################################### # 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 18351 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 28 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _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 'T2:1 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 2 'T2:2 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 3 'T2:3 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 4 'T2:4 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 5 'T2:5 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 6 'T2:6 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 7 'T2:7 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 8 'T2:8 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 9 'T2:9 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 10 'T2:10 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 11 'T2:11 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 12 'T2:12 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 13 'T2:13 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 14 'T2:14 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 15 'T2:15 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 1 16 'T1:1 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 17 'T1:2 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 18 'T1:3 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 19 'T1:4 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 20 'T1:5 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 21 'T1:6 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 22 'T1:7 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 23 'T1:8 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 24 'T1:9 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 25 'T1:10 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 26 'T1:11 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 27 'T1:12 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 1 28 'htNOE 1 (H[n[Trho(N)]])' 1 $13C15N_03 isotropic 18351 1 29 'htNOE 2 (H[n[Trho(N)]])' 1 $13C15N_03 isotropic 18351 1 30 '3D 1H-13C NOESY' 2 $13C15N_02 isotropic 18351 1 32 '3D 1H-15N NOESY' 3 $15N isotropic 18351 1 33 '2D 1H-1H NOESY' 4 $unlabeled isotropic 18351 1 34 '3D HNCO' 5 $13C15N_01 isotropic 18351 1 35 'HNcaCO (H[N[ca[CO]]])' 5 $13C15N_01 isotropic 18351 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 2 2 PRO HA H 1 4.329 0.002 . 1 . . 512 . . 2 PRO HA . 18351 1 2 . 1 1 2 2 PRO HB2 H 1 2.203 0.002 . 1 . . 645 . . 2 PRO HB2 . 18351 1 3 . 1 1 2 2 PRO HB3 H 1 1.760 0.002 . 1 . . 646 . . 2 PRO HB3 . 18351 1 4 . 1 1 2 2 PRO HG2 H 1 1.918 0.0 . 1 . . 677 . . 2 PRO HG2 . 18351 1 5 . 1 1 2 2 PRO HG3 H 1 1.862 0.002 . 1 . . 676 . . 2 PRO HG3 . 18351 1 6 . 1 1 2 2 PRO HD2 H 1 3.626 0.002 . 1 . . 673 . . 2 PRO HD2 . 18351 1 7 . 1 1 2 2 PRO HD3 H 1 3.497 0.003 . 1 . . 674 . . 2 PRO HD3 . 18351 1 8 . 1 1 2 2 PRO C C 13 176.492 0.014 . 1 . . 271 . . 2 PRO C . 18351 1 9 . 1 1 2 2 PRO CA C 13 63.208 0.0 . 1 . . 460 . . 2 PRO CA . 18351 1 10 . 1 1 2 2 PRO CB C 13 31.990 . . 1 . . 675 . . 2 PRO CB . 18351 1 11 . 1 1 2 2 PRO CG C 13 27.537 0.002 . 1 . . 514 . . 2 PRO CG . 18351 1 12 . 1 1 2 2 PRO CD C 13 50.774 0.005 . 1 . . 513 . . 2 PRO CD . 18351 1 13 . 1 1 3 3 ALA H H 1 8.430 0.005 . 1 . . 98 . . 3 ALA H . 18351 1 14 . 1 1 3 3 ALA HA H 1 4.099 0.003 . 1 . . 334 . . 3 ALA HA . 18351 1 15 . 1 1 3 3 ALA HB1 H 1 1.239 0.002 . 1 . . 335 . . 3 ALA HB1 . 18351 1 16 . 1 1 3 3 ALA HB2 H 1 1.239 0.002 . 1 . . 335 . . 3 ALA HB2 . 18351 1 17 . 1 1 3 3 ALA HB3 H 1 1.239 0.002 . 1 . . 335 . . 3 ALA HB3 . 18351 1 18 . 1 1 3 3 ALA C C 13 177.683 0.007 . 1 . . 284 . . 3 ALA C . 18351 1 19 . 1 1 3 3 ALA CA C 13 52.526 0.0 . 1 . . 154 . . 3 ALA CA . 18351 1 20 . 1 1 3 3 ALA CB C 13 18.987 0.0213 . 1 . . 155 . . 3 ALA CB . 18351 1 21 . 1 1 3 3 ALA N N 15 125.390 0.088 . 1 . . 99 . . 3 ALA N . 18351 1 22 . 1 1 4 4 ALA H H 1 8.270 0.004 . 1 . . 76 . . 4 ALA H . 18351 1 23 . 1 1 4 4 ALA HA H 1 4.122 0.005 . 1 . . 647 . . 4 ALA HA . 18351 1 24 . 1 1 4 4 ALA HB1 H 1 1.231 0.004 . 1 . . 468 . . 4 ALA HB1 . 18351 1 25 . 1 1 4 4 ALA HB2 H 1 1.231 0.004 . 1 . . 468 . . 4 ALA HB2 . 18351 1 26 . 1 1 4 4 ALA HB3 H 1 1.231 0.004 . 1 . . 468 . . 4 ALA HB3 . 18351 1 27 . 1 1 4 4 ALA C C 13 177.893 0.025 . 1 . . 294 . . 4 ALA C . 18351 1 28 . 1 1 4 4 ALA CA C 13 52.505 0.0234 . 1 . . 204 . . 4 ALA CA . 18351 1 29 . 1 1 4 4 ALA CB C 13 18.987 0.0213 . 1 . . 203 . . 4 ALA CB . 18351 1 30 . 1 1 4 4 ALA N N 15 123.545 0.082 . 1 . . 77 . . 4 ALA N . 18351 1 31 . 1 1 5 5 MET H H 1 8.249 0.006 . 1 . . 95 . . 5 MET H . 18351 1 32 . 1 1 5 5 MET HA H 1 4.295 0.006 . 1 . . 471 . . 5 MET HA . 18351 1 33 . 1 1 5 5 MET HB2 H 1 1.931 0.005 . 1 . . 469 . . 5 MET HB2 . 18351 1 34 . 1 1 5 5 MET HB3 H 1 1.858 0.002 . 1 . . 470 . . 5 MET HB3 . 18351 1 35 . 1 1 5 5 MET HG2 H 1 2.460 0.003 . 1 . . 601 . . 5 MET HG2 . 18351 1 36 . 1 1 5 5 MET HG3 H 1 2.396 0.002 . 1 . . 603 . . 5 MET HG3 . 18351 1 37 . 1 1 5 5 MET C C 13 176.374 0.015 . 1 . . 282 . . 5 MET C . 18351 1 38 . 1 1 5 5 MET CA C 13 55.422 0.005 . 1 . . 146 . . 5 MET CA . 18351 1 39 . 1 1 5 5 MET CB C 13 32.779 0.0213 . 1 . . 145 . . 5 MET CB . 18351 1 40 . 1 1 5 5 MET CG C 13 31.997 0.0 . 1 . . 602 . . 5 MET CG . 18351 1 41 . 1 1 5 5 MET N N 15 119.773 0.084 . 1 . . 96 . . 5 MET N . 18351 1 42 . 1 1 6 6 GLU H H 1 8.338 0.004 . 1 . . 31 . . 6 GLU H . 18351 1 43 . 1 1 6 6 GLU HA H 1 4.127 0.004 . 1 . . 604 . . 6 GLU HA . 18351 1 44 . 1 1 6 6 GLU HB2 H 1 1.888 0.001 . 1 . . 607 . . 6 GLU HB2 . 18351 1 45 . 1 1 6 6 GLU HB3 H 1 1.804 0.001 . 1 . . 608 . . 6 GLU HB3 . 18351 1 46 . 1 1 6 6 GLU HG2 H 1 2.153 0.005 . 1 . . 605 . . 6 GLU HG2 . 18351 1 47 . 1 1 6 6 GLU HG3 H 1 2.114 0.005 . 1 . . 649 . . 6 GLU HG3 . 18351 1 48 . 1 1 6 6 GLU C C 13 176.343 0.007 . 1 . . 280 . . 6 GLU C . 18351 1 49 . 1 1 6 6 GLU CA C 13 56.463 0.003 . 1 . . 457 . . 6 GLU CA . 18351 1 50 . 1 1 6 6 GLU CB C 13 30.080 0.003 . 1 . . 648 . . 6 GLU CB . 18351 1 51 . 1 1 6 6 GLU CG C 13 36.104 0.0 . 1 . . 606 . . 6 GLU CG . 18351 1 52 . 1 1 6 6 GLU N N 15 122.756 0.086 . 1 . . 32 . . 6 GLU N . 18351 1 53 . 1 1 7 7 ARG H H 1 8.321 0.005 . 1 . . 461 . . 7 ARG H . 18351 1 54 . 1 1 7 7 ARG HA H 1 4.170 0.005 . 1 . . 650 . . 7 ARG HA . 18351 1 55 . 1 1 7 7 ARG HB2 H 1 1.693 0.004 . 1 . . 657 . . 7 ARG HB2 . 18351 1 56 . 1 1 7 7 ARG HB3 H 1 1.626 0.002 . 1 . . 651 . . 7 ARG HB3 . 18351 1 57 . 1 1 7 7 ARG HG2 H 1 1.498 0.001 . 1 . . 652 . . 7 ARG HG2 . 18351 1 58 . 1 1 7 7 ARG HG3 H 1 1.452 0.002 . 1 . . 656 . . 7 ARG HG3 . 18351 1 59 . 1 1 7 7 ARG HD2 H 1 3.062 0.003 . 1 . . 653 . . 7 ARG HD2 . 18351 1 60 . 1 1 7 7 ARG HD3 H 1 3.062 0.003 . 1 . . 654 . . 7 ARG HD3 . 18351 1 61 . 1 1 7 7 ARG HE H 1 7.111 0.001 . 1 . . 660 . . 7 ARG HE . 18351 1 62 . 1 1 7 7 ARG C C 13 176.201 0.001 . 1 . . 281 . . 7 ARG C . 18351 1 63 . 1 1 7 7 ARG CA C 13 56.200 0.0 . 1 . . 463 . . 7 ARG CA . 18351 1 64 . 1 1 7 7 ARG CB C 13 30.550 0.001 . 1 . . 464 . . 7 ARG CB . 18351 1 65 . 1 1 7 7 ARG CG C 13 27.219 0.004 . 1 . . 658 . . 7 ARG CG . 18351 1 66 . 1 1 7 7 ARG CD C 13 43.448 0.0 . 1 . . 655 . . 7 ARG CD . 18351 1 67 . 1 1 7 7 ARG N N 15 122.608 0.074 . 1 . . 462 . . 7 ARG N . 18351 1 68 . 1 1 7 7 ARG NE N 15 114.530 0.024 . 1 . . 659 . . 7 ARG NE . 18351 1 69 . 1 1 8 8 GLN H H 1 8.437 0.002 . 1 . . 458 . . 8 GLN H . 18351 1 70 . 1 1 8 8 GLN HA H 1 4.229 0.003 . 1 . . 325 . . 8 GLN HA . 18351 1 71 . 1 1 8 8 GLN HB2 H 1 1.924 0.001 . 1 . . 327 . . 8 GLN HB2 . 18351 1 72 . 1 1 8 8 GLN HB3 H 1 1.830 0.001 . 1 . . 326 . . 8 GLN HB3 . 18351 1 73 . 1 1 8 8 GLN HG2 H 1 2.213 0.003 . 1 . . 671 . . 8 GLN HG2 . 18351 1 74 . 1 1 8 8 GLN HG3 H 1 2.213 0.003 . 1 . . 670 . . 8 GLN HG3 . 18351 1 75 . 1 1 8 8 GLN HE21 H 1 7.485 0.001 . 1 . . 793 . . 8 GLN HE21 . 18351 1 76 . 1 1 8 8 GLN HE22 H 1 6.808 0.001 . 1 . . 791 . . 8 GLN HE22 . 18351 1 77 . 1 1 8 8 GLN C C 13 175.786 0.005 . 1 . . 276 . . 8 GLN C . 18351 1 78 . 1 1 8 8 GLN CA C 13 55.425 0.001 . 1 . . 610 . . 8 GLN CA . 18351 1 79 . 1 1 8 8 GLN CB C 13 29.392 0.0 . 1 . . 223 . . 8 GLN CB . 18351 1 80 . 1 1 8 8 GLN CG C 13 33.850 0.0165 . 1 . . 351 . . 8 GLN CG . 18351 1 81 . 1 1 8 8 GLN CD C 13 180.498 0.0229 . 1 . . 709 . . 8 GLN CD . 18351 1 82 . 1 1 8 8 GLN N N 15 122.871 0.062 . 1 . . 459 . . 8 GLN N . 18351 1 83 . 1 1 8 8 GLN NE2 N 15 113.172 0.122 . 1 . . 792 . . 8 GLN NE2 . 18351 1 84 . 1 1 9 9 VAL H H 1 8.325 0.006 . 1 . . 7 . . 9 VAL H . 18351 1 85 . 1 1 9 9 VAL HA H 1 4.300 0.003 . 1 . . 638 . . 9 VAL HA . 18351 1 86 . 1 1 9 9 VAL HB H 1 1.989 0.002 . 1 . . 640 . . 9 VAL HB . 18351 1 87 . 1 1 9 9 VAL HG11 H 1 0.829 0.001 . 1 . . 644 . . 9 VAL HG11 . 18351 1 88 . 1 1 9 9 VAL HG12 H 1 0.829 0.001 . 1 . . 644 . . 9 VAL HG12 . 18351 1 89 . 1 1 9 9 VAL HG13 H 1 0.829 0.001 . 1 . . 644 . . 9 VAL HG13 . 18351 1 90 . 1 1 9 9 VAL HG21 H 1 0.883 0.0 . 1 . . 642 . . 9 VAL HG21 . 18351 1 91 . 1 1 9 9 VAL HG22 H 1 0.883 0.0 . 1 . . 642 . . 9 VAL HG22 . 18351 1 92 . 1 1 9 9 VAL HG23 H 1 0.883 0.0 . 1 . . 642 . . 9 VAL HG23 . 18351 1 93 . 1 1 9 9 VAL C C 13 174.536 0.020174 . 1 . . 275 . . 9 VAL C . 18351 1 94 . 1 1 9 9 VAL CA C 13 59.977 0.003 . 1 . . 587 . . 9 VAL CA . 18351 1 95 . 1 1 9 9 VAL CB C 13 32.652 0.04 . 1 . . 639 . . 9 VAL CB . 18351 1 96 . 1 1 9 9 VAL CG1 C 13 20.298 0.0 . 1 . . 643 . . 9 VAL CG1 . 18351 1 97 . 1 1 9 9 VAL CG2 C 13 20.848 0.0 . 1 . . 641 . . 9 VAL CG2 . 18351 1 98 . 1 1 9 9 VAL N N 15 123.998 0.089 . 1 . . 8 . . 9 VAL N . 18351 1 99 . 1 1 10 10 PRO HA H 1 4.300 0.001 . 1 . . 357 . . 10 PRO HA . 18351 1 100 . 1 1 10 10 PRO HB2 H 1 2.172 0.003 . 1 . . 473 . . 10 PRO HB2 . 18351 1 101 . 1 1 10 10 PRO HB3 H 1 1.736 0.002 . 1 . . 472 . . 10 PRO HB3 . 18351 1 102 . 1 1 10 10 PRO HG2 H 1 1.890 0.001 . 1 . . 629 . . 10 PRO HG2 . 18351 1 103 . 1 1 10 10 PRO HG3 H 1 1.853 0.001 . 1 . . 630 . . 10 PRO HG3 . 18351 1 104 . 1 1 10 10 PRO HD2 H 1 3.750 0.003 . 1 . . 627 . . 10 PRO HD2 . 18351 1 105 . 1 1 10 10 PRO HD3 H 1 3.570 0.004 . 1 . . 628 . . 10 PRO HD3 . 18351 1 106 . 1 1 10 10 PRO C C 13 176.249 0.025 . 1 . . 255 . . 10 PRO C . 18351 1 107 . 1 1 10 10 PRO CA C 13 63.199 0.004 . 1 . . 319 . . 10 PRO CA . 18351 1 108 . 1 1 10 10 PRO CB C 13 32.220 0.0 . 1 . . 318 . . 10 PRO CB . 18351 1 109 . 1 1 10 10 PRO CG C 13 27.388 0.0 . 1 . . 356 . . 10 PRO CG . 18351 1 110 . 1 1 10 10 PRO CD C 13 51.233 0.0 . 1 . . 355 . . 10 PRO CD . 18351 1 111 . 1 1 11 11 TYR H H 1 8.504 0.002 . 1 . . 21 . . 11 TYR H . 18351 1 112 . 1 1 11 11 TYR HA H 1 4.552 0.001 . 1 . . 315 . . 11 TYR HA . 18351 1 113 . 1 1 11 11 TYR HB2 H 1 3.053 0.005 . 1 . . 316 . . 11 TYR HB2 . 18351 1 114 . 1 1 11 11 TYR HB3 H 1 2.402 0.002 . 1 . . 317 . . 11 TYR HB3 . 18351 1 115 . 1 1 11 11 TYR HE1 H 1 6.776 0.003 . 3 . . 739 . . 11 TYR HE1 . 18351 1 116 . 1 1 11 11 TYR HE2 H 1 6.776 0.003 . 3 . . 739 . . 11 TYR HE2 . 18351 1 117 . 1 1 11 11 TYR C C 13 175.116 0.015 . 1 . . 254 . . 11 TYR C . 18351 1 118 . 1 1 11 11 TYR CA C 13 57.163 0.004 . 1 . . 243 . . 11 TYR CA . 18351 1 119 . 1 1 11 11 TYR CB C 13 39.383 0.002 . 1 . . 242 . . 11 TYR CB . 18351 1 120 . 1 1 11 11 TYR N N 15 123.080 0.073 . 1 . . 22 . . 11 TYR N . 18351 1 121 . 1 1 12 12 THR H H 1 8.279 0.003 . 1 . . 68 . . 12 THR H . 18351 1 122 . 1 1 12 12 THR HA H 1 4.240 0.004 . 1 . . 476 . . 12 THR HA . 18351 1 123 . 1 1 12 12 THR HB H 1 3.756 0.003 . 1 . . 563 . . 12 THR HB . 18351 1 124 . 1 1 12 12 THR HG21 H 1 0.965 0.002 . 1 . . 711 . . 12 THR HG21 . 18351 1 125 . 1 1 12 12 THR HG22 H 1 0.965 0.002 . 1 . . 711 . . 12 THR HG22 . 18351 1 126 . 1 1 12 12 THR HG23 H 1 0.965 0.002 . 1 . . 711 . . 12 THR HG23 . 18351 1 127 . 1 1 12 12 THR C C 13 172.605 0.020174 . 1 . . 247 . . 12 THR C . 18351 1 128 . 1 1 12 12 THR CA C 13 58.208 0.022 . 1 . . 314 . . 12 THR CA . 18351 1 129 . 1 1 12 12 THR CB C 13 69.853 0.005 . 1 . . 241 . . 12 THR CB . 18351 1 130 . 1 1 12 12 THR CG2 C 13 21.322 0.009 . 1 . . 737 . . 12 THR CG2 . 18351 1 131 . 1 1 12 12 THR N N 15 127.278 0.079 . 1 . . 69 . . 12 THR N . 18351 1 132 . 1 1 13 13 PRO HA H 1 3.664 0.002 . 1 . . 417 . . 13 PRO HA . 18351 1 133 . 1 1 13 13 PRO HB2 H 1 1.980 0.001 . 1 . . 418 . . 13 PRO HB2 . 18351 1 134 . 1 1 13 13 PRO HB3 H 1 1.871 0.001 . 1 . . 419 . . 13 PRO HB3 . 18351 1 135 . 1 1 13 13 PRO HG2 H 1 1.783 0.004 . 1 . . 631 . . 13 PRO HG2 . 18351 1 136 . 1 1 13 13 PRO HG3 H 1 1.411 0.002 . 1 . . 632 . . 13 PRO HG3 . 18351 1 137 . 1 1 13 13 PRO HD2 H 1 2.519 0.004 . 1 . . 752 . . 13 PRO HD2 . 18351 1 138 . 1 1 13 13 PRO HD3 H 1 2.518 0.004 . 1 . . 745 . . 13 PRO HD3 . 18351 1 139 . 1 1 13 13 PRO C C 13 177.031 0.020174 . 1 . . 257 . . 13 PRO C . 18351 1 140 . 1 1 13 13 PRO CA C 13 63.860 0.0234 . 1 . . 153 . . 13 PRO CA . 18351 1 141 . 1 1 13 13 PRO CB C 13 32.032 0.003 . 1 . . 152 . . 13 PRO CB . 18351 1 142 . 1 1 13 13 PRO CG C 13 27.330 0.003 . 1 . . 532 . . 13 PRO CG . 18351 1 143 . 1 1 13 13 PRO CD C 13 50.961 0.007 . 1 . . 751 . . 13 PRO CD . 18351 1 144 . 1 1 14 14 CYS H H 1 7.270 0.002 . 1 . . 60 . . 14 CYS H . 18351 1 145 . 1 1 14 14 CYS HA H 1 4.969 0.002 . 1 . . 410 . . 14 CYS HA . 18351 1 146 . 1 1 14 14 CYS HB2 H 1 3.920 0.003 . 1 . . 409 . . 14 CYS HB2 . 18351 1 147 . 1 1 14 14 CYS HB3 H 1 2.147 0.003 . 1 . . 408 . . 14 CYS HB3 . 18351 1 148 . 1 1 14 14 CYS C C 13 172.613 0.013 . 1 . . 256 . . 14 CYS C . 18351 1 149 . 1 1 14 14 CYS CA C 13 52.333 0.053 . 1 . . 150 . . 14 CYS CA . 18351 1 150 . 1 1 14 14 CYS CB C 13 41.600 . . 1 . . 151 . . 14 CYS CB . 18351 1 151 . 1 1 14 14 CYS N N 15 113.677 0.067 . 1 . . 61 . . 14 CYS N . 18351 1 152 . 1 1 15 15 SER H H 1 8.404 0.001 . 1 . . 80 . . 15 SER H . 18351 1 153 . 1 1 15 15 SER HA H 1 4.526 0.002 . 1 . . 432 . . 15 SER HA . 18351 1 154 . 1 1 15 15 SER HB2 H 1 3.631 0.004 . 1 . . 753 . . 15 SER HB2 . 18351 1 155 . 1 1 15 15 SER HB3 H 1 3.632 0.002 . 1 . . 433 . . 15 SER HB3 . 18351 1 156 . 1 1 15 15 SER C C 13 172.398 0.052 . 1 . . 274 . . 15 SER C . 18351 1 157 . 1 1 15 15 SER CA C 13 57.541 0.0 . 1 . . 149 . . 15 SER CA . 18351 1 158 . 1 1 15 15 SER CB C 13 65.807 0.018 . 1 . . 148 . . 15 SER CB . 18351 1 159 . 1 1 15 15 SER N N 15 115.685 0.064 . 1 . . 81 . . 15 SER N . 18351 1 160 . 1 1 16 16 GLY H H 1 8.548 0.002 . 1 . . 56 . . 16 GLY H . 18351 1 161 . 1 1 16 16 GLY HA2 H 1 3.820 0.002 . 1 . . 474 . . 16 GLY HA2 . 18351 1 162 . 1 1 16 16 GLY HA3 H 1 3.512 0.004 . 1 . . 475 . . 16 GLY HA3 . 18351 1 163 . 1 1 16 16 GLY C C 13 173.903 0.002 . 1 . . 290 . . 16 GLY C . 18351 1 164 . 1 1 16 16 GLY CA C 13 45.050 0.0234 . 1 . . 147 . . 16 GLY CA . 18351 1 165 . 1 1 16 16 GLY N N 15 108.947 0.081 . 1 . . 57 . . 16 GLY N . 18351 1 166 . 1 1 17 17 LEU H H 1 8.286 0.002 . 1 . . 17 . . 17 LEU H . 18351 1 167 . 1 1 17 17 LEU HA H 1 3.820 0.002 . 1 . . 395 . . 17 LEU HA . 18351 1 168 . 1 1 17 17 LEU HB2 H 1 1.418 0.003 . 1 . . 394 . . 17 LEU HB2 . 18351 1 169 . 1 1 17 17 LEU HB3 H 1 1.419 0.003 . 1 . . 746 . . 17 LEU HB3 . 18351 1 170 . 1 1 17 17 LEU HG H 1 0.988 0.002 . 1 . . 598 . . 17 LEU HG . 18351 1 171 . 1 1 17 17 LEU HD11 H 1 0.636 0.004 . 1 . . 727 . . 17 LEU HD11 . 18351 1 172 . 1 1 17 17 LEU HD12 H 1 0.636 0.004 . 1 . . 727 . . 17 LEU HD12 . 18351 1 173 . 1 1 17 17 LEU HD13 H 1 0.636 0.004 . 1 . . 727 . . 17 LEU HD13 . 18351 1 174 . 1 1 17 17 LEU HD21 H 1 0.685 0.001 . 1 . . 600 . . 17 LEU HD21 . 18351 1 175 . 1 1 17 17 LEU HD22 H 1 0.685 0.001 . 1 . . 600 . . 17 LEU HD22 . 18351 1 176 . 1 1 17 17 LEU HD23 H 1 0.685 0.001 . 1 . . 600 . . 17 LEU HD23 . 18351 1 177 . 1 1 17 17 LEU C C 13 178.593 0.020174 . 1 . . 301 . . 17 LEU C . 18351 1 178 . 1 1 17 17 LEU CA C 13 58.000 0.0234 . 1 . . 188 . . 17 LEU CA . 18351 1 179 . 1 1 17 17 LEU CB C 13 42.375 0.0 . 1 . . 187 . . 17 LEU CB . 18351 1 180 . 1 1 17 17 LEU CG C 13 26.478 0.001 . 1 . . 545 . . 17 LEU CG . 18351 1 181 . 1 1 17 17 LEU CD1 C 13 25.294 0.037 . 1 . . 726 . . 17 LEU CD1 . 18351 1 182 . 1 1 17 17 LEU CD2 C 13 23.086 0.0234 . 1 . . 599 . . 17 LEU CD2 . 18351 1 183 . 1 1 17 17 LEU N N 15 125.603 0.09 . 1 . . 18 . . 17 LEU N . 18351 1 184 . 1 1 18 18 TYR H H 1 8.337 0.002 . 1 . . 29 . . 18 TYR H . 18351 1 185 . 1 1 18 18 TYR HA H 1 4.020 0.004 . 1 . . 438 . . 18 TYR HA . 18351 1 186 . 1 1 18 18 TYR HB2 H 1 2.741 0.001 . 1 . . 439 . . 18 TYR HB2 . 18351 1 187 . 1 1 18 18 TYR HB3 H 1 2.348 0.005 . 1 . . 440 . . 18 TYR HB3 . 18351 1 188 . 1 1 18 18 TYR HD1 H 1 6.988 0.004 . 3 . . 719 . . 18 TYR HD1 . 18351 1 189 . 1 1 18 18 TYR HD2 H 1 6.988 0.004 . 3 . . 719 . . 18 TYR HD2 . 18351 1 190 . 1 1 18 18 TYR HE1 H 1 6.386 0.004 . 3 . . 721 . . 18 TYR HE1 . 18351 1 191 . 1 1 18 18 TYR HE2 H 1 6.386 0.004 . 3 . . 721 . . 18 TYR HE2 . 18351 1 192 . 1 1 18 18 TYR C C 13 177.150 0.017 . 1 . . 262 . . 18 TYR C . 18351 1 193 . 1 1 18 18 TYR CA C 13 55.385 0.0 . 1 . . 185 . . 18 TYR CA . 18351 1 194 . 1 1 18 18 TYR CB C 13 34.511 0.034 . 1 . . 186 . . 18 TYR CB . 18351 1 195 . 1 1 18 18 TYR CD1 C 13 132.935 0.023 . 3 . . 720 . . 18 TYR CD1 . 18351 1 196 . 1 1 18 18 TYR CD2 C 13 132.935 0.023 . 3 . . 720 . . 18 TYR CD2 . 18351 1 197 . 1 1 18 18 TYR CE1 C 13 117.202 0.02 . 3 . . 722 . . 18 TYR CE1 . 18351 1 198 . 1 1 18 18 TYR CE2 C 13 117.202 0.02 . 3 . . 722 . . 18 TYR CE2 . 18351 1 199 . 1 1 18 18 TYR N N 15 118.706 0.062 . 1 . . 30 . . 18 TYR N . 18351 1 200 . 1 1 19 19 GLY H H 1 6.995 0.003 . 1 . . 66 . . 19 GLY H . 18351 1 201 . 1 1 19 19 GLY HA2 H 1 3.461 0.002 . 1 . . 391 . . 19 GLY HA2 . 18351 1 202 . 1 1 19 19 GLY HA3 H 1 3.333 0.001 . 1 . . 390 . . 19 GLY HA3 . 18351 1 203 . 1 1 19 19 GLY C C 13 174.741 0.018 . 1 . . 253 . . 19 GLY C . 18351 1 204 . 1 1 19 19 GLY CA C 13 46.605 0.0 . 1 . . 115 . . 19 GLY CA . 18351 1 205 . 1 1 19 19 GLY N N 15 106.452 0.05 . 1 . . 67 . . 19 GLY N . 18351 1 206 . 1 1 20 20 THR H H 1 8.713 0.003 . 1 . . 87 . . 20 THR H . 18351 1 207 . 1 1 20 20 THR HA H 1 4.323 0.002 . 1 . . 309 . . 20 THR HA . 18351 1 208 . 1 1 20 20 THR HB H 1 3.772 0.005 . 1 . . 311 . . 20 THR HB . 18351 1 209 . 1 1 20 20 THR HG21 H 1 0.994 0.005 . 1 . . 734 . . 20 THR HG21 . 18351 1 210 . 1 1 20 20 THR HG22 H 1 0.994 0.005 . 1 . . 734 . . 20 THR HG22 . 18351 1 211 . 1 1 20 20 THR HG23 H 1 0.994 0.005 . 1 . . 734 . . 20 THR HG23 . 18351 1 212 . 1 1 20 20 THR C C 13 174.167 0.020174 . 1 . . 310 . . 20 THR C . 18351 1 213 . 1 1 20 20 THR CA C 13 62.449 0.022 . 1 . . 456 . . 20 THR CA . 18351 1 214 . 1 1 20 20 THR CB C 13 69.948 0.0 . 1 . . 339 . . 20 THR CB . 18351 1 215 . 1 1 20 20 THR CG2 C 13 21.699 0.0 . 1 . . 338 . . 20 THR CG2 . 18351 1 216 . 1 1 20 20 THR N N 15 118.824 0.078 . 1 . . 88 . . 20 THR N . 18351 1 217 . 1 1 21 21 ALA H H 1 8.981 0.002 . 1 . . 210 . . 21 ALA H . 18351 1 218 . 1 1 21 21 ALA HA H 1 4.935 0.003 . 1 . . 444 . . 21 ALA HA . 18351 1 219 . 1 1 21 21 ALA HB1 H 1 0.994 0.002 . 1 . . 443 . . 21 ALA HB1 . 18351 1 220 . 1 1 21 21 ALA HB2 H 1 0.994 0.002 . 1 . . 443 . . 21 ALA HB2 . 18351 1 221 . 1 1 21 21 ALA HB3 H 1 0.994 0.002 . 1 . . 443 . . 21 ALA HB3 . 18351 1 222 . 1 1 21 21 ALA C C 13 178.577 0.004 . 1 . . 305 . . 21 ALA C . 18351 1 223 . 1 1 21 21 ALA CA C 13 53.146 0.012 . 1 . . 207 . . 21 ALA CA . 18351 1 224 . 1 1 21 21 ALA CB C 13 18.774 0.003 . 1 . . 208 . . 21 ALA CB . 18351 1 225 . 1 1 21 21 ALA N N 15 133.280 0.081 . 1 . . 209 . . 21 ALA N . 18351 1 226 . 1 1 22 22 GLN H H 1 9.529 0.003 . 1 . . 117 . . 22 GLN H . 18351 1 227 . 1 1 22 22 GLN HA H 1 4.880 0.006 . 1 . . 477 . . 22 GLN HA . 18351 1 228 . 1 1 22 22 GLN HB2 H 1 2.010 0.001 . 1 . . 566 . . 22 GLN HB2 . 18351 1 229 . 1 1 22 22 GLN HB3 H 1 1.613 0.001 . 1 . . 723 . . 22 GLN HB3 . 18351 1 230 . 1 1 22 22 GLN HG2 H 1 1.833 0.002 . 1 . . 725 . . 22 GLN HG2 . 18351 1 231 . 1 1 22 22 GLN HG3 H 1 1.832 0.003 . 1 . . 724 . . 22 GLN HG3 . 18351 1 232 . 1 1 22 22 GLN HE21 H 1 7.611 0.003 . 1 . . 588 . . 22 GLN HE21 . 18351 1 233 . 1 1 22 22 GLN HE22 H 1 6.313 0.002 . 1 . . 590 . . 22 GLN HE22 . 18351 1 234 . 1 1 22 22 GLN C C 13 175.898 0.003 . 1 . . 244 . . 22 GLN C . 18351 1 235 . 1 1 22 22 GLN CA C 13 54.797 0.003 . 1 . . 442 . . 22 GLN CA . 18351 1 236 . 1 1 22 22 GLN CB C 13 35.852 0.0213 . 1 . . 441 . . 22 GLN CB . 18351 1 237 . 1 1 22 22 GLN CG C 13 34.516 0.0165 . 1 . . 478 . . 22 GLN CG . 18351 1 238 . 1 1 22 22 GLN N N 15 123.493 0.078 . 1 . . 118 . . 22 GLN N . 18351 1 239 . 1 1 22 22 GLN NE2 N 15 111.499 0.076 . 1 . . 589 . . 22 GLN NE2 . 18351 1 240 . 1 1 23 23 CYS H H 1 8.713 0.002 . 1 . . 11 . . 23 CYS H . 18351 1 241 . 1 1 23 23 CYS HA H 1 5.645 0.003 . 1 . . 445 . . 23 CYS HA . 18351 1 242 . 1 1 23 23 CYS HB2 H 1 3.120 0.004 . 1 . . 446 . . 23 CYS HB2 . 18351 1 243 . 1 1 23 23 CYS HB3 H 1 2.730 0.002 . 1 . . 447 . . 23 CYS HB3 . 18351 1 244 . 1 1 23 23 CYS C C 13 174.371 0.014 . 1 . . 296 . . 23 CYS C . 18351 1 245 . 1 1 23 23 CYS CA C 13 53.057 0.0 . 1 . . 116 . . 23 CYS CA . 18351 1 246 . 1 1 23 23 CYS CB C 13 37.425 0.096 . 1 . . 119 . . 23 CYS CB . 18351 1 247 . 1 1 23 23 CYS N N 15 116.479 0.076 . 1 . . 12 . . 23 CYS N . 18351 1 248 . 1 1 24 24 CYS H H 1 8.821 0.006 . 1 . . 179 . . 24 CYS H . 18351 1 249 . 1 1 24 24 CYS HA H 1 4.797 0.002 . 1 . . 538 . . 24 CYS HA . 18351 1 250 . 1 1 24 24 CYS HB2 H 1 3.284 0.001 . 1 . . 346 . . 24 CYS HB2 . 18351 1 251 . 1 1 24 24 CYS HB3 H 1 2.992 0.003 . 1 . . 347 . . 24 CYS HB3 . 18351 1 252 . 1 1 24 24 CYS C C 13 174.208 0.020174 . 1 . . 266 . . 24 CYS C . 18351 1 253 . 1 1 24 24 CYS CB C 13 51.055 0.006 . 1 . . 183 . . 24 CYS CB . 18351 1 254 . 1 1 24 24 CYS N N 15 117.708 0.06 . 1 . . 180 . . 24 CYS N . 18351 1 255 . 1 1 25 25 ALA H H 1 8.940 0.002 . 1 . . 83 . . 25 ALA H . 18351 1 256 . 1 1 25 25 ALA HA H 1 4.561 0.004 . 1 . . 406 . . 25 ALA HA . 18351 1 257 . 1 1 25 25 ALA HB1 H 1 1.399 0.002 . 1 . . 407 . . 25 ALA HB1 . 18351 1 258 . 1 1 25 25 ALA HB2 H 1 1.399 0.002 . 1 . . 407 . . 25 ALA HB2 . 18351 1 259 . 1 1 25 25 ALA HB3 H 1 1.399 0.002 . 1 . . 407 . . 25 ALA HB3 . 18351 1 260 . 1 1 25 25 ALA C C 13 176.703 0.017 . 1 . . 265 . . 25 ALA C . 18351 1 261 . 1 1 25 25 ALA CA C 13 51.206 0.067 . 1 . . 177 . . 25 ALA CA . 18351 1 262 . 1 1 25 25 ALA CB C 13 20.176 0.001 . 1 . . 176 . . 25 ALA CB . 18351 1 263 . 1 1 25 25 ALA N N 15 125.644 0.055 . 1 . . 84 . . 25 ALA N . 18351 1 264 . 1 1 26 26 THR H H 1 8.448 0.002 . 1 . . 100 . . 26 THR H . 18351 1 265 . 1 1 26 26 THR HA H 1 4.645 0.003 . 1 . . 362 . . 26 THR HA . 18351 1 266 . 1 1 26 26 THR HB H 1 3.710 0.003 . 1 . . 363 . . 26 THR HB . 18351 1 267 . 1 1 26 26 THR HG1 H 1 5.971 0.004 . 1 . . 743 . . 26 THR HG1 . 18351 1 268 . 1 1 26 26 THR HG21 H 1 0.996 0.003 . 1 . . 583 . . 26 THR HG21 . 18351 1 269 . 1 1 26 26 THR HG22 H 1 0.996 0.003 . 1 . . 583 . . 26 THR HG22 . 18351 1 270 . 1 1 26 26 THR HG23 H 1 0.996 0.003 . 1 . . 583 . . 26 THR HG23 . 18351 1 271 . 1 1 26 26 THR C C 13 173.372 0.01 . 1 . . 287 . . 26 THR C . 18351 1 272 . 1 1 26 26 THR CA C 13 59.603 0.006 . 1 . . 547 . . 26 THR CA . 18351 1 273 . 1 1 26 26 THR CB C 13 70.981 0.064 . 1 . . 174 . . 26 THR CB . 18351 1 274 . 1 1 26 26 THR CG2 C 13 17.354 0.0 . 1 . . 364 . . 26 THR CG2 . 18351 1 275 . 1 1 26 26 THR N N 15 116.331 0.076 . 1 . . 101 . . 26 THR N . 18351 1 276 . 1 1 27 27 ASP H H 1 8.898 0.003 . 1 . . 41 . . 27 ASP H . 18351 1 277 . 1 1 27 27 ASP HA H 1 4.700 0.003 . 1 . . 387 . . 27 ASP HA . 18351 1 278 . 1 1 27 27 ASP HB2 H 1 3.008 0.004 . 1 . . 388 . . 27 ASP HB2 . 18351 1 279 . 1 1 27 27 ASP HB3 H 1 2.403 0.002 . 1 . . 389 . . 27 ASP HB3 . 18351 1 280 . 1 1 27 27 ASP C C 13 178.225 0.053 . 1 . . 288 . . 27 ASP C . 18351 1 281 . 1 1 27 27 ASP CA C 13 52.097 0.009 . 1 . . 136 . . 27 ASP CA . 18351 1 282 . 1 1 27 27 ASP CB C 13 42.902 0.013 . 1 . . 137 . . 27 ASP CB . 18351 1 283 . 1 1 27 27 ASP N N 15 122.248 0.063 . 1 . . 42 . . 27 ASP N . 18351 1 284 . 1 1 28 28 VAL H H 1 8.244 0.002 . 1 . . 111 . . 28 VAL H . 18351 1 285 . 1 1 28 28 VAL HA H 1 3.771 0.003 . 1 . . 396 . . 28 VAL HA . 18351 1 286 . 1 1 28 28 VAL HB H 1 2.040 0.002 . 1 . . 397 . . 28 VAL HB . 18351 1 287 . 1 1 28 28 VAL HG11 H 1 0.862 0.002 . 1 . . 666 . . 28 VAL HG11 . 18351 1 288 . 1 1 28 28 VAL HG12 H 1 0.862 0.002 . 1 . . 666 . . 28 VAL HG12 . 18351 1 289 . 1 1 28 28 VAL HG13 H 1 0.862 0.002 . 1 . . 666 . . 28 VAL HG13 . 18351 1 290 . 1 1 28 28 VAL HG21 H 1 0.894 0.001 . 1 . . 546 . . 28 VAL HG21 . 18351 1 291 . 1 1 28 28 VAL HG22 H 1 0.894 0.001 . 1 . . 546 . . 28 VAL HG22 . 18351 1 292 . 1 1 28 28 VAL HG23 H 1 0.894 0.001 . 1 . . 546 . . 28 VAL HG23 . 18351 1 293 . 1 1 28 28 VAL C C 13 176.968 0.065 . 1 . . 252 . . 28 VAL C . 18351 1 294 . 1 1 28 28 VAL CA C 13 65.180 0.0234 . 1 . . 189 . . 28 VAL CA . 18351 1 295 . 1 1 28 28 VAL CB C 13 31.717 0.0 . 1 . . 178 . . 28 VAL CB . 18351 1 296 . 1 1 28 28 VAL CG1 C 13 20.698 0.0171 . 1 . . 398 . . 28 VAL CG1 . 18351 1 297 . 1 1 28 28 VAL CG2 C 13 21.238 0.0179 . 1 . . 665 . . 28 VAL CG2 . 18351 1 298 . 1 1 28 28 VAL N N 15 118.857 0.092 . 1 . . 112 . . 28 VAL N . 18351 1 299 . 1 1 29 29 LEU H H 1 7.236 0.003 . 1 . . 1 . . 29 LEU H . 18351 1 300 . 1 1 29 29 LEU HA H 1 4.182 0.003 . 1 . . 427 . . 29 LEU HA . 18351 1 301 . 1 1 29 29 LEU HB2 H 1 1.847 0.001 . 1 . . 428 . . 29 LEU HB2 . 18351 1 302 . 1 1 29 29 LEU HB3 H 1 1.419 0.002 . 1 . . 429 . . 29 LEU HB3 . 18351 1 303 . 1 1 29 29 LEU HG H 1 1.470 0.005 . 1 . . 564 . . 29 LEU HG . 18351 1 304 . 1 1 29 29 LEU HD11 H 1 0.711 0.002 . 1 . . 761 . . 29 LEU HD11 . 18351 1 305 . 1 1 29 29 LEU HD12 H 1 0.711 0.002 . 1 . . 761 . . 29 LEU HD12 . 18351 1 306 . 1 1 29 29 LEU HD13 H 1 0.711 0.002 . 1 . . 761 . . 29 LEU HD13 . 18351 1 307 . 1 1 29 29 LEU HD21 H 1 0.777 0.001 . 1 . . 565 . . 29 LEU HD21 . 18351 1 308 . 1 1 29 29 LEU HD22 H 1 0.777 0.001 . 1 . . 565 . . 29 LEU HD22 . 18351 1 309 . 1 1 29 29 LEU HD23 H 1 0.777 0.001 . 1 . . 565 . . 29 LEU HD23 . 18351 1 310 . 1 1 29 29 LEU C C 13 178.150 0.005 . 1 . . 251 . . 29 LEU C . 18351 1 311 . 1 1 29 29 LEU CA C 13 55.175 0.0234 . 1 . . 114 . . 29 LEU CA . 18351 1 312 . 1 1 29 29 LEU CB C 13 41.840 0.0 . 1 . . 113 . . 29 LEU CB . 18351 1 313 . 1 1 29 29 LEU CG C 13 27.207 0.0 . 1 . . 430 . . 29 LEU CG . 18351 1 314 . 1 1 29 29 LEU CD1 C 13 22.309 0.005 . 1 . . 537 . . 29 LEU CD1 . 18351 1 315 . 1 1 29 29 LEU CD2 C 13 25.272 0.0 . 1 . . 431 . . 29 LEU CD2 . 18351 1 316 . 1 1 29 29 LEU N N 15 117.669 0.071 . 1 . . 2 . . 29 LEU N . 18351 1 317 . 1 1 30 30 GLY H H 1 7.764 0.003 . 1 . . 85 . . 30 GLY H . 18351 1 318 . 1 1 30 30 GLY HA2 H 1 3.904 0.006 . 1 . . 379 . . 30 GLY HA2 . 18351 1 319 . 1 1 30 30 GLY HA3 H 1 3.762 0.006 . 1 . . 380 . . 30 GLY HA3 . 18351 1 320 . 1 1 30 30 GLY C C 13 175.244 0.001 . 1 . . 297 . . 30 GLY C . 18351 1 321 . 1 1 30 30 GLY CA C 13 46.511 0.045 . 1 . . 190 . . 30 GLY CA . 18351 1 322 . 1 1 30 30 GLY N N 15 109.595 0.056 . 1 . . 86 . . 30 GLY N . 18351 1 323 . 1 1 31 31 VAL H H 1 8.486 0.003 . 1 . . 58 . . 31 VAL H . 18351 1 324 . 1 1 31 31 VAL HA H 1 3.882 0.006 . 1 . . 353 . . 31 VAL HA . 18351 1 325 . 1 1 31 31 VAL HB H 1 1.928 0.003 . 1 . . 352 . . 31 VAL HB . 18351 1 326 . 1 1 31 31 VAL HG11 H 1 0.714 0.002 . 1 . . 669 . . 31 VAL HG11 . 18351 1 327 . 1 1 31 31 VAL HG12 H 1 0.714 0.002 . 1 . . 669 . . 31 VAL HG12 . 18351 1 328 . 1 1 31 31 VAL HG13 H 1 0.714 0.002 . 1 . . 669 . . 31 VAL HG13 . 18351 1 329 . 1 1 31 31 VAL HG21 H 1 0.711 0.007 . 1 . . 553 . . 31 VAL HG21 . 18351 1 330 . 1 1 31 31 VAL HG22 H 1 0.711 0.007 . 1 . . 553 . . 31 VAL HG22 . 18351 1 331 . 1 1 31 31 VAL HG23 H 1 0.711 0.007 . 1 . . 553 . . 31 VAL HG23 . 18351 1 332 . 1 1 31 31 VAL C C 13 176.585 0.005 . 1 . . 285 . . 31 VAL C . 18351 1 333 . 1 1 31 31 VAL CA C 13 63.063 0.005 . 1 . . 192 . . 31 VAL CA . 18351 1 334 . 1 1 31 31 VAL CB C 13 33.734 0.0213 . 1 . . 191 . . 31 VAL CB . 18351 1 335 . 1 1 31 31 VAL CG1 C 13 21.190 0.0171 . 1 . . 354 . . 31 VAL CG1 . 18351 1 336 . 1 1 31 31 VAL CG2 C 13 21.190 0.0179 . 1 . . 668 . . 31 VAL CG2 . 18351 1 337 . 1 1 31 31 VAL N N 15 120.554 0.075 . 1 . . 59 . . 31 VAL N . 18351 1 338 . 1 1 32 32 ALA H H 1 8.147 0.002 . 1 . . 49 . . 32 ALA H . 18351 1 339 . 1 1 32 32 ALA HA H 1 4.071 0.003 . 1 . . 383 . . 32 ALA HA . 18351 1 340 . 1 1 32 32 ALA HB1 H 1 1.136 0.004 . 1 . . 384 . . 32 ALA HB1 . 18351 1 341 . 1 1 32 32 ALA HB2 H 1 1.136 0.004 . 1 . . 384 . . 32 ALA HB2 . 18351 1 342 . 1 1 32 32 ALA HB3 H 1 1.136 0.004 . 1 . . 384 . . 32 ALA HB3 . 18351 1 343 . 1 1 32 32 ALA C C 13 176.416 0.017 . 1 . . 286 . . 32 ALA C . 18351 1 344 . 1 1 32 32 ALA CA C 13 52.287 0.01 . 1 . . 194 . . 32 ALA CA . 18351 1 345 . 1 1 32 32 ALA CB C 13 20.394 0.033 . 1 . . 193 . . 32 ALA CB . 18351 1 346 . 1 1 32 32 ALA N N 15 123.297 0.055 . 1 . . 50 . . 32 ALA N . 18351 1 347 . 1 1 33 33 ASP H H 1 8.305 0.006 . 1 . . 5 . . 33 ASP H . 18351 1 348 . 1 1 33 33 ASP HA H 1 4.915 0.002 . 1 . . 481 . . 33 ASP HA . 18351 1 349 . 1 1 33 33 ASP HB2 H 1 2.305 0.002 . 1 . . 558 . . 33 ASP HB2 . 18351 1 350 . 1 1 33 33 ASP HB3 H 1 2.214 0.004 . 1 . . 559 . . 33 ASP HB3 . 18351 1 351 . 1 1 33 33 ASP C C 13 173.648 0.016 . 1 . . 479 . . 33 ASP C . 18351 1 352 . 1 1 33 33 ASP CA C 13 54.867 0.025 . 1 . . 195 . . 33 ASP CA . 18351 1 353 . 1 1 33 33 ASP CB C 13 43.997 0.021 . 1 . . 196 . . 33 ASP CB . 18351 1 354 . 1 1 33 33 ASP N N 15 119.798 0.079 . 1 . . 6 . . 33 ASP N . 18351 1 355 . 1 1 34 34 LEU H H 1 8.101 0.003 . 1 . . 15 . . 34 LEU H . 18351 1 356 . 1 1 34 34 LEU HA H 1 4.493 0.002 . 1 . . 485 . . 34 LEU HA . 18351 1 357 . 1 1 34 34 LEU HB2 H 1 1.316 0.003 . 1 . . 487 . . 34 LEU HB2 . 18351 1 358 . 1 1 34 34 LEU HB3 H 1 1.096 0.005 . 1 . . 486 . . 34 LEU HB3 . 18351 1 359 . 1 1 34 34 LEU HG H 1 1.146 0.001 . 1 . . 611 . . 34 LEU HG . 18351 1 360 . 1 1 34 34 LEU HD11 H 1 0.555 0.002 . 1 . . 570 . . 34 LEU HD11 . 18351 1 361 . 1 1 34 34 LEU HD12 H 1 0.555 0.002 . 1 . . 570 . . 34 LEU HD12 . 18351 1 362 . 1 1 34 34 LEU HD13 H 1 0.555 0.002 . 1 . . 570 . . 34 LEU HD13 . 18351 1 363 . 1 1 34 34 LEU HD21 H 1 0.661 0.003 . 1 . . 728 . . 34 LEU HD21 . 18351 1 364 . 1 1 34 34 LEU HD22 H 1 0.661 0.003 . 1 . . 728 . . 34 LEU HD22 . 18351 1 365 . 1 1 34 34 LEU HD23 H 1 0.661 0.003 . 1 . . 728 . . 34 LEU HD23 . 18351 1 366 . 1 1 34 34 LEU C C 13 175.020 0.024 . 1 . . 480 . . 34 LEU C . 18351 1 367 . 1 1 34 34 LEU CA C 13 53.248 0.027 . 1 . . 198 . . 34 LEU CA . 18351 1 368 . 1 1 34 34 LEU CB C 13 45.121 0.0 . 1 . . 197 . . 34 LEU CB . 18351 1 369 . 1 1 34 34 LEU CG C 13 27.144 0.02 . 1 . . 539 . . 34 LEU CG . 18351 1 370 . 1 1 34 34 LEU CD1 C 13 25.424 0.017 . 1 . . 541 . . 34 LEU CD1 . 18351 1 371 . 1 1 34 34 LEU CD2 C 13 23.227 0.008 . 1 . . 540 . . 34 LEU CD2 . 18351 1 372 . 1 1 34 34 LEU N N 15 123.335 0.065 . 1 . . 16 . . 34 LEU N . 18351 1 373 . 1 1 35 35 ASP H H 1 8.844 0.013 . 1 . . 104 . . 35 ASP H . 18351 1 374 . 1 1 35 35 ASP HA H 1 4.112 0.005 . 1 . . 482 . . 35 ASP HA . 18351 1 375 . 1 1 35 35 ASP HB2 H 1 2.738 0.003 . 1 . . 518 . . 35 ASP HB2 . 18351 1 376 . 1 1 35 35 ASP HB3 H 1 2.387 0.003 . 1 . . 517 . . 35 ASP HB3 . 18351 1 377 . 1 1 35 35 ASP C C 13 175.066 0.003 . 1 . . 483 . . 35 ASP C . 18351 1 378 . 1 1 35 35 ASP CA C 13 54.918 0.008 . 1 . . 710 . . 35 ASP CA . 18351 1 379 . 1 1 35 35 ASP CB C 13 39.290 0.013 . 1 . . 516 . . 35 ASP CB . 18351 1 380 . 1 1 35 35 ASP N N 15 119.125 0.048 . 1 . . 105 . . 35 ASP N . 18351 1 381 . 1 1 36 36 CYS H H 1 8.066 0.009 . 1 . . 23 . . 36 CYS H . 18351 1 382 . 1 1 36 36 CYS HA H 1 5.253 0.005 . 1 . . 328 . . 36 CYS HA . 18351 1 383 . 1 1 36 36 CYS HB2 H 1 3.088 0.002 . 1 . . 329 . . 36 CYS HB2 . 18351 1 384 . 1 1 36 36 CYS HB3 H 1 2.574 0.003 . 1 . . 331 . . 36 CYS HB3 . 18351 1 385 . 1 1 36 36 CYS C C 13 175.637 0.013 . 1 . . 484 . . 36 CYS C . 18351 1 386 . 1 1 36 36 CYS CA C 13 57.286 0.045 . 1 . . 332 . . 36 CYS CA . 18351 1 387 . 1 1 36 36 CYS CB C 13 42.770 . . 1 . . 333 . . 36 CYS CB . 18351 1 388 . 1 1 36 36 CYS N N 15 115.304 0.061 . 1 . . 24 . . 36 CYS N . 18351 1 389 . 1 1 37 37 ALA H H 1 8.845 0.004 . 1 . . 97 . . 37 ALA H . 18351 1 390 . 1 1 37 37 ALA HA H 1 4.435 0.003 . 1 . . 392 . . 37 ALA HA . 18351 1 391 . 1 1 37 37 ALA HB1 H 1 1.317 0.003 . 1 . . 393 . . 37 ALA HB1 . 18351 1 392 . 1 1 37 37 ALA HB2 H 1 1.317 0.003 . 1 . . 393 . . 37 ALA HB2 . 18351 1 393 . 1 1 37 37 ALA HB3 H 1 1.317 0.003 . 1 . . 393 . . 37 ALA HB3 . 18351 1 394 . 1 1 37 37 ALA C C 13 175.906 0.015 . 1 . . 289 . . 37 ALA C . 18351 1 395 . 1 1 37 37 ALA CA C 13 51.425 0.058 . 1 . . 173 . . 37 ALA CA . 18351 1 396 . 1 1 37 37 ALA CB C 13 22.490 0.03 . 1 . . 172 . . 37 ALA CB . 18351 1 397 . 1 1 37 37 ALA N N 15 123.681 0.047 . 1 . . 330 . . 37 ALA N . 18351 1 398 . 1 1 38 38 ASN H H 1 8.607 0.002 . 1 . . 106 . . 38 ASN H . 18351 1 399 . 1 1 38 38 ASN HA H 1 4.608 0.005 . 1 . . 531 . . 38 ASN HA . 18351 1 400 . 1 1 38 38 ASN HB2 H 1 2.672 0.007 . 1 . . 530 . . 38 ASN HB2 . 18351 1 401 . 1 1 38 38 ASN HB3 H 1 2.490 0.004 . 1 . . 529 . . 38 ASN HB3 . 18351 1 402 . 1 1 38 38 ASN HD21 H 1 7.561 0.001 . 1 . . 526 . . 38 ASN HD21 . 18351 1 403 . 1 1 38 38 ASN HD22 H 1 6.735 0.004 . 1 . . 527 . . 38 ASN HD22 . 18351 1 404 . 1 1 38 38 ASN C C 13 173.857 0.020174 . 1 . . 307 . . 38 ASN C . 18351 1 405 . 1 1 38 38 ASN CA C 13 52.048 0.038 . 1 . . 206 . . 38 ASN CA . 18351 1 406 . 1 1 38 38 ASN CB C 13 36.408 0.029 . 1 . . 205 . . 38 ASN CB . 18351 1 407 . 1 1 38 38 ASN N N 15 118.773 0.091 . 1 . . 107 . . 38 ASN N . 18351 1 408 . 1 1 38 38 ASN ND2 N 15 111.341 0.037 . 1 . . 528 . . 38 ASN ND2 . 18351 1 409 . 1 1 39 39 PRO HA H 1 4.5711 0.00151 . 1 . . 759 . . 39 PRO HA . 18351 1 410 . 1 1 39 39 PRO HB2 H 1 2.17888 0.00168 . 1 . . 778 . . 39 PRO HB2 . 18351 1 411 . 1 1 39 39 PRO HB3 H 1 2.179 0.00172 . 1 . . 777 . . 39 PRO HB3 . 18351 1 412 . 1 1 39 39 PRO HG2 H 1 1.82526 0.00141 . 1 . . 781 . . 39 PRO HG2 . 18351 1 413 . 1 1 39 39 PRO HG3 H 1 1.8253 0.00144 . 1 . . 780 . . 39 PRO HG3 . 18351 1 414 . 1 1 39 39 PRO HD2 H 1 3.96049 0.00314 . 1 . . 744 . . 39 PRO HD2 . 18351 1 415 . 1 1 39 39 PRO HD3 H 1 3.40512 0.0022 . 1 . . 758 . . 39 PRO HD3 . 18351 1 416 . 1 1 39 39 PRO CA C 13 61.13855 0.04278 . 1 . . 775 . . 39 PRO CA . 18351 1 417 . 1 1 39 39 PRO CB C 13 31.3757 0.02861 . 1 . . 779 . . 39 PRO CB . 18351 1 418 . 1 1 39 39 PRO CG C 13 28.78 0.0213 . 1 . . 782 . . 39 PRO CG . 18351 1 419 . 1 1 39 39 PRO CD C 13 50.39395 0.01616 . 1 . . 776 . . 39 PRO CD . 18351 1 420 . 1 1 40 40 PRO HA H 1 4.441 0.001 . 1 . . 373 . . 40 PRO HA . 18351 1 421 . 1 1 40 40 PRO HB2 H 1 2.152 0.005 . 1 . . 374 . . 40 PRO HB2 . 18351 1 422 . 1 1 40 40 PRO HB3 H 1 1.951 0.003 . 1 . . 375 . . 40 PRO HB3 . 18351 1 423 . 1 1 40 40 PRO HG2 H 1 1.866 0.004 . 1 . . 633 . . 40 PRO HG2 . 18351 1 424 . 1 1 40 40 PRO HG3 H 1 1.680 0.003 . 1 . . 634 . . 40 PRO HG3 . 18351 1 425 . 1 1 40 40 PRO HD2 H 1 3.764 0.005 . 1 . . 741 . . 40 PRO HD2 . 18351 1 426 . 1 1 40 40 PRO HD3 H 1 3.238 0.004 . 1 . . 740 . . 40 PRO HD3 . 18351 1 427 . 1 1 40 40 PRO C C 13 174.477 0.062 . 1 . . 269 . . 40 PRO C . 18351 1 428 . 1 1 40 40 PRO CA C 13 63.465 0.033 . 1 . . 239 . . 40 PRO CA . 18351 1 429 . 1 1 40 40 PRO CB C 13 30.389 0.003 . 1 . . 238 . . 40 PRO CB . 18351 1 430 . 1 1 40 40 PRO CG C 13 27.290 0.072 . 1 . . 376 . . 40 PRO CG . 18351 1 431 . 1 1 40 40 PRO CD C 13 50.827 0.06 . 1 . . 742 . . 40 PRO CD . 18351 1 432 . 1 1 41 41 ALA H H 1 7.231 0.003 . 1 . . 235 . . 41 ALA H . 18351 1 433 . 1 1 41 41 ALA HA H 1 4.398 0.004 . 1 . . 404 . . 41 ALA HA . 18351 1 434 . 1 1 41 41 ALA HB1 H 1 1.176 0.003 . 1 . . 405 . . 41 ALA HB1 . 18351 1 435 . 1 1 41 41 ALA HB2 H 1 1.176 0.003 . 1 . . 405 . . 41 ALA HB2 . 18351 1 436 . 1 1 41 41 ALA HB3 H 1 1.176 0.003 . 1 . . 405 . . 41 ALA HB3 . 18351 1 437 . 1 1 41 41 ALA C C 13 176.259 0.02 . 1 . . 268 . . 41 ALA C . 18351 1 438 . 1 1 41 41 ALA CA C 13 51.368 0.001 . 1 . . 236 . . 41 ALA CA . 18351 1 439 . 1 1 41 41 ALA CB C 13 22.619 0.069 . 1 . . 237 . . 41 ALA CB . 18351 1 440 . 1 1 41 41 ALA N N 15 120.790 0.075 . 1 . . 53 . . 41 ALA N . 18351 1 441 . 1 1 42 42 THR H H 1 8.300 0.006 . 1 . . 39 . . 42 THR H . 18351 1 442 . 1 1 42 42 THR HA H 1 4.035 0.002 . 1 . . 489 . . 42 THR HA . 18351 1 443 . 1 1 42 42 THR HB H 1 3.881 0.003 . 1 . . 490 . . 42 THR HB . 18351 1 444 . 1 1 42 42 THR HG21 H 1 1.070 0.003 . 1 . . 584 . . 42 THR HG21 . 18351 1 445 . 1 1 42 42 THR HG22 H 1 1.070 0.003 . 1 . . 584 . . 42 THR HG22 . 18351 1 446 . 1 1 42 42 THR HG23 H 1 1.070 0.003 . 1 . . 584 . . 42 THR HG23 . 18351 1 447 . 1 1 42 42 THR C C 13 174.682 0.029 . 1 . . 295 . . 42 THR C . 18351 1 448 . 1 1 42 42 THR CA C 13 62.905 0.017 . 1 . . 175 . . 42 THR CA . 18351 1 449 . 1 1 42 42 THR CB C 13 68.940 0.004 . 1 . . 234 . . 42 THR CB . 18351 1 450 . 1 1 42 42 THR CG2 C 13 22.002 0.022 . 1 . . 342 . . 42 THR CG2 . 18351 1 451 . 1 1 42 42 THR N N 15 116.566 0.116 . 1 . . 40 . . 42 THR N . 18351 1 452 . 1 1 43 43 LEU H H 1 8.547 0.002 . 1 . . 37 . . 43 LEU H . 18351 1 453 . 1 1 43 43 LEU HA H 1 4.640 0.004 . 1 . . 488 . . 43 LEU HA . 18351 1 454 . 1 1 43 43 LEU HB2 H 1 1.823 0.006 . 1 . . 571 . . 43 LEU HB2 . 18351 1 455 . 1 1 43 43 LEU HB3 H 1 0.997 0.006 . 1 . . 572 . . 43 LEU HB3 . 18351 1 456 . 1 1 43 43 LEU HG H 1 1.616 0.005 . 1 . . 560 . . 43 LEU HG . 18351 1 457 . 1 1 43 43 LEU HD11 H 1 0.033 0.007 . 1 . . 614 . . 43 LEU HD11 . 18351 1 458 . 1 1 43 43 LEU HD12 H 1 0.033 0.007 . 1 . . 614 . . 43 LEU HD12 . 18351 1 459 . 1 1 43 43 LEU HD13 H 1 0.033 0.007 . 1 . . 614 . . 43 LEU HD13 . 18351 1 460 . 1 1 43 43 LEU HD21 H 1 0.394 0.004 . 1 . . 615 . . 43 LEU HD21 . 18351 1 461 . 1 1 43 43 LEU HD22 H 1 0.394 0.004 . 1 . . 615 . . 43 LEU HD22 . 18351 1 462 . 1 1 43 43 LEU HD23 H 1 0.394 0.004 . 1 . . 615 . . 43 LEU HD23 . 18351 1 463 . 1 1 43 43 LEU C C 13 178.154 0.020174 . 1 . . 248 . . 43 LEU C . 18351 1 464 . 1 1 43 43 LEU CA C 13 54.315 0.059 . 1 . . 233 . . 43 LEU CA . 18351 1 465 . 1 1 43 43 LEU CB C 13 43.658 0.073 . 1 . . 232 . . 43 LEU CB . 18351 1 466 . 1 1 43 43 LEU CG C 13 25.869 0.084 . 1 . . 612 . . 43 LEU CG . 18351 1 467 . 1 1 43 43 LEU CD1 C 13 24.925 0.024 . 1 . . 763 . . 43 LEU CD1 . 18351 1 468 . 1 1 43 43 LEU CD2 C 13 22.986 0.031 . 1 . . 613 . . 43 LEU CD2 . 18351 1 469 . 1 1 43 43 LEU N N 15 127.092 0.087 . 1 . . 38 . . 43 LEU N . 18351 1 470 . 1 1 44 44 ALA H H 1 7.804 0.001 . 1 . . 750 . . 44 ALA H . 18351 1 471 . 1 1 44 44 ALA HA H 1 4.213 0.004 . 1 . . 437 . . 44 ALA HA . 18351 1 472 . 1 1 44 44 ALA HB1 H 1 1.043 0.002 . 1 . . 436 . . 44 ALA HB1 . 18351 1 473 . 1 1 44 44 ALA HB2 H 1 1.043 0.002 . 1 . . 436 . . 44 ALA HB2 . 18351 1 474 . 1 1 44 44 ALA HB3 H 1 1.043 0.002 . 1 . . 436 . . 44 ALA HB3 . 18351 1 475 . 1 1 44 44 ALA C C 13 177.412 0.020174 . 1 . . 278 . . 44 ALA C . 18351 1 476 . 1 1 44 44 ALA CA C 13 53.950 0.023 . 1 . . 132 . . 44 ALA CA . 18351 1 477 . 1 1 44 44 ALA CB C 13 20.842 0.038 . 1 . . 131 . . 44 ALA CB . 18351 1 478 . 1 1 45 45 ASN H H 1 7.141 0.005 . 1 . . 91 . . 45 ASN H . 18351 1 479 . 1 1 45 45 ASN HA H 1 2.523 0.002 . 1 . . 525 . . 45 ASN HA . 18351 1 480 . 1 1 45 45 ASN HB2 H 1 3.070 0.001 . 1 . . 491 . . 45 ASN HB2 . 18351 1 481 . 1 1 45 45 ASN HB3 H 1 2.572 0.002 . 1 . . 594 . . 45 ASN HB3 . 18351 1 482 . 1 1 45 45 ASN HD21 H 1 7.376 0.001 . 1 . . 523 . . 45 ASN HD21 . 18351 1 483 . 1 1 45 45 ASN HD22 H 1 6.652 0.003 . 1 . . 524 . . 45 ASN HD22 . 18351 1 484 . 1 1 45 45 ASN C C 13 174.728 0.027 . 1 . . 273 . . 45 ASN C . 18351 1 485 . 1 1 45 45 ASN CA C 13 51.311 0.0 . 1 . . 129 . . 45 ASN CA . 18351 1 486 . 1 1 45 45 ASN CB C 13 38.184 0.01 . 1 . . 130 . . 45 ASN CB . 18351 1 487 . 1 1 45 45 ASN N N 15 108.814 0.059 . 1 . . 92 . . 45 ASN N . 18351 1 488 . 1 1 45 45 ASN ND2 N 15 115.521 0.042 . 1 . . 522 . . 45 ASN ND2 . 18351 1 489 . 1 1 46 46 ALA H H 1 8.626 0.004 . 1 . . 45 . . 46 ALA H . 18351 1 490 . 1 1 46 46 ALA HA H 1 4.474 0.004 . 1 . . 415 . . 46 ALA HA . 18351 1 491 . 1 1 46 46 ALA HB1 H 1 1.401 0.004 . 1 . . 416 . . 46 ALA HB1 . 18351 1 492 . 1 1 46 46 ALA HB2 H 1 1.401 0.004 . 1 . . 416 . . 46 ALA HB2 . 18351 1 493 . 1 1 46 46 ALA HB3 H 1 1.401 0.004 . 1 . . 416 . . 46 ALA HB3 . 18351 1 494 . 1 1 46 46 ALA C C 13 179.290 0.01 . 1 . . 272 . . 46 ALA C . 18351 1 495 . 1 1 46 46 ALA CA C 13 56.308 0.068 . 1 . . 133 . . 46 ALA CA . 18351 1 496 . 1 1 46 46 ALA CB C 13 18.087 0.043 . 1 . . 134 . . 46 ALA CB . 18351 1 497 . 1 1 46 46 ALA N N 15 123.396 0.067 . 1 . . 46 . . 46 ALA N . 18351 1 498 . 1 1 47 47 THR H H 1 7.993 0.003 . 1 . . 89 . . 47 THR H . 18351 1 499 . 1 1 47 47 THR HA H 1 3.865 0.002 . 1 . . 321 . . 47 THR HA . 18351 1 500 . 1 1 47 47 THR HB H 1 3.998 0.003 . 1 . . 320 . . 47 THR HB . 18351 1 501 . 1 1 47 47 THR HG21 H 1 1.128 0.005 . 1 . . 586 . . 47 THR HG21 . 18351 1 502 . 1 1 47 47 THR HG22 H 1 1.128 0.005 . 1 . . 586 . . 47 THR HG22 . 18351 1 503 . 1 1 47 47 THR HG23 H 1 1.128 0.005 . 1 . . 586 . . 47 THR HG23 . 18351 1 504 . 1 1 47 47 THR C C 13 176.908 0.020174 . 1 . . 299 . . 47 THR C . 18351 1 505 . 1 1 47 47 THR CA C 13 66.569 0.009 . 1 . . 161 . . 47 THR CA . 18351 1 506 . 1 1 47 47 THR CB C 13 68.479 0.034 . 1 . . 160 . . 47 THR CB . 18351 1 507 . 1 1 47 47 THR CG2 C 13 21.997 0.013 . 1 . . 738 . . 47 THR CG2 . 18351 1 508 . 1 1 47 47 THR N N 15 115.121 0.058 . 1 . . 90 . . 47 THR N . 18351 1 509 . 1 1 48 48 HIS H H 1 8.529 0.003 . 1 . . 64 . . 48 HIS H . 18351 1 510 . 1 1 48 48 HIS HA H 1 4.498 0.004 . 1 . . 492 . . 48 HIS HA . 18351 1 511 . 1 1 48 48 HIS HB2 H 1 3.118 0.003 . 1 . . 552 . . 48 HIS HB2 . 18351 1 512 . 1 1 48 48 HIS HB3 H 1 2.940 0.003 . 1 . . 551 . . 48 HIS HB3 . 18351 1 513 . 1 1 48 48 HIS HD2 H 1 6.899 0.002 . 1 . . 717 . . 48 HIS HD2 . 18351 1 514 . 1 1 48 48 HIS C C 13 178.892 0.011 . 1 . . 300 . . 48 HIS C . 18351 1 515 . 1 1 48 48 HIS CA C 13 58.543 0.075 . 1 . . 135 . . 48 HIS CA . 18351 1 516 . 1 1 48 48 HIS CB C 13 32.948 0.041 . 1 . . 215 . . 48 HIS CB . 18351 1 517 . 1 1 48 48 HIS CD2 C 13 115.953 0.088 . 1 . . 718 . . 48 HIS CD2 . 18351 1 518 . 1 1 48 48 HIS N N 15 124.271 0.083 . 1 . . 65 . . 48 HIS N . 18351 1 519 . 1 1 49 49 PHE H H 1 8.498 0.004 . 1 . . 216 . . 49 PHE H . 18351 1 520 . 1 1 49 49 PHE HA H 1 4.498 0.006 . 1 . . 609 . . 49 PHE HA . 18351 1 521 . 1 1 49 49 PHE HB2 H 1 3.932 0.004 . 1 . . 580 . . 49 PHE HB2 . 18351 1 522 . 1 1 49 49 PHE HB3 H 1 3.291 0.004 . 1 . . 581 . . 49 PHE HB3 . 18351 1 523 . 1 1 49 49 PHE HD1 H 1 7.392 0.002 . 3 . . 747 . . 49 PHE HD1 . 18351 1 524 . 1 1 49 49 PHE HD2 H 1 7.392 0.002 . 3 . . 747 . . 49 PHE HD2 . 18351 1 525 . 1 1 49 49 PHE HE1 H 1 6.935 0.003 . 3 . . 748 . . 49 PHE HE1 . 18351 1 526 . 1 1 49 49 PHE HE2 H 1 6.935 0.003 . 3 . . 748 . . 49 PHE HE2 . 18351 1 527 . 1 1 49 49 PHE HZ H 1 7.618 0.002 . 1 . . 749 . . 49 PHE HZ . 18351 1 528 . 1 1 49 49 PHE C C 13 176.641 0.002 . 1 . . 337 . . 49 PHE C . 18351 1 529 . 1 1 49 49 PHE CA C 13 57.758 0.056 . 1 . . 218 . . 49 PHE CA . 18351 1 530 . 1 1 49 49 PHE CB C 13 38.259 0.034 . 1 . . 336 . . 49 PHE CB . 18351 1 531 . 1 1 49 49 PHE N N 15 124.704 0.061 . 1 . . 217 . . 49 PHE N . 18351 1 532 . 1 1 50 50 GLU H H 1 8.252 0.002 . 1 . . 43 . . 50 GLU H . 18351 1 533 . 1 1 50 50 GLU HA H 1 3.780 0.003 . 1 . . 412 . . 50 GLU HA . 18351 1 534 . 1 1 50 50 GLU HB2 H 1 2.147 0.004 . 1 . . 413 . . 50 GLU HB2 . 18351 1 535 . 1 1 50 50 GLU HB3 H 1 2.056 0.002 . 1 . . 414 . . 50 GLU HB3 . 18351 1 536 . 1 1 50 50 GLU HG2 H 1 2.151 0.002 . 1 . . 567 . . 50 GLU HG2 . 18351 1 537 . 1 1 50 50 GLU HG3 H 1 2.151 0.003 . 1 . . 729 . . 50 GLU HG3 . 18351 1 538 . 1 1 50 50 GLU C C 13 179.406 0.004 . 1 . . 302 . . 50 GLU C . 18351 1 539 . 1 1 50 50 GLU CA C 13 59.790 0.016 . 1 . . 170 . . 50 GLU CA . 18351 1 540 . 1 1 50 50 GLU CB C 13 29.368 0.023 . 1 . . 171 . . 50 GLU CB . 18351 1 541 . 1 1 50 50 GLU CG C 13 35.078 0.0 . 1 . . 411 . . 50 GLU CG . 18351 1 542 . 1 1 50 50 GLU N N 15 119.243 0.047 . 1 . . 44 . . 50 GLU N . 18351 1 543 . 1 1 51 51 SER H H 1 8.729 0.002 . 1 . . 51 . . 51 SER H . 18351 1 544 . 1 1 51 51 SER HA H 1 4.132 0.001 . 1 . . 368 . . 51 SER HA . 18351 1 545 . 1 1 51 51 SER HB2 H 1 3.926 0.002 . 1 . . 369 . . 51 SER HB2 . 18351 1 546 . 1 1 51 51 SER HB3 H 1 3.860 0.001 . 1 . . 370 . . 51 SER HB3 . 18351 1 547 . 1 1 51 51 SER C C 13 177.458 0.020174 . 1 . . 304 . . 51 SER C . 18351 1 548 . 1 1 51 51 SER CA C 13 61.804 0.0234 . 1 . . 163 . . 51 SER CA . 18351 1 549 . 1 1 51 51 SER CB C 13 62.723 0.035 . 1 . . 162 . . 51 SER CB . 18351 1 550 . 1 1 51 51 SER N N 15 115.471 0.067 . 1 . . 52 . . 51 SER N . 18351 1 551 . 1 1 52 52 THR H H 1 8.520 0.005 . 1 . . 72 . . 52 THR H . 18351 1 552 . 1 1 52 52 THR HA H 1 3.752 0.004 . 1 . . 494 . . 52 THR HA . 18351 1 553 . 1 1 52 52 THR HB H 1 4.260 0.005 . 1 . . 403 . . 52 THR HB . 18351 1 554 . 1 1 52 52 THR HG21 H 1 0.952 0.007 . 1 . . 585 . . 52 THR HG21 . 18351 1 555 . 1 1 52 52 THR HG22 H 1 0.952 0.007 . 1 . . 585 . . 52 THR HG22 . 18351 1 556 . 1 1 52 52 THR HG23 H 1 0.952 0.007 . 1 . . 585 . . 52 THR HG23 . 18351 1 557 . 1 1 52 52 THR C C 13 176.565 0.020174 . 1 . . 493 . . 52 THR C . 18351 1 558 . 1 1 52 52 THR CA C 13 67.127 0.047 . 1 . . 213 . . 52 THR CA . 18351 1 559 . 1 1 52 52 THR CB C 13 68.337 0.02 . 1 . . 214 . . 52 THR CB . 18351 1 560 . 1 1 52 52 THR CG2 C 13 20.694 0.039 . 1 . . 402 . . 52 THR CG2 . 18351 1 561 . 1 1 52 52 THR N N 15 121.712 0.097 . 1 . . 73 . . 52 THR N . 18351 1 562 . 1 1 53 53 CYS H H 1 7.624 0.004 . 1 . . 70 . . 53 CYS H . 18351 1 563 . 1 1 53 53 CYS HA H 1 4.513 0.003 . 1 . . 348 . . 53 CYS HA . 18351 1 564 . 1 1 53 53 CYS HB2 H 1 2.394 0.006 . 1 . . 349 . . 53 CYS HB2 . 18351 1 565 . 1 1 53 53 CYS HB3 H 1 2.273 0.001 . 1 . . 350 . . 53 CYS HB3 . 18351 1 566 . 1 1 53 53 CYS C C 13 177.488 0.029 . 1 . . 298 . . 53 CYS C . 18351 1 567 . 1 1 53 53 CYS CA C 13 54.211 0.034 . 1 . . 158 . . 53 CYS CA . 18351 1 568 . 1 1 53 53 CYS CB C 13 34.237 0.0213 . 1 . . 159 . . 53 CYS CB . 18351 1 569 . 1 1 53 53 CYS N N 15 116.803 0.067 . 1 . . 71 . . 53 CYS N . 18351 1 570 . 1 1 54 54 ALA H H 1 8.770 0.009 . 1 . . 54 . . 54 ALA H . 18351 1 571 . 1 1 54 54 ALA HA H 1 4.265 0.004 . 1 . . 372 . . 54 ALA HA . 18351 1 572 . 1 1 54 54 ALA HB1 H 1 1.409 0.003 . 1 . . 371 . . 54 ALA HB1 . 18351 1 573 . 1 1 54 54 ALA HB2 H 1 1.409 0.003 . 1 . . 371 . . 54 ALA HB2 . 18351 1 574 . 1 1 54 54 ALA HB3 H 1 1.409 0.003 . 1 . . 371 . . 54 ALA HB3 . 18351 1 575 . 1 1 54 54 ALA C C 13 181.576 0.026 . 1 . . 264 . . 54 ALA C . 18351 1 576 . 1 1 54 54 ALA CA C 13 55.394 0.0 . 1 . . 157 . . 54 ALA CA . 18351 1 577 . 1 1 54 54 ALA CB C 13 18.010 0.038 . 1 . . 156 . . 54 ALA CB . 18351 1 578 . 1 1 54 54 ALA N N 15 125.608 0.072 . 1 . . 55 . . 54 ALA N . 18351 1 579 . 1 1 55 55 ALA H H 1 7.704 0.003 . 1 . . 82 . . 55 ALA H . 18351 1 580 . 1 1 55 55 ALA HA H 1 4.105 0.003 . 1 . . 434 . . 55 ALA HA . 18351 1 581 . 1 1 55 55 ALA HB1 H 1 1.470 0.006 . 1 . . 435 . . 55 ALA HB1 . 18351 1 582 . 1 1 55 55 ALA HB2 H 1 1.470 0.006 . 1 . . 435 . . 55 ALA HB2 . 18351 1 583 . 1 1 55 55 ALA HB3 H 1 1.470 0.006 . 1 . . 435 . . 55 ALA HB3 . 18351 1 584 . 1 1 55 55 ALA C C 13 179.175 0.007 . 1 . . 263 . . 55 ALA C . 18351 1 585 . 1 1 55 55 ALA CA C 13 54.695 0.02 . 1 . . 141 . . 55 ALA CA . 18351 1 586 . 1 1 55 55 ALA CB C 13 18.421 0.032 . 1 . . 142 . . 55 ALA CB . 18351 1 587 . 1 1 55 55 ALA N N 15 120.785 0.067 . 1 . . 240 . . 55 ALA N . 18351 1 588 . 1 1 56 56 ILE H H 1 7.044 0.002 . 1 . . 25 . . 56 ILE H . 18351 1 589 . 1 1 56 56 ILE HA H 1 4.570 0.002 . 1 . . 424 . . 56 ILE HA . 18351 1 590 . 1 1 56 56 ILE HB H 1 2.142 0.004 . 1 . . 423 . . 56 ILE HB . 18351 1 591 . 1 1 56 56 ILE HG12 H 1 1.181 0.003 . 1 . . 568 . . 56 ILE HG12 . 18351 1 592 . 1 1 56 56 ILE HG13 H 1 1.179 0.004 . 1 . . 760 . . 56 ILE HG13 . 18351 1 593 . 1 1 56 56 ILE HG21 H 1 0.787 0.003 . 1 . . 543 . . 56 ILE HG21 . 18351 1 594 . 1 1 56 56 ILE HG22 H 1 0.787 0.003 . 1 . . 543 . . 56 ILE HG22 . 18351 1 595 . 1 1 56 56 ILE HG23 H 1 0.787 0.003 . 1 . . 543 . . 56 ILE HG23 . 18351 1 596 . 1 1 56 56 ILE HD11 H 1 0.664 0.003 . 1 . . 569 . . 56 ILE HD11 . 18351 1 597 . 1 1 56 56 ILE HD12 H 1 0.664 0.003 . 1 . . 569 . . 56 ILE HD12 . 18351 1 598 . 1 1 56 56 ILE HD13 H 1 0.664 0.003 . 1 . . 569 . . 56 ILE HD13 . 18351 1 599 . 1 1 56 56 ILE C C 13 176.009 0.038 . 1 . . 283 . . 56 ILE C . 18351 1 600 . 1 1 56 56 ILE CA C 13 60.493 0.049 . 1 . . 138 . . 56 ILE CA . 18351 1 601 . 1 1 56 56 ILE CB C 13 37.674 0.028 . 1 . . 139 . . 56 ILE CB . 18351 1 602 . 1 1 56 56 ILE CG1 C 13 27.142 0.025 . 1 . . 425 . . 56 ILE CG1 . 18351 1 603 . 1 1 56 56 ILE CG2 C 13 17.931 0.042 . 1 . . 426 . . 56 ILE CG2 . 18351 1 604 . 1 1 56 56 ILE CD1 C 13 14.218 0.047 . 1 . . 536 . . 56 ILE CD1 . 18351 1 605 . 1 1 56 56 ILE N N 15 108.842 0.06 . 1 . . 26 . . 56 ILE N . 18351 1 606 . 1 1 57 57 GLY H H 1 7.830 0.002 . 1 . . 109 . . 57 GLY H . 18351 1 607 . 1 1 57 57 GLY HA2 H 1 3.904 0.001 . 1 . . 381 . . 57 GLY HA2 . 18351 1 608 . 1 1 57 57 GLY HA3 H 1 3.744 0.001 . 1 . . 382 . . 57 GLY HA3 . 18351 1 609 . 1 1 57 57 GLY C C 13 174.849 0.015 . 1 . . 291 . . 57 GLY C . 18351 1 610 . 1 1 57 57 GLY CA C 13 46.488 0.006 . 1 . . 140 . . 57 GLY CA . 18351 1 611 . 1 1 57 57 GLY N N 15 109.815 0.048 . 1 . . 110 . . 57 GLY N . 18351 1 612 . 1 1 58 58 GLN H H 1 7.832 0.002 . 1 . . 33 . . 58 GLN H . 18351 1 613 . 1 1 58 58 GLN HA H 1 4.417 0.004 . 1 . . 495 . . 58 GLN HA . 18351 1 614 . 1 1 58 58 GLN HB2 H 1 1.810 0.001 . 1 . . 636 . . 58 GLN HB2 . 18351 1 615 . 1 1 58 58 GLN HB3 H 1 1.404 0.003 . 1 . . 637 . . 58 GLN HB3 . 18351 1 616 . 1 1 58 58 GLN HG2 H 1 2.317 0.003 . 1 . . 635 . . 58 GLN HG2 . 18351 1 617 . 1 1 58 58 GLN HG3 H 1 1.693 0.003 . 1 . . 788 . . 58 GLN HG3 . 18351 1 618 . 1 1 58 58 GLN HE21 H 1 7.071 0.002 . 1 . . 519 . . 58 GLN HE21 . 18351 1 619 . 1 1 58 58 GLN HE22 H 1 6.101 0.002 . 1 . . 521 . . 58 GLN HE22 . 18351 1 620 . 1 1 58 58 GLN C C 13 173.716 0.021 . 1 . . 306 . . 58 GLN C . 18351 1 621 . 1 1 58 58 GLN CA C 13 55.009 0.007 . 1 . . 144 . . 58 GLN CA . 18351 1 622 . 1 1 58 58 GLN CB C 13 32.954 0.0213 . 1 . . 143 . . 58 GLN CB . 18351 1 623 . 1 1 58 58 GLN CG C 13 34.585 0.001 . 1 . . 787 . . 58 GLN CG . 18351 1 624 . 1 1 58 58 GLN N N 15 119.935 0.06 . 1 . . 34 . . 58 GLN N . 18351 1 625 . 1 1 58 58 GLN NE2 N 15 105.168 0.076 . 1 . . 520 . . 58 GLN NE2 . 18351 1 626 . 1 1 59 59 ARG H H 1 8.855 0.002 . 1 . . 181 . . 59 ARG H . 18351 1 627 . 1 1 59 59 ARG HA H 1 4.639 0.002 . 1 . . 496 . . 59 ARG HA . 18351 1 628 . 1 1 59 59 ARG HB2 H 1 1.741 0.003 . 1 . . 715 . . 59 ARG HB2 . 18351 1 629 . 1 1 59 59 ARG HB3 H 1 1.522 0.005 . 1 . . 716 . . 59 ARG HB3 . 18351 1 630 . 1 1 59 59 ARG HG2 H 1 1.521 0.003 . 1 . . 731 . . 59 ARG HG2 . 18351 1 631 . 1 1 59 59 ARG HG3 H 1 1.188 0.005 . 1 . . 730 . . 59 ARG HG3 . 18351 1 632 . 1 1 59 59 ARG HD2 H 1 2.901 0.002 . 1 . . 596 . . 59 ARG HD2 . 18351 1 633 . 1 1 59 59 ARG HD3 H 1 2.900 0.002 . 1 . . 764 . . 59 ARG HD3 . 18351 1 634 . 1 1 59 59 ARG C C 13 174.380 0.020174 . 1 . . 277 . . 59 ARG C . 18351 1 635 . 1 1 59 59 ARG CA C 13 54.411 0.054 . 1 . . 453 . . 59 ARG CA . 18351 1 636 . 1 1 59 59 ARG CB C 13 33.320 0.018 . 1 . . 454 . . 59 ARG CB . 18351 1 637 . 1 1 59 59 ARG CG C 13 25.527 0.043 . 1 . . 597 . . 59 ARG CG . 18351 1 638 . 1 1 59 59 ARG CD C 13 44.583 0.019 . 1 . . 595 . . 59 ARG CD . 18351 1 639 . 1 1 59 59 ARG N N 15 117.593 0.058 . 1 . . 182 . . 59 ARG N . 18351 1 640 . 1 1 60 60 ALA H H 1 8.310 0.034 . 1 . . 789 . . 60 ALA H . 18351 1 641 . 1 1 60 60 ALA HA H 1 4.282 0.002 . 1 . . 455 . . 60 ALA HA . 18351 1 642 . 1 1 60 60 ALA HB1 H 1 -0.345 0.003 . 1 . . 467 . . 60 ALA HB1 . 18351 1 643 . 1 1 60 60 ALA HB2 H 1 -0.345 0.003 . 1 . . 467 . . 60 ALA HB2 . 18351 1 644 . 1 1 60 60 ALA HB3 H 1 -0.345 0.003 . 1 . . 467 . . 60 ALA HB3 . 18351 1 645 . 1 1 60 60 ALA C C 13 176.590 0.012 . 1 . . 260 . . 60 ALA C . 18351 1 646 . 1 1 60 60 ALA CA C 13 52.662 0.029 . 1 . . 451 . . 60 ALA CA . 18351 1 647 . 1 1 60 60 ALA N N 15 126.235 0.025 . 1 . . 790 . . 60 ALA N . 18351 1 648 . 1 1 61 61 ARG H H 1 8.792 0.006 . 1 . . 465 . . 61 ARG H . 18351 1 649 . 1 1 61 61 ARG HA H 1 4.577 0.004 . 1 . . 515 . . 61 ARG HA . 18351 1 650 . 1 1 61 61 ARG HB2 H 1 1.615 0.004 . 1 . . 768 . . 61 ARG HB2 . 18351 1 651 . 1 1 61 61 ARG HB3 H 1 1.422 0.0 . 1 . . 756 . . 61 ARG HB3 . 18351 1 652 . 1 1 61 61 ARG HG2 H 1 1.398 0.001 . 1 . . 769 . . 61 ARG HG2 . 18351 1 653 . 1 1 61 61 ARG HG3 H 1 1.401 0.005 . 1 . . 755 . . 61 ARG HG3 . 18351 1 654 . 1 1 61 61 ARG HD2 H 1 2.856 0.005 . 1 . . 765 . . 61 ARG HD2 . 18351 1 655 . 1 1 61 61 ARG HD3 H 1 2.538 0.004 . 1 . . 767 . . 61 ARG HD3 . 18351 1 656 . 1 1 61 61 ARG C C 13 174.707 0.012 . 1 . . 308 . . 61 ARG C . 18351 1 657 . 1 1 61 61 ARG CA C 13 53.327 0.066 . 1 . . 228 . . 61 ARG CA . 18351 1 658 . 1 1 61 61 ARG CB C 13 36.089 0.0213 . 1 . . 227 . . 61 ARG CB . 18351 1 659 . 1 1 61 61 ARG CD C 13 41.631 0.065 . 1 . . 766 . . 61 ARG CD . 18351 1 660 . 1 1 61 61 ARG N N 15 120.358 0.082 . 1 . . 466 . . 61 ARG N . 18351 1 661 . 1 1 62 62 CYS H H 1 8.536 0.003 . 1 . . 19 . . 62 CYS H . 18351 1 662 . 1 1 62 62 CYS HA H 1 5.341 0.004 . 1 . . 448 . . 62 CYS HA . 18351 1 663 . 1 1 62 62 CYS HB2 H 1 3.439 0.004 . 1 . . 449 . . 62 CYS HB2 . 18351 1 664 . 1 1 62 62 CYS HB3 H 1 2.383 0.006 . 1 . . 450 . . 62 CYS HB3 . 18351 1 665 . 1 1 62 62 CYS C C 13 175.378 0.004 . 1 . . 303 . . 62 CYS C . 18351 1 666 . 1 1 62 62 CYS CA C 13 53.434 0.027 . 1 . . 231 . . 62 CYS CA . 18351 1 667 . 1 1 62 62 CYS CB C 13 40.889 0.06 . 1 . . 226 . . 62 CYS CB . 18351 1 668 . 1 1 62 62 CYS N N 15 118.872 0.059 . 1 . . 20 . . 62 CYS N . 18351 1 669 . 1 1 63 63 CYS H H 1 9.296 0.003 . 1 . . 229 . . 63 CYS H . 18351 1 670 . 1 1 63 63 CYS HA H 1 5.658 0.007 . 1 . . 367 . . 63 CYS HA . 18351 1 671 . 1 1 63 63 CYS HB2 H 1 2.398 0.005 . 1 . . 365 . . 63 CYS HB2 . 18351 1 672 . 1 1 63 63 CYS HB3 H 1 2.971 0.005 . 1 . . 366 . . 63 CYS HB3 . 18351 1 673 . 1 1 63 63 CYS C C 13 173.530 0.083 . 1 . . 270 . . 63 CYS C . 18351 1 674 . 1 1 63 63 CYS CA C 13 56.326 0.08 . 1 . . 169 . . 63 CYS CA . 18351 1 675 . 1 1 63 63 CYS CB C 13 48.187 0.063 . 1 . . 168 . . 63 CYS CB . 18351 1 676 . 1 1 63 63 CYS N N 15 122.195 0.077 . 1 . . 230 . . 63 CYS N . 18351 1 677 . 1 1 64 64 VAL H H 1 8.571 0.003 . 1 . . 164 . . 64 VAL H . 18351 1 678 . 1 1 64 64 VAL HA H 1 4.117 0.004 . 1 . . 344 . . 64 VAL HA . 18351 1 679 . 1 1 64 64 VAL HB H 1 1.864 0.004 . 1 . . 345 . . 64 VAL HB . 18351 1 680 . 1 1 64 64 VAL HG11 H 1 0.302 0.003 . 1 . . 561 . . 64 VAL HG11 . 18351 1 681 . 1 1 64 64 VAL HG12 H 1 0.302 0.003 . 1 . . 561 . . 64 VAL HG12 . 18351 1 682 . 1 1 64 64 VAL HG13 H 1 0.302 0.003 . 1 . . 561 . . 64 VAL HG13 . 18351 1 683 . 1 1 64 64 VAL HG21 H 1 0.606 0.003 . 1 . . 562 . . 64 VAL HG21 . 18351 1 684 . 1 1 64 64 VAL HG22 H 1 0.606 0.003 . 1 . . 562 . . 64 VAL HG22 . 18351 1 685 . 1 1 64 64 VAL HG23 H 1 0.606 0.003 . 1 . . 562 . . 64 VAL HG23 . 18351 1 686 . 1 1 64 64 VAL C C 13 176.051 0.047 . 1 . . 258 . . 64 VAL C . 18351 1 687 . 1 1 64 64 VAL CA C 13 61.829 0.01 . 1 . . 166 . . 64 VAL CA . 18351 1 688 . 1 1 64 64 VAL CB C 13 32.260 0.011 . 1 . . 167 . . 64 VAL CB . 18351 1 689 . 1 1 64 64 VAL CG1 C 13 20.460 0.019 . 1 . . 343 . . 64 VAL CG1 . 18351 1 690 . 1 1 64 64 VAL CG2 C 13 20.991 0.013 . 1 . . 667 . . 64 VAL CG2 . 18351 1 691 . 1 1 64 64 VAL N N 15 121.732 0.078 . 1 . . 165 . . 64 VAL N . 18351 1 692 . 1 1 65 65 LEU H H 1 8.020 0.003 . 1 . . 9 . . 65 LEU H . 18351 1 693 . 1 1 65 65 LEU HA H 1 4.195 0.0 . 1 . . 497 . . 65 LEU HA . 18351 1 694 . 1 1 65 65 LEU HB2 H 1 1.444 0.005 . 1 . . 621 . . 65 LEU HB2 . 18351 1 695 . 1 1 65 65 LEU HB3 H 1 1.374 0.001 . 1 . . 616 . . 65 LEU HB3 . 18351 1 696 . 1 1 65 65 LEU HG H 1 1.434 0.001 . 1 . . 617 . . 65 LEU HG . 18351 1 697 . 1 1 65 65 LEU HD11 H 1 0.679 0.001 . 1 . . 619 . . 65 LEU HD11 . 18351 1 698 . 1 1 65 65 LEU HD12 H 1 0.679 0.001 . 1 . . 619 . . 65 LEU HD12 . 18351 1 699 . 1 1 65 65 LEU HD13 H 1 0.679 0.001 . 1 . . 619 . . 65 LEU HD13 . 18351 1 700 . 1 1 65 65 LEU HD21 H 1 0.775 0.002 . 1 . . 618 . . 65 LEU HD21 . 18351 1 701 . 1 1 65 65 LEU HD22 H 1 0.775 0.002 . 1 . . 618 . . 65 LEU HD22 . 18351 1 702 . 1 1 65 65 LEU HD23 H 1 0.775 0.002 . 1 . . 618 . . 65 LEU HD23 . 18351 1 703 . 1 1 65 65 LEU C C 13 175.887 0.020174 . 1 . . 259 . . 65 LEU C . 18351 1 704 . 1 1 65 65 LEU CA C 13 53.788 0.0 . 1 . . 225 . . 65 LEU CA . 18351 1 705 . 1 1 65 65 LEU CB C 13 41.515 0.0213 . 1 . . 224 . . 65 LEU CB . 18351 1 706 . 1 1 65 65 LEU CG C 13 26.989 0.0 . 1 . . 573 . . 65 LEU CG . 18351 1 707 . 1 1 65 65 LEU CD1 C 13 24.378 0.0 . 1 . . 620 . . 65 LEU CD1 . 18351 1 708 . 1 1 65 65 LEU CD2 C 13 24.888 0.001 . 1 . . 574 . . 65 LEU CD2 . 18351 1 709 . 1 1 65 65 LEU N N 15 127.175 0.054 . 1 . . 10 . . 65 LEU N . 18351 1 710 . 1 1 66 66 PRO HA H 1 4.194 0.001 . 1 . . 361 . . 66 PRO HA . 18351 1 711 . 1 1 66 66 PRO HB2 H 1 1.966 0.002 . 1 . . 360 . . 66 PRO HB2 . 18351 1 712 . 1 1 66 66 PRO HB3 H 1 1.727 0.001 . 1 . . 359 . . 66 PRO HB3 . 18351 1 713 . 1 1 66 66 PRO HG2 H 1 1.840 0.003 . 1 . . 754 . . 66 PRO HG2 . 18351 1 714 . 1 1 66 66 PRO HG3 H 1 1.685 0.001 . 1 . . 773 . . 66 PRO HG3 . 18351 1 715 . 1 1 66 66 PRO HD2 H 1 3.699 0.003 . 1 . . 770 . . 66 PRO HD2 . 18351 1 716 . 1 1 66 66 PRO HD3 H 1 3.499 0.002 . 1 . . 772 . . 66 PRO HD3 . 18351 1 717 . 1 1 66 66 PRO C C 13 176.853 0.024 . 1 . . 261 . . 66 PRO C . 18351 1 718 . 1 1 66 66 PRO CA C 13 63.293 0.003 . 1 . . 222 . . 66 PRO CA . 18351 1 719 . 1 1 66 66 PRO CB C 13 32.526 0.017 . 1 . . 219 . . 66 PRO CB . 18351 1 720 . 1 1 66 66 PRO CG C 13 27.115 0.0 . 1 . . 358 . . 66 PRO CG . 18351 1 721 . 1 1 66 66 PRO CD C 13 51.503 0.015 . 1 . . 771 . . 66 PRO CD . 18351 1 722 . 1 1 67 67 ILE H H 1 8.096 0.004 . 1 . . 3 . . 67 ILE H . 18351 1 723 . 1 1 67 67 ILE HA H 1 4.052 0.004 . 1 . . 499 . . 67 ILE HA . 18351 1 724 . 1 1 67 67 ILE HB H 1 1.492 0.002 . 1 . . 501 . . 67 ILE HB . 18351 1 725 . 1 1 67 67 ILE HG12 H 1 1.275 0.004 . 1 . . 548 . . 67 ILE HG12 . 18351 1 726 . 1 1 67 67 ILE HG13 H 1 0.923 0.004 . 1 . . 549 . . 67 ILE HG13 . 18351 1 727 . 1 1 67 67 ILE HG21 H 1 0.727 0.004 . 1 . . 550 . . 67 ILE HG21 . 18351 1 728 . 1 1 67 67 ILE HG22 H 1 0.727 0.004 . 1 . . 550 . . 67 ILE HG22 . 18351 1 729 . 1 1 67 67 ILE HG23 H 1 0.727 0.004 . 1 . . 550 . . 67 ILE HG23 . 18351 1 730 . 1 1 67 67 ILE HD11 H 1 0.671 0.003 . 1 . . 544 . . 67 ILE HD11 . 18351 1 731 . 1 1 67 67 ILE HD12 H 1 0.671 0.003 . 1 . . 544 . . 67 ILE HD12 . 18351 1 732 . 1 1 67 67 ILE HD13 H 1 0.671 0.003 . 1 . . 544 . . 67 ILE HD13 . 18351 1 733 . 1 1 67 67 ILE C C 13 175.917 0.014 . 1 . . 498 . . 67 ILE C . 18351 1 734 . 1 1 67 67 ILE CA C 13 60.128 0.012 . 1 . . 221 . . 67 ILE CA . 18351 1 735 . 1 1 67 67 ILE CB C 13 40.542 0.02 . 1 . . 220 . . 67 ILE CB . 18351 1 736 . 1 1 67 67 ILE CG1 C 13 27.044 0.023 . 1 . . 534 . . 67 ILE CG1 . 18351 1 737 . 1 1 67 67 ILE CG2 C 13 17.353 0.021 . 1 . . 533 . . 67 ILE CG2 . 18351 1 738 . 1 1 67 67 ILE CD1 C 13 13.145 0.059 . 1 . . 535 . . 67 ILE CD1 . 18351 1 739 . 1 1 67 67 ILE N N 15 122.787 0.091 . 1 . . 4 . . 67 ILE N . 18351 1 740 . 1 1 68 68 LEU H H 1 8.326 0.003 . 1 . . 78 . . 68 LEU H . 18351 1 741 . 1 1 68 68 LEU HA H 1 3.978 0.003 . 1 . . 500 . . 68 LEU HA . 18351 1 742 . 1 1 68 68 LEU HB2 H 1 1.490 0.001 . 1 . . 504 . . 68 LEU HB2 . 18351 1 743 . 1 1 68 68 LEU HB3 H 1 1.427 0.0 . 1 . . 732 . . 68 LEU HB3 . 18351 1 744 . 1 1 68 68 LEU HG H 1 1.476 0.004 . 1 . . 624 . . 68 LEU HG . 18351 1 745 . 1 1 68 68 LEU HD11 H 1 0.758 0.0 . 1 . . 623 . . 68 LEU HD11 . 18351 1 746 . 1 1 68 68 LEU HD12 H 1 0.758 0.0 . 1 . . 623 . . 68 LEU HD12 . 18351 1 747 . 1 1 68 68 LEU HD13 H 1 0.758 0.0 . 1 . . 623 . . 68 LEU HD13 . 18351 1 748 . 1 1 68 68 LEU HD21 H 1 0.802 0.001 . 1 . . 622 . . 68 LEU HD21 . 18351 1 749 . 1 1 68 68 LEU HD22 H 1 0.802 0.001 . 1 . . 622 . . 68 LEU HD22 . 18351 1 750 . 1 1 68 68 LEU HD23 H 1 0.802 0.001 . 1 . . 622 . . 68 LEU HD23 . 18351 1 751 . 1 1 68 68 LEU C C 13 178.124 0.006 . 1 . . 279 . . 68 LEU C . 18351 1 752 . 1 1 68 68 LEU CA C 13 56.960 0.016 . 1 . . 121 . . 68 LEU CA . 18351 1 753 . 1 1 68 68 LEU CB C 13 41.520 0.015 . 1 . . 420 . . 68 LEU CB . 18351 1 754 . 1 1 68 68 LEU CG C 13 27.006 0.072 . 1 . . 503 . . 68 LEU CG . 18351 1 755 . 1 1 68 68 LEU CD1 C 13 24.457 0.0193 . 1 . . 502 . . 68 LEU CD1 . 18351 1 756 . 1 1 68 68 LEU CD2 C 13 24.507 0.017 . 1 . . 762 . . 68 LEU CD2 . 18351 1 757 . 1 1 68 68 LEU N N 15 126.490 0.077 . 1 . . 79 . . 68 LEU N . 18351 1 758 . 1 1 69 69 GLY H H 1 8.816 0.004 . 1 . . 47 . . 69 GLY H . 18351 1 759 . 1 1 69 69 GLY HA2 H 1 4.074 0.001 . 1 . . 505 . . 69 GLY HA2 . 18351 1 760 . 1 1 69 69 GLY HA3 H 1 3.556 0.001 . 1 . . 386 . . 69 GLY HA3 . 18351 1 761 . 1 1 69 69 GLY C C 13 174.038 0.036 . 1 . . 250 . . 69 GLY C . 18351 1 762 . 1 1 69 69 GLY CA C 13 45.221 0.0234 . 1 . . 120 . . 69 GLY CA . 18351 1 763 . 1 1 69 69 GLY N N 15 113.021 0.082 . 1 . . 48 . . 69 GLY N . 18351 1 764 . 1 1 70 70 GLN H H 1 7.932 0.002 . 1 . . 13 . . 70 GLN H . 18351 1 765 . 1 1 70 70 GLN HA H 1 4.449 0.004 . 1 . . 506 . . 70 GLN HA . 18351 1 766 . 1 1 70 70 GLN HB2 H 1 2.043 0.005 . 1 . . 662 . . 70 GLN HB2 . 18351 1 767 . 1 1 70 70 GLN HB3 H 1 1.839 0.003 . 1 . . 507 . . 70 GLN HB3 . 18351 1 768 . 1 1 70 70 GLN HG2 H 1 2.154 0.004 . 1 . . 664 . . 70 GLN HG2 . 18351 1 769 . 1 1 70 70 GLN HG3 H 1 2.153 0.004 . 1 . . 663 . . 70 GLN HG3 . 18351 1 770 . 1 1 70 70 GLN HE21 H 1 7.568 0.0 . 1 . . 591 . . 70 GLN HE21 . 18351 1 771 . 1 1 70 70 GLN HE22 H 1 6.786 0.001 . 1 . . 593 . . 70 GLN HE22 . 18351 1 772 . 1 1 70 70 GLN C C 13 175.510 0.0 . 1 . . 249 . . 70 GLN C . 18351 1 773 . 1 1 70 70 GLN CA C 13 54.235 0.005 . 1 . . 211 . . 70 GLN CA . 18351 1 774 . 1 1 70 70 GLN CB C 13 30.773 0.009 . 1 . . 212 . . 70 GLN CB . 18351 1 775 . 1 1 70 70 GLN CG C 13 33.893 0.021 . 1 . . 661 . . 70 GLN CG . 18351 1 776 . 1 1 70 70 GLN N N 15 119.303 0.062 . 1 . . 14 . . 70 GLN N . 18351 1 777 . 1 1 70 70 GLN NE2 N 15 113.138 0.025 . 1 . . 592 . . 70 GLN NE2 . 18351 1 778 . 1 1 71 71 ASP H H 1 8.440 0.004 . 1 . . 27 . . 71 ASP H . 18351 1 779 . 1 1 71 71 ASP HA H 1 4.457 0.001 . 1 . . 322 . . 71 ASP HA . 18351 1 780 . 1 1 71 71 ASP HB2 H 1 2.609 0.002 . 1 . . 323 . . 71 ASP HB2 . 18351 1 781 . 1 1 71 71 ASP HB3 H 1 2.367 0.005 . 1 . . 324 . . 71 ASP HB3 . 18351 1 782 . 1 1 71 71 ASP C C 13 176.149 0.024 . 1 . . 267 . . 71 ASP C . 18351 1 783 . 1 1 71 71 ASP CA C 13 54.481 0.001 . 1 . . 202 . . 71 ASP CA . 18351 1 784 . 1 1 71 71 ASP CB C 13 40.982 0.0 . 1 . . 201 . . 71 ASP CB . 18351 1 785 . 1 1 71 71 ASP N N 15 122.994 0.1 . 1 . . 28 . . 71 ASP N . 18351 1 786 . 1 1 72 72 ILE H H 1 8.464 0.002 . 1 . . 35 . . 72 ILE H . 18351 1 787 . 1 1 72 72 ILE HA H 1 4.045 0.002 . 1 . . 312 . . 72 ILE HA . 18351 1 788 . 1 1 72 72 ILE HB H 1 1.666 0.004 . 1 . . 313 . . 72 ILE HB . 18351 1 789 . 1 1 72 72 ILE HG12 H 1 1.556 0.004 . 1 . . 554 . . 72 ILE HG12 . 18351 1 790 . 1 1 72 72 ILE HG13 H 1 1.169 0.003 . 1 . . 555 . . 72 ILE HG13 . 18351 1 791 . 1 1 72 72 ILE HG21 H 1 0.848 0.003 . 1 . . 556 . . 72 ILE HG21 . 18351 1 792 . 1 1 72 72 ILE HG22 H 1 0.848 0.003 . 1 . . 556 . . 72 ILE HG22 . 18351 1 793 . 1 1 72 72 ILE HG23 H 1 0.848 0.003 . 1 . . 556 . . 72 ILE HG23 . 18351 1 794 . 1 1 72 72 ILE HD11 H 1 0.746 0.001 . 1 . . 557 . . 72 ILE HD11 . 18351 1 795 . 1 1 72 72 ILE HD12 H 1 0.746 0.001 . 1 . . 557 . . 72 ILE HD12 . 18351 1 796 . 1 1 72 72 ILE HD13 H 1 0.746 0.001 . 1 . . 557 . . 72 ILE HD13 . 18351 1 797 . 1 1 72 72 ILE C C 13 174.143 0.023 . 1 . . 245 . . 72 ILE C . 18351 1 798 . 1 1 72 72 ILE CA C 13 61.703 0.053 . 1 . . 199 . . 72 ILE CA . 18351 1 799 . 1 1 72 72 ILE CB C 13 39.691 0.018 . 1 . . 200 . . 72 ILE CB . 18351 1 800 . 1 1 72 72 ILE CG1 C 13 29.541 0.018 . 1 . . 341 . . 72 ILE CG1 . 18351 1 801 . 1 1 72 72 ILE CG2 C 13 17.879 0.024 . 1 . . 340 . . 72 ILE CG2 . 18351 1 802 . 1 1 72 72 ILE CD1 C 13 14.178 0.001 . 1 . . 542 . . 72 ILE CD1 . 18351 1 803 . 1 1 72 72 ILE N N 15 124.268 0.07 . 1 . . 36 . . 72 ILE N . 18351 1 804 . 1 1 73 73 LEU H H 1 7.761 0.003 . 1 . . 62 . . 73 LEU H . 18351 1 805 . 1 1 73 73 LEU HA H 1 4.761 0.006 . 1 . . 508 . . 73 LEU HA . 18351 1 806 . 1 1 73 73 LEU HB2 H 1 1.543 0.004 . 1 . . 385 . . 73 LEU HB2 . 18351 1 807 . 1 1 73 73 LEU HB3 H 1 1.543 0.003 . 1 . . 626 . . 73 LEU HB3 . 18351 1 808 . 1 1 73 73 LEU HG H 1 1.546 0.005 . 1 . . 625 . . 73 LEU HG . 18351 1 809 . 1 1 73 73 LEU HD11 H 1 0.796 0.005 . 1 . . 578 . . 73 LEU HD11 . 18351 1 810 . 1 1 73 73 LEU HD12 H 1 0.796 0.005 . 1 . . 578 . . 73 LEU HD12 . 18351 1 811 . 1 1 73 73 LEU HD13 H 1 0.796 0.005 . 1 . . 578 . . 73 LEU HD13 . 18351 1 812 . 1 1 73 73 LEU HD21 H 1 0.800 0.006 . 1 . . 579 . . 73 LEU HD21 . 18351 1 813 . 1 1 73 73 LEU HD22 H 1 0.800 0.006 . 1 . . 579 . . 73 LEU HD22 . 18351 1 814 . 1 1 73 73 LEU HD23 H 1 0.800 0.006 . 1 . . 579 . . 73 LEU HD23 . 18351 1 815 . 1 1 73 73 LEU C C 13 175.850 0.011 . 1 . . 246 . . 73 LEU C . 18351 1 816 . 1 1 73 73 LEU CA C 13 54.257 0.063 . 1 . . 125 . . 73 LEU CA . 18351 1 817 . 1 1 73 73 LEU CB C 13 44.317 0.022 . 1 . . 126 . . 73 LEU CB . 18351 1 818 . 1 1 73 73 LEU CG C 13 26.818 0.04 . 1 . . 575 . . 73 LEU CG . 18351 1 819 . 1 1 73 73 LEU CD1 C 13 24.032 0.002 . 1 . . 577 . . 73 LEU CD1 . 18351 1 820 . 1 1 73 73 LEU CD2 C 13 25.230 0.03 . 1 . . 576 . . 73 LEU CD2 . 18351 1 821 . 1 1 73 73 LEU N N 15 129.093 0.069 . 1 . . 63 . . 73 LEU N . 18351 1 822 . 1 1 74 74 CYS H H 1 8.483 0.002 . 1 . . 74 . . 74 CYS H . 18351 1 823 . 1 1 74 74 CYS HA H 1 5.665 0.006 . 1 . . 399 . . 74 CYS HA . 18351 1 824 . 1 1 74 74 CYS HB2 H 1 3.361 0.009 . 1 . . 400 . . 74 CYS HB2 . 18351 1 825 . 1 1 74 74 CYS HB3 H 1 2.693 0.008 . 1 . . 401 . . 74 CYS HB3 . 18351 1 826 . 1 1 74 74 CYS C C 13 172.440 0.068 . 1 . . 293 . . 74 CYS C . 18351 1 827 . 1 1 74 74 CYS CA C 13 55.962 0.033 . 1 . . 128 . . 74 CYS CA . 18351 1 828 . 1 1 74 74 CYS CB C 13 50.510 0.044 . 1 . . 127 . . 74 CYS CB . 18351 1 829 . 1 1 74 74 CYS N N 15 119.585 0.066 . 1 . . 75 . . 74 CYS N . 18351 1 830 . 1 1 75 75 GLN H H 1 9.112 0.003 . 1 . . 93 . . 75 GLN H . 18351 1 831 . 1 1 75 75 GLN HA H 1 4.462 0.004 . 1 . . 378 . . 75 GLN HA . 18351 1 832 . 1 1 75 75 GLN HB2 H 1 1.526 0.004 . 1 . . 377 . . 75 GLN HB2 . 18351 1 833 . 1 1 75 75 GLN HB3 H 1 1.526 0.003 . 1 . . 733 . . 75 GLN HB3 . 18351 1 834 . 1 1 75 75 GLN HG3 H 1 1.682 0.003 . 1 . . 672 . . 75 GLN HG3 . 18351 1 835 . 1 1 75 75 GLN HE21 H 1 6.711 0.002 . 1 . . 678 . . 75 GLN HE21 . 18351 1 836 . 1 1 75 75 GLN HE22 H 1 6.356 0.002 . 1 . . 680 . . 75 GLN HE22 . 18351 1 837 . 1 1 75 75 GLN C C 13 174.389 0.012 . 1 . . 292 . . 75 GLN C . 18351 1 838 . 1 1 75 75 GLN CA C 13 53.856 0.096 . 1 . . 122 . . 75 GLN CA . 18351 1 839 . 1 1 75 75 GLN CB C 13 31.997 0.055 . 1 . . 509 . . 75 GLN CB . 18351 1 840 . 1 1 75 75 GLN N N 15 117.513 0.09 . 1 . . 94 . . 75 GLN N . 18351 1 841 . 1 1 75 75 GLN NE2 N 15 110.144 0.052 . 1 . . 679 . . 75 GLN NE2 . 18351 1 842 . 1 1 76 76 THR H H 1 8.384 0.003 . 1 . . 102 . . 76 THR H . 18351 1 843 . 1 1 76 76 THR HA H 1 4.239 0.004 . 1 . . 511 . . 76 THR HA . 18351 1 844 . 1 1 76 76 THR HB H 1 3.708 0.001 . 1 . . 582 . . 76 THR HB . 18351 1 845 . 1 1 76 76 THR HG21 H 1 1.227 0.003 . 1 . . 735 . . 76 THR HG21 . 18351 1 846 . 1 1 76 76 THR HG22 H 1 1.227 0.003 . 1 . . 735 . . 76 THR HG22 . 18351 1 847 . 1 1 76 76 THR HG23 H 1 1.227 0.003 . 1 . . 735 . . 76 THR HG23 . 18351 1 848 . 1 1 76 76 THR C C 13 173.130 0.020174 . 1 . . 510 . . 76 THR C . 18351 1 849 . 1 1 76 76 THR CA C 13 62.125 0.021 . 1 . . 124 . . 76 THR CA . 18351 1 850 . 1 1 76 76 THR CB C 13 70.192 0.0 . 1 . . 123 . . 76 THR CB . 18351 1 851 . 1 1 76 76 THR CG2 C 13 21.994 0.033 . 1 . . 736 . . 76 THR CG2 . 18351 1 852 . 1 1 76 76 THR N N 15 120.701 0.069 . 1 . . 103 . . 76 THR N . 18351 1 853 . 1 1 77 77 PRO HA H 1 4.321 0.002 . 1 . . 712 . . 77 PRO HA . 18351 1 854 . 1 1 77 77 PRO HB2 H 1 2.425 0.003 . 1 . . 713 . . 77 PRO HB2 . 18351 1 855 . 1 1 77 77 PRO HB3 H 1 1.649 0.002 . 1 . . 714 . . 77 PRO HB3 . 18351 1 856 . 1 1 77 77 PRO HG2 H 1 1.756 0.004 . 1 . . 784 . . 77 PRO HG2 . 18351 1 857 . 1 1 77 77 PRO HG3 H 1 1.289 0.003 . 1 . . 783 . . 77 PRO HG3 . 18351 1 858 . 1 1 77 77 PRO HD2 H 1 4.095 0.004 . 1 . . 786 . . 77 PRO HD2 . 18351 1 859 . 1 1 77 77 PRO HD3 H 1 3.251 0.004 . 1 . . 757 . . 77 PRO HD3 . 18351 1 860 . 1 1 77 77 PRO C C 13 175.701 0.029 . 1 . . 708 . . 77 PRO C . 18351 1 861 . 1 1 77 77 PRO CA C 13 62.693 0.005 . 1 . . 705 . . 77 PRO CA . 18351 1 862 . 1 1 77 77 PRO CB C 13 32.359 0.003 . 1 . . 706 . . 77 PRO CB . 18351 1 863 . 1 1 77 77 PRO CG C 13 29.001 0.0 . 1 . . 707 . . 77 PRO CG . 18351 1 864 . 1 1 77 77 PRO CD C 13 52.491 0.042 . 1 . . 785 . . 77 PRO CD . 18351 1 865 . 1 1 78 78 ALA H H 1 9.035 0.003 . 1 . . 681 . . 78 ALA H . 18351 1 866 . 1 1 78 78 ALA HA H 1 4.086 0.002 . 1 . . 689 . . 78 ALA HA . 18351 1 867 . 1 1 78 78 ALA HB1 H 1 1.320 0.002 . 1 . . 422 . . 78 ALA HB1 . 18351 1 868 . 1 1 78 78 ALA HB2 H 1 1.320 0.002 . 1 . . 422 . . 78 ALA HB2 . 18351 1 869 . 1 1 78 78 ALA HB3 H 1 1.320 0.002 . 1 . . 422 . . 78 ALA HB3 . 18351 1 870 . 1 1 78 78 ALA C C 13 178.904 0.015 . 1 . . 682 . . 78 ALA C . 18351 1 871 . 1 1 78 78 ALA CA C 13 53.906 0.0234 . 1 . . 421 . . 78 ALA CA . 18351 1 872 . 1 1 78 78 ALA CB C 13 18.505 0.01 . 1 . . 683 . . 78 ALA CB . 18351 1 873 . 1 1 78 78 ALA N N 15 125.693 0.067 . 1 . . 108 . . 78 ALA N . 18351 1 874 . 1 1 79 79 GLY H H 1 8.628 0.004 . 1 . . 685 . . 79 GLY H . 18351 1 875 . 1 1 79 79 GLY HA2 H 1 4.078 0.006 . 1 . . 684 . . 79 GLY HA2 . 18351 1 876 . 1 1 79 79 GLY HA3 H 1 3.548 0.002 . 1 . . 690 . . 79 GLY HA3 . 18351 1 877 . 1 1 79 79 GLY C C 13 173.270 0.051 . 1 . . 687 . . 79 GLY C . 18351 1 878 . 1 1 79 79 GLY CA C 13 45.126 0.0 . 1 . . 688 . . 79 GLY CA . 18351 1 879 . 1 1 79 79 GLY N N 15 110.649 0.067 . 1 . . 686 . . 79 GLY N . 18351 1 880 . 1 1 80 80 LEU H H 1 7.430 0.002 . 1 . . 691 . . 80 LEU H . 18351 1 881 . 1 1 80 80 LEU HA H 1 4.252 0.003 . 1 . . 696 . . 80 LEU HA . 18351 1 882 . 1 1 80 80 LEU HB2 H 1 1.437 0.002 . 1 . . 701 . . 80 LEU HB2 . 18351 1 883 . 1 1 80 80 LEU HB3 H 1 1.438 0.004 . 1 . . 700 . . 80 LEU HB3 . 18351 1 884 . 1 1 80 80 LEU HG H 1 1.236 0.001 . 1 . . 702 . . 80 LEU HG . 18351 1 885 . 1 1 80 80 LEU HD11 H 1 0.611 0.003 . 1 . . 703 . . 80 LEU HD11 . 18351 1 886 . 1 1 80 80 LEU HD12 H 1 0.611 0.003 . 1 . . 703 . . 80 LEU HD12 . 18351 1 887 . 1 1 80 80 LEU HD13 H 1 0.611 0.003 . 1 . . 703 . . 80 LEU HD13 . 18351 1 888 . 1 1 80 80 LEU HD21 H 1 0.666 0.001 . 1 . . 704 . . 80 LEU HD21 . 18351 1 889 . 1 1 80 80 LEU HD22 H 1 0.666 0.001 . 1 . . 704 . . 80 LEU HD22 . 18351 1 890 . 1 1 80 80 LEU HD23 H 1 0.666 0.001 . 1 . . 704 . . 80 LEU HD23 . 18351 1 891 . 1 1 80 80 LEU C C 13 181.482 0.020174 . 1 . . 695 . . 80 LEU C . 18351 1 892 . 1 1 80 80 LEU CA C 13 55.449 0.001 . 1 . . 694 . . 80 LEU CA . 18351 1 893 . 1 1 80 80 LEU CB C 13 43.562 0.039 . 1 . . 693 . . 80 LEU CB . 18351 1 894 . 1 1 80 80 LEU CG C 13 27.622 0.0 . 1 . . 697 . . 80 LEU CG . 18351 1 895 . 1 1 80 80 LEU CD1 C 13 25.430 0.001 . 1 . . 698 . . 80 LEU CD1 . 18351 1 896 . 1 1 80 80 LEU CD2 C 13 22.485 0.012 . 1 . . 699 . . 80 LEU CD2 . 18351 1 897 . 1 1 80 80 LEU N N 15 126.618 0.058 . 1 . . 692 . . 80 LEU N . 18351 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 18351 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 28 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _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 'T2:1 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 2 'T2:2 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 3 'T2:3 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 4 'T2:4 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 5 'T2:5 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 6 'T2:6 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 7 'T2:7 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 8 'T2:8 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 9 'T2:9 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 10 'T2:10 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 11 'T2:11 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 12 'T2:12 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 13 'T2:13 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 14 'T2:14 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 15 'T2:15 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2 16 'T1:1 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 17 'T1:2 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 18 'T1:3 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 19 'T1:4 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 20 'T1:5 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 21 'T1:6 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 22 'T1:7 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 23 'T1:8 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 24 'T1:9 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 25 'T1:10 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 26 'T1:11 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 27 'T1:12 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2 28 'htNOE 1 (H[n[Trho(N)]])' 1 $13C15N_03 isotropic 18351 2 29 'htNOE 2 (H[n[Trho(N)]])' 1 $13C15N_03 isotropic 18351 2 30 '3D 1H-13C NOESY' 2 $13C15N_02 isotropic 18351 2 32 '3D 1H-15N NOESY' 3 $15N isotropic 18351 2 33 '2D 1H-1H NOESY' 4 $unlabeled isotropic 18351 2 34 '3D HNCO' 5 $13C15N_01 isotropic 18351 2 35 'HNcaCO (H[N[ca[CO]]])' 5 $13C15N_01 isotropic 18351 2 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 20 20 THR H H 1 8.259 0.008 . . . . . . . 20 THR HN . 18351 2 2 . 1 1 20 20 THR C C 13 177.693 0.000 . . . . . . . 20 THR C . 18351 2 3 . 1 1 20 20 THR N N 15 117.066 0.115 . . . . . . . 20 THR N . 18351 2 4 . 1 1 68 68 LEU H H 1 8.584 0.007 . . . . . . . 68 LEU HN . 18351 2 5 . 1 1 68 68 LEU HA H 1 4.381 0.008 . . . . . . . 68 LEU HA . 18351 2 6 . 1 1 68 68 LEU HB2 H 1 1.409 0.011 . . . . . . . 68 LEU HB2 . 18351 2 7 . 1 1 68 68 LEU HB3 H 1 1.510 0.000 . . . . . . . 68 LEU HB3 . 18351 2 8 . 1 1 68 68 LEU CA C 13 54.804 0.052 . . . . . . . 68 LEU CA . 18351 2 9 . 1 1 68 68 LEU CB C 13 42.264 0.078 . . . . . . . 68 LEU CB . 18351 2 10 . 1 1 68 68 LEU N N 15 128.794 0.126 . . . . . . . 68 LEU N . 18351 2 11 . 1 1 69 69 GLY H H 1 7.897 0.003 . . . . . . . 69 GLY HN . 18351 2 12 . 1 1 69 69 GLY HA2 H 1 3.704 0.007 . . . . . . . 69 GLY HA1 . 18351 2 13 . 1 1 69 69 GLY HA3 H 1 4.025 0.018 . . . . . . . 69 GLY HA2 . 18351 2 14 . 1 1 69 69 GLY C C 13 173.351 0.009 . . . . . . . 69 GLY C . 18351 2 15 . 1 1 69 69 GLY N N 15 111.241 0.039 . . . . . . . 69 GLY N . 18351 2 16 . 1 1 70 70 GLN H H 1 8.389 0.003 . . . . . . . 70 GLN HN . 18351 2 17 . 1 1 70 70 GLN HA H 1 4.076 0.001 . . . . . . . 70 GLN HA . 18351 2 18 . 1 1 70 70 GLN HB3 H 1 1.962 0.002 . . . . . . . 70 GLN HB3 . 18351 2 19 . 1 1 70 70 GLN CA C 13 56.985 0.027 . . . . . . . 70 GLN CA . 18351 2 20 . 1 1 70 70 GLN CB C 13 30.053 0.093 . . . . . . . 70 GLN CB . 18351 2 21 . 1 1 70 70 GLN N N 15 120.096 0.069 . . . . . . . 70 GLN N . 18351 2 22 . 1 1 71 71 ASP H H 1 7.687 0.002 . . . . . . . 71 ASP HN . 18351 2 23 . 1 1 71 71 ASP HA H 1 4.766 0.009 . . . . . . . 71 ASP HA . 18351 2 24 . 1 1 71 71 ASP HB3 H 1 2.635 0.004 . . . . . . . 71 ASP HB3 . 18351 2 25 . 1 1 71 71 ASP C C 13 174.295 0.000 . . . . . . . 71 ASP C . 18351 2 26 . 1 1 71 71 ASP CA C 13 53.066 0.030 . . . . . . . 71 ASP CA . 18351 2 27 . 1 1 71 71 ASP CB C 13 43.100 0.061 . . . . . . . 71 ASP CB . 18351 2 28 . 1 1 71 71 ASP N N 15 117.581 0.084 . . . . . . . 71 ASP N . 18351 2 29 . 1 1 72 72 ILE H H 1 8.359 0.004 . . . . . . . 72 ILE HN . 18351 2 30 . 1 1 72 72 ILE C C 13 178.321 0.000 . . . . . . . 72 ILE C . 18351 2 31 . 1 1 72 72 ILE CA C 13 61.045 0.000 . . . . . . . 72 ILE CA . 18351 2 32 . 1 1 72 72 ILE N N 15 123.813 0.062 . . . . . . . 72 ILE N . 18351 2 33 . 1 1 77 77 PRO HA H 1 4.247 0.000 . . . . . . . 77 PRO HA . 18351 2 34 . 1 1 77 77 PRO HB3 H 1 2.172 0.004 . . . . . . . 77 PRO HB3 . 18351 2 35 . 1 1 77 77 PRO C C 13 176.708 0.000 . . . . . . . 77 PRO C . 18351 2 36 . 1 1 77 77 PRO CA C 13 63.224 0.057 . . . . . . . 77 PRO CA . 18351 2 37 . 1 1 77 77 PRO CG C 13 27.509 0.000 . . . . . . . 77 PRO CG . 18351 2 38 . 1 1 78 78 ALA H H 1 8.354 0.003 . . . . . . . 78 ALA HN . 18351 2 39 . 1 1 78 78 ALA HA H 1 4.126 0.007 . . . . . . . 78 ALA HA . 18351 2 40 . 1 1 78 78 ALA HB1 H 1 1.246 0.005 . . . . . . . 78 ALA HB . 18351 2 41 . 1 1 78 78 ALA HB2 H 1 1.246 0.005 . . . . . . . 78 ALA HB . 18351 2 42 . 1 1 78 78 ALA HB3 H 1 1.246 0.005 . . . . . . . 78 ALA HB . 18351 2 43 . 1 1 78 78 ALA C C 13 178.355 0.026 . . . . . . . 78 ALA C . 18351 2 44 . 1 1 78 78 ALA CA C 13 52.652 0.051 . . . . . . . 78 ALA CA . 18351 2 45 . 1 1 78 78 ALA CB C 13 19.200 0.081 . . . . . . . 78 ALA CB . 18351 2 46 . 1 1 78 78 ALA N N 15 124.675 0.131 . . . . . . . 78 ALA N . 18351 2 47 . 1 1 79 79 GLY H H 1 8.285 0.004 . . . . . . . 79 GLY HN . 18351 2 48 . 1 1 79 79 GLY HA2 H 1 3.763 0.013 . . . . . . . 79 GLY HA2 . 18351 2 49 . 1 1 79 79 GLY N N 15 108.777 0.050 . . . . . . . 79 GLY N . 18351 2 50 . 1 1 80 80 LEU H H 1 7.662 0.005 . . . . . . . 80 LEU HN . 18351 2 51 . 1 1 80 80 LEU HA H 1 4.059 0.002 . . . . . . . 80 LEU HA . 18351 2 52 . 1 1 80 80 LEU C C 13 182.694 0.000 . . . . . . . 80 LEU C . 18351 2 53 . 1 1 80 80 LEU CA C 13 56.533 0.058 . . . . . . . 80 LEU CA . 18351 2 54 . 1 1 80 80 LEU N N 15 127.247 0.050 . . . . . . . 80 LEU N . 18351 2 stop_ save_