################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52693 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FL_KFL_Pyk2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52693 1 2 '3D HNCO' . . . 52693 1 3 '3D HN(CA)CO' . . . 52693 1 4 '3D HNCACB' . . . 52693 1 5 '3D HN(CO)CACB' . . . 52693 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52693 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.548 0.002 . 1 . . 145 . . 1 MET H . 52693 1 2 . 1 . 1 1 1 MET HA H 1 4.312 0.002 . 1 . . 694 . . 1 MET HA . 52693 1 3 . 1 . 1 1 1 MET C C 13 177.094 0.006 . 1 . . 346 . . 1 MET C . 52693 1 4 . 1 . 1 1 1 MET CA C 13 56.394 0.019 . 1 . . 449 . . 1 MET CA . 52693 1 5 . 1 . 1 1 1 MET CB C 13 30.853 0.067 . 1 . . 493 . . 1 MET CB . 52693 1 6 . 1 . 1 1 1 MET N N 15 122.179 0.006 . 1 . . 146 . . 1 MET N . 52693 1 7 . 1 . 1 2 2 GLY H H 1 8.562 0.002 . 1 . . 107 . . 2 GLY H . 52693 1 8 . 1 . 1 2 2 GLY HA2 H 1 3.975 . . 1 . . 693 . . 2 GLY HA2 . 52693 1 9 . 1 . 1 2 2 GLY C C 13 174.305 0.015 . 1 . . 434 . . 2 GLY C . 52693 1 10 . 1 . 1 2 2 GLY CA C 13 45.354 0.022 . 1 . . 487 . . 2 GLY CA . 52693 1 11 . 1 . 1 2 2 GLY N N 15 110.487 0.008 . 1 . . 108 . . 2 GLY N . 52693 1 12 . 1 . 1 3 3 SER H H 1 8.305 0.005 . 1 . . 35 . . 3 SER H . 52693 1 13 . 1 . 1 3 3 SER HA H 1 4.420 0.0 . 1 . . 692 . . 3 SER HA . 52693 1 14 . 1 . 1 3 3 SER C C 13 173.550 . . 1 . . 691 . . 3 SER C . 52693 1 15 . 1 . 1 3 3 SER CA C 13 58.647 0.019 . 1 . . 481 . . 3 SER CA . 52693 1 16 . 1 . 1 3 3 SER CB C 13 63.924 . . 1 . . 673 . . 3 SER CB . 52693 1 17 . 1 . 1 3 3 SER N N 15 115.777 0.009 . 1 . . 36 . . 3 SER N . 52693 1 18 . 1 . 1 12 12 SER H H 1 8.576 0.003 . 1 . . 569 . . 12 SER H . 52693 1 19 . 1 . 1 12 12 SER HA H 1 4.467 0.0 . 1 . . 700 . . 12 SER HA . 52693 1 20 . 1 . 1 12 12 SER C C 13 175.040 0.012 . 1 . . 507 . . 12 SER C . 52693 1 21 . 1 . 1 12 12 SER CA C 13 58.738 0.011 . 1 . . 506 . . 12 SER CA . 52693 1 22 . 1 . 1 12 12 SER CB C 13 63.890 0.036 . 1 . . 505 . . 12 SER CB . 52693 1 23 . 1 . 1 12 12 SER N N 15 118.381 0.002 . 1 . . 568 . . 12 SER N . 52693 1 24 . 1 . 1 13 13 GLY H H 1 8.454 0.002 . 1 . . 461 . . 13 GLY H . 52693 1 25 . 1 . 1 13 13 GLY HA2 H 1 3.991 . . 1 . . 699 . . 13 GLY HA2 . 52693 1 26 . 1 . 1 13 13 GLY C C 13 173.882 0.008 . 1 . . 509 . . 13 GLY C . 52693 1 27 . 1 . 1 13 13 GLY CA C 13 45.321 0.019 . 1 . . 508 . . 13 GLY CA . 52693 1 28 . 1 . 1 13 13 GLY N N 15 110.694 0.006 . 1 . . 462 . . 13 GLY N . 52693 1 29 . 1 . 1 14 14 LEU H H 1 8.102 0.015 . 1 . . 473 . . 14 LEU H . 52693 1 30 . 1 . 1 14 14 LEU C C 13 177.211 0.004 . 1 . . 527 . . 14 LEU C . 52693 1 31 . 1 . 1 14 14 LEU CA C 13 55.199 0.066 . 1 . . 526 . . 14 LEU CA . 52693 1 32 . 1 . 1 14 14 LEU CB C 13 42.452 0.036 . 1 . . 701 . . 14 LEU CB . 52693 1 33 . 1 . 1 14 14 LEU N N 15 121.631 0.014 . 1 . . 474 . . 14 LEU N . 52693 1 34 . 1 . 1 15 15 VAL H H 1 8.152 0.017 . 1 . . 543 . . 15 VAL H . 52693 1 35 . 1 . 1 15 15 VAL HA H 1 4.411 0.002 . 1 . . 702 . . 15 VAL HA . 52693 1 36 . 1 . 1 15 15 VAL C C 13 174.420 . . 1 . . 680 . . 15 VAL C . 52693 1 37 . 1 . 1 15 15 VAL CA C 13 59.839 0.011 . 1 . . 678 . . 15 VAL CA . 52693 1 38 . 1 . 1 15 15 VAL CB C 13 32.688 . . 1 . . 679 . . 15 VAL CB . 52693 1 39 . 1 . 1 15 15 VAL N N 15 122.827 0.005 . 1 . . 544 . . 15 VAL N . 52693 1 40 . 1 . 1 20 20 HIS HA H 1 4.662 0.003 . 1 . . 672 . . 20 HIS HA . 52693 1 41 . 1 . 1 21 21 MET H H 1 8.322 0.002 . 1 . . 564 . . 21 MET H . 52693 1 42 . 1 . 1 21 21 MET HA H 1 4.393 0.002 . 1 . . 668 . . 21 MET HA . 52693 1 43 . 1 . 1 21 21 MET C C 13 176.336 0.007 . 1 . . 669 . . 21 MET C . 52693 1 44 . 1 . 1 21 21 MET CA C 13 55.970 0.087 . 1 . . 562 . . 21 MET CA . 52693 1 45 . 1 . 1 21 21 MET CB C 13 32.543 0.077 . 1 . . 563 . . 21 MET CB . 52693 1 46 . 1 . 1 21 21 MET N N 15 121.141 0.002 . 1 . . 565 . . 21 MET N . 52693 1 47 . 1 . 1 22 22 GLN H H 1 8.439 0.012 . 1 . . 561 . . 22 GLN H . 52693 1 48 . 1 . 1 22 22 GLN HA H 1 4.282 0.007 . 1 . . 667 . . 22 GLN HA . 52693 1 49 . 1 . 1 22 22 GLN C C 13 176.277 0.009 . 1 . . 512 . . 22 GLN C . 52693 1 50 . 1 . 1 22 22 GLN CA C 13 56.286 0.037 . 1 . . 511 . . 22 GLN CA . 52693 1 51 . 1 . 1 22 22 GLN CB C 13 29.314 0.021 . 1 . . 510 . . 22 GLN CB . 52693 1 52 . 1 . 1 22 22 GLN N N 15 121.156 0.003 . 1 . . 560 . . 22 GLN N . 52693 1 53 . 1 . 1 23 23 GLU H H 1 8.472 0.011 . 1 . . 463 . . 23 GLU H . 52693 1 54 . 1 . 1 23 23 GLU HA H 1 4.231 0.002 . 1 . . 666 . . 23 GLU HA . 52693 1 55 . 1 . 1 23 23 GLU C C 13 176.901 0.007 . 1 . . 515 . . 23 GLU C . 52693 1 56 . 1 . 1 23 23 GLU CA C 13 57.009 0.043 . 1 . . 514 . . 23 GLU CA . 52693 1 57 . 1 . 1 23 23 GLU CB C 13 30.123 0.012 . 1 . . 513 . . 23 GLU CB . 52693 1 58 . 1 . 1 23 23 GLU N N 15 122.263 0.006 . 1 . . 464 . . 23 GLU N . 52693 1 59 . 1 . 1 24 24 ARG H H 1 8.421 0.002 . 1 . . 3 . . 24 ARG H . 52693 1 60 . 1 . 1 24 24 ARG HA H 1 4.250 0.005 . 1 . . 665 . . 24 ARG HA . 52693 1 61 . 1 . 1 24 24 ARG C C 13 176.446 0.012 . 1 . . 167 . . 24 ARG C . 52693 1 62 . 1 . 1 24 24 ARG CA C 13 56.797 0.041 . 1 . . 254 . . 24 ARG CA . 52693 1 63 . 1 . 1 24 24 ARG CB C 13 30.582 0.042 . 1 . . 559 . . 24 ARG CB . 52693 1 64 . 1 . 1 24 24 ARG N N 15 121.920 0.001 . 1 . . 4 . . 24 ARG N . 52693 1 65 . 1 . 1 25 25 ASN H H 1 8.459 0.002 . 1 . . 77 . . 25 ASN H . 52693 1 66 . 1 . 1 25 25 ASN HA H 1 4.664 0.002 . 1 . . 664 . . 25 ASN HA . 52693 1 67 . 1 . 1 25 25 ASN C C 13 175.274 0.007 . 1 . . 521 . . 25 ASN C . 52693 1 68 . 1 . 1 25 25 ASN CA C 13 53.493 0.027 . 1 . . 519 . . 25 ASN CA . 52693 1 69 . 1 . 1 25 25 ASN CB C 13 38.844 0.031 . 1 . . 520 . . 25 ASN CB . 52693 1 70 . 1 . 1 25 25 ASN N N 15 119.140 0.001 . 1 . . 78 . . 25 ASN N . 52693 1 71 . 1 . 1 26 26 ALA H H 1 8.235 0.003 . 1 . . 467 . . 26 ALA H . 52693 1 72 . 1 . 1 26 26 ALA HA H 1 4.229 0.003 . 1 . . 663 . . 26 ALA HA . 52693 1 73 . 1 . 1 26 26 ALA C C 13 177.890 0.002 . 1 . . 558 . . 26 ALA C . 52693 1 74 . 1 . 1 26 26 ALA CA C 13 53.182 0.036 . 1 . . 556 . . 26 ALA CA . 52693 1 75 . 1 . 1 26 26 ALA CB C 13 19.108 0.033 . 1 . . 557 . . 26 ALA CB . 52693 1 76 . 1 . 1 26 26 ALA N N 15 124.278 0.007 . 1 . . 468 . . 26 ALA N . 52693 1 77 . 1 . 1 27 27 ARG H H 1 8.206 0.002 . 1 . . 545 . . 27 ARG H . 52693 1 78 . 1 . 1 27 27 ARG HA H 1 4.201 0.003 . 1 . . 662 . . 27 ARG HA . 52693 1 79 . 1 . 1 27 27 ARG C C 13 176.191 0.009 . 1 . . 555 . . 27 ARG C . 52693 1 80 . 1 . 1 27 27 ARG CA C 13 56.485 0.039 . 1 . . 553 . . 27 ARG CA . 52693 1 81 . 1 . 1 27 27 ARG CB C 13 30.411 0.171 . 1 . . 554 . . 27 ARG CB . 52693 1 82 . 1 . 1 27 27 ARG N N 15 119.073 0.003 . 1 . . 546 . . 27 ARG N . 52693 1 83 . 1 . 1 28 28 TYR H H 1 8.029 0.002 . 1 . . 41 . . 28 TYR H . 52693 1 84 . 1 . 1 28 28 TYR HA H 1 4.569 0.001 . 1 . . 661 . . 28 TYR HA . 52693 1 85 . 1 . 1 28 28 TYR C C 13 175.515 . . 1 . . 483 . . 28 TYR C . 52693 1 86 . 1 . 1 28 28 TYR CA C 13 57.828 0.02 . 1 . . 482 . . 28 TYR CA . 52693 1 87 . 1 . 1 28 28 TYR CB C 13 38.705 0.051 . 1 . . 517 . . 28 TYR CB . 52693 1 88 . 1 . 1 28 28 TYR N N 15 120.355 0.006 . 1 . . 42 . . 28 TYR N . 52693 1 89 . 1 . 1 29 29 ARG H H 1 8.065 0.003 . 1 . . 465 . . 29 ARG H . 52693 1 90 . 1 . 1 29 29 ARG HA H 1 4.359 0.002 . 1 . . 660 . . 29 ARG HA . 52693 1 91 . 1 . 1 29 29 ARG C C 13 175.641 0.004 . 1 . . 347 . . 29 ARG C . 52693 1 92 . 1 . 1 29 29 ARG CA C 13 55.618 0.029 . 1 . . 348 . . 29 ARG CA . 52693 1 93 . 1 . 1 29 29 ARG CB C 13 31.103 0.062 . 1 . . 518 . . 29 ARG CB . 52693 1 94 . 1 . 1 29 29 ARG N N 15 123.176 0.009 . 1 . . 466 . . 29 ARG N . 52693 1 95 . 1 . 1 30 30 THR H H 1 8.217 0.002 . 1 . . 147 . . 30 THR H . 52693 1 96 . 1 . 1 30 30 THR HA H 1 4.514 0.004 . 1 . . 659 . . 30 THR HA . 52693 1 97 . 1 . 1 30 30 THR C C 13 172.790 0.006 . 1 . . 494 . . 30 THR C . 52693 1 98 . 1 . 1 30 30 THR CA C 13 60.039 0.038 . 1 . . 349 . . 30 THR CA . 52693 1 99 . 1 . 1 30 30 THR CB C 13 69.685 . . 1 . . 350 . . 30 THR CB . 52693 1 100 . 1 . 1 30 30 THR N N 15 118.480 0.005 . 1 . . 148 . . 30 THR N . 52693 1 101 . 1 . 1 31 31 PRO HA H 1 4.397 0.003 . 1 . . 688 . . 31 PRO HA . 52693 1 102 . 1 . 1 31 31 PRO C C 13 176.627 . . 1 . . 341 . . 31 PRO C . 52693 1 103 . 1 . 1 31 31 PRO CA C 13 63.142 0.068 . 1 . . 685 . . 31 PRO CA . 52693 1 104 . 1 . 1 31 31 PRO CB C 13 32.251 . . 1 . . 342 . . 31 PRO CB . 52693 1 105 . 1 . 1 31 31 PRO N N 15 139.109 0.001 . 1 . . 687 . . 31 PRO N . 52693 1 106 . 1 . 1 32 32 LYS H H 1 8.383 0.001 . 1 . . 135 . . 32 LYS H . 52693 1 107 . 1 . 1 32 32 LYS HA H 1 4.276 0.0 . 1 . . 686 . . 32 LYS HA . 52693 1 108 . 1 . 1 32 32 LYS C C 13 176.448 0.005 . 1 . . 444 . . 32 LYS C . 52693 1 109 . 1 . 1 32 32 LYS CA C 13 56.486 0.007 . 1 . . 492 . . 32 LYS CA . 52693 1 110 . 1 . 1 32 32 LYS CB C 13 33.057 0.019 . 1 . . 491 . . 32 LYS CB . 52693 1 111 . 1 . 1 32 32 LYS N N 15 122.156 0.01 . 1 . . 136 . . 32 LYS N . 52693 1 112 . 1 . 1 33 33 ILE H H 1 8.204 0.001 . 1 . . 31 . . 33 ILE H . 52693 1 113 . 1 . 1 33 33 ILE HA H 1 4.137 0.002 . 1 . . 684 . . 33 ILE HA . 52693 1 114 . 1 . 1 33 33 ILE C C 13 175.883 0.001 . 1 . . 411 . . 33 ILE C . 52693 1 115 . 1 . 1 33 33 ILE CA C 13 60.932 0.026 . 1 . . 413 . . 33 ILE CA . 52693 1 116 . 1 . 1 33 33 ILE CB C 13 38.667 0.002 . 1 . . 412 . . 33 ILE CB . 52693 1 117 . 1 . 1 33 33 ILE N N 15 122.919 0.008 . 1 . . 32 . . 33 ILE N . 52693 1 118 . 1 . 1 34 34 LEU H H 1 8.372 0.002 . 1 . . 121 . . 34 LEU H . 52693 1 119 . 1 . 1 34 34 LEU HA H 1 4.387 . . 1 . . 683 . . 34 LEU HA . 52693 1 120 . 1 . 1 34 34 LEU C C 13 176.764 0.006 . 1 . . 320 . . 34 LEU C . 52693 1 121 . 1 . 1 34 34 LEU CA C 13 54.855 0.047 . 1 . . 321 . . 34 LEU CA . 52693 1 122 . 1 . 1 34 34 LEU CB C 13 42.386 0.056 . 1 . . 322 . . 34 LEU CB . 52693 1 123 . 1 . 1 34 34 LEU N N 15 126.925 0.003 . 1 . . 122 . . 34 LEU N . 52693 1 124 . 1 . 1 35 35 GLU H H 1 8.347 0.002 . 1 . . 404 . . 35 GLU H . 52693 1 125 . 1 . 1 35 35 GLU HA H 1 4.600 0.001 . 1 . . 681 . . 35 GLU HA . 52693 1 126 . 1 . 1 35 35 GLU C C 13 174.642 0.008 . 1 . . 500 . . 35 GLU C . 52693 1 127 . 1 . 1 35 35 GLU CA C 13 54.275 0.017 . 1 . . 499 . . 35 GLU CA . 52693 1 128 . 1 . 1 35 35 GLU CB C 13 29.811 . . 1 . . 498 . . 35 GLU CB . 52693 1 129 . 1 . 1 35 35 GLU N N 15 123.582 0.001 . 1 . . 405 . . 35 GLU N . 52693 1 130 . 1 . 1 36 36 PRO HA H 1 4.454 0.002 . 1 . . 658 . . 36 PRO HA . 52693 1 131 . 1 . 1 36 36 PRO C C 13 177.209 0.012 . 1 . . 241 . . 36 PRO C . 52693 1 132 . 1 . 1 36 36 PRO CA C 13 63.443 0.0 . 1 . . 244 . . 36 PRO CA . 52693 1 133 . 1 . 1 36 36 PRO CB C 13 32.115 0.042 . 1 . . 245 . . 36 PRO CB . 52693 1 134 . 1 . 1 36 36 PRO N N 15 137.065 . . 1 . . 682 . . 36 PRO N . 52693 1 135 . 1 . 1 37 37 THR H H 1 8.173 0.011 . 1 . . 67 . . 37 THR H . 52693 1 136 . 1 . 1 37 37 THR HA H 1 4.257 0.004 . 1 . . 657 . . 37 THR HA . 52693 1 137 . 1 . 1 37 37 THR C C 13 174.386 0.011 . 1 . . 240 . . 37 THR C . 52693 1 138 . 1 . 1 37 37 THR CA C 13 61.925 0.033 . 1 . . 243 . . 37 THR CA . 52693 1 139 . 1 . 1 37 37 THR CB C 13 69.840 0.023 . 1 . . 242 . . 37 THR CB . 52693 1 140 . 1 . 1 37 37 THR N N 15 113.690 0.008 . 1 . . 68 . . 37 THR N . 52693 1 141 . 1 . 1 38 38 ALA H H 1 8.244 0.002 . 1 . . 71 . . 38 ALA H . 52693 1 142 . 1 . 1 38 38 ALA HA H 1 4.294 0.004 . 1 . . 656 . . 38 ALA HA . 52693 1 143 . 1 . 1 38 38 ALA C C 13 177.207 0.039 . 1 . . 249 . . 38 ALA C . 52693 1 144 . 1 . 1 38 38 ALA CA C 13 52.459 0.019 . 1 . . 250 . . 38 ALA CA . 52693 1 145 . 1 . 1 38 38 ALA CB C 13 19.349 0.006 . 1 . . 251 . . 38 ALA CB . 52693 1 146 . 1 . 1 38 38 ALA N N 15 126.240 0.005 . 1 . . 72 . . 38 ALA N . 52693 1 147 . 1 . 1 39 39 PHE H H 1 8.207 0.003 . 1 . . 440 . . 39 PHE H . 52693 1 148 . 1 . 1 39 39 PHE HA H 1 4.561 0.002 . 1 . . 655 . . 39 PHE HA . 52693 1 149 . 1 . 1 39 39 PHE C C 13 175.332 0.013 . 1 . . 442 . . 39 PHE C . 52693 1 150 . 1 . 1 39 39 PHE CA C 13 57.815 0.032 . 1 . . 503 . . 39 PHE CA . 52693 1 151 . 1 . 1 39 39 PHE CB C 13 39.588 0.046 . 1 . . 443 . . 39 PHE CB . 52693 1 152 . 1 . 1 39 39 PHE N N 15 119.851 0.022 . 1 . . 441 . . 39 PHE N . 52693 1 153 . 1 . 1 40 40 GLN H H 1 8.109 0.002 . 1 . . 25 . . 40 GLN H . 52693 1 154 . 1 . 1 40 40 GLN HA H 1 4.292 0.002 . 1 . . 654 . . 40 GLN HA . 52693 1 155 . 1 . 1 40 40 GLN C C 13 174.907 0.011 . 1 . . 186 . . 40 GLN C . 52693 1 156 . 1 . 1 40 40 GLN CA C 13 55.113 0.027 . 1 . . 188 . . 40 GLN CA . 52693 1 157 . 1 . 1 40 40 GLN CB C 13 29.969 0.083 . 1 . . 187 . . 40 GLN CB . 52693 1 158 . 1 . 1 40 40 GLN N N 15 123.012 0.006 . 1 . . 26 . . 40 GLN N . 52693 1 159 . 1 . 1 41 41 GLU H H 1 8.414 0.002 . 1 . . 57 . . 41 GLU H . 52693 1 160 . 1 . 1 41 41 GLU HA H 1 4.466 0.001 . 1 . . 653 . . 41 GLU HA . 52693 1 161 . 1 . 1 41 41 GLU C C 13 174.088 0.006 . 1 . . 419 . . 41 GLU C . 52693 1 162 . 1 . 1 41 41 GLU CA C 13 54.442 0.003 . 1 . . 420 . . 41 GLU CA . 52693 1 163 . 1 . 1 41 41 GLU CB C 13 29.682 0.08 . 1 . . 484 . . 41 GLU CB . 52693 1 164 . 1 . 1 41 41 GLU N N 15 124.491 0.011 . 1 . . 58 . . 41 GLU N . 52693 1 165 . 1 . 1 42 42 PRO N N 15 138.955 0.019 . 1 . . 719 . . 42 PRO N . 52693 1 166 . 1 . 1 44 44 PRO C C 13 176.781 0.001 . 1 . . 204 . . 44 PRO C . 52693 1 167 . 1 . 1 44 44 PRO CA C 13 62.659 . . 1 . . 205 . . 44 PRO CA . 52693 1 168 . 1 . 1 44 44 PRO CB C 13 32.080 . . 1 . . 207 . . 44 PRO CB . 52693 1 169 . 1 . 1 45 45 LYS H H 1 8.440 0.002 . 1 . . 39 . . 45 LYS H . 52693 1 170 . 1 . 1 45 45 LYS C C 13 174.758 . . 1 . . 203 . . 45 LYS C . 52693 1 171 . 1 . 1 45 45 LYS CA C 13 54.229 . . 1 . . 206 . . 45 LYS CA . 52693 1 172 . 1 . 1 45 45 LYS CB C 13 32.329 . . 1 . . 418 . . 45 LYS CB . 52693 1 173 . 1 . 1 45 45 LYS N N 15 122.797 0.002 . 1 . . 40 . . 45 LYS N . 52693 1 174 . 1 . 1 46 46 PRO HA H 1 4.444 0.003 . 1 . . 652 . . 46 PRO HA . 52693 1 175 . 1 . 1 46 46 PRO C C 13 176.936 0.008 . 1 . . 304 . . 46 PRO C . 52693 1 176 . 1 . 1 46 46 PRO CA C 13 63.096 0.04 . 1 . . 306 . . 46 PRO CA . 52693 1 177 . 1 . 1 46 46 PRO CB C 13 32.102 0.068 . 1 . . 308 . . 46 PRO CB . 52693 1 178 . 1 . 1 47 47 SER H H 1 8.483 0.002 . 1 . . 111 . . 47 SER H . 52693 1 179 . 1 . 1 47 47 SER HA H 1 4.431 0.005 . 1 . . 651 . . 47 SER HA . 52693 1 180 . 1 . 1 47 47 SER C C 13 174.247 0.011 . 1 . . 435 . . 47 SER C . 52693 1 181 . 1 . 1 47 47 SER CA C 13 58.281 0.013 . 1 . . 307 . . 47 SER CA . 52693 1 182 . 1 . 1 47 47 SER CB C 13 63.883 0.01 . 1 . . 305 . . 47 SER CB . 52693 1 183 . 1 . 1 47 47 SER N N 15 116.809 0.006 . 1 . . 112 . . 47 SER N . 52693 1 184 . 1 . 1 48 48 ARG H H 1 8.387 0.003 . 1 . . 548 . . 48 ARG H . 52693 1 185 . 1 . 1 48 48 ARG HA H 1 4.367 0.0 . 1 . . 650 . . 48 ARG HA . 52693 1 186 . 1 . 1 48 48 ARG C C 13 177.855 . . 1 . . 552 . . 48 ARG C . 52693 1 187 . 1 . 1 48 48 ARG CA C 13 55.223 0.016 . 1 . . 550 . . 48 ARG CA . 52693 1 188 . 1 . 1 48 48 ARG CB C 13 30.493 . . 1 . . 551 . . 48 ARG CB . 52693 1 189 . 1 . 1 48 48 ARG N N 15 123.897 0.005 . 1 . . 547 . . 48 ARG N . 52693 1 190 . 1 . 1 49 49 PRO HA H 1 4.397 0.001 . 1 . . 649 . . 49 PRO HA . 52693 1 191 . 1 . 1 49 49 PRO C C 13 176.760 0.001 . 1 . . 170 . . 49 PRO C . 52693 1 192 . 1 . 1 49 49 PRO CA C 13 63.112 0.007 . 1 . . 378 . . 49 PRO CA . 52693 1 193 . 1 . 1 49 49 PRO CB C 13 32.117 0.097 . 1 . . 648 . . 49 PRO CB . 52693 1 194 . 1 . 1 50 50 LYS H H 1 8.463 0.002 . 1 . . 9 . . 50 LYS H . 52693 1 195 . 1 . 1 50 50 LYS HA H 1 4.224 0.005 . 1 . . 647 . . 50 LYS HA . 52693 1 196 . 1 . 1 50 50 LYS C C 13 176.269 0.003 . 1 . . 171 . . 50 LYS C . 52693 1 197 . 1 . 1 50 50 LYS CA C 13 56.410 0.035 . 1 . . 379 . . 50 LYS CA . 52693 1 198 . 1 . 1 50 50 LYS CB C 13 33.039 0.047 . 1 . . 480 . . 50 LYS CB . 52693 1 199 . 1 . 1 50 50 LYS N N 15 121.811 0.0 . 1 . . 10 . . 50 LYS N . 52693 1 200 . 1 . 1 51 51 TYR H H 1 8.269 0.002 . 1 . . 475 . . 51 TYR H . 52693 1 201 . 1 . 1 51 51 TYR HA H 1 4.512 0.009 . 1 . . 646 . . 51 TYR HA . 52693 1 202 . 1 . 1 51 51 TYR C C 13 174.960 0.01 . 1 . . 325 . . 51 TYR C . 52693 1 203 . 1 . 1 51 51 TYR CA C 13 57.983 0.011 . 1 . . 329 . . 51 TYR CA . 52693 1 204 . 1 . 1 51 51 TYR CB C 13 38.967 0.038 . 1 . . 326 . . 51 TYR CB . 52693 1 205 . 1 . 1 51 51 TYR N N 15 122.203 0.002 . 1 . . 476 . . 51 TYR N . 52693 1 206 . 1 . 1 52 52 ARG H H 1 8.009 0.005 . 1 . . 125 . . 52 ARG H . 52693 1 207 . 1 . 1 52 52 ARG HA H 1 4.538 0.003 . 1 . . 645 . . 52 ARG HA . 52693 1 208 . 1 . 1 52 52 ARG C C 13 172.644 . . 1 . . 324 . . 52 ARG C . 52693 1 209 . 1 . 1 52 52 ARG CA C 13 53.003 0.017 . 1 . . 328 . . 52 ARG CA . 52693 1 210 . 1 . 1 52 52 ARG CB C 13 30.940 . . 1 . . 327 . . 52 ARG CB . 52693 1 211 . 1 . 1 52 52 ARG N N 15 126.691 0.015 . 1 . . 126 . . 52 ARG N . 52693 1 212 . 1 . 1 55 55 PRO HA H 1 4.413 0.002 . 1 . . 644 . . 55 PRO HA . 52693 1 213 . 1 . 1 55 55 PRO C C 13 176.966 0.004 . 1 . . 292 . . 55 PRO C . 52693 1 214 . 1 . 1 55 55 PRO CA C 13 62.967 0.019 . 1 . . 293 . . 55 PRO CA . 52693 1 215 . 1 . 1 55 55 PRO CB C 13 31.988 0.092 . 1 . . 295 . . 55 PRO CB . 52693 1 216 . 1 . 1 56 56 GLN H H 1 8.553 0.002 . 1 . . 105 . . 56 GLN H . 52693 1 217 . 1 . 1 56 56 GLN HA H 1 4.375 0.002 . 1 . . 643 . . 56 GLN HA . 52693 1 218 . 1 . 1 56 56 GLN C C 13 176.271 0.011 . 1 . . 291 . . 56 GLN C . 52693 1 219 . 1 . 1 56 56 GLN CA C 13 55.887 0.02 . 1 . . 294 . . 56 GLN CA . 52693 1 220 . 1 . 1 56 56 GLN CB C 13 29.486 0.018 . 1 . . 296 . . 56 GLN CB . 52693 1 221 . 1 . 1 56 56 GLN N N 15 120.631 0.006 . 1 . . 106 . . 56 GLN N . 52693 1 222 . 1 . 1 57 57 THR H H 1 8.227 0.003 . 1 . . 51 . . 57 THR H . 52693 1 223 . 1 . 1 57 57 THR HA H 1 4.297 0.004 . 1 . . 642 . . 57 THR HA . 52693 1 224 . 1 . 1 57 57 THR C C 13 174.157 0.015 . 1 . . 174 . . 57 THR C . 52693 1 225 . 1 . 1 57 57 THR CA C 13 62.065 0.014 . 1 . . 217 . . 57 THR CA . 52693 1 226 . 1 . 1 57 57 THR CB C 13 69.890 0.051 . 1 . . 216 . . 57 THR CB . 52693 1 227 . 1 . 1 57 57 THR N N 15 115.469 0.005 . 1 . . 52 . . 57 THR N . 52693 1 228 . 1 . 1 58 58 ASN H H 1 8.528 0.006 . 1 . . 13 . . 58 ASN H . 52693 1 229 . 1 . 1 58 58 ASN HA H 1 4.715 0.002 . 1 . . 641 . . 58 ASN HA . 52693 1 230 . 1 . 1 58 58 ASN C C 13 175.131 . . 1 . . 173 . . 58 ASN C . 52693 1 231 . 1 . 1 58 58 ASN CA C 13 53.210 0.027 . 1 . . 301 . . 58 ASN CA . 52693 1 232 . 1 . 1 58 58 ASN CB C 13 38.616 0.048 . 1 . . 303 . . 58 ASN CB . 52693 1 233 . 1 . 1 58 58 ASN N N 15 121.024 0.038 . 1 . . 14 . . 58 ASN N . 52693 1 234 . 1 . 1 59 59 LEU H H 1 8.273 0.002 . 1 . . 109 . . 59 LEU H . 52693 1 235 . 1 . 1 59 59 LEU HA H 1 4.295 0.002 . 1 . . 640 . . 59 LEU HA . 52693 1 236 . 1 . 1 59 59 LEU C C 13 177.225 0.007 . 1 . . 298 . . 59 LEU C . 52693 1 237 . 1 . 1 59 59 LEU CA C 13 55.535 0.03 . 1 . . 300 . . 59 LEU CA . 52693 1 238 . 1 . 1 59 59 LEU CB C 13 42.236 0.048 . 1 . . 302 . . 59 LEU CB . 52693 1 239 . 1 . 1 59 59 LEU N N 15 122.772 0.007 . 1 . . 110 . . 59 LEU N . 52693 1 240 . 1 . 1 60 60 LEU H H 1 8.129 0.002 . 1 . . 165 . . 60 LEU H . 52693 1 241 . 1 . 1 60 60 LEU HA H 1 4.351 0.008 . 1 . . 639 . . 60 LEU HA . 52693 1 242 . 1 . 1 60 60 LEU C C 13 176.651 . . 1 . . 235 . . 60 LEU C . 52693 1 243 . 1 . 1 60 60 LEU CA C 13 54.748 0.038 . 1 . . 237 . . 60 LEU CA . 52693 1 244 . 1 . 1 60 60 LEU CB C 13 42.249 0.044 . 1 . . 238 . . 60 LEU CB . 52693 1 245 . 1 . 1 60 60 LEU N N 15 121.999 0.007 . 1 . . 166 . . 60 LEU N . 52693 1 246 . 1 . 1 61 61 ALA H H 1 8.057 0.002 . 1 . . 63 . . 61 ALA H . 52693 1 247 . 1 . 1 61 61 ALA HA H 1 4.563 0.002 . 1 . . 638 . . 61 ALA HA . 52693 1 248 . 1 . 1 61 61 ALA C C 13 175.332 0.012 . 1 . . 234 . . 61 ALA C . 52693 1 249 . 1 . 1 61 61 ALA CA C 13 50.578 0.031 . 1 . . 236 . . 61 ALA CA . 52693 1 250 . 1 . 1 61 61 ALA CB C 13 18.172 . . 1 . . 239 . . 61 ALA CB . 52693 1 251 . 1 . 1 61 61 ALA N N 15 125.833 0.01 . 1 . . 64 . . 61 ALA N . 52693 1 252 . 1 . 1 62 62 PRO HA H 1 4.387 0.001 . 1 . . 637 . . 62 PRO HA . 52693 1 253 . 1 . 1 62 62 PRO C C 13 176.964 0.006 . 1 . . 283 . . 62 PRO C . 52693 1 254 . 1 . 1 62 62 PRO CA C 13 63.254 0.016 . 1 . . 284 . . 62 PRO CA . 52693 1 255 . 1 . 1 62 62 PRO CB C 13 32.150 0.005 . 1 . . 287 . . 62 PRO CB . 52693 1 256 . 1 . 1 62 62 PRO N N 15 135.638 . . 1 . . 717 . . 62 PRO N . 52693 1 257 . 1 . 1 63 63 LYS H H 1 8.404 0.001 . 1 . . 101 . . 63 LYS H . 52693 1 258 . 1 . 1 63 63 LYS HA H 1 4.268 0.004 . 1 . . 636 . . 63 LYS HA . 52693 1 259 . 1 . 1 63 63 LYS C C 13 176.646 0.003 . 1 . . 282 . . 63 LYS C . 52693 1 260 . 1 . 1 63 63 LYS CA C 13 56.329 0.023 . 1 . . 285 . . 63 LYS CA . 52693 1 261 . 1 . 1 63 63 LYS CB C 13 32.859 0.028 . 1 . . 286 . . 63 LYS CB . 52693 1 262 . 1 . 1 63 63 LYS N N 15 121.154 0.007 . 1 . . 102 . . 63 LYS N . 52693 1 263 . 1 . 1 64 64 LEU H H 1 8.238 0.002 . 1 . . 426 . . 64 LEU H . 52693 1 264 . 1 . 1 64 64 LEU HA H 1 4.312 0.002 . 1 . . 635 . . 64 LEU HA . 52693 1 265 . 1 . 1 64 64 LEU C C 13 177.110 0.012 . 1 . . 428 . . 64 LEU C . 52693 1 266 . 1 . 1 64 64 LEU CA C 13 55.106 0.044 . 1 . . 502 . . 64 LEU CA . 52693 1 267 . 1 . 1 64 64 LEU CB C 13 42.332 0.04 . 1 . . 501 . . 64 LEU CB . 52693 1 268 . 1 . 1 64 64 LEU N N 15 123.357 0.013 . 1 . . 427 . . 64 LEU N . 52693 1 269 . 1 . 1 65 65 GLN H H 1 8.302 0.003 . 1 . . 5 . . 65 GLN H . 52693 1 270 . 1 . 1 65 65 GLN HA H 1 4.247 0.002 . 1 . . 634 . . 65 GLN HA . 52693 1 271 . 1 . 1 65 65 GLN C C 13 175.392 0.008 . 1 . . 168 . . 65 GLN C . 52693 1 272 . 1 . 1 65 65 GLN CA C 13 55.925 0.05 . 1 . . 377 . . 65 GLN CA . 52693 1 273 . 1 . 1 65 65 GLN CB C 13 29.563 0.087 . 1 . . 376 . . 65 GLN CB . 52693 1 274 . 1 . 1 65 65 GLN N N 15 120.911 0.01 . 1 . . 6 . . 65 GLN N . 52693 1 275 . 1 . 1 66 66 PHE H H 1 8.190 0.003 . 1 . . 15 . . 66 PHE H . 52693 1 276 . 1 . 1 66 66 PHE HA H 1 4.637 0.007 . 1 . . 633 . . 66 PHE HA . 52693 1 277 . 1 . 1 66 66 PHE C C 13 175.194 0.004 . 1 . . 399 . . 66 PHE C . 52693 1 278 . 1 . 1 66 66 PHE CA C 13 57.485 0.012 . 1 . . 400 . . 66 PHE CA . 52693 1 279 . 1 . 1 66 66 PHE CB C 13 39.638 0.09 . 1 . . 401 . . 66 PHE CB . 52693 1 280 . 1 . 1 66 66 PHE N N 15 120.774 0.004 . 1 . . 16 . . 66 PHE N . 52693 1 281 . 1 . 1 67 67 GLN H H 1 8.260 0.002 . 1 . . 137 . . 67 GLN H . 52693 1 282 . 1 . 1 67 67 GLN HA H 1 4.338 0.003 . 1 . . 632 . . 67 GLN HA . 52693 1 283 . 1 . 1 67 67 GLN C C 13 175.244 0.007 . 1 . . 445 . . 67 GLN C . 52693 1 284 . 1 . 1 67 67 GLN CA C 13 55.406 0.016 . 1 . . 447 . . 67 GLN CA . 52693 1 285 . 1 . 1 67 67 GLN CB C 13 29.737 0.027 . 1 . . 446 . . 67 GLN CB . 52693 1 286 . 1 . 1 67 67 GLN N N 15 122.260 0.007 . 1 . . 138 . . 67 GLN N . 52693 1 287 . 1 . 1 68 68 VAL H H 1 8.260 0.002 . 1 . . 81 . . 68 VAL H . 52693 1 288 . 1 . 1 68 68 VAL HA H 1 4.352 0.0 . 1 . . 631 . . 68 VAL HA . 52693 1 289 . 1 . 1 68 68 VAL C C 13 174.553 0.003 . 1 . . 257 . . 68 VAL C . 52693 1 290 . 1 . 1 68 68 VAL CA C 13 60.048 0.008 . 1 . . 258 . . 68 VAL CA . 52693 1 291 . 1 . 1 68 68 VAL CB C 13 32.524 . . 1 . . 259 . . 68 VAL CB . 52693 1 292 . 1 . 1 68 68 VAL N N 15 123.296 0.003 . 1 . . 82 . . 68 VAL N . 52693 1 293 . 1 . 1 69 69 PRO HA H 1 4.389 0.003 . 1 . . 630 . . 69 PRO HA . 52693 1 294 . 1 . 1 69 69 PRO C C 13 176.844 0.005 . 1 . . 331 . . 69 PRO C . 52693 1 295 . 1 . 1 69 69 PRO CA C 13 63.264 0.035 . 1 . . 332 . . 69 PRO CA . 52693 1 296 . 1 . 1 69 69 PRO CB C 13 32.144 0.044 . 1 . . 333 . . 69 PRO CB . 52693 1 297 . 1 . 1 69 69 PRO N N 15 139.600 . . 1 . . 716 . . 69 PRO N . 52693 1 298 . 1 . 1 70 70 GLU H H 1 8.563 0.003 . 1 . . 129 . . 70 GLU H . 52693 1 299 . 1 . 1 70 70 GLU HA H 1 4.224 0.005 . 1 . . 629 . . 70 GLU HA . 52693 1 300 . 1 . 1 70 70 GLU C C 13 177.220 0.015 . 1 . . 330 . . 70 GLU C . 52693 1 301 . 1 . 1 70 70 GLU CA C 13 57.090 0.036 . 1 . . 185 . . 70 GLU CA . 52693 1 302 . 1 . 1 70 70 GLU CB C 13 30.293 0.016 . 1 . . 334 . . 70 GLU CB . 52693 1 303 . 1 . 1 70 70 GLU N N 15 121.425 0.0 . 1 . . 130 . . 70 GLU N . 52693 1 304 . 1 . 1 71 71 GLY H H 1 8.485 0.002 . 1 . . 23 . . 71 GLY H . 52693 1 305 . 1 . 1 71 71 GLY HA2 H 1 3.948 0.007 . 1 . . 628 . . 71 GLY HA2 . 52693 1 306 . 1 . 1 71 71 GLY C C 13 174.205 0.01 . 1 . . 263 . . 71 GLY C . 52693 1 307 . 1 . 1 71 71 GLY CA C 13 45.362 0.044 . 1 . . 184 . . 71 GLY CA . 52693 1 308 . 1 . 1 71 71 GLY N N 15 109.816 0.005 . 1 . . 24 . . 71 GLY N . 52693 1 309 . 1 . 1 72 72 LEU H H 1 8.094 0.003 . 1 . . 87 . . 72 LEU H . 52693 1 310 . 1 . 1 72 72 LEU HA H 1 4.371 0.002 . 1 . . 627 . . 72 LEU HA . 52693 1 311 . 1 . 1 72 72 LEU C C 13 177.404 0.005 . 1 . . 262 . . 72 LEU C . 52693 1 312 . 1 . 1 72 72 LEU CA C 13 55.354 0.126 . 1 . . 264 . . 72 LEU CA . 52693 1 313 . 1 . 1 72 72 LEU CB C 13 42.385 0.039 . 1 . . 265 . . 72 LEU CB . 52693 1 314 . 1 . 1 72 72 LEU N N 15 121.607 0.011 . 1 . . 88 . . 72 LEU N . 52693 1 315 . 1 . 1 73 73 CYS H H 1 8.402 0.002 . 1 . . 49 . . 73 CYS H . 52693 1 316 . 1 . 1 73 73 CYS HA H 1 4.487 0.002 . 1 . . 626 . . 73 CYS HA . 52693 1 317 . 1 . 1 73 73 CYS C C 13 174.404 0.011 . 1 . . 213 . . 73 CYS C . 52693 1 318 . 1 . 1 73 73 CYS CA C 13 58.450 0.016 . 1 . . 214 . . 73 CYS CA . 52693 1 319 . 1 . 1 73 73 CYS CB C 13 28.072 0.008 . 1 . . 215 . . 73 CYS CB . 52693 1 320 . 1 . 1 73 73 CYS N N 15 120.053 0.009 . 1 . . 50 . . 73 CYS N . 52693 1 321 . 1 . 1 74 74 ALA H H 1 8.460 0.004 . 1 . . 153 . . 74 ALA H . 52693 1 322 . 1 . 1 74 74 ALA HA H 1 4.348 0.006 . 1 . . 625 . . 74 ALA HA . 52693 1 323 . 1 . 1 74 74 ALA C C 13 177.615 0.005 . 1 . . 355 . . 74 ALA C . 52693 1 324 . 1 . 1 74 74 ALA CA C 13 52.765 0.047 . 1 . . 356 . . 74 ALA CA . 52693 1 325 . 1 . 1 74 74 ALA CB C 13 19.294 0.053 . 1 . . 357 . . 74 ALA CB . 52693 1 326 . 1 . 1 74 74 ALA N N 15 126.644 0.011 . 1 . . 154 . . 74 ALA N . 52693 1 327 . 1 . 1 75 75 SER H H 1 8.277 0.003 . 1 . . 133 . . 75 SER H . 52693 1 328 . 1 . 1 75 75 SER HA H 1 4.473 0.002 . 1 . . 624 . . 75 SER HA . 52693 1 329 . 1 . 1 75 75 SER C C 13 174.200 0.016 . 1 . . 338 . . 75 SER C . 52693 1 330 . 1 . 1 75 75 SER CA C 13 58.210 0.052 . 1 . . 339 . . 75 SER CA . 52693 1 331 . 1 . 1 75 75 SER CB C 13 63.899 0.006 . 1 . . 340 . . 75 SER CB . 52693 1 332 . 1 . 1 75 75 SER N N 15 114.825 0.004 . 1 . . 134 . . 75 SER N . 52693 1 333 . 1 . 1 76 76 SER H H 1 8.280 0.003 . 1 . . 143 . . 76 SER H . 52693 1 334 . 1 . 1 76 76 SER HA H 1 4.776 . . 1 . . 623 . . 76 SER HA . 52693 1 335 . 1 . 1 76 76 SER C C 13 172.877 0.002 . 1 . . 448 . . 76 SER C . 52693 1 336 . 1 . 1 76 76 SER CA C 13 56.487 0.028 . 1 . . 345 . . 76 SER CA . 52693 1 337 . 1 . 1 76 76 SER CB C 13 63.539 . . 1 . . 344 . . 76 SER CB . 52693 1 338 . 1 . 1 76 76 SER N N 15 118.720 0.005 . 1 . . 144 . . 76 SER N . 52693 1 339 . 1 . 1 77 77 PRO HA H 1 4.506 0.003 . 1 . . 622 . . 77 PRO HA . 52693 1 340 . 1 . 1 77 77 PRO C C 13 177.032 0.003 . 1 . . 227 . . 77 PRO C . 52693 1 341 . 1 . 1 77 77 PRO CA C 13 63.427 0.039 . 1 . . 230 . . 77 PRO CA . 52693 1 342 . 1 . 1 77 77 PRO CB C 13 32.140 0.054 . 1 . . 228 . . 77 PRO CB . 52693 1 343 . 1 . 1 77 77 PRO N N 15 138.157 . . 1 . . 715 . . 77 PRO N . 52693 1 344 . 1 . 1 78 78 THR H H 1 8.238 0.004 . 1 . . 61 . . 78 THR H . 52693 1 345 . 1 . 1 78 78 THR HA H 1 4.301 0.001 . 1 . . 621 . . 78 THR HA . 52693 1 346 . 1 . 1 78 78 THR C C 13 174.578 0.008 . 1 . . 343 . . 78 THR C . 52693 1 347 . 1 . 1 78 78 THR CA C 13 62.065 0.035 . 1 . . 229 . . 78 THR CA . 52693 1 348 . 1 . 1 78 78 THR CB C 13 69.760 0.012 . 1 . . 231 . . 78 THR CB . 52693 1 349 . 1 . 1 78 78 THR N N 15 114.447 0.027 . 1 . . 62 . . 78 THR N . 52693 1 350 . 1 . 1 79 79 LEU H H 1 8.299 0.002 . 1 . . 141 . . 79 LEU H . 52693 1 351 . 1 . 1 79 79 LEU HA H 1 4.454 0.005 . 1 . . 620 . . 79 LEU HA . 52693 1 352 . 1 . 1 79 79 LEU C C 13 177.383 0.012 . 1 . . 455 . . 79 LEU C . 52693 1 353 . 1 . 1 79 79 LEU CA C 13 55.253 0.022 . 1 . . 497 . . 79 LEU CA . 52693 1 354 . 1 . 1 79 79 LEU CB C 13 42.401 0.06 . 1 . . 395 . . 79 LEU CB . 52693 1 355 . 1 . 1 79 79 LEU N N 15 124.900 0.086 . 1 . . 142 . . 79 LEU N . 52693 1 356 . 1 . 1 80 80 THR H H 1 8.153 0.003 . 1 . . 47 . . 80 THR H . 52693 1 357 . 1 . 1 80 80 THR HA H 1 4.366 0.003 . 1 . . 619 . . 80 THR HA . 52693 1 358 . 1 . 1 80 80 THR C C 13 174.305 0.02 . 1 . . 423 . . 80 THR C . 52693 1 359 . 1 . 1 80 80 THR CA C 13 61.642 0.03 . 1 . . 211 . . 80 THR CA . 52693 1 360 . 1 . 1 80 80 THR CB C 13 69.956 0.004 . 1 . . 212 . . 80 THR CB . 52693 1 361 . 1 . 1 80 80 THR N N 15 114.745 0.028 . 1 . . 48 . . 80 THR N . 52693 1 362 . 1 . 1 81 81 SER H H 1 8.333 0.003 . 1 . . 73 . . 81 SER H . 52693 1 363 . 1 . 1 81 81 SER HA H 1 4.774 0.001 . 1 . . 618 . . 81 SER HA . 52693 1 364 . 1 . 1 81 81 SER C C 13 172.630 0.014 . 1 . . 549 . . 81 SER C . 52693 1 365 . 1 . 1 81 81 SER CA C 13 56.469 0.004 . 1 . . 422 . . 81 SER CA . 52693 1 366 . 1 . 1 81 81 SER CB C 13 63.478 . . 1 . . 424 . . 81 SER CB . 52693 1 367 . 1 . 1 81 81 SER N N 15 119.535 0.026 . 1 . . 74 . . 81 SER N . 52693 1 368 . 1 . 1 82 82 PRO C C 13 176.858 . . 1 . . 312 . . 82 PRO C . 52693 1 369 . 1 . 1 82 82 PRO CA C 13 63.376 . . 1 . . 313 . . 82 PRO CA . 52693 1 370 . 1 . 1 82 82 PRO CB C 13 32.131 . . 1 . . 316 . . 82 PRO CB . 52693 1 371 . 1 . 1 82 82 PRO N N 15 137.586 . . 1 . . 703 . . 82 PRO N . 52693 1 372 . 1 . 1 83 83 MET H H 1 8.330 0.002 . 1 . . 117 . . 83 MET H . 52693 1 373 . 1 . 1 83 83 MET HA H 1 4.381 . . 1 . . 723 . . 83 MET HA . 52693 1 374 . 1 . 1 83 83 MET C C 13 175.783 0.003 . 1 . . 311 . . 83 MET C . 52693 1 375 . 1 . 1 83 83 MET CA C 13 55.525 0.017 . 1 . . 314 . . 83 MET CA . 52693 1 376 . 1 . 1 83 83 MET CB C 13 32.935 0.003 . 1 . . 315 . . 83 MET CB . 52693 1 377 . 1 . 1 83 83 MET N N 15 119.942 0.015 . 1 . . 118 . . 83 MET N . 52693 1 378 . 1 . 1 84 84 GLU H H 1 8.195 0.001 . 1 . . 19 . . 84 GLU H . 52693 1 379 . 1 . 1 84 84 GLU HA H 1 4.245 . . 1 . . 722 . . 84 GLU HA . 52693 1 380 . 1 . 1 84 84 GLU C C 13 175.515 0.003 . 1 . . 408 . . 84 GLU C . 52693 1 381 . 1 . 1 84 84 GLU CA C 13 56.177 0.003 . 1 . . 385 . . 84 GLU CA . 52693 1 382 . 1 . 1 84 84 GLU CB C 13 30.771 0.011 . 1 . . 384 . . 84 GLU CB . 52693 1 383 . 1 . 1 84 84 GLU N N 15 121.725 0.003 . 1 . . 20 . . 84 GLU N . 52693 1 384 . 1 . 1 85 85 TYR H H 1 8.248 0.001 . 1 . . 159 . . 85 TYR H . 52693 1 385 . 1 . 1 85 85 TYR HA H 1 4.800 0.003 . 1 . . 721 . . 85 TYR HA . 52693 1 386 . 1 . 1 85 85 TYR C C 13 173.820 0.003 . 1 . . 366 . . 85 TYR C . 52693 1 387 . 1 . 1 85 85 TYR CA C 13 55.738 0.007 . 1 . . 495 . . 85 TYR CA . 52693 1 388 . 1 . 1 85 85 TYR CB C 13 38.384 0.014 . 1 . . 367 . . 85 TYR CB . 52693 1 389 . 1 . 1 85 85 TYR N N 15 122.018 0.012 . 1 . . 160 . . 85 TYR N . 52693 1 390 . 1 . 1 86 86 PRO HA H 1 4.468 0.002 . 1 . . 698 . . 86 PRO HA . 52693 1 391 . 1 . 1 86 86 PRO C C 13 176.599 0.024 . 1 . . 199 . . 86 PRO C . 52693 1 392 . 1 . 1 86 86 PRO CA C 13 63.029 0.021 . 1 . . 695 . . 86 PRO CA . 52693 1 393 . 1 . 1 86 86 PRO CB C 13 31.990 0.04 . 1 . . 202 . . 86 PRO CB . 52693 1 394 . 1 . 1 86 86 PRO N N 15 136.849 0.002 . 1 . . 720 . . 86 PRO N . 52693 1 395 . 1 . 1 87 87 SER H H 1 8.415 0.002 . 1 . . 37 . . 87 SER H . 52693 1 396 . 1 . 1 87 87 SER HA H 1 4.763 0.006 . 1 . . 697 . . 87 SER HA . 52693 1 397 . 1 . 1 87 87 SER C C 13 173.066 0.009 . 1 . . 198 . . 87 SER C . 52693 1 398 . 1 . 1 87 87 SER CA C 13 56.454 0.01 . 1 . . 200 . . 87 SER CA . 52693 1 399 . 1 . 1 87 87 SER CB C 13 63.491 . . 1 . . 201 . . 87 SER CB . 52693 1 400 . 1 . 1 87 87 SER N N 15 117.775 0.009 . 1 . . 38 . . 87 SER N . 52693 1 401 . 1 . 1 88 88 PRO C C 13 177.216 0.005 . 1 . . 438 . . 88 PRO C . 52693 1 402 . 1 . 1 88 88 PRO CA C 13 63.362 . . 1 . . 392 . . 88 PRO CA . 52693 1 403 . 1 . 1 88 88 PRO CB C 13 32.101 . . 1 . . 391 . . 88 PRO CB . 52693 1 404 . 1 . 1 88 88 PRO N N 15 138.002 0.003 . 1 . . 696 . . 88 PRO N . 52693 1 405 . 1 . 1 89 89 VAL H H 1 8.199 0.001 . 1 . . 127 . . 89 VAL H . 52693 1 406 . 1 . 1 89 89 VAL HA H 1 4.057 0.001 . 1 . . 617 . . 89 VAL HA . 52693 1 407 . 1 . 1 89 89 VAL C C 13 176.096 . . 1 . . 439 . . 89 VAL C . 52693 1 408 . 1 . 1 89 89 VAL CA C 13 62.643 0.056 . 1 . . 490 . . 89 VAL CA . 52693 1 409 . 1 . 1 89 89 VAL CB C 13 32.479 0.045 . 1 . . 489 . . 89 VAL CB . 52693 1 410 . 1 . 1 89 89 VAL N N 15 119.796 0.001 . 1 . . 128 . . 89 VAL N . 52693 1 411 . 1 . 1 90 90 ASN H H 1 8.450 0.004 . 1 . . 471 . . 90 ASN H . 52693 1 412 . 1 . 1 90 90 ASN HA H 1 4.738 0.002 . 1 . . 616 . . 90 ASN HA . 52693 1 413 . 1 . 1 90 90 ASN C C 13 175.282 0.018 . 1 . . 335 . . 90 ASN C . 52693 1 414 . 1 . 1 90 90 ASN CA C 13 53.246 0.015 . 1 . . 573 . . 90 ASN CA . 52693 1 415 . 1 . 1 90 90 ASN CB C 13 38.943 0.039 . 1 . . 574 . . 90 ASN CB . 52693 1 416 . 1 . 1 90 90 ASN N N 15 121.883 0.002 . 1 . . 472 . . 90 ASN N . 52693 1 417 . 1 . 1 91 91 SER H H 1 8.282 0.003 . 1 . . 131 . . 91 SER H . 52693 1 418 . 1 . 1 91 91 SER HA H 1 4.402 0.007 . 1 . . 615 . . 91 SER HA . 52693 1 419 . 1 . 1 91 91 SER C C 13 174.471 0.017 . 1 . . 572 . . 91 SER C . 52693 1 420 . 1 . 1 91 91 SER CA C 13 58.602 0.027 . 1 . . 337 . . 91 SER CA . 52693 1 421 . 1 . 1 91 91 SER CB C 13 63.808 0.052 . 1 . . 336 . . 91 SER CB . 52693 1 422 . 1 . 1 91 91 SER N N 15 116.452 0.008 . 1 . . 132 . . 91 SER N . 52693 1 423 . 1 . 1 92 92 LEU H H 1 8.225 0.002 . 1 . . 83 . . 92 LEU H . 52693 1 424 . 1 . 1 92 92 LEU HA H 1 4.308 0.011 . 1 . . 614 . . 92 LEU HA . 52693 1 425 . 1 . 1 92 92 LEU C C 13 177.161 0.005 . 1 . . 485 . . 92 LEU C . 52693 1 426 . 1 . 1 92 92 LEU CA C 13 55.402 0.054 . 1 . . 425 . . 92 LEU CA . 52693 1 427 . 1 . 1 92 92 LEU CB C 13 42.245 0.03 . 1 . . 388 . . 92 LEU CB . 52693 1 428 . 1 . 1 92 92 LEU N N 15 123.285 0.007 . 1 . . 84 . . 92 LEU N . 52693 1 429 . 1 . 1 93 93 HIS H H 1 8.323 0.006 . 1 . . 570 . . 93 HIS H . 52693 1 430 . 1 . 1 93 93 HIS HA H 1 4.715 0.001 . 1 . . 613 . . 93 HIS HA . 52693 1 431 . 1 . 1 93 93 HIS C C 13 174.794 0.002 . 1 . . 359 . . 93 HIS C . 52693 1 432 . 1 . 1 93 93 HIS CA C 13 55.566 0.04 . 1 . . 362 . . 93 HIS CA . 52693 1 433 . 1 . 1 93 93 HIS N N 15 119.262 0.006 . 1 . . 571 . . 93 HIS N . 52693 1 434 . 1 . 1 94 94 THR H H 1 8.128 0.003 . 1 . . 155 . . 94 THR H . 52693 1 435 . 1 . 1 94 94 THR HA H 1 4.558 0.002 . 1 . . 612 . . 94 THR HA . 52693 1 436 . 1 . 1 94 94 THR C C 13 172.208 0.002 . 1 . . 358 . . 94 THR C . 52693 1 437 . 1 . 1 94 94 THR CA C 13 59.896 0.012 . 1 . . 360 . . 94 THR CA . 52693 1 438 . 1 . 1 94 94 THR CB C 13 69.750 . . 1 . . 361 . . 94 THR CB . 52693 1 439 . 1 . 1 94 94 THR N N 15 118.438 0.001 . 1 . . 156 . . 94 THR N . 52693 1 440 . 1 . 1 95 95 PRO N N 15 140.494 . . 1 . . 714 . . 95 PRO N . 52693 1 441 . 1 . 1 109 109 ARG H H 1 8.461 0.001 . 1 . . 689 . . 109 ARG H . 52693 1 442 . 1 . 1 109 109 ARG HA H 1 4.361 . . 1 . . 713 . . 109 ARG HA . 52693 1 443 . 1 . 1 109 109 ARG C C 13 176.570 0.007 . 1 . . 194 . . 109 ARG C . 52693 1 444 . 1 . 1 109 109 ARG CA C 13 56.043 0.02 . 1 . . 197 . . 109 ARG CA . 52693 1 445 . 1 . 1 109 109 ARG CB C 13 30.964 0.021 . 1 . . 196 . . 109 ARG CB . 52693 1 446 . 1 . 1 109 109 ARG N N 15 121.877 0.01 . 1 . . 690 . . 109 ARG N . 52693 1 447 . 1 . 1 110 110 GLU H H 1 8.651 0.004 . 1 . . 33 . . 110 GLU H . 52693 1 448 . 1 . 1 110 110 GLU HA H 1 4.126 0.001 . 1 . . 712 . . 110 GLU HA . 52693 1 449 . 1 . 1 110 110 GLU C C 13 177.223 0.007 . 1 . . 246 . . 110 GLU C . 52693 1 450 . 1 . 1 110 110 GLU CA C 13 57.752 0.008 . 1 . . 528 . . 110 GLU CA . 52693 1 451 . 1 . 1 110 110 GLU CB C 13 29.956 0.027 . 1 . . 195 . . 110 GLU CB . 52693 1 452 . 1 . 1 110 110 GLU N N 15 122.736 0.008 . 1 . . 34 . . 110 GLU N . 52693 1 453 . 1 . 1 111 111 GLU H H 1 8.724 0.006 . 1 . . 69 . . 111 GLU H . 52693 1 454 . 1 . 1 111 111 GLU HA H 1 4.200 0.001 . 1 . . 711 . . 111 GLU HA . 52693 1 455 . 1 . 1 111 111 GLU C C 13 176.306 0.009 . 1 . . 210 . . 111 GLU C . 52693 1 456 . 1 . 1 111 111 GLU CA C 13 57.259 0.018 . 1 . . 248 . . 111 GLU CA . 52693 1 457 . 1 . 1 111 111 GLU CB C 13 30.025 0.078 . 1 . . 247 . . 111 GLU CB . 52693 1 458 . 1 . 1 111 111 GLU N N 15 119.890 0.044 . 1 . . 70 . . 111 GLU N . 52693 1 459 . 1 . 1 112 112 ASP H H 1 8.137 0.003 . 1 . . 45 . . 112 ASP H . 52693 1 460 . 1 . 1 112 112 ASP HA H 1 4.563 . . 1 . . 710 . . 112 ASP HA . 52693 1 461 . 1 . 1 112 112 ASP C C 13 175.853 0.002 . 1 . . 363 . . 112 ASP C . 52693 1 462 . 1 . 1 112 112 ASP CA C 13 54.656 0.011 . 1 . . 530 . . 112 ASP CA . 52693 1 463 . 1 . 1 112 112 ASP CB C 13 41.212 0.028 . 1 . . 529 . . 112 ASP CB . 52693 1 464 . 1 . 1 112 112 ASP N N 15 120.161 0.013 . 1 . . 46 . . 112 ASP N . 52693 1 465 . 1 . 1 113 113 PHE H H 1 7.955 0.002 . 1 . . 157 . . 113 PHE H . 52693 1 466 . 1 . 1 113 113 PHE HA H 1 4.588 0.01 . 1 . . 709 . . 113 PHE HA . 52693 1 467 . 1 . 1 113 113 PHE C C 13 175.239 0.002 . 1 . . 451 . . 113 PHE C . 52693 1 468 . 1 . 1 113 113 PHE CA C 13 57.839 0.026 . 1 . . 365 . . 113 PHE CA . 52693 1 469 . 1 . 1 113 113 PHE CB C 13 39.656 0.007 . 1 . . 364 . . 113 PHE CB . 52693 1 470 . 1 . 1 113 113 PHE N N 15 119.849 0.017 . 1 . . 158 . . 113 PHE N . 52693 1 471 . 1 . 1 114 114 ILE H H 1 7.940 0.002 . 1 . . 75 . . 114 ILE H . 52693 1 472 . 1 . 1 114 114 ILE HA H 1 4.065 0.001 . 1 . . 708 . . 114 ILE HA . 52693 1 473 . 1 . 1 114 114 ILE C C 13 175.491 0.015 . 1 . . 224 . . 114 ILE C . 52693 1 474 . 1 . 1 114 114 ILE CA C 13 60.695 0.008 . 1 . . 253 . . 114 ILE CA . 52693 1 475 . 1 . 1 114 114 ILE CB C 13 38.649 0.049 . 1 . . 252 . . 114 ILE CB . 52693 1 476 . 1 . 1 114 114 ILE N N 15 123.464 0.016 . 1 . . 76 . . 114 ILE N . 52693 1 477 . 1 . 1 115 115 GLN H H 1 8.438 0.002 . 1 . . 59 . . 115 GLN H . 52693 1 478 . 1 . 1 115 115 GLN HA H 1 4.501 0.001 . 1 . . 707 . . 115 GLN HA . 52693 1 479 . 1 . 1 115 115 GLN C C 13 174.133 0.002 . 1 . . 223 . . 115 GLN C . 52693 1 480 . 1 . 1 115 115 GLN CA C 13 53.608 0.013 . 1 . . 226 . . 115 GLN CA . 52693 1 481 . 1 . 1 115 115 GLN CB C 13 28.830 . . 1 . . 225 . . 115 GLN CB . 52693 1 482 . 1 . 1 115 115 GLN N N 15 125.830 0.018 . 1 . . 60 . . 115 GLN N . 52693 1 483 . 1 . 1 116 116 PRO N N 15 137.629 0.051 . 1 . . 706 . . 116 PRO N . 52693 1 484 . 1 . 1 156 156 LYS CA C 13 56.413 . . 1 . . 539 . . 156 LYS CA . 52693 1 485 . 1 . 1 156 156 LYS CB C 13 33.014 . . 1 . . 538 . . 156 LYS CB . 52693 1 486 . 1 . 1 157 157 SER H H 1 8.295 0.002 . 1 . . 123 . . 157 SER H . 52693 1 487 . 1 . 1 157 157 SER C C 13 174.451 0.012 . 1 . . 437 . . 157 SER C . 52693 1 488 . 1 . 1 157 157 SER CA C 13 58.416 . . 1 . . 390 . . 157 SER CA . 52693 1 489 . 1 . 1 157 157 SER CB C 13 63.784 . . 1 . . 323 . . 157 SER CB . 52693 1 490 . 1 . 1 157 157 SER N N 15 116.667 0.006 . 1 . . 124 . . 157 SER N . 52693 1 491 . 1 . 1 158 158 LEU H H 1 8.274 0.003 . 1 . . 566 . . 158 LEU H . 52693 1 492 . 1 . 1 158 158 LEU HA H 1 4.362 0.002 . 1 . . 611 . . 158 LEU HA . 52693 1 493 . 1 . 1 158 158 LEU C C 13 176.776 0.0 . 1 . . 267 . . 158 LEU C . 52693 1 494 . 1 . 1 158 158 LEU CA C 13 54.907 0.018 . 1 . . 268 . . 158 LEU CA . 52693 1 495 . 1 . 1 158 158 LEU CB C 13 42.435 0.042 . 1 . . 270 . . 158 LEU CB . 52693 1 496 . 1 . 1 158 158 LEU N N 15 124.129 0.008 . 1 . . 567 . . 158 LEU N . 52693 1 497 . 1 . 1 159 159 ASP H H 1 8.286 0.002 . 1 . . 89 . . 159 ASP H . 52693 1 498 . 1 . 1 159 159 ASP C C 13 174.854 . . 1 . . 266 . . 159 ASP C . 52693 1 499 . 1 . 1 159 159 ASP CA C 13 52.136 . . 1 . . 269 . . 159 ASP CA . 52693 1 500 . 1 . 1 159 159 ASP CB C 13 41.409 . . 1 . . 271 . . 159 ASP CB . 52693 1 501 . 1 . 1 159 159 ASP N N 15 123.064 0.009 . 1 . . 90 . . 159 ASP N . 52693 1 502 . 1 . 1 160 160 PRO HA H 1 4.334 0.002 . 1 . . 610 . . 160 PRO HA . 52693 1 503 . 1 . 1 160 160 PRO C C 13 177.455 0.013 . 1 . . 353 . . 160 PRO C . 52693 1 504 . 1 . 1 160 160 PRO CA C 13 63.712 0.027 . 1 . . 541 . . 160 PRO CA . 52693 1 505 . 1 . 1 160 160 PRO CB C 13 32.175 0.039 . 1 . . 532 . . 160 PRO CB . 52693 1 506 . 1 . 1 161 161 MET H H 1 8.469 0.002 . 1 . . 151 . . 161 MET H . 52693 1 507 . 1 . 1 161 161 MET HA H 1 4.360 0.001 . 1 . . 609 . . 161 MET HA . 52693 1 508 . 1 . 1 161 161 MET C C 13 176.759 0.015 . 1 . . 309 . . 161 MET C . 52693 1 509 . 1 . 1 161 161 MET CA C 13 55.902 0.002 . 1 . . 542 . . 161 MET CA . 52693 1 510 . 1 . 1 161 161 MET CB C 13 32.076 0.015 . 1 . . 354 . . 161 MET CB . 52693 1 511 . 1 . 1 161 161 MET N N 15 118.477 0.004 . 1 . . 152 . . 161 MET N . 52693 1 512 . 1 . 1 162 162 VAL H H 1 7.811 0.002 . 1 . . 113 . . 162 VAL H . 52693 1 513 . 1 . 1 162 162 VAL HA H 1 3.987 0.003 . 1 . . 608 . . 162 VAL HA . 52693 1 514 . 1 . 1 162 162 VAL C C 13 175.971 0.007 . 1 . . 351 . . 162 VAL C . 52693 1 515 . 1 . 1 162 162 VAL CA C 13 62.907 0.009 . 1 . . 537 . . 162 VAL CA . 52693 1 516 . 1 . 1 162 162 VAL CB C 13 32.659 0.024 . 1 . . 536 . . 162 VAL CB . 52693 1 517 . 1 . 1 162 162 VAL N N 15 119.937 0.007 . 1 . . 114 . . 162 VAL N . 52693 1 518 . 1 . 1 163 163 TYR H H 1 8.058 0.002 . 1 . . 149 . . 163 TYR H . 52693 1 519 . 1 . 1 163 163 TYR HA H 1 4.568 0.003 . 1 . . 607 . . 163 TYR HA . 52693 1 520 . 1 . 1 163 163 TYR C C 13 175.799 0.032 . 1 . . 297 . . 163 TYR C . 52693 1 521 . 1 . 1 163 163 TYR CA C 13 58.023 0.055 . 1 . . 352 . . 163 TYR CA . 52693 1 522 . 1 . 1 163 163 TYR CB C 13 38.681 0.041 . 1 . . 540 . . 163 TYR CB . 52693 1 523 . 1 . 1 163 163 TYR N N 15 122.155 0.006 . 1 . . 150 . . 163 TYR N . 52693 1 524 . 1 . 1 164 164 MET H H 1 8.123 0.002 . 1 . . 65 . . 164 MET H . 52693 1 525 . 1 . 1 164 164 MET HA H 1 4.425 0.002 . 1 . . 606 . . 164 MET HA . 52693 1 526 . 1 . 1 164 164 MET C C 13 175.735 0.002 . 1 . . 409 . . 164 MET C . 52693 1 527 . 1 . 1 164 164 MET CA C 13 55.540 0.05 . 1 . . 534 . . 164 MET CA . 52693 1 528 . 1 . 1 164 164 MET CB C 13 32.793 0.032 . 1 . . 535 . . 164 MET CB . 52693 1 529 . 1 . 1 164 164 MET N N 15 121.494 0.009 . 1 . . 66 . . 164 MET N . 52693 1 530 . 1 . 1 165 165 ASN H H 1 8.295 0.002 . 1 . . 27 . . 165 ASN H . 52693 1 531 . 1 . 1 165 165 ASN HA H 1 4.664 0.001 . 1 . . 605 . . 165 ASN HA . 52693 1 532 . 1 . 1 165 165 ASN C C 13 174.889 0.007 . 1 . . 410 . . 165 ASN C . 52693 1 533 . 1 . 1 165 165 ASN CA C 13 53.448 0.016 . 1 . . 387 . . 165 ASN CA . 52693 1 534 . 1 . 1 165 165 ASN CB C 13 39.009 0.015 . 1 . . 386 . . 165 ASN CB . 52693 1 535 . 1 . 1 165 165 ASN N N 15 119.465 0.005 . 1 . . 28 . . 165 ASN N . 52693 1 536 . 1 . 1 166 166 ASP H H 1 8.320 0.002 . 1 . . 1 . . 166 ASP H . 52693 1 537 . 1 . 1 166 166 ASP HA H 1 4.560 0.007 . 1 . . 604 . . 166 ASP HA . 52693 1 538 . 1 . 1 166 166 ASP C C 13 176.147 0.014 . 1 . . 531 . . 166 ASP C . 52693 1 539 . 1 . 1 166 166 ASP CA C 13 54.509 0.017 . 1 . . 533 . . 166 ASP CA . 52693 1 540 . 1 . 1 166 166 ASP CB C 13 41.020 0.004 . 1 . . 375 . . 166 ASP CB . 52693 1 541 . 1 . 1 166 166 ASP N N 15 120.666 0.003 . 1 . . 2 . . 166 ASP N . 52693 1 542 . 1 . 1 167 167 LYS H H 1 8.192 0.003 . 1 . . 397 . . 167 LYS H . 52693 1 543 . 1 . 1 167 167 LYS HA H 1 4.348 0.003 . 1 . . 603 . . 167 LYS HA . 52693 1 544 . 1 . 1 167 167 LYS C C 13 176.490 0.008 . 1 . . 436 . . 167 LYS C . 52693 1 545 . 1 . 1 167 167 LYS CA C 13 55.920 0.012 . 1 . . 402 . . 167 LYS CA . 52693 1 546 . 1 . 1 167 167 LYS CB C 13 32.862 0.047 . 1 . . 403 . . 167 LYS CB . 52693 1 547 . 1 . 1 167 167 LYS N N 15 120.779 0.024 . 1 . . 398 . . 167 LYS N . 52693 1 548 . 1 . 1 168 168 SER H H 1 8.324 0.002 . 1 . . 161 . . 168 SER H . 52693 1 549 . 1 . 1 168 168 SER HA H 1 4.693 0.001 . 1 . . 602 . . 168 SER HA . 52693 1 550 . 1 . 1 168 168 SER C C 13 172.917 0.004 . 1 . . 452 . . 168 SER C . 52693 1 551 . 1 . 1 168 168 SER CA C 13 56.641 0.012 . 1 . . 368 . . 168 SER CA . 52693 1 552 . 1 . 1 168 168 SER CB C 13 63.342 . . 1 . . 369 . . 168 SER CB . 52693 1 553 . 1 . 1 168 168 SER N N 15 118.295 0.002 . 1 . . 162 . . 168 SER N . 52693 1 554 . 1 . 1 169 169 PRO HA H 1 4.462 0.001 . 1 . . 601 . . 169 PRO HA . 52693 1 555 . 1 . 1 169 169 PRO C C 13 176.787 0.001 . 1 . . 406 . . 169 PRO C . 52693 1 556 . 1 . 1 169 169 PRO CA C 13 63.226 0.009 . 1 . . 178 . . 169 PRO CA . 52693 1 557 . 1 . 1 169 169 PRO CB C 13 32.069 0.052 . 1 . . 175 . . 169 PRO CB . 52693 1 558 . 1 . 1 169 169 PRO N N 15 137.713 . . 1 . . 677 . . 169 PRO N . 52693 1 559 . 1 . 1 170 170 LEU H H 1 8.307 0.002 . 1 . . 17 . . 170 LEU H . 52693 1 560 . 1 . 1 170 170 LEU HA H 1 4.350 0.002 . 1 . . 600 . . 170 LEU HA . 52693 1 561 . 1 . 1 170 170 LEU C C 13 177.332 0.006 . 1 . . 407 . . 170 LEU C . 52693 1 562 . 1 . 1 170 170 LEU CA C 13 55.215 0.096 . 1 . . 177 . . 170 LEU CA . 52693 1 563 . 1 . 1 170 170 LEU CB C 13 42.258 0.012 . 1 . . 176 . . 170 LEU CB . 52693 1 564 . 1 . 1 170 170 LEU N N 15 121.769 0.004 . 1 . . 18 . . 170 LEU N . 52693 1 565 . 1 . 1 171 171 THR H H 1 8.086 0.002 . 1 . . 119 . . 171 THR H . 52693 1 566 . 1 . 1 171 171 THR HA H 1 4.603 0.001 . 1 . . 599 . . 171 THR HA . 52693 1 567 . 1 . 1 171 171 THR C C 13 172.898 0.006 . 1 . . 317 . . 171 THR C . 52693 1 568 . 1 . 1 171 171 THR CA C 13 59.531 0.014 . 1 . . 318 . . 171 THR CA . 52693 1 569 . 1 . 1 171 171 THR CB C 13 69.644 . . 1 . . 319 . . 171 THR CB . 52693 1 570 . 1 . 1 171 171 THR N N 15 116.856 0.008 . 1 . . 120 . . 171 THR N . 52693 1 571 . 1 . 1 172 172 PRO HA H 1 4.387 0.002 . 1 . . 598 . . 172 PRO HA . 52693 1 572 . 1 . 1 172 172 PRO C C 13 177.102 0.008 . 1 . . 189 . . 172 PRO C . 52693 1 573 . 1 . 1 172 172 PRO CA C 13 63.455 0.063 . 1 . . 190 . . 172 PRO CA . 52693 1 574 . 1 . 1 172 172 PRO CB C 13 32.119 0.034 . 1 . . 192 . . 172 PRO CB . 52693 1 575 . 1 . 1 172 172 PRO N N 15 138.396 0.007 . 1 . . 676 . . 172 PRO N . 52693 1 576 . 1 . 1 173 173 GLU H H 1 8.613 0.002 . 1 . . 29 . . 173 GLU H . 52693 1 577 . 1 . 1 173 173 GLU HA H 1 4.149 0.002 . 1 . . 597 . . 173 GLU HA . 52693 1 578 . 1 . 1 173 173 GLU C C 13 176.651 0.009 . 1 . . 310 . . 173 GLU C . 52693 1 579 . 1 . 1 173 173 GLU CA C 13 57.011 0.022 . 1 . . 191 . . 173 GLU CA . 52693 1 580 . 1 . 1 173 173 GLU CB C 13 29.991 0.037 . 1 . . 193 . . 173 GLU CB . 52693 1 581 . 1 . 1 173 173 GLU N N 15 120.900 0.008 . 1 . . 30 . . 173 GLU N . 52693 1 582 . 1 . 1 174 174 LYS H H 1 8.240 0.002 . 1 . . 115 . . 174 LYS H . 52693 1 583 . 1 . 1 174 174 LYS HA H 1 4.271 0.002 . 1 . . 596 . . 174 LYS HA . 52693 1 584 . 1 . 1 174 174 LYS C C 13 176.443 0.015 . 1 . . 459 . . 174 LYS C . 52693 1 585 . 1 . 1 174 174 LYS CA C 13 56.264 0.01 . 1 . . 479 . . 174 LYS CA . 52693 1 586 . 1 . 1 174 174 LYS CB C 13 33.242 0.017 . 1 . . 488 . . 174 LYS CB . 52693 1 587 . 1 . 1 174 174 LYS N N 15 121.635 0.005 . 1 . . 116 . . 174 LYS N . 52693 1 588 . 1 . 1 175 175 GLU H H 1 8.393 0.001 . 1 . . 456 . . 175 GLU H . 52693 1 589 . 1 . 1 175 175 GLU HA H 1 4.294 0.003 . 1 . . 595 . . 175 GLU HA . 52693 1 590 . 1 . 1 175 175 GLU C C 13 176.580 0.014 . 1 . . 460 . . 175 GLU C . 52693 1 591 . 1 . 1 175 175 GLU CA C 13 56.565 0.002 . 1 . . 458 . . 175 GLU CA . 52693 1 592 . 1 . 1 175 175 GLU CB C 13 30.246 0.053 . 1 . . 504 . . 175 GLU CB . 52693 1 593 . 1 . 1 175 175 GLU N N 15 122.241 0.017 . 1 . . 457 . . 175 GLU N . 52693 1 594 . 1 . 1 176 176 VAL H H 1 8.250 0.002 . 1 . . 97 . . 176 VAL H . 52693 1 595 . 1 . 1 176 176 VAL HA H 1 4.061 0.002 . 1 . . 594 . . 176 VAL HA . 52693 1 596 . 1 . 1 176 176 VAL C C 13 176.758 0.005 . 1 . . 279 . . 176 VAL C . 52693 1 597 . 1 . 1 176 176 VAL CA C 13 62.890 0.038 . 1 . . 281 . . 176 VAL CA . 52693 1 598 . 1 . 1 176 176 VAL CB C 13 32.580 0.084 . 1 . . 280 . . 176 VAL CB . 52693 1 599 . 1 . 1 176 176 VAL N N 15 121.257 0.005 . 1 . . 98 . . 176 VAL N . 52693 1 600 . 1 . 1 177 177 GLY H H 1 8.492 0.002 . 1 . . 79 . . 177 GLY H . 52693 1 601 . 1 . 1 177 177 GLY HA2 H 1 3.901 0.009 . 1 . . 593 . . 177 GLY HA2 . 52693 1 602 . 1 . 1 177 177 GLY C C 13 173.877 0.01 . 1 . . 255 . . 177 GLY C . 52693 1 603 . 1 . 1 177 177 GLY CA C 13 45.295 0.048 . 1 . . 256 . . 177 GLY CA . 52693 1 604 . 1 . 1 177 177 GLY N N 15 112.197 0.015 . 1 . . 80 . . 177 GLY N . 52693 1 605 . 1 . 1 178 178 TYR H H 1 7.991 0.001 . 1 . . 43 . . 178 TYR H . 52693 1 606 . 1 . 1 178 178 TYR HA H 1 4.495 0.003 . 1 . . 592 . . 178 TYR HA . 52693 1 607 . 1 . 1 178 178 TYR C C 13 175.650 0.001 . 1 . . 208 . . 178 TYR C . 52693 1 608 . 1 . 1 178 178 TYR CA C 13 58.232 0.007 . 1 . . 450 . . 178 TYR CA . 52693 1 609 . 1 . 1 178 178 TYR CB C 13 38.782 0.061 . 1 . . 209 . . 178 TYR CB . 52693 1 610 . 1 . 1 178 178 TYR N N 15 120.147 0.005 . 1 . . 44 . . 178 TYR N . 52693 1 611 . 1 . 1 179 179 LEU H H 1 8.088 0.003 . 1 . . 91 . . 179 LEU H . 52693 1 612 . 1 . 1 179 179 LEU HA H 1 4.241 0.003 . 1 . . 591 . . 179 LEU HA . 52693 1 613 . 1 . 1 179 179 LEU C C 13 176.692 0.01 . 1 . . 272 . . 179 LEU C . 52693 1 614 . 1 . 1 179 179 LEU CA C 13 54.983 0.026 . 1 . . 273 . . 179 LEU CA . 52693 1 615 . 1 . 1 179 179 LEU CB C 13 42.533 0.055 . 1 . . 274 . . 179 LEU CB . 52693 1 616 . 1 . 1 179 179 LEU N N 15 124.252 0.005 . 1 . . 92 . . 179 LEU N . 52693 1 617 . 1 . 1 180 180 GLU H H 1 8.206 0.002 . 1 . . 139 . . 180 GLU H . 52693 1 618 . 1 . 1 180 180 GLU HA H 1 4.152 0.001 . 1 . . 590 . . 180 GLU HA . 52693 1 619 . 1 . 1 180 180 GLU C C 13 175.994 0.033 . 1 . . 218 . . 180 GLU C . 52693 1 620 . 1 . 1 180 180 GLU CA C 13 56.675 0.021 . 1 . . 394 . . 180 GLU CA . 52693 1 621 . 1 . 1 180 180 GLU CB C 13 30.338 0.038 . 1 . . 393 . . 180 GLU CB . 52693 1 622 . 1 . 1 180 180 GLU N N 15 121.481 0.058 . 1 . . 140 . . 180 GLU N . 52693 1 623 . 1 . 1 181 181 PHE H H 1 8.268 0.002 . 1 . . 95 . . 181 PHE H . 52693 1 624 . 1 . 1 181 181 PHE HA H 1 4.699 0.003 . 1 . . 589 . . 181 PHE HA . 52693 1 625 . 1 . 1 181 181 PHE C C 13 175.925 0.0 . 1 . . 276 . . 181 PHE C . 52693 1 626 . 1 . 1 181 181 PHE CA C 13 57.781 0.01 . 1 . . 278 . . 181 PHE CA . 52693 1 627 . 1 . 1 181 181 PHE CB C 13 39.656 0.057 . 1 . . 277 . . 181 PHE CB . 52693 1 628 . 1 . 1 181 181 PHE N N 15 121.204 0.06 . 1 . . 96 . . 181 PHE N . 52693 1 629 . 1 . 1 182 182 THR H H 1 8.126 0.003 . 1 . . 53 . . 182 THR H . 52693 1 630 . 1 . 1 182 182 THR HA H 1 4.340 0.006 . 1 . . 588 . . 182 THR HA . 52693 1 631 . 1 . 1 182 182 THR C C 13 174.420 0.018 . 1 . . 169 . . 182 THR C . 52693 1 632 . 1 . 1 182 182 THR CA C 13 61.593 0.026 . 1 . . 219 . . 182 THR CA . 52693 1 633 . 1 . 1 182 182 THR CB C 13 69.892 0.016 . 1 . . 421 . . 182 THR CB . 52693 1 634 . 1 . 1 182 182 THR N N 15 115.957 0.014 . 1 . . 54 . . 182 THR N . 52693 1 635 . 1 . 1 183 183 GLY H H 1 7.655 0.002 . 1 . . 7 . . 183 GLY H . 52693 1 636 . 1 . 1 183 183 GLY HA2 H 1 4.012 0.005 . 1 . . 587 . . 183 GLY HA2 . 52693 1 637 . 1 . 1 183 183 GLY C C 13 170.829 0.013 . 1 . . 477 . . 183 GLY C . 52693 1 638 . 1 . 1 183 183 GLY CA C 13 44.571 0.02 . 1 . . 396 . . 183 GLY CA . 52693 1 639 . 1 . 1 183 183 GLY N N 15 110.759 0.006 . 1 . . 8 . . 183 GLY N . 52693 1 640 . 1 . 1 184 184 PRO N N 15 135.531 . . 1 . . 675 . . 184 PRO N . 52693 1 641 . 1 . 1 185 185 PRO HA H 1 4.411 0.001 . 1 . . 586 . . 185 PRO HA . 52693 1 642 . 1 . 1 185 185 PRO C C 13 176.992 0.002 . 1 . . 172 . . 185 PRO C . 52693 1 643 . 1 . 1 185 185 PRO CA C 13 62.999 0.015 . 1 . . 381 . . 185 PRO CA . 52693 1 644 . 1 . 1 185 185 PRO CB C 13 32.015 0.002 . 1 . . 380 . . 185 PRO CB . 52693 1 645 . 1 . 1 186 186 GLN H H 1 8.470 0.012 . 1 . . 11 . . 186 GLN H . 52693 1 646 . 1 . 1 186 186 GLN HA H 1 4.297 0.002 . 1 . . 584 . . 186 GLN HA . 52693 1 647 . 1 . 1 186 186 GLN C C 13 175.835 0.007 . 1 . . 430 . . 186 GLN C . 52693 1 648 . 1 . 1 186 186 GLN CA C 13 55.557 0.014 . 1 . . 383 . . 186 GLN CA . 52693 1 649 . 1 . 1 186 186 GLN CB C 13 29.675 0.024 . 1 . . 382 . . 186 GLN CB . 52693 1 650 . 1 . 1 186 186 GLN N N 15 120.768 0.007 . 1 . . 12 . . 186 GLN N . 52693 1 651 . 1 . 1 187 187 LYS H H 1 8.430 0.016 . 1 . . 99 . . 187 LYS H . 52693 1 652 . 1 . 1 187 187 LYS HA H 1 4.588 . . 1 . . 585 . . 187 LYS HA . 52693 1 653 . 1 . 1 187 187 LYS C C 13 173.982 0.0 . 1 . . 486 . . 187 LYS C . 52693 1 654 . 1 . 1 187 187 LYS CA C 13 54.136 0.044 . 1 . . 431 . . 187 LYS CA . 52693 1 655 . 1 . 1 187 187 LYS CB C 13 32.473 . . 1 . . 432 . . 187 LYS CB . 52693 1 656 . 1 . 1 187 187 LYS N N 15 124.091 0.007 . 1 . . 100 . . 187 LYS N . 52693 1 657 . 1 . 1 188 188 PRO N N 15 138.416 . . 1 . . 674 . . 188 PRO N . 52693 1 658 . 1 . 1 189 189 PRO HA H 1 4.416 0.005 . 1 . . 583 . . 189 PRO HA . 52693 1 659 . 1 . 1 189 189 PRO C C 13 176.742 0.002 . 1 . . 180 . . 189 PRO C . 52693 1 660 . 1 . 1 189 189 PRO CA C 13 62.902 0.014 . 1 . . 181 . . 189 PRO CA . 52693 1 661 . 1 . 1 189 189 PRO CB C 13 32.110 0.023 . 1 . . 183 . . 189 PRO CB . 52693 1 662 . 1 . 1 190 190 ARG H H 1 8.426 0.001 . 1 . . 21 . . 190 ARG H . 52693 1 663 . 1 . 1 190 190 ARG HA H 1 4.299 0.003 . 1 . . 582 . . 190 ARG HA . 52693 1 664 . 1 . 1 190 190 ARG C C 13 176.274 0.018 . 1 . . 179 . . 190 ARG C . 52693 1 665 . 1 . 1 190 190 ARG CA C 13 56.037 0.012 . 1 . . 182 . . 190 ARG CA . 52693 1 666 . 1 . 1 190 190 ARG CB C 13 30.746 0.006 . 1 . . 429 . . 190 ARG CB . 52693 1 667 . 1 . 1 190 190 ARG N N 15 121.347 0.006 . 1 . . 22 . . 190 ARG N . 52693 1 668 . 1 . 1 191 191 LEU H H 1 8.391 0.004 . 1 . . 93 . . 191 LEU H . 52693 1 669 . 1 . 1 191 191 LEU HA H 1 4.365 0.003 . 1 . . 581 . . 191 LEU HA . 52693 1 670 . 1 . 1 191 191 LEU C C 13 177.855 0.003 . 1 . . 453 . . 191 LEU C . 52693 1 671 . 1 . 1 191 191 LEU CA C 13 55.234 0.026 . 1 . . 275 . . 191 LEU CA . 52693 1 672 . 1 . 1 191 191 LEU CB C 13 42.383 0.072 . 1 . . 389 . . 191 LEU CB . 52693 1 673 . 1 . 1 191 191 LEU N N 15 124.148 0.01 . 1 . . 94 . . 191 LEU N . 52693 1 674 . 1 . 1 192 192 GLY H H 1 8.492 0.002 . 1 . . 232 . . 192 GLY H . 52693 1 675 . 1 . 1 192 192 GLY HA2 H 1 3.942 0.005 . 1 . . 580 . . 192 GLY HA2 . 52693 1 676 . 1 . 1 192 192 GLY C C 13 174.004 0.006 . 1 . . 289 . . 192 GLY C . 52693 1 677 . 1 . 1 192 192 GLY CA C 13 45.213 0.019 . 1 . . 454 . . 192 GLY CA . 52693 1 678 . 1 . 1 192 192 GLY N N 15 110.224 0.007 . 1 . . 233 . . 192 GLY N . 52693 1 679 . 1 . 1 193 193 ALA H H 1 8.241 0.002 . 1 . . 103 . . 193 ALA H . 52693 1 680 . 1 . 1 193 193 ALA HA H 1 4.310 0.002 . 1 . . 579 . . 193 ALA HA . 52693 1 681 . 1 . 1 193 193 ALA C C 13 177.889 0.009 . 1 . . 288 . . 193 ALA C . 52693 1 682 . 1 . 1 193 193 ALA CA C 13 52.648 0.012 . 1 . . 290 . . 193 ALA CA . 52693 1 683 . 1 . 1 193 193 ALA CB C 13 19.279 0.065 . 1 . . 433 . . 193 ALA CB . 52693 1 684 . 1 . 1 193 193 ALA N N 15 123.794 0.005 . 1 . . 104 . . 193 ALA N . 52693 1 685 . 1 . 1 194 194 GLN H H 1 8.454 0.002 . 1 . . 85 . . 194 GLN H . 52693 1 686 . 1 . 1 194 194 GLN HA H 1 4.355 0.002 . 1 . . 578 . . 194 GLN HA . 52693 1 687 . 1 . 1 194 194 GLN C C 13 176.010 0.011 . 1 . . 260 . . 194 GLN C . 52693 1 688 . 1 . 1 194 194 GLN CA C 13 55.831 0.01 . 1 . . 478 . . 194 GLN CA . 52693 1 689 . 1 . 1 194 194 GLN CB C 13 29.552 0.047 . 1 . . 261 . . 194 GLN CB . 52693 1 690 . 1 . 1 194 194 GLN N N 15 119.304 0.01 . 1 . . 86 . . 194 GLN N . 52693 1 691 . 1 . 1 195 195 SER H H 1 8.351 0.002 . 1 . . 55 . . 195 SER H . 52693 1 692 . 1 . 1 195 195 SER HA H 1 4.465 0.002 . 1 . . 577 . . 195 SER HA . 52693 1 693 . 1 . 1 195 195 SER C C 13 174.294 0.017 . 1 . . 220 . . 195 SER C . 52693 1 694 . 1 . 1 195 195 SER CA C 13 58.349 0.012 . 1 . . 221 . . 195 SER CA . 52693 1 695 . 1 . 1 195 195 SER CB C 13 63.828 0.004 . 1 . . 222 . . 195 SER CB . 52693 1 696 . 1 . 1 195 195 SER N N 15 117.331 0.005 . 1 . . 56 . . 195 SER N . 52693 1 697 . 1 . 1 196 196 ILE H H 1 8.220 0.002 . 1 . . 414 . . 196 ILE H . 52693 1 698 . 1 . 1 196 196 ILE HA H 1 4.220 0.001 . 1 . . 576 . . 196 ILE HA . 52693 1 699 . 1 . 1 196 196 ILE C C 13 175.459 0.006 . 1 . . 370 . . 196 ILE C . 52693 1 700 . 1 . 1 196 196 ILE CA C 13 61.391 0.026 . 1 . . 416 . . 196 ILE CA . 52693 1 701 . 1 . 1 196 196 ILE CB C 13 38.812 0.048 . 1 . . 417 . . 196 ILE CB . 52693 1 702 . 1 . 1 196 196 ILE N N 15 122.812 0.007 . 1 . . 415 . . 196 ILE N . 52693 1 703 . 1 . 1 197 197 GLN H H 1 8.019 0.001 . 1 . . 163 . . 197 GLN H . 52693 1 704 . 1 . 1 197 197 GLN HA H 1 4.170 0.003 . 1 . . 575 . . 197 GLN HA . 52693 1 705 . 1 . 1 197 197 GLN C C 13 180.455 . . 1 . . 496 . . 197 GLN C . 52693 1 706 . 1 . 1 197 197 GLN CA C 13 57.461 0.038 . 1 . . 371 . . 197 GLN CA . 52693 1 707 . 1 . 1 197 197 GLN CB C 13 30.551 . . 1 . . 372 . . 197 GLN CB . 52693 1 708 . 1 . 1 197 197 GLN N N 15 129.137 0.006 . 1 . . 164 . . 197 GLN N . 52693 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52693 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name Helix_KFL_Pyk2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '2D 1H-15N HSQC' . . . 52693 2 7 '3D HNCO' . . . 52693 2 8 '3D HN(CA)CO' . . . 52693 2 9 '3D HNCACB' . . . 52693 2 10 '3D HN(CO)CACB' . . . 52693 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52693 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 3 3 ARG C C 13 177.208 . . 1 . . 192 . . 3 ARG C . 52693 2 2 . 2 . 2 3 3 ARG CA C 13 57.277 . . 1 . . 193 . . 3 ARG CA . 52693 2 3 . 2 . 2 3 3 ARG CB C 13 30.514 . . 1 . . 194 . . 3 ARG CB . 52693 2 4 . 2 . 2 4 4 GLU H H 1 8.495 0.002 . 1 . . 63 . . 4 GLU H . 52693 2 5 . 2 . 2 4 4 GLU HA H 1 4.187 . . 1 . . 191 . . 4 GLU HA . 52693 2 6 . 2 . 2 4 4 GLU C C 13 177.656 0.002 . 1 . . 159 . . 4 GLU C . 52693 2 7 . 2 . 2 4 4 GLU CA C 13 57.996 0.021 . 1 . . 157 . . 4 GLU CA . 52693 2 8 . 2 . 2 4 4 GLU CB C 13 29.832 0.03 . 1 . . 158 . . 4 GLU CB . 52693 2 9 . 2 . 2 4 4 GLU N N 15 121.198 0.066 . 1 . . 64 . . 4 GLU N . 52693 2 10 . 2 . 2 5 5 GLU H H 1 8.344 0.003 . 1 . . 39 . . 5 GLU H . 52693 2 11 . 2 . 2 5 5 GLU HA H 1 4.171 0.006 . 1 . . 190 . . 5 GLU HA . 52693 2 12 . 2 . 2 5 5 GLU C C 13 177.480 . . 1 . . 132 . . 5 GLU C . 52693 2 13 . 2 . 2 5 5 GLU CA C 13 57.822 0.066 . 1 . . 188 . . 5 GLU CA . 52693 2 14 . 2 . 2 5 5 GLU CB C 13 30.087 0.044 . 1 . . 189 . . 5 GLU CB . 52693 2 15 . 2 . 2 5 5 GLU N N 15 121.424 0.006 . 1 . . 40 . . 5 GLU N . 52693 2 16 . 2 . 2 6 6 ALA H H 1 8.255 0.003 . 1 . . 53 . . 6 ALA H . 52693 2 17 . 2 . 2 6 6 ALA HA H 1 4.211 0.003 . 1 . . 166 . . 6 ALA HA . 52693 2 18 . 2 . 2 6 6 ALA C C 13 179.039 0.016 . 1 . . 195 . . 6 ALA C . 52693 2 19 . 2 . 2 6 6 ALA CA C 13 53.839 0.034 . 1 . . 148 . . 6 ALA CA . 52693 2 20 . 2 . 2 6 6 ALA CB C 13 18.626 0.01 . 1 . . 149 . . 6 ALA CB . 52693 2 21 . 2 . 2 6 6 ALA N N 15 123.416 0.033 . 1 . . 54 . . 6 ALA N . 52693 2 22 . 2 . 2 7 7 GLN H H 1 8.219 0.002 . 1 . . 45 . . 7 GLN H . 52693 2 23 . 2 . 2 7 7 GLN HA H 1 4.150 . . 1 . . 196 . . 7 GLN HA . 52693 2 24 . 2 . 2 7 7 GLN C C 13 177.186 0.001 . 1 . . 141 . . 7 GLN C . 52693 2 25 . 2 . 2 7 7 GLN CA C 13 57.324 0.035 . 1 . . 139 . . 7 GLN CA . 52693 2 26 . 2 . 2 7 7 GLN CB C 13 28.901 0.028 . 1 . . 140 . . 7 GLN CB . 52693 2 27 . 2 . 2 7 7 GLN N N 15 118.943 0.004 . 1 . . 46 . . 7 GLN N . 52693 2 28 . 2 . 2 8 8 GLN H H 1 8.230 0.005 . 1 . . 21 . . 8 GLN H . 52693 2 29 . 2 . 2 8 8 GLN HA H 1 4.177 . . 1 . . 197 . . 8 GLN HA . 52693 2 30 . 2 . 2 8 8 GLN C C 13 177.668 0.001 . 1 . . 198 . . 8 GLN C . 52693 2 31 . 2 . 2 8 8 GLN CA C 13 57.395 0.083 . 1 . . 115 . . 8 GLN CA . 52693 2 32 . 2 . 2 8 8 GLN CB C 13 28.844 0.018 . 1 . . 116 . . 8 GLN CB . 52693 2 33 . 2 . 2 8 8 GLN N N 15 120.184 0.019 . 1 . . 22 . . 8 GLN N . 52693 2 34 . 2 . 2 9 9 LEU H H 1 8.158 0.003 . 1 . . 25 . . 9 LEU H . 52693 2 35 . 2 . 2 9 9 LEU HA H 1 4.239 0.019 . 1 . . 120 . . 9 LEU HA . 52693 2 36 . 2 . 2 9 9 LEU C C 13 178.358 0.0 . 1 . . 119 . . 9 LEU C . 52693 2 37 . 2 . 2 9 9 LEU CA C 13 56.583 0.008 . 1 . . 118 . . 9 LEU CA . 52693 2 38 . 2 . 2 9 9 LEU CB C 13 40.932 0.014 . 1 . . 117 . . 9 LEU CB . 52693 2 39 . 2 . 2 9 9 LEU N N 15 122.149 0.015 . 1 . . 26 . . 9 LEU N . 52693 2 40 . 2 . 2 10 10 TRP H H 1 8.085 0.002 . 1 . . 29 . . 10 TRP H . 52693 2 41 . 2 . 2 10 10 TRP HA H 1 4.611 . . 1 . . 199 . . 10 TRP HA . 52693 2 42 . 2 . 2 10 10 TRP C C 13 177.611 0.006 . 1 . . 200 . . 10 TRP C . 52693 2 43 . 2 . 2 10 10 TRP CA C 13 58.675 0.027 . 1 . . 121 . . 10 TRP CA . 52693 2 44 . 2 . 2 10 10 TRP CB C 13 29.276 0.011 . 1 . . 122 . . 10 TRP CB . 52693 2 45 . 2 . 2 10 10 TRP N N 15 121.054 0.034 . 1 . . 30 . . 10 TRP N . 52693 2 46 . 2 . 2 11 11 GLU H H 1 8.259 0.004 . 1 . . 59 . . 11 GLU H . 52693 2 47 . 2 . 2 11 11 GLU HA H 1 3.978 . . 1 . . 201 . . 11 GLU HA . 52693 2 48 . 2 . 2 11 11 GLU C C 13 177.754 0.026 . 1 . . 156 . . 11 GLU C . 52693 2 49 . 2 . 2 11 11 GLU CA C 13 58.105 0.039 . 1 . . 154 . . 11 GLU CA . 52693 2 50 . 2 . 2 11 11 GLU CB C 13 29.708 0.016 . 1 . . 155 . . 11 GLU CB . 52693 2 51 . 2 . 2 11 11 GLU N N 15 120.469 0.027 . 1 . . 60 . . 11 GLU N . 52693 2 52 . 2 . 2 12 12 ALA H H 1 8.042 0.004 . 1 . . 11 . . 12 ALA H . 52693 2 53 . 2 . 2 12 12 ALA HA H 1 4.129 . . 1 . . 102 . . 12 ALA HA . 52693 2 54 . 2 . 2 12 12 ALA C C 13 179.756 0.005 . 1 . . 98 . . 12 ALA C . 52693 2 55 . 2 . 2 12 12 ALA CA C 13 54.269 0.025 . 1 . . 96 . . 12 ALA CA . 52693 2 56 . 2 . 2 12 12 ALA CB C 13 18.564 0.043 . 1 . . 97 . . 12 ALA CB . 52693 2 57 . 2 . 2 12 12 ALA N N 15 122.482 0.046 . 1 . . 12 . . 12 ALA N . 52693 2 58 . 2 . 2 13 13 GLU H H 1 8.213 0.004 . 1 . . 71 . . 13 GLU H . 52693 2 59 . 2 . 2 13 13 GLU HA H 1 4.101 . . 1 . . 167 . . 13 GLU HA . 52693 2 60 . 2 . 2 13 13 GLU C C 13 178.037 0.005 . 1 . . 101 . . 13 GLU C . 52693 2 61 . 2 . 2 13 13 GLU CA C 13 58.146 0.052 . 1 . . 99 . . 13 GLU CA . 52693 2 62 . 2 . 2 13 13 GLU CB C 13 29.695 0.013 . 1 . . 100 . . 13 GLU CB . 52693 2 63 . 2 . 2 13 13 GLU N N 15 119.205 0.032 . 1 . . 72 . . 13 GLU N . 52693 2 64 . 2 . 2 14 14 LYS H H 1 7.953 0.005 . 1 . . 33 . . 14 LYS H . 52693 2 65 . 2 . 2 14 14 LYS HA H 1 4.000 . . 1 . . 202 . . 14 LYS HA . 52693 2 66 . 2 . 2 14 14 LYS C C 13 178.467 0.01 . 1 . . 125 . . 14 LYS C . 52693 2 67 . 2 . 2 14 14 LYS CA C 13 58.446 0.059 . 1 . . 123 . . 14 LYS CA . 52693 2 68 . 2 . 2 14 14 LYS CB C 13 32.167 0.084 . 1 . . 124 . . 14 LYS CB . 52693 2 69 . 2 . 2 14 14 LYS N N 15 120.507 0.018 . 1 . . 34 . . 14 LYS N . 52693 2 70 . 2 . 2 15 15 VAL H H 1 7.803 0.004 . 1 . . 41 . . 15 VAL H . 52693 2 71 . 2 . 2 15 15 VAL HA H 1 3.788 . . 1 . . 203 . . 15 VAL HA . 52693 2 72 . 2 . 2 15 15 VAL C C 13 177.547 . . 1 . . 135 . . 15 VAL C . 52693 2 73 . 2 . 2 15 15 VAL CA C 13 64.810 0.034 . 1 . . 133 . . 15 VAL CA . 52693 2 74 . 2 . 2 15 15 VAL CB C 13 32.293 0.003 . 1 . . 134 . . 15 VAL CB . 52693 2 75 . 2 . 2 15 15 VAL N N 15 119.513 0.006 . 1 . . 42 . . 15 VAL N . 52693 2 76 . 2 . 2 16 16 LYS H H 1 7.898 0.008 . 1 . . 69 . . 16 LYS H . 52693 2 77 . 2 . 2 16 16 LYS HA H 1 4.150 . . 1 . . 204 . . 16 LYS HA . 52693 2 78 . 2 . 2 16 16 LYS C C 13 178.042 . . 1 . . 165 . . 16 LYS C . 52693 2 79 . 2 . 2 16 16 LYS CA C 13 58.206 0.021 . 1 . . 163 . . 16 LYS CA . 52693 2 80 . 2 . 2 16 16 LYS CB C 13 32.536 . . 1 . . 164 . . 16 LYS CB . 52693 2 81 . 2 . 2 16 16 LYS N N 15 121.930 0.029 . 1 . . 70 . . 16 LYS N . 52693 2 82 . 2 . 2 17 17 MET H H 1 8.167 0.002 . 1 . . 9 . . 17 MET H . 52693 2 83 . 2 . 2 17 17 MET HA H 1 4.330 . . 1 . . 205 . . 17 MET HA . 52693 2 84 . 2 . 2 17 17 MET C C 13 177.346 0.013 . 1 . . 95 . . 17 MET C . 52693 2 85 . 2 . 2 17 17 MET CA C 13 56.689 0.005 . 1 . . 93 . . 17 MET CA . 52693 2 86 . 2 . 2 17 17 MET CB C 13 32.562 . . 1 . . 94 . . 17 MET CB . 52693 2 87 . 2 . 2 17 17 MET N N 15 118.734 0.036 . 1 . . 10 . . 17 MET N . 52693 2 88 . 2 . 2 18 18 ARG H H 1 8.058 0.003 . 1 . . 61 . . 18 ARG H . 52693 2 89 . 2 . 2 18 18 ARG CA C 13 57.662 . . 1 . . 223 . . 18 ARG CA . 52693 2 90 . 2 . 2 18 18 ARG CB C 13 32.362 . . 1 . . 224 . . 18 ARG CB . 52693 2 91 . 2 . 2 18 18 ARG N N 15 120.758 0.009 . 1 . . 62 . . 18 ARG N . 52693 2 92 . 2 . 2 19 19 GLN H H 1 8.156 0.004 . 1 . . 209 . . 19 GLN H . 52693 2 93 . 2 . 2 19 19 GLN HA H 1 4.250 0.008 . 1 . . 212 . . 19 GLN HA . 52693 2 94 . 2 . 2 19 19 GLN C C 13 177.191 . . 1 . . 214 . . 19 GLN C . 52693 2 95 . 2 . 2 19 19 GLN CA C 13 57.258 0.035 . 1 . . 213 . . 19 GLN CA . 52693 2 96 . 2 . 2 19 19 GLN CB C 13 29.020 0.002 . 1 . . 211 . . 19 GLN CB . 52693 2 97 . 2 . 2 19 19 GLN N N 15 119.731 0.002 . 1 . . 210 . . 19 GLN N . 52693 2 98 . 2 . 2 20 20 ILE H H 1 8.017 0.004 . 1 . . 49 . . 20 ILE H . 52693 2 99 . 2 . 2 20 20 ILE HA H 1 3.976 0.003 . 1 . . 215 . . 20 ILE HA . 52693 2 100 . 2 . 2 20 20 ILE C C 13 177.226 0.001 . 1 . . 147 . . 20 ILE C . 52693 2 101 . 2 . 2 20 20 ILE CA C 13 62.622 0.04 . 1 . . 146 . . 20 ILE CA . 52693 2 102 . 2 . 2 20 20 ILE CB C 13 38.297 0.034 . 1 . . 145 . . 20 ILE CB . 52693 2 103 . 2 . 2 20 20 ILE N N 15 121.336 0.016 . 1 . . 50 . . 20 ILE N . 52693 2 104 . 2 . 2 21 21 LEU H H 1 8.172 0.004 . 1 . . 35 . . 21 LEU H . 52693 2 105 . 2 . 2 21 21 LEU C C 13 178.094 . . 1 . . 128 . . 21 LEU C . 52693 2 106 . 2 . 2 21 21 LEU CA C 13 56.103 0.013 . 1 . . 126 . . 21 LEU CA . 52693 2 107 . 2 . 2 21 21 LEU CB C 13 41.252 0.003 . 1 . . 127 . . 21 LEU CB . 52693 2 108 . 2 . 2 21 21 LEU N N 15 123.991 0.02 . 1 . . 36 . . 21 LEU N . 52693 2 109 . 2 . 2 22 22 ASP H H 1 8.326 0.005 . 1 . . 65 . . 22 ASP H . 52693 2 110 . 2 . 2 22 22 ASP HA H 1 4.522 . . 1 . . 216 . . 22 ASP HA . 52693 2 111 . 2 . 2 22 22 ASP C C 13 177.227 0.007 . 1 . . 162 . . 22 ASP C . 52693 2 112 . 2 . 2 22 22 ASP CA C 13 55.339 0.023 . 1 . . 160 . . 22 ASP CA . 52693 2 113 . 2 . 2 22 22 ASP CB C 13 41.152 . . 1 . . 161 . . 22 ASP CB . 52693 2 114 . 2 . 2 22 22 ASP N N 15 120.617 0.013 . 1 . . 66 . . 22 ASP N . 52693 2 115 . 2 . 2 23 23 LYS H H 1 8.073 0.003 . 1 . . 206 . . 23 LYS H . 52693 2 116 . 2 . 2 23 23 LYS HA H 1 4.195 0.004 . 1 . . 219 . . 23 LYS HA . 52693 2 117 . 2 . 2 23 23 LYS C C 13 177.514 0.016 . 1 . . 208 . . 23 LYS C . 52693 2 118 . 2 . 2 23 23 LYS CA C 13 57.575 0.048 . 1 . . 217 . . 23 LYS CA . 52693 2 119 . 2 . 2 23 23 LYS CB C 13 32.307 0.007 . 1 . . 218 . . 23 LYS CB . 52693 2 120 . 2 . 2 23 23 LYS N N 15 120.500 0.005 . 1 . . 207 . . 23 LYS N . 52693 2 121 . 2 . 2 24 24 GLN H H 1 8.235 0.004 . 1 . . 51 . . 24 GLN H . 52693 2 122 . 2 . 2 24 24 GLN C C 13 176.818 . . 1 . . 173 . . 24 GLN C . 52693 2 123 . 2 . 2 24 24 GLN CA C 13 56.838 0.004 . 1 . . 174 . . 24 GLN CA . 52693 2 124 . 2 . 2 24 24 GLN CB C 13 28.977 . . 1 . . 175 . . 24 GLN CB . 52693 2 125 . 2 . 2 24 24 GLN N N 15 119.520 0.016 . 1 . . 52 . . 24 GLN N . 52693 2 126 . 2 . 2 28 28 MET H H 1 8.338 0.001 . 1 . . 31 . . 28 MET H . 52693 2 127 . 2 . 2 28 28 MET C C 13 176.406 . . 1 . . 221 . . 28 MET C . 52693 2 128 . 2 . 2 28 28 MET CA C 13 55.881 0.017 . 1 . . 222 . . 28 MET CA . 52693 2 129 . 2 . 2 28 28 MET CB C 13 32.867 . . 1 . . 220 . . 28 MET CB . 52693 2 130 . 2 . 2 28 28 MET N N 15 121.356 0.008 . 1 . . 32 . . 28 MET N . 52693 2 131 . 2 . 2 29 29 VAL H H 1 8.064 0.005 . 1 . . 55 . . 29 VAL H . 52693 2 132 . 2 . 2 29 29 VAL HA H 1 4.064 0.004 . 1 . . 176 . . 29 VAL HA . 52693 2 133 . 2 . 2 29 29 VAL C C 13 176.409 0.018 . 1 . . 172 . . 29 VAL C . 52693 2 134 . 2 . 2 29 29 VAL CA C 13 62.734 0.025 . 1 . . 150 . . 29 VAL CA . 52693 2 135 . 2 . 2 29 29 VAL CB C 13 32.736 0.069 . 1 . . 151 . . 29 VAL CB . 52693 2 136 . 2 . 2 29 29 VAL N N 15 120.556 0.006 . 1 . . 56 . . 29 VAL N . 52693 2 137 . 2 . 2 30 30 GLU H H 1 8.437 0.003 . 1 . . 13 . . 30 GLU H . 52693 2 138 . 2 . 2 30 30 GLU HA H 1 4.193 0.006 . 1 . . 187 . . 30 GLU HA . 52693 2 139 . 2 . 2 30 30 GLU C C 13 176.288 0.003 . 1 . . 105 . . 30 GLU C . 52693 2 140 . 2 . 2 30 30 GLU CA C 13 57.057 0.04 . 1 . . 103 . . 30 GLU CA . 52693 2 141 . 2 . 2 30 30 GLU CB C 13 30.322 0.04 . 1 . . 104 . . 30 GLU CB . 52693 2 142 . 2 . 2 30 30 GLU N N 15 123.731 0.003 . 1 . . 14 . . 30 GLU N . 52693 2 143 . 2 . 2 31 31 ASP H H 1 8.275 0.003 . 1 . . 37 . . 31 ASP H . 52693 2 144 . 2 . 2 31 31 ASP HA H 1 4.523 0.001 . 1 . . 186 . . 31 ASP HA . 52693 2 145 . 2 . 2 31 31 ASP C C 13 176.323 0.005 . 1 . . 131 . . 31 ASP C . 52693 2 146 . 2 . 2 31 31 ASP CA C 13 54.522 0.018 . 1 . . 129 . . 31 ASP CA . 52693 2 147 . 2 . 2 31 31 ASP CB C 13 41.191 0.066 . 1 . . 130 . . 31 ASP CB . 52693 2 148 . 2 . 2 31 31 ASP N N 15 120.917 0.013 . 1 . . 38 . . 31 ASP N . 52693 2 149 . 2 . 2 32 32 TYR H H 1 8.042 0.003 . 1 . . 57 . . 32 TYR H . 52693 2 150 . 2 . 2 32 32 TYR HA H 1 4.299 0.0 . 1 . . 185 . . 32 TYR HA . 52693 2 151 . 2 . 2 32 32 TYR C C 13 176.364 0.005 . 1 . . 171 . . 32 TYR C . 52693 2 152 . 2 . 2 32 32 TYR CA C 13 58.421 0.041 . 1 . . 152 . . 32 TYR CA . 52693 2 153 . 2 . 2 32 32 TYR CB C 13 38.108 0.035 . 1 . . 153 . . 32 TYR CB . 52693 2 154 . 2 . 2 32 32 TYR N N 15 120.344 0.006 . 1 . . 58 . . 32 TYR N . 52693 2 155 . 2 . 2 33 33 GLN H H 1 8.178 0.005 . 1 . . 1 . . 33 GLN H . 52693 2 156 . 2 . 2 33 33 GLN HA H 1 4.090 0.003 . 1 . . 184 . . 33 GLN HA . 52693 2 157 . 2 . 2 33 33 GLN C C 13 176.019 0.008 . 1 . . 85 . . 33 GLN C . 52693 2 158 . 2 . 2 33 33 GLN CA C 13 56.810 0.027 . 1 . . 83 . . 33 GLN CA . 52693 2 159 . 2 . 2 33 33 GLN CB C 13 28.881 0.02 . 1 . . 84 . . 33 GLN CB . 52693 2 160 . 2 . 2 33 33 GLN N N 15 121.206 0.03 . 1 . . 2 . . 33 GLN N . 52693 2 161 . 2 . 2 34 34 TRP H H 1 7.808 0.003 . 1 . . 43 . . 34 TRP H . 52693 2 162 . 2 . 2 34 34 TRP HA H 1 4.583 0.001 . 1 . . 183 . . 34 TRP HA . 52693 2 163 . 2 . 2 34 34 TRP C C 13 176.340 0.006 . 1 . . 136 . . 34 TRP C . 52693 2 164 . 2 . 2 34 34 TRP CA C 13 57.565 0.022 . 1 . . 138 . . 34 TRP CA . 52693 2 165 . 2 . 2 34 34 TRP CB C 13 29.063 0.072 . 1 . . 137 . . 34 TRP CB . 52693 2 166 . 2 . 2 34 34 TRP N N 15 120.378 0.013 . 1 . . 44 . . 34 TRP N . 52693 2 167 . 2 . 2 35 35 LEU H H 1 7.800 0.003 . 1 . . 19 . . 35 LEU H . 52693 2 168 . 2 . 2 35 35 LEU HA H 1 4.209 0.019 . 1 . . 181 . . 35 LEU HA . 52693 2 169 . 2 . 2 35 35 LEU C C 13 177.227 . . 1 . . 114 . . 35 LEU C . 52693 2 170 . 2 . 2 35 35 LEU CA C 13 55.329 0.043 . 1 . . 113 . . 35 LEU CA . 52693 2 171 . 2 . 2 35 35 LEU CB C 13 41.443 0.007 . 1 . . 112 . . 35 LEU CB . 52693 2 172 . 2 . 2 35 35 LEU N N 15 122.539 0.005 . 1 . . 20 . . 35 LEU N . 52693 2 173 . 2 . 2 36 36 ARG H H 1 8.073 0.004 . 1 . . 15 . . 36 ARG H . 52693 2 174 . 2 . 2 36 36 ARG HA H 1 4.228 0.001 . 1 . . 182 . . 36 ARG HA . 52693 2 175 . 2 . 2 36 36 ARG C C 13 176.447 0.015 . 1 . . 108 . . 36 ARG C . 52693 2 176 . 2 . 2 36 36 ARG CA C 13 56.129 0.039 . 1 . . 106 . . 36 ARG CA . 52693 2 177 . 2 . 2 36 36 ARG CB C 13 30.287 0.0 . 1 . . 107 . . 36 ARG CB . 52693 2 178 . 2 . 2 36 36 ARG N N 15 121.234 0.014 . 1 . . 16 . . 36 ARG N . 52693 2 179 . 2 . 2 37 37 GLN H H 1 8.360 0.005 . 1 . . 17 . . 37 GLN H . 52693 2 180 . 2 . 2 37 37 GLN HA H 1 4.278 0.005 . 1 . . 180 . . 37 GLN HA . 52693 2 181 . 2 . 2 37 37 GLN C C 13 176.103 0.006 . 1 . . 111 . . 37 GLN C . 52693 2 182 . 2 . 2 37 37 GLN CA C 13 56.109 0.046 . 1 . . 109 . . 37 GLN CA . 52693 2 183 . 2 . 2 37 37 GLN CB C 13 29.419 0.02 . 1 . . 110 . . 37 GLN CB . 52693 2 184 . 2 . 2 37 37 GLN N N 15 121.661 0.007 . 1 . . 18 . . 37 GLN N . 52693 2 185 . 2 . 2 38 38 GLU H H 1 8.521 0.004 . 1 . . 5 . . 38 GLU H . 52693 2 186 . 2 . 2 38 38 GLU HA H 1 4.255 0.013 . 1 . . 179 . . 38 GLU HA . 52693 2 187 . 2 . 2 38 38 GLU C C 13 176.541 0.006 . 1 . . 88 . . 38 GLU C . 52693 2 188 . 2 . 2 38 38 GLU CA C 13 56.717 0.044 . 1 . . 86 . . 38 GLU CA . 52693 2 189 . 2 . 2 38 38 GLU CB C 13 30.286 0.055 . 1 . . 87 . . 38 GLU CB . 52693 2 190 . 2 . 2 38 38 GLU N N 15 121.973 0.01 . 1 . . 6 . . 38 GLU N . 52693 2 191 . 2 . 2 39 39 GLU H H 1 8.433 0.003 . 1 . . 47 . . 39 GLU H . 52693 2 192 . 2 . 2 39 39 GLU HA H 1 4.271 0.014 . 1 . . 178 . . 39 GLU HA . 52693 2 193 . 2 . 2 39 39 GLU C C 13 176.361 0.009 . 1 . . 144 . . 39 GLU C . 52693 2 194 . 2 . 2 39 39 GLU CA C 13 56.567 0.055 . 1 . . 143 . . 39 GLU CA . 52693 2 195 . 2 . 2 39 39 GLU CB C 13 30.358 0.085 . 1 . . 142 . . 39 GLU CB . 52693 2 196 . 2 . 2 39 39 GLU N N 15 122.322 0.025 . 1 . . 48 . . 39 GLU N . 52693 2 197 . 2 . 2 40 40 LYS H H 1 8.320 0.004 . 1 . . 7 . . 40 LYS H . 52693 2 198 . 2 . 2 40 40 LYS HA H 1 4.349 0.002 . 1 . . 92 . . 40 LYS HA . 52693 2 199 . 2 . 2 40 40 LYS C C 13 176.405 0.005 . 1 . . 91 . . 40 LYS C . 52693 2 200 . 2 . 2 40 40 LYS CA C 13 56.129 0.031 . 1 . . 90 . . 40 LYS CA . 52693 2 201 . 2 . 2 40 40 LYS CB C 13 33.243 0.023 . 1 . . 89 . . 40 LYS CB . 52693 2 202 . 2 . 2 40 40 LYS N N 15 122.754 0.016 . 1 . . 8 . . 40 LYS N . 52693 2 203 . 2 . 2 41 41 SER H H 1 8.425 0.005 . 1 . . 3 . . 41 SER H . 52693 2 204 . 2 . 2 41 41 SER HA H 1 4.444 0.001 . 1 . . 177 . . 41 SER HA . 52693 2 205 . 2 . 2 41 41 SER C C 13 174.558 0.018 . 1 . . 170 . . 41 SER C . 52693 2 206 . 2 . 2 41 41 SER CA C 13 58.232 0.032 . 1 . . 168 . . 41 SER CA . 52693 2 207 . 2 . 2 41 41 SER CB C 13 63.820 0.048 . 1 . . 169 . . 41 SER CB . 52693 2 208 . 2 . 2 41 41 SER N N 15 117.799 0.024 . 1 . . 4 . . 41 SER N . 52693 2 209 . 2 . 2 42 42 LEU H H 1 8.450 0.007 . 1 . . 73 . . 42 LEU H . 52693 2 210 . 2 . 2 42 42 LEU HA H 1 4.401 0.005 . 1 . . 82 . . 42 LEU HA . 52693 2 211 . 2 . 2 42 42 LEU C C 13 176.412 0.011 . 1 . . 77 . . 42 LEU C . 52693 2 212 . 2 . 2 42 42 LEU CA C 13 55.051 0.019 . 1 . . 80 . . 42 LEU CA . 52693 2 213 . 2 . 2 42 42 LEU CB C 13 41.385 . . 1 . . 81 . . 42 LEU CB . 52693 2 214 . 2 . 2 42 42 LEU N N 15 125.068 0.029 . 1 . . 74 . . 42 LEU N . 52693 2 215 . 2 . 2 43 43 ASP H H 1 7.907 0.004 . 1 . . 23 . . 43 ASP H . 52693 2 216 . 2 . 2 43 43 ASP HA H 1 4.355 0.002 . 1 . . 79 . . 43 ASP HA . 52693 2 217 . 2 . 2 43 43 ASP C C 13 173.963 . . 1 . . 78 . . 43 ASP C . 52693 2 218 . 2 . 2 43 43 ASP CA C 13 55.925 0.011 . 1 . . 75 . . 43 ASP CA . 52693 2 219 . 2 . 2 43 43 ASP CB C 13 42.365 . . 1 . . 76 . . 43 ASP CB . 52693 2 220 . 2 . 2 43 43 ASP N N 15 126.120 0.02 . 1 . . 24 . . 43 ASP N . 52693 2 stop_ save_