74 TYR CE1 . 30832 1 190 . 1 . 1 16 16 TYR CE2 C 13 117.991 . . 1 . . 772 . A 74 TYR CE2 . 30832 1 191 . 1 . 1 16 16 TYR N N 15 119.438 0.016 . 1 . . 281 . A 74 TYR N . 30832 1 192 . 1 . 1 17 17 PHE H H 1 8.600 0.002 . 1 . . 277 . A 75 PHE H . 30832 1 193 . 1 . 1 17 17 PHE HA H 1 3.731 0.005 . 1 . . 470 . A 75 PHE HA . 30832 1 194 . 1 . 1 17 17 PHE HB2 H 1 2.776 0.006 . 2 . . 471 . A 75 PHE HB2 . 30832 1 195 . 1 . 1 17 17 PHE HB3 H 1 3.141 0.002 . 2 . . 472 . A 75 PHE HB3 . 30832 1 196 . 1 . 1 17 17 PHE HD1 H 1 7.531 . . 1 . . 811 . A 75 PHE HD1 . 30832 1 197 . 1 . 1 17 17 PHE HD2 H 1 7.531 . . 1 . . 811 . A 75 PHE HD2 . 30832 1 198 . 1 . 1 17 17 PHE HE1 H 1 7.136 . . 1 . . 813 . A 75 PHE HE1 . 30832 1 199 . 1 . 1 17 17 PHE HE2 H 1 7.136 . . 1 . . 813 . A 75 PHE HE2 . 30832 1 200 . 1 . 1 17 17 PHE HZ H 1 6.864 . . 1 . . 815 . A 75 PHE HZ . 30832 1 201 . 1 . 1 17 17 PHE C C 13 178.118 0.002 . 1 . . 275 . A 75 PHE C . 30832 1 202 . 1 . 1 17 17 PHE CA C 13 62.523 0.15 . 1 . . 278 . A 75 PHE CA . 30832 1 203 . 1 . 1 17 17 PHE CB C 13 39.409 0.194 . 1 . . 279 . A 75 PHE CB . 30832 1 204 . 1 . 1 17 17 PHE CD1 C 13 132.488 . . 1 . . 810 . A 75 PHE CD1 . 30832 1 205 . 1 . 1 17 17 PHE CD2 C 13 132.488 . . 1 . . 810 . A 75 PHE CD2 . 30832 1 206 . 1 . 1 17 17 PHE CE1 C 13 130.386 . . 1 . . 812 . A 75 PHE CE1 . 30832 1 207 . 1 . 1 17 17 PHE CE2 C 13 130.386 . . 1 . . 812 . A 75 PHE CE2 . 30832 1 208 . 1 . 1 17 17 PHE CZ C 13 129.295 . . 1 . . 814 . A 75 PHE CZ . 30832 1 209 . 1 . 1 17 17 PHE N N 15 118.163 0.034 . 1 . . 276 . A 75 PHE N . 30832 1 210 . 1 . 1 18 18 LYS H H 1 8.645 0.003 . 1 . . 274 . A 76 LYS H . 30832 1 211 . 1 . 1 18 18 LYS HA H 1 3.957 0.004 . 1 . . 1011 . A 76 LYS HA . 30832 1 212 . 1 . 1 18 18 LYS HB2 H 1 1.966 0.01 . 1 . . 1012 . A 76 LYS HB2 . 30832 1 213 . 1 . 1 18 18 LYS HB3 H 1 1.966 0.01 . 1 . . 1013 . A 76 LYS HB3 . 30832 1 214 . 1 . 1 18 18 LYS HG2 H 1 1.462 0.001 . 2 . . 1019 . A 76 LYS HG2 . 30832 1 215 . 1 . 1 18 18 LYS HG3 H 1 1.629 . . 2 . . 1020 . A 76 LYS HG3 . 30832 1 216 . 1 . 1 18 18 LYS HD2 H 1 1.687 0.004 . 2 . . 1017 . A 76 LYS HD2 . 30832 1 217 . 1 . 1 18 18 LYS HD3 H 1 1.687 0.004 . 2 . . 1018 . A 76 LYS HD3 . 30832 1 218 . 1 . 1 18 18 LYS HE2 H 1 2.951 0.003 . 1 . . 1014 . A 76 LYS HE2 . 30832 1 219 . 1 . 1 18 18 LYS HE3 H 1 2.951 0.003 . 1 . . 1015 . A 76 LYS HE3 . 30832 1 220 . 1 . 1 18 18 LYS C C 13 178.951 0.003 . 1 . . 272 . A 76 LYS C . 30832 1 221 . 1 . 1 18 18 LYS CA C 13 59.764 0.061 . 1 . . 230 . A 76 LYS CA . 30832 1 222 . 1 . 1 18 18 LYS CB C 13 33.297 0.008 . 1 . . 1010 . A 76 LYS CB . 30832 1 223 . 1 . 1 18 18 LYS CG C 13 25.802 . . 1 . . 1022 . A 76 LYS CG . 30832 1 224 . 1 . 1 18 18 LYS CD C 13 29.879 0.019 . 1 . . 1021 . A 76 LYS CD . 30832 1 225 . 1 . 1 18 18 LYS CE C 13 42.118 . . 1 . . 1016 . A 76 LYS CE . 30832 1 226 . 1 . 1 18 18 LYS N N 15 115.946 0.024 . 1 . . 273 . A 76 LYS N . 30832 1 227 . 1 . 1 19 19 GLU H H 1 7.903 0.002 . 1 . . 226 . A 77 GLU H . 30832 1 228 . 1 . 1 19 19 GLU HA H 1 4.277 0.006 . 1 . . 524 . A 77 GLU HA . 30832 1 229 . 1 . 1 19 19 GLU HB2 H 1 2.043 0.004 . 2 . . 525 . A 77 GLU HB2 . 30832 1 230 . 1 . 1 19 19 GLU HB3 H 1 1.985 0.004 . 2 . . 526 . A 77 GLU HB3 . 30832 1 231 . 1 . 1 19 19 GLU HG2 H 1 2.518 0.003 . 2 . . 527 . A 77 GLU HG2 . 30832 1 232 . 1 . 1 19 19 GLU HG3 H 1 2.235 0.002 . 2 . . 528 . A 77 GLU HG3 . 30832 1 233 . 1 . 1 19 19 GLU C C 13 178.764 . . 1 . . 271 . A 77 GLU C . 30832 1 234 . 1 . 1 19 19 GLU CA C 13 57.998 0.051 . 1 . . 229 . A 77 GLU CA . 30832 1 235 . 1 . 1 19 19 GLU CB C 13 31.429 0.15 . 1 . . 228 . A 77 GLU CB . 30832 1 236 . 1 . 1 19 19 GLU CG C 13 36.622 0.069 . 1 . . 523 . A 77 GLU CG . 30832 1 237 . 1 . 1 19 19 GLU N N 15 115.340 0.017 . 1 . . 227 . A 77 GLU N . 30832 1 238 . 1 . 1 20 20 LYS H H 1 8.193 0.002 . 1 . . 223 . A 78 LYS H . 30832 1 239 . 1 . 1 20 20 LYS HA H 1 4.436 0.004 . 1 . . 998 . A 78 LYS HA . 30832 1 240 . 1 . 1 20 20 LYS HB2 H 1 1.592 0.007 . 2 . . 1000 . A 78 LYS HB2 . 30832 1 241 . 1 . 1 20 20 LYS HB3 H 1 1.116 0.003 . 2 . . 1001 . A 78 LYS HB3 . 30832 1 242 . 1 . 1 20 20 LYS HG2 H 1 1.221 0.004 . 2 . . 1008 . A 78 LYS HG2 . 30832 1 243 . 1 . 1 20 20 LYS HG3 H 1 1.143 0.003 . 2 . . 1009 . A 78 LYS HG3 . 30832 1 244 . 1 . 1 20 20 LYS HD2 H 1 1.566 0.01 . 2 . . 1005 . A 78 LYS HD2 . 30832 1 245 . 1 . 1 20 20 LYS HD3 H 1 1.521 0.002 . 2 . . 1006 . A 78 LYS HD3 . 30832 1 246 . 1 . 1 20 20 LYS HE2 H 1 2.963 0.017 . 2 . . 1002 . A 78 LYS HE2 . 30832 1 247 . 1 . 1 20 20 LYS HE3 H 1 2.984 0.017 . 2 . . 1003 . A 78 LYS HE3 . 30832 1 248 . 1 . 1 20 20 LYS C C 13 176.506 0.003 . 1 . . 270 . A 78 LYS C . 30832 1 249 . 1 . 1 20 20 LYS CA C 13 55.560 0.099 . 1 . . 225 . A 78 LYS CA . 30832 1 250 . 1 . 1 20 20 LYS CB C 13 33.773 0.043 . 1 . . 999 . A 78 LYS CB . 30832 1 251 . 1 . 1 20 20 LYS CG C 13 24.681 0.037 . 1 . . 1007 . A 78 LYS CG . 30832 1 252 . 1 . 1 20 20 LYS CD C 13 28.342 0.005 . 1 . . 1004 . A 78 LYS CD . 30832 1 253 . 1 . 1 20 20 LYS CE C 13 42.439 . . 1 . . 1061 . A 78 LYS CE . 30832 1 254 . 1 . 1 20 20 LYS N N 15 114.526 0.025 . 1 . . 224 . A 78 LYS N . 30832 1 255 . 1 . 1 21 21 VAL H H 1 7.556 0.01 . 1 . . 264 . A 79 VAL H . 30832 1 256 . 1 . 1 21 21 VAL HA H 1 4.325 0.011 . 1 . . 545 . A 79 VAL HA . 30832 1 257 . 1 . 1 21 21 VAL HB H 1 2.325 0.005 . 1 . . 548 . A 79 VAL HB . 30832 1 258 . 1 . 1 21 21 VAL HG11 H 1 1.169 0.004 . 1 . . 547 . A 79 VAL HG11 . 30832 1 259 . 1 . 1 21 21 VAL HG12 H 1 1.169 0.004 . 1 . . 547 . A 79 VAL HG12 . 30832 1 260 . 1 . 1 21 21 VAL HG13 H 1 1.169 0.004 . 1 . . 547 . A 79 VAL HG13 . 30832 1 261 . 1 . 1 21 21 VAL HG21 H 1 0.488 0.003 . 1 . . 546 . A 79 VAL HG21 . 30832 1 262 . 1 . 1 21 21 VAL HG22 H 1 0.488 0.003 . 1 . . 546 . A 79 VAL HG22 . 30832 1 263 . 1 . 1 21 21 VAL HG23 H 1 0.488 0.003 . 1 . . 546 . A 79 VAL HG23 . 30832 1 264 . 1 . 1 21 21 VAL C C 13 175.212 0.015 . 1 . . 269 . A 79 VAL C . 30832 1 265 . 1 . 1 21 21 VAL CA C 13 61.392 0.163 . 1 . . 265 . A 79 VAL CA . 30832 1 266 . 1 . 1 21 21 VAL CB C 13 32.806 0.172 . 1 . . 266 . A 79 VAL CB . 30832 1 267 . 1 . 1 21 21 VAL CG1 C 13 21.140 0.039 . 1 . . 550 . A 79 VAL CG1 . 30832 1 268 . 1 . 1 21 21 VAL CG2 C 13 22.097 0.009 . 1 . . 549 . A 79 VAL CG2 . 30832 1 269 . 1 . 1 21 21 VAL N N 15 121.230 0.02 . 1 . . 263 . A 79 VAL N . 30832 1 270 . 1 . 1 22 22 SER H H 1 8.902 0.007 . 1 . . 268 . A 80 SER H . 30832 1 271 . 1 . 1 22 22 SER HA H 1 4.450 0.005 . 1 . . 574 . A 80 SER HA . 30832 1 272 . 1 . 1 22 22 SER HB2 H 1 4.115 0.006 . 2 . . 573 . A 80 SER HB2 . 30832 1 273 . 1 . 1 22 22 SER HB3 H 1 4.377 0.006 . 2 . . 575 . A 80 SER HB3 . 30832 1 274 . 1 . 1 22 22 SER C C 13 175.229 . . 1 . . 246 . A 80 SER C . 30832 1 275 . 1 . 1 22 22 SER CA C 13 57.865 0.064 . 1 . . 44 . A 80 SER CA . 30832 1 276 . 1 . 1 22 22 SER CB C 13 64.451 0.118 . 1 . . 45 . A 80 SER CB . 30832 1 277 . 1 . 1 22 22 SER N N 15 124.424 0.063 . 1 . . 267 . A 80 SER N . 30832 1 278 . 1 . 1 23 23 THR H H 1 8.737 0.002 . 1 . . 41 . A 81 THR H . 30832 1 279 . 1 . 1 23 23 THR HA H 1 3.815 0.006 . 1 . . 396 . A 81 THR HA . 30832 1 280 . 1 . 1 23 23 THR HB H 1 4.056 0.005 . 1 . . 397 . A 81 THR HB . 30832 1 281 . 1 . 1 23 23 THR HG21 H 1 1.083 0.003 . 1 . . 398 . A 81 THR HG21 . 30832 1 282 . 1 . 1 23 23 THR HG22 H 1 1.083 0.003 . 1 . . 398 . A 81 THR HG22 . 30832 1 283 . 1 . 1 23 23 THR HG23 H 1 1.083 0.003 . 1 . . 398 . A 81 THR HG23 . 30832 1 284 . 1 . 1 23 23 THR C C 13 175.880 . . 1 . . 245 . A 81 THR C . 30832 1 285 . 1 . 1 23 23 THR CA C 13 66.814 0.14 . 1 . . 42 . A 81 THR CA . 30832 1 286 . 1 . 1 23 23 THR CB C 13 68.528 0.086 . 1 . . 43 . A 81 THR CB . 30832 1 287 . 1 . 1 23 23 THR CG2 C 13 22.947 0.051 . 1 . . 399 . A 81 THR CG2 . 30832 1 288 . 1 . 1 23 23 THR N N 15 118.502 0.027 . 1 . . 40 . A 81 THR N . 30832 1 289 . 1 . 1 24 24 GLN H H 1 8.569 0.002 . 1 . . 47 . A 82 GLN H . 30832 1 290 . 1 . 1 24 24 GLN HA H 1 3.871 0.003 . 1 . . 539 . A 82 GLN HA . 30832 1 291 . 1 . 1 24 24 GLN HB2 H 1 2.026 0.011 . 2 . . 542 . A 82 GLN HB2 . 30832 1 292 . 1 . 1 24 24 GLN HB3 H 1 1.840 0.003 . 2 . . 543 . A 82 GLN HB3 . 30832 1 293 . 1 . 1 24 24 GLN HG2 H 1 2.243 0.003 . 2 . . 540 . A 82 GLN HG2 . 30832 1 294 . 1 . 1 24 24 GLN HG3 H 1 2.188 0.002 . 2 . . 541 . A 82 GLN HG3 . 30832 1 295 . 1 . 1 24 24 GLN HE21 H 1 7.197 0.002 . 1 . . 1160 . A 82 GLN HE21 . 30832 1 296 . 1 . 1 24 24 GLN HE22 H 1 6.892 . . 1 . . 1161 . A 82 GLN HE22 . 30832 1 297 . 1 . 1 24 24 GLN C C 13 177.458 0.004 . 1 . . 244 . A 82 GLN C . 30832 1 298 . 1 . 1 24 24 GLN CA C 13 59.528 0.109 . 1 . . 48 . A 82 GLN CA . 30832 1 299 . 1 . 1 24 24 GLN CB C 13 28.460 0.205 . 1 . . 49 . A 82 GLN CB . 30832 1 300 . 1 . 1 24 24 GLN CG C 13 34.081 0.084 . 1 . . 538 . A 82 GLN CG . 30832 1 301 . 1 . 1 24 24 GLN N N 15 117.776 0.04 . 1 . . 46 . A 82 GLN N . 30832 1 302 . 1 . 1 24 24 GLN NE2 N 15 111.476 0.003 . 1 . . 1159 . A 82 GLN NE2 . 30832 1 303 . 1 . 1 25 25 ASN H H 1 7.600 0.002 . 1 . . 51 . A 83 ASN H . 30832 1 304 . 1 . 1 25 25 ASN HA H 1 4.669 0.004 . 1 . . 638 . A 83 ASN HA . 30832 1 305 . 1 . 1 25 25 ASN HB2 H 1 2.549 0.007 . 2 . . 639 . A 83 ASN HB2 . 30832 1 306 . 1 . 1 25 25 ASN HB3 H 1 3.054 0.01 . 2 . . 640 . A 83 ASN HB3 . 30832 1 307 . 1 . 1 25 25 ASN HD21 H 1 7.880 . . 1 . . 735 . A 83 ASN HD21 . 30832 1 308 . 1 . 1 25 25 ASN HD22 H 1 7.206 . . 1 . . 736 . A 83 ASN HD22 . 30832 1 309 . 1 . 1 25 25 ASN C C 13 177.080 0.002 . 1 . . 243 . A 83 ASN C . 30832 1 310 . 1 . 1 25 25 ASN CA C 13 55.531 0.07 . 1 . . 52 . A 83 ASN CA . 30832 1 311 . 1 . 1 25 25 ASN CB C 13 38.184 0.142 . 1 . . 53 . A 83 ASN CB . 30832 1 312 . 1 . 1 25 25 ASN N N 15 116.883 0.045 . 1 . . 50 . A 83 ASN N . 30832 1 313 . 1 . 1 25 25 ASN ND2 N 15 112.049 0.004 . 1 . . 734 . A 83 ASN ND2 . 30832 1 314 . 1 . 1 26 26 LEU H H 1 8.304 0.002 . 1 . . 372 . A 84 LEU H . 30832 1 315 . 1 . 1 26 26 LEU HA H 1 4.069 0.005 . 1 . . 924 . A 84 LEU HA . 30832 1 316 . 1 . 1 26 26 LEU HB2 H 1 2.055 0.004 . 2 . . 926 . A 84 LEU HB2 . 30832 1 317 . 1 . 1 26 26 LEU HB3 H 1 1.648 0.004 . 2 . . 927 . A 84 LEU HB3 . 30832 1 318 . 1 . 1 26 26 LEU HG H 1 1.483 0.004 . 1 . . 928 . A 84 LEU HG . 30832 1 319 . 1 . 1 26 26 LEU HD11 H 1 0.933 0.003 . 1 . . 930 . A 84 LEU HD11 . 30832 1 320 . 1 . 1 26 26 LEU HD12 H 1 0.933 0.003 . 1 . . 930 . A 84 LEU HD12 . 30832 1 321 . 1 . 1 26 26 LEU HD13 H 1 0.933 0.003 . 1 . . 930 . A 84 LEU HD13 . 30832 1 322 . 1 . 1 26 26 LEU HD21 H 1 0.905 0.001 . 1 . . 929 . A 84 LEU HD21 . 30832 1 323 . 1 . 1 26 26 LEU HD22 H 1 0.905 0.001 . 1 . . 929 . A 84 LEU HD22 . 30832 1 324 . 1 . 1 26 26 LEU HD23 H 1 0.905 0.001 . 1 . . 929 . A 84 LEU HD23 . 30832 1 325 . 1 . 1 26 26 LEU C C 13 177.613 0.011 . 1 . . 374 . A 84 LEU C . 30832 1 326 . 1 . 1 26 26 LEU CA C 13 58.440 0.119 . 1 . . 373 . A 84 LEU CA . 30832 1 327 . 1 . 1 26 26 LEU CB C 13 41.477 0.063 . 1 . . 925 . A 84 LEU CB . 30832 1 328 . 1 . 1 26 26 LEU CG C 13 27.459 0.038 . 1 . . 931 . A 84 LEU CG . 30832 1 329 . 1 . 1 26 26 LEU CD1 C 13 24.562 0.048 . 1 . . 933 . A 84 LEU CD1 . 30832 1 330 . 1 . 1 26 26 LEU CD2 C 13 25.863 0.007 . 1 . . 932 . A 84 LEU CD2 . 30832 1 331 . 1 . 1 26 26 LEU N N 15 121.415 0.027 . 1 . . 371 . A 84 LEU N . 30832 1 332 . 1 . 1 27 27 LEU H H 1 8.112 0.001 . 1 . . 376 . A 85 LEU H . 30832 1 333 . 1 . 1 27 27 LEU HA H 1 3.780 0.01 . 1 . . 970 . A 85 LEU HA . 30832 1 334 . 1 . 1 27 27 LEU HB2 H 1 1.569 0.008 . 2 . . 972 . A 85 LEU HB2 . 30832 1 335 . 1 . 1 27 27 LEU HB3 H 1 1.270 0.008 . 2 . . 979 . A 85 LEU HB3 . 30832 1 336 . 1 . 1 27 27 LEU HG H 1 1.617 0.01 . 1 . . 973 . A 85 LEU HG . 30832 1 337 . 1 . 1 27 27 LEU HD11 H 1 0.576 0.005 . 1 . . 976 . A 85 LEU HD11 . 30832 1 338 . 1 . 1 27 27 LEU HD12 H 1 0.576 0.005 . 1 . . 976 . A 85 LEU HD12 . 30832 1 339 . 1 . 1 27 27 LEU HD13 H 1 0.576 0.005 . 1 . . 976 . A 85 LEU HD13 . 30832 1 340 . 1 . 1 27 27 LEU HD21 H 1 0.595 0.004 . 1 . . 978 . A 85 LEU HD21 . 30832 1 341 . 1 . 1 27 27 LEU HD22 H 1 0.595 0.004 . 1 . . 978 . A 85 LEU HD22 . 30832 1 342 . 1 . 1 27 27 LEU HD23 H 1 0.595 0.004 . 1 . . 978 . A 85 LEU HD23 . 30832 1 343 . 1 . 1 27 27 LEU C C 13 180.530 0.001 . 1 . . 377 . A 85 LEU C . 30832 1 344 . 1 . 1 27 27 LEU CA C 13 57.643 0.145 . 1 . . 380 . A 85 LEU CA . 30832 1 345 . 1 . 1 27 27 LEU CB C 13 41.111 0.064 . 1 . . 971 . A 85 LEU CB . 30832 1 346 . 1 . 1 27 27 LEU CG C 13 27.042 0.004 . 1 . . 974 . A 85 LEU CG . 30832 1 347 . 1 . 1 27 27 LEU CD1 C 13 24.936 0.006 . 1 . . 975 . A 85 LEU CD1 . 30832 1 348 . 1 . 1 27 27 LEU CD2 C 13 23.226 0.077 . 1 . . 977 . A 85 LEU CD2 . 30832 1 349 . 1 . 1 27 27 LEU N N 15 116.250 0.035 . 1 . . 375 . A 85 LEU N . 30832 1 350 . 1 . 1 28 28 LEU H H 1 7.725 0.002 . 1 . . 379 . A 86 LEU H . 30832 1 351 . 1 . 1 28 28 LEU C C 13 178.049 . . 1 . . 860 . A 86 LEU C . 30832 1 352 . 1 . 1 28 28 LEU CA C 13 58.170 . . 1 . . 859 . A 86 LEU CA . 30832 1 353 . 1 . 1 28 28 LEU CB C 13 39.537 . . 1 . . 381 . A 86 LEU CB . 30832 1 354 . 1 . 1 28 28 LEU N N 15 121.240 0.011 . 1 . . 378 . A 86 LEU N . 30832 1 355 . 1 . 1 29 29 LEU H H 1 7.765 0.008 . 1 . . 857 . A 87 LEU H . 30832 1 356 . 1 . 1 29 29 LEU C C 13 176.745 0.03 . 1 . . 603 . A 87 LEU C . 30832 1 357 . 1 . 1 29 29 LEU CA C 13 58.071 0.076 . 1 . . 858 . A 87 LEU CA . 30832 1 358 . 1 . 1 29 29 LEU N N 15 119.347 0.027 . 1 . . 856 . A 87 LEU N . 30832 1 359 . 1 . 1 30 30 LEU H H 1 7.631 0.004 . 1 . . 320 . A 88 LEU H . 30832 1 360 . 1 . 1 30 30 LEU HA H 1 4.031 0.004 . 1 . . 919 . A 88 LEU HA . 30832 1 361 . 1 . 1 30 30 LEU HB2 H 1 1.652 0.004 . 2 . . 916 . A 88 LEU HB2 . 30832 1 362 . 1 . 1 30 30 LEU HB3 H 1 1.433 0.006 . 2 . . 918 . A 88 LEU HB3 . 30832 1 363 . 1 . 1 30 30 LEU HG H 1 1.787 0.003 . 1 . . 920 . A 88 LEU HG . 30832 1 364 . 1 . 1 30 30 LEU HD11 H 1 0.616 0.003 . 1 . . 915 . A 88 LEU HD11 . 30832 1 365 . 1 . 1 30 30 LEU HD12 H 1 0.616 0.003 . 1 . . 915 . A 88 LEU HD12 . 30832 1 366 . 1 . 1 30 30 LEU HD13 H 1 0.616 0.003 . 1 . . 915 . A 88 LEU HD13 . 30832 1 367 . 1 . 1 30 30 LEU HD21 H 1 0.473 0.002 . 1 . . 917 . A 88 LEU HD21 . 30832 1 368 . 1 . 1 30 30 LEU HD22 H 1 0.473 0.002 . 1 . . 917 . A 88 LEU HD22 . 30832 1 369 . 1 . 1 30 30 LEU HD23 H 1 0.473 0.002 . 1 . . 917 . A 88 LEU HD23 . 30832 1 370 . 1 . 1 30 30 LEU C C 13 179.422 0.008 . 1 . . 99 . A 88 LEU C . 30832 1 371 . 1 . 1 30 30 LEU CA C 13 55.832 0.173 . 1 . . 321 . A 88 LEU CA . 30832 1 372 . 1 . 1 30 30 LEU CB C 13 42.738 0.025 . 1 . . 914 . A 88 LEU CB . 30832 1 373 . 1 . 1 30 30 LEU CG C 13 26.417 0.028 . 1 . . 922 . A 88 LEU CG . 30832 1 374 . 1 . 1 30 30 LEU CD1 C 13 25.987 0.049 . 1 . . 921 . A 88 LEU CD1 . 30832 1 375 . 1 . 1 30 30 LEU CD2 C 13 22.094 0.01 . 1 . . 923 . A 88 LEU CD2 . 30832 1 376 . 1 . 1 30 30 LEU N N 15 111.102 0.031 . 1 . . 319 . A 88 LEU N . 30832 1 377 . 1 . 1 31 31 THR H H 1 7.689 0.004 . 1 . . 98 . A 89 THR H . 30832 1 378 . 1 . 1 31 31 THR HA H 1 4.263 . . 1 . . 553 . A 89 THR HA . 30832 1 379 . 1 . 1 31 31 THR HB H 1 4.293 . . 1 . . 554 . A 89 THR HB . 30832 1 380 . 1 . 1 31 31 THR HG21 H 1 1.192 . . 1 . . 552 . A 89 THR HG21 . 30832 1 381 . 1 . 1 31 31 THR HG22 H 1 1.192 . . 1 . . 552 . A 89 THR HG22 . 30832 1 382 . 1 . 1 31 31 THR HG23 H 1 1.192 . . 1 . . 552 . A 89 THR HG23 . 30832 1 383 . 1 . 1 31 31 THR C C 13 173.694 0.004 . 1 . . 96 . A 89 THR C . 30832 1 384 . 1 . 1 31 31 THR CA C 13 63.035 0.059 . 1 . . 94 . A 89 THR CA . 30832 1 385 . 1 . 1 31 31 THR CB C 13 69.975 0.097 . 1 . . 95 . A 89 THR CB . 30832 1 386 . 1 . 1 31 31 THR CG2 C 13 21.377 . . 1 . . 551 . A 89 THR CG2 . 30832 1 387 . 1 . 1 31 31 THR N N 15 109.471 0.065 . 1 . . 97 . A 89 THR N . 30832 1 388 . 1 . 1 32 32 ASP H H 1 7.664 0.006 . 1 . . 93 . A 90 ASP H . 30832 1 389 . 1 . 1 32 32 ASP HA H 1 4.881 0.011 . 1 . . 844 . A 90 ASP HA . 30832 1 390 . 1 . 1 32 32 ASP HB2 H 1 3.193 0.005 . 2 . . 845 . A 90 ASP HB2 . 30832 1 391 . 1 . 1 32 32 ASP HB3 H 1 2.535 0.003 . 2 . . 846 . A 90 ASP HB3 . 30832 1 392 . 1 . 1 32 32 ASP C C 13 175.628 0.014 . 1 . . 91 . A 90 ASP C . 30832 1 393 . 1 . 1 32 32 ASP CA C 13 53.027 0.074 . 1 . . 90 . A 90 ASP CA . 30832 1 394 . 1 . 1 32 32 ASP CB C 13 42.273 0.047 . 1 . . 89 . A 90 ASP CB . 30832 1 395 . 1 . 1 32 32 ASP N N 15 122.476 0.023 . 1 . . 92 . A 90 ASP N . 30832 1 396 . 1 . 1 33 33 ASN H H 1 8.901 0.002 . 1 . . 88 . A 91 ASN H . 30832 1 397 . 1 . 1 33 33 ASN HA H 1 4.602 . . 1 . . 1126 . A 91 ASN HA . 30832 1 398 . 1 . 1 33 33 ASN HB2 H 1 2.913 . . 1 . . 1124 . A 91 ASN HB2 . 30832 1 399 . 1 . 1 33 33 ASN HB3 H 1 2.913 . . 1 . . 1125 . A 91 ASN HB3 . 30832 1 400 . 1 . 1 33 33 ASN HD21 H 1 7.672 . . 1 . . 1128 . A 91 ASN HD21 . 30832 1 401 . 1 . 1 33 33 ASN HD22 H 1 7.014 . . 1 . . 1129 . A 91 ASN HD22 . 30832 1 402 . 1 . 1 33 33 ASN C C 13 177.271 0.001 . 1 . . 86 . A 91 ASN C . 30832 1 403 . 1 . 1 33 33 ASN CA C 13 56.671 0.032 . 1 . . 84 . A 91 ASN CA . 30832 1 404 . 1 . 1 33 33 ASN CB C 13 38.553 0.068 . 1 . . 85 . A 91 ASN CB . 30832 1 405 . 1 . 1 33 33 ASN N N 15 124.374 0.033 . 1 . . 87 . A 91 ASN N . 30832 1 406 . 1 . 1 33 33 ASN ND2 N 15 112.255 0.002 . 1 . . 1127 . A 91 ASN ND2 . 30832 1 407 . 1 . 1 34 34 GLU H H 1 8.397 0.002 . 1 . . 83 . A 92 GLU H . 30832 1 408 . 1 . 1 34 34 GLU HA H 1 4.260 0.003 . 1 . . 481 . A 92 GLU HA . 30832 1 409 . 1 . 1 34 34 GLU HB2 H 1 2.104 0.004 . 2 . . 890 . A 92 GLU HB2 . 30832 1 410 . 1 . 1 34 34 GLU HB3 H 1 2.074 0.001 . 2 . . 891 . A 92 GLU HB3 . 30832 1 411 . 1 . 1 34 34 GLU HG2 H 1 2.311 0.001 . 2 . . 482 . A 92 GLU HG2 . 30832 1 412 . 1 . 1 34 34 GLU HG3 H 1 2.364 . . 2 . . 892 . A 92 GLU HG3 . 30832 1 413 . 1 . 1 34 34 GLU C C 13 180.046 0.012 . 1 . . 79 . A 92 GLU C . 30832 1 414 . 1 . 1 34 34 GLU CA C 13 59.468 0.128 . 1 . . 80 . A 92 GLU CA . 30832 1 415 . 1 . 1 34 34 GLU CB C 13 28.910 0.115 . 1 . . 81 . A 92 GLU CB . 30832 1 416 . 1 . 1 34 34 GLU CG C 13 36.525 0.054 . 1 . . 480 . A 92 GLU CG . 30832 1 417 . 1 . 1 34 34 GLU N N 15 119.263 0.025 . 1 . . 82 . A 92 GLU N . 30832 1 418 . 1 . 1 35 35 ALA H H 1 8.193 0.002 . 1 . . 78 . A 93 ALA H . 30832 1 419 . 1 . 1 35 35 ALA HA H 1 4.112 . . 1 . . 607 . A 93 ALA HA . 30832 1 420 . 1 . 1 35 35 ALA HB1 H 1 1.575 . . 1 . . 606 . A 93 ALA HB1 . 30832 1 421 . 1 . 1 35 35 ALA HB2 H 1 1.575 . . 1 . . 606 . A 93 ALA HB2 . 30832 1 422 . 1 . 1 35 35 ALA HB3 H 1 1.575 . . 1 . . 606 . A 93 ALA HB3 . 30832 1 423 . 1 . 1 35 35 ALA C C 13 179.471 0.014 . 1 . . 76 . A 93 ALA C . 30832 1 424 . 1 . 1 35 35 ALA CA C 13 54.806 0.013 . 1 . . 74 . A 93 ALA CA . 30832 1 425 . 1 . 1 35 35 ALA CB C 13 17.881 0.078 . 1 . . 73 . A 93 ALA CB . 30832 1 426 . 1 . 1 35 35 ALA N N 15 125.432 0.029 . 1 . . 77 . A 93 ALA N . 30832 1 427 . 1 . 1 36 36 TRP H H 1 8.629 0.002 . 1 . . 72 . A 94 TRP H . 30832 1 428 . 1 . 1 36 36 TRP HA H 1 4.515 0.006 . 1 . . 484 . A 94 TRP HA . 30832 1 429 . 1 . 1 36 36 TRP HB2 H 1 3.266 0.002 . 2 . . 485 . A 94 TRP HB2 . 30832 1 430 . 1 . 1 36 36 TRP HB3 H 1 3.989 0.007 . 2 . . 486 . A 94 TRP HB3 . 30832 1 431 . 1 . 1 36 36 TRP HD1 H 1 7.284 . . 1 . . 781 . A 94 TRP HD1 . 30832 1 432 . 1 . 1 36 36 TRP HE1 H 1 10.322 . . 1 . . 262 . A 94 TRP HE1 . 30832 1 433 . 1 . 1 36 36 TRP HE3 H 1 7.553 . . 1 . . 785 . A 94 TRP HE3 . 30832 1 434 . 1 . 1 36 36 TRP HZ2 H 1 7.744 . . 1 . . 635 . A 94 TRP HZ2 . 30832 1 435 . 1 . 1 36 36 TRP HZ3 H 1 6.689 . . 1 . . 783 . A 94 TRP HZ3 . 30832 1 436 . 1 . 1 36 36 TRP HH2 H 1 6.867 . . 1 . . 779 . A 94 TRP HH2 . 30832 1 437 . 1 . 1 36 36 TRP C C 13 177.553 0.004 . 1 . . 75 . A 94 TRP C . 30832 1 438 . 1 . 1 36 36 TRP CA C 13 61.045 0.083 . 1 . . 70 . A 94 TRP CA . 30832 1 439 . 1 . 1 36 36 TRP CB C 13 29.150 0.147 . 1 . . 69 . A 94 TRP CB . 30832 1 440 . 1 . 1 36 36 TRP CD1 C 13 127.429 . . 1 . . 780 . A 94 TRP CD1 . 30832 1 441 . 1 . 1 36 36 TRP CE3 C 13 120.695 . . 1 . . 784 . A 94 TRP CE3 . 30832 1 442 . 1 . 1 36 36 TRP CZ2 C 13 115.064 . . 1 . . 634 . A 94 TRP CZ2 . 30832 1 443 . 1 . 1 36 36 TRP CZ3 C 13 121.316 . . 1 . . 782 . A 94 TRP CZ3 . 30832 1 444 . 1 . 1 36 36 TRP CH2 C 13 122.420 . . 1 . . 778 . A 94 TRP CH2 . 30832 1 445 . 1 . 1 36 36 TRP N N 15 119.312 0.041 . 1 . . 71 . A 94 TRP N . 30832 1 446 . 1 . 1 36 36 TRP NE1 N 15 129.787 . . 1 . . 261 . A 94 TRP NE1 . 30832 1 447 . 1 . 1 37 37 ASN H H 1 8.738 0.002 . 1 . . 68 . A 95 ASN H . 30832 1 448 . 1 . 1 37 37 ASN HA H 1 4.341 0.0 . 1 . . 643 . A 95 ASN HA . 30832 1 449 . 1 . 1 37 37 ASN HB2 H 1 2.822 0.005 . 2 . . 641 . A 95 ASN HB2 . 30832 1 450 . 1 . 1 37 37 ASN HB3 H 1 3.032 0.005 . 2 . . 642 . A 95 ASN HB3 . 30832 1 451 . 1 . 1 37 37 ASN HD21 H 1 7.636 . . 1 . . 738 . A 95 ASN HD21 . 30832 1 452 . 1 . 1 37 37 ASN HD22 H 1 6.948 . . 1 . . 739 . A 95 ASN HD22 . 30832 1 453 . 1 . 1 37 37 ASN C C 13 179.145 0.003 . 1 . . 148 . A 95 ASN C . 30832 1 454 . 1 . 1 37 37 ASN CA C 13 56.042 0.049 . 1 . . 66 . A 95 ASN CA . 30832 1 455 . 1 . 1 37 37 ASN CB C 13 37.610 0.117 . 1 . . 65 . A 95 ASN CB . 30832 1 456 . 1 . 1 37 37 ASN N N 15 115.250 0.051 . 1 . . 67 . A 95 ASN N . 30832 1 457 . 1 . 1 37 37 ASN ND2 N 15 111.491 0.003 . 1 . . 737 . A 95 ASN ND2 . 30832 1 458 . 1 . 1 38 38 GLY H H 1 8.335 0.001 . 1 . . 63 . A 96 GLY H . 30832 1 459 . 1 . 1 38 38 GLY HA2 H 1 4.074 . . 2 . . 404 . A 96 GLY HA2 . 30832 1 460 . 1 . 1 38 38 GLY HA3 H 1 4.015 . . 2 . . 405 . A 96 GLY HA3 . 30832 1 461 . 1 . 1 38 38 GLY C C 13 176.402 0.006 . 1 . . 258 . A 96 GLY C . 30832 1 462 . 1 . 1 38 38 GLY CA C 13 46.998 0.083 . 1 . . 64 . A 96 GLY CA . 30832 1 463 . 1 . 1 38 38 GLY N N 15 108.793 0.03 . 1 . . 62 . A 96 GLY N . 30832 1 464 . 1 . 1 39 39 PHE H H 1 8.398 0.003 . 1 . . 260 . A 97 PHE H . 30832 1 465 . 1 . 1 39 39 PHE HA H 1 4.478 0.007 . 1 . . 825 . A 97 PHE HA . 30832 1 466 . 1 . 1 39 39 PHE HB2 H 1 3.275 0.006 . 2 . . 826 . A 97 PHE HB2 . 30832 1 467 . 1 . 1 39 39 PHE HB3 H 1 3.327 . . 2 . . 827 . A 97 PHE HB3 . 30832 1 468 . 1 . 1 39 39 PHE HD1 H 1 6.739 . . 1 . . 819 . A 97 PHE HD1 . 30832 1 469 . 1 . 1 39 39 PHE HD2 H 1 6.739 . . 1 . . 819 . A 97 PHE HD2 . 30832 1 470 . 1 . 1 39 39 PHE HE1 H 1 6.944 . . 1 . . 823 . A 97 PHE HE1 . 30832 1 471 . 1 . 1 39 39 PHE HE2 H 1 6.944 . . 1 . . 823 . A 97 PHE HE2 . 30832 1 472 . 1 . 1 39 39 PHE HZ H 1 7.097 . . 1 . . 821 . A 97 PHE HZ . 30832 1 473 . 1 . 1 39 39 PHE C C 13 175.434 0.032 . 1 . . 304 . A 97 PHE C . 30832 1 474 . 1 . 1 39 39 PHE CA C 13 60.247 0.056 . 1 . . 824 . A 97 PHE CA . 30832 1 475 . 1 . 1 39 39 PHE CB C 13 38.441 0.324 . 1 . . 828 . A 97 PHE CB . 30832 1 476 . 1 . 1 39 39 PHE CD1 C 13 132.797 . . 1 . . 818 . A 97 PHE CD1 . 30832 1 477 . 1 . 1 39 39 PHE CD2 C 13 132.797 . . 1 . . 818 . A 97 PHE CD2 . 30832 1 478 . 1 . 1 39 39 PHE CE1 C 13 130.108 . . 1 . . 822 . A 97 PHE CE1 . 30832 1 479 . 1 . 1 39 39 PHE CE2 C 13 130.108 . . 1 . . 822 . A 97 PHE CE2 . 30832 1 480 . 1 . 1 39 39 PHE CZ C 13 127.560 . . 1 . . 820 . A 97 PHE CZ . 30832 1 481 . 1 . 1 39 39 PHE N N 15 125.281 0.047 . 1 . . 259 . A 97 PHE N . 30832 1 482 . 1 . 1 40 40 VAL H H 1 8.147 0.002 . 1 . . 303 . A 98 VAL H . 30832 1 483 . 1 . 1 40 40 VAL HA H 1 2.660 0.004 . 1 . . 407 . A 98 VAL HA . 30832 1 484 . 1 . 1 40 40 VAL HB H 1 1.803 0.005 . 1 . . 406 . A 98 VAL HB . 30832 1 485 . 1 . 1 40 40 VAL HG11 H 1 0.648 0.004 . 1 . . 409 . A 98 VAL HG11 . 30832 1 486 . 1 . 1 40 40 VAL HG12 H 1 0.648 0.004 . 1 . . 409 . A 98 VAL HG12 . 30832 1 487 . 1 . 1 40 40 VAL HG13 H 1 0.648 0.004 . 1 . . 409 . A 98 VAL HG13 . 30832 1 488 . 1 . 1 40 40 VAL HG21 H 1 0.427 0.004 . 1 . . 410 . A 98 VAL HG21 . 30832 1 489 . 1 . 1 40 40 VAL HG22 H 1 0.427 0.004 . 1 . . 410 . A 98 VAL HG22 . 30832 1 490 . 1 . 1 40 40 VAL HG23 H 1 0.427 0.004 . 1 . . 410 . A 98 VAL HG23 . 30832 1 491 . 1 . 1 40 40 VAL C C 13 178.180 0.0 . 1 . . 215 . A 98 VAL C . 30832 1 492 . 1 . 1 40 40 VAL CA C 13 66.827 0.107 . 1 . . 305 . A 98 VAL CA . 30832 1 493 . 1 . 1 40 40 VAL CB C 13 31.499 0.263 . 1 . . 306 . A 98 VAL CB . 30832 1 494 . 1 . 1 40 40 VAL CG1 C 13 22.246 0.068 . 1 . . 408 . A 98 VAL CG1 . 30832 1 495 . 1 . 1 40 40 VAL CG2 C 13 22.617 0.071 . 1 . . 411 . A 98 VAL CG2 . 30832 1 496 . 1 . 1 40 40 VAL N N 15 118.866 0.034 . 1 . . 302 . A 98 VAL N . 30832 1 497 . 1 . 1 41 41 ALA H H 1 7.713 0.003 . 1 . . 16 . A 99 ALA H . 30832 1 498 . 1 . 1 41 41 ALA HA H 1 4.103 . . 1 . . 612 . A 99 ALA HA . 30832 1 499 . 1 . 1 41 41 ALA HB1 H 1 1.459 . . 1 . . 611 . A 99 ALA HB1 . 30832 1 500 . 1 . 1 41 41 ALA HB2 H 1 1.459 . . 1 . . 611 . A 99 ALA HB2 . 30832 1 501 . 1 . 1 41 41 ALA HB3 H 1 1.459 . . 1 . . 611 . A 99 ALA HB3 . 30832 1 502 . 1 . 1 41 41 ALA C C 13 181.057 0.016 . 1 . . 214 . A 99 ALA C . 30832 1 503 . 1 . 1 41 41 ALA CA C 13 54.311 0.089 . 1 . . 13 . A 99 ALA CA . 30832 1 504 . 1 . 1 41 41 ALA CB C 13 18.093 0.121 . 1 . . 14 . A 99 ALA CB . 30832 1 505 . 1 . 1 41 41 ALA N N 15 119.457 0.039 . 1 . . 15 . A 99 ALA N . 30832 1 506 . 1 . 1 42 42 ALA H H 1 7.787 0.002 . 1 . . 12 . A 100 ALA H . 30832 1 507 . 1 . 1 42 42 ALA HA H 1 4.103 . . 1 . . 613 . A 100 ALA HA . 30832 1 508 . 1 . 1 42 42 ALA HB1 H 1 1.459 . . 1 . . 610 . A 100 ALA HB1 . 30832 1 509 . 1 . 1 42 42 ALA HB2 H 1 1.459 . . 1 . . 610 . A 100 ALA HB2 . 30832 1 510 . 1 . 1 42 42 ALA HB3 H 1 1.459 . . 1 . . 610 . A 100 ALA HB3 . 30832 1 511 . 1 . 1 42 42 ALA C C 13 178.925 0.011 . 1 . . 213 . A 100 ALA C . 30832 1 512 . 1 . 1 42 42 ALA CA C 13 54.337 0.081 . 1 . . 9 . A 100 ALA CA . 30832 1 513 . 1 . 1 42 42 ALA CB C 13 18.123 0.099 . 1 . . 10 . A 100 ALA CB . 30832 1 514 . 1 . 1 42 42 ALA N N 15 121.610 0.015 . 1 . . 11 . A 100 ALA N . 30832 1 515 . 1 . 1 43 43 ALA H H 1 7.964 0.001 . 1 . . 8 . A 101 ALA H . 30832 1 516 . 1 . 1 43 43 ALA HA H 1 4.067 0.005 . 1 . . 564 . A 101 ALA HA . 30832 1 517 . 1 . 1 43 43 ALA HB1 H 1 0.969 0.004 . 1 . . 563 . A 101 ALA HB1 . 30832 1 518 . 1 . 1 43 43 ALA HB2 H 1 0.969 0.004 . 1 . . 563 . A 101 ALA HB2 . 30832 1 519 . 1 . 1 43 43 ALA HB3 H 1 0.969 0.004 . 1 . . 563 . A 101 ALA HB3 . 30832 1 520 . 1 . 1 43 43 ALA C C 13 174.333 0.003 . 1 . . 354 . A 101 ALA C . 30832 1 521 . 1 . 1 43 43 ALA CA C 13 51.900 0.112 . 1 . . 5 . A 101 ALA CA . 30832 1 522 . 1 . 1 43 43 ALA CB C 13 17.975 0.1 . 1 . . 4 . A 101 ALA CB . 30832 1 523 . 1 . 1 43 43 ALA N N 15 116.825 0.023 . 1 . . 7 . A 101 ALA N . 30832 1 524 . 1 . 1 44 44 GLU H H 1 7.523 0.002 . 1 . . 1 . A 102 GLU H . 30832 1 525 . 1 . 1 44 44 GLU HA H 1 3.718 0.006 . 1 . . 740 . A 102 GLU HA . 30832 1 526 . 1 . 1 44 44 GLU HB2 H 1 2.087 0.004 . 1 . . 741 . A 102 GLU HB2 . 30832 1 527 . 1 . 1 44 44 GLU HB3 H 1 2.087 0.004 . 1 . . 742 . A 102 GLU HB3 . 30832 1 528 . 1 . 1 44 44 GLU HG2 H 1 2.144 0.005 . 1 . . 743 . A 102 GLU HG2 . 30832 1 529 . 1 . 1 44 44 GLU HG3 H 1 2.144 0.005 . 1 . . 744 . A 102 GLU HG3 . 30832 1 530 . 1 . 1 44 44 GLU C C 13 176.029 0.005 . 1 . . 370 . A 102 GLU C . 30832 1 531 . 1 . 1 44 44 GLU CA C 13 56.535 0.073 . 1 . . 6 . A 102 GLU CA . 30832 1 532 . 1 . 1 44 44 GLU CB C 13 26.671 0.07 . 1 . . 2 . A 102 GLU CB . 30832 1 533 . 1 . 1 44 44 GLU CG C 13 36.694 0.078 . 1 . . 893 . A 102 GLU CG . 30832 1 534 . 1 . 1 44 44 GLU N N 15 113.316 0.026 . 1 . . 3 . A 102 GLU N . 30832 1 535 . 1 . 1 45 45 LEU H H 1 7.267 0.002 . 1 . . 18 . A 103 LEU H . 30832 1 536 . 1 . 1 45 45 LEU HA H 1 4.422 0.005 . 1 . . 904 . A 103 LEU HA . 30832 1 537 . 1 . 1 45 45 LEU HB2 H 1 1.267 0.005 . 2 . . 905 . A 103 LEU HB2 . 30832 1 538 . 1 . 1 45 45 LEU HB3 H 1 1.535 0.003 . 2 . . 906 . A 103 LEU HB3 . 30832 1 539 . 1 . 1 45 45 LEU HG H 1 1.467 0.005 . 1 . . 907 . A 103 LEU HG . 30832 1 540 . 1 . 1 45 45 LEU HD11 H 1 0.730 0.004 . 1 . . 911 . A 103 LEU HD11 . 30832 1 541 . 1 . 1 45 45 LEU HD12 H 1 0.730 0.004 . 1 . . 911 . A 103 LEU HD12 . 30832 1 542 . 1 . 1 45 45 LEU HD13 H 1 0.730 0.004 . 1 . . 911 . A 103 LEU HD13 . 30832 1 543 . 1 . 1 45 45 LEU HD21 H 1 0.732 0.005 . 1 . . 912 . A 103 LEU HD21 . 30832 1 544 . 1 . 1 45 45 LEU HD22 H 1 0.732 0.005 . 1 . . 912 . A 103 LEU HD22 . 30832 1 545 . 1 . 1 45 45 LEU HD23 H 1 0.732 0.005 . 1 . . 912 . A 103 LEU HD23 . 30832 1 546 . 1 . 1 45 45 LEU C C 13 174.912 . . 1 . . 369 . A 103 LEU C . 30832 1 547 . 1 . 1 45 45 LEU CA C 13 52.578 0.086 . 1 . . 19 . A 103 LEU CA . 30832 1 548 . 1 . 1 45 45 LEU CB C 13 42.739 0.033 . 1 . . 908 . A 103 LEU CB . 30832 1 549 . 1 . 1 45 45 LEU CG C 13 26.542 0.042 . 1 . . 909 . A 103 LEU CG . 30832 1 550 . 1 . 1 45 45 LEU CD1 C 13 26.109 0.047 . 1 . . 910 . A 103 LEU CD1 . 30832 1 551 . 1 . 1 45 45 LEU CD2 C 13 23.636 0.043 . 1 . . 913 . A 103 LEU CD2 . 30832 1 552 . 1 . 1 45 45 LEU N N 15 117.311 0.04 . 1 . . 17 . A 103 LEU N . 30832 1 553 . 1 . 1 46 46 PRO HA H 1 4.548 0.005 . 1 . . 748 . A 104 PRO HA . 30832 1 554 . 1 . 1 46 46 PRO HB2 H 1 2.460 0.004 . 2 . . 749 . A 104 PRO HB2 . 30832 1 555 . 1 . 1 46 46 PRO HB3 H 1 2.147 0.003 . 2 . . 750 . A 104 PRO HB3 . 30832 1 556 . 1 . 1 46 46 PRO HG2 H 1 2.059 0.005 . 1 . . 754 . A 104 PRO HG2 . 30832 1 557 . 1 . 1 46 46 PRO HG3 H 1 2.059 0.005 . 1 . . 755 . A 104 PRO HG3 . 30832 1 558 . 1 . 1 46 46 PRO HD2 H 1 3.601 0.005 . 2 . . 752 . A 104 PRO HD2 . 30832 1 559 . 1 . 1 46 46 PRO HD3 H 1 3.969 0.005 . 2 . . 753 . A 104 PRO HD3 . 30832 1 560 . 1 . 1 46 46 PRO C C 13 177.435 0.007 . 1 . . 292 . A 104 PRO C . 30832 1 561 . 1 . 1 46 46 PRO CA C 13 62.100 0.043 . 1 . . 166 . A 104 PRO CA . 30832 1 562 . 1 . 1 46 46 PRO CB C 13 32.395 0.044 . 1 . . 165 . A 104 PRO CB . 30832 1 563 . 1 . 1 46 46 PRO CG C 13 27.960 0.059 . 1 . . 756 . A 104 PRO CG . 30832 1 564 . 1 . 1 46 46 PRO CD C 13 50.679 0.051 . 1 . . 751 . A 104 PRO CD . 30832 1 565 . 1 . 1 47 47 ARG H H 1 8.612 0.003 . 1 . . 164 . A 105 ARG H . 30832 1 566 . 1 . 1 47 47 ARG HA H 1 3.968 0.005 . 1 . . 491 . A 105 ARG HA . 30832 1 567 . 1 . 1 47 47 ARG HB2 H 1 1.898 0.001 . 2 . . 492 . A 105 ARG HB2 . 30832 1 568 . 1 . 1 47 47 ARG HB3 H 1 1.981 0.002 . 2 . . 493 . A 105 ARG HB3 . 30832 1 569 . 1 . 1 47 47 ARG HG2 H 1 1.772 0.004 . 2 . . 494 . A 105 ARG HG2 . 30832 1 570 . 1 . 1 47 47 ARG HG3 H 1 1.772 0.004 . 2 . . 495 . A 105 ARG HG3 . 30832 1 571 . 1 . 1 47 47 ARG HD2 H 1 3.293 0.001 . 2 . . 496 . A 105 ARG HD2 . 30832 1 572 . 1 . 1 47 47 ARG HD3 H 1 3.311 0.0 . 2 . . 497 . A 105 ARG HD3 . 30832 1 573 . 1 . 1 47 47 ARG C C 13 177.651 0.012 . 1 . . 291 . A 105 ARG C . 30832 1 574 . 1 . 1 47 47 ARG CA C 13 59.808 0.106 . 1 . . 159 . A 105 ARG CA . 30832 1 575 . 1 . 1 47 47 ARG CB C 13 29.880 0.117 . 1 . . 162 . A 105 ARG CB . 30832 1 576 . 1 . 1 47 47 ARG CG C 13 26.644 0.061 . 1 . . 498 . A 105 ARG CG . 30832 1 577 . 1 . 1 47 47 ARG CD C 13 43.023 0.085 . 1 . . 490 . A 105 ARG CD . 30832 1 578 . 1 . 1 47 47 ARG N N 15 122.555 0.048 . 1 . . 163 . A 105 ARG N . 30832 1 579 . 1 . 1 48 48 ASN H H 1 8.853 0.001 . 1 . . 157 . A 106 ASN H . 30832 1 580 . 1 . 1 48 48 ASN HA H 1 4.572 0.017 . 1 . . 997 . A 106 ASN HA . 30832 1 581 . 1 . 1 48 48 ASN HB2 H 1 2.917 0.004 . 1 . . 995 . A 106 ASN HB2 . 30832 1 582 . 1 . 1 48 48 ASN HB3 H 1 2.917 0.004 . 1 . . 996 . A 106 ASN HB3 . 30832 1 583 . 1 . 1 48 48 ASN HD21 H 1 7.801 . . 1 . . 732 . A 106 ASN HD21 . 30832 1 584 . 1 . 1 48 48 ASN HD22 H 1 7.112 . . 1 . . 733 . A 106 ASN HD22 . 30832 1 585 . 1 . 1 48 48 ASN C C 13 177.846 0.008 . 1 . . 344 . A 106 ASN C . 30832 1 586 . 1 . 1 48 48 ASN CA C 13 56.702 0.081 . 1 . . 160 . A 106 ASN CA . 30832 1 587 . 1 . 1 48 48 ASN CB C 13 36.719 0.083 . 1 . . 161 . A 106 ASN CB . 30832 1 588 . 1 . 1 48 48 ASN N N 15 114.744 0.016 . 1 . . 158 . A 106 ASN N . 30832 1 589 . 1 . 1 48 48 ASN ND2 N 15 114.172 0.001 . 1 . . 731 . A 106 ASN ND2 . 30832 1 590 . 1 . 1 49 49 GLU H H 1 7.347 0.002 . 1 . . 168 . A 107 GLU H . 30832 1 591 . 1 . 1 49 49 GLU HA H 1 4.285 0.003 . 1 . . 867 . A 107 GLU HA . 30832 1 592 . 1 . 1 49 49 GLU HB2 H 1 2.123 0.001 . 2 . . 870 . A 107 GLU HB2 . 30832 1 593 . 1 . 1 49 49 GLU HB3 H 1 2.032 0.0 . 2 . . 871 . A 107 GLU HB3 . 30832 1 594 . 1 . 1 49 49 GLU HG2 H 1 2.446 0.002 . 2 . . 868 . A 107 GLU HG2 . 30832 1 595 . 1 . 1 49 49 GLU HG3 H 1 2.378 . . 2 . . 869 . A 107 GLU HG3 . 30832 1 596 . 1 . 1 49 49 GLU C C 13 178.301 0.003 . 1 . . 330 . A 107 GLU C . 30832 1 597 . 1 . 1 49 49 GLU CA C 13 59.338 0.065 . 1 . . 169 . A 107 GLU CA . 30832 1 598 . 1 . 1 49 49 GLU CB C 13 30.452 0.068 . 1 . . 170 . A 107 GLU CB . 30832 1 599 . 1 . 1 49 49 GLU CG C 13 36.472 . . 1 . . 866 . A 107 GLU CG . 30832 1 600 . 1 . 1 49 49 GLU N N 15 120.420 0.021 . 1 . . 167 . A 107 GLU N . 30832 1 601 . 1 . 1 50 50 ALA H H 1 8.667 0.007 . 1 . . 171 . A 108 ALA H . 30832 1 602 . 1 . 1 50 50 ALA HA H 1 4.141 0.007 . 1 . . 567 . A 108 ALA HA . 30832 1 603 . 1 . 1 50 50 ALA HB1 H 1 1.618 0.004 . 1 . . 568 . A 108 ALA HB1 . 30832 1 604 . 1 . 1 50 50 ALA HB2 H 1 1.618 0.004 . 1 . . 568 . A 108 ALA HB2 . 30832 1 605 . 1 . 1 50 50 ALA HB3 H 1 1.618 0.004 . 1 . . 568 . A 108 ALA HB3 . 30832 1 606 . 1 . 1 50 50 ALA C C 13 179.598 . . 1 . . 329 . A 108 ALA C . 30832 1 607 . 1 . 1 50 50 ALA CA C 13 55.831 0.096 . 1 . . 173 . A 108 ALA CA . 30832 1 608 . 1 . 1 50 50 ALA CB C 13 18.874 0.153 . 1 . . 174 . A 108 ALA CB . 30832 1 609 . 1 . 1 50 50 ALA N N 15 121.865 0.019 . 1 . . 172 . A 108 ALA N . 30832 1 610 . 1 . 1 51 51 ASP H H 1 8.601 0.001 . 1 . . 185 . A 109 ASP H . 30832 1 611 . 1 . 1 51 51 ASP HA H 1 4.558 0.005 . 1 . . 478 . A 109 ASP HA . 30832 1 612 . 1 . 1 51 51 ASP HB2 H 1 2.928 0.007 . 2 . . 476 . A 109 ASP HB2 . 30832 1 613 . 1 . 1 51 51 ASP HB3 H 1 2.736 0.007 . 2 . . 477 . A 109 ASP HB3 . 30832 1 614 . 1 . 1 51 51 ASP C C 13 179.519 . . 1 . . 337 . A 109 ASP C . 30832 1 615 . 1 . 1 51 51 ASP CA C 13 57.431 0.086 . 1 . . 285 . A 109 ASP CA . 30832 1 616 . 1 . 1 51 51 ASP CB C 13 40.249 0.105 . 1 . . 254 . A 109 ASP CB . 30832 1 617 . 1 . 1 51 51 ASP N N 15 118.189 0.013 . 1 . . 184 . A 109 ASP N . 30832 1 618 . 1 . 1 52 52 GLU H H 1 7.866 0.002 . 1 . . 252 . A 110 GLU H . 30832 1 619 . 1 . 1 52 52 GLU HA H 1 4.138 0.001 . 1 . . 835 . A 110 GLU HA . 30832 1 620 . 1 . 1 52 52 GLU HB2 H 1 2.289 0.003 . 2 . . 833 . A 110 GLU HB2 . 30832 1 621 . 1 . 1 52 52 GLU HB3 H 1 2.201 0.002 . 2 . . 834 . A 110 GLU HB3 . 30832 1 622 . 1 . 1 52 52 GLU HG2 H 1 2.540 0.001 . 2 . . 836 . A 110 GLU HG2 . 30832 1 623 . 1 . 1 52 52 GLU HG3 H 1 2.481 0.001 . 2 . . 837 . A 110 GLU HG3 . 30832 1 624 . 1 . 1 52 52 GLU C C 13 179.695 0.002 . 1 . . 316 . A 110 GLU C . 30832 1 625 . 1 . 1 52 52 GLU CA C 13 59.302 0.039 . 1 . . 251 . A 110 GLU CA . 30832 1 626 . 1 . 1 52 52 GLU CB C 13 29.392 0.144 . 1 . . 249 . A 110 GLU CB . 30832 1 627 . 1 . 1 52 52 GLU CG C 13 35.748 . . 1 . . 483 . A 110 GLU CG . 30832 1 628 . 1 . 1 52 52 GLU N N 15 120.371 0.03 . 1 . . 253 . A 110 GLU N . 30832 1 629 . 1 . 1 53 53 LEU H H 1 8.853 0.002 . 1 . . 247 . A 111 LEU H . 30832 1 630 . 1 . 1 53 53 LEU HA H 1 4.183 0.003 . 1 . . 934 . A 111 LEU HA . 30832 1 631 . 1 . 1 53 53 LEU HB2 H 1 2.418 0.004 . 2 . . 937 . A 111 LEU HB2 . 30832 1 632 . 1 . 1 53 53 LEU HB3 H 1 1.741 0.005 . 2 . . 938 . A 111 LEU HB3 . 30832 1 633 . 1 . 1 53 53 LEU HG H 1 1.875 0.002 . 1 . . 939 . A 111 LEU HG . 30832 1 634 . 1 . 1 53 53 LEU HD11 H 1 0.958 0.005 . 1 . . 940 . A 111 LEU HD11 . 30832 1 635 . 1 . 1 53 53 LEU HD12 H 1 0.958 0.005 . 1 . . 940 . A 111 LEU HD12 . 30832 1 636 . 1 . 1 53 53 LEU HD13 H 1 0.958 0.005 . 1 . . 940 . A 111 LEU HD13 . 30832 1 637 . 1 . 1 53 53 LEU HD21 H 1 1.220 0.003 . 1 . . 935 . A 111 LEU HD21 . 30832 1 638 . 1 . 1 53 53 LEU HD22 H 1 1.220 0.003 . 1 . . 935 . A 111 LEU HD22 . 30832 1 639 . 1 . 1 53 53 LEU HD23 H 1 1.220 0.003 . 1 . . 935 . A 111 LEU HD23 . 30832 1 640 . 1 . 1 53 53 LEU C C 13 177.741 0.008 . 1 . . 315 . A 111 LEU C . 30832 1 641 . 1 . 1 53 53 LEU CA C 13 58.018 0.018 . 1 . . 250 . A 111 LEU CA . 30832 1 642 . 1 . 1 53 53 LEU CB C 13 41.701 0.058 . 1 . . 936 . A 111 LEU CB . 30832 1 643 . 1 . 1 53 53 LEU CG C 13 27.327 0.024 . 1 . . 941 . A 111 LEU CG . 30832 1 644 . 1 . 1 53 53 LEU CD1 C 13 23.628 0.058 . 1 . . 943 . A 111 LEU CD1 . 30832 1 645 . 1 . 1 53 53 LEU CD2 C 13 26.409 0.057 . 1 . . 942 . A 111 LEU CD2 . 30832 1 646 . 1 . 1 53 53 LEU N N 15 121.979 0.021 . 1 . . 248 . A 111 LEU N . 30832 1 647 . 1 . 1 54 54 ARG H H 1 8.773 0.002 . 1 . . 314 . A 112 ARG H . 30832 1 648 . 1 . 1 54 54 ARG HA H 1 3.273 0.003 . 1 . . 502 . A 112 ARG HA . 30832 1 649 . 1 . 1 54 54 ARG HB2 H 1 1.845 . . 2 . . 509 . A 112 ARG HB2 . 30832 1 650 . 1 . 1 54 54 ARG HB3 H 1 1.819 . . 2 . . 510 . A 112 ARG HB3 . 30832 1 651 . 1 . 1 54 54 ARG HG2 H 1 1.287 0.005 . 2 . . 504 . A 112 ARG HG2 . 30832 1 652 . 1 . 1 54 54 ARG HG3 H 1 0.261 0.004 . 2 . . 505 . A 112 ARG HG3 . 30832 1 653 . 1 . 1 54 54 ARG HD2 H 1 1.887 0.002 . 2 . . 507 . A 112 ARG HD2 . 30832 1 654 . 1 . 1 54 54 ARG HD3 H 1 2.138 0.009 . 2 . . 508 . A 112 ARG HD3 . 30832 1 655 . 1 . 1 54 54 ARG C C 13 178.000 0.002 . 1 . . 312 . A 112 ARG C . 30832 1 656 . 1 . 1 54 54 ARG CA C 13 59.808 0.086 . 1 . . 317 . A 112 ARG CA . 30832 1 657 . 1 . 1 54 54 ARG CB C 13 29.342 0.225 . 1 . . 318 . A 112 ARG CB . 30832 1 658 . 1 . 1 54 54 ARG CG C 13 26.771 0.076 . 1 . . 503 . A 112 ARG CG . 30832 1 659 . 1 . 1 54 54 ARG CD C 13 42.234 0.059 . 1 . . 506 . A 112 ARG CD . 30832 1 660 . 1 . 1 54 54 ARG N N 15 120.090 0.023 . 1 . . 313 . A 112 ARG N . 30832 1 661 . 1 . 1 55 55 LYS H H 1 7.564 0.004 . 1 . . 311 . A 113 LYS H . 30832 1 662 . 1 . 1 55 55 LYS HA H 1 4.038 0.001 . 1 . . 1048 . A 113 LYS HA . 30832 1 663 . 1 . 1 55 55 LYS HB2 H 1 1.912 0.001 . 2 . . 1049 . A 113 LYS HB2 . 30832 1 664 . 1 . 1 55 55 LYS HB3 H 1 1.912 0.001 . 2 . . 1050 . A 113 LYS HB3 . 30832 1 665 . 1 . 1 55 55 LYS HG2 H 1 1.628 0.002 . 2 . . 1056 . A 113 LYS HG2 . 30832 1 666 . 1 . 1 55 55 LYS HG3 H 1 1.450 0.003 . 2 . . 1057 . A 113 LYS HG3 . 30832 1 667 . 1 . 1 55 55 LYS HD2 H 1 1.720 0.001 . 1 . . 1054 . A 113 LYS HD2 . 30832 1 668 . 1 . 1 55 55 LYS HD3 H 1 1.720 0.001 . 1 . . 1055 . A 113 LYS HD3 . 30832 1 669 . 1 . 1 55 55 LYS HE2 H 1 2.977 0.002 . 2 . . 1051 . A 113 LYS HE2 . 30832 1 670 . 1 . 1 55 55 LYS HE3 H 1 2.977 0.002 . 2 . . 1052 . A 113 LYS HE3 . 30832 1 671 . 1 . 1 55 55 LYS C C 13 179.413 0.007 . 1 . . 256 . A 113 LYS C . 30832 1 672 . 1 . 1 55 55 LYS CA C 13 59.379 0.172 . 1 . . 307 . A 113 LYS CA . 30832 1 673 . 1 . 1 55 55 LYS CB C 13 32.636 0.005 . 1 . . 1047 . A 113 LYS CB . 30832 1 674 . 1 . 1 55 55 LYS CG C 13 25.242 0.027 . 1 . . 1058 . A 113 LYS CG . 30832 1 675 . 1 . 1 55 55 LYS CD C 13 29.591 . . 1 . . 1053 . A 113 LYS CD . 30832 1 676 . 1 . 1 55 55 LYS CE C 13 42.131 . . 1 . . 1059 . A 113 LYS CE . 30832 1 677 . 1 . 1 55 55 LYS N N 15 116.608 0.046 . 1 . . 310 . A 113 LYS N . 30832 1 678 . 1 . 1 56 56 ALA H H 1 7.871 0.002 . 1 . . 232 . A 114 ALA H . 30832 1 679 . 1 . 1 56 56 ALA HA H 1 4.229 0.005 . 1 . . 605 . A 114 ALA HA . 30832 1 680 . 1 . 1 56 56 ALA HB1 H 1 1.540 0.005 . 1 . . 604 . A 114 ALA HB1 . 30832 1 681 . 1 . 1 56 56 ALA HB2 H 1 1.540 0.005 . 1 . . 604 . A 114 ALA HB2 . 30832 1 682 . 1 . 1 56 56 ALA HB3 H 1 1.540 0.005 . 1 . . 604 . A 114 ALA HB3 . 30832 1 683 . 1 . 1 56 56 ALA C C 13 181.405 0.023 . 1 . . 255 . A 114 ALA C . 30832 1 684 . 1 . 1 56 56 ALA CA C 13 54.832 0.029 . 1 . . 234 . A 114 ALA CA . 30832 1 685 . 1 . 1 56 56 ALA CB C 13 18.308 0.127 . 1 . . 233 . A 114 ALA CB . 30832 1 686 . 1 . 1 56 56 ALA N N 15 121.941 0.029 . 1 . . 231 . A 114 ALA N . 30832 1 687 . 1 . 1 57 57 LEU H H 1 8.768 0.003 . 1 . . 236 . A 115 LEU H . 30832 1 688 . 1 . 1 57 57 LEU HA H 1 4.034 0.005 . 1 . . 944 . A 115 LEU HA . 30832 1 689 . 1 . 1 57 57 LEU HB2 H 1 1.784 0.005 . 2 . . 946 . A 115 LEU HB2 . 30832 1 690 . 1 . 1 57 57 LEU HB3 H 1 1.200 0.007 . 2 . . 947 . A 115 LEU HB3 . 30832 1 691 . 1 . 1 57 57 LEU HG H 1 1.714 0.003 . 1 . . 948 . A 115 LEU HG . 30832 1 692 . 1 . 1 57 57 LEU HD11 H 1 0.322 0.003 . 1 . . 952 . A 115 LEU HD11 . 30832 1 693 . 1 . 1 57 57 LEU HD12 H 1 0.322 0.003 . 1 . . 952 . A 115 LEU HD12 . 30832 1 694 . 1 . 1 57 57 LEU HD13 H 1 0.322 0.003 . 1 . . 952 . A 115 LEU HD13 . 30832 1 695 . 1 . 1 57 57 LEU HD21 H 1 0.294 0.004 . 1 . . 950 . A 115 LEU HD21 . 30832 1 696 . 1 . 1 57 57 LEU HD22 H 1 0.294 0.004 . 1 . . 950 . A 115 LEU HD22 . 30832 1 697 . 1 . 1 57 57 LEU HD23 H 1 0.294 0.004 . 1 . . 950 . A 115 LEU HD23 . 30832 1 698 . 1 . 1 57 57 LEU C C 13 178.261 . . 1 . . 1140 . A 115 LEU C . 30832 1 699 . 1 . 1 57 57 LEU CA C 13 57.214 0.068 . 1 . . 237 . A 115 LEU CA . 30832 1 700 . 1 . 1 57 57 LEU CB C 13 41.419 0.055 . 1 . . 945 . A 115 LEU CB . 30832 1 701 . 1 . 1 57 57 LEU CG C 13 26.124 0.03 . 1 . . 953 . A 115 LEU CG . 30832 1 702 . 1 . 1 57 57 LEU CD1 C 13 25.047 0.034 . 1 . . 951 . A 115 LEU CD1 . 30832 1 703 . 1 . 1 57 57 LEU CD2 C 13 22.034 0.055 . 1 . . 949 . A 115 LEU CD2 . 30832 1 704 . 1 . 1 57 57 LEU N N 15 120.274 0.049 . 1 . . 235 . A 115 LEU N . 30832 1 705 . 1 . 1 58 58 ASP H H 1 7.656 . . 1 . . 1143 . A 116 ASP H . 30832 1 706 . 1 . 1 58 58 ASP C C 13 178.806 0.011 . 1 . . 221 . A 116 ASP C . 30832 1 707 . 1 . 1 58 58 ASP CA C 13 57.635 0.016 . 1 . . 1141 . A 116 ASP CA . 30832 1 708 . 1 . 1 58 58 ASP CB C 13 40.842 . . 1 . . 222 . A 116 ASP CB . 30832 1 709 . 1 . 1 58 58 ASP N N 15 121.727 . . 1 . . 1142 . A 116 ASP N . 30832 1 710 . 1 . 1 59 59 ASN H H 1 7.537 0.004 . 1 . . 220 . A 117 ASN H . 30832 1 711 . 1 . 1 59 59 ASN HA H 1 4.406 0.003 . 1 . . 847 . A 117 ASN HA . 30832 1 712 . 1 . 1 59 59 ASN HB2 H 1 2.897 . . 2 . . 848 . A 117 ASN HB2 . 30832 1 713 . 1 . 1 59 59 ASN HB3 H 1 2.872 . . 2 . . 849 . A 117 ASN HB3 . 30832 1 714 . 1 . 1 59 59 ASN HD21 H 1 6.892 . . 1 . . 1148 . A 117 ASN HD21 . 30832 1 715 . 1 . 1 59 59 ASN HD22 H 1 7.695 . . 1 . . 1149 . A 117 ASN HD22 . 30832 1 716 . 1 . 1 59 59 ASN C C 13 177.542 0.014 . 1 . . 216 . A 117 ASN C . 30832 1 717 . 1 . 1 59 59 ASN CA C 13 56.619 0.09 . 1 . . 217 . A 117 ASN CA . 30832 1 718 . 1 . 1 59 59 ASN CB C 13 38.480 0.094 . 1 . . 218 . A 117 ASN CB . 30832 1 719 . 1 . 1 59 59 ASN N N 15 116.559 0.017 . 1 . . 219 . A 117 ASN N . 30832 1 720 . 1 . 1 59 59 ASN ND2 N 15 113.330 0.06 . 1 . . 1147 . A 117 ASN ND2 . 30832 1 721 . 1 . 1 60 60 LEU H H 1 7.799 0.001 . 1 . . 211 . A 118 LEU H . 30832 1 722 . 1 . 1 60 60 LEU HA H 1 4.149 0.003 . 1 . . 1118 . A 118 LEU HA . 30832 1 723 . 1 . 1 60 60 LEU HB2 H 1 2.016 0.005 . 2 . . 1116 . A 118 LEU HB2 . 30832 1 724 . 1 . 1 60 60 LEU HB3 H 1 1.620 0.006 . 2 . . 1117 . A 118 LEU HB3 . 30832 1 725 . 1 . 1 60 60 LEU HG H 1 1.600 0.001 . 1 . . 1123 . A 118 LEU HG . 30832 1 726 . 1 . 1 60 60 LEU HD11 H 1 0.912 0.002 . 2 . . 1119 . A 118 LEU HD11 . 30832 1 727 . 1 . 1 60 60 LEU HD12 H 1 0.912 0.002 . 2 . . 1119 . A 118 LEU HD12 . 30832 1 728 . 1 . 1 60 60 LEU HD13 H 1 0.912 0.002 . 2 . . 1119 . A 118 LEU HD13 . 30832 1 729 . 1 . 1 60 60 LEU HD21 H 1 0.960 0.0 . 2 . . 1120 . A 118 LEU HD21 . 30832 1 730 . 1 . 1 60 60 LEU HD22 H 1 0.960 0.0 . 2 . . 1120 . A 118 LEU HD22 . 30832 1 731 . 1 . 1 60 60 LEU HD23 H 1 0.960 0.0 . 2 . . 1120 . A 118 LEU HD23 . 30832 1 732 . 1 . 1 60 60 LEU C C 13 178.603 0.014 . 1 . . 212 . A 118 LEU C . 30832 1 733 . 1 . 1 60 60 LEU CA C 13 57.904 0.069 . 1 . . 200 . A 118 LEU CA . 30832 1 734 . 1 . 1 60 60 LEU CB C 13 41.981 0.073 . 1 . . 1115 . A 118 LEU CB . 30832 1 735 . 1 . 1 60 60 LEU CG C 13 27.094 0.0 . 1 . . 1122 . A 118 LEU CG . 30832 1 736 . 1 . 1 60 60 LEU CD1 C 13 25.876 . . 2 . . 1168 . A 118 LEU CD1 . 30832 1 737 . 1 . 1 60 60 LEU CD2 C 13 23.250 . . 2 . . 1121 . A 118 LEU CD2 . 30832 1 738 . 1 . 1 60 60 LEU N N 15 121.551 0.033 . 1 . . 210 . A 118 LEU N . 30832 1 739 . 1 . 1 61 61 ALA H H 1 8.732 0.003 . 1 . . 197 . A 119 ALA H . 30832 1 740 . 1 . 1 61 61 ALA HA H 1 3.852 0.008 . 1 . . 565 . A 119 ALA HA . 30832 1 741 . 1 . 1 61 61 ALA HB1 H 1 1.297 0.005 . 1 . . 566 . A 119 ALA HB1 . 30832 1 742 . 1 . 1 61 61 ALA HB2 H 1 1.297 0.005 . 1 . . 566 . A 119 ALA HB2 . 30832 1 743 . 1 . 1 61 61 ALA HB3 H 1 1.297 0.005 . 1 . . 566 . A 119 ALA HB3 . 30832 1 744 . 1 . 1 61 61 ALA C C 13 179.256 . . 1 . . 1162 . A 119 ALA C . 30832 1 745 . 1 . 1 61 61 ALA CA C 13 55.256 0.042 . 1 . . 199 . A 119 ALA CA . 30832 1 746 . 1 . 1 61 61 ALA CB C 13 17.972 0.077 . 1 . . 198 . A 119 ALA CB . 30832 1 747 . 1 . 1 61 61 ALA N N 15 121.203 0.024 . 1 . . 196 . A 119 ALA N . 30832 1 748 . 1 . 1 62 62 ARG H H 1 7.760 0.001 . 1 . . 202 . A 120 ARG H . 30832 1 749 . 1 . 1 62 62 ARG HA H 1 3.905 0.002 . 1 . . 530 . A 120 ARG HA . 30832 1 750 . 1 . 1 62 62 ARG HB2 H 1 1.929 . . 1 . . 533 . A 120 ARG HB2 . 30832 1 751 . 1 . 1 62 62 ARG HB3 H 1 1.929 . . 1 . . 534 . A 120 ARG HB3 . 30832 1 752 . 1 . 1 62 62 ARG HG2 H 1 1.652 0.001 . 2 . . 536 . A 120 ARG HG2 . 30832 1 753 . 1 . 1 62 62 ARG HG3 H 1 1.820 0.004 . 2 . . 537 . A 120 ARG HG3 . 30832 1 754 . 1 . 1 62 62 ARG HD2 H 1 3.190 0.001 . 2 . . 531 . A 120 ARG HD2 . 30832 1 755 . 1 . 1 62 62 ARG HD3 H 1 3.237 . . 2 . . 532 . A 120 ARG HD3 . 30832 1 756 . 1 . 1 62 62 ARG C C 13 178.570 . . 1 . . 209 . A 120 ARG C . 30832 1 757 . 1 . 1 62 62 ARG CA C 13 59.403 0.112 . 1 . . 204 . A 120 ARG CA . 30832 1 758 . 1 . 1 62 62 ARG CB C 13 29.840 0.123 . 1 . . 203 . A 120 ARG CB . 30832 1 759 . 1 . 1 62 62 ARG CG C 13 28.118 0.052 . 1 . . 535 . A 120 ARG CG . 30832 1 760 . 1 . 1 62 62 ARG CD C 13 43.304 0.074 . 1 . . 529 . A 120 ARG CD . 30832 1 761 . 1 . 1 62 62 ARG N N 15 115.604 0.015 . 1 . . 201 . A 120 ARG N . 30832 1 762 . 1 . 1 63 63 GLN H H 1 7.683 0.001 . 1 . . 206 . A 121 GLN H . 30832 1 763 . 1 . 1 63 63 GLN HA H 1 4.143 0.003 . 1 . . 650 . A 121 GLN HA . 30832 1 764 . 1 . 1 63 63 GLN HB2 H 1 2.260 0.004 . 2 . . 654 . A 121 GLN HB2 . 30832 1 765 . 1 . 1 63 63 GLN HB3 H 1 2.179 0.002 . 2 . . 655 . A 121 GLN HB3 . 30832 1 766 . 1 . 1 63 63 GLN HG2 H 1 2.418 0.004 . 2 . . 652 . A 121 GLN HG2 . 30832 1 767 . 1 . 1 63 63 GLN HG3 H 1 2.547 0.004 . 2 . . 653 . A 121 GLN HG3 . 30832 1 768 . 1 . 1 63 63 GLN HE21 H 1 6.785 . . 1 . . 1157 . A 121 GLN HE21 . 30832 1 769 . 1 . 1 63 63 GLN HE22 H 1 7.272 . . 1 . . 1158 . A 121 GLN HE22 . 30832 1 770 . 1 . 1 63 63 GLN C C 13 178.399 0.006 . 1 . . 499 . A 121 GLN C . 30832 1 771 . 1 . 1 63 63 GLN CA C 13 58.016 0.063 . 1 . . 207 . A 121 GLN CA . 30832 1 772 . 1 . 1 63 63 GLN CB C 13 28.756 0.093 . 1 . . 208 . A 121 GLN CB . 30832 1 773 . 1 . 1 63 63 GLN CG C 13 33.969 0.036 . 1 . . 651 . A 121 GLN CG . 30832 1 774 . 1 . 1 63 63 GLN N N 15 116.693 0.023 . 1 . . 205 . A 121 GLN N . 30832 1 775 . 1 . 1 63 63 GLN NE2 N 15 111.192 0.001 . 1 . . 1156 . A 121 GLN NE2 . 30832 1 776 . 1 . 1 64 64 MET H H 1 8.144 0.006 . 1 . . 501 . A 122 MET H . 30832 1 777 . 1 . 1 64 64 MET HA H 1 4.256 0.002 . 1 . . 618 . A 122 MET HA . 30832 1 778 . 1 . 1 64 64 MET HB2 H 1 2.134 0.004 . 2 . . 619 . A 122 MET HB2 . 30832 1 779 . 1 . 1 64 64 MET HB3 H 1 2.061 0.003 . 2 . . 620 . A 122 MET HB3 . 30832 1 780 . 1 . 1 64 64 MET HG2 H 1 2.728 0.005 . 2 . . 616 . A 122 MET HG2 . 30832 1 781 . 1 . 1 64 64 MET HG3 H 1 2.587 0.006 . 2 . . 621 . A 122 MET HG3 . 30832 1 782 . 1 . 1 64 64 MET HE1 H 1 2.108 . . 1 . . 623 . A 122 MET HE1 . 30832 1 783 . 1 . 1 64 64 MET HE2 H 1 2.108 . . 1 . . 623 . A 122 MET HE2 . 30832 1 784 . 1 . 1 64 64 MET HE3 H 1 2.108 . . 1 . . 623 . A 122 MET HE3 . 30832 1 785 . 1 . 1 64 64 MET C C 13 176.589 . . 1 . . 602 . A 122 MET C . 30832 1 786 . 1 . 1 64 64 MET CA C 13 57.911 . . 1 . . 614 . A 122 MET CA . 30832 1 787 . 1 . 1 64 64 MET CB C 13 33.127 0.098 . 1 . . 617 . A 122 MET CB . 30832 1 788 . 1 . 1 64 64 MET CG C 13 32.380 0.046 . 1 . . 615 . A 122 MET CG . 30832 1 789 . 1 . 1 64 64 MET CE C 13 17.218 . . 1 . . 622 . A 122 MET CE . 30832 1 790 . 1 . 1 64 64 MET N N 15 118.205 0.022 . 1 . . 500 . A 122 MET N . 30832 1 791 . 1 . 1 65 65 ILE H H 1 8.111 0.016 . 1 . . 864 . A 123 ILE H . 30832 1 792 . 1 . 1 65 65 ILE HA H 1 3.838 0.005 . 1 . . 461 . A 123 ILE HA . 30832 1 793 . 1 . 1 65 65 ILE HB H 1 1.769 0.003 . 1 . . 465 . A 123 ILE HB . 30832 1 794 . 1 . 1 65 65 ILE HG12 H 1 1.396 0.003 . 2 . . 463 . A 123 ILE HG12 . 30832 1 795 . 1 . 1 65 65 ILE HG13 H 1 0.822 0.012 . 2 . . 464 . A 123 ILE HG13 . 30832 1 796 . 1 . 1 65 65 ILE HG21 H 1 0.693 0.02 . 1 . . 460 . A 123 ILE HG21 . 30832 1 797 . 1 . 1 65 65 ILE HG22 H 1 0.693 0.02 . 1 . . 460 . A 123 ILE HG22 . 30832 1 798 . 1 . 1 65 65 ILE HG23 H 1 0.693 0.02 . 1 . . 460 . A 123 ILE HG23 . 30832 1 799 . 1 . 1 65 65 ILE HD11 H 1 0.660 0.004 . 1 . . 458 . A 123 ILE HD11 . 30832 1 800 . 1 . 1 65 65 ILE HD12 H 1 0.660 0.004 . 1 . . 458 . A 123 ILE HD12 . 30832 1 801 . 1 . 1 65 65 ILE HD13 H 1 0.660 0.004 . 1 . . 458 . A 123 ILE HD13 . 30832 1 802 . 1 . 1 65 65 ILE C C 13 177.133 0.012 . 1 . . 865 . A 123 ILE C . 30832 1 803 . 1 . 1 65 65 ILE CA C 13 63.581 0.067 . 1 . . 862 . A 123 ILE CA . 30832 1 804 . 1 . 1 65 65 ILE CB C 13 38.308 0.056 . 1 . . 466 . A 123 ILE CB . 30832 1 805 . 1 . 1 65 65 ILE CG1 C 13 28.144 0.059 . 1 . . 462 . A 123 ILE CG1 . 30832 1 806 . 1 . 1 65 65 ILE CG2 C 13 17.332 0.052 . 1 . . 459 . A 123 ILE CG2 . 30832 1 807 . 1 . 1 65 65 ILE CD1 C 13 13.548 0.052 . 1 . . 457 . A 123 ILE CD1 . 30832 1 808 . 1 . 1 65 65 ILE N N 15 118.976 0.032 . 1 . . 863 . A 123 ILE N . 30832 1 809 . 1 . 1 66 66 MET H H 1 7.680 0.005 . 1 . . 637 . A 124 MET H . 30832 1 810 . 1 . 1 66 66 MET HA H 1 4.313 0.0 . 1 . . 627 . A 124 MET HA . 30832 1 811 . 1 . 1 66 66 MET HB2 H 1 2.122 0.002 . 2 . . 630 . A 124 MET HB2 . 30832 1 812 . 1 . 1 66 66 MET HB3 H 1 2.120 0.001 . 2 . . 632 . A 124 MET HB3 . 30832 1 813 . 1 . 1 66 66 MET HG2 H 1 2.667 0.004 . 2 . . 628 . A 124 MET HG2 . 30832 1 814 . 1 . 1 66 66 MET HG3 H 1 2.565 0.005 . 2 . . 629 . A 124 MET HG3 . 30832 1 815 . 1 . 1 66 66 MET HE1 H 1 2.067 . . 1 . . 625 . A 124 MET HE1 . 30832 1 816 . 1 . 1 66 66 MET HE2 H 1 2.067 . . 1 . . 625 . A 124 MET HE2 . 30832 1 817 . 1 . 1 66 66 MET HE3 H 1 2.067 . . 1 . . 625 . A 124 MET HE3 . 30832 1 818 . 1 . 1 66 66 MET C C 13 177.191 0.012 . 1 . . 1165 . A 124 MET C . 30832 1 819 . 1 . 1 66 66 MET CA C 13 56.835 0.094 . 1 . . 633 . A 124 MET CA . 30832 1 820 . 1 . 1 66 66 MET CB C 13 32.622 0.078 . 1 . . 631 . A 124 MET CB . 30832 1 821 . 1 . 1 66 66 MET CG C 13 32.198 0.055 . 1 . . 626 . A 124 MET CG . 30832 1 822 . 1 . 1 66 66 MET CE C 13 16.849 . . 1 . . 624 . A 124 MET CE . 30832 1 823 . 1 . 1 66 66 MET N N 15 118.684 0.091 . 1 . . 636 . A 124 MET N . 30832 1 824 . 1 . 1 67 67 LYS H H 1 7.645 0.004 . 1 . . 1072 . A 125 LYS H . 30832 1 825 . 1 . 1 67 67 LYS C C 13 176.305 0.006 . 1 . . 1068 . A 125 LYS C . 30832 1 826 . 1 . 1 67 67 LYS CA C 13 56.637 0.031 . 1 . . 1066 . A 125 LYS CA . 30832 1 827 . 1 . 1 67 67 LYS CB C 13 31.865 . . 1 . . 1073 . A 125 LYS CB . 30832 1 828 . 1 . 1 67 67 LYS N N 15 118.017 0.027 . 1 . . 1071 . A 125 LYS N . 30832 1 829 . 1 . 1 68 68 ASP H H 1 7.841 0.001 . 1 . . 1065 . A 126 ASP H . 30832 1 830 . 1 . 1 68 68 ASP HA H 1 4.733 0.006 . 1 . . 1130 . A 126 ASP HA . 30832 1 831 . 1 . 1 68 68 ASP HB2 H 1 2.948 0.004 . 2 . . 1131 . A 126 ASP HB2 . 30832 1 832 . 1 . 1 68 68 ASP HB3 H 1 2.684 0.002 . 2 . . 1132 . A 126 ASP HB3 . 30832 1 833 . 1 . 1 68 68 ASP C C 13 176.218 . . 1 . . 1067 . A 126 ASP C . 30832 1 834 . 1 . 1 68 68 ASP CA C 13 53.830 0.077 . 1 . . 1063 . A 126 ASP CA . 30832 1 835 . 1 . 1 68 68 ASP CB C 13 41.698 0.034 . 1 . . 1179 . A 126 ASP CB . 30832 1 836 . 1 . 1 68 68 ASP N N 15 119.893 0.014 . 1 . . 1064 . A 126 ASP N . 30832 1 837 . 1 . 1 69 69 LYS H H 1 8.374 0.009 . 1 . . 873 . A 127 LYS H . 30832 1 838 . 1 . 1 69 69 LYS C C 13 177.063 0.001 . 1 . . 1069 . A 127 LYS C . 30832 1 839 . 1 . 1 69 69 LYS CA C 13 57.313 0.053 . 1 . . 874 . A 127 LYS CA . 30832 1 840 . 1 . 1 69 69 LYS CB C 13 32.307 . . 1 . . 386 . A 127 LYS CB . 30832 1 841 . 1 . 1 69 69 LYS N N 15 122.383 0.087 . 1 . . 872 . A 127 LYS N . 30832 1 842 . 1 . 1 70 70 ASN H H 1 8.479 0.002 . 1 . . 383 . A 128 ASN H . 30832 1 843 . 1 . 1 70 70 ASN HA H 1 4.772 0.005 . 1 . . 850 . A 128 ASN HA . 30832 1 844 . 1 . 1 70 70 ASN HB2 H 1 2.729 0.006 . 2 . . 851 . A 128 ASN HB2 . 30832 1 845 . 1 . 1 70 70 ASN HB3 H 1 2.863 0.006 . 2 . . 852 . A 128 ASN HB3 . 30832 1 846 . 1 . 1 70 70 ASN HD21 H 1 6.907 . . 1 . . 1151 . A 128 ASN HD21 . 30832 1 847 . 1 . 1 70 70 ASN HD22 H 1 7.689 . . 1 . . 1152 . A 128 ASN HD22 . 30832 1 848 . 1 . 1 70 70 ASN C C 13 175.415 0.017 . 1 . . 1070 . A 128 ASN C . 30832 1 849 . 1 . 1 70 70 ASN CA C 13 53.413 0.078 . 1 . . 384 . A 128 ASN CA . 30832 1 850 . 1 . 1 70 70 ASN CB C 13 38.818 0.121 . 1 . . 385 . A 128 ASN CB . 30832 1 851 . 1 . 1 70 70 ASN N N 15 117.609 0.017 . 1 . . 382 . A 128 ASN N . 30832 1 852 . 1 . 1 70 70 ASN ND2 N 15 113.304 0.009 . 1 . . 1150 . A 128 ASN ND2 . 30832 1 853 . 1 . 1 71 71 TRP H H 1 7.818 0.011 . 1 . . 388 . A 129 TRP H . 30832 1 854 . 1 . 1 71 71 TRP HA H 1 4.452 . . 1 . . 804 . A 129 TRP HA . 30832 1 855 . 1 . 1 71 71 TRP HB2 H 1 3.284 0.003 . 2 . . 1062 . A 129 TRP HB2 . 30832 1 856 . 1 . 1 71 71 TRP HB3 H 1 3.285 . . 2 . . 1074 . A 129 TRP HB3 . 30832 1 857 . 1 . 1 71 71 TRP HD1 H 1 7.247 0.001 . 1 . . 789 . A 129 TRP HD1 . 30832 1 858 . 1 . 1 71 71 TRP HE1 H 1 10.092 0.005 . 1 . . 787 . A 129 TRP HE1 . 30832 1 859 . 1 . 1 71 71 TRP HZ2 H 1 7.380 0.001 . 1 . . 795 . A 129 TRP HZ2 . 30832 1 860 . 1 . 1 71 71 TRP HH2 H 1 7.046 0.001 . 1 . . 799 . A 129 TRP HH2 . 30832 1 861 . 1 . 1 71 71 TRP C C 13 176.366 . . 1 . . 1145 . A 129 TRP C . 30832 1 862 . 1 . 1 71 71 TRP CA C 13 58.287 0.045 . 1 . . 803 . A 129 TRP CA . 30832 1 863 . 1 . 1 71 71 TRP CB C 13 29.482 . . 1 . . 802 . A 129 TRP CB . 30832 1 864 . 1 . 1 71 71 TRP CD1 C 13 127.270 0.009 . 1 . . 788 . A 129 TRP CD1 . 30832 1 865 . 1 . 1 71 71 TRP CZ2 C 13 114.406 0.016 . 1 . . 794 . A 129 TRP CZ2 . 30832 1 866 . 1 . 1 71 71 TRP CH2 C 13 124.204 0.033 . 1 . . 798 . A 129 TRP CH2 . 30832 1 867 . 1 . 1 71 71 TRP N N 15 120.722 0.128 . 1 . . 387 . A 129 TRP N . 30832 1 868 . 1 . 1 71 71 TRP NE1 N 15 129.061 . . 1 . . 786 . A 129 TRP NE1 . 30832 1 869 . 1 . 1 72 72 HIS HA H 1 4.325 0.004 . 1 . . 570 . A 130 HIS HA . 30832 1 870 . 1 . 1 72 72 HIS HB2 H 1 2.997 0.009 . 2 . . 569 . A 130 HIS HB2 . 30832 1 871 . 1 . 1 72 72 HIS HB3 H 1 2.819 0.008 . 2 . . 571 . A 130 HIS HB3 . 30832 1 872 . 1 . 1 72 72 HIS HD1 H 1 10.453 . . 1 . . 1166 . A 130 HIS HD1 . 30832 1 873 . 1 . 1 72 72 HIS HD2 H 1 7.157 . . 1 . . 959 . A 130 HIS HD2 . 30832 1 874 . 1 . 1 72 72 HIS HE1 H 1 8.377 . . 1 . . 961 . A 130 HIS HE1 . 30832 1 875 . 1 . 1 72 72 HIS C C 13 174.387 . . 1 . . 1144 . A 130 HIS C . 30832 1 876 . 1 . 1 72 72 HIS CA C 13 56.089 0.034 . 1 . . 572 . A 130 HIS CA . 30832 1 877 . 1 . 1 72 72 HIS CB C 13 29.216 0.059 . 1 . . 349 . A 130 HIS CB . 30832 1 878 . 1 . 1 72 72 HIS CD2 C 13 119.989 . . 1 . . 958 . A 130 HIS CD2 . 30832 1 879 . 1 . 1 72 72 HIS CE1 C 13 136.837 . . 1 . . 960 . A 130 HIS CE1 . 30832 1 880 . 1 . 1 73 73 ASP H H 1 8.027 0.003 . 1 . . 346 . A 131 ASP H . 30832 1 881 . 1 . 1 73 73 ASP HA H 1 4.440 0.005 . 1 . . 473 . A 131 ASP HA . 30832 1 882 . 1 . 1 73 73 ASP HB2 H 1 2.686 0.001 . 2 . . 474 . A 131 ASP HB2 . 30832 1 883 . 1 . 1 73 73 ASP HB3 H 1 2.626 0.003 . 2 . . 475 . A 131 ASP HB3 . 30832 1 884 . 1 . 1 73 73 ASP C C 13 176.535 0.023 . 1 . . 359 . A 131 ASP C . 30832 1 885 . 1 . 1 73 73 ASP CA C 13 54.665 0.042 . 1 . . 348 . A 131 ASP CA . 30832 1 886 . 1 . 1 73 73 ASP CB C 13 41.065 0.088 . 1 . . 347 . A 131 ASP CB . 30832 1 887 . 1 . 1 73 73 ASP N N 15 120.516 0.05 . 1 . . 345 . A 131 ASP N . 30832 1 888 . 1 . 1 74 74 LYS H H 1 8.112 0.003 . 1 . . 351 . A 132 LYS H . 30832 1 889 . 1 . 1 74 74 LYS C C 13 177.301 0.038 . 1 . . 358 . A 132 LYS C . 30832 1 890 . 1 . 1 74 74 LYS CA C 13 56.316 . . 1 . . 352 . A 132 LYS CA . 30832 1 891 . 1 . 1 74 74 LYS CB C 13 31.473 . . 1 . . 353 . A 132 LYS CB . 30832 1 892 . 1 . 1 74 74 LYS N N 15 121.021 0.028 . 1 . . 350 . A 132 LYS N . 30832 1 893 . 1 . 1 75 75 GLY H H 1 8.395 0.003 . 1 . . 356 . A 133 GLY H . 30832 1 894 . 1 . 1 75 75 GLY HA2 H 1 3.978 . . 1 . . 436 . A 133 GLY HA2 . 30832 1 895 . 1 . 1 75 75 GLY HA3 H 1 3.978 . . 1 . . 437 . A 133 GLY HA3 . 30832 1 896 . 1 . 1 75 75 GLY C C 13 174.978 . . 1 . . 1164 . A 133 GLY C . 30832 1 897 . 1 . 1 75 75 GLY CA C 13 45.600 0.017 . 1 . . 357 . A 133 GLY CA . 30832 1 898 . 1 . 1 75 75 GLY N N 15 108.662 0.042 . 1 . . 355 . A 133 GLY N . 30832 1 899 . 1 . 1 76 76 GLN H H 1 8.335 0.002 . 1 . . 361 . A 134 GLN H . 30832 1 900 . 1 . 1 76 76 GLN HA H 1 4.235 0.004 . 1 . . 1080 . A 134 GLN HA . 30832 1 901 . 1 . 1 76 76 GLN HB2 H 1 2.123 0.004 . 2 . . 1079 . A 134 GLN HB2 . 30832 1 902 . 1 . 1 76 76 GLN HB3 H 1 2.073 . . 2 . . 1081 . A 134 GLN HB3 . 30832 1 903 . 1 . 1 76 76 GLN HG2 H 1 2.404 0.004 . 1 . . 1077 . A 134 GLN HG2 . 30832 1 904 . 1 . 1 76 76 GLN HG3 H 1 2.404 0.004 . 1 . . 1078 . A 134 GLN HG3 . 30832 1 905 . 1 . 1 76 76 GLN HE21 H 1 7.496 . . 1 . . 1083 . A 134 GLN HE21 . 30832 1 906 . 1 . 1 76 76 GLN HE22 H 1 6.880 . . 1 . . 1084 . A 134 GLN HE22 . 30832 1 907 . 1 . 1 76 76 GLN C C 13 177.032 0.015 . 1 . . 368 . A 134 GLN C . 30832 1 908 . 1 . 1 76 76 GLN CA C 13 57.307 0.045 . 1 . . 362 . A 134 GLN CA . 30832 1 909 . 1 . 1 76 76 GLN CB C 13 28.767 0.057 . 1 . . 366 . A 134 GLN CB . 30832 1 910 . 1 . 1 76 76 GLN CG C 13 33.873 0.106 . 1 . . 544 . A 134 GLN CG . 30832 1 911 . 1 . 1 76 76 GLN N N 15 119.797 0.037 . 1 . . 360 . A 134 GLN N . 30832 1 912 . 1 . 1 76 76 GLN NE2 N 15 112.095 0.003 . 1 . . 1082 . A 134 GLN NE2 . 30832 1 913 . 1 . 1 77 77 GLN H H 1 8.452 0.002 . 1 . . 364 . A 135 GLN H . 30832 1 914 . 1 . 1 77 77 GLN HA H 1 4.299 0.004 . 1 . . 1087 . A 135 GLN HA . 30832 1 915 . 1 . 1 77 77 GLN HB2 H 1 2.058 0.0 . 2 . . 1089 . A 135 GLN HB2 . 30832 1 916 . 1 . 1 77 77 GLN HB3 H 1 2.058 . . 2 . . 1090 . A 135 GLN HB3 . 30832 1 917 . 1 . 1 77 77 GLN HG2 H 1 2.326 . . 2 . . 1086 . A 135 GLN HG2 . 30832 1 918 . 1 . 1 77 77 GLN HG3 H 1 2.284 0.002 . 2 . . 1088 . A 135 GLN HG3 . 30832 1 919 . 1 . 1 77 77 GLN HE21 H 1 7.425 . . 1 . . 1092 . A 135 GLN HE21 . 30832 1 920 . 1 . 1 77 77 GLN HE22 H 1 6.826 . . 1 . . 1093 . A 135 GLN HE22 . 30832 1 921 . 1 . 1 77 77 GLN C C 13 177.289 . . 1 . . 1146 . A 135 GLN C . 30832 1 922 . 1 . 1 77 77 GLN CA C 13 57.136 0.057 . 1 . . 365 . A 135 GLN CA . 30832 1 923 . 1 . 1 77 77 GLN CB C 13 28.593 0.129 . 1 . . 367 . A 135 GLN CB . 30832 1 924 . 1 . 1 77 77 GLN CG C 13 33.927 . . 1 . . 1085 . A 135 GLN CG . 30832 1 925 . 1 . 1 77 77 GLN N N 15 119.725 0.03 . 1 . . 363 . A 135 GLN N . 30832 1 926 . 1 . 1 77 77 GLN NE2 N 15 111.789 0.005 . 1 . . 1091 . A 135 GLN NE2 . 30832 1 927 . 1 . 1 78 78 TYR HD1 H 1 7.031 . . 1 . . 775 . A 136 TYR HD1 . 30832 1 928 . 1 . 1 78 78 TYR HD2 H 1 7.031 . . 1 . . 775 . A 136 TYR HD2 . 30832 1 929 . 1 . 1 78 78 TYR HE1 H 1 6.759 . . 1 . . 777 . A 136 TYR HE1 . 30832 1 930 . 1 . 1 78 78 TYR HE2 H 1 6.759 . . 1 . . 777 . A 136 TYR HE2 . 30832 1 931 . 1 . 1 78 78 TYR CD1 C 13 132.989 . . 1 . . 774 . A 136 TYR CD1 . 30832 1 932 . 1 . 1 78 78 TYR CD2 C 13 132.989 . . 1 . . 774 . A 136 TYR CD2 . 30832 1 933 . 1 . 1 78 78 TYR CE1 C 13 118.281 . . 1 . . 776 . A 136 TYR CE1 . 30832 1 934 . 1 . 1 78 78 TYR CE2 C 13 118.281 . . 1 . . 776 . A 136 TYR CE2 . 30832 1 935 . 1 . 1 81 81 TRP H H 1 8.143 . . 1 . . 1076 . A 139 TRP H . 30832 1 936 . 1 . 1 81 81 TRP HA H 1 4.352 0.005 . 1 . . 807 . A 139 TRP HA . 30832 1 937 . 1 . 1 81 81 TRP HB2 H 1 3.398 0.004 . 2 . . 806 . A 139 TRP HB2 . 30832 1 938 . 1 . 1 81 81 TRP HB3 H 1 3.474 0.006 . 2 . . 808 . A 139 TRP HB3 . 30832 1 939 . 1 . 1 81 81 TRP HD1 H 1 7.238 0.001 . 1 . . 793 . A 139 TRP HD1 . 30832 1 940 . 1 . 1 81 81 TRP HE1 H 1 10.218 0.001 . 1 . . 791 . A 139 TRP HE1 . 30832 1 941 . 1 . 1 81 81 TRP HZ2 H 1 7.406 0.006 . 1 . . 797 . A 139 TRP HZ2 . 30832 1 942 . 1 . 1 81 81 TRP HH2 H 1 6.958 0.002 . 1 . . 801 . A 139 TRP HH2 . 30832 1 943 . 1 . 1 81 81 TRP CA C 13 61.300 0.033 . 1 . . 809 . A 139 TRP CA . 30832 1 944 . 1 . 1 81 81 TRP CB C 13 28.970 0.043 . 1 . . 805 . A 139 TRP CB . 30832 1 945 . 1 . 1 81 81 TRP CD1 C 13 127.592 0.134 . 1 . . 792 . A 139 TRP CD1 . 30832 1 946 . 1 . 1 81 81 TRP CZ2 C 13 114.357 0.079 . 1 . . 796 . A 139 TRP CZ2 . 30832 1 947 . 1 . 1 81 81 TRP CH2 C 13 124.101 0.024 . 1 . . 800 . A 139 TRP CH2 . 30832 1 948 . 1 . 1 81 81 TRP N N 15 122.195 . . 1 . . 1075 . A 139 TRP N . 30832 1 949 . 1 . 1 81 81 TRP NE1 N 15 129.457 . . 1 . . 790 . A 139 TRP NE1 . 30832 1 950 . 1 . 1 82 82 PHE HA H 1 3.914 0.005 . 1 . . 1043 . A 140 PHE HA . 30832 1 951 . 1 . 1 82 82 PHE HB2 H 1 3.097 0.004 . 1 . . 1044 . A 140 PHE HB2 . 30832 1 952 . 1 . 1 82 82 PHE HB3 H 1 3.097 0.004 . 1 . . 1045 . A 140 PHE HB3 . 30832 1 953 . 1 . 1 82 82 PHE HD1 H 1 7.094 . . 1 . . 830 . A 140 PHE HD1 . 30832 1 954 . 1 . 1 82 82 PHE HD2 H 1 7.094 . . 1 . . 830 . A 140 PHE HD2 . 30832 1 955 . 1 . 1 82 82 PHE C C 13 176.546 . . 1 . . 1136 . A 140 PHE C . 30832 1 956 . 1 . 1 82 82 PHE CA C 13 60.964 0.124 . 1 . . 1032 . A 140 PHE CA . 30832 1 957 . 1 . 1 82 82 PHE CB C 13 39.580 . . 1 . . 1046 . A 140 PHE CB . 30832 1 958 . 1 . 1 82 82 PHE CD1 C 13 131.870 . . 1 . . 829 . A 140 PHE CD1 . 30832 1 959 . 1 . 1 82 82 PHE CD2 C 13 131.870 . . 1 . . 829 . A 140 PHE CD2 . 30832 1 960 . 1 . 1 83 83 LEU H H 1 7.886 0.004 . 1 . . 1031 . A 141 LEU H . 30832 1 961 . 1 . 1 83 83 LEU HA H 1 4.140 0.005 . 1 . . 1035 . A 141 LEU HA . 30832 1 962 . 1 . 1 83 83 LEU HB2 H 1 1.861 0.0 . 2 . . 1034 . A 141 LEU HB2 . 30832 1 963 . 1 . 1 83 83 LEU HB3 H 1 1.598 0.005 . 2 . . 1036 . A 141 LEU HB3 . 30832 1 964 . 1 . 1 83 83 LEU HG H 1 1.881 0.001 . 1 . . 1041 . A 141 LEU HG . 30832 1 965 . 1 . 1 83 83 LEU HD11 H 1 1.008 0.005 . 1 . . 1037 . A 141 LEU HD11 . 30832 1 966 . 1 . 1 83 83 LEU HD12 H 1 1.008 0.005 . 1 . . 1037 . A 141 LEU HD12 . 30832 1 967 . 1 . 1 83 83 LEU HD13 H 1 1.008 0.005 . 1 . . 1037 . A 141 LEU HD13 . 30832 1 968 . 1 . 1 83 83 LEU HD21 H 1 0.970 0.001 . 1 . . 1038 . A 141 LEU HD21 . 30832 1 969 . 1 . 1 83 83 LEU HD22 H 1 0.970 0.001 . 1 . . 1038 . A 141 LEU HD22 . 30832 1 970 . 1 . 1 83 83 LEU HD23 H 1 0.970 0.001 . 1 . . 1038 . A 141 LEU HD23 . 30832 1 971 . 1 . 1 83 83 LEU C C 13 178.810 . . 1 . . 1137 . A 141 LEU C . 30832 1 972 . 1 . 1 83 83 LEU CA C 13 56.710 0.063 . 1 . . 1030 . A 141 LEU CA . 30832 1 973 . 1 . 1 83 83 LEU CB C 13 42.839 0.066 . 1 . . 1033 . A 141 LEU CB . 30832 1 974 . 1 . 1 83 83 LEU CG C 13 27.122 0.024 . 1 . . 1040 . A 141 LEU CG . 30832 1 975 . 1 . 1 83 83 LEU CD1 C 13 25.162 0.049 . 1 . . 1039 . A 141 LEU CD1 . 30832 1 976 . 1 . 1 83 83 LEU CD2 C 13 23.355 . . 1 . . 1042 . A 141 LEU CD2 . 30832 1 977 . 1 . 1 83 83 LEU N N 15 116.097 0.053 . 1 . . 1029 . A 141 LEU N . 30832 1 978 . 1 . 1 84 84 LYS C C 13 177.499 . . 1 . . 1135 . A 142 LYS C . 30832 1 979 . 1 . 1 85 85 GLU H H 1 8.064 0.004 . 1 . . 678 . A 143 GLU H . 30832 1 980 . 1 . 1 85 85 GLU HA H 1 4.437 0.005 . 1 . . 1103 . A 143 GLU HA . 30832 1 981 . 1 . 1 85 85 GLU HB2 H 1 1.852 0.005 . 2 . . 1107 . A 143 GLU HB2 . 30832 1 982 . 1 . 1 85 85 GLU HB3 H 1 1.670 0.005 . 2 . . 1108 . A 143 GLU HB3 . 30832 1 983 . 1 . 1 85 85 GLU HG2 H 1 2.234 0.003 . 2 . . 1104 . A 143 GLU HG2 . 30832 1 984 . 1 . 1 85 85 GLU HG3 H 1 2.235 0.003 . 2 . . 1105 . A 143 GLU HG3 . 30832 1 985 . 1 . 1 85 85 GLU C C 13 177.113 . . 1 . . 1134 . A 143 GLU C . 30832 1 986 . 1 . 1 85 85 GLU CA C 13 56.871 0.127 . 1 . . 679 . A 143 GLU CA . 30832 1 987 . 1 . 1 85 85 GLU CB C 13 30.705 0.117 . 1 . . 680 . A 143 GLU CB . 30832 1 988 . 1 . 1 85 85 GLU CG C 13 35.877 . . 1 . . 1106 . A 143 GLU CG . 30832 1 989 . 1 . 1 85 85 GLU N N 15 118.705 0.028 . 1 . . 677 . A 143 GLU N . 30832 1 990 . 1 . 1 86 86 PHE H H 1 7.894 0.006 . 1 . . 682 . A 144 PHE H . 30832 1 991 . 1 . 1 86 86 PHE HD1 H 1 7.000 0.007 . 1 . . 1112 . A 144 PHE HD1 . 30832 1 992 . 1 . 1 86 86 PHE HD2 H 1 7.000 0.007 . 1 . . 1112 . A 144 PHE HD2 . 30832 1 993 . 1 . 1 86 86 PHE HE1 H 1 7.262 0.008 . 1 . . 1113 . A 144 PHE HE1 . 30832 1 994 . 1 . 1 86 86 PHE HE2 H 1 7.262 0.008 . 1 . . 1113 . A 144 PHE HE2 . 30832 1 995 . 1 . 1 86 86 PHE CD1 C 13 132.545 0.01 . 1 . . 1111 . A 144 PHE CD1 . 30832 1 996 . 1 . 1 86 86 PHE CD2 C 13 132.545 0.01 . 1 . . 1111 . A 144 PHE CD2 . 30832 1 997 . 1 . 1 86 86 PHE CE1 C 13 130.641 . . 1 . . 1114 . A 144 PHE CE1 . 30832 1 998 . 1 . 1 86 86 PHE CE2 C 13 130.641 . . 1 . . 1114 . A 144 PHE CE2 . 30832 1 999 . 1 . 1 86 86 PHE N N 15 119.992 0.035 . 1 . . 681 . A 144 PHE N . 30832 1 1000 . 1 . 1 87 87 PRO HB2 H 1 1.718 0.003 . 2 . . 965 . A 145 PRO HB2 . 30832 1 1001 . 1 . 1 87 87 PRO HB3 H 1 2.239 0.005 . 2 . . 967 . A 145 PRO HB3 . 30832 1 1002 . 1 . 1 87 87 PRO HG2 H 1 1.841 0.006 . 2 . . 963 . A 145 PRO HG2 . 30832 1 1003 . 1 . 1 87 87 PRO HG3 H 1 1.997 0.004 . 2 . . 964 . A 145 PRO HG3 . 30832 1 1004 . 1 . 1 87 87 PRO HD2 H 1 3.678 0.009 . 2 . . 854 . A 145 PRO HD2 . 30832 1 1005 . 1 . 1 87 87 PRO HD3 H 1 3.115 0.007 . 2 . . 855 . A 145 PRO HD3 . 30832 1 1006 . 1 . 1 87 87 PRO CB C 13 30.829 0.046 . 1 . . 966 . A 145 PRO CB . 30832 1 1007 . 1 . 1 87 87 PRO CG C 13 28.641 0.048 . 1 . . 962 . A 145 PRO CG . 30832 1 1008 . 1 . 1 87 87 PRO CD C 13 49.880 0.048 . 1 . . 853 . A 145 PRO CD . 30832 1 1009 . 1 . 1 91 91 SER HA H 1 4.304 . . 1 . . 585 . A 149 SER HA . 30832 1 1010 . 1 . 1 91 91 SER HB2 H 1 3.958 0.006 . 1 . . 583 . A 149 SER HB2 . 30832 1 1011 . 1 . 1 91 91 SER HB3 H 1 3.958 0.006 . 1 . . 886 . A 149 SER HB3 . 30832 1 1012 . 1 . 1 91 91 SER C C 13 176.280 . . 1 . . 1163 . A 149 SER C . 30832 1 1013 . 1 . 1 91 91 SER CA C 13 61.547 . . 1 . . 584 . A 149 SER CA . 30832 1 1014 . 1 . 1 91 91 SER CB C 13 62.909 0.055 . 1 . . 582 . A 149 SER CB . 30832 1 1015 . 1 . 1 92 92 GLU H H 1 7.744 0.006 . 1 . . 587 . A 150 GLU H . 30832 1 1016 . 1 . 1 92 92 GLU HA H 1 4.234 0.003 . 1 . . 838 . A 150 GLU HA . 30832 1 1017 . 1 . 1 92 92 GLU HB2 H 1 2.194 0.005 . 2 . . 840 . A 150 GLU HB2 . 30832 1 1018 . 1 . 1 92 92 GLU HB3 H 1 2.200 . . 2 . . 841 . A 150 GLU HB3 . 30832 1 1019 . 1 . 1 92 92 GLU HG2 H 1 2.427 0.0 . 2 . . 839 . A 150 GLU HG2 . 30832 1 1020 . 1 . 1 92 92 GLU HG3 H 1 2.265 0.001 . 2 . . 843 . A 150 GLU HG3 . 30832 1 1021 . 1 . 1 92 92 GLU CA C 13 59.265 0.036 . 1 . . 589 . A 150 GLU CA . 30832 1 1022 . 1 . 1 92 92 GLU CB C 13 29.511 0.167 . 1 . . 588 . A 150 GLU CB . 30832 1 1023 . 1 . 1 92 92 GLU CG C 13 36.155 0.009 . 1 . . 842 . A 150 GLU CG . 30832 1 1024 . 1 . 1 92 92 GLU N N 15 122.500 0.033 . 1 . . 586 . A 150 GLU N . 30832 1 1025 . 1 . 1 93 93 LEU HA H 1 4.130 0.004 . 1 . . 1173 . A 151 LEU HA . 30832 1 1026 . 1 . 1 93 93 LEU HB2 H 1 1.927 0.004 . 2 . . 1177 . A 151 LEU HB2 . 30832 1 1027 . 1 . 1 93 93 LEU HB3 H 1 1.553 . . 2 . . 1178 . A 151 LEU HB3 . 30832 1 1028 . 1 . 1 93 93 LEU HG H 1 1.870 0.003 . 1 . . 1175 . A 151 LEU HG . 30832 1 1029 . 1 . 1 93 93 LEU HD11 H 1 0.692 0.005 . 1 . . 1172 . A 151 LEU HD11 . 30832 1 1030 . 1 . 1 93 93 LEU HD12 H 1 0.692 0.005 . 1 . . 1172 . A 151 LEU HD12 . 30832 1 1031 . 1 . 1 93 93 LEU HD13 H 1 0.692 0.005 . 1 . . 1172 . A 151 LEU HD13 . 30832 1 1032 . 1 . 1 93 93 LEU HD21 H 1 0.715 0.003 . 1 . . 1170 . A 151 LEU HD21 . 30832 1 1033 . 1 . 1 93 93 LEU HD22 H 1 0.715 0.003 . 1 . . 1170 . A 151 LEU HD22 . 30832 1 1034 . 1 . 1 93 93 LEU HD23 H 1 0.715 0.003 . 1 . . 1170 . A 151 LEU HD23 . 30832 1 1035 . 1 . 1 93 93 LEU C C 13 179.116 0.007 . 1 . . 861 . A 151 LEU C . 30832 1 1036 . 1 . 1 93 93 LEU CA C 13 58.025 0.053 . 1 . . 599 . A 151 LEU CA . 30832 1 1037 . 1 . 1 93 93 LEU CB C 13 42.426 0.016 . 1 . . 1176 . A 151 LEU CB . 30832 1 1038 . 1 . 1 93 93 LEU CG C 13 26.842 . . 1 . . 1174 . A 151 LEU CG . 30832 1 1039 . 1 . 1 93 93 LEU CD1 C 13 25.438 0.048 . 1 . . 1171 . A 151 LEU CD1 . 30832 1 1040 . 1 . 1 93 93 LEU CD2 C 13 24.032 0.031 . 1 . . 1169 . A 151 LEU CD2 . 30832 1 1041 . 1 . 1 94 94 GLU H H 1 8.708 0.007 . 1 . . 598 . A 152 GLU H . 30832 1 1042 . 1 . 1 94 94 GLU HA H 1 3.829 0.005 . 1 . . 656 . A 152 GLU HA . 30832 1 1043 . 1 . 1 94 94 GLU HB2 H 1 2.070 0.001 . 2 . . 659 . A 152 GLU HB2 . 30832 1 1044 . 1 . 1 94 94 GLU HB3 H 1 2.169 . . 2 . . 661 . A 152 GLU HB3 . 30832 1 1045 . 1 . 1 94 94 GLU HG2 H 1 2.430 0.003 . 2 . . 657 . A 152 GLU HG2 . 30832 1 1046 . 1 . 1 94 94 GLU HG3 H 1 2.305 0.005 . 2 . . 658 . A 152 GLU HG3 . 30832 1 1047 . 1 . 1 94 94 GLU C C 13 177.977 0.003 . 1 . . 1133 . A 152 GLU C . 30832 1 1048 . 1 . 1 94 94 GLU CA C 13 60.213 0.075 . 1 . . 596 . A 152 GLU CA . 30832 1 1049 . 1 . 1 94 94 GLU CB C 13 28.634 0.094 . 1 . . 660 . A 152 GLU CB . 30832 1 1050 . 1 . 1 94 94 GLU CG C 13 35.579 0.019 . 1 . . 968 . A 152 GLU CG . 30832 1 1051 . 1 . 1 94 94 GLU N N 15 118.769 0.058 . 1 . . 597 . A 152 GLU N . 30832 1 1052 . 1 . 1 95 95 ASP H H 1 7.928 0.005 . 1 . . 595 . A 153 ASP H . 30832 1 1053 . 1 . 1 95 95 ASP HA H 1 4.372 0.005 . 1 . . 672 . A 153 ASP HA . 30832 1 1054 . 1 . 1 95 95 ASP HB2 H 1 2.845 0.005 . 2 . . 671 . A 153 ASP HB2 . 30832 1 1055 . 1 . 1 95 95 ASP HB3 H 1 2.691 0.002 . 2 . . 673 . A 153 ASP HB3 . 30832 1 1056 . 1 . 1 95 95 ASP C C 13 178.812 0.002 . 1 . . 1138 . A 153 ASP C . 30832 1 1057 . 1 . 1 95 95 ASP CA C 13 57.344 0.062 . 1 . . 593 . A 153 ASP CA . 30832 1 1058 . 1 . 1 95 95 ASP CB C 13 41.345 0.162 . 1 . . 592 . A 153 ASP CB . 30832 1 1059 . 1 . 1 95 95 ASP N N 15 117.901 0.051 . 1 . . 594 . A 153 ASP N . 30832 1 1060 . 1 . 1 96 96 ASN H H 1 7.971 0.003 . 1 . . 591 . A 154 ASN H . 30832 1 1061 . 1 . 1 96 96 ASN HA H 1 4.317 0.012 . 1 . . 726 . A 154 ASN HA . 30832 1 1062 . 1 . 1 96 96 ASN HB2 H 1 1.651 0.004 . 2 . . 725 . A 154 ASN HB2 . 30832 1 1063 . 1 . 1 96 96 ASN HB3 H 1 2.476 0.002 . 2 . . 727 . A 154 ASN HB3 . 30832 1 1064 . 1 . 1 96 96 ASN HD21 H 1 7.645 0.0 . 1 . . 729 . A 154 ASN HD21 . 30832 1 1065 . 1 . 1 96 96 ASN HD22 H 1 7.233 0.0 . 1 . . 730 . A 154 ASN HD22 . 30832 1 1066 . 1 . 1 96 96 ASN C C 13 177.318 . . 1 . . 1139 . A 154 ASN C . 30832 1 1067 . 1 . 1 96 96 ASN CA C 13 57.167 . . 1 . . 969 . A 154 ASN CA . 30832 1 1068 . 1 . 1 96 96 ASN CB C 13 39.275 0.066 . 1 . . 724 . A 154 ASN CB . 30832 1 1069 . 1 . 1 96 96 ASN N N 15 116.296 0.039 . 1 . . 590 . A 154 ASN N . 30832 1 1070 . 1 . 1 96 96 ASN ND2 N 15 115.102 0.007 . 1 . . 728 . A 154 ASN ND2 . 30832 1 1071 . 1 . 1 97 97 ILE H H 1 8.700 0.003 . 1 . . 723 . A 155 ILE H . 30832 1 1072 . 1 . 1 97 97 ILE HA H 1 3.962 0.005 . 1 . . 721 . A 155 ILE HA . 30832 1 1073 . 1 . 1 97 97 ILE HB H 1 2.380 0.003 . 1 . . 716 . A 155 ILE HB . 30832 1 1074 . 1 . 1 97 97 ILE HG12 H 1 1.655 0.003 . 2 . . 718 . A 155 ILE HG12 . 30832 1 1075 . 1 . 1 97 97 ILE HG13 H 1 1.877 0.012 . 2 . . 719 . A 155 ILE HG13 . 30832 1 1076 . 1 . 1 97 97 ILE HG21 H 1 1.124 0.004 . 1 . . 562 . A 155 ILE HG21 . 30832 1 1077 . 1 . 1 97 97 ILE HG22 H 1 1.124 0.004 . 1 . . 562 . A 155 ILE HG22 . 30832 1 1078 . 1 . 1 97 97 ILE HG23 H 1 1.124 0.004 . 1 . . 562 . A 155 ILE HG23 . 30832 1 1079 . 1 . 1 97 97 ILE HD11 H 1 0.923 0.007 . 1 . . 560 . A 155 ILE HD11 . 30832 1 1080 . 1 . 1 97 97 ILE HD12 H 1 0.923 0.007 . 1 . . 560 . A 155 ILE HD12 . 30832 1 1081 . 1 . 1 97 97 ILE HD13 H 1 0.923 0.007 . 1 . . 560 . A 155 ILE HD13 . 30832 1 1082 . 1 . 1 97 97 ILE C C 13 177.814 . . 1 . . 343 . A 155 ILE C . 30832 1 1083 . 1 . 1 97 97 ILE CA C 13 62.868 0.107 . 1 . . 720 . A 155 ILE CA . 30832 1 1084 . 1 . 1 97 97 ILE CB C 13 35.146 0.026 . 1 . . 715 . A 155 ILE CB . 30832 1 1085 . 1 . 1 97 97 ILE CG1 C 13 28.901 0.021 . 1 . . 717 . A 155 ILE CG1 . 30832 1 1086 . 1 . 1 97 97 ILE CG2 C 13 18.451 0.047 . 1 . . 561 . A 155 ILE CG2 . 30832 1 1087 . 1 . 1 97 97 ILE CD1 C 13 10.316 0.043 . 1 . . 559 . A 155 ILE CD1 . 30832 1 1088 . 1 . 1 97 97 ILE N N 15 120.100 0.013 . 1 . . 722 . A 155 ILE N . 30832 1 1089 . 1 . 1 98 98 ARG H H 1 8.239 0.005 . 1 . . 339 . A 156 ARG H . 30832 1 1090 . 1 . 1 98 98 ARG HA H 1 4.021 0.004 . 1 . . 664 . A 156 ARG HA . 30832 1 1091 . 1 . 1 98 98 ARG HB2 H 1 2.041 0.006 . 2 . . 662 . A 156 ARG HB2 . 30832 1 1092 . 1 . 1 98 98 ARG HB3 H 1 1.911 . . 2 . . 663 . A 156 ARG HB3 . 30832 1 1093 . 1 . 1 98 98 ARG HG2 H 1 1.642 0.003 . 2 . . 666 . A 156 ARG HG2 . 30832 1 1094 . 1 . 1 98 98 ARG HG3 H 1 1.897 0.004 . 2 . . 667 . A 156 ARG HG3 . 30832 1 1095 . 1 . 1 98 98 ARG HD2 H 1 3.263 0.001 . 2 . . 668 . A 156 ARG HD2 . 30832 1 1096 . 1 . 1 98 98 ARG HD3 H 1 3.263 0.001 . 2 . . 669 . A 156 ARG HD3 . 30832 1 1097 . 1 . 1 98 98 ARG C C 13 179.759 0.027 . 1 . . 342 . A 156 ARG C . 30832 1 1098 . 1 . 1 98 98 ARG CA C 13 60.514 0.051 . 1 . . 340 . A 156 ARG CA . 30832 1 1099 . 1 . 1 98 98 ARG CB C 13 30.147 0.177 . 1 . . 341 . A 156 ARG CB . 30832 1 1100 . 1 . 1 98 98 ARG CG C 13 28.529 0.094 . 1 . . 665 . A 156 ARG CG . 30832 1 1101 . 1 . 1 98 98 ARG CD C 13 43.566 . . 1 . . 670 . A 156 ARG CD . 30832 1 1102 . 1 . 1 98 98 ARG N N 15 120.175 0.039 . 1 . . 338 . A 156 ARG N . 30832 1 1103 . 1 . 1 99 99 ARG H H 1 7.707 0.007 . 1 . . 334 . A 157 ARG H . 30832 1 1104 . 1 . 1 99 99 ARG HA H 1 4.125 0.004 . 1 . . 707 . A 157 ARG HA . 30832 1 1105 . 1 . 1 99 99 ARG HB2 H 1 2.003 0.002 . 2 . . 711 . A 157 ARG HB2 . 30832 1 1106 . 1 . 1 99 99 ARG HB3 H 1 1.952 0.001 . 2 . . 712 . A 157 ARG HB3 . 30832 1 1107 . 1 . 1 99 99 ARG HG2 H 1 1.770 0.003 . 2 . . 706 . A 157 ARG HG2 . 30832 1 1108 . 1 . 1 99 99 ARG HG3 H 1 1.583 0.004 . 2 . . 708 . A 157 ARG HG3 . 30832 1 1109 . 1 . 1 99 99 ARG HD2 H 1 3.264 0.001 . 1 . . 709 . A 157 ARG HD2 . 30832 1 1110 . 1 . 1 99 99 ARG HD3 H 1 3.264 0.001 . 1 . . 710 . A 157 ARG HD3 . 30832 1 1111 . 1 . 1 99 99 ARG C C 13 178.794 0.027 . 1 . . 336 . A 157 ARG C . 30832 1 1112 . 1 . 1 99 99 ARG CA C 13 59.427 0.153 . 1 . . 713 . A 157 ARG CA . 30832 1 1113 . 1 . 1 99 99 ARG CB C 13 30.054 . . 1 . . 335 . A 157 ARG CB . 30832 1 1114 . 1 . 1 99 99 ARG CG C 13 27.647 0.044 . 1 . . 705 . A 157 ARG CG . 30832 1 1115 . 1 . 1 99 99 ARG CD C 13 43.345 . . 1 . . 714 . A 157 ARG CD . 30832 1 1116 . 1 . 1 99 99 ARG N N 15 119.451 0.067 . 1 . . 333 . A 157 ARG N . 30832 1 1117 . 1 . 1 100 100 LEU H H 1 8.132 0.007 . 1 . . 332 . A 158 LEU H . 30832 1 1118 . 1 . 1 100 100 LEU HA H 1 4.215 0.005 . 1 . . 980 . A 158 LEU HA . 30832 1 1119 . 1 . 1 100 100 LEU HB2 H 1 2.168 0.002 . 2 . . 984 . A 158 LEU HB2 . 30832 1 1120 . 1 . 1 100 100 LEU HB3 H 1 1.674 0.004 . 2 . . 985 . A 158 LEU HB3 . 30832 1 1121 . 1 . 1 100 100 LEU HG H 1 2.009 0.004 . 1 . . 986 . A 158 LEU HG . 30832 1 1122 . 1 . 1 100 100 LEU HD11 H 1 0.806 0.003 . 1 . . 981 . A 158 LEU HD11 . 30832 1 1123 . 1 . 1 100 100 LEU HD12 H 1 0.806 0.003 . 1 . . 981 . A 158 LEU HD12 . 30832 1 1124 . 1 . 1 100 100 LEU HD13 H 1 0.806 0.003 . 1 . . 981 . A 158 LEU HD13 . 30832 1 1125 . 1 . 1 100 100 LEU HD21 H 1 0.948 0.001 . 1 . . 982 . A 158 LEU HD21 . 30832 1 1126 . 1 . 1 100 100 LEU HD22 H 1 0.948 0.001 . 1 . . 982 . A 158 LEU HD22 . 30832 1 1127 . 1 . 1 100 100 LEU HD23 H 1 0.948 0.001 . 1 . . 982 . A 158 LEU HD23 . 30832 1 1128 . 1 . 1 100 100 LEU C C 13 179.604 0.002 . 1 . . 328 . A 158 LEU C . 30832 1 1129 . 1 . 1 100 100 LEU CA C 13 57.633 0.157 . 1 . . 325 . A 158 LEU CA . 30832 1 1130 . 1 . 1 100 100 LEU CB C 13 42.365 0.037 . 1 . . 983 . A 158 LEU CB . 30832 1 1131 . 1 . 1 100 100 LEU CG C 13 26.694 0.068 . 1 . . 987 . A 158 LEU CG . 30832 1 1132 . 1 . 1 100 100 LEU CD1 C 13 25.232 0.018 . 1 . . 988 . A 158 LEU CD1 . 30832 1 1133 . 1 . 1 100 100 LEU CD2 C 13 23.177 0.055 . 1 . . 989 . A 158 LEU CD2 . 30832 1 1134 . 1 . 1 100 100 LEU N N 15 119.067 0.084 . 1 . . 331 . A 158 LEU N . 30832 1 1135 . 1 . 1 101 101 ARG H H 1 8.387 0.002 . 1 . . 324 . A 159 ARG H . 30832 1 1136 . 1 . 1 101 101 ARG HA H 1 3.867 0.005 . 1 . . 684 . A 159 ARG HA . 30832 1 1137 . 1 . 1 101 101 ARG HB2 H 1 1.848 0.006 . 2 . . 683 . A 159 ARG HB2 . 30832 1 1138 . 1 . 1 101 101 ARG HB3 H 1 1.542 0.006 . 2 . . 685 . A 159 ARG HB3 . 30832 1 1139 . 1 . 1 101 101 ARG HG2 H 1 1.337 0.005 . 2 . . 689 . A 159 ARG HG2 . 30832 1 1140 . 1 . 1 101 101 ARG HG3 H 1 1.340 0.004 . 2 . . 690 . A 159 ARG HG3 . 30832 1 1141 . 1 . 1 101 101 ARG HD2 H 1 2.763 0.006 . 2 . . 686 . A 159 ARG HD2 . 30832 1 1142 . 1 . 1 101 101 ARG HD3 H 1 2.670 0.008 . 2 . . 687 . A 159 ARG HD3 . 30832 1 1143 . 1 . 1 101 101 ARG C C 13 177.919 0.002 . 1 . . 327 . A 159 ARG C . 30832 1 1144 . 1 . 1 101 101 ARG CA C 13 59.026 0.033 . 1 . . 326 . A 159 ARG CA . 30832 1 1145 . 1 . 1 101 101 ARG CB C 13 29.565 0.183 . 1 . . 195 . A 159 ARG CB . 30832 1 1146 . 1 . 1 101 101 ARG CG C 13 27.591 0.076 . 1 . . 691 . A 159 ARG CG . 30832 1 1147 . 1 . 1 101 101 ARG CD C 13 42.967 0.073 . 1 . . 688 . A 159 ARG CD . 30832 1 1148 . 1 . 1 101 101 ARG N N 15 119.918 0.096 . 1 . . 323 . A 159 ARG N . 30832 1 1149 . 1 . 1 102 102 ALA H H 1 7.724 0.002 . 1 . . 121 . A 160 ALA H . 30832 1 1150 . 1 . 1 102 102 ALA HA H 1 4.240 0.005 . 1 . . 608 . A 160 ALA HA . 30832 1 1151 . 1 . 1 102 102 ALA HB1 H 1 1.525 0.005 . 1 . . 609 . A 160 ALA HB1 . 30832 1 1152 . 1 . 1 102 102 ALA HB2 H 1 1.525 0.005 . 1 . . 609 . A 160 ALA HB2 . 30832 1 1153 . 1 . 1 102 102 ALA HB3 H 1 1.525 0.005 . 1 . . 609 . A 160 ALA HB3 . 30832 1 1154 . 1 . 1 102 102 ALA C C 13 180.203 0.023 . 1 . . 119 . A 160 ALA C . 30832 1 1155 . 1 . 1 102 102 ALA CA C 13 54.284 0.083 . 1 . . 115 . A 160 ALA CA . 30832 1 1156 . 1 . 1 102 102 ALA CB C 13 17.974 0.079 . 1 . . 116 . A 160 ALA CB . 30832 1 1157 . 1 . 1 102 102 ALA N N 15 121.196 0.014 . 1 . . 120 . A 160 ALA N . 30832 1 1158 . 1 . 1 103 103 LEU H H 1 7.903 0.001 . 1 . . 114 . A 161 LEU H . 30832 1 1159 . 1 . 1 103 103 LEU HA H 1 4.246 0.003 . 1 . . 897 . A 161 LEU HA . 30832 1 1160 . 1 . 1 103 103 LEU HB2 H 1 1.913 0.003 . 2 . . 895 . A 161 LEU HB2 . 30832 1 1161 . 1 . 1 103 103 LEU HB3 H 1 1.707 0.005 . 2 . . 896 . A 161 LEU HB3 . 30832 1 1162 . 1 . 1 103 103 LEU HG H 1 1.847 0.004 . 1 . . 901 . A 161 LEU HG . 30832 1 1163 . 1 . 1 103 103 LEU HD11 H 1 0.955 0.003 . 1 . . 899 . A 161 LEU HD11 . 30832 1 1164 . 1 . 1 103 103 LEU HD12 H 1 0.955 0.003 . 1 . . 899 . A 161 LEU HD12 . 30832 1 1165 . 1 . 1 103 103 LEU HD13 H 1 0.955 0.003 . 1 . . 899 . A 161 LEU HD13 . 30832 1 1166 . 1 . 1 103 103 LEU HD21 H 1 0.924 0.004 . 1 . . 898 . A 161 LEU HD21 . 30832 1 1167 . 1 . 1 103 103 LEU HD22 H 1 0.924 0.004 . 1 . . 898 . A 161 LEU HD22 . 30832 1 1168 . 1 . 1 103 103 LEU HD23 H 1 0.924 0.004 . 1 . . 898 . A 161 LEU HD23 . 30832 1 1169 . 1 . 1 103 103 LEU C C 13 178.920 0.017 . 1 . . 118 . A 161 LEU C . 30832 1 1170 . 1 . 1 103 103 LEU CA C 13 56.864 0.116 . 1 . . 112 . A 161 LEU CA . 30832 1 1171 . 1 . 1 103 103 LEU CB C 13 42.270 0.06 . 1 . . 894 . A 161 LEU CB . 30832 1 1172 . 1 . 1 103 103 LEU CG C 13 26.871 0.058 . 1 . . 900 . A 161 LEU CG . 30832 1 1173 . 1 . 1 103 103 LEU CD1 C 13 25.226 0.021 . 1 . . 902 . A 161 LEU CD1 . 30832 1 1174 . 1 . 1 103 103 LEU CD2 C 13 23.566 0.054 . 1 . . 903 . A 161 LEU CD2 . 30832 1 1175 . 1 . 1 103 103 LEU N N 15 119.014 0.016 . 1 . . 113 . A 161 LEU N . 30832 1 1176 . 1 . 1 104 104 ALA H H 1 7.949 0.002 . 1 . . 109 . A 162 ALA H . 30832 1 1177 . 1 . 1 104 104 ALA HA H 1 4.260 0.01 . 1 . . 556 . A 162 ALA HA . 30832 1 1178 . 1 . 1 104 104 ALA HB1 H 1 1.584 0.006 . 1 . . 555 . A 162 ALA HB1 . 30832 1 1179 . 1 . 1 104 104 ALA HB2 H 1 1.584 0.006 . 1 . . 555 . A 162 ALA HB2 . 30832 1 1180 . 1 . 1 104 104 ALA HB3 H 1 1.584 0.006 . 1 . . 555 . A 162 ALA HB3 . 30832 1 1181 . 1 . 1 104 104 ALA C C 13 178.573 0.005 . 1 . . 117 . A 162 ALA C . 30832 1 1182 . 1 . 1 104 104 ALA CA C 13 53.955 0.116 . 1 . . 111 . A 162 ALA CA . 30832 1 1183 . 1 . 1 104 104 ALA CB C 13 18.663 0.15 . 1 . . 110 . A 162 ALA CB . 30832 1 1184 . 1 . 1 104 104 ALA N N 15 122.068 0.011 . 1 . . 108 . A 162 ALA N . 30832 1 1185 . 1 . 1 105 105 ASP H H 1 8.064 0.002 . 1 . . 123 . A 163 ASP H . 30832 1 1186 . 1 . 1 105 105 ASP HA H 1 4.624 0.001 . 1 . . 676 . A 163 ASP HA . 30832 1 1187 . 1 . 1 105 105 ASP HB2 H 1 2.763 0.005 . 2 . . 674 . A 163 ASP HB2 . 30832 1 1188 . 1 . 1 105 105 ASP HB3 H 1 2.763 0.005 . 2 . . 675 . A 163 ASP HB3 . 30832 1 1189 . 1 . 1 105 105 ASP C C 13 177.526 0.046 . 1 . . 124 . A 163 ASP C . 30832 1 1190 . 1 . 1 105 105 ASP CA C 13 55.401 0.064 . 1 . . 126 . A 163 ASP CA . 30832 1 1191 . 1 . 1 105 105 ASP CB C 13 40.982 0.106 . 1 . . 125 . A 163 ASP CB . 30832 1 1192 . 1 . 1 105 105 ASP N N 15 117.942 0.021 . 1 . . 122 . A 163 ASP N . 30832 1 1193 . 1 . 1 106 106 GLY H H 1 8.037 0.008 . 1 . . 128 . A 164 GLY H . 30832 1 1194 . 1 . 1 106 106 GLY HA2 H 1 3.993 . . 1 . . 434 . A 164 GLY HA2 . 30832 1 1195 . 1 . 1 106 106 GLY HA3 H 1 3.993 . . 1 . . 435 . A 164 GLY HA3 . 30832 1 1196 . 1 . 1 106 106 GLY C C 13 175.012 0.012 . 1 . . 129 . A 164 GLY C . 30832 1 1197 . 1 . 1 106 106 GLY CA C 13 45.934 0.049 . 1 . . 130 . A 164 GLY CA . 30832 1 1198 . 1 . 1 106 106 GLY N N 15 107.726 0.066 . 1 . . 127 . A 164 GLY N . 30832 1 1199 . 1 . 1 107 107 VAL H H 1 7.844 0.002 . 1 . . 132 . A 165 VAL H . 30832 1 1200 . 1 . 1 107 107 VAL HA H 1 4.083 0.015 . 1 . . 427 . A 165 VAL HA . 30832 1 1201 . 1 . 1 107 107 VAL HB H 1 2.189 0.004 . 1 . . 428 . A 165 VAL HB . 30832 1 1202 . 1 . 1 107 107 VAL HG11 H 1 1.007 0.006 . 1 . . 431 . A 165 VAL HG11 . 30832 1 1203 . 1 . 1 107 107 VAL HG12 H 1 1.007 0.006 . 1 . . 431 . A 165 VAL HG12 . 30832 1 1204 . 1 . 1 107 107 VAL HG13 H 1 1.007 0.006 . 1 . . 431 . A 165 VAL HG13 . 30832 1 1205 . 1 . 1 107 107 VAL HG21 H 1 1.035 0.007 . 1 . . 429 . A 165 VAL HG21 . 30832 1 1206 . 1 . 1 107 107 VAL HG22 H 1 1.035 0.007 . 1 . . 429 . A 165 VAL HG22 . 30832 1 1207 . 1 . 1 107 107 VAL HG23 H 1 1.035 0.007 . 1 . . 429 . A 165 VAL HG23 . 30832 1 1208 . 1 . 1 107 107 VAL C C 13 176.711 0.01 . 1 . . 133 . A 165 VAL C . 30832 1 1209 . 1 . 1 107 107 VAL CA C 13 63.344 0.085 . 1 . . 137 . A 165 VAL CA . 30832 1 1210 . 1 . 1 107 107 VAL CB C 13 32.380 0.062 . 1 . . 430 . A 165 VAL CB . 30832 1 1211 . 1 . 1 107 107 VAL CG1 C 13 21.322 0.066 . 1 . . 433 . A 165 VAL CG1 . 30832 1 1212 . 1 . 1 107 107 VAL CG2 C 13 20.970 . . 1 . . 432 . A 165 VAL CG2 . 30832 1 1213 . 1 . 1 107 107 VAL N N 15 119.307 0.025 . 1 . . 131 . A 165 VAL N . 30832 1 1214 . 1 . 1 108 108 GLN H H 1 8.321 0.001 . 1 . . 135 . A 166 GLN H . 30832 1 1215 . 1 . 1 108 108 GLN HA H 1 4.342 0.002 . 1 . . 646 . A 166 GLN HA . 30832 1 1216 . 1 . 1 108 108 GLN HB2 H 1 2.174 0.005 . 2 . . 645 . A 166 GLN HB2 . 30832 1 1217 . 1 . 1 108 108 GLN HB3 H 1 2.073 0.004 . 2 . . 647 . A 166 GLN HB3 . 30832 1 1218 . 1 . 1 108 108 GLN HG2 H 1 2.429 0.001 . 2 . . 648 . A 166 GLN HG2 . 30832 1 1219 . 1 . 1 108 108 GLN HG3 H 1 2.469 0.0 . 2 . . 649 . A 166 GLN HG3 . 30832 1 1220 . 1 . 1 108 108 GLN HE21 H 1 6.890 . . 1 . . 1154 . A 166 GLN HE21 . 30832 1 1221 . 1 . 1 108 108 GLN HE22 H 1 7.527 . . 1 . . 1155 . A 166 GLN HE22 . 30832 1 1222 . 1 . 1 108 108 GLN C C 13 176.233 0.005 . 1 . . 136 . A 166 GLN C . 30832 1 1223 . 1 . 1 108 108 GLN CA C 13 56.355 0.124 . 1 . . 138 . A 166 GLN CA . 30832 1 1224 . 1 . 1 108 108 GLN CB C 13 29.160 0.133 . 1 . . 139 . A 166 GLN CB . 30832 1 1225 . 1 . 1 108 108 GLN CG C 13 33.916 0.079 . 1 . . 644 . A 166 GLN CG . 30832 1 1226 . 1 . 1 108 108 GLN N N 15 122.086 0.016 . 1 . . 134 . A 166 GLN N . 30832 1 1227 . 1 . 1 108 108 GLN NE2 N 15 111.507 0.021 . 1 . . 1153 . A 166 GLN NE2 . 30832 1 1228 . 1 . 1 109 109 LYS H H 1 8.188 0.002 . 1 . . 146 . A 167 LYS H . 30832 1 1229 . 1 . 1 109 109 LYS HA H 1 4.338 0.002 . 1 . . 695 . A 167 LYS HA . 30832 1 1230 . 1 . 1 109 109 LYS HB2 H 1 1.865 0.002 . 2 . . 694 . A 167 LYS HB2 . 30832 1 1231 . 1 . 1 109 109 LYS HB3 H 1 1.810 0.006 . 2 . . 696 . A 167 LYS HB3 . 30832 1 1232 . 1 . 1 109 109 LYS HG2 H 1 1.508 . . 2 . . 703 . A 167 LYS HG2 . 30832 1 1233 . 1 . 1 109 109 LYS HG3 H 1 1.445 . . 2 . . 704 . A 167 LYS HG3 . 30832 1 1234 . 1 . 1 109 109 LYS HD2 H 1 1.720 . . 1 . . 700 . A 167 LYS HD2 . 30832 1 1235 . 1 . 1 109 109 LYS HD3 H 1 1.720 . . 1 . . 701 . A 167 LYS HD3 . 30832 1 1236 . 1 . 1 109 109 LYS HE2 H 1 3.037 . . 1 . . 697 . A 167 LYS HE2 . 30832 1 1237 . 1 . 1 109 109 LYS HE3 H 1 3.037 . . 1 . . 698 . A 167 LYS HE3 . 30832 1 1238 . 1 . 1 109 109 LYS C C 13 176.605 0.012 . 1 . . 144 . A 167 LYS C . 30832 1 1239 . 1 . 1 109 109 LYS CA C 13 56.230 0.074 . 1 . . 147 . A 167 LYS CA . 30832 1 1240 . 1 . 1 109 109 LYS CB C 13 32.975 0.038 . 1 . . 693 . A 167 LYS CB . 30832 1 1241 . 1 . 1 109 109 LYS CG C 13 25.051 0.002 . 1 . . 702 . A 167 LYS CG . 30832 1 1242 . 1 . 1 109 109 LYS CD C 13 29.108 . . 1 . . 699 . A 167 LYS CD . 30832 1 1243 . 1 . 1 109 109 LYS CE C 13 42.235 0.149 . 1 . . 692 . A 167 LYS CE . 30832 1 1244 . 1 . 1 109 109 LYS N N 15 121.596 0.036 . 1 . . 145 . A 167 LYS N . 30832 1 1245 . 1 . 1 110 110 VAL H H 1 7.953 0.002 . 1 . . 143 . A 168 VAL H . 30832 1 1246 . 1 . 1 110 110 VAL HA H 1 4.092 0.003 . 1 . . 421 . A 168 VAL HA . 30832 1 1247 . 1 . 1 110 110 VAL HB H 1 2.078 0.006 . 1 . . 422 . A 168 VAL HB . 30832 1 1248 . 1 . 1 110 110 VAL HG11 H 1 0.917 0.004 . 1 . . 424 . A 168 VAL HG11 . 30832 1 1249 . 1 . 1 110 110 VAL HG12 H 1 0.917 0.004 . 1 . . 424 . A 168 VAL HG12 . 30832 1 1250 . 1 . 1 110 110 VAL HG13 H 1 0.917 0.004 . 1 . . 424 . A 168 VAL HG13 . 30832 1 1251 . 1 . 1 110 110 VAL HG21 H 1 0.958 0.005 . 1 . . 423 . A 168 VAL HG21 . 30832 1 1252 . 1 . 1 110 110 VAL HG22 H 1 0.958 0.005 . 1 . . 423 . A 168 VAL HG22 . 30832 1 1253 . 1 . 1 110 110 VAL HG23 H 1 0.958 0.005 . 1 . . 423 . A 168 VAL HG23 . 30832 1 1254 . 1 . 1 110 110 VAL C C 13 175.923 0.046 . 1 . . 141 . A 168 VAL C . 30832 1 1255 . 1 . 1 110 110 VAL CA C 13 62.452 0.104 . 1 . . 61 . A 168 VAL CA . 30832 1 1256 . 1 . 1 110 110 VAL CB C 13 32.610 0.229 . 1 . . 60 . A 168 VAL CB . 30832 1 1257 . 1 . 1 110 110 VAL CG1 C 13 21.063 . . 1 . . 426 . A 168 VAL CG1 . 30832 1 1258 . 1 . 1 110 110 VAL CG2 C 13 20.676 . . 1 . . 425 . A 168 VAL CG2 . 30832 1 1259 . 1 . 1 110 110 VAL N N 15 120.027 0.03 . 1 . . 142 . A 168 VAL N . 30832 1 1260 . 1 . 1 111 111 HIS H H 1 8.537 0.021 . 1 . . 59 . A 169 HIS H . 30832 1 1261 . 1 . 1 111 111 HIS HA H 1 4.735 0.008 . 1 . . 489 . A 169 HIS HA . 30832 1 1262 . 1 . 1 111 111 HIS HB2 H 1 3.184 0.005 . 2 . . 487 . A 169 HIS HB2 . 30832 1 1263 . 1 . 1 111 111 HIS HB3 H 1 3.276 0.004 . 2 . . 488 . A 169 HIS HB3 . 30832 1 1264 . 1 . 1 111 111 HIS HD1 H 1 10.449 . . 1 . . 1167 . A 169 HIS HD1 . 30832 1 1265 . 1 . 1 111 111 HIS HD2 H 1 7.274 . . 1 . . 957 . A 169 HIS HD2 . 30832 1 1266 . 1 . 1 111 111 HIS HE1 H 1 8.507 . . 1 . . 955 . A 169 HIS HE1 . 30832 1 1267 . 1 . 1 111 111 HIS C C 13 174.346 0.02 . 1 . . 140 . A 169 HIS C . 30832 1 1268 . 1 . 1 111 111 HIS CA C 13 55.403 0.077 . 1 . . 57 . A 169 HIS CA . 30832 1 1269 . 1 . 1 111 111 HIS CB C 13 29.307 0.103 . 1 . . 56 . A 169 HIS CB . 30832 1 1270 . 1 . 1 111 111 HIS CD2 C 13 120.213 . . 1 . . 956 . A 169 HIS CD2 . 30832 1 1271 . 1 . 1 111 111 HIS CE1 C 13 136.867 . . 1 . . 954 . A 169 HIS CE1 . 30832 1 1272 . 1 . 1 111 111 HIS N N 15 122.704 0.179 . 1 . . 58 . A 169 HIS N . 30832 1 1273 . 1 . 1 112 112 LYS H H 1 8.390 0.004 . 1 . . 55 . A 170 LYS H . 30832 1 1274 . 1 . 1 112 112 LYS HA H 1 4.381 0.005 . 1 . . 513 . A 170 LYS HA . 30832 1 1275 . 1 . 1 112 112 LYS HB2 H 1 1.885 0.003 . 2 . . 517 . A 170 LYS HB2 . 30832 1 1276 . 1 . 1 112 112 LYS HB3 H 1 1.802 0.005 . 2 . . 518 . A 170 LYS HB3 . 30832 1 1277 . 1 . 1 112 112 LYS HG2 H 1 1.496 0.001 . 2 . . 519 . A 170 LYS HG2 . 30832 1 1278 . 1 . 1 112 112 LYS HG3 H 1 1.454 0.002 . 2 . . 520 . A 170 LYS HG3 . 30832 1 1279 . 1 . 1 112 112 LYS HD2 H 1 1.720 0.001 . 2 . . 521 . A 170 LYS HD2 . 30832 1 1280 . 1 . 1 112 112 LYS HD3 H 1 1.720 0.001 . 2 . . 522 . A 170 LYS HD3 . 30832 1 1281 . 1 . 1 112 112 LYS HE2 H 1 3.033 0.002 . 2 . . 514 . A 170 LYS HE2 . 30832 1 1282 . 1 . 1 112 112 LYS HE3 H 1 3.033 0.002 . 2 . . 515 . A 170 LYS HE3 . 30832 1 1283 . 1 . 1 112 112 LYS C C 13 176.767 . . 1 . . 322 . A 170 LYS C . 30832 1 1284 . 1 . 1 112 112 LYS CA C 13 56.234 0.18 . 1 . . 27 . A 170 LYS CA . 30832 1 1285 . 1 . 1 112 112 LYS CB C 13 33.260 0.049 . 1 . . 516 . A 170 LYS CB . 30832 1 1286 . 1 . 1 112 112 LYS CG C 13 24.694 0.077 . 1 . . 512 . A 170 LYS CG . 30832 1 1287 . 1 . 1 112 112 LYS CD C 13 29.172 0.017 . 1 . . 1180 . A 170 LYS CD . 30832 1 1288 . 1 . 1 112 112 LYS CE C 13 42.121 0.078 . 1 . . 511 . A 170 LYS CE . 30832 1 1289 . 1 . 1 112 112 LYS N N 15 123.792 0.097 . 1 . . 54 . A 170 LYS N . 30832 1 1290 . 1 . 1 113 113 GLY H H 1 8.452 0.001 . 1 . . 26 . A 171 GLY H . 30832 1 1291 . 1 . 1 113 113 GLY HA2 H 1 4.041 . . 1 . . 400 . A 171 GLY HA2 . 30832 1 1292 . 1 . 1 113 113 GLY HA3 H 1 4.041 . . 1 . . 401 . A 171 GLY HA3 . 30832 1 1293 . 1 . 1 113 113 GLY C C 13 173.532 0.01 . 1 . . 309 . A 171 GLY C . 30832 1 1294 . 1 . 1 113 113 GLY CA C 13 45.313 0.015 . 1 . . 24 . A 171 GLY CA . 30832 1 1295 . 1 . 1 113 113 GLY N N 15 110.905 0.009 . 1 . . 25 . A 171 GLY N . 30832 1 1296 . 1 . 1 114 114 THR H H 1 7.721 0.002 . 1 . . 21 . A 172 THR H . 30832 1 1297 . 1 . 1 114 114 THR HA H 1 4.210 0.005 . 1 . . 390 . A 172 THR HA . 30832 1 1298 . 1 . 1 114 114 THR HB H 1 4.293 0.005 . 1 . . 389 . A 172 THR HB . 30832 1 1299 . 1 . 1 114 114 THR HG21 H 1 1.205 0.005 . 1 . . 392 . A 172 THR HG21 . 30832 1 1300 . 1 . 1 114 114 THR HG22 H 1 1.205 0.005 . 1 . . 392 . A 172 THR HG22 . 30832 1 1301 . 1 . 1 114 114 THR HG23 H 1 1.205 0.005 . 1 . . 392 . A 172 THR HG23 . 30832 1 1302 . 1 . 1 114 114 THR C C 13 179.415 . . 1 . . 308 . A 172 THR C . 30832 1 1303 . 1 . 1 114 114 THR CA C 13 63.225 0.071 . 1 . . 22 . A 172 THR CA . 30832 1 1304 . 1 . 1 114 114 THR CB C 13 70.579 0.191 . 1 . . 23 . A 172 THR CB . 30832 1 1305 . 1 . 1 114 114 THR CG2 C 13 22.092 0.05 . 1 . . 391 . A 172 THR CG2 . 30832 1 1306 . 1 . 1 114 114 THR N N 15 118.652 0.029 . 1 . . 20 . A 172 THR N . 30832 1 stop_ save_