################################### # 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 36352 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 Nhsqc 1 $15N_13C_sample isotropic 36352 1 2 Chsqc 1 $15N_13C_sample isotropic 36352 1 3 '3D HNCO' 1 $15N_13C_sample isotropic 36352 1 4 '3D HNCACB' 1 $15N_13C_sample isotropic 36352 1 5 '3D CBCA(CO)NH' 1 $15N_13C_sample isotropic 36352 1 6 '3D 1H-13C NOESY aliphatic' 1 $15N_13C_sample isotropic 36352 1 7 '3D 1H-15N NOESY' 1 $15N_13C_sample isotropic 36352 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 MET HA H 1 3.997 0.004 . 1 . . 658 . A 1 MET HA . 36352 1 2 . 1 . 1 1 1 MET HB3 H 1 2.112 0.002 . 2 . . 662 . A 1 MET HB3 . 36352 1 3 . 1 . 1 1 1 MET HB2 H 1 2.111 0.002 . 2 . . 660 . A 1 MET HB2 . 36352 1 4 . 1 . 1 1 1 MET HG3 H 1 2.612 0.001 . 2 . . 664 . A 1 MET HG3 . 36352 1 5 . 1 . 1 1 1 MET HG2 H 1 2.612 0.001 . 2 . . 663 . A 1 MET HG2 . 36352 1 6 . 1 . 1 1 1 MET HE1 H 1 2.093 . . 1 . . 666 . A 1 MET HE1 . 36352 1 7 . 1 . 1 1 1 MET HE2 H 1 2.093 . . 1 . . 666 . A 1 MET HE2 . 36352 1 8 . 1 . 1 1 1 MET HE3 H 1 2.093 . . 1 . . 666 . A 1 MET HE3 . 36352 1 9 . 1 . 1 1 1 MET CA C 13 55.501 0.103 . 1 . . 659 . A 1 MET CA . 36352 1 10 . 1 . 1 1 1 MET CB C 13 33.752 0.02 . 1 . . 661 . A 1 MET CB . 36352 1 11 . 1 . 1 1 1 MET CG C 13 31.206 0.018 . 1 . . 665 . A 1 MET CG . 36352 1 12 . 1 . 1 1 1 MET CE C 13 16.858 . . 1 . . 667 . A 1 MET CE . 36352 1 13 . 1 . 1 2 2 GLU HA H 1 4.327 0.001 . 1 . . 287 . A 2 GLU HA . 36352 1 14 . 1 . 1 2 2 GLU HB3 H 1 2.036 0.001 . 2 . . 425 . A 2 GLU HB3 . 36352 1 15 . 1 . 1 2 2 GLU HB2 H 1 1.969 0.003 . 2 . . 297 . A 2 GLU HB2 . 36352 1 16 . 1 . 1 2 2 GLU HG3 H 1 2.279 0.001 . 2 . . 427 . A 2 GLU HG3 . 36352 1 17 . 1 . 1 2 2 GLU HG2 H 1 2.278 0.001 . 2 . . 426 . A 2 GLU HG2 . 36352 1 18 . 1 . 1 2 2 GLU C C 13 176.054 0.005 . 1 . . 230 . A 2 GLU C . 36352 1 19 . 1 . 1 2 2 GLU CA C 13 57.023 0.052 . 1 . . 229 . A 2 GLU CA . 36352 1 20 . 1 . 1 2 2 GLU CB C 13 30.378 0.034 . 1 . . 231 . A 2 GLU CB . 36352 1 21 . 1 . 1 2 2 GLU CG C 13 36.322 0.011 . 1 . . 441 . A 2 GLU CG . 36352 1 22 . 1 . 1 3 3 ASP HA H 1 4.540 0.002 . 1 . . 289 . A 3 ASP HA . 36352 1 23 . 1 . 1 3 3 ASP HB2 H 1 2.732 0.001 . 1 . . 288 . A 3 ASP HB2 . 36352 1 24 . 1 . 1 3 3 ASP H H 1 8.489 0.001 . 1 . . 103 . A 3 ASP H . 36352 1 25 . 1 . 1 3 3 ASP C C 13 177.155 . . 1 . . 180 . A 3 ASP C . 36352 1 26 . 1 . 1 3 3 ASP CA C 13 54.381 0.02 . 1 . . 233 . A 3 ASP CA . 36352 1 27 . 1 . 1 3 3 ASP CB C 13 41.465 0.034 . 1 . . 232 . A 3 ASP CB . 36352 1 28 . 1 . 1 3 3 ASP N N 15 121.629 0.074 . 1 . . 104 . A 3 ASP N . 36352 1 29 . 1 . 1 4 4 VAL HA H 1 3.250 0.001 . 1 . . 290 . A 4 VAL HA . 36352 1 30 . 1 . 1 4 4 VAL HB H 1 1.368 0.002 . 1 . . 291 . A 4 VAL HB . 36352 1 31 . 1 . 1 4 4 VAL HG11 H 1 0.296 0.003 . 2 . . 534 . A 4 VAL HG11 . 36352 1 32 . 1 . 1 4 4 VAL HG12 H 1 0.296 0.003 . 2 . . 534 . A 4 VAL HG12 . 36352 1 33 . 1 . 1 4 4 VAL HG13 H 1 0.296 0.003 . 2 . . 534 . A 4 VAL HG13 . 36352 1 34 . 1 . 1 4 4 VAL HG21 H 1 0.610 0.002 . 2 . . 535 . A 4 VAL HG21 . 36352 1 35 . 1 . 1 4 4 VAL HG22 H 1 0.610 0.002 . 2 . . 535 . A 4 VAL HG22 . 36352 1 36 . 1 . 1 4 4 VAL HG23 H 1 0.610 0.002 . 2 . . 535 . A 4 VAL HG23 . 36352 1 37 . 1 . 1 4 4 VAL H H 1 8.191 0.001 . 1 . . 63 . A 4 VAL H . 36352 1 38 . 1 . 1 4 4 VAL C C 13 176.379 . . 1 . . 259 . A 4 VAL C . 36352 1 39 . 1 . 1 4 4 VAL CA C 13 65.910 0.026 . 1 . . 182 . A 4 VAL CA . 36352 1 40 . 1 . 1 4 4 VAL CB C 13 30.872 0.061 . 1 . . 181 . A 4 VAL CB . 36352 1 41 . 1 . 1 4 4 VAL CG1 C 13 21.925 0.032 . 2 . . 533 . A 4 VAL CG1 . 36352 1 42 . 1 . 1 4 4 VAL CG2 C 13 20.553 0.031 . 2 . . 536 . A 4 VAL CG2 . 36352 1 43 . 1 . 1 4 4 VAL N N 15 123.155 0.032 . 1 . . 64 . A 4 VAL N . 36352 1 44 . 1 . 1 5 5 LYS HA H 1 3.693 0.003 . 1 . . 293 . A 5 LYS HA . 36352 1 45 . 1 . 1 5 5 LYS HB3 H 1 1.963 0.006 . 2 . . 294 . A 5 LYS HB3 . 36352 1 46 . 1 . 1 5 5 LYS HB2 H 1 1.785 0.003 . 2 . . 292 . A 5 LYS HB2 . 36352 1 47 . 1 . 1 5 5 LYS HG3 H 1 1.438 0.0 . 2 . . 604 . A 5 LYS HG3 . 36352 1 48 . 1 . 1 5 5 LYS HG2 H 1 1.344 0.0 . 2 . . 603 . A 5 LYS HG2 . 36352 1 49 . 1 . 1 5 5 LYS HD3 H 1 1.648 0.0 . 1 . . 608 . A 5 LYS HD3 . 36352 1 50 . 1 . 1 5 5 LYS HD2 H 1 1.648 0.0 . 1 . . 607 . A 5 LYS HD2 . 36352 1 51 . 1 . 1 5 5 LYS HE3 H 1 2.746 . . 2 . . 592 . A 5 LYS HE3 . 36352 1 52 . 1 . 1 5 5 LYS HE2 H 1 2.938 0.001 . 2 . . 590 . A 5 LYS HE2 . 36352 1 53 . 1 . 1 5 5 LYS H H 1 8.041 0.001 . 1 . . 9 . A 5 LYS H . 36352 1 54 . 1 . 1 5 5 LYS C C 13 178.260 . . 1 . . 267 . A 5 LYS C . 36352 1 55 . 1 . 1 5 5 LYS CA C 13 61.072 0.014 . 1 . . 114 . A 5 LYS CA . 36352 1 56 . 1 . 1 5 5 LYS CB C 13 32.203 0.067 . 1 . . 113 . A 5 LYS CB . 36352 1 57 . 1 . 1 5 5 LYS CG C 13 25.018 0.0 . 1 . . 605 . A 5 LYS CG . 36352 1 58 . 1 . 1 5 5 LYS CD C 13 30.116 0.017 . 1 . . 606 . A 5 LYS CD . 36352 1 59 . 1 . 1 5 5 LYS CE C 13 41.263 0.029 . 1 . . 591 . A 5 LYS CE . 36352 1 60 . 1 . 1 5 5 LYS N N 15 121.750 0.072 . 1 . . 10 . A 5 LYS N . 36352 1 61 . 1 . 1 6 6 GLN HA H 1 4.116 0.001 . 1 . . 296 . A 6 GLN HA . 36352 1 62 . 1 . 1 6 6 GLN HB3 H 1 2.088 . . 2 . . 421 . A 6 GLN HB3 . 36352 1 63 . 1 . 1 6 6 GLN HB2 H 1 2.163 . . 2 . . 295 . A 6 GLN HB2 . 36352 1 64 . 1 . 1 6 6 GLN HG3 H 1 2.407 0.004 . 2 . . 420 . A 6 GLN HG3 . 36352 1 65 . 1 . 1 6 6 GLN HG2 H 1 2.562 0.003 . 2 . . 418 . A 6 GLN HG2 . 36352 1 66 . 1 . 1 6 6 GLN HE21 H 1 7.606 0.0 . 1 . . 250 . A 6 GLN HE21 . 36352 1 67 . 1 . 1 6 6 GLN HE22 H 1 6.844 0.003 . 1 . . 252 . A 6 GLN HE22 . 36352 1 68 . 1 . 1 6 6 GLN H H 1 8.267 0.001 . 1 . . 43 . A 6 GLN H . 36352 1 69 . 1 . 1 6 6 GLN C C 13 179.230 . . 1 . . 139 . A 6 GLN C . 36352 1 70 . 1 . 1 6 6 GLN CA C 13 58.985 0.012 . 1 . . 141 . A 6 GLN CA . 36352 1 71 . 1 . 1 6 6 GLN CB C 13 28.795 0.075 . 1 . . 140 . A 6 GLN CB . 36352 1 72 . 1 . 1 6 6 GLN CG C 13 34.535 0.023 . 1 . . 419 . A 6 GLN CG . 36352 1 73 . 1 . 1 6 6 GLN N N 15 117.883 0.071 . 1 . . 44 . A 6 GLN N . 36352 1 74 . 1 . 1 6 6 GLN NE2 N 15 111.453 0.114 . 1 . . 251 . A 6 GLN NE2 . 36352 1 75 . 1 . 1 7 7 SER HA H 1 4.245 0.003 . 1 . . 298 . A 7 SER HA . 36352 1 76 . 1 . 1 7 7 SER HB3 H 1 3.956 0.009 . 2 . . 300 . A 7 SER HB3 . 36352 1 77 . 1 . 1 7 7 SER HB2 H 1 4.118 0.003 . 2 . . 299 . A 7 SER HB2 . 36352 1 78 . 1 . 1 7 7 SER H H 1 8.065 0.001 . 1 . . 31 . A 7 SER H . 36352 1 79 . 1 . 1 7 7 SER C C 13 176.131 . . 1 . . 136 . A 7 SER C . 36352 1 80 . 1 . 1 7 7 SER CA C 13 62.537 0.042 . 1 . . 137 . A 7 SER CA . 36352 1 81 . 1 . 1 7 7 SER CB C 13 62.966 0.029 . 1 . . 525 . A 7 SER CB . 36352 1 82 . 1 . 1 7 7 SER N N 15 116.139 0.097 . 1 . . 32 . A 7 SER N . 36352 1 83 . 1 . 1 8 8 VAL HA H 1 3.414 0.002 . 1 . . 412 . A 8 VAL HA . 36352 1 84 . 1 . 1 8 8 VAL HB H 1 2.038 0.008 . 1 . . 411 . A 8 VAL HB . 36352 1 85 . 1 . 1 8 8 VAL HG11 H 1 0.710 0.002 . 2 . . 537 . A 8 VAL HG11 . 36352 1 86 . 1 . 1 8 8 VAL HG12 H 1 0.710 0.002 . 2 . . 537 . A 8 VAL HG12 . 36352 1 87 . 1 . 1 8 8 VAL HG13 H 1 0.710 0.002 . 2 . . 537 . A 8 VAL HG13 . 36352 1 88 . 1 . 1 8 8 VAL HG21 H 1 1.035 0.002 . 2 . . 539 . A 8 VAL HG21 . 36352 1 89 . 1 . 1 8 8 VAL HG22 H 1 1.035 0.002 . 2 . . 539 . A 8 VAL HG22 . 36352 1 90 . 1 . 1 8 8 VAL HG23 H 1 1.035 0.002 . 2 . . 539 . A 8 VAL HG23 . 36352 1 91 . 1 . 1 8 8 VAL H H 1 8.384 0.002 . 1 . . 29 . A 8 VAL H . 36352 1 92 . 1 . 1 8 8 VAL C C 13 176.839 . . 1 . . 283 . A 8 VAL C . 36352 1 93 . 1 . 1 8 8 VAL CA C 13 66.826 0.035 . 1 . . 255 . A 8 VAL CA . 36352 1 94 . 1 . 1 8 8 VAL CB C 13 31.692 0.029 . 1 . . 138 . A 8 VAL CB . 36352 1 95 . 1 . 1 8 8 VAL CG1 C 13 23.231 0.029 . 2 . . 538 . A 8 VAL CG1 . 36352 1 96 . 1 . 1 8 8 VAL CG2 C 13 24.805 0.022 . 2 . . 540 . A 8 VAL CG2 . 36352 1 97 . 1 . 1 8 8 VAL N N 15 121.921 0.054 . 1 . . 30 . A 8 VAL N . 36352 1 98 . 1 . 1 9 9 GLU HA H 1 3.482 0.002 . 1 . . 301 . A 9 GLU HA . 36352 1 99 . 1 . 1 9 9 GLU HB3 H 1 2.096 . . 2 . . 439 . A 9 GLU HB3 . 36352 1 100 . 1 . 1 9 9 GLU HB2 H 1 2.096 0.0 . 2 . . 302 . A 9 GLU HB2 . 36352 1 101 . 1 . 1 9 9 GLU HG3 H 1 2.246 . . 2 . . 438 . A 9 GLU HG3 . 36352 1 102 . 1 . 1 9 9 GLU HG2 H 1 2.248 0.003 . 2 . . 437 . A 9 GLU HG2 . 36352 1 103 . 1 . 1 9 9 GLU H H 1 8.260 0.0 . 1 . . 65 . A 9 GLU H . 36352 1 104 . 1 . 1 9 9 GLU C C 13 176.982 . . 1 . . 265 . A 9 GLU C . 36352 1 105 . 1 . 1 9 9 GLU CA C 13 60.773 0.043 . 1 . . 254 . A 9 GLU CA . 36352 1 106 . 1 . 1 9 9 GLU CB C 13 29.567 0.039 . 1 . . 256 . A 9 GLU CB . 36352 1 107 . 1 . 1 9 9 GLU CG C 13 37.327 0.029 . 1 . . 440 . A 9 GLU CG . 36352 1 108 . 1 . 1 9 9 GLU N N 15 118.714 0.047 . 1 . . 66 . A 9 GLU N . 36352 1 109 . 1 . 1 10 10 LYS HA H 1 3.781 0.001 . 1 . . 303 . A 10 LYS HA . 36352 1 110 . 1 . 1 10 10 LYS HB3 H 1 1.879 0.002 . 2 . . 598 . A 10 LYS HB3 . 36352 1 111 . 1 . 1 10 10 LYS HB2 H 1 1.880 0.002 . 2 . . 304 . A 10 LYS HB2 . 36352 1 112 . 1 . 1 10 10 LYS HG3 H 1 1.475 0.0 . 2 . . 600 . A 10 LYS HG3 . 36352 1 113 . 1 . 1 10 10 LYS HG2 H 1 1.343 0.003 . 2 . . 599 . A 10 LYS HG2 . 36352 1 114 . 1 . 1 10 10 LYS HD3 H 1 1.685 0.0 . 2 . . 597 . A 10 LYS HD3 . 36352 1 115 . 1 . 1 10 10 LYS HD2 H 1 1.627 0.0 . 2 . . 595 . A 10 LYS HD2 . 36352 1 116 . 1 . 1 10 10 LYS HE3 H 1 2.936 0.0 . 2 . . 594 . A 10 LYS HE3 . 36352 1 117 . 1 . 1 10 10 LYS HE2 H 1 2.970 0.0 . 2 . . 593 . A 10 LYS HE2 . 36352 1 118 . 1 . 1 10 10 LYS H H 1 7.734 0.001 . 1 . . 35 . A 10 LYS H . 36352 1 119 . 1 . 1 10 10 LYS C C 13 178.157 . . 1 . . 108 . A 10 LYS C . 36352 1 120 . 1 . 1 10 10 LYS CA C 13 59.655 0.025 . 1 . . 148 . A 10 LYS CA . 36352 1 121 . 1 . 1 10 10 LYS CB C 13 32.584 0.047 . 1 . . 147 . A 10 LYS CB . 36352 1 122 . 1 . 1 10 10 LYS CG C 13 25.111 0.02 . 1 . . 601 . A 10 LYS CG . 36352 1 123 . 1 . 1 10 10 LYS CD C 13 29.173 0.003 . 1 . . 596 . A 10 LYS CD . 36352 1 124 . 1 . 1 10 10 LYS CE C 13 42.174 0.008 . 1 . . 602 . A 10 LYS CE . 36352 1 125 . 1 . 1 10 10 LYS N N 15 116.241 0.046 . 1 . . 36 . A 10 LYS N . 36352 1 126 . 1 . 1 11 11 ILE HA H 1 3.831 0.002 . 1 . . 306 . A 11 ILE HA . 36352 1 127 . 1 . 1 11 11 ILE HB H 1 1.916 0.001 . 1 . . 305 . A 11 ILE HB . 36352 1 128 . 1 . 1 11 11 ILE HG13 H 1 1.463 0.001 . 2 . . 445 . A 11 ILE HG13 . 36352 1 129 . 1 . 1 11 11 ILE HG12 H 1 1.406 0.002 . 2 . . 444 . A 11 ILE HG12 . 36352 1 130 . 1 . 1 11 11 ILE HG21 H 1 0.789 0.001 . 1 . . 442 . A 11 ILE HG21 . 36352 1 131 . 1 . 1 11 11 ILE HG22 H 1 0.789 0.001 . 1 . . 442 . A 11 ILE HG22 . 36352 1 132 . 1 . 1 11 11 ILE HG23 H 1 0.789 0.001 . 1 . . 442 . A 11 ILE HG23 . 36352 1 133 . 1 . 1 11 11 ILE HD11 H 1 0.708 0.001 . 1 . . 447 . A 11 ILE HD11 . 36352 1 134 . 1 . 1 11 11 ILE HD12 H 1 0.708 0.001 . 1 . . 447 . A 11 ILE HD12 . 36352 1 135 . 1 . 1 11 11 ILE HD13 H 1 0.708 0.001 . 1 . . 447 . A 11 ILE HD13 . 36352 1 136 . 1 . 1 11 11 ILE H H 1 7.541 0.001 . 1 . . 5 . A 11 ILE H . 36352 1 137 . 1 . 1 11 11 ILE C C 13 177.601 . . 1 . . 110 . A 11 ILE C . 36352 1 138 . 1 . 1 11 11 ILE CA C 13 62.691 0.011 . 1 . . 235 . A 11 ILE CA . 36352 1 139 . 1 . 1 11 11 ILE CB C 13 36.592 0.037 . 1 . . 109 . A 11 ILE CB . 36352 1 140 . 1 . 1 11 11 ILE CG1 C 13 28.786 0.028 . 1 . . 448 . A 11 ILE CG1 . 36352 1 141 . 1 . 1 11 11 ILE CG2 C 13 18.475 0.001 . 1 . . 443 . A 11 ILE CG2 . 36352 1 142 . 1 . 1 11 11 ILE CD1 C 13 11.588 0.023 . 1 . . 446 . A 11 ILE CD1 . 36352 1 143 . 1 . 1 11 11 ILE N N 15 117.251 0.064 . 1 . . 6 . A 11 ILE N . 36352 1 144 . 1 . 1 12 12 ILE HA H 1 3.494 0.005 . 1 . . 307 . A 12 ILE HA . 36352 1 145 . 1 . 1 12 12 ILE HB H 1 1.686 0.0 . 1 . . 308 . A 12 ILE HB . 36352 1 146 . 1 . 1 12 12 ILE HG13 H 1 0.852 0.002 . 2 . . 450 . A 12 ILE HG13 . 36352 1 147 . 1 . 1 12 12 ILE HG12 H 1 1.947 0.003 . 2 . . 449 . A 12 ILE HG12 . 36352 1 148 . 1 . 1 12 12 ILE HG21 H 1 0.935 0.001 . 1 . . 452 . A 12 ILE HG21 . 36352 1 149 . 1 . 1 12 12 ILE HG22 H 1 0.935 0.001 . 1 . . 452 . A 12 ILE HG22 . 36352 1 150 . 1 . 1 12 12 ILE HG23 H 1 0.935 0.001 . 1 . . 452 . A 12 ILE HG23 . 36352 1 151 . 1 . 1 12 12 ILE HD11 H 1 0.629 0.001 . 1 . . 454 . A 12 ILE HD11 . 36352 1 152 . 1 . 1 12 12 ILE HD12 H 1 0.629 0.001 . 1 . . 454 . A 12 ILE HD12 . 36352 1 153 . 1 . 1 12 12 ILE HD13 H 1 0.629 0.001 . 1 . . 454 . A 12 ILE HD13 . 36352 1 154 . 1 . 1 12 12 ILE H H 1 7.880 0.001 . 1 . . 7 . A 12 ILE H . 36352 1 155 . 1 . 1 12 12 ILE C C 13 177.364 . . 1 . . 258 . A 12 ILE C . 36352 1 156 . 1 . 1 12 12 ILE CA C 13 66.065 0.041 . 1 . . 112 . A 12 ILE CA . 36352 1 157 . 1 . 1 12 12 ILE CB C 13 37.521 0.041 . 1 . . 111 . A 12 ILE CB . 36352 1 158 . 1 . 1 12 12 ILE CG1 C 13 29.928 0.022 . 1 . . 451 . A 12 ILE CG1 . 36352 1 159 . 1 . 1 12 12 ILE CG2 C 13 17.648 0.006 . 1 . . 453 . A 12 ILE CG2 . 36352 1 160 . 1 . 1 12 12 ILE CD1 C 13 15.125 0.006 . 1 . . 455 . A 12 ILE CD1 . 36352 1 161 . 1 . 1 12 12 ILE N N 15 119.472 0.04 . 1 . . 8 . A 12 ILE N . 36352 1 162 . 1 . 1 13 13 LYS HA H 1 3.291 0.001 . 1 . . 309 . A 13 LYS HA . 36352 1 163 . 1 . 1 13 13 LYS HB3 H 1 1.060 0.004 . 2 . . 609 . A 13 LYS HB3 . 36352 1 164 . 1 . 1 13 13 LYS HB2 H 1 1.492 0.003 . 2 . . 310 . A 13 LYS HB2 . 36352 1 165 . 1 . 1 13 13 LYS HG3 H 1 0.639 0.002 . 2 . . 612 . A 13 LYS HG3 . 36352 1 166 . 1 . 1 13 13 LYS HG2 H 1 0.876 0.003 . 2 . . 610 . A 13 LYS HG2 . 36352 1 167 . 1 . 1 13 13 LYS HD3 H 1 1.318 0.003 . 2 . . 614 . A 13 LYS HD3 . 36352 1 168 . 1 . 1 13 13 LYS HD2 H 1 1.318 0.003 . 2 . . 613 . A 13 LYS HD2 . 36352 1 169 . 1 . 1 13 13 LYS HE3 H 1 2.770 0.001 . 2 . . 616 . A 13 LYS HE3 . 36352 1 170 . 1 . 1 13 13 LYS HE2 H 1 2.768 0.001 . 2 . . 416 . A 13 LYS HE2 . 36352 1 171 . 1 . 1 13 13 LYS H H 1 8.255 0.001 . 1 . . 3 . A 13 LYS H . 36352 1 172 . 1 . 1 13 13 LYS C C 13 178.512 . . 1 . . 275 . A 13 LYS C . 36352 1 173 . 1 . 1 13 13 LYS CA C 13 59.778 0.057 . 1 . . 107 . A 13 LYS CA . 36352 1 174 . 1 . 1 13 13 LYS CB C 13 32.382 0.029 . 1 . . 234 . A 13 LYS CB . 36352 1 175 . 1 . 1 13 13 LYS CG C 13 24.641 0.041 . 1 . . 611 . A 13 LYS CG . 36352 1 176 . 1 . 1 13 13 LYS CD C 13 29.593 0.037 . 1 . . 615 . A 13 LYS CD . 36352 1 177 . 1 . 1 13 13 LYS CE C 13 41.968 0.025 . 1 . . 617 . A 13 LYS CE . 36352 1 178 . 1 . 1 13 13 LYS N N 15 119.925 0.063 . 1 . . 4 . A 13 LYS N . 36352 1 179 . 1 . 1 14 14 ASP HA H 1 4.350 0.002 . 1 . . 311 . A 14 ASP HA . 36352 1 180 . 1 . 1 14 14 ASP HB3 H 1 2.667 0.002 . 2 . . 417 . A 14 ASP HB3 . 36352 1 181 . 1 . 1 14 14 ASP HB2 H 1 2.581 0.004 . 2 . . 312 . A 14 ASP HB2 . 36352 1 182 . 1 . 1 14 14 ASP H H 1 7.878 0.001 . 1 . . 93 . A 14 ASP H . 36352 1 183 . 1 . 1 14 14 ASP C C 13 177.757 . . 1 . . 216 . A 14 ASP C . 36352 1 184 . 1 . 1 14 14 ASP CA C 13 56.640 0.049 . 1 . . 218 . A 14 ASP CA . 36352 1 185 . 1 . 1 14 14 ASP CB C 13 41.386 0.014 . 1 . . 217 . A 14 ASP CB . 36352 1 186 . 1 . 1 14 14 ASP N N 15 116.909 0.052 . 1 . . 94 . A 14 ASP N . 36352 1 187 . 1 . 1 15 15 ARG HA H 1 4.297 0.0 . 1 . . 315 . A 15 ARG HA . 36352 1 188 . 1 . 1 15 15 ARG HB3 H 1 1.573 0.003 . 2 . . 314 . A 15 ARG HB3 . 36352 1 189 . 1 . 1 15 15 ARG HB2 H 1 1.939 0.001 . 2 . . 313 . A 15 ARG HB2 . 36352 1 190 . 1 . 1 15 15 ARG HG3 H 1 1.578 0.003 . 1 . . 557 . A 15 ARG HG3 . 36352 1 191 . 1 . 1 15 15 ARG HG2 H 1 1.578 0.003 . 1 . . 556 . A 15 ARG HG2 . 36352 1 192 . 1 . 1 15 15 ARG HD3 H 1 2.928 0.0 . 1 . . 555 . A 15 ARG HD3 . 36352 1 193 . 1 . 1 15 15 ARG HD2 H 1 2.928 0.0 . 1 . . 553 . A 15 ARG HD2 . 36352 1 194 . 1 . 1 15 15 ARG H H 1 8.165 0.002 . 1 . . 91 . A 15 ARG H . 36352 1 195 . 1 . 1 15 15 ARG C C 13 177.376 . . 1 . . 194 . A 15 ARG C . 36352 1 196 . 1 . 1 15 15 ARG CA C 13 56.212 0.05 . 1 . . 195 . A 15 ARG CA . 36352 1 197 . 1 . 1 15 15 ARG CB C 13 31.578 0.039 . 1 . . 196 . A 15 ARG CB . 36352 1 198 . 1 . 1 15 15 ARG CG C 13 27.768 0.016 . 1 . . 558 . A 15 ARG CG . 36352 1 199 . 1 . 1 15 15 ARG CD C 13 42.655 0.023 . 1 . . 554 . A 15 ARG CD . 36352 1 200 . 1 . 1 15 15 ARG N N 15 116.599 0.096 . 1 . . 92 . A 15 ARG N . 36352 1 201 . 1 . 1 16 16 GLU HA H 1 3.948 0.002 . 1 . . 415 . A 16 GLU HA . 36352 1 202 . 1 . 1 16 16 GLU HB3 H 1 2.455 0.004 . 2 . . 414 . A 16 GLU HB3 . 36352 1 203 . 1 . 1 16 16 GLU HB2 H 1 2.114 0.004 . 2 . . 413 . A 16 GLU HB2 . 36352 1 204 . 1 . 1 16 16 GLU HG3 H 1 2.189 0.008 . 2 . . 436 . A 16 GLU HG3 . 36352 1 205 . 1 . 1 16 16 GLU HG2 H 1 2.145 0.004 . 2 . . 434 . A 16 GLU HG2 . 36352 1 206 . 1 . 1 16 16 GLU H H 1 8.194 0.002 . 1 . . 77 . A 16 GLU H . 36352 1 207 . 1 . 1 16 16 GLU C C 13 176.839 . . 1 . . 284 . A 16 GLU C . 36352 1 208 . 1 . 1 16 16 GLU CA C 13 62.067 0.032 . 1 . . 198 . A 16 GLU CA . 36352 1 209 . 1 . 1 16 16 GLU CB C 13 29.548 0.036 . 1 . . 197 . A 16 GLU CB . 36352 1 210 . 1 . 1 16 16 GLU CG C 13 37.393 0.013 . 1 . . 435 . A 16 GLU CG . 36352 1 211 . 1 . 1 16 16 GLU N N 15 118.133 0.063 . 1 . . 78 . A 16 GLU N . 36352 1 212 . 1 . 1 17 17 TRP HA H 1 5.494 0.003 . 1 . . 318 . A 17 TRP HA . 36352 1 213 . 1 . 1 17 17 TRP HB3 H 1 3.221 0.001 . 2 . . 317 . A 17 TRP HB3 . 36352 1 214 . 1 . 1 17 17 TRP HB2 H 1 3.060 0.0 . 2 . . 316 . A 17 TRP HB2 . 36352 1 215 . 1 . 1 17 17 TRP HD1 H 1 7.047 . . 1 . . 685 . A 17 TRP HD1 . 36352 1 216 . 1 . 1 17 17 TRP HE1 H 1 9.669 . . 1 . . 281 . A 17 TRP HE1 . 36352 1 217 . 1 . 1 17 17 TRP HE3 H 1 7.308 . . 1 . . 686 . A 17 TRP HE3 . 36352 1 218 . 1 . 1 17 17 TRP H H 1 8.257 0.002 . 1 . . 89 . A 17 TRP H . 36352 1 219 . 1 . 1 17 17 TRP C C 13 175.763 . . 1 . . 166 . A 17 TRP C . 36352 1 220 . 1 . 1 17 17 TRP CA C 13 56.200 0.027 . 1 . . 164 . A 17 TRP CA . 36352 1 221 . 1 . 1 17 17 TRP CB C 13 31.337 0.078 . 1 . . 165 . A 17 TRP CB . 36352 1 222 . 1 . 1 17 17 TRP N N 15 118.824 0.068 . 1 . . 90 . A 17 TRP N . 36352 1 223 . 1 . 1 17 17 TRP NE1 N 15 129.009 . . 1 . . 282 . A 17 TRP NE1 . 36352 1 224 . 1 . 1 18 18 VAL HA H 1 5.212 0.001 . 1 . . 320 . A 18 VAL HA . 36352 1 225 . 1 . 1 18 18 VAL HB H 1 2.506 0.002 . 1 . . 319 . A 18 VAL HB . 36352 1 226 . 1 . 1 18 18 VAL HG11 H 1 1.051 . . 2 . . 541 . A 18 VAL HG11 . 36352 1 227 . 1 . 1 18 18 VAL HG12 H 1 1.051 . . 2 . . 541 . A 18 VAL HG12 . 36352 1 228 . 1 . 1 18 18 VAL HG13 H 1 1.051 . . 2 . . 541 . A 18 VAL HG13 . 36352 1 229 . 1 . 1 18 18 VAL HG21 H 1 1.067 0.006 . 2 . . 543 . A 18 VAL HG21 . 36352 1 230 . 1 . 1 18 18 VAL HG22 H 1 1.067 0.006 . 2 . . 543 . A 18 VAL HG22 . 36352 1 231 . 1 . 1 18 18 VAL HG23 H 1 1.067 0.006 . 2 . . 543 . A 18 VAL HG23 . 36352 1 232 . 1 . 1 18 18 VAL H H 1 9.183 0.003 . 1 . . 51 . A 18 VAL H . 36352 1 233 . 1 . 1 18 18 VAL C C 13 175.121 . . 1 . . 209 . A 18 VAL C . 36352 1 234 . 1 . 1 18 18 VAL CA C 13 59.953 0.039 . 1 . . 168 . A 18 VAL CA . 36352 1 235 . 1 . 1 18 18 VAL CB C 13 36.520 0.036 . 1 . . 167 . A 18 VAL CB . 36352 1 236 . 1 . 1 18 18 VAL CG1 C 13 22.634 . . 2 . . 542 . A 18 VAL CG1 . 36352 1 237 . 1 . 1 18 18 VAL CG2 C 13 21.232 0.019 . 2 . . 544 . A 18 VAL CG2 . 36352 1 238 . 1 . 1 18 18 VAL N N 15 116.272 0.042 . 1 . . 52 . A 18 VAL N . 36352 1 239 . 1 . 1 19 19 THR HA H 1 5.283 0.003 . 1 . . 285 . A 19 THR HA . 36352 1 240 . 1 . 1 19 19 THR HB H 1 4.711 0.003 . 1 . . 286 . A 19 THR HB . 36352 1 241 . 1 . 1 19 19 THR HG21 H 1 1.099 0.0 . 1 . . 526 . A 19 THR HG21 . 36352 1 242 . 1 . 1 19 19 THR HG22 H 1 1.099 0.0 . 1 . . 526 . A 19 THR HG22 . 36352 1 243 . 1 . 1 19 19 THR HG23 H 1 1.099 0.0 . 1 . . 526 . A 19 THR HG23 . 36352 1 244 . 1 . 1 19 19 THR H H 1 8.921 0.001 . 1 . . 85 . A 19 THR H . 36352 1 245 . 1 . 1 19 19 THR C C 13 176.071 . . 1 . . 118 . A 19 THR C . 36352 1 246 . 1 . 1 19 19 THR CA C 13 60.397 0.051 . 1 . . 211 . A 19 THR CA . 36352 1 247 . 1 . 1 19 19 THR CB C 13 71.706 0.034 . 1 . . 210 . A 19 THR CB . 36352 1 248 . 1 . 1 19 19 THR CG2 C 13 21.991 0.099 . 1 . . 527 . A 19 THR CG2 . 36352 1 249 . 1 . 1 19 19 THR N N 15 114.027 0.07 . 1 . . 86 . A 19 THR N . 36352 1 250 . 1 . 1 20 20 PHE HA H 1 4.164 0.0 . 1 . . 322 . A 20 PHE HA . 36352 1 251 . 1 . 1 20 20 PHE HB3 H 1 3.138 0.001 . 2 . . 323 . A 20 PHE HB3 . 36352 1 252 . 1 . 1 20 20 PHE HB2 H 1 3.416 0.004 . 2 . . 321 . A 20 PHE HB2 . 36352 1 253 . 1 . 1 20 20 PHE HD1 H 1 7.063 . . 1 . . 692 . A 20 PHE HD1 . 36352 1 254 . 1 . 1 20 20 PHE HD2 H 1 7.063 . . 1 . . 692 . A 20 PHE HD2 . 36352 1 255 . 1 . 1 20 20 PHE HE1 H 1 7.085 . . 1 . . 697 . A 20 PHE HE1 . 36352 1 256 . 1 . 1 20 20 PHE HE2 H 1 7.085 . . 1 . . 697 . A 20 PHE HE2 . 36352 1 257 . 1 . 1 20 20 PHE HZ H 1 7.299 . . 1 . . 698 . A 20 PHE HZ . 36352 1 258 . 1 . 1 20 20 PHE H H 1 9.847 0.001 . 1 . . 13 . A 20 PHE H . 36352 1 259 . 1 . 1 20 20 PHE C C 13 176.682 . . 1 . . 263 . A 20 PHE C . 36352 1 260 . 1 . 1 20 20 PHE CA C 13 62.710 0.014 . 1 . . 120 . A 20 PHE CA . 36352 1 261 . 1 . 1 20 20 PHE CB C 13 39.358 0.03 . 1 . . 119 . A 20 PHE CB . 36352 1 262 . 1 . 1 20 20 PHE N N 15 121.789 0.07 . 1 . . 14 . A 20 PHE N . 36352 1 263 . 1 . 1 21 21 ASN HA H 1 4.230 0.001 . 1 . . 326 . A 21 ASN HA . 36352 1 264 . 1 . 1 21 21 ASN HB3 H 1 2.747 0.002 . 2 . . 325 . A 21 ASN HB3 . 36352 1 265 . 1 . 1 21 21 ASN HB2 H 1 2.752 0.003 . 2 . . 324 . A 21 ASN HB2 . 36352 1 266 . 1 . 1 21 21 ASN HD21 H 1 7.050 0.001 . 1 . . 242 . A 21 ASN HD21 . 36352 1 267 . 1 . 1 21 21 ASN HD22 H 1 7.749 0.001 . 1 . . 244 . A 21 ASN HD22 . 36352 1 268 . 1 . 1 21 21 ASN H H 1 8.423 0.001 . 1 . . 23 . A 21 ASN H . 36352 1 269 . 1 . 1 21 21 ASN C C 13 178.174 . . 1 . . 219 . A 21 ASN C . 36352 1 270 . 1 . 1 21 21 ASN CA C 13 56.377 0.02 . 1 . . 236 . A 21 ASN CA . 36352 1 271 . 1 . 1 21 21 ASN CB C 13 38.006 0.03 . 1 . . 132 . A 21 ASN CB . 36352 1 272 . 1 . 1 21 21 ASN N N 15 113.786 0.092 . 1 . . 24 . A 21 ASN N . 36352 1 273 . 1 . 1 21 21 ASN ND2 N 15 112.105 0.017 . 1 . . 243 . A 21 ASN ND2 . 36352 1 274 . 1 . 1 22 22 ASP HA H 1 4.307 0.001 . 1 . . 327 . A 22 ASP HA . 36352 1 275 . 1 . 1 22 22 ASP HB3 H 1 3.154 0.005 . 2 . . 329 . A 22 ASP HB3 . 36352 1 276 . 1 . 1 22 22 ASP HB2 H 1 2.622 0.001 . 2 . . 328 . A 22 ASP HB2 . 36352 1 277 . 1 . 1 22 22 ASP H H 1 7.785 0.001 . 1 . . 95 . A 22 ASP H . 36352 1 278 . 1 . 1 22 22 ASP C C 13 177.725 . . 1 . . 274 . A 22 ASP C . 36352 1 279 . 1 . 1 22 22 ASP CA C 13 57.288 0.063 . 1 . . 221 . A 22 ASP CA . 36352 1 280 . 1 . 1 22 22 ASP CB C 13 40.725 0.015 . 1 . . 220 . A 22 ASP CB . 36352 1 281 . 1 . 1 22 22 ASP N N 15 119.417 0.07 . 1 . . 96 . A 22 ASP N . 36352 1 282 . 1 . 1 23 23 LEU HA H 1 3.923 0.002 . 1 . . 330 . A 23 LEU HA . 36352 1 283 . 1 . 1 23 23 LEU HB3 H 1 1.345 0.002 . 2 . . 332 . A 23 LEU HB3 . 36352 1 284 . 1 . 1 23 23 LEU HB2 H 1 1.842 0.002 . 2 . . 331 . A 23 LEU HB2 . 36352 1 285 . 1 . 1 23 23 LEU HG H 1 1.712 0.004 . 1 . . 478 . A 23 LEU HG . 36352 1 286 . 1 . 1 23 23 LEU HD11 H 1 0.754 0.002 . 2 . . 480 . A 23 LEU HD11 . 36352 1 287 . 1 . 1 23 23 LEU HD12 H 1 0.754 0.002 . 2 . . 480 . A 23 LEU HD12 . 36352 1 288 . 1 . 1 23 23 LEU HD13 H 1 0.754 0.002 . 2 . . 480 . A 23 LEU HD13 . 36352 1 289 . 1 . 1 23 23 LEU HD21 H 1 0.781 0.001 . 2 . . 482 . A 23 LEU HD21 . 36352 1 290 . 1 . 1 23 23 LEU HD22 H 1 0.781 0.001 . 2 . . 482 . A 23 LEU HD22 . 36352 1 291 . 1 . 1 23 23 LEU HD23 H 1 0.781 0.001 . 2 . . 482 . A 23 LEU HD23 . 36352 1 292 . 1 . 1 23 23 LEU H H 1 7.680 0.001 . 1 . . 81 . A 23 LEU H . 36352 1 293 . 1 . 1 23 23 LEU C C 13 177.972 . . 1 . . 271 . A 23 LEU C . 36352 1 294 . 1 . 1 23 23 LEU CA C 13 58.453 0.037 . 1 . . 205 . A 23 LEU CA . 36352 1 295 . 1 . 1 23 23 LEU CB C 13 41.589 0.048 . 1 . . 204 . A 23 LEU CB . 36352 1 296 . 1 . 1 23 23 LEU CG C 13 26.501 0.061 . 1 . . 479 . A 23 LEU CG . 36352 1 297 . 1 . 1 23 23 LEU CD1 C 13 26.183 0.027 . 2 . . 501 . A 23 LEU CD1 . 36352 1 298 . 1 . 1 23 23 LEU CD2 C 13 25.082 0.047 . 2 . . 481 . A 23 LEU CD2 . 36352 1 299 . 1 . 1 23 23 LEU N N 15 118.810 0.033 . 1 . . 82 . A 23 LEU N . 36352 1 300 . 1 . 1 24 24 LEU HA H 1 4.028 0.004 . 1 . . 333 . A 24 LEU HA . 36352 1 301 . 1 . 1 24 24 LEU HB3 H 1 1.463 0.001 . 2 . . 335 . A 24 LEU HB3 . 36352 1 302 . 1 . 1 24 24 LEU HB2 H 1 1.676 0.0 . 2 . . 334 . A 24 LEU HB2 . 36352 1 303 . 1 . 1 24 24 LEU HG H 1 1.361 0.001 . 1 . . 483 . A 24 LEU HG . 36352 1 304 . 1 . 1 24 24 LEU HD11 H 1 0.838 0.003 . 2 . . 485 . A 24 LEU HD11 . 36352 1 305 . 1 . 1 24 24 LEU HD12 H 1 0.838 0.003 . 2 . . 485 . A 24 LEU HD12 . 36352 1 306 . 1 . 1 24 24 LEU HD13 H 1 0.838 0.003 . 2 . . 485 . A 24 LEU HD13 . 36352 1 307 . 1 . 1 24 24 LEU HD21 H 1 0.636 0.001 . 2 . . 487 . A 24 LEU HD21 . 36352 1 308 . 1 . 1 24 24 LEU HD22 H 1 0.636 0.001 . 2 . . 487 . A 24 LEU HD22 . 36352 1 309 . 1 . 1 24 24 LEU HD23 H 1 0.636 0.001 . 2 . . 487 . A 24 LEU HD23 . 36352 1 310 . 1 . 1 24 24 LEU H H 1 7.315 0.0 . 1 . . 67 . A 24 LEU H . 36352 1 311 . 1 . 1 24 24 LEU C C 13 178.581 . . 1 . . 177 . A 24 LEU C . 36352 1 312 . 1 . 1 24 24 LEU CA C 13 56.529 0.027 . 1 . . 184 . A 24 LEU CA . 36352 1 313 . 1 . 1 24 24 LEU CB C 13 40.940 0.099 . 1 . . 183 . A 24 LEU CB . 36352 1 314 . 1 . 1 24 24 LEU CG C 13 25.692 0.003 . 1 . . 484 . A 24 LEU CG . 36352 1 315 . 1 . 1 24 24 LEU CD1 C 13 25.732 0.08 . 2 . . 486 . A 24 LEU CD1 . 36352 1 316 . 1 . 1 24 24 LEU CD2 C 13 21.783 0.023 . 2 . . 488 . A 24 LEU CD2 . 36352 1 317 . 1 . 1 24 24 LEU N N 15 113.681 0.062 . 1 . . 68 . A 24 LEU N . 36352 1 318 . 1 . 1 25 25 LYS HA H 1 3.929 0.001 . 1 . . 336 . A 25 LYS HA . 36352 1 319 . 1 . 1 25 25 LYS HB3 H 1 1.494 . . 2 . . 627 . A 25 LYS HB3 . 36352 1 320 . 1 . 1 25 25 LYS HB2 H 1 1.569 . . 2 . . 337 . A 25 LYS HB2 . 36352 1 321 . 1 . 1 25 25 LYS HG3 H 1 1.018 0.002 . 2 . . 626 . A 25 LYS HG3 . 36352 1 322 . 1 . 1 25 25 LYS HG2 H 1 1.302 0.003 . 2 . . 624 . A 25 LYS HG2 . 36352 1 323 . 1 . 1 25 25 LYS HD3 H 1 1.517 0.001 . 2 . . 623 . A 25 LYS HD3 . 36352 1 324 . 1 . 1 25 25 LYS HD2 H 1 1.517 0.001 . 2 . . 621 . A 25 LYS HD2 . 36352 1 325 . 1 . 1 25 25 LYS HE3 H 1 2.847 0.001 . 2 . . 619 . A 25 LYS HE3 . 36352 1 326 . 1 . 1 25 25 LYS HE2 H 1 2.848 0.001 . 2 . . 618 . A 25 LYS HE2 . 36352 1 327 . 1 . 1 25 25 LYS H H 1 7.274 0.001 . 1 . . 61 . A 25 LYS H . 36352 1 328 . 1 . 1 25 25 LYS C C 13 178.264 . . 1 . . 222 . A 25 LYS C . 36352 1 329 . 1 . 1 25 25 LYS CA C 13 58.043 0.009 . 1 . . 179 . A 25 LYS CA . 36352 1 330 . 1 . 1 25 25 LYS CB C 13 32.219 0.042 . 1 . . 178 . A 25 LYS CB . 36352 1 331 . 1 . 1 25 25 LYS CG C 13 24.714 0.034 . 1 . . 625 . A 25 LYS CG . 36352 1 332 . 1 . 1 25 25 LYS CD C 13 29.378 0.004 . 1 . . 622 . A 25 LYS CD . 36352 1 333 . 1 . 1 25 25 LYS CE C 13 42.124 0.018 . 1 . . 620 . A 25 LYS CE . 36352 1 334 . 1 . 1 25 25 LYS N N 15 116.131 0.038 . 1 . . 62 . A 25 LYS N . 36352 1 335 . 1 . 1 26 26 TYR HA H 1 4.615 0.002 . 1 . . 338 . A 26 TYR HA . 36352 1 336 . 1 . 1 26 26 TYR HB3 H 1 2.690 0.002 . 2 . . 528 . A 26 TYR HB3 . 36352 1 337 . 1 . 1 26 26 TYR HB2 H 1 3.363 0.005 . 2 . . 339 . A 26 TYR HB2 . 36352 1 338 . 1 . 1 26 26 TYR HD1 H 1 7.145 . . 1 . . 687 . A 26 TYR HD1 . 36352 1 339 . 1 . 1 26 26 TYR HD2 H 1 7.145 . . 1 . . 687 . A 26 TYR HD2 . 36352 1 340 . 1 . 1 26 26 TYR HE1 H 1 6.754 . . 1 . . 690 . A 26 TYR HE1 . 36352 1 341 . 1 . 1 26 26 TYR HE2 H 1 6.754 . . 1 . . 690 . A 26 TYR HE2 . 36352 1 342 . 1 . 1 26 26 TYR H H 1 7.460 0.001 . 1 . . 97 . A 26 TYR H . 36352 1 343 . 1 . 1 26 26 TYR C C 13 175.383 . . 1 . . 206 . A 26 TYR C . 36352 1 344 . 1 . 1 26 26 TYR CA C 13 58.337 0.013 . 1 . . 224 . A 26 TYR CA . 36352 1 345 . 1 . 1 26 26 TYR CB C 13 40.614 0.033 . 1 . . 223 . A 26 TYR CB . 36352 1 346 . 1 . 1 26 26 TYR N N 15 114.893 0.08 . 1 . . 98 . A 26 TYR N . 36352 1 347 . 1 . 1 27 27 ILE HA H 1 4.778 . . 1 . . 456 . A 27 ILE HA . 36352 1 348 . 1 . 1 27 27 ILE HB H 1 2.120 0.0 . 1 . . 457 . A 27 ILE HB . 36352 1 349 . 1 . 1 27 27 ILE HG13 H 1 1.452 0.0 . 2 . . 462 . A 27 ILE HG13 . 36352 1 350 . 1 . 1 27 27 ILE HG12 H 1 1.452 0.001 . 2 . . 458 . A 27 ILE HG12 . 36352 1 351 . 1 . 1 27 27 ILE HG21 H 1 1.015 0.001 . 1 . . 460 . A 27 ILE HG21 . 36352 1 352 . 1 . 1 27 27 ILE HG22 H 1 1.015 0.001 . 1 . . 460 . A 27 ILE HG22 . 36352 1 353 . 1 . 1 27 27 ILE HG23 H 1 1.015 0.001 . 1 . . 460 . A 27 ILE HG23 . 36352 1 354 . 1 . 1 27 27 ILE HD11 H 1 0.794 0.003 . 1 . . 463 . A 27 ILE HD11 . 36352 1 355 . 1 . 1 27 27 ILE HD12 H 1 0.794 0.003 . 1 . . 463 . A 27 ILE HD12 . 36352 1 356 . 1 . 1 27 27 ILE HD13 H 1 0.794 0.003 . 1 . . 463 . A 27 ILE HD13 . 36352 1 357 . 1 . 1 27 27 ILE H H 1 7.811 0.001 . 1 . . 83 . A 27 ILE H . 36352 1 358 . 1 . 1 27 27 ILE CA C 13 56.736 0.074 . 1 . . 208 . A 27 ILE CA . 36352 1 359 . 1 . 1 27 27 ILE CB C 13 38.694 0.018 . 1 . . 207 . A 27 ILE CB . 36352 1 360 . 1 . 1 27 27 ILE CG1 C 13 26.991 0.012 . 1 . . 459 . A 27 ILE CG1 . 36352 1 361 . 1 . 1 27 27 ILE CG2 C 13 19.177 0.009 . 1 . . 461 . A 27 ILE CG2 . 36352 1 362 . 1 . 1 27 27 ILE CD1 C 13 13.797 0.007 . 1 . . 464 . A 27 ILE CD1 . 36352 1 363 . 1 . 1 27 27 ILE N N 15 119.927 0.044 . 1 . . 84 . A 27 ILE N . 36352 1 364 . 1 . 1 28 28 PRO HA H 1 4.712 . . 1 . . 342 . A 28 PRO HA . 36352 1 365 . 1 . 1 28 28 PRO HB3 H 1 1.695 0.003 . 2 . . 341 . A 28 PRO HB3 . 36352 1 366 . 1 . 1 28 28 PRO HB2 H 1 2.114 0.005 . 2 . . 340 . A 28 PRO HB2 . 36352 1 367 . 1 . 1 28 28 PRO HG3 H 1 1.359 0.003 . 2 . . 506 . A 28 PRO HG3 . 36352 1 368 . 1 . 1 28 28 PRO HG2 H 1 1.932 0.004 . 2 . . 504 . A 28 PRO HG2 . 36352 1 369 . 1 . 1 28 28 PRO HD3 H 1 3.611 . . 2 . . 509 . A 28 PRO HD3 . 36352 1 370 . 1 . 1 28 28 PRO HD2 H 1 3.678 . . 2 . . 507 . A 28 PRO HD2 . 36352 1 371 . 1 . 1 28 28 PRO C C 13 175.300 . . 1 . . 213 . A 28 PRO C . 36352 1 372 . 1 . 1 28 28 PRO CA C 13 62.980 0.006 . 1 . . 280 . A 28 PRO CA . 36352 1 373 . 1 . 1 28 28 PRO CB C 13 28.789 0.036 . 1 . . 212 . A 28 PRO CB . 36352 1 374 . 1 . 1 28 28 PRO CG C 13 26.744 0.05 . 1 . . 505 . A 28 PRO CG . 36352 1 375 . 1 . 1 28 28 PRO CD C 13 50.848 0.02 . 1 . . 508 . A 28 PRO CD . 36352 1 376 . 1 . 1 29 29 TYR HA H 1 4.812 0.003 . 1 . . 532 . A 29 TYR HA . 36352 1 377 . 1 . 1 29 29 TYR HB3 H 1 2.134 0.003 . 2 . . 531 . A 29 TYR HB3 . 36352 1 378 . 1 . 1 29 29 TYR HB2 H 1 3.014 0.002 . 2 . . 530 . A 29 TYR HB2 . 36352 1 379 . 1 . 1 29 29 TYR HD1 H 1 7.042 . . 1 . . 682 . A 29 TYR HD1 . 36352 1 380 . 1 . 1 29 29 TYR HD2 H 1 7.042 . . 1 . . 682 . A 29 TYR HD2 . 36352 1 381 . 1 . 1 29 29 TYR HE1 H 1 6.827 . . 1 . . 696 . A 29 TYR HE1 . 36352 1 382 . 1 . 1 29 29 TYR HE2 H 1 6.827 . . 1 . . 696 . A 29 TYR HE2 . 36352 1 383 . 1 . 1 29 29 TYR H H 1 7.728 0.001 . 1 . . 87 . A 29 TYR H . 36352 1 384 . 1 . 1 29 29 TYR CA C 13 56.304 0.099 . 1 . . 215 . A 29 TYR CA . 36352 1 385 . 1 . 1 29 29 TYR CB C 13 40.182 0.037 . 1 . . 214 . A 29 TYR CB . 36352 1 386 . 1 . 1 29 29 TYR N N 15 120.830 0.104 . 1 . . 88 . A 29 TYR N . 36352 1 387 . 1 . 1 30 30 PRO HA H 1 4.452 0.001 . 1 . . 345 . A 30 PRO HA . 36352 1 388 . 1 . 1 30 30 PRO HB3 H 1 2.035 0.002 . 2 . . 344 . A 30 PRO HB3 . 36352 1 389 . 1 . 1 30 30 PRO HB2 H 1 2.530 0.003 . 2 . . 343 . A 30 PRO HB2 . 36352 1 390 . 1 . 1 30 30 PRO HG3 H 1 2.077 0.003 . 2 . . 515 . A 30 PRO HG3 . 36352 1 391 . 1 . 1 30 30 PRO HG2 H 1 2.221 0.001 . 2 . . 513 . A 30 PRO HG2 . 36352 1 392 . 1 . 1 30 30 PRO HD3 H 1 3.793 0.002 . 2 . . 512 . A 30 PRO HD3 . 36352 1 393 . 1 . 1 30 30 PRO HD2 H 1 3.965 0.003 . 2 . . 510 . A 30 PRO HD2 . 36352 1 394 . 1 . 1 30 30 PRO C C 13 177.575 . . 1 . . 124 . A 30 PRO C . 36352 1 395 . 1 . 1 30 30 PRO CA C 13 62.741 0.023 . 1 . . 123 . A 30 PRO CA . 36352 1 396 . 1 . 1 30 30 PRO CB C 13 33.527 0.046 . 1 . . 125 . A 30 PRO CB . 36352 1 397 . 1 . 1 30 30 PRO CG C 13 28.262 0.006 . 1 . . 514 . A 30 PRO CG . 36352 1 398 . 1 . 1 30 30 PRO CD C 13 50.855 0.021 . 1 . . 511 . A 30 PRO CD . 36352 1 399 . 1 . 1 31 31 ALA HA H 1 4.196 . . 1 . . 657 . A 31 ALA HA . 36352 1 400 . 1 . 1 31 31 ALA HB1 H 1 1.646 . . 1 . . 656 . A 31 ALA HB1 . 36352 1 401 . 1 . 1 31 31 ALA HB2 H 1 1.646 . . 1 . . 656 . A 31 ALA HB2 . 36352 1 402 . 1 . 1 31 31 ALA HB3 H 1 1.646 . . 1 . . 656 . A 31 ALA HB3 . 36352 1 403 . 1 . 1 31 31 ALA H H 1 9.002 0.002 . 1 . . 17 . A 31 ALA H . 36352 1 404 . 1 . 1 31 31 ALA CA C 13 56.860 0.001 . 1 . . 127 . A 31 ALA CA . 36352 1 405 . 1 . 1 31 31 ALA CB C 13 16.839 0.09 . 1 . . 126 . A 31 ALA CB . 36352 1 406 . 1 . 1 31 31 ALA N N 15 124.601 0.078 . 1 . . 18 . A 31 ALA N . 36352 1 407 . 1 . 1 32 32 PRO HA H 1 4.401 0.0 . 1 . . 346 . A 32 PRO HA . 36352 1 408 . 1 . 1 32 32 PRO HB3 H 1 1.954 0.005 . 2 . . 348 . A 32 PRO HB3 . 36352 1 409 . 1 . 1 32 32 PRO HB2 H 1 2.376 0.002 . 2 . . 347 . A 32 PRO HB2 . 36352 1 410 . 1 . 1 32 32 PRO HG3 H 1 1.975 0.002 . 2 . . 518 . A 32 PRO HG3 . 36352 1 411 . 1 . 1 32 32 PRO HG2 H 1 2.149 0.003 . 2 . . 516 . A 32 PRO HG2 . 36352 1 412 . 1 . 1 32 32 PRO HD3 H 1 3.648 0.001 . 2 . . 521 . A 32 PRO HD3 . 36352 1 413 . 1 . 1 32 32 PRO HD2 H 1 3.828 0.002 . 2 . . 519 . A 32 PRO HD2 . 36352 1 414 . 1 . 1 32 32 PRO C C 13 179.495 . . 1 . . 200 . A 32 PRO C . 36352 1 415 . 1 . 1 32 32 PRO CA C 13 66.425 0.03 . 1 . . 199 . A 32 PRO CA . 36352 1 416 . 1 . 1 32 32 PRO CB C 13 31.001 0.022 . 1 . . 201 . A 32 PRO CB . 36352 1 417 . 1 . 1 32 32 PRO CG C 13 28.719 0.016 . 1 . . 517 . A 32 PRO CG . 36352 1 418 . 1 . 1 32 32 PRO CD C 13 50.280 0.019 . 1 . . 520 . A 32 PRO CD . 36352 1 419 . 1 . 1 33 33 GLU HA H 1 4.211 0.003 . 1 . . 408 . A 33 GLU HA . 36352 1 420 . 1 . 1 33 33 GLU HB3 H 1 2.199 0.002 . 2 . . 410 . A 33 GLU HB3 . 36352 1 421 . 1 . 1 33 33 GLU HB2 H 1 2.094 0.01 . 2 . . 409 . A 33 GLU HB2 . 36352 1 422 . 1 . 1 33 33 GLU HG3 H 1 2.365 0.003 . 2 . . 433 . A 33 GLU HG3 . 36352 1 423 . 1 . 1 33 33 GLU HG2 H 1 2.369 0.001 . 2 . . 432 . A 33 GLU HG2 . 36352 1 424 . 1 . 1 33 33 GLU H H 1 7.421 0.002 . 1 . . 79 . A 33 GLU H . 36352 1 425 . 1 . 1 33 33 GLU C C 13 179.837 . . 1 . . 260 . A 33 GLU C . 36352 1 426 . 1 . 1 33 33 GLU CA C 13 59.195 0.023 . 1 . . 203 . A 33 GLU CA . 36352 1 427 . 1 . 1 33 33 GLU CB C 13 29.780 0.042 . 1 . . 202 . A 33 GLU CB . 36352 1 428 . 1 . 1 33 33 GLU CG C 13 37.161 0.031 . 1 . . 431 . A 33 GLU CG . 36352 1 429 . 1 . 1 33 33 GLU N N 15 116.406 0.055 . 1 . . 80 . A 33 GLU N . 36352 1 430 . 1 . 1 34 34 VAL HA H 1 3.285 0.001 . 1 . . 349 . A 34 VAL HA . 36352 1 431 . 1 . 1 34 34 VAL HB H 1 2.174 0.006 . 1 . . 350 . A 34 VAL HB . 36352 1 432 . 1 . 1 34 34 VAL HG11 H 1 0.812 . . 2 . . 545 . A 34 VAL HG11 . 36352 1 433 . 1 . 1 34 34 VAL HG12 H 1 0.812 . . 2 . . 545 . A 34 VAL HG12 . 36352 1 434 . 1 . 1 34 34 VAL HG13 H 1 0.812 . . 2 . . 545 . A 34 VAL HG13 . 36352 1 435 . 1 . 1 34 34 VAL HG21 H 1 0.705 . . 2 . . 547 . A 34 VAL HG21 . 36352 1 436 . 1 . 1 34 34 VAL HG22 H 1 0.705 . . 2 . . 547 . A 34 VAL HG22 . 36352 1 437 . 1 . 1 34 34 VAL HG23 H 1 0.705 . . 2 . . 547 . A 34 VAL HG23 . 36352 1 438 . 1 . 1 34 34 VAL H H 1 7.872 0.002 . 1 . . 15 . A 34 VAL H . 36352 1 439 . 1 . 1 34 34 VAL C C 13 177.443 . . 1 . . 257 . A 34 VAL C . 36352 1 440 . 1 . 1 34 34 VAL CA C 13 66.983 0.02 . 1 . . 122 . A 34 VAL CA . 36352 1 441 . 1 . 1 34 34 VAL CB C 13 31.397 0.069 . 1 . . 121 . A 34 VAL CB . 36352 1 442 . 1 . 1 34 34 VAL CG1 C 13 23.522 . . 2 . . 546 . A 34 VAL CG1 . 36352 1 443 . 1 . 1 34 34 VAL CG2 C 13 22.094 . . 2 . . 548 . A 34 VAL CG2 . 36352 1 444 . 1 . 1 34 34 VAL N N 15 121.837 0.057 . 1 . . 16 . A 34 VAL N . 36352 1 445 . 1 . 1 35 35 TYR HA H 1 3.971 0.002 . 1 . . 351 . A 35 TYR HA . 36352 1 446 . 1 . 1 35 35 TYR HB3 H 1 3.051 0.0 . 2 . . 529 . A 35 TYR HB3 . 36352 1 447 . 1 . 1 35 35 TYR HB2 H 1 3.051 0.001 . 2 . . 352 . A 35 TYR HB2 . 36352 1 448 . 1 . 1 35 35 TYR HD1 H 1 6.753 . . 1 . . 688 . A 35 TYR HD1 . 36352 1 449 . 1 . 1 35 35 TYR HD2 H 1 6.753 . . 1 . . 688 . A 35 TYR HD2 . 36352 1 450 . 1 . 1 35 35 TYR H H 1 9.085 0.001 . 1 . . 1 . A 35 TYR H . 36352 1 451 . 1 . 1 35 35 TYR C C 13 178.170 . . 1 . . 262 . A 35 TYR C . 36352 1 452 . 1 . 1 35 35 TYR CA C 13 62.760 0.028 . 1 . . 106 . A 35 TYR CA . 36352 1 453 . 1 . 1 35 35 TYR CB C 13 38.016 0.054 . 1 . . 105 . A 35 TYR CB . 36352 1 454 . 1 . 1 35 35 TYR N N 15 119.711 0.075 . 1 . . 2 . A 35 TYR N . 36352 1 455 . 1 . 1 36 36 ASP HA H 1 4.339 0.001 . 1 . . 353 . A 36 ASP HA . 36352 1 456 . 1 . 1 36 36 ASP HB3 H 1 2.816 0.006 . 2 . . 355 . A 36 ASP HB3 . 36352 1 457 . 1 . 1 36 36 ASP HB2 H 1 2.691 0.005 . 2 . . 354 . A 36 ASP HB2 . 36352 1 458 . 1 . 1 36 36 ASP H H 1 8.178 0.001 . 1 . . 21 . A 36 ASP H . 36352 1 459 . 1 . 1 36 36 ASP C C 13 178.187 . . 1 . . 171 . A 36 ASP C . 36352 1 460 . 1 . 1 36 36 ASP CA C 13 57.653 0.013 . 1 . . 131 . A 36 ASP CA . 36352 1 461 . 1 . 1 36 36 ASP CB C 13 40.913 0.041 . 1 . . 130 . A 36 ASP CB . 36352 1 462 . 1 . 1 36 36 ASP N N 15 120.306 0.041 . 1 . . 22 . A 36 ASP N . 36352 1 463 . 1 . 1 37 37 ALA HA H 1 3.978 0.003 . 1 . . 356 . A 37 ALA HA . 36352 1 464 . 1 . 1 37 37 ALA HB1 H 1 1.359 0.001 . 1 . . 357 . A 37 ALA HB1 . 36352 1 465 . 1 . 1 37 37 ALA HB2 H 1 1.359 0.001 . 1 . . 357 . A 37 ALA HB2 . 36352 1 466 . 1 . 1 37 37 ALA HB3 H 1 1.359 0.001 . 1 . . 357 . A 37 ALA HB3 . 36352 1 467 . 1 . 1 37 37 ALA H H 1 7.695 0.001 . 1 . . 57 . A 37 ALA H . 36352 1 468 . 1 . 1 37 37 ALA C C 13 179.171 . . 1 . . 264 . A 37 ALA C . 36352 1 469 . 1 . 1 37 37 ALA CA C 13 55.214 0.022 . 1 . . 173 . A 37 ALA CA . 36352 1 470 . 1 . 1 37 37 ALA CB C 13 18.504 0.059 . 1 . . 172 . A 37 ALA CB . 36352 1 471 . 1 . 1 37 37 ALA N N 15 122.277 0.061 . 1 . . 58 . A 37 ALA N . 36352 1 472 . 1 . 1 38 38 LEU HA H 1 3.735 0.002 . 1 . . 359 . A 38 LEU HA . 36352 1 473 . 1 . 1 38 38 LEU HB3 H 1 1.333 0.004 . 2 . . 360 . A 38 LEU HB3 . 36352 1 474 . 1 . 1 38 38 LEU HB2 H 1 1.555 0.002 . 2 . . 358 . A 38 LEU HB2 . 36352 1 475 . 1 . 1 38 38 LEU HG H 1 1.128 0.001 . 1 . . 493 . A 38 LEU HG . 36352 1 476 . 1 . 1 38 38 LEU HD11 H 1 -0.036 0.001 . 2 . . 489 . A 38 LEU HD11 . 36352 1 477 . 1 . 1 38 38 LEU HD12 H 1 -0.036 0.001 . 2 . . 489 . A 38 LEU HD12 . 36352 1 478 . 1 . 1 38 38 LEU HD13 H 1 -0.036 0.001 . 2 . . 489 . A 38 LEU HD13 . 36352 1 479 . 1 . 1 38 38 LEU HD21 H 1 0.287 0.001 . 2 . . 491 . A 38 LEU HD21 . 36352 1 480 . 1 . 1 38 38 LEU HD22 H 1 0.287 0.001 . 2 . . 491 . A 38 LEU HD22 . 36352 1 481 . 1 . 1 38 38 LEU HD23 H 1 0.287 0.001 . 2 . . 491 . A 38 LEU HD23 . 36352 1 482 . 1 . 1 38 38 LEU H H 1 8.348 0.002 . 1 . . 27 . A 38 LEU H . 36352 1 483 . 1 . 1 38 38 LEU C C 13 177.816 . . 1 . . 228 . A 38 LEU C . 36352 1 484 . 1 . 1 38 38 LEU CA C 13 58.068 0.071 . 1 . . 227 . A 38 LEU CA . 36352 1 485 . 1 . 1 38 38 LEU CB C 13 42.542 0.039 . 1 . . 241 . A 38 LEU CB . 36352 1 486 . 1 . 1 38 38 LEU CG C 13 26.136 0.013 . 1 . . 494 . A 38 LEU CG . 36352 1 487 . 1 . 1 38 38 LEU CD1 C 13 24.553 0.031 . 2 . . 490 . A 38 LEU CD1 . 36352 1 488 . 1 . 1 38 38 LEU CD2 C 13 23.642 0.033 . 2 . . 492 . A 38 LEU CD2 . 36352 1 489 . 1 . 1 38 38 LEU N N 15 118.513 0.064 . 1 . . 28 . A 38 LEU N . 36352 1 490 . 1 . 1 39 39 SER HA H 1 3.902 0.003 . 1 . . 407 . A 39 SER HA . 36352 1 491 . 1 . 1 39 39 SER HB3 H 1 3.935 . . 2 . . 524 . A 39 SER HB3 . 36352 1 492 . 1 . 1 39 39 SER HB2 H 1 3.768 0.002 . 2 . . 406 . A 39 SER HB2 . 36352 1 493 . 1 . 1 39 39 SER H H 1 8.335 0.001 . 1 . . 101 . A 39 SER H . 36352 1 494 . 1 . 1 39 39 SER C C 13 177.380 . . 1 . . 225 . A 39 SER C . 36352 1 495 . 1 . 1 39 39 SER CA C 13 62.006 0.049 . 1 . . 522 . A 39 SER CA . 36352 1 496 . 1 . 1 39 39 SER CB C 13 62.592 0.011 . 1 . . 523 . A 39 SER CB . 36352 1 497 . 1 . 1 39 39 SER N N 15 113.393 0.078 . 1 . . 102 . A 39 SER N . 36352 1 498 . 1 . 1 40 40 GLN HA H 1 4.012 0.0 . 1 . . 362 . A 40 GLN HA . 36352 1 499 . 1 . 1 40 40 GLN HB3 H 1 2.171 . . 2 . . 363 . A 40 GLN HB3 . 36352 1 500 . 1 . 1 40 40 GLN HB2 H 1 2.038 0.003 . 2 . . 361 . A 40 GLN HB2 . 36352 1 501 . 1 . 1 40 40 GLN HG3 H 1 2.498 . . 2 . . 424 . A 40 GLN HG3 . 36352 1 502 . 1 . 1 40 40 GLN HG2 H 1 2.397 0.0 . 2 . . 422 . A 40 GLN HG2 . 36352 1 503 . 1 . 1 40 40 GLN HE21 H 1 7.637 0.0 . 1 . . 248 . A 40 GLN HE21 . 36352 1 504 . 1 . 1 40 40 GLN HE22 H 1 6.849 0.001 . 1 . . 253 . A 40 GLN HE22 . 36352 1 505 . 1 . 1 40 40 GLN H H 1 7.891 0.001 . 1 . . 99 . A 40 GLN H . 36352 1 506 . 1 . 1 40 40 GLN C C 13 177.671 . . 1 . . 152 . A 40 GLN C . 36352 1 507 . 1 . 1 40 40 GLN CA C 13 59.019 0.012 . 1 . . 226 . A 40 GLN CA . 36352 1 508 . 1 . 1 40 40 GLN CB C 13 28.103 0.045 . 1 . . 240 . A 40 GLN CB . 36352 1 509 . 1 . 1 40 40 GLN CG C 13 33.468 0.02 . 1 . . 423 . A 40 GLN CG . 36352 1 510 . 1 . 1 40 40 GLN N N 15 122.109 0.063 . 1 . . 100 . A 40 GLN N . 36352 1 511 . 1 . 1 40 40 GLN NE2 N 15 112.348 0.066 . 1 . . 249 . A 40 GLN NE2 . 36352 1 512 . 1 . 1 41 41 LEU HA H 1 4.014 0.001 . 1 . . 364 . A 41 LEU HA . 36352 1 513 . 1 . 1 41 41 LEU HB3 H 1 1.994 0.001 . 2 . . 366 . A 41 LEU HB3 . 36352 1 514 . 1 . 1 41 41 LEU HB2 H 1 1.195 0.0 . 2 . . 365 . A 41 LEU HB2 . 36352 1 515 . 1 . 1 41 41 LEU HG H 1 1.758 0.004 . 1 . . 495 . A 41 LEU HG . 36352 1 516 . 1 . 1 41 41 LEU HD11 H 1 0.877 0.001 . 2 . . 497 . A 41 LEU HD11 . 36352 1 517 . 1 . 1 41 41 LEU HD12 H 1 0.877 0.001 . 2 . . 497 . A 41 LEU HD12 . 36352 1 518 . 1 . 1 41 41 LEU HD13 H 1 0.877 0.001 . 2 . . 497 . A 41 LEU HD13 . 36352 1 519 . 1 . 1 41 41 LEU HD21 H 1 0.819 0.003 . 2 . . 499 . A 41 LEU HD21 . 36352 1 520 . 1 . 1 41 41 LEU HD22 H 1 0.819 0.003 . 2 . . 499 . A 41 LEU HD22 . 36352 1 521 . 1 . 1 41 41 LEU HD23 H 1 0.819 0.003 . 2 . . 499 . A 41 LEU HD23 . 36352 1 522 . 1 . 1 41 41 LEU H H 1 8.000 0.001 . 1 . . 39 . A 41 LEU H . 36352 1 523 . 1 . 1 41 41 LEU C C 13 179.767 . . 1 . . 272 . A 41 LEU C . 36352 1 524 . 1 . 1 41 41 LEU CA C 13 58.029 0.038 . 1 . . 154 . A 41 LEU CA . 36352 1 525 . 1 . 1 41 41 LEU CB C 13 42.568 0.04 . 1 . . 153 . A 41 LEU CB . 36352 1 526 . 1 . 1 41 41 LEU CG C 13 27.302 0.017 . 1 . . 496 . A 41 LEU CG . 36352 1 527 . 1 . 1 41 41 LEU CD1 C 13 23.625 0.04 . 2 . . 498 . A 41 LEU CD1 . 36352 1 528 . 1 . 1 41 41 LEU CD2 C 13 26.186 0.003 . 2 . . 500 . A 41 LEU CD2 . 36352 1 529 . 1 . 1 41 41 LEU N N 15 119.538 0.091 . 1 . . 40 . A 41 LEU N . 36352 1 530 . 1 . 1 42 42 ILE HA H 1 4.410 0.001 . 1 . . 367 . A 42 ILE HA . 36352 1 531 . 1 . 1 42 42 ILE HB H 1 1.863 0.002 . 1 . . 368 . A 42 ILE HB . 36352 1 532 . 1 . 1 42 42 ILE HG13 H 1 0.815 0.005 . 2 . . 676 . A 42 ILE HG13 . 36352 1 533 . 1 . 1 42 42 ILE HG12 H 1 1.642 0.007 . 2 . . 466 . A 42 ILE HG12 . 36352 1 534 . 1 . 1 42 42 ILE HG21 H 1 0.977 0.001 . 1 . . 467 . A 42 ILE HG21 . 36352 1 535 . 1 . 1 42 42 ILE HG22 H 1 0.977 0.001 . 1 . . 467 . A 42 ILE HG22 . 36352 1 536 . 1 . 1 42 42 ILE HG23 H 1 0.977 0.001 . 1 . . 467 . A 42 ILE HG23 . 36352 1 537 . 1 . 1 42 42 ILE HD11 H 1 0.831 0.001 . 1 . . 469 . A 42 ILE HD11 . 36352 1 538 . 1 . 1 42 42 ILE HD12 H 1 0.831 0.001 . 1 . . 469 . A 42 ILE HD12 . 36352 1 539 . 1 . 1 42 42 ILE HD13 H 1 0.831 0.001 . 1 . . 469 . A 42 ILE HD13 . 36352 1 540 . 1 . 1 42 42 ILE H H 1 8.243 0.002 . 1 . . 73 . A 42 ILE H . 36352 1 541 . 1 . 1 42 42 ILE C C 13 180.900 . . 1 . . 273 . A 42 ILE C . 36352 1 542 . 1 . 1 42 42 ILE CA C 13 64.302 0.046 . 1 . . 193 . A 42 ILE CA . 36352 1 543 . 1 . 1 42 42 ILE CB C 13 38.492 0.06 . 1 . . 239 . A 42 ILE CB . 36352 1 544 . 1 . 1 42 42 ILE CG1 C 13 29.165 0.037 . 1 . . 465 . A 42 ILE CG1 . 36352 1 545 . 1 . 1 42 42 ILE CG2 C 13 16.769 0.015 . 1 . . 468 . A 42 ILE CG2 . 36352 1 546 . 1 . 1 42 42 ILE CD1 C 13 13.959 0.004 . 1 . . 470 . A 42 ILE CD1 . 36352 1 547 . 1 . 1 42 42 ILE N N 15 121.564 0.052 . 1 . . 74 . A 42 ILE N . 36352 1 548 . 1 . 1 43 43 LYS HA H 1 4.078 0.002 . 1 . . 369 . A 43 LYS HA . 36352 1 549 . 1 . 1 43 43 LYS HB3 H 1 2.015 . . 2 . . 637 . A 43 LYS HB3 . 36352 1 550 . 1 . 1 43 43 LYS HB2 H 1 2.015 0.001 . 2 . . 370 . A 43 LYS HB2 . 36352 1 551 . 1 . 1 43 43 LYS HG3 H 1 1.491 0.003 . 2 . . 632 . A 43 LYS HG3 . 36352 1 552 . 1 . 1 43 43 LYS HG2 H 1 1.590 0.006 . 2 . . 630 . A 43 LYS HG2 . 36352 1 553 . 1 . 1 43 43 LYS HD3 H 1 1.689 0.004 . 1 . . 634 . A 43 LYS HD3 . 36352 1 554 . 1 . 1 43 43 LYS HD2 H 1 1.689 0.004 . 1 . . 633 . A 43 LYS HD2 . 36352 1 555 . 1 . 1 43 43 LYS HE3 H 1 2.970 0.001 . 2 . . 629 . A 43 LYS HE3 . 36352 1 556 . 1 . 1 43 43 LYS HE2 H 1 2.969 0.001 . 2 . . 628 . A 43 LYS HE2 . 36352 1 557 . 1 . 1 43 43 LYS H H 1 7.991 0.001 . 1 . . 75 . A 43 LYS H . 36352 1 558 . 1 . 1 43 43 LYS C C 13 178.557 . . 1 . . 157 . A 43 LYS C . 36352 1 559 . 1 . 1 43 43 LYS CA C 13 59.626 0.052 . 1 . . 238 . A 43 LYS CA . 36352 1 560 . 1 . 1 43 43 LYS CB C 13 32.095 0.041 . 1 . . 237 . A 43 LYS CB . 36352 1 561 . 1 . 1 43 43 LYS CG C 13 25.236 0.029 . 1 . . 631 . A 43 LYS CG . 36352 1 562 . 1 . 1 43 43 LYS CD C 13 29.379 0.032 . 1 . . 635 . A 43 LYS CD . 36352 1 563 . 1 . 1 43 43 LYS CE C 13 42.081 0.003 . 1 . . 636 . A 43 LYS CE . 36352 1 564 . 1 . 1 43 43 LYS N N 15 124.685 0.063 . 1 . . 76 . A 43 LYS N . 36352 1 565 . 1 . 1 44 44 GLU HA H 1 4.143 0.003 . 1 . . 372 . A 44 GLU HA . 36352 1 566 . 1 . 1 44 44 GLU HB3 H 1 1.987 . . 2 . . 373 . A 44 GLU HB3 . 36352 1 567 . 1 . 1 44 44 GLU HB2 H 1 2.179 0.001 . 2 . . 371 . A 44 GLU HB2 . 36352 1 568 . 1 . 1 44 44 GLU HG3 H 1 2.270 0.005 . 2 . . 430 . A 44 GLU HG3 . 36352 1 569 . 1 . 1 44 44 GLU HG2 H 1 2.546 0.005 . 2 . . 428 . A 44 GLU HG2 . 36352 1 570 . 1 . 1 44 44 GLU H H 1 7.931 0.001 . 1 . . 45 . A 44 GLU H . 36352 1 571 . 1 . 1 44 44 GLU C C 13 175.439 . . 1 . . 269 . A 44 GLU C . 36352 1 572 . 1 . 1 44 44 GLU CA C 13 56.314 0.049 . 1 . . 159 . A 44 GLU CA . 36352 1 573 . 1 . 1 44 44 GLU CB C 13 30.042 0.056 . 1 . . 158 . A 44 GLU CB . 36352 1 574 . 1 . 1 44 44 GLU CG C 13 36.308 0.019 . 1 . . 429 . A 44 GLU CG . 36352 1 575 . 1 . 1 44 44 GLU N N 15 116.104 0.065 . 1 . . 46 . A 44 GLU N . 36352 1 576 . 1 . 1 45 45 ASN HA H 1 4.371 0.002 . 1 . . 374 . A 45 ASN HA . 36352 1 577 . 1 . 1 45 45 ASN HB3 H 1 2.813 0.002 . 2 . . 376 . A 45 ASN HB3 . 36352 1 578 . 1 . 1 45 45 ASN HB2 H 1 3.054 0.004 . 2 . . 375 . A 45 ASN HB2 . 36352 1 579 . 1 . 1 45 45 ASN HD21 H 1 6.765 0.001 . 1 . . 245 . A 45 ASN HD21 . 36352 1 580 . 1 . 1 45 45 ASN HD22 H 1 7.433 0.001 . 1 . . 247 . A 45 ASN HD22 . 36352 1 581 . 1 . 1 45 45 ASN H H 1 8.215 0.001 . 1 . . 49 . A 45 ASN H . 36352 1 582 . 1 . 1 45 45 ASN C C 13 173.829 . . 1 . . 115 . A 45 ASN C . 36352 1 583 . 1 . 1 45 45 ASN CA C 13 54.729 0.013 . 1 . . 163 . A 45 ASN CA . 36352 1 584 . 1 . 1 45 45 ASN CB C 13 37.097 0.045 . 1 . . 162 . A 45 ASN CB . 36352 1 585 . 1 . 1 45 45 ASN N N 15 114.962 0.063 . 1 . . 50 . A 45 ASN N . 36352 1 586 . 1 . 1 45 45 ASN ND2 N 15 111.590 0.07 . 1 . . 246 . A 45 ASN ND2 . 36352 1 587 . 1 . 1 46 46 LYS HA H 1 4.334 0.003 . 1 . . 379 . A 46 LYS HA . 36352 1 588 . 1 . 1 46 46 LYS HB3 H 1 1.742 0.007 . 2 . . 378 . A 46 LYS HB3 . 36352 1 589 . 1 . 1 46 46 LYS HB2 H 1 1.615 0.013 . 2 . . 377 . A 46 LYS HB2 . 36352 1 590 . 1 . 1 46 46 LYS HG3 H 1 1.282 0.0 . 2 . . 640 . A 46 LYS HG3 . 36352 1 591 . 1 . 1 46 46 LYS HG2 H 1 1.427 0.005 . 2 . . 638 . A 46 LYS HG2 . 36352 1 592 . 1 . 1 46 46 LYS HD3 H 1 1.679 0.004 . 1 . . 642 . A 46 LYS HD3 . 36352 1 593 . 1 . 1 46 46 LYS HD2 H 1 1.679 0.004 . 1 . . 641 . A 46 LYS HD2 . 36352 1 594 . 1 . 1 46 46 LYS HE3 H 1 2.923 0.0 . 2 . . 646 . A 46 LYS HE3 . 36352 1 595 . 1 . 1 46 46 LYS HE2 H 1 2.983 0.0 . 2 . . 644 . A 46 LYS HE2 . 36352 1 596 . 1 . 1 46 46 LYS H H 1 8.031 0.002 . 1 . . 11 . A 46 LYS H . 36352 1 597 . 1 . 1 46 46 LYS C C 13 175.568 . . 1 . . 261 . A 46 LYS C . 36352 1 598 . 1 . 1 46 46 LYS CA C 13 56.831 0.012 . 1 . . 117 . A 46 LYS CA . 36352 1 599 . 1 . 1 46 46 LYS CB C 13 35.529 0.037 . 1 . . 116 . A 46 LYS CB . 36352 1 600 . 1 . 1 46 46 LYS CG C 13 25.941 0.024 . 1 . . 639 . A 46 LYS CG . 36352 1 601 . 1 . 1 46 46 LYS CD C 13 29.576 0.0 . 1 . . 643 . A 46 LYS CD . 36352 1 602 . 1 . 1 46 46 LYS CE C 13 42.315 0.006 . 1 . . 645 . A 46 LYS CE . 36352 1 603 . 1 . 1 46 46 LYS N N 15 113.053 0.051 . 1 . . 12 . A 46 LYS N . 36352 1 604 . 1 . 1 47 47 VAL HA H 1 4.671 0.002 . 1 . . 380 . A 47 VAL HA . 36352 1 605 . 1 . 1 47 47 VAL HB H 1 1.381 0.006 . 1 . . 381 . A 47 VAL HB . 36352 1 606 . 1 . 1 47 47 VAL HG11 H 1 1.005 0.002 . 2 . . 550 . A 47 VAL HG11 . 36352 1 607 . 1 . 1 47 47 VAL HG12 H 1 1.005 0.002 . 2 . . 550 . A 47 VAL HG12 . 36352 1 608 . 1 . 1 47 47 VAL HG13 H 1 1.005 0.002 . 2 . . 550 . A 47 VAL HG13 . 36352 1 609 . 1 . 1 47 47 VAL HG21 H 1 0.810 0.002 . 2 . . 551 . A 47 VAL HG21 . 36352 1 610 . 1 . 1 47 47 VAL HG22 H 1 0.810 0.002 . 2 . . 551 . A 47 VAL HG22 . 36352 1 611 . 1 . 1 47 47 VAL HG23 H 1 0.810 0.002 . 2 . . 551 . A 47 VAL HG23 . 36352 1 612 . 1 . 1 47 47 VAL H H 1 6.785 0.001 . 1 . . 19 . A 47 VAL H . 36352 1 613 . 1 . 1 47 47 VAL C C 13 173.661 . . 1 . . 270 . A 47 VAL C . 36352 1 614 . 1 . 1 47 47 VAL CA C 13 58.923 0.056 . 1 . . 129 . A 47 VAL CA . 36352 1 615 . 1 . 1 47 47 VAL CB C 13 36.628 0.046 . 1 . . 128 . A 47 VAL CB . 36352 1 616 . 1 . 1 47 47 VAL CG1 C 13 22.357 0.033 . 2 . . 549 . A 47 VAL CG1 . 36352 1 617 . 1 . 1 47 47 VAL CG2 C 13 23.746 0.002 . 2 . . 552 . A 47 VAL CG2 . 36352 1 618 . 1 . 1 47 47 VAL N N 15 117.316 0.08 . 1 . . 20 . A 47 VAL N . 36352 1 619 . 1 . 1 48 48 GLY HA3 H 1 2.823 0.001 . 2 . . 383 . A 48 GLY HA3 . 36352 1 620 . 1 . 1 48 48 GLY HA2 H 1 4.474 0.003 . 2 . . 382 . A 48 GLY HA2 . 36352 1 621 . 1 . 1 48 48 GLY H H 1 8.431 0.002 . 1 . . 55 . A 48 GLY H . 36352 1 622 . 1 . 1 48 48 GLY C C 13 171.186 . . 1 . . 170 . A 48 GLY C . 36352 1 623 . 1 . 1 48 48 GLY CA C 13 42.852 0.029 . 1 . . 169 . A 48 GLY CA . 36352 1 624 . 1 . 1 48 48 GLY N N 15 112.866 0.076 . 1 . . 56 . A 48 GLY N . 36352 1 625 . 1 . 1 49 49 ARG HA H 1 5.084 0.002 . 1 . . 386 . A 49 ARG HA . 36352 1 626 . 1 . 1 49 49 ARG HB3 H 1 1.485 0.004 . 2 . . 385 . A 49 ARG HB3 . 36352 1 627 . 1 . 1 49 49 ARG HB2 H 1 1.697 0.002 . 2 . . 384 . A 49 ARG HB2 . 36352 1 628 . 1 . 1 49 49 ARG HG3 H 1 1.127 0.0 . 2 . . 561 . A 49 ARG HG3 . 36352 1 629 . 1 . 1 49 49 ARG HG2 H 1 1.318 0.005 . 2 . . 559 . A 49 ARG HG2 . 36352 1 630 . 1 . 1 49 49 ARG HD3 H 1 3.097 0.002 . 1 . . 564 . A 49 ARG HD3 . 36352 1 631 . 1 . 1 49 49 ARG HD2 H 1 3.097 0.002 . 1 . . 562 . A 49 ARG HD2 . 36352 1 632 . 1 . 1 49 49 ARG H H 1 8.394 0.002 . 1 . . 53 . A 49 ARG H . 36352 1 633 . 1 . 1 49 49 ARG C C 13 176.015 . . 1 . . 143 . A 49 ARG C . 36352 1 634 . 1 . 1 49 49 ARG CA C 13 54.543 0.046 . 1 . . 142 . A 49 ARG CA . 36352 1 635 . 1 . 1 49 49 ARG CB C 13 33.952 0.032 . 1 . . 144 . A 49 ARG CB . 36352 1 636 . 1 . 1 49 49 ARG CG C 13 27.023 0.013 . 1 . . 560 . A 49 ARG CG . 36352 1 637 . 1 . 1 49 49 ARG CD C 13 43.739 0.015 . 1 . . 563 . A 49 ARG CD . 36352 1 638 . 1 . 1 49 49 ARG N N 15 117.771 0.062 . 1 . . 54 . A 49 ARG N . 36352 1 639 . 1 . 1 50 50 ARG HA H 1 4.544 0.001 . 1 . . 567 . A 50 ARG HA . 36352 1 640 . 1 . 1 50 50 ARG HB3 H 1 1.900 0.002 . 2 . . 566 . A 50 ARG HB3 . 36352 1 641 . 1 . 1 50 50 ARG HB2 H 1 1.788 0.003 . 2 . . 565 . A 50 ARG HB2 . 36352 1 642 . 1 . 1 50 50 ARG HG3 H 1 1.586 . . 2 . . 570 . A 50 ARG HG3 . 36352 1 643 . 1 . 1 50 50 ARG HG2 H 1 1.663 . . 2 . . 568 . A 50 ARG HG2 . 36352 1 644 . 1 . 1 50 50 ARG HD3 H 1 3.061 . . 2 . . 573 . A 50 ARG HD3 . 36352 1 645 . 1 . 1 50 50 ARG HD2 H 1 3.083 0.0 . 2 . . 571 . A 50 ARG HD2 . 36352 1 646 . 1 . 1 50 50 ARG H H 1 9.075 0.002 . 1 . . 33 . A 50 ARG H . 36352 1 647 . 1 . 1 50 50 ARG CA C 13 55.429 0.122 . 1 . . 146 . A 50 ARG CA . 36352 1 648 . 1 . 1 50 50 ARG CB C 13 31.962 0.018 . 1 . . 145 . A 50 ARG CB . 36352 1 649 . 1 . 1 50 50 ARG CG C 13 26.969 0.012 . 1 . . 569 . A 50 ARG CG . 36352 1 650 . 1 . 1 50 50 ARG CD C 13 43.479 0.023 . 1 . . 572 . A 50 ARG CD . 36352 1 651 . 1 . 1 50 50 ARG N N 15 127.837 0.047 . 1 . . 34 . A 50 ARG N . 36352 1 652 . 1 . 1 51 51 GLY HA3 H 1 3.628 0.001 . 2 . . 388 . A 51 GLY HA3 . 36352 1 653 . 1 . 1 51 51 GLY HA2 H 1 4.072 0.008 . 2 . . 387 . A 51 GLY HA2 . 36352 1 654 . 1 . 1 51 51 GLY C C 13 175.103 . . 1 . . 279 . A 51 GLY C . 36352 1 655 . 1 . 1 51 51 GLY CA C 13 47.017 0.026 . 1 . . 278 . A 51 GLY CA . 36352 1 656 . 1 . 1 52 52 ARG HA H 1 4.202 0.0 . 1 . . 389 . A 52 ARG HA . 36352 1 657 . 1 . 1 52 52 ARG HB3 H 1 1.593 . . 2 . . 574 . A 52 ARG HB3 . 36352 1 658 . 1 . 1 52 52 ARG HB2 H 1 1.687 . . 2 . . 390 . A 52 ARG HB2 . 36352 1 659 . 1 . 1 52 52 ARG HG3 H 1 1.111 0.006 . 2 . . 577 . A 52 ARG HG3 . 36352 1 660 . 1 . 1 52 52 ARG HG2 H 1 1.447 0.001 . 2 . . 575 . A 52 ARG HG2 . 36352 1 661 . 1 . 1 52 52 ARG HD3 H 1 3.110 0.001 . 2 . . 579 . A 52 ARG HD3 . 36352 1 662 . 1 . 1 52 52 ARG HD2 H 1 3.110 0.001 . 2 . . 578 . A 52 ARG HD2 . 36352 1 663 . 1 . 1 52 52 ARG H H 1 8.728 0.004 . 1 . . 276 . A 52 ARG H . 36352 1 664 . 1 . 1 52 52 ARG C C 13 174.244 . . 1 . . 190 . A 52 ARG C . 36352 1 665 . 1 . 1 52 52 ARG CA C 13 56.026 0.038 . 1 . . 189 . A 52 ARG CA . 36352 1 666 . 1 . 1 52 52 ARG CB C 13 30.229 0.004 . 1 . . 188 . A 52 ARG CB . 36352 1 667 . 1 . 1 52 52 ARG CG C 13 26.738 0.039 . 1 . . 576 . A 52 ARG CG . 36352 1 668 . 1 . 1 52 52 ARG CD C 13 43.502 0.02 . 1 . . 580 . A 52 ARG CD . 36352 1 669 . 1 . 1 52 52 ARG N N 15 126.689 0.068 . 1 . . 277 . A 52 ARG N . 36352 1 670 . 1 . 1 53 53 TYR HA H 1 4.789 0.002 . 1 . . 391 . A 53 TYR HA . 36352 1 671 . 1 . 1 53 53 TYR HB3 H 1 2.768 0.0 . 2 . . 393 . A 53 TYR HB3 . 36352 1 672 . 1 . 1 53 53 TYR HB2 H 1 2.935 0.001 . 2 . . 392 . A 53 TYR HB2 . 36352 1 673 . 1 . 1 53 53 TYR HD1 H 1 6.964 . . 1 . . 683 . A 53 TYR HD1 . 36352 1 674 . 1 . 1 53 53 TYR HD2 H 1 6.964 . . 1 . . 683 . A 53 TYR HD2 . 36352 1 675 . 1 . 1 53 53 TYR HE1 H 1 6.798 . . 1 . . 691 . A 53 TYR HE1 . 36352 1 676 . 1 . 1 53 53 TYR HE2 H 1 6.798 . . 1 . . 691 . A 53 TYR HE2 . 36352 1 677 . 1 . 1 53 53 TYR H H 1 7.943 0.003 . 1 . . 71 . A 53 TYR H . 36352 1 678 . 1 . 1 53 53 TYR C C 13 174.514 . . 1 . . 266 . A 53 TYR C . 36352 1 679 . 1 . 1 53 53 TYR CA C 13 57.538 0.008 . 1 . . 192 . A 53 TYR CA . 36352 1 680 . 1 . 1 53 53 TYR CB C 13 41.271 0.053 . 1 . . 191 . A 53 TYR CB . 36352 1 681 . 1 . 1 53 53 TYR N N 15 117.719 0.058 . 1 . . 72 . A 53 TYR N . 36352 1 682 . 1 . 1 54 54 PHE HA H 1 5.501 0.002 . 1 . . 394 . A 54 PHE HA . 36352 1 683 . 1 . 1 54 54 PHE HB3 H 1 2.869 0.001 . 2 . . 503 . A 54 PHE HB3 . 36352 1 684 . 1 . 1 54 54 PHE HB2 H 1 2.770 0.0 . 2 . . 502 . A 54 PHE HB2 . 36352 1 685 . 1 . 1 54 54 PHE HD1 H 1 7.162 . . 1 . . 694 . A 54 PHE HD1 . 36352 1 686 . 1 . 1 54 54 PHE HD2 H 1 7.162 . . 1 . . 694 . A 54 PHE HD2 . 36352 1 687 . 1 . 1 54 54 PHE HE1 H 1 7.247 . . 1 . . 693 . A 54 PHE HE1 . 36352 1 688 . 1 . 1 54 54 PHE HE2 H 1 7.247 . . 1 . . 693 . A 54 PHE HE2 . 36352 1 689 . 1 . 1 54 54 PHE H H 1 9.423 0.003 . 1 . . 41 . A 54 PHE H . 36352 1 690 . 1 . 1 54 54 PHE C C 13 174.594 . . 1 . . 174 . A 54 PHE C . 36352 1 691 . 1 . 1 54 54 PHE CA C 13 56.642 0.061 . 1 . . 156 . A 54 PHE CA . 36352 1 692 . 1 . 1 54 54 PHE CB C 13 41.178 0.06 . 1 . . 155 . A 54 PHE CB . 36352 1 693 . 1 . 1 54 54 PHE N N 15 120.175 0.091 . 1 . . 42 . A 54 PHE N . 36352 1 694 . 1 . 1 55 55 TYR HA H 1 5.509 0.002 . 1 . . 397 . A 55 TYR HA . 36352 1 695 . 1 . 1 55 55 TYR HB3 H 1 2.795 0.008 . 2 . . 396 . A 55 TYR HB3 . 36352 1 696 . 1 . 1 55 55 TYR HB2 H 1 2.404 0.004 . 2 . . 395 . A 55 TYR HB2 . 36352 1 697 . 1 . 1 55 55 TYR HD1 H 1 6.691 . . 1 . . 684 . A 55 TYR HD1 . 36352 1 698 . 1 . 1 55 55 TYR HD2 H 1 6.691 . . 1 . . 684 . A 55 TYR HD2 . 36352 1 699 . 1 . 1 55 55 TYR HE1 H 1 6.537 . . 1 . . 695 . A 55 TYR HE1 . 36352 1 700 . 1 . 1 55 55 TYR HE2 H 1 6.537 . . 1 . . 695 . A 55 TYR HE2 . 36352 1 701 . 1 . 1 55 55 TYR H H 1 8.488 0.001 . 1 . . 59 . A 55 TYR H . 36352 1 702 . 1 . 1 55 55 TYR C C 13 173.370 . . 1 . . 133 . A 55 TYR C . 36352 1 703 . 1 . 1 55 55 TYR CA C 13 54.768 0.058 . 1 . . 176 . A 55 TYR CA . 36352 1 704 . 1 . 1 55 55 TYR CB C 13 41.476 0.03 . 1 . . 175 . A 55 TYR CB . 36352 1 705 . 1 . 1 55 55 TYR N N 15 117.035 0.058 . 1 . . 60 . A 55 TYR N . 36352 1 706 . 1 . 1 56 56 TYR HA H 1 4.482 0.002 . 1 . . 400 . A 56 TYR HA . 36352 1 707 . 1 . 1 56 56 TYR HB3 H 1 2.846 0.003 . 2 . . 399 . A 56 TYR HB3 . 36352 1 708 . 1 . 1 56 56 TYR HB2 H 1 3.037 0.004 . 2 . . 398 . A 56 TYR HB2 . 36352 1 709 . 1 . 1 56 56 TYR HD1 H 1 6.931 . . 1 . . 681 . A 56 TYR HD1 . 36352 1 710 . 1 . 1 56 56 TYR HD2 H 1 6.931 . . 1 . . 681 . A 56 TYR HD2 . 36352 1 711 . 1 . 1 56 56 TYR HE1 H 1 6.837 . . 1 . . 689 . A 56 TYR HE1 . 36352 1 712 . 1 . 1 56 56 TYR HE2 H 1 6.837 . . 1 . . 689 . A 56 TYR HE2 . 36352 1 713 . 1 . 1 56 56 TYR H H 1 8.804 0.001 . 1 . . 25 . A 56 TYR H . 36352 1 714 . 1 . 1 56 56 TYR C C 13 175.270 . . 1 . . 185 . A 56 TYR C . 36352 1 715 . 1 . 1 56 56 TYR CA C 13 58.444 0.012 . 1 . . 135 . A 56 TYR CA . 36352 1 716 . 1 . 1 56 56 TYR CB C 13 40.086 0.048 . 1 . . 134 . A 56 TYR CB . 36352 1 717 . 1 . 1 56 56 TYR N N 15 123.320 0.074 . 1 . . 26 . A 56 TYR N . 36352 1 718 . 1 . 1 57 57 ILE HA H 1 3.860 0.001 . 1 . . 401 . A 57 ILE HA . 36352 1 719 . 1 . 1 57 57 ILE HB H 1 1.351 0.0 . 1 . . 402 . A 57 ILE HB . 36352 1 720 . 1 . 1 57 57 ILE HG13 H 1 0.718 0.0 . 2 . . 473 . A 57 ILE HG13 . 36352 1 721 . 1 . 1 57 57 ILE HG12 H 1 0.970 0.002 . 2 . . 471 . A 57 ILE HG12 . 36352 1 722 . 1 . 1 57 57 ILE HG21 H 1 0.730 0.001 . 1 . . 475 . A 57 ILE HG21 . 36352 1 723 . 1 . 1 57 57 ILE HG22 H 1 0.730 0.001 . 1 . . 475 . A 57 ILE HG22 . 36352 1 724 . 1 . 1 57 57 ILE HG23 H 1 0.730 0.001 . 1 . . 475 . A 57 ILE HG23 . 36352 1 725 . 1 . 1 57 57 ILE HD11 H 1 0.370 0.002 . 1 . . 476 . A 57 ILE HD11 . 36352 1 726 . 1 . 1 57 57 ILE HD12 H 1 0.370 0.002 . 1 . . 476 . A 57 ILE HD12 . 36352 1 727 . 1 . 1 57 57 ILE HD13 H 1 0.370 0.002 . 1 . . 476 . A 57 ILE HD13 . 36352 1 728 . 1 . 1 57 57 ILE H H 1 7.416 0.003 . 1 . . 69 . A 57 ILE H . 36352 1 729 . 1 . 1 57 57 ILE C C 13 174.637 . . 1 . . 149 . A 57 ILE C . 36352 1 730 . 1 . 1 57 57 ILE CA C 13 61.969 0.028 . 1 . . 187 . A 57 ILE CA . 36352 1 731 . 1 . 1 57 57 ILE CB C 13 37.011 0.028 . 1 . . 186 . A 57 ILE CB . 36352 1 732 . 1 . 1 57 57 ILE CG1 C 13 28.072 0.015 . 1 . . 472 . A 57 ILE CG1 . 36352 1 733 . 1 . 1 57 57 ILE CG2 C 13 17.025 0.012 . 1 . . 474 . A 57 ILE CG2 . 36352 1 734 . 1 . 1 57 57 ILE CD1 C 13 12.514 0.014 . 1 . . 477 . A 57 ILE CD1 . 36352 1 735 . 1 . 1 57 57 ILE N N 15 128.643 0.049 . 1 . . 70 . A 57 ILE N . 36352 1 736 . 1 . 1 58 58 LYS HA H 1 4.291 0.001 . 1 . . 404 . A 58 LYS HA . 36352 1 737 . 1 . 1 58 58 LYS HB3 H 1 1.901 0.013 . 2 . . 405 . A 58 LYS HB3 . 36352 1 738 . 1 . 1 58 58 LYS HB2 H 1 1.798 0.014 . 2 . . 403 . A 58 LYS HB2 . 36352 1 739 . 1 . 1 58 58 LYS HG3 H 1 1.620 . . 2 . . 649 . A 58 LYS HG3 . 36352 1 740 . 1 . 1 58 58 LYS HG2 H 1 1.540 . . 2 . . 647 . A 58 LYS HG2 . 36352 1 741 . 1 . 1 58 58 LYS HD3 H 1 1.799 0.001 . 2 . . 651 . A 58 LYS HD3 . 36352 1 742 . 1 . 1 58 58 LYS HD2 H 1 1.799 0.001 . 2 . . 650 . A 58 LYS HD2 . 36352 1 743 . 1 . 1 58 58 LYS HE3 H 1 3.103 . . 1 . . 654 . A 58 LYS HE3 . 36352 1 744 . 1 . 1 58 58 LYS HE2 H 1 3.103 . . 1 . . 653 . A 58 LYS HE2 . 36352 1 745 . 1 . 1 58 58 LYS H H 1 8.111 0.001 . 1 . . 37 . A 58 LYS H . 36352 1 746 . 1 . 1 58 58 LYS C C 13 175.522 . . 1 . . 268 . A 58 LYS C . 36352 1 747 . 1 . 1 58 58 LYS CA C 13 56.611 0.01 . 1 . . 151 . A 58 LYS CA . 36352 1 748 . 1 . 1 58 58 LYS CB C 13 32.997 0.045 . 1 . . 150 . A 58 LYS CB . 36352 1 749 . 1 . 1 58 58 LYS CG C 13 25.115 0.005 . 1 . . 648 . A 58 LYS CG . 36352 1 750 . 1 . 1 58 58 LYS CD C 13 29.418 0.012 . 1 . . 652 . A 58 LYS CD . 36352 1 751 . 1 . 1 58 58 LYS CE C 13 42.205 0.0 . 1 . . 655 . A 58 LYS CE . 36352 1 752 . 1 . 1 58 58 LYS N N 15 127.539 0.071 . 1 . . 38 . A 58 LYS N . 36352 1 753 . 1 . 1 59 59 ARG HA H 1 4.239 . . 1 . . 581 . A 59 ARG HA . 36352 1 754 . 1 . 1 59 59 ARG HB3 H 1 1.738 0.002 . 2 . . 583 . A 59 ARG HB3 . 36352 1 755 . 1 . 1 59 59 ARG HB2 H 1 1.870 0.003 . 2 . . 582 . A 59 ARG HB2 . 36352 1 756 . 1 . 1 59 59 ARG HG3 H 1 1.616 0.001 . 2 . . 585 . A 59 ARG HG3 . 36352 1 757 . 1 . 1 59 59 ARG HG2 H 1 1.616 0.001 . 2 . . 584 . A 59 ARG HG2 . 36352 1 758 . 1 . 1 59 59 ARG HD3 H 1 3.213 0.001 . 1 . . 589 . A 59 ARG HD3 . 36352 1 759 . 1 . 1 59 59 ARG HD2 H 1 3.213 0.001 . 1 . . 587 . A 59 ARG HD2 . 36352 1 760 . 1 . 1 59 59 ARG H H 1 8.085 0.001 . 1 . . 47 . A 59 ARG H . 36352 1 761 . 1 . 1 59 59 ARG CA C 13 57.231 0.088 . 1 . . 161 . A 59 ARG CA . 36352 1 762 . 1 . 1 59 59 ARG CB C 13 31.712 0.033 . 1 . . 160 . A 59 ARG CB . 36352 1 763 . 1 . 1 59 59 ARG CG C 13 27.273 0.024 . 1 . . 586 . A 59 ARG CG . 36352 1 764 . 1 . 1 59 59 ARG CD C 13 43.477 0.039 . 1 . . 588 . A 59 ARG CD . 36352 1 765 . 1 . 1 59 59 ARG N N 15 129.075 0.06 . 1 . . 48 . A 59 ARG N . 36352 1 stop_ save_