################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18841 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $PaaA2_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $PaaA2 isotropic 18841 1 1 '2D 1H-15N HSQC/HMQC' 1 $PaaA2 isotropic 18841 1 2 '3D HNCO' 1 $PaaA2 isotropic 18841 1 4 '2D 1H-13C HSQC/HMQC' 1 $PaaA2 isotropic 18841 1 4 '2D 1H-13C HSQC/HMQC' 1 $PaaA2 isotropic 18841 1 6 '3D HNCACB' 1 $PaaA2 isotropic 18841 1 7 'cbcaconh (H[N[co[{CA|ca[C]}]]])' 1 $PaaA2 isotropic 18841 1 8 'cconh (H[N[co[{CA|ca[C]}]]])' 1 $PaaA2 isotropic 18841 1 9 'hbhaconh (H[N[ca[HA]]])' 1 $PaaA2 isotropic 18841 1 10 'hbcbcgcdhd (hbCBcgcdceHE)' 1 $PaaA2 isotropic 18841 1 11 'hbcbcgcdcehe (hbCBcgcdceHE)' 1 $PaaA2 isotropic 18841 1 12 '2D 1H-1H NOESY' 1 $PaaA2 isotropic 18841 1 13 '3D 1H-15N NOESY' 1 $PaaA2 isotropic 18841 1 14 '3D 1H-13C NOESY' 1 $PaaA2 isotropic 18841 1 15 '3D HCCH-TOCSY' 1 $PaaA2 isotropic 18841 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 4.015 0.008 . 1 . . 792 . . 1 MET HA . 18841 1 2 . 1 1 1 1 MET HB2 H 1 2.047 0.008 . 1 . . 794 . . 1 MET HB2 . 18841 1 3 . 1 1 1 1 MET HB3 H 1 2.047 0.008 . 1 . . 795 . . 1 MET HB3 . 18841 1 4 . 1 1 1 1 MET HG2 H 1 2.421 0.008 . 2 . . 790 . . 1 MET HG2 . 18841 1 5 . 1 1 1 1 MET HG3 H 1 2.506 0.008 . 2 . . 789 . . 1 MET HG3 . 18841 1 6 . 1 1 1 1 MET CA C 13 55.181 0.04 . 1 . . 791 . . 1 MET CA . 18841 1 7 . 1 1 1 1 MET CB C 13 33.353 0.04 . 1 . . 793 . . 1 MET CB . 18841 1 8 . 1 1 1 1 MET CG C 13 31.054 0.04 . 1 . . 788 . . 1 MET CG . 18841 1 9 . 1 1 2 2 ASP HA H 1 4.677 0.008 . 1 . . 264 . . 2 ASP HA . 18841 1 10 . 1 1 2 2 ASP HB2 H 1 2.538 0.008 . 2 . . 266 . . 2 ASP HB2 . 18841 1 11 . 1 1 2 2 ASP HB3 H 1 2.657 0.008 . 2 . . 265 . . 2 ASP HB3 . 18841 1 12 . 1 1 2 2 ASP C C 13 175.304 0.04 . 1 . . 270 . . 2 ASP C . 18841 1 13 . 1 1 2 2 ASP CA C 13 54.131 0.04 . 1 . . 263 . . 2 ASP CA . 18841 1 14 . 1 1 2 2 ASP CB C 13 41.628 0.04 . 1 . . 262 . . 2 ASP CB . 18841 1 15 . 1 1 3 3 TYR H H 1 8.290 0.008 . 1 . . 15 . . 3 TYR H . 18841 1 16 . 1 1 3 3 TYR HA H 1 4.541 0.008 . 1 . . 267 . . 3 TYR HA . 18841 1 17 . 1 1 3 3 TYR HB2 H 1 3.053 0.008 . 2 . . 268 . . 3 TYR HB2 . 18841 1 18 . 1 1 3 3 TYR HB3 H 1 2.931 0.008 . 2 . . 269 . . 3 TYR HB3 . 18841 1 19 . 1 1 3 3 TYR HD1 H 1 7.125 0.008 . 3 . . 538 . . 3 TYR HD1 . 18841 1 20 . 1 1 3 3 TYR HD2 H 1 7.125 0.008 . 3 . . 538 . . 3 TYR HD2 . 18841 1 21 . 1 1 3 3 TYR HE1 H 1 6.836 0.008 . 3 . . 539 . . 3 TYR HE1 . 18841 1 22 . 1 1 3 3 TYR HE2 H 1 6.836 0.008 . 3 . . 539 . . 3 TYR HE2 . 18841 1 23 . 1 1 3 3 TYR C C 13 175.606 0.04 . 1 . . 271 . . 3 TYR C . 18841 1 24 . 1 1 3 3 TYR CA C 13 58.057 0.04 . 1 . . 254 . . 3 TYR CA . 18841 1 25 . 1 1 3 3 TYR CB C 13 38.904 0.04 . 1 . . 255 . . 3 TYR CB . 18841 1 26 . 1 1 3 3 TYR CD1 C 13 133.312 0.04 . 3 . . 627 . . 3 TYR CD1 . 18841 1 27 . 1 1 3 3 TYR CD2 C 13 133.312 0.04 . 3 . . 627 . . 3 TYR CD2 . 18841 1 28 . 1 1 3 3 TYR CE1 C 13 118.307 0.04 . 3 . . 551 . . 3 TYR CE1 . 18841 1 29 . 1 1 3 3 TYR CE2 C 13 118.307 0.04 . 3 . . 551 . . 3 TYR CE2 . 18841 1 30 . 1 1 3 3 TYR N N 15 121.124 0.04 . 1 . . 16 . . 3 TYR N . 18841 1 31 . 1 1 4 4 LYS H H 1 8.315 0.008 . 1 . . 118 . . 4 LYS H . 18841 1 32 . 1 1 4 4 LYS HA H 1 4.289 0.008 . 1 . . 273 . . 4 LYS HA . 18841 1 33 . 1 1 4 4 LYS HB2 H 1 1.730 0.008 . 2 . . 275 . . 4 LYS HB2 . 18841 1 34 . 1 1 4 4 LYS HB3 H 1 1.792 0.008 . 2 . . 274 . . 4 LYS HB3 . 18841 1 35 . 1 1 4 4 LYS HG2 H 1 1.365 0.008 . 1 . . 644 . . 4 LYS HG2 . 18841 1 36 . 1 1 4 4 LYS HG3 H 1 1.365 0.008 . 1 . . 643 . . 4 LYS HG3 . 18841 1 37 . 1 1 4 4 LYS HD2 H 1 1.690 0.008 . 1 . . 646 . . 4 LYS HD2 . 18841 1 38 . 1 1 4 4 LYS HD3 H 1 1.690 0.008 . 1 . . 645 . . 4 LYS HD3 . 18841 1 39 . 1 1 4 4 LYS HE2 H 1 3.005 0.008 . 1 . . 648 . . 4 LYS HE2 . 18841 1 40 . 1 1 4 4 LYS HE3 H 1 3.005 0.008 . 1 . . 647 . . 4 LYS HE3 . 18841 1 41 . 1 1 4 4 LYS C C 13 176.038 0.04 . 1 . . 272 . . 4 LYS C . 18841 1 42 . 1 1 4 4 LYS CA C 13 56.305 0.04 . 1 . . 260 . . 4 LYS CA . 18841 1 43 . 1 1 4 4 LYS CB C 13 33.295 0.04 . 1 . . 261 . . 4 LYS CB . 18841 1 44 . 1 1 4 4 LYS CG C 13 24.621 0.04 . 1 . . 531 . . 4 LYS CG . 18841 1 45 . 1 1 4 4 LYS CD C 13 29.057 0.04 . 1 . . 532 . . 4 LYS CD . 18841 1 46 . 1 1 4 4 LYS CE C 13 42.079 0.04 . 1 . . 533 . . 4 LYS CE . 18841 1 47 . 1 1 4 4 LYS N N 15 123.211 0.04 . 1 . . 119 . . 4 LYS N . 18841 1 48 . 1 1 5 5 ASP H H 1 8.280 0.008 . 1 . . 110 . . 5 ASP H . 18841 1 49 . 1 1 5 5 ASP HA H 1 4.578 0.008 . 1 . . 277 . . 5 ASP HA . 18841 1 50 . 1 1 5 5 ASP HB2 H 1 2.651 0.008 . 2 . . 279 . . 5 ASP HB2 . 18841 1 51 . 1 1 5 5 ASP HB3 H 1 2.738 0.008 . 2 . . 278 . . 5 ASP HB3 . 18841 1 52 . 1 1 5 5 ASP C C 13 176.061 0.04 . 1 . . 276 . . 5 ASP C . 18841 1 53 . 1 1 5 5 ASP CA C 13 54.461 0.04 . 1 . . 256 . . 5 ASP CA . 18841 1 54 . 1 1 5 5 ASP CB C 13 41.399 0.04 . 1 . . 257 . . 5 ASP CB . 18841 1 55 . 1 1 5 5 ASP N N 15 121.413 0.04 . 1 . . 111 . . 5 ASP N . 18841 1 56 . 1 1 6 6 ASP H H 1 8.282 0.008 . 1 . . 78 . . 6 ASP H . 18841 1 57 . 1 1 6 6 ASP HA H 1 4.577 0.008 . 1 . . 281 . . 6 ASP HA . 18841 1 58 . 1 1 6 6 ASP HB2 H 1 2.709 0.008 . 2 . . 282 . . 6 ASP HB2 . 18841 1 59 . 1 1 6 6 ASP HB3 H 1 2.645 0.008 . 2 . . 283 . . 6 ASP HB3 . 18841 1 60 . 1 1 6 6 ASP C C 13 176.565 0.04 . 1 . . 280 . . 6 ASP C . 18841 1 61 . 1 1 6 6 ASP CA C 13 54.856 0.04 . 1 . . 258 . . 6 ASP CA . 18841 1 62 . 1 1 6 6 ASP CB C 13 41.280 0.04 . 1 . . 259 . . 6 ASP CB . 18841 1 63 . 1 1 6 6 ASP N N 15 120.415 0.04 . 1 . . 79 . . 6 ASP N . 18841 1 64 . 1 1 7 7 ASP H H 1 8.292 0.008 . 1 . . 136 . . 7 ASP H . 18841 1 65 . 1 1 7 7 ASP CA C 13 55.018 0.04 . 1 . . 490 . . 7 ASP CA . 18841 1 66 . 1 1 7 7 ASP CB C 13 41.302 0.04 . 1 . . 489 . . 7 ASP CB . 18841 1 67 . 1 1 7 7 ASP N N 15 120.713 0.04 . 1 . . 137 . . 7 ASP N . 18841 1 68 . 1 1 8 8 ASP HA H 1 4.519 0.008 . 1 . . 285 . . 8 ASP HA . 18841 1 69 . 1 1 8 8 ASP HB2 H 1 2.708 0.008 . 1 . . 286 . . 8 ASP HB2 . 18841 1 70 . 1 1 8 8 ASP HB3 H 1 2.708 0.008 . 1 . . 493 . . 8 ASP HB3 . 18841 1 71 . 1 1 8 8 ASP C C 13 177.147 0.04 . 1 . . 284 . . 8 ASP C . 18841 1 72 . 1 1 8 8 ASP CA C 13 55.084 0.04 . 1 . . 491 . . 8 ASP CA . 18841 1 73 . 1 1 8 8 ASP CB C 13 41.078 0.04 . 1 . . 492 . . 8 ASP CB . 18841 1 74 . 1 1 9 9 LYS H H 1 8.175 0.008 . 1 . . 3 . . 9 LYS H . 18841 1 75 . 1 1 9 9 LYS HA H 1 4.167 0.008 . 1 . . 288 . . 9 LYS HA . 18841 1 76 . 1 1 9 9 LYS HB2 H 1 1.818 0.008 . 1 . . 289 . . 9 LYS HB2 . 18841 1 77 . 1 1 9 9 LYS HB3 H 1 1.818 0.008 . 1 . . 494 . . 9 LYS HB3 . 18841 1 78 . 1 1 9 9 LYS HG2 H 1 1.447 0.008 . 1 . . 653 . . 9 LYS HG2 . 18841 1 79 . 1 1 9 9 LYS HG3 H 1 1.447 0.008 . 1 . . 654 . . 9 LYS HG3 . 18841 1 80 . 1 1 9 9 LYS HD2 H 1 1.671 0.008 . 1 . . 651 . . 9 LYS HD2 . 18841 1 81 . 1 1 9 9 LYS HD3 H 1 1.671 0.008 . 1 . . 652 . . 9 LYS HD3 . 18841 1 82 . 1 1 9 9 LYS HE2 H 1 3.006 0.008 . 1 . . 650 . . 9 LYS HE2 . 18841 1 83 . 1 1 9 9 LYS HE3 H 1 3.006 0.008 . 1 . . 649 . . 9 LYS HE3 . 18841 1 84 . 1 1 9 9 LYS C C 13 177.063 0.04 . 1 . . 287 . . 9 LYS C . 18841 1 85 . 1 1 9 9 LYS CA C 13 57.293 0.04 . 1 . . 250 . . 9 LYS CA . 18841 1 86 . 1 1 9 9 LYS CB C 13 32.485 0.04 . 1 . . 251 . . 9 LYS CB . 18841 1 87 . 1 1 9 9 LYS CG C 13 24.769 0.04 . 1 . . 553 . . 9 LYS CG . 18841 1 88 . 1 1 9 9 LYS CD C 13 29.032 0.04 . 1 . . 554 . . 9 LYS CD . 18841 1 89 . 1 1 9 9 LYS CE C 13 42.165 0.04 . 1 . . 552 . . 9 LYS CE . 18841 1 90 . 1 1 9 9 LYS N N 15 120.855 0.04 . 1 . . 4 . . 9 LYS N . 18841 1 91 . 1 1 10 10 ASN H H 1 8.308 0.008 . 1 . . 11 . . 10 ASN H . 18841 1 92 . 1 1 10 10 ASN HA H 1 4.682 0.008 . 1 . . 291 . . 10 ASN HA . 18841 1 93 . 1 1 10 10 ASN HB2 H 1 2.864 0.008 . 2 . . 292 . . 10 ASN HB2 . 18841 1 94 . 1 1 10 10 ASN HB3 H 1 2.776 0.008 . 2 . . 293 . . 10 ASN HB3 . 18841 1 95 . 1 1 10 10 ASN HD21 H 1 7.742 0.008 . 1 . . 58 . . 10 ASN HD21 . 18841 1 96 . 1 1 10 10 ASN HD22 H 1 6.948 0.008 . 1 . . 105 . . 10 ASN HD22 . 18841 1 97 . 1 1 10 10 ASN C C 13 175.659 0.04 . 1 . . 290 . . 10 ASN C . 18841 1 98 . 1 1 10 10 ASN CA C 13 53.694 0.04 . 1 . . 249 . . 10 ASN CA . 18841 1 99 . 1 1 10 10 ASN CB C 13 38.743 0.04 . 1 . . 248 . . 10 ASN CB . 18841 1 100 . 1 1 10 10 ASN N N 15 118.057 0.04 . 1 . . 12 . . 10 ASN N . 18841 1 101 . 1 1 10 10 ASN ND2 N 15 113.577 0.04 . 1 . . 59 . . 10 ASN ND2 . 18841 1 102 . 1 1 11 11 ARG H H 1 8.022 0.008 . 1 . . 68 . . 11 ARG H . 18841 1 103 . 1 1 11 11 ARG HA H 1 4.255 0.008 . 1 . . 295 . . 11 ARG HA . 18841 1 104 . 1 1 11 11 ARG HB2 H 1 1.797 0.008 . 2 . . 297 . . 11 ARG HB2 . 18841 1 105 . 1 1 11 11 ARG HB3 H 1 1.869 0.008 . 2 . . 296 . . 11 ARG HB3 . 18841 1 106 . 1 1 11 11 ARG HG2 H 1 1.629 0.008 . 1 . . 657 . . 11 ARG HG2 . 18841 1 107 . 1 1 11 11 ARG HG3 H 1 1.629 0.008 . 1 . . 658 . . 11 ARG HG3 . 18841 1 108 . 1 1 11 11 ARG HD2 H 1 3.196 0.008 . 1 . . 655 . . 11 ARG HD2 . 18841 1 109 . 1 1 11 11 ARG HD3 H 1 3.196 0.008 . 1 . . 656 . . 11 ARG HD3 . 18841 1 110 . 1 1 11 11 ARG C C 13 176.191 0.04 . 1 . . 294 . . 11 ARG C . 18841 1 111 . 1 1 11 11 ARG CA C 13 56.699 0.04 . 1 . . 246 . . 11 ARG CA . 18841 1 112 . 1 1 11 11 ARG CB C 13 30.654 0.04 . 1 . . 247 . . 11 ARG CB . 18841 1 113 . 1 1 11 11 ARG CG C 13 27.201 0.04 . 1 . . 556 . . 11 ARG CG . 18841 1 114 . 1 1 11 11 ARG CD C 13 43.385 0.04 . 1 . . 555 . . 11 ARG CD . 18841 1 115 . 1 1 11 11 ARG N N 15 121.166 0.04 . 1 . . 69 . . 11 ARG N . 18841 1 116 . 1 1 12 12 ALA H H 1 8.178 0.008 . 1 . . 134 . . 12 ALA H . 18841 1 117 . 1 1 12 12 ALA HA H 1 4.310 0.008 . 1 . . 300 . . 12 ALA HA . 18841 1 118 . 1 1 12 12 ALA HB1 H 1 1.400 0.008 . 1 . . 299 . . 12 ALA HB1 . 18841 1 119 . 1 1 12 12 ALA HB2 H 1 1.400 0.008 . 1 . . 299 . . 12 ALA HB2 . 18841 1 120 . 1 1 12 12 ALA HB3 H 1 1.400 0.008 . 1 . . 299 . . 12 ALA HB3 . 18841 1 121 . 1 1 12 12 ALA C C 13 177.621 0.04 . 1 . . 298 . . 12 ALA C . 18841 1 122 . 1 1 12 12 ALA CA C 13 52.631 0.04 . 1 . . 244 . . 12 ALA CA . 18841 1 123 . 1 1 12 12 ALA CB C 13 19.140 0.04 . 1 . . 245 . . 12 ALA CB . 18841 1 124 . 1 1 12 12 ALA N N 15 124.159 0.04 . 1 . . 135 . . 12 ALA N . 18841 1 125 . 1 1 13 13 LEU H H 1 8.059 0.008 . 1 . . 9 . . 13 LEU H . 18841 1 126 . 1 1 13 13 LEU HA H 1 4.361 0.008 . 1 . . 304 . . 13 LEU HA . 18841 1 127 . 1 1 13 13 LEU HB2 H 1 1.652 0.008 . 2 . . 305 . . 13 LEU HB2 . 18841 1 128 . 1 1 13 13 LEU HB3 H 1 1.596 0.008 . 2 . . 306 . . 13 LEU HB3 . 18841 1 129 . 1 1 13 13 LEU HG H 1 1.667 0.008 . 1 . . 661 . . 13 LEU HG . 18841 1 130 . 1 1 13 13 LEU HD11 H 1 0.920 0.008 . 2 . . 660 . . 13 LEU HD11 . 18841 1 131 . 1 1 13 13 LEU HD12 H 1 0.920 0.008 . 2 . . 660 . . 13 LEU HD12 . 18841 1 132 . 1 1 13 13 LEU HD13 H 1 0.920 0.008 . 2 . . 660 . . 13 LEU HD13 . 18841 1 133 . 1 1 13 13 LEU HD21 H 1 0.863 0.008 . 2 . . 659 . . 13 LEU HD21 . 18841 1 134 . 1 1 13 13 LEU HD22 H 1 0.863 0.008 . 2 . . 659 . . 13 LEU HD22 . 18841 1 135 . 1 1 13 13 LEU HD23 H 1 0.863 0.008 . 2 . . 659 . . 13 LEU HD23 . 18841 1 136 . 1 1 13 13 LEU C C 13 177.214 0.04 . 1 . . 301 . . 13 LEU C . 18841 1 137 . 1 1 13 13 LEU CA C 13 55.004 0.04 . 1 . . 242 . . 13 LEU CA . 18841 1 138 . 1 1 13 13 LEU CB C 13 42.461 0.04 . 1 . . 243 . . 13 LEU CB . 18841 1 139 . 1 1 13 13 LEU CG C 13 27.133 0.04 . 1 . . 557 . . 13 LEU CG . 18841 1 140 . 1 1 13 13 LEU CD1 C 13 25.131 0.04 . 2 . . 558 . . 13 LEU CD1 . 18841 1 141 . 1 1 13 13 LEU CD2 C 13 23.409 0.04 . 2 . . 559 . . 13 LEU CD2 . 18841 1 142 . 1 1 13 13 LEU N N 15 120.732 0.04 . 1 . . 10 . . 13 LEU N . 18841 1 143 . 1 1 14 14 SER H H 1 8.178 0.008 . 1 . . 103 . . 14 SER H . 18841 1 144 . 1 1 14 14 SER HA H 1 4.752 0.008 . 1 . . 772 . . 14 SER HA . 18841 1 145 . 1 1 14 14 SER HB2 H 1 3.869 0.008 . 1 . . 770 . . 14 SER HB2 . 18841 1 146 . 1 1 14 14 SER HB3 H 1 3.869 0.008 . 1 . . 771 . . 14 SER HB3 . 18841 1 147 . 1 1 14 14 SER CA C 13 56.372 0.04 . 1 . . 302 . . 14 SER CA . 18841 1 148 . 1 1 14 14 SER CB C 13 63.465 0.04 . 1 . . 303 . . 14 SER CB . 18841 1 149 . 1 1 14 14 SER N N 15 117.563 0.04 . 1 . . 104 . . 14 SER N . 18841 1 150 . 1 1 15 15 PRO HA H 1 4.447 0.008 . 1 . . 308 . . 15 PRO HA . 18841 1 151 . 1 1 15 15 PRO HB2 H 1 1.913 0.008 . 2 . . 310 . . 15 PRO HB2 . 18841 1 152 . 1 1 15 15 PRO HB3 H 1 2.286 0.008 . 2 . . 309 . . 15 PRO HB3 . 18841 1 153 . 1 1 15 15 PRO HG2 H 1 1.999 0.008 . 1 . . 663 . . 15 PRO HG2 . 18841 1 154 . 1 1 15 15 PRO HG3 H 1 1.999 0.008 . 1 . . 662 . . 15 PRO HG3 . 18841 1 155 . 1 1 15 15 PRO HD2 H 1 3.720 0.008 . 2 . . 783 . . 15 PRO HD2 . 18841 1 156 . 1 1 15 15 PRO HD3 H 1 3.777 0.008 . 2 . . 664 . . 15 PRO HD3 . 18841 1 157 . 1 1 15 15 PRO C C 13 176.855 0.04 . 1 . . 307 . . 15 PRO C . 18841 1 158 . 1 1 15 15 PRO CA C 13 63.373 0.04 . 1 . . 496 . . 15 PRO CA . 18841 1 159 . 1 1 15 15 PRO CB C 13 32.180 0.04 . 1 . . 495 . . 15 PRO CB . 18841 1 160 . 1 1 15 15 PRO CG C 13 27.335 0.04 . 1 . . 561 . . 15 PRO CG . 18841 1 161 . 1 1 15 15 PRO CD C 13 50.794 0.04 . 1 . . 560 . . 15 PRO CD . 18841 1 162 . 1 1 16 16 MET H H 1 8.379 0.008 . 1 . . 7 . . 16 MET H . 18841 1 163 . 1 1 16 16 MET HA H 1 4.449 0.008 . 1 . . 312 . . 16 MET HA . 18841 1 164 . 1 1 16 16 MET HB2 H 1 2.037 0.008 . 2 . . 313 . . 16 MET HB2 . 18841 1 165 . 1 1 16 16 MET HB3 H 1 2.037 0.008 . 2 . . 314 . . 16 MET HB3 . 18841 1 166 . 1 1 16 16 MET HG2 H 1 2.590 0.008 . 2 . . 665 . . 16 MET HG2 . 18841 1 167 . 1 1 16 16 MET HG3 H 1 2.529 0.008 . 2 . . 666 . . 16 MET HG3 . 18841 1 168 . 1 1 16 16 MET HE1 H 1 2.087 0.008 . 1 . . 803 . . 16 MET HE1 . 18841 1 169 . 1 1 16 16 MET HE2 H 1 2.087 0.008 . 1 . . 803 . . 16 MET HE2 . 18841 1 170 . 1 1 16 16 MET HE3 H 1 2.087 0.008 . 1 . . 803 . . 16 MET HE3 . 18841 1 171 . 1 1 16 16 MET C C 13 176.235 0.04 . 1 . . 311 . . 16 MET C . 18841 1 172 . 1 1 16 16 MET CA C 13 55.768 0.04 . 1 . . 195 . . 16 MET CA . 18841 1 173 . 1 1 16 16 MET CB C 13 32.872 0.04 . 1 . . 194 . . 16 MET CB . 18841 1 174 . 1 1 16 16 MET CG C 13 32.176 0.04 . 1 . . 618 . . 16 MET CG . 18841 1 175 . 1 1 16 16 MET CE C 13 17.103 0.04 . 1 . . 802 . . 16 MET CE . 18841 1 176 . 1 1 16 16 MET N N 15 120.243 0.04 . 1 . . 8 . . 16 MET N . 18841 1 177 . 1 1 17 17 VAL H H 1 8.051 0.008 . 1 . . 128 . . 17 VAL H . 18841 1 178 . 1 1 17 17 VAL HA H 1 4.125 0.008 . 1 . . 316 . . 17 VAL HA . 18841 1 179 . 1 1 17 17 VAL HB H 1 2.069 0.008 . 1 . . 317 . . 17 VAL HB . 18841 1 180 . 1 1 17 17 VAL HG11 H 1 0.915 0.008 . 1 . . 668 . . 17 VAL HG11 . 18841 1 181 . 1 1 17 17 VAL HG12 H 1 0.915 0.008 . 1 . . 668 . . 17 VAL HG12 . 18841 1 182 . 1 1 17 17 VAL HG13 H 1 0.915 0.008 . 1 . . 668 . . 17 VAL HG13 . 18841 1 183 . 1 1 17 17 VAL HG21 H 1 0.915 0.008 . 1 . . 667 . . 17 VAL HG21 . 18841 1 184 . 1 1 17 17 VAL HG22 H 1 0.915 0.008 . 1 . . 667 . . 17 VAL HG22 . 18841 1 185 . 1 1 17 17 VAL HG23 H 1 0.915 0.008 . 1 . . 667 . . 17 VAL HG23 . 18841 1 186 . 1 1 17 17 VAL C C 13 175.969 0.04 . 1 . . 315 . . 17 VAL C . 18841 1 187 . 1 1 17 17 VAL CA C 13 62.303 0.04 . 1 . . 193 . . 17 VAL CA . 18841 1 188 . 1 1 17 17 VAL CB C 13 32.924 0.04 . 1 . . 192 . . 17 VAL CB . 18841 1 189 . 1 1 17 17 VAL CG1 C 13 21.267 0.04 . 2 . . 562 . . 17 VAL CG1 . 18841 1 190 . 1 1 17 17 VAL CG2 C 13 20.589 0.04 . 2 . . 563 . . 17 VAL CG2 . 18841 1 191 . 1 1 17 17 VAL N N 15 121.027 0.04 . 1 . . 129 . . 17 VAL N . 18841 1 192 . 1 1 18 18 SER H H 1 8.332 0.008 . 1 . . 122 . . 18 SER H . 18841 1 193 . 1 1 18 18 SER HA H 1 4.417 0.008 . 1 . . 319 . . 18 SER HA . 18841 1 194 . 1 1 18 18 SER HB2 H 1 3.852 0.008 . 2 . . 320 . . 18 SER HB2 . 18841 1 195 . 1 1 18 18 SER HB3 H 1 3.783 0.008 . 2 . . 321 . . 18 SER HB3 . 18841 1 196 . 1 1 18 18 SER C C 13 174.466 0.04 . 1 . . 318 . . 18 SER C . 18841 1 197 . 1 1 18 18 SER CA C 13 58.306 0.04 . 1 . . 191 . . 18 SER CA . 18841 1 198 . 1 1 18 18 SER CB C 13 63.972 0.04 . 1 . . 190 . . 18 SER CB . 18841 1 199 . 1 1 18 18 SER N N 15 118.998 0.04 . 1 . . 123 . . 18 SER N . 18841 1 200 . 1 1 19 19 GLU H H 1 8.353 0.008 . 1 . . 83 . . 19 GLU H . 18841 1 201 . 1 1 19 19 GLU HA H 1 4.187 0.008 . 1 . . 323 . . 19 GLU HA . 18841 1 202 . 1 1 19 19 GLU HB2 H 1 1.868 0.008 . 2 . . 324 . . 19 GLU HB2 . 18841 1 203 . 1 1 19 19 GLU HB3 H 1 1.804 0.008 . 2 . . 325 . . 19 GLU HB3 . 18841 1 204 . 1 1 19 19 GLU HG2 H 1 2.081 0.008 . 2 . . 670 . . 19 GLU HG2 . 18841 1 205 . 1 1 19 19 GLU HG3 H 1 2.023 0.008 . 2 . . 669 . . 19 GLU HG3 . 18841 1 206 . 1 1 19 19 GLU C C 13 176.103 0.04 . 1 . . 322 . . 19 GLU C . 18841 1 207 . 1 1 19 19 GLU CA C 13 56.948 0.04 . 1 . . 188 . . 19 GLU CA . 18841 1 208 . 1 1 19 19 GLU CB C 13 30.200 0.04 . 1 . . 189 . . 19 GLU CB . 18841 1 209 . 1 1 19 19 GLU CG C 13 36.106 0.04 . 1 . . 564 . . 19 GLU CG . 18841 1 210 . 1 1 19 19 GLU N N 15 122.706 0.04 . 1 . . 84 . . 19 GLU N . 18841 1 211 . 1 1 20 20 PHE H H 1 8.102 0.008 . 1 . . 53 . . 20 PHE H . 18841 1 212 . 1 1 20 20 PHE HA H 1 4.611 0.008 . 1 . . 327 . . 20 PHE HA . 18841 1 213 . 1 1 20 20 PHE HB2 H 1 3.199 0.008 . 2 . . 328 . . 20 PHE HB2 . 18841 1 214 . 1 1 20 20 PHE HB3 H 1 2.928 0.008 . 2 . . 329 . . 20 PHE HB3 . 18841 1 215 . 1 1 20 20 PHE HD1 H 1 7.198 0.008 . 3 . . 536 . . 20 PHE HD1 . 18841 1 216 . 1 1 20 20 PHE HD2 H 1 7.198 0.008 . 3 . . 536 . . 20 PHE HD2 . 18841 1 217 . 1 1 20 20 PHE HE1 H 1 7.248 0.008 . 3 . . 537 . . 20 PHE HE1 . 18841 1 218 . 1 1 20 20 PHE HE2 H 1 7.248 0.008 . 3 . . 537 . . 20 PHE HE2 . 18841 1 219 . 1 1 20 20 PHE HZ H 1 7.081 0.008 . 1 . . 639 . . 20 PHE HZ . 18841 1 220 . 1 1 20 20 PHE C C 13 175.962 0.04 . 1 . . 326 . . 20 PHE C . 18841 1 221 . 1 1 20 20 PHE CA C 13 57.757 0.04 . 1 . . 186 . . 20 PHE CA . 18841 1 222 . 1 1 20 20 PHE CB C 13 39.953 0.04 . 1 . . 187 . . 20 PHE CB . 18841 1 223 . 1 1 20 20 PHE CD1 C 13 131.664 0.04 . 3 . . 628 . . 20 PHE CD1 . 18841 1 224 . 1 1 20 20 PHE CD2 C 13 131.664 0.04 . 3 . . 628 . . 20 PHE CD2 . 18841 1 225 . 1 1 20 20 PHE CE1 C 13 131.518 0.04 . 3 . . 631 . . 20 PHE CE1 . 18841 1 226 . 1 1 20 20 PHE CE2 C 13 131.518 0.04 . 3 . . 631 . . 20 PHE CE2 . 18841 1 227 . 1 1 20 20 PHE CZ C 13 129.830 0.04 . 1 . . 640 . . 20 PHE CZ . 18841 1 228 . 1 1 20 20 PHE N N 15 119.361 0.04 . 1 . . 54 . . 20 PHE N . 18841 1 229 . 1 1 21 21 GLU H H 1 8.456 0.008 . 1 . . 33 . . 21 GLU H . 18841 1 230 . 1 1 21 21 GLU HA H 1 4.279 0.008 . 1 . . 331 . . 21 GLU HA . 18841 1 231 . 1 1 21 21 GLU HB2 H 1 2.058 0.008 . 1 . . 332 . . 21 GLU HB2 . 18841 1 232 . 1 1 21 21 GLU HB3 H 1 2.058 0.008 . 1 . . 502 . . 21 GLU HB3 . 18841 1 233 . 1 1 21 21 GLU HG2 H 1 2.316 0.008 . 2 . . 671 . . 21 GLU HG2 . 18841 1 234 . 1 1 21 21 GLU HG3 H 1 2.273 0.008 . 2 . . 672 . . 21 GLU HG3 . 18841 1 235 . 1 1 21 21 GLU C C 13 176.757 0.04 . 1 . . 330 . . 21 GLU C . 18841 1 236 . 1 1 21 21 GLU CA C 13 57.516 0.04 . 1 . . 184 . . 21 GLU CA . 18841 1 237 . 1 1 21 21 GLU CB C 13 30.659 0.04 . 1 . . 185 . . 21 GLU CB . 18841 1 238 . 1 1 21 21 GLU CG C 13 36.555 0.04 . 1 . . 565 . . 21 GLU CG . 18841 1 239 . 1 1 21 21 GLU N N 15 121.475 0.04 . 1 . . 34 . . 21 GLU N . 18841 1 240 . 1 1 22 22 THR H H 1 7.933 0.008 . 1 . . 13 . . 22 THR H . 18841 1 241 . 1 1 22 22 THR HA H 1 4.474 0.008 . 1 . . 334 . . 22 THR HA . 18841 1 242 . 1 1 22 22 THR HB H 1 4.378 0.008 . 1 . . 335 . . 22 THR HB . 18841 1 243 . 1 1 22 22 THR HG21 H 1 1.228 0.008 . 1 . . 674 . . 22 THR HG21 . 18841 1 244 . 1 1 22 22 THR HG22 H 1 1.228 0.008 . 1 . . 674 . . 22 THR HG22 . 18841 1 245 . 1 1 22 22 THR HG23 H 1 1.228 0.008 . 1 . . 674 . . 22 THR HG23 . 18841 1 246 . 1 1 22 22 THR C C 13 174.957 0.04 . 1 . . 333 . . 22 THR C . 18841 1 247 . 1 1 22 22 THR CA C 13 61.356 0.04 . 1 . . 182 . . 22 THR CA . 18841 1 248 . 1 1 22 22 THR CB C 13 70.790 0.04 . 1 . . 183 . . 22 THR CB . 18841 1 249 . 1 1 22 22 THR CG2 C 13 21.951 0.04 . 1 . . 673 . . 22 THR CG2 . 18841 1 250 . 1 1 22 22 THR N N 15 112.347 0.04 . 1 . . 14 . . 22 THR N . 18841 1 251 . 1 1 23 23 ILE H H 1 8.323 0.008 . 1 . . 45 . . 23 ILE H . 18841 1 252 . 1 1 23 23 ILE HA H 1 4.113 0.008 . 1 . . 337 . . 23 ILE HA . 18841 1 253 . 1 1 23 23 ILE HB H 1 1.873 0.008 . 1 . . 338 . . 23 ILE HB . 18841 1 254 . 1 1 23 23 ILE HG12 H 1 1.501 0.008 . 2 . . 677 . . 23 ILE HG12 . 18841 1 255 . 1 1 23 23 ILE HG13 H 1 1.228 0.008 . 2 . . 678 . . 23 ILE HG13 . 18841 1 256 . 1 1 23 23 ILE HG21 H 1 0.913 0.008 . 1 . . 676 . . 23 ILE HG21 . 18841 1 257 . 1 1 23 23 ILE HG22 H 1 0.913 0.008 . 1 . . 676 . . 23 ILE HG22 . 18841 1 258 . 1 1 23 23 ILE HG23 H 1 0.913 0.008 . 1 . . 676 . . 23 ILE HG23 . 18841 1 259 . 1 1 23 23 ILE HD11 H 1 0.860 0.008 . 1 . . 675 . . 23 ILE HD11 . 18841 1 260 . 1 1 23 23 ILE HD12 H 1 0.860 0.008 . 1 . . 675 . . 23 ILE HD12 . 18841 1 261 . 1 1 23 23 ILE HD13 H 1 0.860 0.008 . 1 . . 675 . . 23 ILE HD13 . 18841 1 262 . 1 1 23 23 ILE C C 13 176.814 0.04 . 1 . . 336 . . 23 ILE C . 18841 1 263 . 1 1 23 23 ILE CA C 13 62.105 0.04 . 1 . . 181 . . 23 ILE CA . 18841 1 264 . 1 1 23 23 ILE CB C 13 38.559 0.04 . 1 . . 180 . . 23 ILE CB . 18841 1 265 . 1 1 23 23 ILE CG1 C 13 27.923 0.04 . 1 . . 566 . . 23 ILE CG1 . 18841 1 266 . 1 1 23 23 ILE CG2 C 13 17.609 0.04 . 1 . . 567 . . 23 ILE CG2 . 18841 1 267 . 1 1 23 23 ILE CD1 C 13 13.162 0.04 . 1 . . 568 . . 23 ILE CD1 . 18841 1 268 . 1 1 23 23 ILE N N 15 122.874 0.04 . 1 . . 46 . . 23 ILE N . 18841 1 269 . 1 1 24 24 GLU H H 1 8.446 0.008 . 1 . . 35 . . 24 GLU H . 18841 1 270 . 1 1 24 24 GLU HA H 1 4.190 0.008 . 1 . . 340 . . 24 GLU HA . 18841 1 271 . 1 1 24 24 GLU HB2 H 1 2.013 0.008 . 1 . . 341 . . 24 GLU HB2 . 18841 1 272 . 1 1 24 24 GLU HB3 H 1 2.013 0.008 . 1 . . 503 . . 24 GLU HB3 . 18841 1 273 . 1 1 24 24 GLU HG2 H 1 2.293 0.008 . 1 . . 680 . . 24 GLU HG2 . 18841 1 274 . 1 1 24 24 GLU HG3 H 1 2.293 0.008 . 1 . . 679 . . 24 GLU HG3 . 18841 1 275 . 1 1 24 24 GLU C C 13 177.841 0.04 . 1 . . 339 . . 24 GLU C . 18841 1 276 . 1 1 24 24 GLU CA C 13 58.205 0.04 . 1 . . 179 . . 24 GLU CA . 18841 1 277 . 1 1 24 24 GLU CB C 13 29.654 0.04 . 1 . . 178 . . 24 GLU CB . 18841 1 278 . 1 1 24 24 GLU CG C 13 36.529 0.04 . 1 . . 569 . . 24 GLU CG . 18841 1 279 . 1 1 24 24 GLU N N 15 123.212 0.04 . 1 . . 36 . . 24 GLU N . 18841 1 280 . 1 1 25 25 GLN H H 1 8.183 0.008 . 1 . . 144 . . 25 GLN H . 18841 1 281 . 1 1 25 25 GLN HA H 1 4.217 0.008 . 1 . . 343 . . 25 GLN HA . 18841 1 282 . 1 1 25 25 GLN HB2 H 1 2.138 0.008 . 1 . . 504 . . 25 GLN HB2 . 18841 1 283 . 1 1 25 25 GLN HB3 H 1 2.138 0.008 . 1 . . 344 . . 25 GLN HB3 . 18841 1 284 . 1 1 25 25 GLN HG2 H 1 2.416 0.008 . 1 . . 625 . . 25 GLN HG2 . 18841 1 285 . 1 1 25 25 GLN HG3 H 1 2.416 0.008 . 1 . . 624 . . 25 GLN HG3 . 18841 1 286 . 1 1 25 25 GLN HE21 H 1 7.541 0.008 . 1 . . 55 . . 25 GLN HE21 . 18841 1 287 . 1 1 25 25 GLN HE22 H 1 6.950 0.008 . 1 . . 51 . . 25 GLN HE22 . 18841 1 288 . 1 1 25 25 GLN C C 13 177.044 0.04 . 1 . . 342 . . 25 GLN C . 18841 1 289 . 1 1 25 25 GLN CA C 13 57.192 0.04 . 1 . . 176 . . 25 GLN CA . 18841 1 290 . 1 1 25 25 GLN CB C 13 29.390 0.04 . 1 . . 177 . . 25 GLN CB . 18841 1 291 . 1 1 25 25 GLN CG C 13 34.090 0.04 . 1 . . 570 . . 25 GLN CG . 18841 1 292 . 1 1 25 25 GLN N N 15 120.567 0.04 . 1 . . 145 . . 25 GLN N . 18841 1 293 . 1 1 25 25 GLN NE2 N 15 112.258 0.04 . 1 . . 52 . . 25 GLN NE2 . 18841 1 294 . 1 1 26 26 GLU H H 1 8.176 0.008 . 1 . . 138 . . 26 GLU H . 18841 1 295 . 1 1 26 26 GLU HA H 1 3.804 0.008 . 1 . . 346 . . 26 GLU HA . 18841 1 296 . 1 1 26 26 GLU HB2 H 1 2.076 0.008 . 2 . . 347 . . 26 GLU HB2 . 18841 1 297 . 1 1 26 26 GLU HB3 H 1 1.919 0.008 . 2 . . 348 . . 26 GLU HB3 . 18841 1 298 . 1 1 26 26 GLU HG2 H 1 2.190 0.008 . 1 . . 682 . . 26 GLU HG2 . 18841 1 299 . 1 1 26 26 GLU HG3 H 1 2.190 0.008 . 1 . . 681 . . 26 GLU HG3 . 18841 1 300 . 1 1 26 26 GLU C C 13 177.244 0.04 . 1 . . 345 . . 26 GLU C . 18841 1 301 . 1 1 26 26 GLU CA C 13 58.035 0.04 . 1 . . 175 . . 26 GLU CA . 18841 1 302 . 1 1 26 26 GLU CB C 13 29.898 0.04 . 1 . . 174 . . 26 GLU CB . 18841 1 303 . 1 1 26 26 GLU CG C 13 36.112 0.04 . 1 . . 571 . . 26 GLU CG . 18841 1 304 . 1 1 26 26 GLU N N 15 121.801 0.04 . 1 . . 139 . . 26 GLU N . 18841 1 305 . 1 1 27 27 ASN H H 1 8.583 0.008 . 1 . . 114 . . 27 ASN H . 18841 1 306 . 1 1 27 27 ASN HA H 1 4.658 0.008 . 1 . . 350 . . 27 ASN HA . 18841 1 307 . 1 1 27 27 ASN HB2 H 1 2.866 0.008 . 1 . . 505 . . 27 ASN HB2 . 18841 1 308 . 1 1 27 27 ASN HB3 H 1 2.866 0.008 . 1 . . 351 . . 27 ASN HB3 . 18841 1 309 . 1 1 27 27 ASN HD21 H 1 6.921 0.008 . 1 . . 17 . . 27 ASN HD21 . 18841 1 310 . 1 1 27 27 ASN HD22 H 1 7.682 0.008 . 1 . . 87 . . 27 ASN HD22 . 18841 1 311 . 1 1 27 27 ASN C C 13 176.714 0.04 . 1 . . 349 . . 27 ASN C . 18841 1 312 . 1 1 27 27 ASN CA C 13 54.638 0.04 . 1 . . 172 . . 27 ASN CA . 18841 1 313 . 1 1 27 27 ASN CB C 13 38.588 0.04 . 1 . . 173 . . 27 ASN CB . 18841 1 314 . 1 1 27 27 ASN N N 15 118.872 0.04 . 1 . . 115 . . 27 ASN N . 18841 1 315 . 1 1 27 27 ASN ND2 N 15 112.736 0.04 . 1 . . 18 . . 27 ASN ND2 . 18841 1 316 . 1 1 28 28 SER H H 1 8.286 0.008 . 1 . . 74 . . 28 SER H . 18841 1 317 . 1 1 28 28 SER HA H 1 4.373 0.008 . 1 . . 353 . . 28 SER HA . 18841 1 318 . 1 1 28 28 SER HB2 H 1 3.990 0.008 . 2 . . 354 . . 28 SER HB2 . 18841 1 319 . 1 1 28 28 SER HB3 H 1 3.957 0.008 . 2 . . 355 . . 28 SER HB3 . 18841 1 320 . 1 1 28 28 SER C C 13 175.733 0.04 . 1 . . 352 . . 28 SER C . 18841 1 321 . 1 1 28 28 SER CA C 13 60.335 0.04 . 1 . . 170 . . 28 SER CA . 18841 1 322 . 1 1 28 28 SER CB C 13 63.350 0.04 . 1 . . 171 . . 28 SER CB . 18841 1 323 . 1 1 28 28 SER N N 15 116.204 0.04 . 1 . . 75 . . 28 SER N . 18841 1 324 . 1 1 29 29 TYR H H 1 8.237 0.008 . 1 . . 95 . . 29 TYR H . 18841 1 325 . 1 1 29 29 TYR HA H 1 4.295 0.008 . 1 . . 357 . . 29 TYR HA . 18841 1 326 . 1 1 29 29 TYR HB2 H 1 2.980 0.008 . 1 . . 358 . . 29 TYR HB2 . 18841 1 327 . 1 1 29 29 TYR HB3 H 1 2.980 0.008 . 1 . . 506 . . 29 TYR HB3 . 18841 1 328 . 1 1 29 29 TYR HD1 H 1 7.019 0.008 . 3 . . 534 . . 29 TYR HD1 . 18841 1 329 . 1 1 29 29 TYR HD2 H 1 7.019 0.008 . 3 . . 534 . . 29 TYR HD2 . 18841 1 330 . 1 1 29 29 TYR HE1 H 1 6.836 0.008 . 3 . . 535 . . 29 TYR HE1 . 18841 1 331 . 1 1 29 29 TYR HE2 H 1 6.836 0.008 . 3 . . 535 . . 29 TYR HE2 . 18841 1 332 . 1 1 29 29 TYR C C 13 176.441 0.04 . 1 . . 356 . . 29 TYR C . 18841 1 333 . 1 1 29 29 TYR CA C 13 60.446 0.04 . 1 . . 168 . . 29 TYR CA . 18841 1 334 . 1 1 29 29 TYR CB C 13 38.477 0.04 . 1 . . 169 . . 29 TYR CB . 18841 1 335 . 1 1 29 29 TYR CD1 C 13 133.239 0.04 . 3 . . 626 . . 29 TYR CD1 . 18841 1 336 . 1 1 29 29 TYR CD2 C 13 133.239 0.04 . 3 . . 626 . . 29 TYR CD2 . 18841 1 337 . 1 1 29 29 TYR CE1 C 13 118.307 0.04 . 3 . . 550 . . 29 TYR CE1 . 18841 1 338 . 1 1 29 29 TYR CE2 C 13 118.307 0.04 . 3 . . 550 . . 29 TYR CE2 . 18841 1 339 . 1 1 29 29 TYR N N 15 123.705 0.04 . 1 . . 96 . . 29 TYR N . 18841 1 340 . 1 1 30 30 ASN H H 1 8.317 0.008 . 1 . . 116 . . 30 ASN H . 18841 1 341 . 1 1 30 30 ASN HA H 1 4.428 0.008 . 1 . . 360 . . 30 ASN HA . 18841 1 342 . 1 1 30 30 ASN HB2 H 1 2.835 0.008 . 2 . . 361 . . 30 ASN HB2 . 18841 1 343 . 1 1 30 30 ASN HB3 H 1 2.721 0.008 . 2 . . 362 . . 30 ASN HB3 . 18841 1 344 . 1 1 30 30 ASN HD21 H 1 7.641 0.008 . 1 . . 76 . . 30 ASN HD21 . 18841 1 345 . 1 1 30 30 ASN HD22 H 1 7.059 0.008 . 1 . . 92 . . 30 ASN HD22 . 18841 1 346 . 1 1 30 30 ASN C C 13 177.386 0.04 . 1 . . 359 . . 30 ASN C . 18841 1 347 . 1 1 30 30 ASN CA C 13 55.452 0.04 . 1 . . 166 . . 30 ASN CA . 18841 1 348 . 1 1 30 30 ASN CB C 13 38.445 0.04 . 1 . . 167 . . 30 ASN CB . 18841 1 349 . 1 1 30 30 ASN N N 15 118.190 0.04 . 1 . . 117 . . 30 ASN N . 18841 1 350 . 1 1 30 30 ASN ND2 N 15 112.529 0.04 . 1 . . 77 . . 30 ASN ND2 . 18841 1 351 . 1 1 31 31 GLU H H 1 8.210 0.008 . 1 . . 124 . . 31 GLU H . 18841 1 352 . 1 1 31 31 GLU HA H 1 4.057 0.008 . 1 . . 364 . . 31 GLU HA . 18841 1 353 . 1 1 31 31 GLU HB2 H 1 2.078 0.008 . 1 . . 365 . . 31 GLU HB2 . 18841 1 354 . 1 1 31 31 GLU HB3 H 1 2.078 0.008 . 1 . . 507 . . 31 GLU HB3 . 18841 1 355 . 1 1 31 31 GLU HG2 H 1 2.258 0.008 . 1 . . 683 . . 31 GLU HG2 . 18841 1 356 . 1 1 31 31 GLU HG3 H 1 2.258 0.008 . 1 . . 684 . . 31 GLU HG3 . 18841 1 357 . 1 1 31 31 GLU C C 13 178.045 0.04 . 1 . . 363 . . 31 GLU C . 18841 1 358 . 1 1 31 31 GLU CA C 13 58.839 0.04 . 1 . . 165 . . 31 GLU CA . 18841 1 359 . 1 1 31 31 GLU CB C 13 29.631 0.04 . 1 . . 164 . . 31 GLU CB . 18841 1 360 . 1 1 31 31 GLU CG C 13 36.230 0.04 . 1 . . 572 . . 31 GLU CG . 18841 1 361 . 1 1 31 31 GLU N N 15 120.505 0.04 . 1 . . 125 . . 31 GLU N . 18841 1 362 . 1 1 32 32 TRP H H 1 8.031 0.008 . 1 . . 43 . . 32 TRP H . 18841 1 363 . 1 1 32 32 TRP HA H 1 4.316 0.008 . 1 . . 367 . . 32 TRP HA . 18841 1 364 . 1 1 32 32 TRP HB2 H 1 3.477 0.008 . 1 . . 368 . . 32 TRP HB2 . 18841 1 365 . 1 1 32 32 TRP HB3 H 1 3.265 0.008 . 2 . . 508 . . 32 TRP HB3 . 18841 1 366 . 1 1 32 32 TRP HD1 H 1 7.221 0.008 . 1 . . 542 . . 32 TRP HD1 . 18841 1 367 . 1 1 32 32 TRP HE1 H 1 10.177 0.008 . 1 . . 56 . . 32 TRP HE1 . 18841 1 368 . 1 1 32 32 TRP HE3 H 1 7.341 0.008 . 1 . . 637 . . 32 TRP HE3 . 18841 1 369 . 1 1 32 32 TRP HZ2 H 1 7.467 0.008 . 1 . . 548 . . 32 TRP HZ2 . 18841 1 370 . 1 1 32 32 TRP HZ3 H 1 7.066 0.008 . 1 . . 635 . . 32 TRP HZ3 . 18841 1 371 . 1 1 32 32 TRP HH2 H 1 7.187 0.008 . 1 . . 633 . . 32 TRP HH2 . 18841 1 372 . 1 1 32 32 TRP C C 13 177.638 0.04 . 1 . . 366 . . 32 TRP C . 18841 1 373 . 1 1 32 32 TRP CA C 13 60.090 0.04 . 1 . . 155 . . 32 TRP CA . 18841 1 374 . 1 1 32 32 TRP CB C 13 28.545 0.04 . 1 . . 154 . . 32 TRP CB . 18841 1 375 . 1 1 32 32 TRP CD1 C 13 127.245 0.04 . 1 . . 547 . . 32 TRP CD1 . 18841 1 376 . 1 1 32 32 TRP CE3 C 13 120.812 0.04 . 1 . . 636 . . 32 TRP CE3 . 18841 1 377 . 1 1 32 32 TRP CZ2 C 13 114.389 0.04 . 1 . . 549 . . 32 TRP CZ2 . 18841 1 378 . 1 1 32 32 TRP CZ3 C 13 122.081 0.04 . 1 . . 634 . . 32 TRP CZ3 . 18841 1 379 . 1 1 32 32 TRP CH2 C 13 124.353 0.04 . 1 . . 632 . . 32 TRP CH2 . 18841 1 380 . 1 1 32 32 TRP N N 15 122.277 0.04 . 1 . . 44 . . 32 TRP N . 18841 1 381 . 1 1 32 32 TRP NE1 N 15 129.581 0.04 . 1 . . 57 . . 32 TRP NE1 . 18841 1 382 . 1 1 33 33 LEU H H 1 8.206 0.008 . 1 . . 25 . . 33 LEU H . 18841 1 383 . 1 1 33 33 LEU HA H 1 3.661 0.008 . 1 . . 370 . . 33 LEU HA . 18841 1 384 . 1 1 33 33 LEU HB2 H 1 1.501 0.008 . 1 . . 509 . . 33 LEU HB2 . 18841 1 385 . 1 1 33 33 LEU HB3 H 1 1.501 0.008 . 1 . . 371 . . 33 LEU HB3 . 18841 1 386 . 1 1 33 33 LEU HG H 1 1.472 0.008 . 1 . . 687 . . 33 LEU HG . 18841 1 387 . 1 1 33 33 LEU HD11 H 1 0.829 0.008 . 1 . . 685 . . 33 LEU HD11 . 18841 1 388 . 1 1 33 33 LEU HD12 H 1 0.829 0.008 . 1 . . 685 . . 33 LEU HD12 . 18841 1 389 . 1 1 33 33 LEU HD13 H 1 0.829 0.008 . 1 . . 685 . . 33 LEU HD13 . 18841 1 390 . 1 1 33 33 LEU HD21 H 1 0.834 0.008 . 1 . . 686 . . 33 LEU HD21 . 18841 1 391 . 1 1 33 33 LEU HD22 H 1 0.834 0.008 . 1 . . 686 . . 33 LEU HD22 . 18841 1 392 . 1 1 33 33 LEU HD23 H 1 0.834 0.008 . 1 . . 686 . . 33 LEU HD23 . 18841 1 393 . 1 1 33 33 LEU C C 13 178.681 0.04 . 1 . . 369 . . 33 LEU C . 18841 1 394 . 1 1 33 33 LEU CA C 13 56.929 0.04 . 1 . . 153 . . 33 LEU CA . 18841 1 395 . 1 1 33 33 LEU CB C 13 42.202 0.04 . 1 . . 152 . . 33 LEU CB . 18841 1 396 . 1 1 33 33 LEU CG C 13 26.746 0.04 . 1 . . 573 . . 33 LEU CG . 18841 1 397 . 1 1 33 33 LEU CD1 C 13 24.097 0.04 . 2 . . 575 . . 33 LEU CD1 . 18841 1 398 . 1 1 33 33 LEU CD2 C 13 24.886 0.04 . 2 . . 574 . . 33 LEU CD2 . 18841 1 399 . 1 1 33 33 LEU N N 15 120.308 0.04 . 1 . . 26 . . 33 LEU N . 18841 1 400 . 1 1 34 34 ARG H H 1 7.821 0.008 . 1 . . 88 . . 34 ARG H . 18841 1 401 . 1 1 34 34 ARG HA H 1 4.012 0.008 . 1 . . 373 . . 34 ARG HA . 18841 1 402 . 1 1 34 34 ARG HB2 H 1 1.839 0.008 . 1 . . 374 . . 34 ARG HB2 . 18841 1 403 . 1 1 34 34 ARG HB3 H 1 1.839 0.008 . 1 . . 510 . . 34 ARG HB3 . 18841 1 404 . 1 1 34 34 ARG HG2 H 1 1.596 0.008 . 2 . . 690 . . 34 ARG HG2 . 18841 1 405 . 1 1 34 34 ARG HG3 H 1 1.721 0.008 . 2 . . 691 . . 34 ARG HG3 . 18841 1 406 . 1 1 34 34 ARG HD2 H 1 3.176 0.008 . 1 . . 688 . . 34 ARG HD2 . 18841 1 407 . 1 1 34 34 ARG HD3 H 1 3.176 0.008 . 1 . . 689 . . 34 ARG HD3 . 18841 1 408 . 1 1 34 34 ARG C C 13 177.566 0.04 . 1 . . 372 . . 34 ARG C . 18841 1 409 . 1 1 34 34 ARG CA C 13 58.038 0.04 . 1 . . 150 . . 34 ARG CA . 18841 1 410 . 1 1 34 34 ARG CB C 13 30.368 0.04 . 1 . . 151 . . 34 ARG CB . 18841 1 411 . 1 1 34 34 ARG CG C 13 27.515 0.04 . 1 . . 577 . . 34 ARG CG . 18841 1 412 . 1 1 34 34 ARG CD C 13 43.482 0.04 . 1 . . 576 . . 34 ARG CD . 18841 1 413 . 1 1 34 34 ARG N N 15 118.304 0.04 . 1 . . 89 . . 34 ARG N . 18841 1 414 . 1 1 35 35 ALA H H 1 7.753 0.008 . 1 . . 99 . . 35 ALA H . 18841 1 415 . 1 1 35 35 ALA HA H 1 4.190 0.008 . 1 . . 376 . . 35 ALA HA . 18841 1 416 . 1 1 35 35 ALA HB1 H 1 1.399 0.008 . 1 . . 377 . . 35 ALA HB1 . 18841 1 417 . 1 1 35 35 ALA HB2 H 1 1.399 0.008 . 1 . . 377 . . 35 ALA HB2 . 18841 1 418 . 1 1 35 35 ALA HB3 H 1 1.399 0.008 . 1 . . 377 . . 35 ALA HB3 . 18841 1 419 . 1 1 35 35 ALA C C 13 178.657 0.04 . 1 . . 375 . . 35 ALA C . 18841 1 420 . 1 1 35 35 ALA CA C 13 53.504 0.04 . 1 . . 148 . . 35 ALA CA . 18841 1 421 . 1 1 35 35 ALA CB C 13 18.728 0.04 . 1 . . 149 . . 35 ALA CB . 18841 1 422 . 1 1 35 35 ALA N N 15 121.975 0.04 . 1 . . 100 . . 35 ALA N . 18841 1 423 . 1 1 36 36 LYS H H 1 7.865 0.008 . 1 . . 1 . . 36 LYS H . 18841 1 424 . 1 1 36 36 LYS HA H 1 4.050 0.008 . 1 . . 380 . . 36 LYS HA . 18841 1 425 . 1 1 36 36 LYS HB2 H 1 1.490 0.008 . 2 . . 382 . . 36 LYS HB2 . 18841 1 426 . 1 1 36 36 LYS HB3 H 1 1.605 0.008 . 2 . . 381 . . 36 LYS HB3 . 18841 1 427 . 1 1 36 36 LYS HG2 H 1 1.120 0.008 . 1 . . 696 . . 36 LYS HG2 . 18841 1 428 . 1 1 36 36 LYS HG3 H 1 1.120 0.008 . 1 . . 693 . . 36 LYS HG3 . 18841 1 429 . 1 1 36 36 LYS HD2 H 1 1.392 0.008 . 1 . . 757 . . 36 LYS HD2 . 18841 1 430 . 1 1 36 36 LYS HD3 H 1 1.392 0.008 . 1 . . 756 . . 36 LYS HD3 . 18841 1 431 . 1 1 36 36 LYS HE2 H 1 2.810 0.008 . 2 . . 692 . . 36 LYS HE2 . 18841 1 432 . 1 1 36 36 LYS HE3 H 1 2.726 0.008 . 2 . . 755 . . 36 LYS HE3 . 18841 1 433 . 1 1 36 36 LYS C C 13 177.677 0.04 . 1 . . 379 . . 36 LYS C . 18841 1 434 . 1 1 36 36 LYS CA C 13 57.190 0.04 . 1 . . 163 . . 36 LYS CA . 18841 1 435 . 1 1 36 36 LYS CB C 13 32.301 0.04 . 1 . . 162 . . 36 LYS CB . 18841 1 436 . 1 1 36 36 LYS CG C 13 24.244 0.04 . 1 . . 580 . . 36 LYS CG . 18841 1 437 . 1 1 36 36 LYS CD C 13 28.841 0.04 . 1 . . 579 . . 36 LYS CD . 18841 1 438 . 1 1 36 36 LYS CE C 13 42.006 0.04 . 1 . . 578 . . 36 LYS CE . 18841 1 439 . 1 1 36 36 LYS N N 15 119.364 0.04 . 1 . . 2 . . 36 LYS N . 18841 1 440 . 1 1 37 37 VAL H H 1 7.890 0.008 . 1 . . 142 . . 37 VAL H . 18841 1 441 . 1 1 37 37 VAL HA H 1 3.972 0.008 . 1 . . 384 . . 37 VAL HA . 18841 1 442 . 1 1 37 37 VAL HB H 1 2.089 0.008 . 1 . . 385 . . 37 VAL HB . 18841 1 443 . 1 1 37 37 VAL HG11 H 1 0.917 0.008 . 1 . . 698 . . 37 VAL HG11 . 18841 1 444 . 1 1 37 37 VAL HG12 H 1 0.917 0.008 . 1 . . 698 . . 37 VAL HG12 . 18841 1 445 . 1 1 37 37 VAL HG13 H 1 0.917 0.008 . 1 . . 698 . . 37 VAL HG13 . 18841 1 446 . 1 1 37 37 VAL HG21 H 1 0.917 0.008 . 1 . . 697 . . 37 VAL HG21 . 18841 1 447 . 1 1 37 37 VAL HG22 H 1 0.917 0.008 . 1 . . 697 . . 37 VAL HG22 . 18841 1 448 . 1 1 37 37 VAL HG23 H 1 0.917 0.008 . 1 . . 697 . . 37 VAL HG23 . 18841 1 449 . 1 1 37 37 VAL C C 13 176.618 0.04 . 1 . . 383 . . 37 VAL C . 18841 1 450 . 1 1 37 37 VAL CA C 13 63.240 0.04 . 1 . . 161 . . 37 VAL CA . 18841 1 451 . 1 1 37 37 VAL CB C 13 32.481 0.04 . 1 . . 378 . . 37 VAL CB . 18841 1 452 . 1 1 37 37 VAL CG1 C 13 21.110 0.04 . 1 . . 581 . . 37 VAL CG1 . 18841 1 453 . 1 1 37 37 VAL CG2 C 13 21.110 0.04 . 1 . . 582 . . 37 VAL CG2 . 18841 1 454 . 1 1 37 37 VAL N N 15 119.260 0.04 . 1 . . 143 . . 37 VAL N . 18841 1 455 . 1 1 38 38 ALA H H 1 8.113 0.008 . 1 . . 130 . . 38 ALA H . 18841 1 456 . 1 1 38 38 ALA HA H 1 4.310 0.008 . 1 . . 387 . . 38 ALA HA . 18841 1 457 . 1 1 38 38 ALA HB1 H 1 1.439 0.008 . 1 . . 388 . . 38 ALA HB1 . 18841 1 458 . 1 1 38 38 ALA HB2 H 1 1.439 0.008 . 1 . . 388 . . 38 ALA HB2 . 18841 1 459 . 1 1 38 38 ALA HB3 H 1 1.439 0.008 . 1 . . 388 . . 38 ALA HB3 . 18841 1 460 . 1 1 38 38 ALA C C 13 178.479 0.04 . 1 . . 386 . . 38 ALA C . 18841 1 461 . 1 1 38 38 ALA CA C 13 53.334 0.04 . 1 . . 157 . . 38 ALA CA . 18841 1 462 . 1 1 38 38 ALA CB C 13 19.089 0.04 . 1 . . 156 . . 38 ALA CB . 18841 1 463 . 1 1 38 38 ALA N N 15 125.467 0.04 . 1 . . 131 . . 38 ALA N . 18841 1 464 . 1 1 39 39 THR H H 1 8.007 0.008 . 1 . . 81 . . 39 THR H . 18841 1 465 . 1 1 39 39 THR HA H 1 4.296 0.008 . 1 . . 390 . . 39 THR HA . 18841 1 466 . 1 1 39 39 THR HB H 1 4.274 0.008 . 1 . . 500 . . 39 THR HB . 18841 1 467 . 1 1 39 39 THR HG21 H 1 1.233 0.008 . 1 . . 699 . . 39 THR HG21 . 18841 1 468 . 1 1 39 39 THR HG22 H 1 1.233 0.008 . 1 . . 699 . . 39 THR HG22 . 18841 1 469 . 1 1 39 39 THR HG23 H 1 1.233 0.008 . 1 . . 699 . . 39 THR HG23 . 18841 1 470 . 1 1 39 39 THR C C 13 174.926 0.04 . 1 . . 389 . . 39 THR C . 18841 1 471 . 1 1 39 39 THR CA C 13 62.564 0.04 . 1 . . 158 . . 39 THR CA . 18841 1 472 . 1 1 39 39 THR CB C 13 69.696 0.04 . 1 . . 159 . . 39 THR CB . 18841 1 473 . 1 1 39 39 THR CG2 C 13 21.703 0.04 . 1 . . 583 . . 39 THR CG2 . 18841 1 474 . 1 1 39 39 THR N N 15 112.458 0.04 . 1 . . 82 . . 39 THR N . 18841 1 475 . 1 1 40 40 SER H H 1 8.159 0.008 . 1 . . 62 . . 40 SER H . 18841 1 476 . 1 1 40 40 SER HA H 1 4.476 0.008 . 1 . . 392 . . 40 SER HA . 18841 1 477 . 1 1 40 40 SER HB2 H 1 3.917 0.008 . 1 . . 511 . . 40 SER HB2 . 18841 1 478 . 1 1 40 40 SER HB3 H 1 3.917 0.008 . 1 . . 393 . . 40 SER HB3 . 18841 1 479 . 1 1 40 40 SER C C 13 174.710 0.04 . 1 . . 391 . . 40 SER C . 18841 1 480 . 1 1 40 40 SER CA C 13 58.730 0.04 . 1 . . 232 . . 40 SER CA . 18841 1 481 . 1 1 40 40 SER CB C 13 63.853 0.04 . 1 . . 233 . . 40 SER CB . 18841 1 482 . 1 1 40 40 SER N N 15 117.702 0.04 . 1 . . 63 . . 40 SER N . 18841 1 483 . 1 1 41 41 LEU H H 1 8.134 0.008 . 1 . . 108 . . 41 LEU H . 18841 1 484 . 1 1 41 41 LEU HA H 1 4.321 0.008 . 1 . . 395 . . 41 LEU HA . 18841 1 485 . 1 1 41 41 LEU HB2 H 1 1.658 0.008 . 2 . . 758 . . 41 LEU HB2 . 18841 1 486 . 1 1 41 41 LEU HB3 H 1 1.595 0.008 . 2 . . 396 . . 41 LEU HB3 . 18841 1 487 . 1 1 41 41 LEU HG H 1 1.596 0.008 . 1 . . 702 . . 41 LEU HG . 18841 1 488 . 1 1 41 41 LEU HD11 H 1 0.865 0.008 . 2 . . 701 . . 41 LEU HD11 . 18841 1 489 . 1 1 41 41 LEU HD12 H 1 0.865 0.008 . 2 . . 701 . . 41 LEU HD12 . 18841 1 490 . 1 1 41 41 LEU HD13 H 1 0.865 0.008 . 2 . . 701 . . 41 LEU HD13 . 18841 1 491 . 1 1 41 41 LEU HD21 H 1 0.920 0.008 . 2 . . 700 . . 41 LEU HD21 . 18841 1 492 . 1 1 41 41 LEU HD22 H 1 0.920 0.008 . 2 . . 700 . . 41 LEU HD22 . 18841 1 493 . 1 1 41 41 LEU HD23 H 1 0.920 0.008 . 2 . . 700 . . 41 LEU HD23 . 18841 1 494 . 1 1 41 41 LEU C C 13 177.056 0.04 . 1 . . 394 . . 41 LEU C . 18841 1 495 . 1 1 41 41 LEU CA C 13 55.451 0.04 . 1 . . 234 . . 41 LEU CA . 18841 1 496 . 1 1 41 41 LEU CB C 13 42.324 0.04 . 1 . . 235 . . 41 LEU CB . 18841 1 497 . 1 1 41 41 LEU CG C 13 27.067 0.04 . 1 . . 584 . . 41 LEU CG . 18841 1 498 . 1 1 41 41 LEU CD1 C 13 23.396 0.04 . 2 . . 586 . . 41 LEU CD1 . 18841 1 499 . 1 1 41 41 LEU CD2 C 13 25.135 0.04 . 2 . . 585 . . 41 LEU CD2 . 18841 1 500 . 1 1 41 41 LEU N N 15 123.550 0.04 . 1 . . 109 . . 41 LEU N . 18841 1 501 . 1 1 42 42 ALA H H 1 8.029 0.008 . 1 . . 112 . . 42 ALA H . 18841 1 502 . 1 1 42 42 ALA HA H 1 4.296 0.008 . 1 . . 399 . . 42 ALA HA . 18841 1 503 . 1 1 42 42 ALA HB1 H 1 1.374 0.008 . 1 . . 400 . . 42 ALA HB1 . 18841 1 504 . 1 1 42 42 ALA HB2 H 1 1.374 0.008 . 1 . . 400 . . 42 ALA HB2 . 18841 1 505 . 1 1 42 42 ALA HB3 H 1 1.374 0.008 . 1 . . 400 . . 42 ALA HB3 . 18841 1 506 . 1 1 42 42 ALA C C 13 177.101 0.04 . 1 . . 398 . . 42 ALA C . 18841 1 507 . 1 1 42 42 ALA CA C 13 52.397 0.04 . 1 . . 237 . . 42 ALA CA . 18841 1 508 . 1 1 42 42 ALA CB C 13 19.396 0.04 . 1 . . 236 . . 42 ALA CB . 18841 1 509 . 1 1 42 42 ALA N N 15 123.393 0.04 . 1 . . 113 . . 42 ALA N . 18841 1 510 . 1 1 43 43 ASP H H 1 8.031 0.008 . 1 . . 120 . . 43 ASP H . 18841 1 511 . 1 1 43 43 ASP HA H 1 4.834 0.008 . 1 . . 773 . . 43 ASP HA . 18841 1 512 . 1 1 43 43 ASP HB2 H 1 2.746 0.008 . 2 . . 775 . . 43 ASP HB2 . 18841 1 513 . 1 1 43 43 ASP HB3 H 1 2.518 0.008 . 2 . . 774 . . 43 ASP HB3 . 18841 1 514 . 1 1 43 43 ASP CA C 13 52.223 0.04 . 1 . . 501 . . 43 ASP CA . 18841 1 515 . 1 1 43 43 ASP CB C 13 41.148 0.04 . 1 . . 397 . . 43 ASP CB . 18841 1 516 . 1 1 43 43 ASP N N 15 120.615 0.04 . 1 . . 121 . . 43 ASP N . 18841 1 517 . 1 1 44 44 PRO HA H 1 4.458 0.008 . 1 . . 404 . . 44 PRO HA . 18841 1 518 . 1 1 44 44 PRO HB2 H 1 1.949 0.008 . 2 . . 406 . . 44 PRO HB2 . 18841 1 519 . 1 1 44 44 PRO HB3 H 1 2.256 0.008 . 2 . . 405 . . 44 PRO HB3 . 18841 1 520 . 1 1 44 44 PRO HG2 H 1 2.000 0.008 . 1 . . 706 . . 44 PRO HG2 . 18841 1 521 . 1 1 44 44 PRO HG3 H 1 2.000 0.008 . 1 . . 705 . . 44 PRO HG3 . 18841 1 522 . 1 1 44 44 PRO HD2 H 1 3.614 0.008 . 2 . . 784 . . 44 PRO HD2 . 18841 1 523 . 1 1 44 44 PRO HD3 H 1 3.775 0.008 . 2 . . 707 . . 44 PRO HD3 . 18841 1 524 . 1 1 44 44 PRO C C 13 176.864 0.04 . 1 . . 401 . . 44 PRO C . 18841 1 525 . 1 1 44 44 PRO CA C 13 63.229 0.04 . 1 . . 512 . . 44 PRO CA . 18841 1 526 . 1 1 44 44 PRO CB C 13 32.164 0.04 . 1 . . 513 . . 44 PRO CB . 18841 1 527 . 1 1 44 44 PRO CG C 13 27.171 0.04 . 1 . . 588 . . 44 PRO CG . 18841 1 528 . 1 1 44 44 PRO CD C 13 50.574 0.04 . 1 . . 587 . . 44 PRO CD . 18841 1 529 . 1 1 45 45 ARG H H 1 8.357 0.008 . 1 . . 47 . . 45 ARG H . 18841 1 530 . 1 1 45 45 ARG CA C 13 54.131 0.04 . 1 . . 402 . . 45 ARG CA . 18841 1 531 . 1 1 45 45 ARG CB C 13 30.169 0.04 . 1 . . 403 . . 45 ARG CB . 18841 1 532 . 1 1 45 45 ARG N N 15 122.239 0.04 . 1 . . 48 . . 45 ARG N . 18841 1 533 . 1 1 46 46 PRO HA H 1 4.405 0.008 . 1 . . 408 . . 46 PRO HA . 18841 1 534 . 1 1 46 46 PRO HB2 H 1 1.897 0.008 . 2 . . 410 . . 46 PRO HB2 . 18841 1 535 . 1 1 46 46 PRO HB3 H 1 2.278 0.008 . 2 . . 409 . . 46 PRO HB3 . 18841 1 536 . 1 1 46 46 PRO HG2 H 1 2.002 0.008 . 1 . . 703 . . 46 PRO HG2 . 18841 1 537 . 1 1 46 46 PRO HG3 H 1 2.002 0.008 . 1 . . 704 . . 46 PRO HG3 . 18841 1 538 . 1 1 46 46 PRO HD2 H 1 3.772 0.008 . 2 . . 709 . . 46 PRO HD2 . 18841 1 539 . 1 1 46 46 PRO HD3 H 1 3.611 0.008 . 1 . . 708 . . 46 PRO HD3 . 18841 1 540 . 1 1 46 46 PRO C C 13 176.482 0.04 . 1 . . 407 . . 46 PRO C . 18841 1 541 . 1 1 46 46 PRO CA C 13 63.097 0.04 . 1 . . 515 . . 46 PRO CA . 18841 1 542 . 1 1 46 46 PRO CB C 13 32.153 0.04 . 1 . . 514 . . 46 PRO CB . 18841 1 543 . 1 1 46 46 PRO CG C 13 27.417 0.04 . 1 . . 590 . . 46 PRO CG . 18841 1 544 . 1 1 46 46 PRO CD C 13 50.487 0.04 . 1 . . 589 . . 46 PRO CD . 18841 1 545 . 1 1 47 47 ALA H H 1 8.352 0.008 . 1 . . 66 . . 47 ALA H . 18841 1 546 . 1 1 47 47 ALA HA H 1 4.313 0.008 . 1 . . 414 . . 47 ALA HA . 18841 1 547 . 1 1 47 47 ALA HB1 H 1 1.369 0.008 . 1 . . 415 . . 47 ALA HB1 . 18841 1 548 . 1 1 47 47 ALA HB2 H 1 1.369 0.008 . 1 . . 415 . . 47 ALA HB2 . 18841 1 549 . 1 1 47 47 ALA HB3 H 1 1.369 0.008 . 1 . . 415 . . 47 ALA HB3 . 18841 1 550 . 1 1 47 47 ALA C C 13 177.343 0.04 . 1 . . 411 . . 47 ALA C . 18841 1 551 . 1 1 47 47 ALA CA C 13 52.342 0.04 . 1 . . 253 . . 47 ALA CA . 18841 1 552 . 1 1 47 47 ALA CB C 13 19.191 0.04 . 1 . . 252 . . 47 ALA CB . 18841 1 553 . 1 1 47 47 ALA N N 15 124.297 0.04 . 1 . . 67 . . 47 ALA N . 18841 1 554 . 1 1 48 48 ILE H H 1 8.046 0.008 . 1 . . 41 . . 48 ILE H . 18841 1 555 . 1 1 48 48 ILE HA H 1 4.451 0.008 . 1 . . 765 . . 48 ILE HA . 18841 1 556 . 1 1 48 48 ILE HB H 1 1.814 0.008 . 1 . . 760 . . 48 ILE HB . 18841 1 557 . 1 1 48 48 ILE HG12 H 1 1.148 0.008 . 2 . . 762 . . 48 ILE HG12 . 18841 1 558 . 1 1 48 48 ILE HG13 H 1 1.480 0.008 . 2 . . 763 . . 48 ILE HG13 . 18841 1 559 . 1 1 48 48 ILE HG21 H 1 0.909 0.008 . 1 . . 769 . . 48 ILE HG21 . 18841 1 560 . 1 1 48 48 ILE HG22 H 1 0.909 0.008 . 1 . . 769 . . 48 ILE HG22 . 18841 1 561 . 1 1 48 48 ILE HG23 H 1 0.909 0.008 . 1 . . 769 . . 48 ILE HG23 . 18841 1 562 . 1 1 48 48 ILE HD11 H 1 0.839 0.008 . 1 . . 767 . . 48 ILE HD11 . 18841 1 563 . 1 1 48 48 ILE HD12 H 1 0.839 0.008 . 1 . . 767 . . 48 ILE HD12 . 18841 1 564 . 1 1 48 48 ILE HD13 H 1 0.839 0.008 . 1 . . 767 . . 48 ILE HD13 . 18841 1 565 . 1 1 48 48 ILE CA C 13 58.366 0.04 . 1 . . 412 . . 48 ILE CA . 18841 1 566 . 1 1 48 48 ILE CB C 13 38.854 0.04 . 1 . . 413 . . 48 ILE CB . 18841 1 567 . 1 1 48 48 ILE CG1 C 13 26.879 0.04 . 1 . . 761 . . 48 ILE CG1 . 18841 1 568 . 1 1 48 48 ILE CG2 C 13 17.314 0.04 . 1 . . 768 . . 48 ILE CG2 . 18841 1 569 . 1 1 48 48 ILE CD1 C 13 12.863 0.04 . 1 . . 766 . . 48 ILE CD1 . 18841 1 570 . 1 1 48 48 ILE N N 15 121.280 0.04 . 1 . . 42 . . 48 ILE N . 18841 1 571 . 1 1 49 49 PRO HA H 1 4.418 0.008 . 1 . . 417 . . 49 PRO HA . 18841 1 572 . 1 1 49 49 PRO HB2 H 1 1.950 0.008 . 2 . . 419 . . 49 PRO HB2 . 18841 1 573 . 1 1 49 49 PRO HB3 H 1 2.328 0.008 . 2 . . 418 . . 49 PRO HB3 . 18841 1 574 . 1 1 49 49 PRO HG2 H 1 2.056 0.008 . 2 . . 782 . . 49 PRO HG2 . 18841 1 575 . 1 1 49 49 PRO HG3 H 1 1.997 0.008 . 2 . . 710 . . 49 PRO HG3 . 18841 1 576 . 1 1 49 49 PRO HD2 H 1 3.651 0.008 . 2 . . 781 . . 49 PRO HD2 . 18841 1 577 . 1 1 49 49 PRO HD3 H 1 3.877 0.008 . 2 . . 711 . . 49 PRO HD3 . 18841 1 578 . 1 1 49 49 PRO C C 13 177.202 0.04 . 1 . . 416 . . 49 PRO C . 18841 1 579 . 1 1 49 49 PRO CA C 13 63.190 0.04 . 1 . . 517 . . 49 PRO CA . 18841 1 580 . 1 1 49 49 PRO CB C 13 32.360 0.04 . 1 . . 516 . . 49 PRO CB . 18841 1 581 . 1 1 49 49 PRO CG C 13 27.642 0.04 . 1 . . 591 . . 49 PRO CG . 18841 1 582 . 1 1 49 49 PRO CD C 13 51.102 0.04 . 1 . . 592 . . 49 PRO CD . 18841 1 583 . 1 1 50 50 HIS H H 1 8.661 0.008 . 1 . . 72 . . 50 HIS H . 18841 1 584 . 1 1 50 50 HIS HA H 1 4.504 0.008 . 1 . . 421 . . 50 HIS HA . 18841 1 585 . 1 1 50 50 HIS HB2 H 1 3.210 0.008 . 1 . . 422 . . 50 HIS HB2 . 18841 1 586 . 1 1 50 50 HIS HB3 H 1 3.210 0.008 . 1 . . 518 . . 50 HIS HB3 . 18841 1 587 . 1 1 50 50 HIS HD2 H 1 7.209 0.008 . 1 . . 543 . . 50 HIS HD2 . 18841 1 588 . 1 1 50 50 HIS HE1 H 1 8.209 0.008 . 1 . . 545 . . 50 HIS HE1 . 18841 1 589 . 1 1 50 50 HIS C C 13 175.463 0.04 . 1 . . 420 . . 50 HIS C . 18841 1 590 . 1 1 50 50 HIS CA C 13 57.487 0.04 . 1 . . 231 . . 50 HIS CA . 18841 1 591 . 1 1 50 50 HIS CB C 13 29.932 0.04 . 1 . . 230 . . 50 HIS CB . 18841 1 592 . 1 1 50 50 HIS CD2 C 13 120.151 0.04 . 1 . . 638 . . 50 HIS CD2 . 18841 1 593 . 1 1 50 50 HIS CE1 C 13 137.537 0.04 . 1 . . 544 . . 50 HIS CE1 . 18841 1 594 . 1 1 50 50 HIS N N 15 120.377 0.04 . 1 . . 73 . . 50 HIS N . 18841 1 595 . 1 1 51 51 ASP H H 1 8.447 0.008 . 1 . . 70 . . 51 ASP H . 18841 1 596 . 1 1 51 51 ASP HA H 1 4.522 0.008 . 1 . . 424 . . 51 ASP HA . 18841 1 597 . 1 1 51 51 ASP HB2 H 1 2.705 0.008 . 1 . . 425 . . 51 ASP HB2 . 18841 1 598 . 1 1 51 51 ASP HB3 H 1 2.705 0.008 . 1 . . 519 . . 51 ASP HB3 . 18841 1 599 . 1 1 51 51 ASP C C 13 176.950 0.04 . 1 . . 423 . . 51 ASP C . 18841 1 600 . 1 1 51 51 ASP CA C 13 54.980 0.04 . 1 . . 229 . . 51 ASP CA . 18841 1 601 . 1 1 51 51 ASP CB C 13 40.931 0.04 . 1 . . 228 . . 51 ASP CB . 18841 1 602 . 1 1 51 51 ASP N N 15 119.398 0.04 . 1 . . 71 . . 51 ASP N . 18841 1 603 . 1 1 52 52 GLU H H 1 8.194 0.008 . 1 . . 37 . . 52 GLU H . 18841 1 604 . 1 1 52 52 GLU HA H 1 4.230 0.008 . 1 . . 427 . . 52 GLU HA . 18841 1 605 . 1 1 52 52 GLU HB2 H 1 2.063 0.008 . 1 . . 520 . . 52 GLU HB2 . 18841 1 606 . 1 1 52 52 GLU HB3 H 1 2.063 0.008 . 1 . . 428 . . 52 GLU HB3 . 18841 1 607 . 1 1 52 52 GLU HG2 H 1 2.292 0.008 . 1 . . 712 . . 52 GLU HG2 . 18841 1 608 . 1 1 52 52 GLU HG3 H 1 2.292 0.008 . 1 . . 713 . . 52 GLU HG3 . 18841 1 609 . 1 1 52 52 GLU C C 13 177.645 0.04 . 1 . . 426 . . 52 GLU C . 18841 1 610 . 1 1 52 52 GLU CA C 13 58.012 0.04 . 1 . . 498 . . 52 GLU CA . 18841 1 611 . 1 1 52 52 GLU CB C 13 29.814 0.04 . 1 . . 497 . . 52 GLU CB . 18841 1 612 . 1 1 52 52 GLU CG C 13 35.976 0.04 . 1 . . 593 . . 52 GLU CG . 18841 1 613 . 1 1 52 52 GLU N N 15 121.363 0.04 . 1 . . 38 . . 52 GLU N . 18841 1 614 . 1 1 53 53 VAL H H 1 7.897 0.008 . 1 . . 85 . . 53 VAL H . 18841 1 615 . 1 1 53 53 VAL HA H 1 3.700 0.008 . 1 . . 429 . . 53 VAL HA . 18841 1 616 . 1 1 53 53 VAL HB H 1 2.146 0.008 . 1 . . 430 . . 53 VAL HB . 18841 1 617 . 1 1 53 53 VAL HG11 H 1 0.998 0.008 . 2 . . 776 . . 53 VAL HG11 . 18841 1 618 . 1 1 53 53 VAL HG12 H 1 0.998 0.008 . 2 . . 776 . . 53 VAL HG12 . 18841 1 619 . 1 1 53 53 VAL HG13 H 1 0.998 0.008 . 2 . . 776 . . 53 VAL HG13 . 18841 1 620 . 1 1 53 53 VAL HG21 H 1 0.935 0.008 . 2 . . 777 . . 53 VAL HG21 . 18841 1 621 . 1 1 53 53 VAL HG22 H 1 0.935 0.008 . 2 . . 777 . . 53 VAL HG22 . 18841 1 622 . 1 1 53 53 VAL HG23 H 1 0.935 0.008 . 2 . . 777 . . 53 VAL HG23 . 18841 1 623 . 1 1 53 53 VAL C C 13 176.307 0.04 . 1 . . 499 . . 53 VAL C . 18841 1 624 . 1 1 53 53 VAL CA C 13 65.527 0.04 . 1 . . 226 . . 53 VAL CA . 18841 1 625 . 1 1 53 53 VAL CB C 13 31.928 0.04 . 1 . . 227 . . 53 VAL CB . 18841 1 626 . 1 1 53 53 VAL CG1 C 13 22.197 0.04 . 2 . . 594 . . 53 VAL CG1 . 18841 1 627 . 1 1 53 53 VAL CG2 C 13 21.203 0.04 . 2 . . 595 . . 53 VAL CG2 . 18841 1 628 . 1 1 53 53 VAL N N 15 120.818 0.04 . 1 . . 86 . . 53 VAL N . 18841 1 629 . 1 1 54 54 GLU H H 1 8.264 0.008 . 1 . . 101 . . 54 GLU H . 18841 1 630 . 1 1 54 54 GLU HA H 1 4.054 0.008 . 1 . . 432 . . 54 GLU HA . 18841 1 631 . 1 1 54 54 GLU HB2 H 1 2.052 0.008 . 1 . . 433 . . 54 GLU HB2 . 18841 1 632 . 1 1 54 54 GLU HB3 H 1 2.052 0.008 . 1 . . 521 . . 54 GLU HB3 . 18841 1 633 . 1 1 54 54 GLU HG2 H 1 2.259 0.008 . 1 . . 715 . . 54 GLU HG2 . 18841 1 634 . 1 1 54 54 GLU HG3 H 1 2.259 0.008 . 1 . . 714 . . 54 GLU HG3 . 18841 1 635 . 1 1 54 54 GLU C C 13 178.579 0.04 . 1 . . 431 . . 54 GLU C . 18841 1 636 . 1 1 54 54 GLU CA C 13 58.850 0.04 . 1 . . 225 . . 54 GLU CA . 18841 1 637 . 1 1 54 54 GLU CB C 13 29.656 0.04 . 1 . . 224 . . 54 GLU CB . 18841 1 638 . 1 1 54 54 GLU CG C 13 36.535 0.04 . 1 . . 596 . . 54 GLU CG . 18841 1 639 . 1 1 54 54 GLU N N 15 120.842 0.04 . 1 . . 102 . . 54 GLU N . 18841 1 640 . 1 1 55 55 ARG H H 1 8.142 0.008 . 1 . . 60 . . 55 ARG H . 18841 1 641 . 1 1 55 55 ARG HA H 1 4.133 0.008 . 1 . . 435 . . 55 ARG HA . 18841 1 642 . 1 1 55 55 ARG HB2 H 1 1.889 0.008 . 1 . . 436 . . 55 ARG HB2 . 18841 1 643 . 1 1 55 55 ARG HB3 H 1 1.889 0.008 . 1 . . 522 . . 55 ARG HB3 . 18841 1 644 . 1 1 55 55 ARG HG2 H 1 1.595 0.008 . 2 . . 718 . . 55 ARG HG2 . 18841 1 645 . 1 1 55 55 ARG HG3 H 1 1.725 0.008 . 2 . . 797 . . 55 ARG HG3 . 18841 1 646 . 1 1 55 55 ARG HD2 H 1 3.212 0.008 . 1 . . 716 . . 55 ARG HD2 . 18841 1 647 . 1 1 55 55 ARG HD3 H 1 3.212 0.008 . 1 . . 717 . . 55 ARG HD3 . 18841 1 648 . 1 1 55 55 ARG C C 13 178.259 0.04 . 1 . . 434 . . 55 ARG C . 18841 1 649 . 1 1 55 55 ARG CA C 13 58.716 0.04 . 1 . . 222 . . 55 ARG CA . 18841 1 650 . 1 1 55 55 ARG CB C 13 30.318 0.04 . 1 . . 223 . . 55 ARG CB . 18841 1 651 . 1 1 55 55 ARG CG C 13 27.503 0.04 . 1 . . 597 . . 55 ARG CG . 18841 1 652 . 1 1 55 55 ARG CD C 13 43.328 0.04 . 1 . . 600 . . 55 ARG CD . 18841 1 653 . 1 1 55 55 ARG N N 15 120.837 0.04 . 1 . . 61 . . 55 ARG N . 18841 1 654 . 1 1 56 56 ARG H H 1 8.225 0.008 . 1 . . 39 . . 56 ARG H . 18841 1 655 . 1 1 56 56 ARG HA H 1 4.161 0.008 . 1 . . 438 . . 56 ARG HA . 18841 1 656 . 1 1 56 56 ARG HB2 H 1 1.906 0.008 . 1 . . 523 . . 56 ARG HB2 . 18841 1 657 . 1 1 56 56 ARG HB3 H 1 1.906 0.008 . 1 . . 439 . . 56 ARG HB3 . 18841 1 658 . 1 1 56 56 ARG HG2 H 1 1.785 0.008 . 2 . . 721 . . 56 ARG HG2 . 18841 1 659 . 1 1 56 56 ARG HG3 H 1 1.672 0.008 . 2 . . 798 . . 56 ARG HG3 . 18841 1 660 . 1 1 56 56 ARG HD2 H 1 3.208 0.008 . 1 . . 720 . . 56 ARG HD2 . 18841 1 661 . 1 1 56 56 ARG HD3 H 1 3.208 0.008 . 1 . . 719 . . 56 ARG HD3 . 18841 1 662 . 1 1 56 56 ARG C C 13 178.844 0.04 . 1 . . 437 . . 56 ARG C . 18841 1 663 . 1 1 56 56 ARG CA C 13 58.434 0.04 . 1 . . 221 . . 56 ARG CA . 18841 1 664 . 1 1 56 56 ARG CB C 13 30.237 0.04 . 1 . . 220 . . 56 ARG CB . 18841 1 665 . 1 1 56 56 ARG CG C 13 27.570 0.04 . 1 . . 599 . . 56 ARG CG . 18841 1 666 . 1 1 56 56 ARG CD C 13 43.518 0.04 . 1 . . 598 . . 56 ARG CD . 18841 1 667 . 1 1 56 56 ARG N N 15 119.633 0.04 . 1 . . 40 . . 56 ARG N . 18841 1 668 . 1 1 57 57 MET H H 1 8.241 0.008 . 1 . . 21 . . 57 MET H . 18841 1 669 . 1 1 57 57 MET HA H 1 4.227 0.008 . 1 . . 441 . . 57 MET HA . 18841 1 670 . 1 1 57 57 MET HB2 H 1 2.107 0.008 . 2 . . 442 . . 57 MET HB2 . 18841 1 671 . 1 1 57 57 MET HB3 H 1 2.014 0.008 . 2 . . 443 . . 57 MET HB3 . 18841 1 672 . 1 1 57 57 MET HG2 H 1 2.624 0.008 . 2 . . 778 . . 57 MET HG2 . 18841 1 673 . 1 1 57 57 MET HG3 H 1 2.538 0.008 . 2 . . 780 . . 57 MET HG3 . 18841 1 674 . 1 1 57 57 MET HE1 H 1 2.047 0.008 . 1 . . 799 . . 57 MET HE1 . 18841 1 675 . 1 1 57 57 MET HE2 H 1 2.047 0.008 . 1 . . 799 . . 57 MET HE2 . 18841 1 676 . 1 1 57 57 MET HE3 H 1 2.047 0.008 . 1 . . 799 . . 57 MET HE3 . 18841 1 677 . 1 1 57 57 MET C C 13 177.455 0.04 . 1 . . 440 . . 57 MET C . 18841 1 678 . 1 1 57 57 MET CA C 13 57.551 0.04 . 1 . . 219 . . 57 MET CA . 18841 1 679 . 1 1 57 57 MET CB C 13 32.234 0.04 . 1 . . 218 . . 57 MET CB . 18841 1 680 . 1 1 57 57 MET CG C 13 32.246 0.04 . 1 . . 779 . . 57 MET CG . 18841 1 681 . 1 1 57 57 MET CE C 13 17.072 0.04 . 1 . . 800 . . 57 MET CE . 18841 1 682 . 1 1 57 57 MET N N 15 119.782 0.04 . 1 . . 22 . . 57 MET N . 18841 1 683 . 1 1 58 58 ALA H H 1 8.141 0.008 . 1 . . 93 . . 58 ALA H . 18841 1 684 . 1 1 58 58 ALA HA H 1 4.204 0.008 . 1 . . 445 . . 58 ALA HA . 18841 1 685 . 1 1 58 58 ALA HB1 H 1 1.531 0.008 . 1 . . 446 . . 58 ALA HB1 . 18841 1 686 . 1 1 58 58 ALA HB2 H 1 1.531 0.008 . 1 . . 446 . . 58 ALA HB2 . 18841 1 687 . 1 1 58 58 ALA HB3 H 1 1.531 0.008 . 1 . . 446 . . 58 ALA HB3 . 18841 1 688 . 1 1 58 58 ALA C C 13 180.123 0.04 . 1 . . 444 . . 58 ALA C . 18841 1 689 . 1 1 58 58 ALA CA C 13 54.662 0.04 . 1 . . 216 . . 58 ALA CA . 18841 1 690 . 1 1 58 58 ALA CB C 13 18.391 0.04 . 1 . . 217 . . 58 ALA CB . 18841 1 691 . 1 1 58 58 ALA N N 15 122.698 0.04 . 1 . . 94 . . 58 ALA N . 18841 1 692 . 1 1 59 59 GLU H H 1 8.157 0.008 . 1 . . 29 . . 59 GLU H . 18841 1 693 . 1 1 59 59 GLU HA H 1 4.152 0.008 . 1 . . 448 . . 59 GLU HA . 18841 1 694 . 1 1 59 59 GLU HB2 H 1 2.095 0.008 . 1 . . 449 . . 59 GLU HB2 . 18841 1 695 . 1 1 59 59 GLU HB3 H 1 2.095 0.008 . 1 . . 524 . . 59 GLU HB3 . 18841 1 696 . 1 1 59 59 GLU HG2 H 1 2.419 0.008 . 2 . . 796 . . 59 GLU HG2 . 18841 1 697 . 1 1 59 59 GLU HG3 H 1 2.275 0.008 . 2 . . 722 . . 59 GLU HG3 . 18841 1 698 . 1 1 59 59 GLU C C 13 178.258 0.04 . 1 . . 447 . . 59 GLU C . 18841 1 699 . 1 1 59 59 GLU CA C 13 58.503 0.04 . 1 . . 215 . . 59 GLU CA . 18841 1 700 . 1 1 59 59 GLU CB C 13 29.779 0.04 . 1 . . 214 . . 59 GLU CB . 18841 1 701 . 1 1 59 59 GLU CG C 13 36.503 0.04 . 1 . . 601 . . 59 GLU CG . 18841 1 702 . 1 1 59 59 GLU N N 15 119.113 0.04 . 1 . . 30 . . 59 GLU N . 18841 1 703 . 1 1 60 60 ARG H H 1 7.932 0.008 . 1 . . 132 . . 60 ARG H . 18841 1 704 . 1 1 60 60 ARG HA H 1 4.102 0.008 . 1 . . 451 . . 60 ARG HA . 18841 1 705 . 1 1 60 60 ARG HB2 H 1 1.810 0.008 . 1 . . 525 . . 60 ARG HB2 . 18841 1 706 . 1 1 60 60 ARG HB3 H 1 1.810 0.008 . 1 . . 452 . . 60 ARG HB3 . 18841 1 707 . 1 1 60 60 ARG HG2 H 1 1.591 0.008 . 2 . . 723 . . 60 ARG HG2 . 18841 1 708 . 1 1 60 60 ARG HG3 H 1 1.465 0.008 . 2 . . 815 . . 60 ARG HG3 . 18841 1 709 . 1 1 60 60 ARG HD2 H 1 3.101 0.008 . 1 . . 724 . . 60 ARG HD2 . 18841 1 710 . 1 1 60 60 ARG HD3 H 1 3.101 0.008 . 1 . . 725 . . 60 ARG HD3 . 18841 1 711 . 1 1 60 60 ARG C C 13 178.066 0.04 . 1 . . 450 . . 60 ARG C . 18841 1 712 . 1 1 60 60 ARG CA C 13 58.437 0.04 . 1 . . 213 . . 60 ARG CA . 18841 1 713 . 1 1 60 60 ARG CB C 13 30.082 0.04 . 1 . . 212 . . 60 ARG CB . 18841 1 714 . 1 1 60 60 ARG CG C 13 27.170 0.04 . 1 . . 603 . . 60 ARG CG . 18841 1 715 . 1 1 60 60 ARG CD C 13 43.533 0.04 . 1 . . 602 . . 60 ARG CD . 18841 1 716 . 1 1 60 60 ARG N N 15 120.300 0.04 . 1 . . 133 . . 60 ARG N . 18841 1 717 . 1 1 61 61 PHE H H 1 8.192 0.008 . 1 . . 140 . . 61 PHE H . 18841 1 718 . 1 1 61 61 PHE HA H 1 4.504 0.008 . 1 . . 454 . . 61 PHE HA . 18841 1 719 . 1 1 61 61 PHE HB2 H 1 3.205 0.008 . 2 . . 455 . . 61 PHE HB2 . 18841 1 720 . 1 1 61 61 PHE HB3 H 1 3.066 0.008 . 2 . . 456 . . 61 PHE HB3 . 18841 1 721 . 1 1 61 61 PHE HD1 H 1 7.261 0.008 . 3 . . 540 . . 61 PHE HD1 . 18841 1 722 . 1 1 61 61 PHE HD2 H 1 7.261 0.008 . 3 . . 540 . . 61 PHE HD2 . 18841 1 723 . 1 1 61 61 PHE HE1 H 1 7.314 0.008 . 3 . . 541 . . 61 PHE HE1 . 18841 1 724 . 1 1 61 61 PHE HE2 H 1 7.314 0.008 . 3 . . 541 . . 61 PHE HE2 . 18841 1 725 . 1 1 61 61 PHE HZ H 1 7.270 0.008 . 1 . . 641 . . 61 PHE HZ . 18841 1 726 . 1 1 61 61 PHE C C 13 177.154 0.04 . 1 . . 453 . . 61 PHE C . 18841 1 727 . 1 1 61 61 PHE CA C 13 59.349 0.04 . 1 . . 211 . . 61 PHE CA . 18841 1 728 . 1 1 61 61 PHE CB C 13 38.790 0.04 . 1 . . 210 . . 61 PHE CB . 18841 1 729 . 1 1 61 61 PHE CD1 C 13 131.672 0.04 . 3 . . 630 . . 61 PHE CD1 . 18841 1 730 . 1 1 61 61 PHE CD2 C 13 131.672 0.04 . 3 . . 630 . . 61 PHE CD2 . 18841 1 731 . 1 1 61 61 PHE CE1 C 13 131.524 0.04 . 3 . . 546 . . 61 PHE CE1 . 18841 1 732 . 1 1 61 61 PHE CE2 C 13 131.524 0.04 . 3 . . 546 . . 61 PHE CE2 . 18841 1 733 . 1 1 61 61 PHE CZ C 13 129.808 0.04 . 1 . . 642 . . 61 PHE CZ . 18841 1 734 . 1 1 61 61 PHE N N 15 119.177 0.04 . 1 . . 141 . . 61 PHE N . 18841 1 735 . 1 1 62 62 ALA H H 1 8.069 0.008 . 1 . . 106 . . 62 ALA H . 18841 1 736 . 1 1 62 62 ALA HA H 1 4.183 0.008 . 1 . . 458 . . 62 ALA HA . 18841 1 737 . 1 1 62 62 ALA HB1 H 1 1.522 0.008 . 1 . . 459 . . 62 ALA HB1 . 18841 1 738 . 1 1 62 62 ALA HB2 H 1 1.522 0.008 . 1 . . 459 . . 62 ALA HB2 . 18841 1 739 . 1 1 62 62 ALA HB3 H 1 1.522 0.008 . 1 . . 459 . . 62 ALA HB3 . 18841 1 740 . 1 1 62 62 ALA C C 13 179.324 0.04 . 1 . . 457 . . 62 ALA C . 18841 1 741 . 1 1 62 62 ALA CA C 13 54.345 0.04 . 1 . . 209 . . 62 ALA CA . 18841 1 742 . 1 1 62 62 ALA CB C 13 18.680 0.04 . 1 . . 208 . . 62 ALA CB . 18841 1 743 . 1 1 62 62 ALA N N 15 122.604 0.04 . 1 . . 107 . . 62 ALA N . 18841 1 744 . 1 1 63 63 LYS H H 1 7.971 0.008 . 1 . . 97 . . 63 LYS H . 18841 1 745 . 1 1 63 63 LYS HA H 1 4.181 0.008 . 1 . . 461 . . 63 LYS HA . 18841 1 746 . 1 1 63 63 LYS HB2 H 1 1.909 0.008 . 1 . . 526 . . 63 LYS HB2 . 18841 1 747 . 1 1 63 63 LYS HB3 H 1 1.909 0.008 . 1 . . 462 . . 63 LYS HB3 . 18841 1 748 . 1 1 63 63 LYS HG2 H 1 1.551 0.008 . 2 . . 786 . . 63 LYS HG2 . 18841 1 749 . 1 1 63 63 LYS HG3 H 1 1.450 0.008 . 2 . . 728 . . 63 LYS HG3 . 18841 1 750 . 1 1 63 63 LYS HD2 H 1 1.706 0.008 . 1 . . 727 . . 63 LYS HD2 . 18841 1 751 . 1 1 63 63 LYS HD3 H 1 1.706 0.008 . 1 . . 726 . . 63 LYS HD3 . 18841 1 752 . 1 1 63 63 LYS HE2 H 1 3.006 0.008 . 1 . . 730 . . 63 LYS HE2 . 18841 1 753 . 1 1 63 63 LYS HE3 H 1 3.006 0.008 . 1 . . 729 . . 63 LYS HE3 . 18841 1 754 . 1 1 63 63 LYS C C 13 177.769 0.04 . 1 . . 460 . . 63 LYS C . 18841 1 755 . 1 1 63 63 LYS CA C 13 57.916 0.04 . 1 . . 206 . . 63 LYS CA . 18841 1 756 . 1 1 63 63 LYS CB C 13 32.748 0.04 . 1 . . 207 . . 63 LYS CB . 18841 1 757 . 1 1 63 63 LYS CG C 13 25.168 0.04 . 1 . . 606 . . 63 LYS CG . 18841 1 758 . 1 1 63 63 LYS CD C 13 29.313 0.04 . 1 . . 605 . . 63 LYS CD . 18841 1 759 . 1 1 63 63 LYS CE C 13 42.217 0.04 . 1 . . 604 . . 63 LYS CE . 18841 1 760 . 1 1 63 63 LYS N N 15 118.654 0.04 . 1 . . 98 . . 63 LYS N . 18841 1 761 . 1 1 64 64 MET H H 1 8.014 0.008 . 1 . . 27 . . 64 MET H . 18841 1 762 . 1 1 64 64 MET HA H 1 4.317 0.008 . 1 . . 464 . . 64 MET HA . 18841 1 763 . 1 1 64 64 MET HB2 H 1 2.117 0.008 . 1 . . 527 . . 64 MET HB2 . 18841 1 764 . 1 1 64 64 MET HB3 H 1 2.117 0.008 . 1 . . 465 . . 64 MET HB3 . 18841 1 765 . 1 1 64 64 MET HG2 H 1 2.567 0.008 . 2 . . 731 . . 64 MET HG2 . 18841 1 766 . 1 1 64 64 MET HG3 H 1 2.675 0.008 . 2 . . 759 . . 64 MET HG3 . 18841 1 767 . 1 1 64 64 MET C C 13 177.135 0.04 . 1 . . 463 . . 64 MET C . 18841 1 768 . 1 1 64 64 MET CA C 13 56.978 0.04 . 1 . . 204 . . 64 MET CA . 18841 1 769 . 1 1 64 64 MET CB C 13 32.882 0.04 . 1 . . 205 . . 64 MET CB . 18841 1 770 . 1 1 64 64 MET CG C 13 32.090 0.04 . 1 . . 607 . . 64 MET CG . 18841 1 771 . 1 1 64 64 MET N N 15 119.273 0.04 . 1 . . 28 . . 64 MET N . 18841 1 772 . 1 1 65 65 ARG H H 1 8.079 0.008 . 1 . . 23 . . 65 ARG H . 18841 1 773 . 1 1 65 65 ARG HA H 1 4.194 0.008 . 1 . . 467 . . 65 ARG HA . 18841 1 774 . 1 1 65 65 ARG HB2 H 1 1.832 0.008 . 1 . . 468 . . 65 ARG HB2 . 18841 1 775 . 1 1 65 65 ARG HB3 H 1 1.832 0.008 . 1 . . 528 . . 65 ARG HB3 . 18841 1 776 . 1 1 65 65 ARG HG2 H 1 1.570 0.008 . 1 . . 734 . . 65 ARG HG2 . 18841 1 777 . 1 1 65 65 ARG HG3 H 1 1.570 0.008 . 1 . . 735 . . 65 ARG HG3 . 18841 1 778 . 1 1 65 65 ARG HD2 H 1 3.162 0.008 . 1 . . 733 . . 65 ARG HD2 . 18841 1 779 . 1 1 65 65 ARG HD3 H 1 3.162 0.008 . 1 . . 732 . . 65 ARG HD3 . 18841 1 780 . 1 1 65 65 ARG C C 13 177.153 0.04 . 1 . . 466 . . 65 ARG C . 18841 1 781 . 1 1 65 65 ARG CA C 13 57.310 0.04 . 1 . . 203 . . 65 ARG CA . 18841 1 782 . 1 1 65 65 ARG CB C 13 30.476 0.04 . 1 . . 202 . . 65 ARG CB . 18841 1 783 . 1 1 65 65 ARG CG C 13 27.292 0.04 . 1 . . 609 . . 65 ARG CG . 18841 1 784 . 1 1 65 65 ARG CD C 13 43.459 0.04 . 1 . . 608 . . 65 ARG CD . 18841 1 785 . 1 1 65 65 ARG N N 15 120.566 0.04 . 1 . . 24 . . 65 ARG N . 18841 1 786 . 1 1 66 66 LYS H H 1 8.093 0.008 . 1 . . 49 . . 66 LYS H . 18841 1 787 . 1 1 66 66 LYS HA H 1 4.247 0.008 . 1 . . 470 . . 66 LYS HA . 18841 1 788 . 1 1 66 66 LYS HB2 H 1 1.871 0.008 . 1 . . 529 . . 66 LYS HB2 . 18841 1 789 . 1 1 66 66 LYS HB3 H 1 1.871 0.008 . 1 . . 471 . . 66 LYS HB3 . 18841 1 790 . 1 1 66 66 LYS HG2 H 1 1.447 0.008 . 1 . . 741 . . 66 LYS HG2 . 18841 1 791 . 1 1 66 66 LYS HG3 H 1 1.447 0.008 . 1 . . 740 . . 66 LYS HG3 . 18841 1 792 . 1 1 66 66 LYS HD2 H 1 1.703 0.008 . 1 . . 739 . . 66 LYS HD2 . 18841 1 793 . 1 1 66 66 LYS HD3 H 1 1.703 0.008 . 1 . . 738 . . 66 LYS HD3 . 18841 1 794 . 1 1 66 66 LYS HE2 H 1 3.006 0.008 . 1 . . 736 . . 66 LYS HE2 . 18841 1 795 . 1 1 66 66 LYS HE3 H 1 3.006 0.008 . 1 . . 737 . . 66 LYS HE3 . 18841 1 796 . 1 1 66 66 LYS C C 13 177.318 0.04 . 1 . . 469 . . 66 LYS C . 18841 1 797 . 1 1 66 66 LYS CA C 13 57.213 0.04 . 1 . . 201 . . 66 LYS CA . 18841 1 798 . 1 1 66 66 LYS CB C 13 32.913 0.04 . 1 . . 200 . . 66 LYS CB . 18841 1 799 . 1 1 66 66 LYS CG C 13 24.922 0.04 . 1 . . 611 . . 66 LYS CG . 18841 1 800 . 1 1 66 66 LYS CD C 13 29.181 0.04 . 1 . . 610 . . 66 LYS CD . 18841 1 801 . 1 1 66 66 LYS CE C 13 42.211 0.04 . 1 . . 742 . . 66 LYS CE . 18841 1 802 . 1 1 66 66 LYS N N 15 121.523 0.04 . 1 . . 50 . . 66 LYS N . 18841 1 803 . 1 1 67 67 GLU H H 1 8.289 0.008 . 1 . . 64 . . 67 GLU H . 18841 1 804 . 1 1 67 67 GLU HA H 1 4.253 0.008 . 1 . . 473 . . 67 GLU HA . 18841 1 805 . 1 1 67 67 GLU HB2 H 1 2.075 0.008 . 2 . . 474 . . 67 GLU HB2 . 18841 1 806 . 1 1 67 67 GLU HB3 H 1 2.011 0.008 . 2 . . 475 . . 67 GLU HB3 . 18841 1 807 . 1 1 67 67 GLU HG2 H 1 2.293 0.008 . 1 . . 743 . . 67 GLU HG2 . 18841 1 808 . 1 1 67 67 GLU HG3 H 1 2.293 0.008 . 1 . . 744 . . 67 GLU HG3 . 18841 1 809 . 1 1 67 67 GLU C C 13 177.003 0.04 . 1 . . 472 . . 67 GLU C . 18841 1 810 . 1 1 67 67 GLU CA C 13 57.110 0.04 . 1 . . 198 . . 67 GLU CA . 18841 1 811 . 1 1 67 67 GLU CB C 13 30.141 0.04 . 1 . . 199 . . 67 GLU CB . 18841 1 812 . 1 1 67 67 GLU CG C 13 36.309 0.04 . 1 . . 612 . . 67 GLU CG . 18841 1 813 . 1 1 67 67 GLU N N 15 121.026 0.04 . 1 . . 65 . . 67 GLU N . 18841 1 814 . 1 1 68 68 ARG H H 1 8.229 0.008 . 1 . . 19 . . 68 ARG H . 18841 1 815 . 1 1 68 68 ARG HA H 1 4.340 0.008 . 1 . . 477 . . 68 ARG HA . 18841 1 816 . 1 1 68 68 ARG HB2 H 1 1.828 0.008 . 2 . . 479 . . 68 ARG HB2 . 18841 1 817 . 1 1 68 68 ARG HB3 H 1 1.927 0.008 . 2 . . 478 . . 68 ARG HB3 . 18841 1 818 . 1 1 68 68 ARG HG2 H 1 1.619 0.008 . 1 . . 748 . . 68 ARG HG2 . 18841 1 819 . 1 1 68 68 ARG HG3 H 1 1.619 0.008 . 1 . . 747 . . 68 ARG HG3 . 18841 1 820 . 1 1 68 68 ARG HD2 H 1 3.204 0.008 . 1 . . 745 . . 68 ARG HD2 . 18841 1 821 . 1 1 68 68 ARG HD3 H 1 3.204 0.008 . 1 . . 746 . . 68 ARG HD3 . 18841 1 822 . 1 1 68 68 ARG C C 13 176.625 0.04 . 1 . . 476 . . 68 ARG C . 18841 1 823 . 1 1 68 68 ARG CA C 13 56.580 0.04 . 1 . . 196 . . 68 ARG CA . 18841 1 824 . 1 1 68 68 ARG CB C 13 30.695 0.04 . 1 . . 197 . . 68 ARG CB . 18841 1 825 . 1 1 68 68 ARG CG C 13 27.228 0.04 . 1 . . 614 . . 68 ARG CG . 18841 1 826 . 1 1 68 68 ARG CD C 13 43.470 0.04 . 1 . . 613 . . 68 ARG CD . 18841 1 827 . 1 1 68 68 ARG N N 15 121.090 0.04 . 1 . . 20 . . 68 ARG N . 18841 1 828 . 1 1 69 69 SER H H 1 8.233 0.008 . 1 . . 126 . . 69 SER H . 18841 1 829 . 1 1 69 69 SER HA H 1 4.447 0.008 . 1 . . 481 . . 69 SER HA . 18841 1 830 . 1 1 69 69 SER HB2 H 1 3.929 0.008 . 1 . . 530 . . 69 SER HB2 . 18841 1 831 . 1 1 69 69 SER HB3 H 1 3.929 0.008 . 1 . . 482 . . 69 SER HB3 . 18841 1 832 . 1 1 69 69 SER C C 13 174.411 0.04 . 1 . . 480 . . 69 SER C . 18841 1 833 . 1 1 69 69 SER CA C 13 58.750 0.04 . 1 . . 238 . . 69 SER CA . 18841 1 834 . 1 1 69 69 SER CB C 13 63.868 0.04 . 1 . . 239 . . 69 SER CB . 18841 1 835 . 1 1 69 69 SER N N 15 116.524 0.04 . 1 . . 127 . . 69 SER N . 18841 1 836 . 1 1 70 70 LYS H H 1 8.230 0.008 . 1 . . 90 . . 70 LYS H . 18841 1 837 . 1 1 70 70 LYS HA H 1 4.368 0.008 . 1 . . 486 . . 70 LYS HA . 18841 1 838 . 1 1 70 70 LYS HB2 H 1 1.793 0.008 . 2 . . 488 . . 70 LYS HB2 . 18841 1 839 . 1 1 70 70 LYS HB3 H 1 1.915 0.008 . 2 . . 487 . . 70 LYS HB3 . 18841 1 840 . 1 1 70 70 LYS HG2 H 1 1.485 0.008 . 1 . . 754 . . 70 LYS HG2 . 18841 1 841 . 1 1 70 70 LYS HG3 H 1 1.485 0.008 . 1 . . 753 . . 70 LYS HG3 . 18841 1 842 . 1 1 70 70 LYS HD2 H 1 1.708 0.008 . 1 . . 751 . . 70 LYS HD2 . 18841 1 843 . 1 1 70 70 LYS HD3 H 1 1.708 0.008 . 1 . . 752 . . 70 LYS HD3 . 18841 1 844 . 1 1 70 70 LYS HE2 H 1 3.022 0.008 . 1 . . 750 . . 70 LYS HE2 . 18841 1 845 . 1 1 70 70 LYS HE3 H 1 3.022 0.008 . 1 . . 749 . . 70 LYS HE3 . 18841 1 846 . 1 1 70 70 LYS C C 13 175.706 0.04 . 1 . . 483 . . 70 LYS C . 18841 1 847 . 1 1 70 70 LYS CA C 13 56.512 0.04 . 1 . . 240 . . 70 LYS CA . 18841 1 848 . 1 1 70 70 LYS CB C 13 33.009 0.04 . 1 . . 241 . . 70 LYS CB . 18841 1 849 . 1 1 70 70 LYS CG C 13 24.722 0.04 . 1 . . 617 . . 70 LYS CG . 18841 1 850 . 1 1 70 70 LYS CD C 13 29.116 0.04 . 1 . . 616 . . 70 LYS CD . 18841 1 851 . 1 1 70 70 LYS CE C 13 42.250 0.04 . 1 . . 615 . . 70 LYS CE . 18841 1 852 . 1 1 70 70 LYS N N 15 123.399 0.04 . 1 . . 91 . . 70 LYS N . 18841 1 853 . 1 1 71 71 GLN H H 1 7.978 0.008 . 1 . . 5 . . 71 GLN H . 18841 1 854 . 1 1 71 71 GLN HA H 1 4.164 0.008 . 1 . . 787 . . 71 GLN HA . 18841 1 855 . 1 1 71 71 GLN HB2 H 1 1.940 0.008 . 2 . . 623 . . 71 GLN HB2 . 18841 1 856 . 1 1 71 71 GLN HB3 H 1 2.119 0.008 . 2 . . 622 . . 71 GLN HB3 . 18841 1 857 . 1 1 71 71 GLN HG2 H 1 2.326 0.008 . 1 . . 621 . . 71 GLN HG2 . 18841 1 858 . 1 1 71 71 GLN HG3 H 1 2.326 0.008 . 1 . . 620 . . 71 GLN HG3 . 18841 1 859 . 1 1 71 71 GLN HE21 H 1 6.835 0.008 . 1 . . 31 . . 71 GLN HE21 . 18841 1 860 . 1 1 71 71 GLN HE22 H 1 7.517 0.008 . 1 . . 80 . . 71 GLN HE22 . 18841 1 861 . 1 1 71 71 GLN CA C 13 57.477 0.04 . 1 . . 484 . . 71 GLN CA . 18841 1 862 . 1 1 71 71 GLN CB C 13 30.496 0.04 . 1 . . 485 . . 71 GLN CB . 18841 1 863 . 1 1 71 71 GLN CG C 13 34.398 0.04 . 1 . . 619 . . 71 GLN CG . 18841 1 864 . 1 1 71 71 GLN N N 15 126.444 0.04 . 1 . . 6 . . 71 GLN N . 18841 1 865 . 1 1 71 71 GLN NE2 N 15 112.536 0.04 . 1 . . 32 . . 71 GLN NE2 . 18841 1 stop_ save_