################################### # 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 50842 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chemlist_miz1_1012 _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-13C HSQC' . . . 50842 1 2 '2D 1H-15N HSQC' . . . 50842 1 3 '3D CBCACONH' . . . 50842 1 4 '3D HNCO' . . . 50842 1 5 '3D HNCACB' . . . 50842 1 6 '3D H(CCO)NH' . . . 50842 1 7 '3D HCCH-TOCSY' . . . 50842 1 8 '3D 1H-15N TOCSY' . . . 50842 1 9 '3D 1H-15N NOESY' . . . 50842 1 10 '3D 1H-13C NOESY aliphatic' . . . 50842 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 3 $software_3 . . 50842 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 C C 13 172.026 0.0 . 1 . . 544 . . 1 MET C . 50842 1 2 . 1 . 1 1 1 MET CA C 13 55.026 0.017 . 1 . . 683 . . 1 MET CA . 50842 1 3 . 1 . 1 1 1 MET CB C 13 32.836 0.001 . 1 . . 684 . . 1 MET CB . 50842 1 4 . 1 . 1 1 1 MET CG C 13 30.757 0.001 . 1 . . 685 . . 1 MET CG . 50842 1 5 . 1 . 1 2 2 LYS H H 1 8.627 0.009 . 1 . . 547 . . 2 LYS H . 50842 1 6 . 1 . 1 2 2 LYS HA H 1 4.689 0.011 . 1 . . 548 . . 2 LYS HA . 50842 1 7 . 1 . 1 2 2 LYS HB2 H 1 2.128 . . 1 . . 549 . . 2 LYS HB2 . 50842 1 8 . 1 . 1 2 2 LYS HB3 H 1 2.128 . . 1 . . 550 . . 2 LYS HB3 . 50842 1 9 . 1 . 1 2 2 LYS HG2 H 1 1.534 0.013 . 1 . . 539 . . 2 LYS HG2 . 50842 1 10 . 1 . 1 2 2 LYS HG3 H 1 1.534 0.013 . 1 . . 538 . . 2 LYS HG3 . 50842 1 11 . 1 . 1 2 2 LYS HE2 H 1 3.196 . . 1 . . 543 . . 2 LYS HE2 . 50842 1 12 . 1 . 1 2 2 LYS CA C 13 54.459 0.005 . 1 . . 546 . . 2 LYS CA . 50842 1 13 . 1 . 1 2 2 LYS CB C 13 32.875 0.016 . 1 . . 545 . . 2 LYS CB . 50842 1 14 . 1 . 1 2 2 LYS N N 15 125.107 0.038 . 1 . . 542 . . 2 LYS N . 50842 1 15 . 1 . 1 3 3 PRO C C 13 176.039 . . 1 . . 602 . . 3 PRO C . 50842 1 16 . 1 . 1 3 3 PRO CA C 13 63.251 0.024 . 1 . . 638 . . 3 PRO CA . 50842 1 17 . 1 . 1 3 3 PRO CB C 13 32.277 0.024 . 1 . . 637 . . 3 PRO CB . 50842 1 18 . 1 . 1 3 3 PRO CG C 13 26.806 . . 1 . . 639 . . 3 PRO CG . 50842 1 19 . 1 . 1 3 3 PRO CD C 13 50.637 0.015 . 1 . . 636 . . 3 PRO CD . 50842 1 20 . 1 . 1 4 4 TYR H H 1 8.066 0.007 . 1 . . 604 . . 4 TYR H . 50842 1 21 . 1 . 1 4 4 TYR HA H 1 4.560 0.004 . 1 . . 601 . . 4 TYR HA . 50842 1 22 . 1 . 1 4 4 TYR HB2 H 1 2.906 0.019 . 1 . . 562 . . 4 TYR HB2 . 50842 1 23 . 1 . 1 4 4 TYR HB3 H 1 2.906 0.019 . 1 . . 603 . . 4 TYR HB3 . 50842 1 24 . 1 . 1 4 4 TYR HD1 H 1 6.958 0.012 . 1 . . 835 . . 4 TYR HD1 . 50842 1 25 . 1 . 1 4 4 TYR HD2 H 1 6.958 0.012 . 1 . . 835 . . 4 TYR HD2 . 50842 1 26 . 1 . 1 4 4 TYR C C 13 174.687 0.003 . 1 . . 630 . . 4 TYR C . 50842 1 27 . 1 . 1 4 4 TYR CA C 13 57.938 0.039 . 1 . . 605 . . 4 TYR CA . 50842 1 28 . 1 . 1 4 4 TYR CB C 13 38.692 0.056 . 1 . . 561 . . 4 TYR CB . 50842 1 29 . 1 . 1 4 4 TYR N N 15 119.262 0.052 . 1 . . 600 . . 4 TYR N . 50842 1 30 . 1 . 1 5 5 VAL H H 1 8.501 0.01 . 1 . . 634 . . 5 VAL H . 50842 1 31 . 1 . 1 5 5 VAL HA H 1 4.739 0.015 . 1 . . 628 . . 5 VAL HA . 50842 1 32 . 1 . 1 5 5 VAL HB H 1 1.763 0.008 . 1 . . 635 . . 5 VAL HB . 50842 1 33 . 1 . 1 5 5 VAL HG11 H 1 0.723 0.015 . 2 . . 632 . . 5 VAL HG11 . 50842 1 34 . 1 . 1 5 5 VAL HG12 H 1 0.723 0.015 . 2 . . 632 . . 5 VAL HG12 . 50842 1 35 . 1 . 1 5 5 VAL HG13 H 1 0.723 0.015 . 2 . . 632 . . 5 VAL HG13 . 50842 1 36 . 1 . 1 5 5 VAL HG21 H 1 0.723 0.014 . 2 . . 528 . . 5 VAL HG21 . 50842 1 37 . 1 . 1 5 5 VAL HG22 H 1 0.723 0.014 . 2 . . 528 . . 5 VAL HG22 . 50842 1 38 . 1 . 1 5 5 VAL HG23 H 1 0.723 0.014 . 2 . . 528 . . 5 VAL HG23 . 50842 1 39 . 1 . 1 5 5 VAL C C 13 174.458 0.004 . 1 . . 754 . . 5 VAL C . 50842 1 40 . 1 . 1 5 5 VAL CA C 13 60.380 0.036 . 1 . . 629 . . 5 VAL CA . 50842 1 41 . 1 . 1 5 5 VAL CB C 13 35.032 0.024 . 1 . . 633 . . 5 VAL CB . 50842 1 42 . 1 . 1 5 5 VAL CG1 C 13 21.347 0.157 . 2 . . 631 . . 5 VAL CG1 . 50842 1 43 . 1 . 1 5 5 VAL CG2 C 13 20.083 0.034 . 2 . . 540 . . 5 VAL CG2 . 50842 1 44 . 1 . 1 5 5 VAL N N 15 123.393 0.035 . 1 . . 627 . . 5 VAL N . 50842 1 45 . 1 . 1 6 6 CYS H H 1 9.043 0.007 . 1 . . 742 . . 6 CYS H . 50842 1 46 . 1 . 1 6 6 CYS HA H 1 4.520 0.005 . 1 . . 753 . . 6 CYS HA . 50842 1 47 . 1 . 1 6 6 CYS HB2 H 1 2.772 0.009 . 2 . . 755 . . 6 CYS HB2 . 50842 1 48 . 1 . 1 6 6 CYS HB3 H 1 3.312 0.013 . 2 . . 722 . . 6 CYS HB3 . 50842 1 49 . 1 . 1 6 6 CYS C C 13 177.241 . . 1 . . 688 . . 6 CYS C . 50842 1 50 . 1 . 1 6 6 CYS CA C 13 59.421 0.052 . 1 . . 720 . . 6 CYS CA . 50842 1 51 . 1 . 1 6 6 CYS CB C 13 29.665 0.052 . 1 . . 721 . . 6 CYS CB . 50842 1 52 . 1 . 1 6 6 CYS N N 15 128.483 0.046 . 1 . . 752 . . 6 CYS N . 50842 1 53 . 1 . 1 7 7 GLU H H 1 9.471 0.01 . 1 . . 694 . . 7 GLU H . 50842 1 54 . 1 . 1 7 7 GLU HA H 1 4.151 0.022 . 1 . . 687 . . 7 GLU HA . 50842 1 55 . 1 . 1 7 7 GLU HB2 H 1 2.118 0.014 . 1 . . 692 . . 7 GLU HB2 . 50842 1 56 . 1 . 1 7 7 GLU HB3 H 1 2.063 0.015 . 1 . . 690 . . 7 GLU HB3 . 50842 1 57 . 1 . 1 7 7 GLU HG2 H 1 2.286 0.022 . 1 . . 689 . . 7 GLU HG2 . 50842 1 58 . 1 . 1 7 7 GLU HG3 H 1 2.286 0.022 . 1 . . 696 . . 7 GLU HG3 . 50842 1 59 . 1 . 1 7 7 GLU C C 13 176.592 0.003 . 1 . . 726 . . 7 GLU C . 50842 1 60 . 1 . 1 7 7 GLU CA C 13 58.387 0.184 . 1 . . 693 . . 7 GLU CA . 50842 1 61 . 1 . 1 7 7 GLU CB C 13 29.399 0.046 . 1 . . 691 . . 7 GLU CB . 50842 1 62 . 1 . 1 7 7 GLU CG C 13 35.956 0.054 . 1 . . 695 . . 7 GLU CG . 50842 1 63 . 1 . 1 7 7 GLU N N 15 132.248 0.08 . 1 . . 686 . . 7 GLU N . 50842 1 64 . 1 . 1 8 8 ARG H H 1 8.773 0.005 . 1 . . 734 . . 8 ARG H . 50842 1 65 . 1 . 1 8 8 ARG HA H 1 4.228 0.012 . 1 . . 725 . . 8 ARG HA . 50842 1 66 . 1 . 1 8 8 ARG HB2 H 1 1.392 0.007 . 1 . . 731 . . 8 ARG HB2 . 50842 1 67 . 1 . 1 8 8 ARG HB3 H 1 1.392 0.007 . 1 . . 728 . . 8 ARG HB3 . 50842 1 68 . 1 . 1 8 8 ARG HG2 H 1 0.641 0.013 . 1 . . 735 . . 8 ARG HG2 . 50842 1 69 . 1 . 1 8 8 ARG HG3 H 1 0.641 0.013 . 1 . . 736 . . 8 ARG HG3 . 50842 1 70 . 1 . 1 8 8 ARG HD2 H 1 3.069 0.012 . 1 . . 733 . . 8 ARG HD2 . 50842 1 71 . 1 . 1 8 8 ARG HD3 H 1 3.069 0.012 . 1 . . 730 . . 8 ARG HD3 . 50842 1 72 . 1 . 1 8 8 ARG C C 13 177.363 . . 1 . . 708 . . 8 ARG C . 50842 1 73 . 1 . 1 8 8 ARG CA C 13 57.841 0.055 . 1 . . 732 . . 8 ARG CA . 50842 1 74 . 1 . 1 8 8 ARG CB C 13 30.364 0.032 . 1 . . 729 . . 8 ARG CB . 50842 1 75 . 1 . 1 8 8 ARG CG C 13 26.474 0.053 . 1 . . 727 . . 8 ARG CG . 50842 1 76 . 1 . 1 8 8 ARG CD C 13 42.896 0.01 . 1 . . 723 . . 8 ARG CD . 50842 1 77 . 1 . 1 8 8 ARG N N 15 119.930 0.047 . 1 . . 724 . . 8 ARG N . 50842 1 78 . 1 . 1 9 9 CYS H H 1 8.158 0.012 . 1 . . 710 . . 9 CYS H . 50842 1 79 . 1 . 1 9 9 CYS HA H 1 5.136 0.005 . 1 . . 707 . . 9 CYS HA . 50842 1 80 . 1 . 1 9 9 CYS HB2 H 1 2.828 0.011 . 2 . . 709 . . 9 CYS HB2 . 50842 1 81 . 1 . 1 9 9 CYS HB3 H 1 3.389 0.011 . 2 . . 713 . . 9 CYS HB3 . 50842 1 82 . 1 . 1 9 9 CYS C C 13 176.222 0.003 . 1 . . 715 . . 9 CYS C . 50842 1 83 . 1 . 1 9 9 CYS CA C 13 58.479 0.037 . 1 . . 711 . . 9 CYS CA . 50842 1 84 . 1 . 1 9 9 CYS CB C 13 32.585 0.059 . 1 . . 712 . . 9 CYS CB . 50842 1 85 . 1 . 1 9 9 CYS N N 15 115.311 0.052 . 1 . . 706 . . 9 CYS N . 50842 1 86 . 1 . 1 10 10 GLY H H 1 8.330 0.01 . 1 . . 774 . . 10 GLY H . 50842 1 87 . 1 . 1 10 10 GLY HA2 H 1 3.657 0.012 . 2 . . 716 . . 10 GLY HA2 . 50842 1 88 . 1 . 1 10 10 GLY HA3 H 1 4.151 0.01 . 2 . . 717 . . 10 GLY HA3 . 50842 1 89 . 1 . 1 10 10 GLY C C 13 173.685 0.005 . 1 . . 740 . . 10 GLY C . 50842 1 90 . 1 . 1 10 10 GLY CA C 13 45.935 0.132 . 1 . . 718 . . 10 GLY CA . 50842 1 91 . 1 . 1 10 10 GLY N N 15 113.680 0.038 . 1 . . 714 . . 10 GLY N . 50842 1 92 . 1 . 1 11 11 LYS H H 1 7.995 0.009 . 1 . . 699 . . 11 LYS H . 50842 1 93 . 1 . 1 11 11 LYS HA H 1 3.881 0.007 . 1 . . 739 . . 11 LYS HA . 50842 1 94 . 1 . 1 11 11 LYS HB2 H 1 1.396 0.012 . 1 . . 697 . . 11 LYS HB2 . 50842 1 95 . 1 . 1 11 11 LYS HB3 H 1 1.396 0.012 . 1 . . 698 . . 11 LYS HB3 . 50842 1 96 . 1 . 1 11 11 LYS HG2 H 1 1.116 0.013 . 1 . . 703 . . 11 LYS HG2 . 50842 1 97 . 1 . 1 11 11 LYS HG3 H 1 1.116 0.013 . 1 . . 705 . . 11 LYS HG3 . 50842 1 98 . 1 . 1 11 11 LYS HE2 H 1 2.862 0.032 . 1 . . 702 . . 11 LYS HE2 . 50842 1 99 . 1 . 1 11 11 LYS HE3 H 1 2.868 0.029 . 1 . . 704 . . 11 LYS HE3 . 50842 1 100 . 1 . 1 11 11 LYS C C 13 173.943 0.002 . 1 . . 661 . . 11 LYS C . 50842 1 101 . 1 . 1 11 11 LYS CA C 13 58.227 0.05 . 1 . . 701 . . 11 LYS CA . 50842 1 102 . 1 . 1 11 11 LYS CB C 13 33.664 0.059 . 1 . . 700 . . 11 LYS CB . 50842 1 103 . 1 . 1 11 11 LYS CG C 13 26.222 0.009 . 1 . . 741 . . 11 LYS CG . 50842 1 104 . 1 . 1 11 11 LYS CD C 13 29.448 0.012 . 1 . . 738 . . 11 LYS CD . 50842 1 105 . 1 . 1 11 11 LYS N N 15 123.441 0.065 . 1 . . 737 . . 11 LYS N . 50842 1 106 . 1 . 1 12 12 ARG H H 1 7.681 0.004 . 1 . . 663 . . 12 ARG H . 50842 1 107 . 1 . 1 12 12 ARG HA H 1 5.091 0.007 . 1 . . 660 . . 12 ARG HA . 50842 1 108 . 1 . 1 12 12 ARG HB2 H 1 1.484 0.02 . 1 . . 664 . . 12 ARG HB2 . 50842 1 109 . 1 . 1 12 12 ARG HB3 H 1 1.484 0.02 . 1 . . 662 . . 12 ARG HB3 . 50842 1 110 . 1 . 1 12 12 ARG C C 13 175.508 . . 1 . . 641 . . 12 ARG C . 50842 1 111 . 1 . 1 12 12 ARG CA C 13 54.544 0.053 . 1 . . 665 . . 12 ARG CA . 50842 1 112 . 1 . 1 12 12 ARG CB C 13 33.480 0.027 . 1 . . 666 . . 12 ARG CB . 50842 1 113 . 1 . 1 12 12 ARG CG C 13 28.332 0.0 . 1 . . 667 . . 12 ARG CG . 50842 1 114 . 1 . 1 12 12 ARG CD C 13 43.476 0.007 . 1 . . 658 . . 12 ARG CD . 50842 1 115 . 1 . 1 12 12 ARG N N 15 119.873 0.066 . 1 . . 659 . . 12 ARG N . 50842 1 116 . 1 . 1 13 13 PHE H H 1 8.892 0.006 . 1 . . 743 . . 13 PHE H . 50842 1 117 . 1 . 1 13 13 PHE HA H 1 4.758 0.009 . 1 . . 675 . . 13 PHE HA . 50842 1 118 . 1 . 1 13 13 PHE HB2 H 1 2.517 0.016 . 2 . . 644 . . 13 PHE HB2 . 50842 1 119 . 1 . 1 13 13 PHE HB3 H 1 3.425 0.008 . 2 . . 645 . . 13 PHE HB3 . 50842 1 120 . 1 . 1 13 13 PHE HD1 H 1 7.019 0.018 . 1 . . 836 . . 13 PHE HD1 . 50842 1 121 . 1 . 1 13 13 PHE HD2 H 1 7.019 0.018 . 1 . . 836 . . 13 PHE HD2 . 50842 1 122 . 1 . 1 13 13 PHE HE1 H 1 7.027 . . 1 . . 837 . . 13 PHE HE1 . 50842 1 123 . 1 . 1 13 13 PHE HE2 H 1 7.027 . . 1 . . 837 . . 13 PHE HE2 . 50842 1 124 . 1 . 1 13 13 PHE C C 13 175.232 0.0 . 1 . . 584 . . 13 PHE C . 50842 1 125 . 1 . 1 13 13 PHE CA C 13 56.897 0.074 . 1 . . 642 . . 13 PHE CA . 50842 1 126 . 1 . 1 13 13 PHE CB C 13 43.469 0.026 . 1 . . 643 . . 13 PHE CB . 50842 1 127 . 1 . 1 13 13 PHE N N 15 117.956 0.107 . 1 . . 674 . . 13 PHE N . 50842 1 128 . 1 . 1 14 14 VAL H H 1 8.681 0.006 . 1 . . 587 . . 14 VAL H . 50842 1 129 . 1 . 1 14 14 VAL HA H 1 4.224 0.005 . 1 . . 624 . . 14 VAL HA . 50842 1 130 . 1 . 1 14 14 VAL HB H 1 2.260 0.014 . 1 . . 590 . . 14 VAL HB . 50842 1 131 . 1 . 1 14 14 VAL HG11 H 1 1.064 0.008 . 2 . . 583 . . 14 VAL HG11 . 50842 1 132 . 1 . 1 14 14 VAL HG12 H 1 1.064 0.008 . 2 . . 583 . . 14 VAL HG12 . 50842 1 133 . 1 . 1 14 14 VAL HG13 H 1 1.064 0.008 . 2 . . 583 . . 14 VAL HG13 . 50842 1 134 . 1 . 1 14 14 VAL HG21 H 1 1.059 0.012 . 2 . . 586 . . 14 VAL HG21 . 50842 1 135 . 1 . 1 14 14 VAL HG22 H 1 1.059 0.012 . 2 . . 586 . . 14 VAL HG22 . 50842 1 136 . 1 . 1 14 14 VAL HG23 H 1 1.059 0.012 . 2 . . 586 . . 14 VAL HG23 . 50842 1 137 . 1 . 1 14 14 VAL C C 13 175.977 0.002 . 1 . . 677 . . 14 VAL C . 50842 1 138 . 1 . 1 14 14 VAL CA C 13 64.381 0.021 . 1 . . 588 . . 14 VAL CA . 50842 1 139 . 1 . 1 14 14 VAL CB C 13 32.750 0.044 . 1 . . 589 . . 14 VAL CB . 50842 1 140 . 1 . 1 14 14 VAL CG1 C 13 21.597 0.058 . 2 . . 585 . . 14 VAL CG1 . 50842 1 141 . 1 . 1 14 14 VAL CG2 C 13 21.596 0.053 . 2 . . 834 . . 14 VAL CG2 . 50842 1 142 . 1 . 1 14 14 VAL N N 15 118.985 0.051 . 1 . . 623 . . 14 VAL N . 50842 1 143 . 1 . 1 15 15 GLN H H 1 7.654 0.008 . 1 . . 678 . . 15 GLN H . 50842 1 144 . 1 . 1 15 15 GLN HA H 1 4.804 0.006 . 1 . . 676 . . 15 GLN HA . 50842 1 145 . 1 . 1 15 15 GLN HB2 H 1 2.233 0.011 . 1 . . 525 . . 15 GLN HB2 . 50842 1 146 . 1 . 1 15 15 GLN HB3 H 1 1.688 0.015 . 1 . . 520 . . 15 GLN HB3 . 50842 1 147 . 1 . 1 15 15 GLN HG2 H 1 2.342 0.023 . 1 . . 521 . . 15 GLN HG2 . 50842 1 148 . 1 . 1 15 15 GLN HG3 H 1 2.333 0.011 . 1 . . 682 . . 15 GLN HG3 . 50842 1 149 . 1 . 1 15 15 GLN C C 13 176.854 . . 1 . . 654 . . 15 GLN C . 50842 1 150 . 1 . 1 15 15 GLN CA C 13 53.789 0.036 . 1 . . 679 . . 15 GLN CA . 50842 1 151 . 1 . 1 15 15 GLN CB C 13 31.904 0.013 . 1 . . 680 . . 15 GLN CB . 50842 1 152 . 1 . 1 15 15 GLN CG C 13 33.746 0.037 . 1 . . 681 . . 15 GLN CG . 50842 1 153 . 1 . 1 15 15 GLN N N 15 114.899 0.019 . 1 . . 719 . . 15 GLN N . 50842 1 154 . 1 . 1 16 16 SER H H 1 8.687 0.005 . 1 . . 626 . . 16 SER H . 50842 1 155 . 1 . 1 16 16 SER HA H 1 4.693 0.012 . 1 . . 653 . . 16 SER HA . 50842 1 156 . 1 . 1 16 16 SER HB2 H 1 2.922 0.01 . 1 . . 657 . . 16 SER HB2 . 50842 1 157 . 1 . 1 16 16 SER HB3 H 1 2.922 0.01 . 1 . . 655 . . 16 SER HB3 . 50842 1 158 . 1 . 1 16 16 SER C C 13 177.790 . . 1 . . 746 . . 16 SER C . 50842 1 159 . 1 . 1 16 16 SER CA C 13 61.242 0.024 . 1 . . 625 . . 16 SER CA . 50842 1 160 . 1 . 1 16 16 SER CB C 13 61.403 0.232 . 1 . . 656 . . 16 SER CB . 50842 1 161 . 1 . 1 16 16 SER N N 15 121.472 0.05 . 1 . . 652 . . 16 SER N . 50842 1 162 . 1 . 1 17 17 SER H H 1 8.476 0.004 . 1 . . 748 . . 17 SER H . 50842 1 163 . 1 . 1 17 17 SER HA H 1 4.697 0.021 . 1 . . 745 . . 17 SER HA . 50842 1 164 . 1 . 1 17 17 SER HB2 H 1 4.003 0.014 . 1 . . 749 . . 17 SER HB2 . 50842 1 165 . 1 . 1 17 17 SER HB3 H 1 4.005 0.014 . 1 . . 747 . . 17 SER HB3 . 50842 1 166 . 1 . 1 17 17 SER C C 13 176.855 . . 1 . . 577 . . 17 SER C . 50842 1 167 . 1 . 1 17 17 SER CA C 13 60.669 0.016 . 1 . . 750 . . 17 SER CA . 50842 1 168 . 1 . 1 17 17 SER CB C 13 61.435 0.02 . 1 . . 751 . . 17 SER CB . 50842 1 169 . 1 . 1 17 17 SER N N 15 117.209 0.066 . 1 . . 744 . . 17 SER N . 50842 1 170 . 1 . 1 18 18 GLN H H 1 6.717 0.012 . 1 . . 581 . . 18 GLN H . 50842 1 171 . 1 . 1 18 18 GLN HA H 1 4.013 0.011 . 1 . . 575 . . 18 GLN HA . 50842 1 172 . 1 . 1 18 18 GLN HB2 H 1 2.027 0.017 . 1 . . 523 . . 18 GLN HB2 . 50842 1 173 . 1 . 1 18 18 GLN HB3 H 1 2.027 0.017 . 1 . . 576 . . 18 GLN HB3 . 50842 1 174 . 1 . 1 18 18 GLN HG2 H 1 2.459 0.014 . 1 . . 522 . . 18 GLN HG2 . 50842 1 175 . 1 . 1 18 18 GLN HG3 H 1 2.459 0.014 . 1 . . 582 . . 18 GLN HG3 . 50842 1 176 . 1 . 1 18 18 GLN C C 13 178.988 . . 1 . . 567 . . 18 GLN C . 50842 1 177 . 1 . 1 18 18 GLN CA C 13 57.597 0.03 . 1 . . 580 . . 18 GLN CA . 50842 1 178 . 1 . 1 18 18 GLN CB C 13 28.324 0.066 . 1 . . 579 . . 18 GLN CB . 50842 1 179 . 1 . 1 18 18 GLN CG C 13 33.967 0.061 . 1 . . 578 . . 18 GLN CG . 50842 1 180 . 1 . 1 18 18 GLN N N 15 121.116 0.151 . 1 . . 574 . . 18 GLN N . 50842 1 181 . 1 . 1 19 19 LEU H H 1 6.747 0.006 . 1 . . 571 . . 19 LEU H . 50842 1 182 . 1 . 1 19 19 LEU HA H 1 3.100 0.008 . 1 . . 564 . . 19 LEU HA . 50842 1 183 . 1 . 1 19 19 LEU HB2 H 1 1.798 0.009 . 1 . . 529 . . 19 LEU HB2 . 50842 1 184 . 1 . 1 19 19 LEU HB3 H 1 1.798 0.009 . 1 . . 569 . . 19 LEU HB3 . 50842 1 185 . 1 . 1 19 19 LEU HG H 1 1.538 0.01 . 1 . . 527 . . 19 LEU HG . 50842 1 186 . 1 . 1 19 19 LEU HD11 H 1 1.063 0.014 . 2 . . 573 . . 19 LEU HD11 . 50842 1 187 . 1 . 1 19 19 LEU HD12 H 1 1.063 0.014 . 2 . . 573 . . 19 LEU HD12 . 50842 1 188 . 1 . 1 19 19 LEU HD13 H 1 1.063 0.014 . 2 . . 573 . . 19 LEU HD13 . 50842 1 189 . 1 . 1 19 19 LEU HD21 H 1 0.962 0.025 . 2 . . 526 . . 19 LEU HD21 . 50842 1 190 . 1 . 1 19 19 LEU HD22 H 1 0.962 0.025 . 2 . . 526 . . 19 LEU HD22 . 50842 1 191 . 1 . 1 19 19 LEU HD23 H 1 0.962 0.025 . 2 . . 526 . . 19 LEU HD23 . 50842 1 192 . 1 . 1 19 19 LEU C C 13 177.227 . . 1 . . 618 . . 19 LEU C . 50842 1 193 . 1 . 1 19 19 LEU CA C 13 57.480 0.095 . 1 . . 570 . . 19 LEU CA . 50842 1 194 . 1 . 1 19 19 LEU CB C 13 40.226 0.07 . 1 . . 568 . . 19 LEU CB . 50842 1 195 . 1 . 1 19 19 LEU CG C 13 27.211 0.017 . 1 . . 572 . . 19 LEU CG . 50842 1 196 . 1 . 1 19 19 LEU CD1 C 13 23.562 1.415 . 2 . . 566 . . 19 LEU CD1 . 50842 1 197 . 1 . 1 19 19 LEU CD2 C 13 23.503 1.369 . 2 . . 565 . . 19 LEU CD2 . 50842 1 198 . 1 . 1 19 19 LEU N N 15 121.455 0.032 . 1 . . 563 . . 19 LEU N . 50842 1 199 . 1 . 1 20 20 ALA H H 1 7.929 0.009 . 1 . . 773 . . 20 ALA H . 50842 1 200 . 1 . 1 20 20 ALA HA H 1 3.944 0.005 . 1 . . 617 . . 20 ALA HA . 50842 1 201 . 1 . 1 20 20 ALA HB1 H 1 1.306 0.009 . 1 . . 621 . . 20 ALA HB1 . 50842 1 202 . 1 . 1 20 20 ALA HB2 H 1 1.306 0.009 . 1 . . 621 . . 20 ALA HB2 . 50842 1 203 . 1 . 1 20 20 ALA HB3 H 1 1.306 0.009 . 1 . . 621 . . 20 ALA HB3 . 50842 1 204 . 1 . 1 20 20 ALA C C 13 180.324 . . 1 . . 593 . . 20 ALA C . 50842 1 205 . 1 . 1 20 20 ALA CA C 13 55.326 0.091 . 1 . . 620 . . 20 ALA CA . 50842 1 206 . 1 . 1 20 20 ALA CB C 13 17.587 0.06 . 1 . . 619 . . 20 ALA CB . 50842 1 207 . 1 . 1 20 20 ALA N N 15 120.602 0.053 . 1 . . 616 . . 20 ALA N . 50842 1 208 . 1 . 1 21 21 ASN H H 1 7.552 0.014 . 1 . . 772 . . 21 ASN H . 50842 1 209 . 1 . 1 21 21 ASN HA H 1 4.282 0.015 . 1 . . 592 . . 21 ASN HA . 50842 1 210 . 1 . 1 21 21 ASN HB2 H 1 2.734 0.023 . 2 . . 594 . . 21 ASN HB2 . 50842 1 211 . 1 . 1 21 21 ASN HB3 H 1 2.734 0.023 . 2 . . 599 . . 21 ASN HB3 . 50842 1 212 . 1 . 1 21 21 ASN HD21 H 1 6.838 . . 1 . . 598 . . 21 ASN HD21 . 50842 1 213 . 1 . 1 21 21 ASN HD22 H 1 6.838 . . 1 . . 596 . . 21 ASN HD22 . 50842 1 214 . 1 . 1 21 21 ASN C C 13 176.726 . . 1 . . 648 . . 21 ASN C . 50842 1 215 . 1 . 1 21 21 ASN CA C 13 56.123 0.199 . 1 . . 597 . . 21 ASN CA . 50842 1 216 . 1 . 1 21 21 ASN CB C 13 38.745 0.06 . 1 . . 595 . . 21 ASN CB . 50842 1 217 . 1 . 1 21 21 ASN N N 15 115.201 0.086 . 1 . . 591 . . 21 ASN N . 50842 1 218 . 1 . 1 22 22 HIS H H 1 7.561 0.003 . 1 . . 771 . . 22 HIS H . 50842 1 219 . 1 . 1 22 22 HIS HA H 1 4.197 0.009 . 1 . . 647 . . 22 HIS HA . 50842 1 220 . 1 . 1 22 22 HIS HB2 H 1 3.211 0.018 . 1 . . 649 . . 22 HIS HB2 . 50842 1 221 . 1 . 1 22 22 HIS HB3 H 1 2.833 0.003 . 1 . . 524 . . 22 HIS HB3 . 50842 1 222 . 1 . 1 22 22 HIS CA C 13 59.381 0.08 . 1 . . 650 . . 22 HIS CA . 50842 1 223 . 1 . 1 22 22 HIS CB C 13 28.437 0.062 . 1 . . 651 . . 22 HIS CB . 50842 1 224 . 1 . 1 22 22 HIS N N 15 119.947 0.032 . 1 . . 646 . . 22 HIS N . 50842 1 225 . 1 . 1 23 23 ILE H H 1 7.871 . . 1 . . 770 . . 23 ILE H . 50842 1 226 . 1 . 1 23 23 ILE HA H 1 3.924 0.021 . 1 . . 607 . . 23 ILE HA . 50842 1 227 . 1 . 1 23 23 ILE HB H 1 1.769 0.007 . 1 . . 614 . . 23 ILE HB . 50842 1 228 . 1 . 1 23 23 ILE HG12 H 1 1.772 0.003 . 1 . . 612 . . 23 ILE HG12 . 50842 1 229 . 1 . 1 23 23 ILE HG13 H 1 1.772 0.003 . 1 . . 615 . . 23 ILE HG13 . 50842 1 230 . 1 . 1 23 23 ILE HG21 H 1 1.375 0.019 . 1 . . 609 . . 23 ILE HG21 . 50842 1 231 . 1 . 1 23 23 ILE HG22 H 1 1.375 0.019 . 1 . . 609 . . 23 ILE HG22 . 50842 1 232 . 1 . 1 23 23 ILE HG23 H 1 1.375 0.019 . 1 . . 609 . . 23 ILE HG23 . 50842 1 233 . 1 . 1 23 23 ILE HD11 H 1 0.951 0.011 . 1 . . 608 . . 23 ILE HD11 . 50842 1 234 . 1 . 1 23 23 ILE HD12 H 1 0.951 0.011 . 1 . . 608 . . 23 ILE HD12 . 50842 1 235 . 1 . 1 23 23 ILE HD13 H 1 0.951 0.011 . 1 . . 608 . . 23 ILE HD13 . 50842 1 236 . 1 . 1 23 23 ILE C C 13 178.347 . . 1 . . 541 . . 23 ILE C . 50842 1 237 . 1 . 1 23 23 ILE CA C 13 65.251 0.055 . 1 . . 610 . . 23 ILE CA . 50842 1 238 . 1 . 1 23 23 ILE CB C 13 37.903 0.042 . 1 . . 611 . . 23 ILE CB . 50842 1 239 . 1 . 1 23 23 ILE CG1 C 13 29.270 0.06 . 1 . . 606 . . 23 ILE CG1 . 50842 1 240 . 1 . 1 23 23 ILE CG2 C 13 17.496 . . 1 . . 613 . . 23 ILE CG2 . 50842 1 241 . 1 . 1 23 23 ILE CD1 C 13 13.690 0.161 . 1 . . 640 . . 23 ILE CD1 . 50842 1 242 . 1 . 1 24 24 ARG H H 1 7.400 0.012 . 1 . . 670 . . 24 ARG H . 50842 1 243 . 1 . 1 24 24 ARG HA H 1 4.012 0.003 . 1 . . 535 . . 24 ARG HA . 50842 1 244 . 1 . 1 24 24 ARG HB2 H 1 1.703 0.006 . 1 . . 537 . . 24 ARG HB2 . 50842 1 245 . 1 . 1 24 24 ARG HB3 H 1 1.703 0.006 . 1 . . 536 . . 24 ARG HB3 . 50842 1 246 . 1 . 1 24 24 ARG C C 13 177.471 . . 1 . . 556 . . 24 ARG C . 50842 1 247 . 1 . 1 24 24 ARG CA C 13 58.426 0.105 . 1 . . 671 . . 24 ARG CA . 50842 1 248 . 1 . 1 24 24 ARG CB C 13 30.000 0.063 . 1 . . 672 . . 24 ARG CB . 50842 1 249 . 1 . 1 24 24 ARG CG C 13 27.458 . . 1 . . 673 . . 24 ARG CG . 50842 1 250 . 1 . 1 24 24 ARG CD C 13 43.457 . . 1 . . 669 . . 24 ARG CD . 50842 1 251 . 1 . 1 24 24 ARG N N 15 118.918 0.031 . 1 . . 668 . . 24 ARG N . 50842 1 252 . 1 . 1 25 25 HIS H H 1 7.526 0.014 . 1 . . 769 . . 25 HIS H . 50842 1 253 . 1 . 1 25 25 HIS HA H 1 4.532 0.012 . 1 . . 555 . . 25 HIS HA . 50842 1 254 . 1 . 1 25 25 HIS HB2 H 1 3.223 0.017 . 1 . . 560 . . 25 HIS HB2 . 50842 1 255 . 1 . 1 25 25 HIS HB3 H 1 2.908 0.012 . 1 . . 519 . . 25 HIS HB3 . 50842 1 256 . 1 . 1 25 25 HIS HD2 H 1 6.917 0.0 . 1 . . 558 . . 25 HIS HD2 . 50842 1 257 . 1 . 1 25 25 HIS CA C 13 56.138 0.032 . 1 . . 557 . . 25 HIS CA . 50842 1 258 . 1 . 1 25 25 HIS CB C 13 28.160 0.137 . 1 . . 559 . . 25 HIS CB . 50842 1 259 . 1 . 1 25 25 HIS N N 15 114.897 0.056 . 1 . . 554 . . 25 HIS N . 50842 1 260 . 1 . 1 26 26 HIS C C 13 175.520 0.001 . 1 . . 800 . . 26 HIS C . 50842 1 261 . 1 . 1 26 26 HIS CA C 13 57.785 . . 1 . . 534 . . 26 HIS CA . 50842 1 262 . 1 . 1 26 26 HIS CB C 13 28.992 . . 1 . . 530 . . 26 HIS CB . 50842 1 263 . 1 . 1 27 27 ASP H H 1 8.100 0.008 . 1 . . 768 . . 27 ASP H . 50842 1 264 . 1 . 1 27 27 ASP HA H 1 4.547 0.013 . 1 . . 799 . . 27 ASP HA . 50842 1 265 . 1 . 1 27 27 ASP HB2 H 1 2.647 0.023 . 1 . . 775 . . 27 ASP HB2 . 50842 1 266 . 1 . 1 27 27 ASP HB3 H 1 2.647 0.023 . 1 . . 622 . . 27 ASP HB3 . 50842 1 267 . 1 . 1 27 27 ASP C C 13 175.913 . . 1 . . 782 . . 27 ASP C . 50842 1 268 . 1 . 1 27 27 ASP CA C 13 54.680 0.104 . 1 . . 776 . . 27 ASP CA . 50842 1 269 . 1 . 1 27 27 ASP CB C 13 40.999 0.021 . 1 . . 777 . . 27 ASP CB . 50842 1 270 . 1 . 1 27 27 ASP N N 15 119.450 0.072 . 1 . . 798 . . 27 ASP N . 50842 1 271 . 1 . 1 28 28 ASN H H 1 8.186 0.018 . 1 . . 787 . . 28 ASN H . 50842 1 272 . 1 . 1 28 28 ASN HA H 1 4.591 0.027 . 1 . . 788 . . 28 ASN HA . 50842 1 273 . 1 . 1 28 28 ASN HB2 H 1 2.705 0.016 . 1 . . 783 . . 28 ASN HB2 . 50842 1 274 . 1 . 1 28 28 ASN HB3 H 1 2.705 0.016 . 1 . . 785 . . 28 ASN HB3 . 50842 1 275 . 1 . 1 28 28 ASN HD21 H 1 7.491 0.013 . 1 . . 779 . . 28 ASN HD21 . 50842 1 276 . 1 . 1 28 28 ASN HD22 H 1 6.800 0.011 . 1 . . 780 . . 28 ASN HD22 . 50842 1 277 . 1 . 1 28 28 ASN C C 13 174.911 0.001 . 1 . . 794 . . 28 ASN C . 50842 1 278 . 1 . 1 28 28 ASN CA C 13 53.183 0.106 . 1 . . 786 . . 28 ASN CA . 50842 1 279 . 1 . 1 28 28 ASN CB C 13 38.780 0.044 . 1 . . 784 . . 28 ASN CB . 50842 1 280 . 1 . 1 28 28 ASN N N 15 118.563 0.025 . 1 . . 778 . . 28 ASN N . 50842 1 281 . 1 . 1 28 28 ASN ND2 N 15 112.340 0.04 . 1 . . 781 . . 28 ASN ND2 . 50842 1 282 . 1 . 1 29 29 ILE H H 1 7.850 0.017 . 1 . . 795 . . 29 ILE H . 50842 1 283 . 1 . 1 29 29 ILE HA H 1 4.002 0.012 . 1 . . 757 . . 29 ILE HA . 50842 1 284 . 1 . 1 29 29 ILE HB H 1 1.798 0.014 . 1 . . 758 . . 29 ILE HB . 50842 1 285 . 1 . 1 29 29 ILE HG12 H 1 1.103 0.007 . 1 . . 532 . . 29 ILE HG12 . 50842 1 286 . 1 . 1 29 29 ILE HG13 H 1 1.103 0.007 . 1 . . 531 . . 29 ILE HG13 . 50842 1 287 . 1 . 1 29 29 ILE HG21 H 1 0.806 0.015 . 1 . . 756 . . 29 ILE HG21 . 50842 1 288 . 1 . 1 29 29 ILE HG22 H 1 0.806 0.015 . 1 . . 756 . . 29 ILE HG22 . 50842 1 289 . 1 . 1 29 29 ILE HG23 H 1 0.806 0.015 . 1 . . 756 . . 29 ILE HG23 . 50842 1 290 . 1 . 1 29 29 ILE HD11 H 1 0.747 0.008 . 1 . . 793 . . 29 ILE HD11 . 50842 1 291 . 1 . 1 29 29 ILE HD12 H 1 0.747 0.008 . 1 . . 793 . . 29 ILE HD12 . 50842 1 292 . 1 . 1 29 29 ILE HD13 H 1 0.747 0.008 . 1 . . 793 . . 29 ILE HD13 . 50842 1 293 . 1 . 1 29 29 ILE C C 13 175.626 . . 1 . . 761 . . 29 ILE C . 50842 1 294 . 1 . 1 29 29 ILE CA C 13 61.566 0.099 . 1 . . 796 . . 29 ILE CA . 50842 1 295 . 1 . 1 29 29 ILE CB C 13 38.060 0.112 . 1 . . 797 . . 29 ILE CB . 50842 1 296 . 1 . 1 29 29 ILE CG1 C 13 27.031 0.162 . 1 . . 791 . . 29 ILE CG1 . 50842 1 297 . 1 . 1 29 29 ILE CG2 C 13 17.479 0.148 . 1 . . 792 . . 29 ILE CG2 . 50842 1 298 . 1 . 1 29 29 ILE CD1 C 13 12.690 0.106 . 1 . . 790 . . 29 ILE CD1 . 50842 1 299 . 1 . 1 29 29 ILE N N 15 120.520 0.017 . 1 . . 789 . . 29 ILE N . 50842 1 300 . 1 . 1 30 30 ARG H H 1 8.135 0.004 . 1 . . 766 . . 30 ARG H . 50842 1 301 . 1 . 1 30 30 ARG HA H 1 4.546 0.008 . 1 . . 760 . . 30 ARG HA . 50842 1 302 . 1 . 1 30 30 ARG HB2 H 1 1.542 0.004 . 1 . . 762 . . 30 ARG HB2 . 50842 1 303 . 1 . 1 30 30 ARG HB3 H 1 1.542 0.004 . 1 . . 551 . . 30 ARG HB3 . 50842 1 304 . 1 . 1 30 30 ARG HG2 H 1 1.319 0.024 . 1 . . 767 . . 30 ARG HG2 . 50842 1 305 . 1 . 1 30 30 ARG HG3 H 1 1.319 0.024 . 1 . . 553 . . 30 ARG HG3 . 50842 1 306 . 1 . 1 30 30 ARG HD2 H 1 2.937 0.005 . 1 . . 552 . . 30 ARG HD2 . 50842 1 307 . 1 . 1 30 30 ARG HD3 H 1 2.937 0.005 . 1 . . 764 . . 30 ARG HD3 . 50842 1 308 . 1 . 1 30 30 ARG CA C 13 53.187 0.032 . 1 . . 765 . . 30 ARG CA . 50842 1 309 . 1 . 1 30 30 ARG CB C 13 30.851 0.05 . 1 . . 763 . . 30 ARG CB . 50842 1 310 . 1 . 1 30 30 ARG CG C 13 27.403 0.067 . 1 . . 533 . . 30 ARG CG . 50842 1 311 . 1 . 1 30 30 ARG N N 15 124.146 0.049 . 1 . . 759 . . 30 ARG N . 50842 1 312 . 1 . 1 31 31 PRO C C 13 176.458 . . 1 . . 449 . . 31 PRO C . 50842 1 313 . 1 . 1 31 31 PRO CA C 13 63.481 . . 1 . . 447 . . 31 PRO CA . 50842 1 314 . 1 . 1 31 31 PRO CB C 13 32.340 . . 1 . . 448 . . 31 PRO CB . 50842 1 315 . 1 . 1 32 32 TYR H H 1 7.726 0.018 . 1 . . 407 . . 32 TYR H . 50842 1 316 . 1 . 1 32 32 TYR HA H 1 4.562 0.013 . 1 . . 401 . . 32 TYR HA . 50842 1 317 . 1 . 1 32 32 TYR HB2 H 1 2.734 0.015 . 1 . . 405 . . 32 TYR HB2 . 50842 1 318 . 1 . 1 32 32 TYR HB3 H 1 2.734 0.015 . 1 . . 403 . . 32 TYR HB3 . 50842 1 319 . 1 . 1 32 32 TYR HD1 H 1 7.242 0.0 . 1 . . 827 . . 32 TYR HD1 . 50842 1 320 . 1 . 1 32 32 TYR HD2 H 1 7.242 0.0 . 1 . . 827 . . 32 TYR HD2 . 50842 1 321 . 1 . 1 32 32 TYR HE1 H 1 6.919 . . 1 . . 802 . . 32 TYR HE1 . 50842 1 322 . 1 . 1 32 32 TYR HE2 H 1 6.919 . . 1 . . 802 . . 32 TYR HE2 . 50842 1 323 . 1 . 1 32 32 TYR C C 13 174.551 . . 1 . . 402 . . 32 TYR C . 50842 1 324 . 1 . 1 32 32 TYR CA C 13 57.529 0.055 . 1 . . 406 . . 32 TYR CA . 50842 1 325 . 1 . 1 32 32 TYR CB C 13 38.711 0.173 . 1 . . 404 . . 32 TYR CB . 50842 1 326 . 1 . 1 32 32 TYR N N 15 118.040 0.153 . 1 . . 822 . . 32 TYR N . 50842 1 327 . 1 . 1 33 33 LYS H H 1 8.553 0.008 . 1 . . 413 . . 33 LYS H . 50842 1 328 . 1 . 1 33 33 LYS HA H 1 4.970 0.011 . 1 . . 409 . . 33 LYS HA . 50842 1 329 . 1 . 1 33 33 LYS HB2 H 1 1.563 0.006 . 1 . . 414 . . 33 LYS HB2 . 50842 1 330 . 1 . 1 33 33 LYS HB3 H 1 1.563 0.006 . 1 . . 412 . . 33 LYS HB3 . 50842 1 331 . 1 . 1 33 33 LYS HG2 H 1 1.177 0.012 . 1 . . 411 . . 33 LYS HG2 . 50842 1 332 . 1 . 1 33 33 LYS HG3 H 1 1.176 0.012 . 1 . . 419 . . 33 LYS HG3 . 50842 1 333 . 1 . 1 33 33 LYS HE2 H 1 2.858 0.013 . 1 . . 421 . . 33 LYS HE2 . 50842 1 334 . 1 . 1 33 33 LYS HE3 H 1 2.858 0.013 . 1 . . 418 . . 33 LYS HE3 . 50842 1 335 . 1 . 1 33 33 LYS C C 13 175.505 . . 1 . . 410 . . 33 LYS C . 50842 1 336 . 1 . 1 33 33 LYS CA C 13 54.990 0.093 . 1 . . 415 . . 33 LYS CA . 50842 1 337 . 1 . 1 33 33 LYS CB C 13 35.175 0.049 . 1 . . 416 . . 33 LYS CB . 50842 1 338 . 1 . 1 33 33 LYS CG C 13 25.015 0.069 . 1 . . 417 . . 33 LYS CG . 50842 1 339 . 1 . 1 33 33 LYS CD C 13 29.539 . . 1 . . 408 . . 33 LYS CD . 50842 1 340 . 1 . 1 33 33 LYS CE C 13 41.922 . . 1 . . 420 . . 33 LYS CE . 50842 1 341 . 1 . 1 33 33 LYS N N 15 124.426 0.049 . 1 . . 814 . . 33 LYS N . 50842 1 342 . 1 . 1 34 34 CYS H H 1 9.056 0.005 . 1 . . 465 . . 34 CYS H . 50842 1 343 . 1 . 1 34 34 CYS HA H 1 4.419 0.007 . 1 . . 463 . . 34 CYS HA . 50842 1 344 . 1 . 1 34 34 CYS HB2 H 1 2.794 0.012 . 2 . . 468 . . 34 CYS HB2 . 50842 1 345 . 1 . 1 34 34 CYS HB3 H 1 3.304 0.02 . 2 . . 469 . . 34 CYS HB3 . 50842 1 346 . 1 . 1 34 34 CYS C C 13 177.141 . . 1 . . 464 . . 34 CYS C . 50842 1 347 . 1 . 1 34 34 CYS CA C 13 60.034 0.11 . 1 . . 466 . . 34 CYS CA . 50842 1 348 . 1 . 1 34 34 CYS CB C 13 29.739 0.006 . 1 . . 467 . . 34 CYS CB . 50842 1 349 . 1 . 1 34 34 CYS N N 15 126.654 0.082 . 1 . . 815 . . 34 CYS N . 50842 1 350 . 1 . 1 35 35 SER H H 1 8.896 0.014 . 1 . . 480 . . 35 SER H . 50842 1 351 . 1 . 1 35 35 SER HA H 1 4.718 0.006 . 1 . . 477 . . 35 SER HA . 50842 1 352 . 1 . 1 35 35 SER HB2 H 1 4.223 0.023 . 1 . . 481 . . 35 SER HB2 . 50842 1 353 . 1 . 1 35 35 SER HB3 H 1 4.223 0.023 . 1 . . 479 . . 35 SER HB3 . 50842 1 354 . 1 . 1 35 35 SER C C 13 174.355 . . 1 . . 478 . . 35 SER C . 50842 1 355 . 1 . 1 35 35 SER CA C 13 60.724 0.123 . 1 . . 482 . . 35 SER CA . 50842 1 356 . 1 . 1 35 35 SER CB C 13 63.216 0.044 . 1 . . 483 . . 35 SER CB . 50842 1 357 . 1 . 1 35 35 SER N N 15 126.486 0.047 . 1 . . 820 . . 35 SER N . 50842 1 358 . 1 . 1 36 36 VAL H H 1 8.944 0.007 . 1 . . 441 . . 36 VAL H . 50842 1 359 . 1 . 1 36 36 VAL HA H 1 3.806 0.008 . 1 . . 437 . . 36 VAL HA . 50842 1 360 . 1 . 1 36 36 VAL HB H 1 1.098 0.01 . 1 . . 444 . . 36 VAL HB . 50842 1 361 . 1 . 1 36 36 VAL HG11 H 1 0.274 0.01 . 2 . . 445 . . 36 VAL HG11 . 50842 1 362 . 1 . 1 36 36 VAL HG12 H 1 0.274 0.01 . 2 . . 445 . . 36 VAL HG12 . 50842 1 363 . 1 . 1 36 36 VAL HG13 H 1 0.274 0.01 . 2 . . 445 . . 36 VAL HG13 . 50842 1 364 . 1 . 1 36 36 VAL HG21 H 1 0.814 0.002 . 2 . . 446 . . 36 VAL HG21 . 50842 1 365 . 1 . 1 36 36 VAL HG22 H 1 0.814 0.002 . 2 . . 446 . . 36 VAL HG22 . 50842 1 366 . 1 . 1 36 36 VAL HG23 H 1 0.814 0.002 . 2 . . 446 . . 36 VAL HG23 . 50842 1 367 . 1 . 1 36 36 VAL C C 13 176.913 0.003 . 1 . . 438 . . 36 VAL C . 50842 1 368 . 1 . 1 36 36 VAL CA C 13 64.904 0.013 . 1 . . 442 . . 36 VAL CA . 50842 1 369 . 1 . 1 36 36 VAL CB C 13 32.886 0.041 . 1 . . 443 . . 36 VAL CB . 50842 1 370 . 1 . 1 36 36 VAL CG1 C 13 20.778 0.353 . 2 . . 439 . . 36 VAL CG1 . 50842 1 371 . 1 . 1 36 36 VAL CG2 C 13 20.816 0.334 . 2 . . 440 . . 36 VAL CG2 . 50842 1 372 . 1 . 1 36 36 VAL N N 15 124.529 0.053 . 1 . . 808 . . 36 VAL N . 50842 1 373 . 1 . 1 37 37 CYS H H 1 8.194 0.008 . 1 . . 363 . . 37 CYS H . 50842 1 374 . 1 . 1 37 37 CYS HA H 1 5.110 0.009 . 1 . . 361 . . 37 CYS HA . 50842 1 375 . 1 . 1 37 37 CYS HB2 H 1 3.429 0.007 . 2 . . 366 . . 37 CYS HB2 . 50842 1 376 . 1 . 1 37 37 CYS HB3 H 1 2.728 0.012 . 2 . . 367 . . 37 CYS HB3 . 50842 1 377 . 1 . 1 37 37 CYS C C 13 175.681 0.001 . 1 . . 362 . . 37 CYS C . 50842 1 378 . 1 . 1 37 37 CYS CA C 13 58.329 0.053 . 1 . . 364 . . 37 CYS CA . 50842 1 379 . 1 . 1 37 37 CYS CB C 13 32.166 0.019 . 1 . . 365 . . 37 CYS CB . 50842 1 380 . 1 . 1 37 37 CYS N N 15 117.691 0.009 . 1 . . 818 . . 37 CYS N . 50842 1 381 . 1 . 1 38 38 SER H H 1 7.856 0.008 . 1 . . 426 . . 38 SER H . 50842 1 382 . 1 . 1 38 38 SER HA H 1 4.149 0.013 . 1 . . 422 . . 38 SER HA . 50842 1 383 . 1 . 1 38 38 SER C C 13 173.010 0.002 . 1 . . 423 . . 38 SER C . 50842 1 384 . 1 . 1 38 38 SER CA C 13 61.277 0.022 . 1 . . 425 . . 38 SER CA . 50842 1 385 . 1 . 1 38 38 SER CB C 13 62.256 0.028 . 1 . . 424 . . 38 SER CB . 50842 1 386 . 1 . 1 38 38 SER N N 15 114.203 0.022 . 1 . . 831 . . 38 SER N . 50842 1 387 . 1 . 1 39 39 LYS H H 1 8.027 0.006 . 1 . . 514 . . 39 LYS H . 50842 1 388 . 1 . 1 39 39 LYS HA H 1 3.884 0.003 . 1 . . 509 . . 39 LYS HA . 50842 1 389 . 1 . 1 39 39 LYS HB2 H 1 1.419 0.021 . 2 . . 832 . . 39 LYS HB2 . 50842 1 390 . 1 . 1 39 39 LYS HB3 H 1 1.401 0.021 . 2 . . 830 . . 39 LYS HB3 . 50842 1 391 . 1 . 1 39 39 LYS HG2 H 1 1.147 0.019 . 1 . . 515 . . 39 LYS HG2 . 50842 1 392 . 1 . 1 39 39 LYS HG3 H 1 1.142 0.014 . 1 . . 516 . . 39 LYS HG3 . 50842 1 393 . 1 . 1 39 39 LYS C C 13 173.746 0.0 . 1 . . 510 . . 39 LYS C . 50842 1 394 . 1 . 1 39 39 LYS CA C 13 58.467 0.057 . 1 . . 513 . . 39 LYS CA . 50842 1 395 . 1 . 1 39 39 LYS CB C 13 33.479 0.023 . 1 . . 512 . . 39 LYS CB . 50842 1 396 . 1 . 1 39 39 LYS CG C 13 25.956 0.0 . 1 . . 511 . . 39 LYS CG . 50842 1 397 . 1 . 1 39 39 LYS CD C 13 29.411 0.005 . 1 . . 508 . . 39 LYS CD . 50842 1 398 . 1 . 1 39 39 LYS CE C 13 42.196 0.028 . 1 . . 517 . . 39 LYS CE . 50842 1 399 . 1 . 1 39 39 LYS N N 15 123.915 0.033 . 1 . . 826 . . 39 LYS N . 50842 1 400 . 1 . 1 40 40 ALA H H 1 7.723 0.008 . 1 . . 452 . . 40 ALA H . 50842 1 401 . 1 . 1 40 40 ALA HA H 1 5.053 0.013 . 1 . . 450 . . 40 ALA HA . 50842 1 402 . 1 . 1 40 40 ALA HB1 H 1 1.152 0.005 . 1 . . 455 . . 40 ALA HB1 . 50842 1 403 . 1 . 1 40 40 ALA HB2 H 1 1.152 0.005 . 1 . . 455 . . 40 ALA HB2 . 50842 1 404 . 1 . 1 40 40 ALA HB3 H 1 1.152 0.005 . 1 . . 455 . . 40 ALA HB3 . 50842 1 405 . 1 . 1 40 40 ALA C C 13 176.484 0.002 . 1 . . 451 . . 40 ALA C . 50842 1 406 . 1 . 1 40 40 ALA CA C 13 50.365 0.038 . 1 . . 453 . . 40 ALA CA . 50842 1 407 . 1 . 1 40 40 ALA CB C 13 22.405 0.012 . 1 . . 454 . . 40 ALA CB . 50842 1 408 . 1 . 1 40 40 ALA N N 15 123.902 0.019 . 1 . . 825 . . 40 ALA N . 50842 1 409 . 1 . 1 41 41 PHE H H 1 8.797 0.009 . 1 . . 398 . . 41 PHE H . 50842 1 410 . 1 . 1 41 41 PHE HA H 1 4.674 0.011 . 1 . . 394 . . 41 PHE HA . 50842 1 411 . 1 . 1 41 41 PHE HB2 H 1 2.624 0.013 . 2 . . 399 . . 41 PHE HB2 . 50842 1 412 . 1 . 1 41 41 PHE HB3 H 1 3.407 0.023 . 2 . . 400 . . 41 PHE HB3 . 50842 1 413 . 1 . 1 41 41 PHE HD1 H 1 7.229 0.016 . 1 . . 801 . . 41 PHE HD1 . 50842 1 414 . 1 . 1 41 41 PHE HD2 H 1 7.229 0.016 . 1 . . 801 . . 41 PHE HD2 . 50842 1 415 . 1 . 1 41 41 PHE C C 13 175.336 . . 1 . . 395 . . 41 PHE C . 50842 1 416 . 1 . 1 41 41 PHE CA C 13 57.563 0.039 . 1 . . 397 . . 41 PHE CA . 50842 1 417 . 1 . 1 41 41 PHE CB C 13 43.626 0.058 . 1 . . 396 . . 41 PHE CB . 50842 1 418 . 1 . 1 41 41 PHE N N 15 118.020 0.018 . 1 . . 809 . . 41 PHE N . 50842 1 419 . 1 . 1 42 42 VAL H H 1 9.203 0.003 . 1 . . 356 . . 42 VAL H . 50842 1 420 . 1 . 1 42 42 VAL HA H 1 4.209 0.011 . 1 . . 359 . . 42 VAL HA . 50842 1 421 . 1 . 1 42 42 VAL HB H 1 2.213 0.008 . 1 . . 427 . . 42 VAL HB . 50842 1 422 . 1 . 1 42 42 VAL HG11 H 1 1.069 0.014 . 1 . . 357 . . 42 VAL HG11 . 50842 1 423 . 1 . 1 42 42 VAL HG12 H 1 1.069 0.014 . 1 . . 357 . . 42 VAL HG12 . 50842 1 424 . 1 . 1 42 42 VAL HG13 H 1 1.069 0.014 . 1 . . 357 . . 42 VAL HG13 . 50842 1 425 . 1 . 1 42 42 VAL HG21 H 1 1.069 0.014 . 1 . . 355 . . 42 VAL HG21 . 50842 1 426 . 1 . 1 42 42 VAL HG22 H 1 1.069 0.014 . 1 . . 355 . . 42 VAL HG22 . 50842 1 427 . 1 . 1 42 42 VAL HG23 H 1 1.069 0.014 . 1 . . 355 . . 42 VAL HG23 . 50842 1 428 . 1 . 1 42 42 VAL C C 13 175.311 0.0 . 1 . . 354 . . 42 VAL C . 50842 1 429 . 1 . 1 42 42 VAL CA C 13 64.085 0.091 . 1 . . 353 . . 42 VAL CA . 50842 1 430 . 1 . 1 42 42 VAL CB C 13 32.776 0.067 . 1 . . 358 . . 42 VAL CB . 50842 1 431 . 1 . 1 42 42 VAL CG1 C 13 21.514 0.15 . 1 . . 360 . . 42 VAL CG1 . 50842 1 432 . 1 . 1 42 42 VAL CG2 C 13 21.501 0.145 . 1 . . 352 . . 42 VAL CG2 . 50842 1 433 . 1 . 1 42 42 VAL N N 15 118.084 0.053 . 1 . . 811 . . 42 VAL N . 50842 1 434 . 1 . 1 43 43 ASN H H 1 7.535 0.007 . 1 . . 435 . . 43 ASN H . 50842 1 435 . 1 . 1 43 43 ASN HA H 1 4.941 0.006 . 1 . . 428 . . 43 ASN HA . 50842 1 436 . 1 . 1 43 43 ASN HB2 H 1 2.816 0.009 . 1 . . 433 . . 43 ASN HB2 . 50842 1 437 . 1 . 1 43 43 ASN HB3 H 1 2.816 0.009 . 1 . . 430 . . 43 ASN HB3 . 50842 1 438 . 1 . 1 43 43 ASN HD21 H 1 6.856 0.015 . 1 . . 436 . . 43 ASN HD21 . 50842 1 439 . 1 . 1 43 43 ASN HD22 H 1 6.856 0.015 . 1 . . 432 . . 43 ASN HD22 . 50842 1 440 . 1 . 1 43 43 ASN C C 13 175.016 0.003 . 1 . . 429 . . 43 ASN C . 50842 1 441 . 1 . 1 43 43 ASN CA C 13 51.672 0.109 . 1 . . 434 . . 43 ASN CA . 50842 1 442 . 1 . 1 43 43 ASN CB C 13 41.201 0.029 . 1 . . 431 . . 43 ASN CB . 50842 1 443 . 1 . 1 43 43 ASN N N 15 113.174 0.02 . 1 . . 823 . . 43 ASN N . 50842 1 444 . 1 . 1 44 44 VAL H H 1 8.225 0.008 . 1 . . 505 . . 44 VAL H . 50842 1 445 . 1 . 1 44 44 VAL HA H 1 3.096 0.011 . 1 . . 499 . . 44 VAL HA . 50842 1 446 . 1 . 1 44 44 VAL HB H 1 1.386 0.015 . 1 . . 507 . . 44 VAL HB . 50842 1 447 . 1 . 1 44 44 VAL HG11 H 1 0.629 0.009 . 1 . . 500 . . 44 VAL HG11 . 50842 1 448 . 1 . 1 44 44 VAL HG12 H 1 0.629 0.009 . 1 . . 500 . . 44 VAL HG12 . 50842 1 449 . 1 . 1 44 44 VAL HG13 H 1 0.629 0.009 . 1 . . 500 . . 44 VAL HG13 . 50842 1 450 . 1 . 1 44 44 VAL HG21 H 1 0.630 0.01 . 1 . . 502 . . 44 VAL HG21 . 50842 1 451 . 1 . 1 44 44 VAL HG22 H 1 0.630 0.01 . 1 . . 502 . . 44 VAL HG22 . 50842 1 452 . 1 . 1 44 44 VAL HG23 H 1 0.630 0.01 . 1 . . 502 . . 44 VAL HG23 . 50842 1 453 . 1 . 1 44 44 VAL C C 13 177.291 . . 1 . . 501 . . 44 VAL C . 50842 1 454 . 1 . 1 44 44 VAL CA C 13 64.842 0.076 . 1 . . 504 . . 44 VAL CA . 50842 1 455 . 1 . 1 44 44 VAL CB C 13 31.308 0.09 . 1 . . 503 . . 44 VAL CB . 50842 1 456 . 1 . 1 44 44 VAL CG1 C 13 21.628 0.672 . 1 . . 498 . . 44 VAL CG1 . 50842 1 457 . 1 . 1 44 44 VAL CG2 C 13 21.628 0.672 . 1 . . 506 . . 44 VAL CG2 . 50842 1 458 . 1 . 1 44 44 VAL N N 15 121.491 0.038 . 1 . . 813 . . 44 VAL N . 50842 1 459 . 1 . 1 45 45 GLY H H 1 8.431 0.007 . 1 . . 382 . . 45 GLY H . 50842 1 460 . 1 . 1 45 45 GLY HA2 H 1 3.740 0.01 . 2 . . 380 . . 45 GLY HA2 . 50842 1 461 . 1 . 1 45 45 GLY HA3 H 1 3.740 0.01 . 2 . . 381 . . 45 GLY HA3 . 50842 1 462 . 1 . 1 45 45 GLY C C 13 176.688 0.002 . 1 . . 383 . . 45 GLY C . 50842 1 463 . 1 . 1 45 45 GLY CA C 13 46.666 0.064 . 1 . . 379 . . 45 GLY CA . 50842 1 464 . 1 . 1 45 45 GLY N N 15 111.792 0.027 . 1 . . 819 . . 45 GLY N . 50842 1 465 . 1 . 1 46 46 ASP H H 1 7.910 0.01 . 1 . . 476 . . 46 ASP H . 50842 1 466 . 1 . 1 46 46 ASP HA H 1 4.228 0.01 . 1 . . 470 . . 46 ASP HA . 50842 1 467 . 1 . 1 46 46 ASP HB2 H 1 2.710 0.014 . 1 . . 474 . . 46 ASP HB2 . 50842 1 468 . 1 . 1 46 46 ASP HB3 H 1 2.724 0.013 . 1 . . 472 . . 46 ASP HB3 . 50842 1 469 . 1 . 1 46 46 ASP C C 13 178.851 0.001 . 1 . . 471 . . 46 ASP C . 50842 1 470 . 1 . 1 46 46 ASP CA C 13 56.555 0.036 . 1 . . 475 . . 46 ASP CA . 50842 1 471 . 1 . 1 46 46 ASP CB C 13 40.198 0.046 . 1 . . 473 . . 46 ASP CB . 50842 1 472 . 1 . 1 46 46 ASP N N 15 121.717 0.034 . 1 . . 816 . . 46 ASP N . 50842 1 473 . 1 . 1 47 47 LEU H H 1 6.865 0.008 . 1 . . 375 . . 47 LEU H . 50842 1 474 . 1 . 1 47 47 LEU HA H 1 3.123 0.015 . 1 . . 369 . . 47 LEU HA . 50842 1 475 . 1 . 1 47 47 LEU HB2 H 1 1.893 0.023 . 2 . . 829 . . 47 LEU HB2 . 50842 1 476 . 1 . 1 47 47 LEU HB3 H 1 1.893 0.023 . 2 . . 833 . . 47 LEU HB3 . 50842 1 477 . 1 . 1 47 47 LEU HG H 1 1.545 0.01 . 1 . . 374 . . 47 LEU HG . 50842 1 478 . 1 . 1 47 47 LEU HD11 H 1 0.938 0.015 . 1 . . 371 . . 47 LEU HD11 . 50842 1 479 . 1 . 1 47 47 LEU HD12 H 1 0.938 0.015 . 1 . . 371 . . 47 LEU HD12 . 50842 1 480 . 1 . 1 47 47 LEU HD13 H 1 0.938 0.015 . 1 . . 371 . . 47 LEU HD13 . 50842 1 481 . 1 . 1 47 47 LEU HD21 H 1 0.946 0.013 . 1 . . 372 . . 47 LEU HD21 . 50842 1 482 . 1 . 1 47 47 LEU HD22 H 1 0.946 0.013 . 1 . . 372 . . 47 LEU HD22 . 50842 1 483 . 1 . 1 47 47 LEU HD23 H 1 0.946 0.013 . 1 . . 372 . . 47 LEU HD23 . 50842 1 484 . 1 . 1 47 47 LEU C C 13 177.717 . . 1 . . 373 . . 47 LEU C . 50842 1 485 . 1 . 1 47 47 LEU CA C 13 57.841 0.031 . 1 . . 376 . . 47 LEU CA . 50842 1 486 . 1 . 1 47 47 LEU CB C 13 40.440 0.052 . 1 . . 377 . . 47 LEU CB . 50842 1 487 . 1 . 1 47 47 LEU CG C 13 27.088 0.178 . 1 . . 378 . . 47 LEU CG . 50842 1 488 . 1 . 1 47 47 LEU CD1 C 13 22.872 0.028 . 1 . . 368 . . 47 LEU CD1 . 50842 1 489 . 1 . 1 47 47 LEU CD2 C 13 26.495 0.063 . 1 . . 370 . . 47 LEU CD2 . 50842 1 490 . 1 . 1 47 47 LEU N N 15 121.668 0.027 . 1 . . 806 . . 47 LEU N . 50842 1 491 . 1 . 1 48 48 SER H H 1 8.354 0.002 . 1 . . 462 . . 48 SER H . 50842 1 492 . 1 . 1 48 48 SER HA H 1 4.183 0.006 . 1 . . 456 . . 48 SER HA . 50842 1 493 . 1 . 1 48 48 SER HB2 H 1 3.963 0.011 . 1 . . 460 . . 48 SER HB2 . 50842 1 494 . 1 . 1 48 48 SER HB3 H 1 3.963 0.011 . 1 . . 458 . . 48 SER HB3 . 50842 1 495 . 1 . 1 48 48 SER C C 13 176.127 . . 1 . . 457 . . 48 SER C . 50842 1 496 . 1 . 1 48 48 SER CA C 13 61.960 0.044 . 1 . . 461 . . 48 SER CA . 50842 1 497 . 1 . 1 48 48 SER CB C 13 62.619 0.102 . 1 . . 459 . . 48 SER CB . 50842 1 498 . 1 . 1 48 48 SER N N 15 114.881 0.035 . 1 . . 821 . . 48 SER N . 50842 1 499 . 1 . 1 49 49 LYS H H 1 7.314 0.006 . 1 . . 349 . . 49 LYS H . 50842 1 500 . 1 . 1 49 49 LYS HA H 1 3.998 0.006 . 1 . . 343 . . 49 LYS HA . 50842 1 501 . 1 . 1 49 49 LYS HB2 H 1 1.693 0.01 . 1 . . 347 . . 49 LYS HB2 . 50842 1 502 . 1 . 1 49 49 LYS HB3 H 1 1.693 0.01 . 1 . . 345 . . 49 LYS HB3 . 50842 1 503 . 1 . 1 49 49 LYS C C 13 177.569 0.001 . 1 . . 344 . . 49 LYS C . 50842 1 504 . 1 . 1 49 49 LYS CA C 13 58.366 0.094 . 1 . . 348 . . 49 LYS CA . 50842 1 505 . 1 . 1 49 49 LYS CB C 13 32.779 0.046 . 1 . . 346 . . 49 LYS CB . 50842 1 506 . 1 . 1 49 49 LYS CG C 13 25.275 . . 1 . . 350 . . 49 LYS CG . 50842 1 507 . 1 . 1 49 49 LYS CD C 13 29.281 . . 1 . . 342 . . 49 LYS CD . 50842 1 508 . 1 . 1 49 49 LYS CE C 13 42.118 0.02 . 1 . . 351 . . 49 LYS CE . 50842 1 509 . 1 . 1 49 49 LYS N N 15 118.704 0.063 . 1 . . 810 . . 49 LYS N . 50842 1 510 . 1 . 1 50 50 HIS H H 1 7.316 0.005 . 1 . . 497 . . 50 HIS H . 50842 1 511 . 1 . 1 50 50 HIS HA H 1 4.196 0.01 . 1 . . 491 . . 50 HIS HA . 50842 1 512 . 1 . 1 50 50 HIS HB2 H 1 2.849 0.024 . 1 . . 495 . . 50 HIS HB2 . 50842 1 513 . 1 . 1 50 50 HIS HB3 H 1 2.862 0.021 . 1 . . 493 . . 50 HIS HB3 . 50842 1 514 . 1 . 1 50 50 HIS C C 13 176.848 . . 1 . . 492 . . 50 HIS C . 50842 1 515 . 1 . 1 50 50 HIS CA C 13 58.834 0.081 . 1 . . 496 . . 50 HIS CA . 50842 1 516 . 1 . 1 50 50 HIS CB C 13 29.074 0.004 . 1 . . 494 . . 50 HIS CB . 50842 1 517 . 1 . 1 50 50 HIS N N 15 117.984 0.031 . 1 . . 805 . . 50 HIS N . 50842 1 518 . 1 . 1 51 51 ILE H H 1 8.078 0.006 . 1 . . 326 . . 51 ILE H . 50842 1 519 . 1 . 1 51 51 ILE HA H 1 3.588 0.02 . 1 . . 320 . . 51 ILE HA . 50842 1 520 . 1 . 1 51 51 ILE HB H 1 1.968 0.006 . 1 . . 328 . . 51 ILE HB . 50842 1 521 . 1 . 1 51 51 ILE HG12 H 1 1.236 0.008 . 1 . . 803 . . 51 ILE HG12 . 50842 1 522 . 1 . 1 51 51 ILE HG13 H 1 1.236 0.008 . 1 . . 325 . . 51 ILE HG13 . 50842 1 523 . 1 . 1 51 51 ILE HG21 H 1 1.180 0.009 . 1 . . 323 . . 51 ILE HG21 . 50842 1 524 . 1 . 1 51 51 ILE HG22 H 1 1.180 0.009 . 1 . . 323 . . 51 ILE HG22 . 50842 1 525 . 1 . 1 51 51 ILE HG23 H 1 1.180 0.009 . 1 . . 323 . . 51 ILE HG23 . 50842 1 526 . 1 . 1 51 51 ILE HD11 H 1 0.943 0.002 . 1 . . 321 . . 51 ILE HD11 . 50842 1 527 . 1 . 1 51 51 ILE HD12 H 1 0.943 0.002 . 1 . . 321 . . 51 ILE HD12 . 50842 1 528 . 1 . 1 51 51 ILE HD13 H 1 0.943 0.002 . 1 . . 321 . . 51 ILE HD13 . 50842 1 529 . 1 . 1 51 51 ILE C C 13 176.897 . . 1 . . 322 . . 51 ILE C . 50842 1 530 . 1 . 1 51 51 ILE CA C 13 65.419 0.029 . 1 . . 324 . . 51 ILE CA . 50842 1 531 . 1 . 1 51 51 ILE CB C 13 38.464 0.117 . 1 . . 518 . . 51 ILE CB . 50842 1 532 . 1 . 1 51 51 ILE CG1 C 13 28.241 . . 1 . . 319 . . 51 ILE CG1 . 50842 1 533 . 1 . 1 51 51 ILE CG2 C 13 18.312 0.124 . 1 . . 327 . . 51 ILE CG2 . 50842 1 534 . 1 . 1 51 51 ILE CD1 C 13 14.551 0.07 . 1 . . 318 . . 51 ILE CD1 . 50842 1 535 . 1 . 1 51 51 ILE N N 15 113.406 0.053 . 1 . . 812 . . 51 ILE N . 50842 1 536 . 1 . 1 52 52 ILE H H 1 6.659 0.006 . 1 . . 335 . . 52 ILE H . 50842 1 537 . 1 . 1 52 52 ILE HA H 1 3.880 0.012 . 1 . . 331 . . 52 ILE HA . 50842 1 538 . 1 . 1 52 52 ILE HB H 1 1.856 0.005 . 1 . . 340 . . 52 ILE HB . 50842 1 539 . 1 . 1 52 52 ILE HG12 H 1 1.291 0.008 . 1 . . 338 . . 52 ILE HG12 . 50842 1 540 . 1 . 1 52 52 ILE HG13 H 1 1.291 0.008 . 1 . . 341 . . 52 ILE HG13 . 50842 1 541 . 1 . 1 52 52 ILE HG21 H 1 0.831 0.004 . 1 . . 334 . . 52 ILE HG21 . 50842 1 542 . 1 . 1 52 52 ILE HG22 H 1 0.831 0.004 . 1 . . 334 . . 52 ILE HG22 . 50842 1 543 . 1 . 1 52 52 ILE HG23 H 1 0.831 0.004 . 1 . . 334 . . 52 ILE HG23 . 50842 1 544 . 1 . 1 52 52 ILE HD11 H 1 0.745 0.006 . 1 . . 332 . . 52 ILE HD11 . 50842 1 545 . 1 . 1 52 52 ILE HD12 H 1 0.745 0.006 . 1 . . 332 . . 52 ILE HD12 . 50842 1 546 . 1 . 1 52 52 ILE HD13 H 1 0.745 0.006 . 1 . . 332 . . 52 ILE HD13 . 50842 1 547 . 1 . 1 52 52 ILE C C 13 178.100 0.002 . 1 . . 333 . . 52 ILE C . 50842 1 548 . 1 . 1 52 52 ILE CA C 13 62.816 0.067 . 1 . . 336 . . 52 ILE CA . 50842 1 549 . 1 . 1 52 52 ILE CB C 13 37.864 0.024 . 1 . . 337 . . 52 ILE CB . 50842 1 550 . 1 . 1 52 52 ILE CG1 C 13 27.641 0.018 . 1 . . 330 . . 52 ILE CG1 . 50842 1 551 . 1 . 1 52 52 ILE CG2 C 13 17.978 0.066 . 1 . . 339 . . 52 ILE CG2 . 50842 1 552 . 1 . 1 52 52 ILE CD1 C 13 13.326 0.026 . 1 . . 329 . . 52 ILE CD1 . 50842 1 553 . 1 . 1 52 52 ILE N N 15 117.506 0.073 . 1 . . 807 . . 52 ILE N . 50842 1 554 . 1 . 1 53 53 ILE H H 1 7.722 0.003 . 1 . . 390 . . 53 ILE H . 50842 1 555 . 1 . 1 53 53 ILE HA H 1 3.895 0.008 . 1 . . 315 . . 53 ILE HA . 50842 1 556 . 1 . 1 53 53 ILE HB H 1 1.836 0.006 . 1 . . 385 . . 53 ILE HB . 50842 1 557 . 1 . 1 53 53 ILE HG12 H 1 0.826 . . 1 . . 393 . . 53 ILE HG12 . 50842 1 558 . 1 . 1 53 53 ILE HG13 H 1 1.668 0.022 . 1 . . 317 . . 53 ILE HG13 . 50842 1 559 . 1 . 1 53 53 ILE HG21 H 1 0.499 0.001 . 1 . . 389 . . 53 ILE HG21 . 50842 1 560 . 1 . 1 53 53 ILE HG22 H 1 0.499 0.001 . 1 . . 389 . . 53 ILE HG22 . 50842 1 561 . 1 . 1 53 53 ILE HG23 H 1 0.499 0.001 . 1 . . 389 . . 53 ILE HG23 . 50842 1 562 . 1 . 1 53 53 ILE HD11 H 1 0.629 0.001 . 1 . . 387 . . 53 ILE HD11 . 50842 1 563 . 1 . 1 53 53 ILE HD12 H 1 0.629 0.001 . 1 . . 387 . . 53 ILE HD12 . 50842 1 564 . 1 . 1 53 53 ILE HD13 H 1 0.629 0.001 . 1 . . 387 . . 53 ILE HD13 . 50842 1 565 . 1 . 1 53 53 ILE C C 13 177.209 . . 1 . . 388 . . 53 ILE C . 50842 1 566 . 1 . 1 53 53 ILE CA C 13 63.205 0.02 . 1 . . 391 . . 53 ILE CA . 50842 1 567 . 1 . 1 53 53 ILE CB C 13 37.542 0.027 . 1 . . 392 . . 53 ILE CB . 50842 1 568 . 1 . 1 53 53 ILE CG1 C 13 26.494 0.032 . 1 . . 316 . . 53 ILE CG1 . 50842 1 569 . 1 . 1 53 53 ILE CG2 C 13 16.425 0.019 . 1 . . 386 . . 53 ILE CG2 . 50842 1 570 . 1 . 1 53 53 ILE CD1 C 13 14.401 0.036 . 1 . . 384 . . 53 ILE CD1 . 50842 1 571 . 1 . 1 53 53 ILE N N 15 118.835 0.023 . 1 . . 824 . . 53 ILE N . 50842 1 572 . 1 . 1 54 54 HIS H H 1 7.325 0.005 . 1 . . 488 . . 54 HIS H . 50842 1 573 . 1 . 1 54 54 HIS HA H 1 4.795 0.014 . 1 . . 484 . . 54 HIS HA . 50842 1 574 . 1 . 1 54 54 HIS HB2 H 1 3.240 0.023 . 2 . . 489 . . 54 HIS HB2 . 50842 1 575 . 1 . 1 54 54 HIS HB3 H 1 3.240 0.023 . 2 . . 490 . . 54 HIS HB3 . 50842 1 576 . 1 . 1 54 54 HIS C C 13 175.607 . . 1 . . 485 . . 54 HIS C . 50842 1 577 . 1 . 1 54 54 HIS CA C 13 55.061 0.113 . 1 . . 487 . . 54 HIS CA . 50842 1 578 . 1 . 1 54 54 HIS CB C 13 28.447 0.023 . 1 . . 486 . . 54 HIS CB . 50842 1 579 . 1 . 1 54 54 HIS N N 15 117.239 0.072 . 1 . . 817 . . 54 HIS N . 50842 1 580 . 1 . 1 55 55 THR H H 1 7.730 0.003 . 1 . . 285 . . 55 THR H . 50842 1 581 . 1 . 1 55 55 THR HA H 1 4.207 0.011 . 1 . . 286 . . 55 THR HA . 50842 1 582 . 1 . 1 55 55 THR HB H 1 4.213 0.003 . 1 . . 287 . . 55 THR HB . 50842 1 583 . 1 . 1 55 55 THR HG21 H 1 1.171 0.01 . 1 . . 282 . . 55 THR HG21 . 50842 1 584 . 1 . 1 55 55 THR HG22 H 1 1.171 0.01 . 1 . . 282 . . 55 THR HG22 . 50842 1 585 . 1 . 1 55 55 THR HG23 H 1 1.171 0.01 . 1 . . 282 . . 55 THR HG23 . 50842 1 586 . 1 . 1 55 55 THR C C 13 175.313 0.0 . 1 . . 281 . . 55 THR C . 50842 1 587 . 1 . 1 55 55 THR CA C 13 63.174 0.059 . 1 . . 284 . . 55 THR CA . 50842 1 588 . 1 . 1 55 55 THR CB C 13 69.814 0.057 . 1 . . 283 . . 55 THR CB . 50842 1 589 . 1 . 1 55 55 THR CG2 C 13 21.567 0.019 . 1 . . 280 . . 55 THR CG2 . 50842 1 590 . 1 . 1 55 55 THR N N 15 112.831 0.049 . 1 . . 828 . . 55 THR N . 50842 1 591 . 1 . 1 56 56 GLY H H 1 8.363 0.005 . 1 . . 255 . . 56 GLY H . 50842 1 592 . 1 . 1 56 56 GLY HA2 H 1 4.695 0.006 . 1 . . 804 . . 56 GLY HA2 . 50842 1 593 . 1 . 1 56 56 GLY HA3 H 1 3.910 0.006 . 1 . . 253 . . 56 GLY HA3 . 50842 1 594 . 1 . 1 56 56 GLY C C 13 174.018 . . 1 . . 256 . . 56 GLY C . 50842 1 595 . 1 . 1 56 56 GLY CA C 13 45.307 0.017 . 1 . . 254 . . 56 GLY CA . 50842 1 596 . 1 . 1 56 56 GLY N N 15 111.177 0.071 . 1 . . 252 . . 56 GLY N . 50842 1 597 . 1 . 1 57 57 GLU H H 1 7.960 0.007 . 1 . . 72 . . 57 GLU H . 50842 1 598 . 1 . 1 57 57 GLU HA H 1 4.153 0.016 . 1 . . 65 . . 57 GLU HA . 50842 1 599 . 1 . 1 57 57 GLU HB2 H 1 1.924 0.011 . 1 . . 70 . . 57 GLU HB2 . 50842 1 600 . 1 . 1 57 57 GLU HB3 H 1 1.923 0.012 . 1 . . 68 . . 57 GLU HB3 . 50842 1 601 . 1 . 1 57 57 GLU HG2 H 1 2.188 0.005 . 1 . . 73 . . 57 GLU HG2 . 50842 1 602 . 1 . 1 57 57 GLU HG3 H 1 2.185 0.008 . 1 . . 74 . . 57 GLU HG3 . 50842 1 603 . 1 . 1 57 57 GLU C C 13 176.133 . . 1 . . 66 . . 57 GLU C . 50842 1 604 . 1 . 1 57 57 GLU CA C 13 56.650 0.041 . 1 . . 71 . . 57 GLU CA . 50842 1 605 . 1 . 1 57 57 GLU CB C 13 30.330 0.041 . 1 . . 69 . . 57 GLU CB . 50842 1 606 . 1 . 1 57 57 GLU CG C 13 36.075 0.083 . 1 . . 67 . . 57 GLU CG . 50842 1 607 . 1 . 1 57 57 GLU N N 15 120.048 0.046 . 1 . . 64 . . 57 GLU N . 50842 1 608 . 1 . 1 58 58 LYS H H 1 8.191 0.004 . 1 . . 35 . . 58 LYS H . 50842 1 609 . 1 . 1 58 58 LYS HA H 1 4.329 0.01 . 1 . . 40 . . 58 LYS HA . 50842 1 610 . 1 . 1 58 58 LYS HB2 H 1 1.776 . . 1 . . 36 . . 58 LYS HB2 . 50842 1 611 . 1 . 1 58 58 LYS HB3 H 1 1.776 . . 1 . . 34 . . 58 LYS HB3 . 50842 1 612 . 1 . 1 58 58 LYS HG2 H 1 1.504 0.007 . 1 . . 39 . . 58 LYS HG2 . 50842 1 613 . 1 . 1 58 58 LYS HG3 H 1 1.504 0.007 . 1 . . 41 . . 58 LYS HG3 . 50842 1 614 . 1 . 1 58 58 LYS HE2 H 1 2.753 . . 2 . . 31 . . 58 LYS HE2 . 50842 1 615 . 1 . 1 58 58 LYS HE3 H 1 3.121 0.015 . 2 . . 32 . . 58 LYS HE3 . 50842 1 616 . 1 . 1 58 58 LYS CA C 13 53.799 0.018 . 1 . . 37 . . 58 LYS CA . 50842 1 617 . 1 . 1 58 58 LYS CB C 13 32.597 0.087 . 1 . . 38 . . 58 LYS CB . 50842 1 618 . 1 . 1 58 58 LYS N N 15 121.626 0.069 . 1 . . 30 . . 58 LYS N . 50842 1 619 . 1 . 1 59 59 PRO C C 13 176.169 0.001 . 1 . . 311 . . 59 PRO C . 50842 1 620 . 1 . 1 59 59 PRO CA C 13 63.576 0.034 . 1 . . 313 . . 59 PRO CA . 50842 1 621 . 1 . 1 59 59 PRO CB C 13 32.059 0.054 . 1 . . 312 . . 59 PRO CB . 50842 1 622 . 1 . 1 59 59 PRO CG C 13 26.916 0.021 . 1 . . 314 . . 59 PRO CG . 50842 1 623 . 1 . 1 59 59 PRO CD C 13 50.383 . . 1 . . 310 . . 59 PRO CD . 50842 1 624 . 1 . 1 60 60 TYR H H 1 7.777 0.002 . 1 . . 172 . . 60 TYR H . 50842 1 625 . 1 . 1 60 60 TYR HA H 1 4.642 0.017 . 1 . . 165 . . 60 TYR HA . 50842 1 626 . 1 . 1 60 60 TYR HB2 H 1 2.765 0.008 . 1 . . 170 . . 60 TYR HB2 . 50842 1 627 . 1 . 1 60 60 TYR HB3 H 1 2.765 0.008 . 1 . . 168 . . 60 TYR HB3 . 50842 1 628 . 1 . 1 60 60 TYR HD1 H 1 6.901 0.009 . 1 . . 167 . . 60 TYR HD1 . 50842 1 629 . 1 . 1 60 60 TYR HD2 H 1 6.901 0.009 . 1 . . 167 . . 60 TYR HD2 . 50842 1 630 . 1 . 1 60 60 TYR C C 13 174.484 . . 1 . . 166 . . 60 TYR C . 50842 1 631 . 1 . 1 60 60 TYR CA C 13 57.189 0.068 . 1 . . 171 . . 60 TYR CA . 50842 1 632 . 1 . 1 60 60 TYR CB C 13 38.755 0.096 . 1 . . 169 . . 60 TYR CB . 50842 1 633 . 1 . 1 60 60 TYR N N 15 117.299 0.045 . 1 . . 164 . . 60 TYR N . 50842 1 634 . 1 . 1 61 61 LEU H H 1 8.458 0.009 . 1 . . 307 . . 61 LEU H . 50842 1 635 . 1 . 1 61 61 LEU HA H 1 4.908 0.009 . 1 . . 298 . . 61 LEU HA . 50842 1 636 . 1 . 1 61 61 LEU HB2 H 1 1.395 0.016 . 1 . . 305 . . 61 LEU HB2 . 50842 1 637 . 1 . 1 61 61 LEU HB3 H 1 1.513 0.015 . 1 . . 303 . . 61 LEU HB3 . 50842 1 638 . 1 . 1 61 61 LEU HD11 H 1 0.692 0.011 . 1 . . 300 . . 61 LEU HD11 . 50842 1 639 . 1 . 1 61 61 LEU HD12 H 1 0.692 0.011 . 1 . . 300 . . 61 LEU HD12 . 50842 1 640 . 1 . 1 61 61 LEU HD13 H 1 0.692 0.011 . 1 . . 300 . . 61 LEU HD13 . 50842 1 641 . 1 . 1 61 61 LEU HD21 H 1 0.698 0.012 . 1 . . 301 . . 61 LEU HD21 . 50842 1 642 . 1 . 1 61 61 LEU HD22 H 1 0.698 0.012 . 1 . . 301 . . 61 LEU HD22 . 50842 1 643 . 1 . 1 61 61 LEU HD23 H 1 0.698 0.012 . 1 . . 301 . . 61 LEU HD23 . 50842 1 644 . 1 . 1 61 61 LEU C C 13 176.384 . . 1 . . 302 . . 61 LEU C . 50842 1 645 . 1 . 1 61 61 LEU CA C 13 53.828 0.057 . 1 . . 306 . . 61 LEU CA . 50842 1 646 . 1 . 1 61 61 LEU CB C 13 44.542 0.082 . 1 . . 304 . . 61 LEU CB . 50842 1 647 . 1 . 1 61 61 LEU CG C 13 26.934 . . 1 . . 308 . . 61 LEU CG . 50842 1 648 . 1 . 1 61 61 LEU CD1 C 13 24.980 0.012 . 1 . . 297 . . 61 LEU CD1 . 50842 1 649 . 1 . 1 61 61 LEU CD2 C 13 24.214 0.149 . 1 . . 299 . . 61 LEU CD2 . 50842 1 650 . 1 . 1 61 61 LEU N N 15 124.668 0.065 . 1 . . 296 . . 61 LEU N . 50842 1 651 . 1 . 1 62 62 CYS H H 1 9.036 0.006 . 1 . . 158 . . 62 CYS H . 50842 1 652 . 1 . 1 62 62 CYS HA H 1 4.430 0.011 . 1 . . 156 . . 62 CYS HA . 50842 1 653 . 1 . 1 62 62 CYS HB2 H 1 3.313 0.011 . 2 . . 161 . . 62 CYS HB2 . 50842 1 654 . 1 . 1 62 62 CYS HB3 H 1 2.777 0.011 . 2 . . 162 . . 62 CYS HB3 . 50842 1 655 . 1 . 1 62 62 CYS C C 13 176.892 . . 1 . . 157 . . 62 CYS C . 50842 1 656 . 1 . 1 62 62 CYS CA C 13 59.594 0.079 . 1 . . 159 . . 62 CYS CA . 50842 1 657 . 1 . 1 62 62 CYS CB C 13 29.440 0.04 . 1 . . 160 . . 62 CYS CB . 50842 1 658 . 1 . 1 62 62 CYS N N 15 124.739 0.053 . 1 . . 155 . . 62 CYS N . 50842 1 659 . 1 . 1 63 63 ASP H H 1 8.933 0.003 . 1 . . 264 . . 63 ASP H . 50842 1 660 . 1 . 1 63 63 ASP HA H 1 4.341 0.007 . 1 . . 258 . . 63 ASP HA . 50842 1 661 . 1 . 1 63 63 ASP HB2 H 1 2.715 0.016 . 1 . . 262 . . 63 ASP HB2 . 50842 1 662 . 1 . 1 63 63 ASP HB3 H 1 2.714 0.017 . 1 . . 260 . . 63 ASP HB3 . 50842 1 663 . 1 . 1 63 63 ASP C C 13 176.006 . . 1 . . 259 . . 63 ASP C . 50842 1 664 . 1 . 1 63 63 ASP CA C 13 55.929 0.03 . 1 . . 263 . . 63 ASP CA . 50842 1 665 . 1 . 1 63 63 ASP CB C 13 40.307 0.065 . 1 . . 261 . . 63 ASP CB . 50842 1 666 . 1 . 1 63 63 ASP N N 15 130.913 0.037 . 1 . . 257 . . 63 ASP N . 50842 1 667 . 1 . 1 64 64 LYS H H 1 8.684 0.003 . 1 . . 94 . . 64 LYS H . 50842 1 668 . 1 . 1 64 64 LYS HA H 1 4.240 0.014 . 1 . . 96 . . 64 LYS HA . 50842 1 669 . 1 . 1 64 64 LYS HB2 H 1 1.155 0.014 . 1 . . 92 . . 64 LYS HB2 . 50842 1 670 . 1 . 1 64 64 LYS HB3 H 1 1.155 0.014 . 1 . . 90 . . 64 LYS HB3 . 50842 1 671 . 1 . 1 64 64 LYS HG2 H 1 1.119 0.018 . 1 . . 89 . . 64 LYS HG2 . 50842 1 672 . 1 . 1 64 64 LYS HG3 H 1 0.688 0.01 . 1 . . 97 . . 64 LYS HG3 . 50842 1 673 . 1 . 1 64 64 LYS HE2 H 1 2.801 0.013 . 1 . . 86 . . 64 LYS HE2 . 50842 1 674 . 1 . 1 64 64 LYS HE3 H 1 2.801 0.013 . 1 . . 87 . . 64 LYS HE3 . 50842 1 675 . 1 . 1 64 64 LYS C C 13 177.387 . . 1 . . 88 . . 64 LYS C . 50842 1 676 . 1 . 1 64 64 LYS CA C 13 57.455 0.048 . 1 . . 93 . . 64 LYS CA . 50842 1 677 . 1 . 1 64 64 LYS CB C 13 32.219 0.036 . 1 . . 91 . . 64 LYS CB . 50842 1 678 . 1 . 1 64 64 LYS CG C 13 25.026 0.028 . 1 . . 95 . . 64 LYS CG . 50842 1 679 . 1 . 1 64 64 LYS CD C 13 28.712 0.052 . 1 . . 84 . . 64 LYS CD . 50842 1 680 . 1 . 1 64 64 LYS CE C 13 41.999 0.013 . 1 . . 98 . . 64 LYS CE . 50842 1 681 . 1 . 1 64 64 LYS N N 15 120.250 0.028 . 1 . . 85 . . 64 LYS N . 50842 1 682 . 1 . 1 65 65 CYS H H 1 7.995 0.005 . 1 . . 47 . . 65 CYS H . 50842 1 683 . 1 . 1 65 65 CYS HA H 1 5.137 0.005 . 1 . . 43 . . 65 CYS HA . 50842 1 684 . 1 . 1 65 65 CYS HB2 H 1 3.347 0.017 . 2 . . 48 . . 65 CYS HB2 . 50842 1 685 . 1 . 1 65 65 CYS HB3 H 1 2.936 0.01 . 2 . . 49 . . 65 CYS HB3 . 50842 1 686 . 1 . 1 65 65 CYS C C 13 175.914 . . 1 . . 44 . . 65 CYS C . 50842 1 687 . 1 . 1 65 65 CYS CA C 13 58.489 0.071 . 1 . . 46 . . 65 CYS CA . 50842 1 688 . 1 . 1 65 65 CYS CB C 13 32.577 0.059 . 1 . . 45 . . 65 CYS CB . 50842 1 689 . 1 . 1 65 65 CYS N N 15 115.284 0.042 . 1 . . 42 . . 65 CYS N . 50842 1 690 . 1 . 1 66 66 GLY H H 1 8.221 0.012 . 1 . . 54 . . 66 GLY H . 50842 1 691 . 1 . 1 66 66 GLY HA2 H 1 3.776 0.014 . 2 . . 52 . . 66 GLY HA2 . 50842 1 692 . 1 . 1 66 66 GLY HA3 H 1 4.173 0.017 . 2 . . 53 . . 66 GLY HA3 . 50842 1 693 . 1 . 1 66 66 GLY C C 13 173.229 . . 1 . . 51 . . 66 GLY C . 50842 1 694 . 1 . 1 66 66 GLY CA C 13 46.295 0.024 . 1 . . 55 . . 66 GLY CA . 50842 1 695 . 1 . 1 66 66 GLY N N 15 113.223 0.035 . 1 . . 50 . . 66 GLY N . 50842 1 696 . 1 . 1 67 67 ARG H H 1 7.889 0.005 . 1 . . 8 . . 67 ARG H . 50842 1 697 . 1 . 1 67 67 ARG HA H 1 4.196 0.012 . 1 . . 4 . . 67 ARG HA . 50842 1 698 . 1 . 1 67 67 ARG HB2 H 1 1.638 0.01 . 1 . . 9 . . 67 ARG HB2 . 50842 1 699 . 1 . 1 67 67 ARG HB3 H 1 1.638 0.011 . 1 . . 7 . . 67 ARG HB3 . 50842 1 700 . 1 . 1 67 67 ARG HG2 H 1 1.305 0.004 . 1 . . 12 . . 67 ARG HG2 . 50842 1 701 . 1 . 1 67 67 ARG HG3 H 1 1.305 0.004 . 1 . . 13 . . 67 ARG HG3 . 50842 1 702 . 1 . 1 67 67 ARG C C 13 174.447 0.004 . 1 . . 5 . . 67 ARG C . 50842 1 703 . 1 . 1 67 67 ARG CA C 13 57.506 0.022 . 1 . . 10 . . 67 ARG CA . 50842 1 704 . 1 . 1 67 67 ARG CB C 13 31.285 0.077 . 1 . . 11 . . 67 ARG CB . 50842 1 705 . 1 . 1 67 67 ARG CG C 13 28.019 0.014 . 1 . . 6 . . 67 ARG CG . 50842 1 706 . 1 . 1 67 67 ARG CD C 13 43.528 . . 1 . . 3 . . 67 ARG CD . 50842 1 707 . 1 . 1 67 67 ARG N N 15 121.575 0.068 . 1 . . 2 . . 67 ARG N . 50842 1 708 . 1 . 1 68 68 GLY H H 1 7.915 0.004 . 1 . . 28 . . 68 GLY H . 50842 1 709 . 1 . 1 68 68 GLY HA2 H 1 4.964 0.007 . 2 . . 26 . . 68 GLY HA2 . 50842 1 710 . 1 . 1 68 68 GLY HA3 H 1 3.222 0.016 . 2 . . 27 . . 68 GLY HA3 . 50842 1 711 . 1 . 1 68 68 GLY C C 13 172.564 . . 1 . . 29 . . 68 GLY C . 50842 1 712 . 1 . 1 68 68 GLY CA C 13 44.168 0.073 . 1 . . 25 . . 68 GLY CA . 50842 1 713 . 1 . 1 68 68 GLY N N 15 108.248 0.054 . 1 . . 24 . . 68 GLY N . 50842 1 714 . 1 . 1 69 69 PHE H H 1 8.756 0.005 . 1 . . 125 . . 69 PHE H . 50842 1 715 . 1 . 1 69 69 PHE HA H 1 4.629 0.01 . 1 . . 121 . . 69 PHE HA . 50842 1 716 . 1 . 1 69 69 PHE HB2 H 1 2.615 0.017 . 2 . . 128 . . 69 PHE HB2 . 50842 1 717 . 1 . 1 69 69 PHE HB3 H 1 3.345 0.011 . 2 . . 129 . . 69 PHE HB3 . 50842 1 718 . 1 . 1 69 69 PHE HD1 H 1 7.199 0.014 . 1 . . 123 . . 69 PHE HD1 . 50842 1 719 . 1 . 1 69 69 PHE HD2 H 1 7.199 0.014 . 1 . . 123 . . 69 PHE HD2 . 50842 1 720 . 1 . 1 69 69 PHE HE1 H 1 7.767 0.036 . 1 . . 124 . . 69 PHE HE1 . 50842 1 721 . 1 . 1 69 69 PHE HE2 H 1 7.767 0.036 . 1 . . 124 . . 69 PHE HE2 . 50842 1 722 . 1 . 1 69 69 PHE C C 13 174.771 . . 1 . . 122 . . 69 PHE C . 50842 1 723 . 1 . 1 69 69 PHE CA C 13 57.267 0.064 . 1 . . 126 . . 69 PHE CA . 50842 1 724 . 1 . 1 69 69 PHE CB C 13 43.491 0.065 . 1 . . 127 . . 69 PHE CB . 50842 1 725 . 1 . 1 69 69 PHE N N 15 117.781 0.058 . 1 . . 120 . . 69 PHE N . 50842 1 726 . 1 . 1 70 70 ASN H H 1 9.178 0.011 . 1 . . 113 . . 70 ASN H . 50842 1 727 . 1 . 1 70 70 ASN HA H 1 4.890 0.013 . 1 . . 110 . . 70 ASN HA . 50842 1 728 . 1 . 1 70 70 ASN HB2 H 1 2.911 0.012 . 1 . . 109 . . 70 ASN HB2 . 50842 1 729 . 1 . 1 70 70 ASN HB3 H 1 2.913 0.014 . 1 . . 112 . . 70 ASN HB3 . 50842 1 730 . 1 . 1 70 70 ASN HD21 H 1 7.673 0.003 . 1 . . 114 . . 70 ASN HD21 . 50842 1 731 . 1 . 1 70 70 ASN HD22 H 1 6.939 0.015 . 1 . . 115 . . 70 ASN HD22 . 50842 1 732 . 1 . 1 70 70 ASN C C 13 174.878 . . 1 . . 111 . . 70 ASN C . 50842 1 733 . 1 . 1 70 70 ASN CA C 13 54.397 0.051 . 1 . . 116 . . 70 ASN CA . 50842 1 734 . 1 . 1 70 70 ASN CB C 13 39.684 0.057 . 1 . . 117 . . 70 ASN CB . 50842 1 735 . 1 . 1 70 70 ASN N N 15 119.222 0.045 . 1 . . 108 . . 70 ASN N . 50842 1 736 . 1 . 1 70 70 ASN ND2 N 15 112.119 0.044 . 1 . . 118 . . 70 ASN ND2 . 50842 1 737 . 1 . 1 71 71 ARG H H 1 7.545 0.008 . 1 . . 271 . . 71 ARG H . 50842 1 738 . 1 . 1 71 71 ARG HA H 1 4.793 0.014 . 1 . . 267 . . 71 ARG HA . 50842 1 739 . 1 . 1 71 71 ARG HB2 H 1 2.103 0.011 . 1 . . 273 . . 71 ARG HB2 . 50842 1 740 . 1 . 1 71 71 ARG HB3 H 1 2.104 0.011 . 1 . . 270 . . 71 ARG HB3 . 50842 1 741 . 1 . 1 71 71 ARG HG2 H 1 1.683 0.011 . 1 . . 277 . . 71 ARG HG2 . 50842 1 742 . 1 . 1 71 71 ARG HG3 H 1 1.684 0.011 . 1 . . 278 . . 71 ARG HG3 . 50842 1 743 . 1 . 1 71 71 ARG HD2 H 1 3.247 0.02 . 1 . . 275 . . 71 ARG HD2 . 50842 1 744 . 1 . 1 71 71 ARG HD3 H 1 3.266 0.019 . 1 . . 272 . . 71 ARG HD3 . 50842 1 745 . 1 . 1 71 71 ARG C C 13 176.859 0.003 . 1 . . 268 . . 71 ARG C . 50842 1 746 . 1 . 1 71 71 ARG CA C 13 54.391 0.028 . 1 . . 274 . . 71 ARG CA . 50842 1 747 . 1 . 1 71 71 ARG CB C 13 34.260 0.056 . 1 . . 276 . . 71 ARG CB . 50842 1 748 . 1 . 1 71 71 ARG CG C 13 27.132 0.026 . 1 . . 269 . . 71 ARG CG . 50842 1 749 . 1 . 1 71 71 ARG CD C 13 43.531 0.072 . 1 . . 265 . . 71 ARG CD . 50842 1 750 . 1 . 1 71 71 ARG N N 15 116.518 0.053 . 1 . . 266 . . 71 ARG N . 50842 1 751 . 1 . 1 72 72 VAL H H 1 8.529 0.002 . 1 . . 193 . . 72 VAL H . 50842 1 752 . 1 . 1 72 72 VAL HA H 1 3.032 0.025 . 1 . . 187 . . 72 VAL HA . 50842 1 753 . 1 . 1 72 72 VAL HB H 1 1.260 0.019 . 1 . . 194 . . 72 VAL HB . 50842 1 754 . 1 . 1 72 72 VAL HG11 H 1 0.597 0.02 . 2 . . 195 . . 72 VAL HG11 . 50842 1 755 . 1 . 1 72 72 VAL HG12 H 1 0.597 0.02 . 2 . . 195 . . 72 VAL HG12 . 50842 1 756 . 1 . 1 72 72 VAL HG13 H 1 0.597 0.02 . 2 . . 195 . . 72 VAL HG13 . 50842 1 757 . 1 . 1 72 72 VAL HG21 H 1 0.629 0.024 . 2 . . 196 . . 72 VAL HG21 . 50842 1 758 . 1 . 1 72 72 VAL HG22 H 1 0.629 0.024 . 2 . . 196 . . 72 VAL HG22 . 50842 1 759 . 1 . 1 72 72 VAL HG23 H 1 0.629 0.024 . 2 . . 196 . . 72 VAL HG23 . 50842 1 760 . 1 . 1 72 72 VAL C C 13 176.885 . . 1 . . 188 . . 72 VAL C . 50842 1 761 . 1 . 1 72 72 VAL CA C 13 65.273 0.115 . 1 . . 192 . . 72 VAL CA . 50842 1 762 . 1 . 1 72 72 VAL CB C 13 31.167 0.034 . 1 . . 191 . . 72 VAL CB . 50842 1 763 . 1 . 1 72 72 VAL CG1 C 13 22.027 0.013 . 2 . . 190 . . 72 VAL CG1 . 50842 1 764 . 1 . 1 72 72 VAL CG2 C 13 19.825 0.007 . 2 . . 189 . . 72 VAL CG2 . 50842 1 765 . 1 . 1 72 72 VAL N N 15 126.089 0.053 . 1 . . 186 . . 72 VAL N . 50842 1 766 . 1 . 1 73 73 ASP H H 1 8.588 0.01 . 1 . . 79 . . 73 ASP H . 50842 1 767 . 1 . 1 73 73 ASP HA H 1 4.128 0.003 . 1 . . 76 . . 73 ASP HA . 50842 1 768 . 1 . 1 73 73 ASP HB2 H 1 2.580 0.005 . 1 . . 80 . . 73 ASP HB2 . 50842 1 769 . 1 . 1 73 73 ASP HB3 H 1 2.580 0.005 . 1 . . 78 . . 73 ASP HB3 . 50842 1 770 . 1 . 1 73 73 ASP C C 13 178.677 . . 1 . . 77 . . 73 ASP C . 50842 1 771 . 1 . 1 73 73 ASP CA C 13 56.704 0.046 . 1 . . 81 . . 73 ASP CA . 50842 1 772 . 1 . 1 73 73 ASP CB C 13 39.153 0.032 . 1 . . 82 . . 73 ASP CB . 50842 1 773 . 1 . 1 73 73 ASP N N 15 119.543 0.044 . 1 . . 75 . . 73 ASP N . 50842 1 774 . 1 . 1 74 74 ASN H H 1 7.133 0.007 . 1 . . 183 . . 74 ASN H . 50842 1 775 . 1 . 1 74 74 ASN HA H 1 4.497 0.019 . 1 . . 184 . . 74 ASN HA . 50842 1 776 . 1 . 1 74 74 ASN HB2 H 1 2.895 0.018 . 1 . . 181 . . 74 ASN HB2 . 50842 1 777 . 1 . 1 74 74 ASN HB3 H 1 2.895 0.018 . 1 . . 179 . . 74 ASN HB3 . 50842 1 778 . 1 . 1 74 74 ASN HD21 H 1 8.032 0.014 . 1 . . 175 . . 74 ASN HD21 . 50842 1 779 . 1 . 1 74 74 ASN HD22 H 1 7.152 0.003 . 1 . . 176 . . 74 ASN HD22 . 50842 1 780 . 1 . 1 74 74 ASN C C 13 177.282 . . 1 . . 178 . . 74 ASN C . 50842 1 781 . 1 . 1 74 74 ASN CA C 13 54.989 0.028 . 1 . . 182 . . 74 ASN CA . 50842 1 782 . 1 . 1 74 74 ASN CB C 13 38.121 0.105 . 1 . . 180 . . 74 ASN CB . 50842 1 783 . 1 . 1 74 74 ASN N N 15 117.974 0.052 . 1 . . 174 . . 74 ASN N . 50842 1 784 . 1 . 1 74 74 ASN ND2 N 15 112.431 0.055 . 1 . . 177 . . 74 ASN ND2 . 50842 1 785 . 1 . 1 75 75 LEU H H 1 6.951 0.008 . 1 . . 210 . . 75 LEU H . 50842 1 786 . 1 . 1 75 75 LEU HA H 1 2.938 0.018 . 1 . . 200 . . 75 LEU HA . 50842 1 787 . 1 . 1 75 75 LEU HB2 H 1 1.870 0.014 . 1 . . 208 . . 75 LEU HB2 . 50842 1 788 . 1 . 1 75 75 LEU HB3 H 1 1.870 0.014 . 1 . . 206 . . 75 LEU HB3 . 50842 1 789 . 1 . 1 75 75 LEU HG H 1 1.424 0.017 . 1 . . 205 . . 75 LEU HG . 50842 1 790 . 1 . 1 75 75 LEU HD11 H 1 1.025 0.017 . 1 . . 202 . . 75 LEU HD11 . 50842 1 791 . 1 . 1 75 75 LEU HD12 H 1 1.025 0.017 . 1 . . 202 . . 75 LEU HD12 . 50842 1 792 . 1 . 1 75 75 LEU HD13 H 1 1.025 0.017 . 1 . . 202 . . 75 LEU HD13 . 50842 1 793 . 1 . 1 75 75 LEU HD21 H 1 0.862 0.013 . 1 . . 203 . . 75 LEU HD21 . 50842 1 794 . 1 . 1 75 75 LEU HD22 H 1 0.862 0.013 . 1 . . 203 . . 75 LEU HD22 . 50842 1 795 . 1 . 1 75 75 LEU HD23 H 1 0.862 0.013 . 1 . . 203 . . 75 LEU HD23 . 50842 1 796 . 1 . 1 75 75 LEU C C 13 177.387 . . 1 . . 204 . . 75 LEU C . 50842 1 797 . 1 . 1 75 75 LEU CA C 13 57.912 0.032 . 1 . . 209 . . 75 LEU CA . 50842 1 798 . 1 . 1 75 75 LEU CB C 13 39.996 0.067 . 1 . . 207 . . 75 LEU CB . 50842 1 799 . 1 . 1 75 75 LEU CG C 13 27.469 0.043 . 1 . . 211 . . 75 LEU CG . 50842 1 800 . 1 . 1 75 75 LEU CD1 C 13 26.443 0.084 . 1 . . 199 . . 75 LEU CD1 . 50842 1 801 . 1 . 1 75 75 LEU CD2 C 13 22.934 0.026 . 1 . . 201 . . 75 LEU CD2 . 50842 1 802 . 1 . 1 75 75 LEU N N 15 123.216 0.05 . 1 . . 198 . . 75 LEU N . 50842 1 803 . 1 . 1 76 76 ARG H H 1 8.240 0.005 . 1 . . 223 . . 76 ARG H . 50842 1 804 . 1 . 1 76 76 ARG HA H 1 3.828 0.005 . 1 . . 215 . . 76 ARG HA . 50842 1 805 . 1 . 1 76 76 ARG HB2 H 1 1.780 0.017 . 1 . . 220 . . 76 ARG HB2 . 50842 1 806 . 1 . 1 76 76 ARG HB3 H 1 1.783 0.017 . 1 . . 217 . . 76 ARG HB3 . 50842 1 807 . 1 . 1 76 76 ARG HD2 H 1 3.063 0.009 . 1 . . 222 . . 76 ARG HD2 . 50842 1 808 . 1 . 1 76 76 ARG HD3 H 1 3.063 0.009 . 1 . . 219 . . 76 ARG HD3 . 50842 1 809 . 1 . 1 76 76 ARG C C 13 179.364 . . 1 . . 216 . . 76 ARG C . 50842 1 810 . 1 . 1 76 76 ARG CA C 13 59.780 0.023 . 1 . . 221 . . 76 ARG CA . 50842 1 811 . 1 . 1 76 76 ARG CB C 13 29.617 0.021 . 1 . . 218 . . 76 ARG CB . 50842 1 812 . 1 . 1 76 76 ARG CG C 13 27.617 0.002 . 1 . . 224 . . 76 ARG CG . 50842 1 813 . 1 . 1 76 76 ARG CD C 13 43.241 0.009 . 1 . . 213 . . 76 ARG CD . 50842 1 814 . 1 . 1 76 76 ARG N N 15 118.142 0.038 . 1 . . 214 . . 76 ARG N . 50842 1 815 . 1 . 1 77 77 SER H H 1 7.855 0.008 . 1 . . 19 . . 77 SER H . 50842 1 816 . 1 . 1 77 77 SER HA H 1 4.113 0.005 . 1 . . 16 . . 77 SER HA . 50842 1 817 . 1 . 1 77 77 SER HB2 H 1 3.815 0.012 . 1 . . 20 . . 77 SER HB2 . 50842 1 818 . 1 . 1 77 77 SER HB3 H 1 3.815 0.012 . 1 . . 18 . . 77 SER HB3 . 50842 1 819 . 1 . 1 77 77 SER C C 13 176.600 0.002 . 1 . . 17 . . 77 SER C . 50842 1 820 . 1 . 1 77 77 SER CA C 13 61.299 0.06 . 1 . . 21 . . 77 SER CA . 50842 1 821 . 1 . 1 77 77 SER CB C 13 62.562 0.042 . 1 . . 22 . . 77 SER CB . 50842 1 822 . 1 . 1 77 77 SER N N 15 113.680 0.041 . 1 . . 15 . . 77 SER N . 50842 1 823 . 1 . 1 78 78 HIS H H 1 7.559 0.006 . 1 . . 104 . . 78 HIS H . 50842 1 824 . 1 . 1 78 78 HIS HA H 1 4.215 0.008 . 1 . . 100 . . 78 HIS HA . 50842 1 825 . 1 . 1 78 78 HIS HB2 H 1 2.909 0.011 . 2 . . 105 . . 78 HIS HB2 . 50842 1 826 . 1 . 1 78 78 HIS HB3 H 1 3.296 0.009 . 2 . . 106 . . 78 HIS HB3 . 50842 1 827 . 1 . 1 78 78 HIS C C 13 176.198 0.001 . 1 . . 101 . . 78 HIS C . 50842 1 828 . 1 . 1 78 78 HIS CA C 13 59.515 0.116 . 1 . . 103 . . 78 HIS CA . 50842 1 829 . 1 . 1 78 78 HIS CB C 13 28.166 0.027 . 1 . . 102 . . 78 HIS CB . 50842 1 830 . 1 . 1 78 78 HIS N N 15 122.458 0.073 . 1 . . 99 . . 78 HIS N . 50842 1 831 . 1 . 1 79 79 VAL H H 1 8.559 0.011 . 1 . . 139 . . 79 VAL H . 50842 1 832 . 1 . 1 79 79 VAL HA H 1 3.319 0.01 . 1 . . 133 . . 79 VAL HA . 50842 1 833 . 1 . 1 79 79 VAL HB H 1 2.128 0.013 . 1 . . 141 . . 79 VAL HB . 50842 1 834 . 1 . 1 79 79 VAL HG11 H 1 1.338 0.01 . 1 . . 134 . . 79 VAL HG11 . 50842 1 835 . 1 . 1 79 79 VAL HG12 H 1 1.338 0.01 . 1 . . 134 . . 79 VAL HG12 . 50842 1 836 . 1 . 1 79 79 VAL HG13 H 1 1.338 0.01 . 1 . . 134 . . 79 VAL HG13 . 50842 1 837 . 1 . 1 79 79 VAL HG21 H 1 0.977 0.008 . 1 . . 136 . . 79 VAL HG21 . 50842 1 838 . 1 . 1 79 79 VAL HG22 H 1 0.977 0.008 . 1 . . 136 . . 79 VAL HG22 . 50842 1 839 . 1 . 1 79 79 VAL HG23 H 1 0.977 0.008 . 1 . . 136 . . 79 VAL HG23 . 50842 1 840 . 1 . 1 79 79 VAL C C 13 178.424 0.003 . 1 . . 135 . . 79 VAL C . 50842 1 841 . 1 . 1 79 79 VAL CA C 13 67.643 0.056 . 1 . . 138 . . 79 VAL CA . 50842 1 842 . 1 . 1 79 79 VAL CB C 13 31.830 0.054 . 1 . . 137 . . 79 VAL CB . 50842 1 843 . 1 . 1 79 79 VAL CG1 C 13 23.745 0.096 . 1 . . 132 . . 79 VAL CG1 . 50842 1 844 . 1 . 1 79 79 VAL CG2 C 13 21.899 0.02 . 1 . . 140 . . 79 VAL CG2 . 50842 1 845 . 1 . 1 79 79 VAL N N 15 119.691 0.043 . 1 . . 131 . . 79 VAL N . 50842 1 846 . 1 . 1 80 80 LYS H H 1 7.562 0.004 . 1 . . 149 . . 80 LYS H . 50842 1 847 . 1 . 1 80 80 LYS HA H 1 3.989 0.008 . 1 . . 145 . . 80 LYS HA . 50842 1 848 . 1 . 1 80 80 LYS HB2 H 1 1.830 0.008 . 1 . . 147 . . 80 LYS HB2 . 50842 1 849 . 1 . 1 80 80 LYS HB3 H 1 1.830 0.008 . 1 . . 148 . . 80 LYS HB3 . 50842 1 850 . 1 . 1 80 80 LYS HE2 H 1 2.896 0.001 . 1 . . 152 . . 80 LYS HE2 . 50842 1 851 . 1 . 1 80 80 LYS HE3 H 1 2.896 0.001 . 1 . . 153 . . 80 LYS HE3 . 50842 1 852 . 1 . 1 80 80 LYS C C 13 177.768 0.0 . 1 . . 146 . . 80 LYS C . 50842 1 853 . 1 . 1 80 80 LYS CA C 13 58.790 0.071 . 1 . . 151 . . 80 LYS CA . 50842 1 854 . 1 . 1 80 80 LYS CB C 13 32.693 0.057 . 1 . . 150 . . 80 LYS CB . 50842 1 855 . 1 . 1 80 80 LYS CD C 13 29.054 0.011 . 1 . . 143 . . 80 LYS CD . 50842 1 856 . 1 . 1 80 80 LYS CE C 13 42.018 0.039 . 1 . . 154 . . 80 LYS CE . 50842 1 857 . 1 . 1 80 80 LYS N N 15 117.398 0.056 . 1 . . 144 . . 80 LYS N . 50842 1 858 . 1 . 1 81 81 THR H H 1 7.836 0.007 . 1 . . 294 . . 81 THR H . 50842 1 859 . 1 . 1 81 81 THR HA H 1 4.043 0.01 . 1 . . 289 . . 81 THR HA . 50842 1 860 . 1 . 1 81 81 THR HG21 H 1 1.164 0.008 . 1 . . 291 . . 81 THR HG21 . 50842 1 861 . 1 . 1 81 81 THR HG22 H 1 1.164 0.008 . 1 . . 291 . . 81 THR HG22 . 50842 1 862 . 1 . 1 81 81 THR HG23 H 1 1.164 0.008 . 1 . . 291 . . 81 THR HG23 . 50842 1 863 . 1 . 1 81 81 THR C C 13 176.011 0.001 . 1 . . 290 . . 81 THR C . 50842 1 864 . 1 . 1 81 81 THR CA C 13 64.745 0.044 . 1 . . 293 . . 81 THR CA . 50842 1 865 . 1 . 1 81 81 THR CB C 13 69.721 0.045 . 1 . . 292 . . 81 THR CB . 50842 1 866 . 1 . 1 81 81 THR CG2 C 13 21.574 0.144 . 1 . . 295 . . 81 THR CG2 . 50842 1 867 . 1 . 1 81 81 THR N N 15 110.529 0.02 . 1 . . 288 . . 81 THR N . 50842 1 868 . 1 . 1 82 82 VAL H H 1 8.247 0.004 . 1 . . 245 . . 82 VAL H . 50842 1 869 . 1 . 1 82 82 VAL HA H 1 3.792 0.013 . 1 . . 239 . . 82 VAL HA . 50842 1 870 . 1 . 1 82 82 VAL HB H 1 0.774 0.017 . 1 . . 238 . . 82 VAL HB . 50842 1 871 . 1 . 1 82 82 VAL HG11 H 1 0.657 0.013 . 1 . . 240 . . 82 VAL HG11 . 50842 1 872 . 1 . 1 82 82 VAL HG12 H 1 0.657 0.013 . 1 . . 240 . . 82 VAL HG12 . 50842 1 873 . 1 . 1 82 82 VAL HG13 H 1 0.657 0.013 . 1 . . 240 . . 82 VAL HG13 . 50842 1 874 . 1 . 1 82 82 VAL HG21 H 1 0.674 0.015 . 1 . . 242 . . 82 VAL HG21 . 50842 1 875 . 1 . 1 82 82 VAL HG22 H 1 0.674 0.015 . 1 . . 242 . . 82 VAL HG22 . 50842 1 876 . 1 . 1 82 82 VAL HG23 H 1 0.674 0.015 . 1 . . 242 . . 82 VAL HG23 . 50842 1 877 . 1 . 1 82 82 VAL C C 13 176.371 . . 1 . . 241 . . 82 VAL C . 50842 1 878 . 1 . 1 82 82 VAL CA C 13 64.146 0.042 . 1 . . 244 . . 82 VAL CA . 50842 1 879 . 1 . 1 82 82 VAL CB C 13 32.251 0.051 . 1 . . 243 . . 82 VAL CB . 50842 1 880 . 1 . 1 82 82 VAL CG1 C 13 21.003 0.015 . 1 . . 246 . . 82 VAL CG1 . 50842 1 881 . 1 . 1 82 82 VAL CG2 C 13 22.647 . . 1 . . 838 . . 82 VAL CG2 . 50842 1 882 . 1 . 1 82 82 VAL N N 15 119.115 0.057 . 1 . . 237 . . 82 VAL N . 50842 1 883 . 1 . 1 83 83 HIS H H 1 6.973 0.008 . 1 . . 63 . . 83 HIS H . 50842 1 884 . 1 . 1 83 83 HIS HA H 1 5.031 0.006 . 1 . . 57 . . 83 HIS HA . 50842 1 885 . 1 . 1 83 83 HIS HB2 H 1 3.233 0.008 . 1 . . 61 . . 83 HIS HB2 . 50842 1 886 . 1 . 1 83 83 HIS HB3 H 1 3.233 0.008 . 1 . . 59 . . 83 HIS HB3 . 50842 1 887 . 1 . 1 83 83 HIS C C 13 174.432 0.001 . 1 . . 58 . . 83 HIS C . 50842 1 888 . 1 . 1 83 83 HIS CA C 13 53.963 0.099 . 1 . . 62 . . 83 HIS CA . 50842 1 889 . 1 . 1 83 83 HIS CB C 13 28.832 0.077 . 1 . . 60 . . 83 HIS CB . 50842 1 890 . 1 . 1 83 83 HIS N N 15 114.593 0.054 . 1 . . 56 . . 83 HIS N . 50842 1 891 . 1 . 1 84 84 GLN H H 1 7.577 0.01 . 1 . . 230 . . 84 GLN H . 50842 1 892 . 1 . 1 84 84 GLN HA H 1 4.266 0.003 . 1 . . 228 . . 84 GLN HA . 50842 1 893 . 1 . 1 84 84 GLN HB2 H 1 2.289 0.019 . 2 . . 234 . . 84 GLN HB2 . 50842 1 894 . 1 . 1 84 84 GLN HB3 H 1 2.120 0.005 . 2 . . 235 . . 84 GLN HB3 . 50842 1 895 . 1 . 1 84 84 GLN HE21 H 1 6.382 0.0 . 1 . . 227 . . 84 GLN HE21 . 50842 1 896 . 1 . 1 84 84 GLN HE22 H 1 6.382 0.0 . 1 . . 236 . . 84 GLN HE22 . 50842 1 897 . 1 . 1 84 84 GLN C C 13 175.350 . . 1 . . 229 . . 84 GLN C . 50842 1 898 . 1 . 1 84 84 GLN CA C 13 56.609 0.025 . 1 . . 231 . . 84 GLN CA . 50842 1 899 . 1 . 1 84 84 GLN CB C 13 28.166 0.035 . 1 . . 232 . . 84 GLN CB . 50842 1 900 . 1 . 1 84 84 GLN CG C 13 34.260 . . 1 . . 233 . . 84 GLN CG . 50842 1 901 . 1 . 1 84 84 GLN N N 15 117.779 0.053 . 1 . . 226 . . 84 GLN N . 50842 1 902 . 1 . 1 85 85 GLY H H 1 7.877 0.01 . 1 . . 250 . . 85 GLY H . 50842 1 903 . 1 . 1 85 85 GLY HA2 H 1 3.691 0.011 . 1 . . 248 . . 85 GLY HA2 . 50842 1 904 . 1 . 1 85 85 GLY HA3 H 1 3.691 0.011 . 1 . . 249 . . 85 GLY HA3 . 50842 1 905 . 1 . 1 85 85 GLY CA C 13 45.952 0.01 . 1 . . 251 . . 85 GLY CA . 50842 1 906 . 1 . 1 85 85 GLY N N 15 114.377 0.046 . 1 . . 247 . . 85 GLY N . 50842 1 stop_ save_