################################### # 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 34407 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 34407 1 2 '3D CBCA(CO)NH' . . . 34407 1 3 '3D HNCACB' . . . 34407 1 4 '3D H(CCO)NH' . . . 34407 1 5 '3D C(CO)NH' . . . 34407 1 6 '3D 1H-15N NOESY' . . . 34407 1 7 '2D 1H-13C HSQC' . . . 34407 1 8 '3D HCCH-TOCSY' . . . 34407 1 9 '3D 1H-13C NOESY' . . . 34407 1 10 '2D 1H-1H NOESY aromatic' . . . 34407 1 11 '2D HbCbCgCdHd' . . . 34407 1 12 '3D CCH-TOCSY' . . . 34407 1 13 '2D 1H-13C TOCSY aromatic' . . . 34407 1 14 '2D 1H-13C HSQC aromatic' . . . 34407 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 3 3 HIS HA H 1 4.631 0.015 . 1 . . 606 . A 3 HIS HA . 34407 1 2 . 1 . 1 3 3 HIS HB2 H 1 2.998 0.011 . 2 . . 1017 . A 3 HIS HB2 . 34407 1 3 . 1 . 1 3 3 HIS HB3 H 1 3.004 0.016 . 2 . . 1018 . A 3 HIS HB3 . 34407 1 4 . 1 . 1 3 3 HIS HD2 H 1 6.852 0.004 . 1 . . 963 . A 3 HIS HD2 . 34407 1 5 . 1 . 1 3 3 HIS C C 13 174.908 0.009 . 1 . . 447 . A 3 HIS C . 34407 1 6 . 1 . 1 3 3 HIS CA C 13 56.430 0.063 . 1 . . 407 . A 3 HIS CA . 34407 1 7 . 1 . 1 3 3 HIS CB C 13 31.270 0.059 . 1 . . 406 . A 3 HIS CB . 34407 1 8 . 1 . 1 3 3 HIS CD2 C 13 119.800 . . 1 . . 964 . A 3 HIS CD2 . 34407 1 9 . 1 . 1 4 4 MET H H 1 8.444 0.004 . 1 . . 93 . A 4 MET H . 34407 1 10 . 1 . 1 4 4 MET HA H 1 4.650 0.006 . 1 . . 607 . A 4 MET HA . 34407 1 11 . 1 . 1 4 4 MET HB2 H 1 1.947 0.006 . 2 . . 609 . A 4 MET HB2 . 34407 1 12 . 1 . 1 4 4 MET HB3 H 1 2.012 0.018 . 2 . . 1019 . A 4 MET HB3 . 34407 1 13 . 1 . 1 4 4 MET HG2 H 1 2.398 0.008 . 2 . . 608 . A 4 MET HG2 . 34407 1 14 . 1 . 1 4 4 MET HG3 H 1 2.472 0.009 . 2 . . 907 . A 4 MET HG3 . 34407 1 15 . 1 . 1 4 4 MET C C 13 173.745 0.007 . 1 . . 448 . A 4 MET C . 34407 1 16 . 1 . 1 4 4 MET CA C 13 54.673 0.041 . 1 . . 332 . A 4 MET CA . 34407 1 17 . 1 . 1 4 4 MET CB C 13 34.794 0.062 . 1 . . 331 . A 4 MET CB . 34407 1 18 . 1 . 1 4 4 MET CG C 13 32.137 0.086 . 1 . . 554 . A 4 MET CG . 34407 1 19 . 1 . 1 4 4 MET N N 15 120.669 0.023 . 1 . . 94 . A 4 MET N . 34407 1 20 . 1 . 1 5 5 GLN H H 1 8.039 0.004 . 1 . . 162 . A 5 GLN H . 34407 1 21 . 1 . 1 5 5 GLN HA H 1 4.939 0.019 . 1 . . 610 . A 5 GLN HA . 34407 1 22 . 1 . 1 5 5 GLN HB2 H 1 2.044 0.007 . 2 . . 1020 . A 5 GLN HB2 . 34407 1 23 . 1 . 1 5 5 GLN HB3 H 1 2.039 0.01 . 2 . . 1021 . A 5 GLN HB3 . 34407 1 24 . 1 . 1 5 5 GLN HG2 H 1 2.177 0.01 . 2 . . 611 . A 5 GLN HG2 . 34407 1 25 . 1 . 1 5 5 GLN HG3 H 1 2.395 0.006 . 2 . . 612 . A 5 GLN HG3 . 34407 1 26 . 1 . 1 5 5 GLN HE21 H 1 7.801 0.003 . 1 . . 181 . A 5 GLN HE21 . 34407 1 27 . 1 . 1 5 5 GLN HE22 H 1 6.921 0.002 . 1 . . 222 . A 5 GLN HE22 . 34407 1 28 . 1 . 1 5 5 GLN C C 13 175.244 0.013 . 1 . . 551 . A 5 GLN C . 34407 1 29 . 1 . 1 5 5 GLN CA C 13 55.846 0.025 . 1 . . 333 . A 5 GLN CA . 34407 1 30 . 1 . 1 5 5 GLN CB C 13 30.674 0.099 . 1 . . 1022 . A 5 GLN CB . 34407 1 31 . 1 . 1 5 5 GLN CG C 13 35.236 0.091 . 1 . . 431 . A 5 GLN CG . 34407 1 32 . 1 . 1 5 5 GLN N N 15 119.910 0.02 . 1 . . 163 . A 5 GLN N . 34407 1 33 . 1 . 1 5 5 GLN NE2 N 15 112.170 0.244 . 1 . . 182 . A 5 GLN NE2 . 34407 1 34 . 1 . 1 6 6 TYR H H 1 9.243 0.008 . 1 . . 17 . A 6 TYR H . 34407 1 35 . 1 . 1 6 6 TYR HA H 1 5.403 0.015 . 1 . . 613 . A 6 TYR HA . 34407 1 36 . 1 . 1 6 6 TYR HB2 H 1 3.326 0.007 . 2 . . 614 . A 6 TYR HB2 . 34407 1 37 . 1 . 1 6 6 TYR HB3 H 1 2.810 0.007 . 2 . . 615 . A 6 TYR HB3 . 34407 1 38 . 1 . 1 6 6 TYR HD1 H 1 7.201 0.007 . 1 . . 938 . A 6 TYR HD1 . 34407 1 39 . 1 . 1 6 6 TYR HD2 H 1 7.201 0.007 . 1 . . 938 . A 6 TYR HD2 . 34407 1 40 . 1 . 1 6 6 TYR HE1 H 1 6.969 0.005 . 1 . . 937 . A 6 TYR HE1 . 34407 1 41 . 1 . 1 6 6 TYR HE2 H 1 6.969 0.005 . 1 . . 937 . A 6 TYR HE2 . 34407 1 42 . 1 . 1 6 6 TYR C C 13 175.028 0.033 . 1 . . 550 . A 6 TYR C . 34407 1 43 . 1 . 1 6 6 TYR CA C 13 57.171 0.054 . 1 . . 330 . A 6 TYR CA . 34407 1 44 . 1 . 1 6 6 TYR CB C 13 43.087 0.101 . 1 . . 329 . A 6 TYR CB . 34407 1 45 . 1 . 1 6 6 TYR CD1 C 13 134.023 . . 1 . . 940 . A 6 TYR CD1 . 34407 1 46 . 1 . 1 6 6 TYR CD2 C 13 134.023 . . 1 . . 940 . A 6 TYR CD2 . 34407 1 47 . 1 . 1 6 6 TYR CE1 C 13 118.463 . . 1 . . 941 . A 6 TYR CE1 . 34407 1 48 . 1 . 1 6 6 TYR CE2 C 13 118.463 . . 1 . . 941 . A 6 TYR CE2 . 34407 1 49 . 1 . 1 6 6 TYR N N 15 125.014 0.027 . 1 . . 18 . A 6 TYR N . 34407 1 50 . 1 . 1 7 7 LYS H H 1 9.133 0.008 . 1 . . 29 . A 7 LYS H . 34407 1 51 . 1 . 1 7 7 LYS HA H 1 5.229 0.008 . 1 . . 616 . A 7 LYS HA . 34407 1 52 . 1 . 1 7 7 LYS HB2 H 1 2.024 0.015 . 2 . . 1023 . A 7 LYS HB2 . 34407 1 53 . 1 . 1 7 7 LYS HB3 H 1 1.900 0.01 . 2 . . 1024 . A 7 LYS HB3 . 34407 1 54 . 1 . 1 7 7 LYS HG2 H 1 1.486 0.008 . 2 . . 617 . A 7 LYS HG2 . 34407 1 55 . 1 . 1 7 7 LYS HG3 H 1 1.359 0.002 . 2 . . 618 . A 7 LYS HG3 . 34407 1 56 . 1 . 1 7 7 LYS HD2 H 1 1.689 0.0 . 2 . . 619 . A 7 LYS HD2 . 34407 1 57 . 1 . 1 7 7 LYS HD3 H 1 1.624 0.006 . 2 . . 624 . A 7 LYS HD3 . 34407 1 58 . 1 . 1 7 7 LYS HE2 H 1 2.801 . . 2 . . 1026 . A 7 LYS HE2 . 34407 1 59 . 1 . 1 7 7 LYS HE3 H 1 2.877 0.003 . 2 . . 1027 . A 7 LYS HE3 . 34407 1 60 . 1 . 1 7 7 LYS C C 13 172.663 0.006 . 1 . . 549 . A 7 LYS C . 34407 1 61 . 1 . 1 7 7 LYS CA C 13 55.260 0.051 . 1 . . 328 . A 7 LYS CA . 34407 1 62 . 1 . 1 7 7 LYS CB C 13 35.980 0.056 . 1 . . 327 . A 7 LYS CB . 34407 1 63 . 1 . 1 7 7 LYS CG C 13 25.628 0.059 . 1 . . 556 . A 7 LYS CG . 34407 1 64 . 1 . 1 7 7 LYS CD C 13 29.271 0.068 . 1 . . 555 . A 7 LYS CD . 34407 1 65 . 1 . 1 7 7 LYS CE C 13 42.048 . . 1 . . 1025 . A 7 LYS CE . 34407 1 66 . 1 . 1 7 7 LYS N N 15 122.728 0.015 . 1 . . 30 . A 7 LYS N . 34407 1 67 . 1 . 1 8 8 LEU H H 1 8.581 0.006 . 1 . . 73 . A 8 LEU H . 34407 1 68 . 1 . 1 8 8 LEU HA H 1 4.979 0.01 . 1 . . 620 . A 8 LEU HA . 34407 1 69 . 1 . 1 8 8 LEU HB2 H 1 0.778 0.006 . 2 . . 621 . A 8 LEU HB2 . 34407 1 70 . 1 . 1 8 8 LEU HB3 H 1 -1.114 0.008 . 2 . . 623 . A 8 LEU HB3 . 34407 1 71 . 1 . 1 8 8 LEU HG H 1 0.879 0.003 . 1 . . 966 . A 8 LEU HG . 34407 1 72 . 1 . 1 8 8 LEU HD11 H 1 0.565 0.011 . 2 . . 622 . A 8 LEU HD11 . 34407 1 73 . 1 . 1 8 8 LEU HD12 H 1 0.565 0.011 . 2 . . 622 . A 8 LEU HD12 . 34407 1 74 . 1 . 1 8 8 LEU HD13 H 1 0.565 0.011 . 2 . . 622 . A 8 LEU HD13 . 34407 1 75 . 1 . 1 8 8 LEU HD21 H 1 0.601 0.011 . 2 . . 1137 . A 8 LEU HD21 . 34407 1 76 . 1 . 1 8 8 LEU HD22 H 1 0.601 0.011 . 2 . . 1137 . A 8 LEU HD22 . 34407 1 77 . 1 . 1 8 8 LEU HD23 H 1 0.601 0.011 . 2 . . 1137 . A 8 LEU HD23 . 34407 1 78 . 1 . 1 8 8 LEU C C 13 174.726 0.024 . 1 . . 548 . A 8 LEU C . 34407 1 79 . 1 . 1 8 8 LEU CA C 13 52.618 0.074 . 1 . . 326 . A 8 LEU CA . 34407 1 80 . 1 . 1 8 8 LEU CB C 13 42.817 0.064 . 1 . . 325 . A 8 LEU CB . 34407 1 81 . 1 . 1 8 8 LEU CG C 13 27.167 0.046 . 1 . . 557 . A 8 LEU CG . 34407 1 82 . 1 . 1 8 8 LEU CD1 C 13 24.623 0.051 . 2 . . 1135 . A 8 LEU CD1 . 34407 1 83 . 1 . 1 8 8 LEU CD2 C 13 25.990 0.017 . 2 . . 1136 . A 8 LEU CD2 . 34407 1 84 . 1 . 1 8 8 LEU N N 15 126.464 0.021 . 1 . . 74 . A 8 LEU N . 34407 1 85 . 1 . 1 9 9 ILE H H 1 9.113 0.004 . 1 . . 33 . A 9 ILE H . 34407 1 86 . 1 . 1 9 9 ILE HA H 1 4.339 0.007 . 1 . . 625 . A 9 ILE HA . 34407 1 87 . 1 . 1 9 9 ILE HB H 1 1.988 0.013 . 1 . . 922 . A 9 ILE HB . 34407 1 88 . 1 . 1 9 9 ILE HG12 H 1 1.416 0.012 . 2 . . 908 . A 9 ILE HG12 . 34407 1 89 . 1 . 1 9 9 ILE HG13 H 1 1.092 0.037 . 2 . . 921 . A 9 ILE HG13 . 34407 1 90 . 1 . 1 9 9 ILE HG21 H 1 0.804 0.009 . 1 . . 909 . A 9 ILE HG21 . 34407 1 91 . 1 . 1 9 9 ILE HG22 H 1 0.804 0.009 . 1 . . 909 . A 9 ILE HG22 . 34407 1 92 . 1 . 1 9 9 ILE HG23 H 1 0.804 0.009 . 1 . . 909 . A 9 ILE HG23 . 34407 1 93 . 1 . 1 9 9 ILE HD11 H 1 0.788 0.016 . 1 . . 919 . A 9 ILE HD11 . 34407 1 94 . 1 . 1 9 9 ILE HD12 H 1 0.788 0.016 . 1 . . 919 . A 9 ILE HD12 . 34407 1 95 . 1 . 1 9 9 ILE HD13 H 1 0.788 0.016 . 1 . . 919 . A 9 ILE HD13 . 34407 1 96 . 1 . 1 9 9 ILE C C 13 174.772 0.008 . 1 . . 547 . A 9 ILE C . 34407 1 97 . 1 . 1 9 9 ILE CA C 13 60.324 0.063 . 1 . . 324 . A 9 ILE CA . 34407 1 98 . 1 . 1 9 9 ILE CB C 13 38.165 0.043 . 1 . . 323 . A 9 ILE CB . 34407 1 99 . 1 . 1 9 9 ILE CG1 C 13 27.323 0.088 . 1 . . 558 . A 9 ILE CG1 . 34407 1 100 . 1 . 1 9 9 ILE CG2 C 13 17.149 0.02 . 1 . . 559 . A 9 ILE CG2 . 34407 1 101 . 1 . 1 9 9 ILE CD1 C 13 12.674 0.038 . 1 . . 920 . A 9 ILE CD1 . 34407 1 102 . 1 . 1 9 9 ILE N N 15 126.377 0.03 . 1 . . 34 . A 9 ILE N . 34407 1 103 . 1 . 1 10 10 LEU H H 1 8.714 0.006 . 1 . . 61 . A 10 LEU H . 34407 1 104 . 1 . 1 10 10 LEU HA H 1 4.519 0.009 . 1 . . 626 . A 10 LEU HA . 34407 1 105 . 1 . 1 10 10 LEU HB2 H 1 1.458 0.011 . 2 . . 629 . A 10 LEU HB2 . 34407 1 106 . 1 . 1 10 10 LEU HB3 H 1 1.368 0.005 . 2 . . 630 . A 10 LEU HB3 . 34407 1 107 . 1 . 1 10 10 LEU HG H 1 1.297 0.014 . 1 . . 631 . A 10 LEU HG . 34407 1 108 . 1 . 1 10 10 LEU HD11 H 1 0.788 0.018 . 1 . . 628 . A 10 LEU HD11 . 34407 1 109 . 1 . 1 10 10 LEU HD12 H 1 0.788 0.018 . 1 . . 628 . A 10 LEU HD12 . 34407 1 110 . 1 . 1 10 10 LEU HD13 H 1 0.788 0.018 . 1 . . 628 . A 10 LEU HD13 . 34407 1 111 . 1 . 1 10 10 LEU HD21 H 1 0.789 0.011 . 1 . . 627 . A 10 LEU HD21 . 34407 1 112 . 1 . 1 10 10 LEU HD22 H 1 0.789 0.011 . 1 . . 627 . A 10 LEU HD22 . 34407 1 113 . 1 . 1 10 10 LEU HD23 H 1 0.789 0.011 . 1 . . 627 . A 10 LEU HD23 . 34407 1 114 . 1 . 1 10 10 LEU C C 13 174.924 0.031 . 1 . . 546 . A 10 LEU C . 34407 1 115 . 1 . 1 10 10 LEU CA C 13 54.484 0.04 . 1 . . 322 . A 10 LEU CA . 34407 1 116 . 1 . 1 10 10 LEU CB C 13 42.293 0.047 . 1 . . 321 . A 10 LEU CB . 34407 1 117 . 1 . 1 10 10 LEU CG C 13 27.566 0.042 . 1 . . 560 . A 10 LEU CG . 34407 1 118 . 1 . 1 10 10 LEU CD1 C 13 25.975 0.087 . 1 . . 561 . A 10 LEU CD1 . 34407 1 119 . 1 . 1 10 10 LEU N N 15 125.737 0.022 . 1 . . 62 . A 10 LEU N . 34407 1 120 . 1 . 1 11 11 ASN H H 1 8.870 0.004 . 1 . . 47 . A 11 ASN H . 34407 1 121 . 1 . 1 11 11 ASN HA H 1 5.270 0.004 . 1 . . 632 . A 11 ASN HA . 34407 1 122 . 1 . 1 11 11 ASN HB2 H 1 2.992 0.006 . 2 . . 633 . A 11 ASN HB2 . 34407 1 123 . 1 . 1 11 11 ASN HB3 H 1 2.550 0.007 . 2 . . 634 . A 11 ASN HB3 . 34407 1 124 . 1 . 1 11 11 ASN HD21 H 1 7.153 0.01 . 1 . . 211 . A 11 ASN HD21 . 34407 1 125 . 1 . 1 11 11 ASN HD22 H 1 6.820 0.002 . 1 . . 225 . A 11 ASN HD22 . 34407 1 126 . 1 . 1 11 11 ASN C C 13 175.536 0.012 . 1 . . 545 . A 11 ASN C . 34407 1 127 . 1 . 1 11 11 ASN CA C 13 51.205 0.035 . 1 . . 320 . A 11 ASN CA . 34407 1 128 . 1 . 1 11 11 ASN CB C 13 38.206 0.043 . 1 . . 319 . A 11 ASN CB . 34407 1 129 . 1 . 1 11 11 ASN N N 15 125.754 0.025 . 1 . . 48 . A 11 ASN N . 34407 1 130 . 1 . 1 11 11 ASN ND2 N 15 111.320 0.25 . 1 . . 212 . A 11 ASN ND2 . 34407 1 131 . 1 . 1 12 12 GLY H H 1 7.976 0.004 . 1 . . 168 . A 12 GLY H . 34407 1 132 . 1 . 1 12 12 GLY HA2 H 1 4.488 0.009 . 2 . . 635 . A 12 GLY HA2 . 34407 1 133 . 1 . 1 12 12 GLY HA3 H 1 4.067 0.01 . 2 . . 636 . A 12 GLY HA3 . 34407 1 134 . 1 . 1 12 12 GLY C C 13 173.461 0.024 . 1 . . 544 . A 12 GLY C . 34407 1 135 . 1 . 1 12 12 GLY CA C 13 44.818 0.07 . 1 . . 318 . A 12 GLY CA . 34407 1 136 . 1 . 1 12 12 GLY N N 15 110.085 0.028 . 1 . . 169 . A 12 GLY N . 34407 1 137 . 1 . 1 13 13 LYS H H 1 9.311 0.004 . 1 . . 19 . A 13 LYS H . 34407 1 138 . 1 . 1 13 13 LYS HA H 1 4.077 0.006 . 1 . . 637 . A 13 LYS HA . 34407 1 139 . 1 . 1 13 13 LYS HB2 H 1 1.844 0.005 . 2 . . 642 . A 13 LYS HB2 . 34407 1 140 . 1 . 1 13 13 LYS HB3 H 1 1.815 0.014 . 2 . . 643 . A 13 LYS HB3 . 34407 1 141 . 1 . 1 13 13 LYS HG2 H 1 1.464 0.01 . 1 . . 640 . A 13 LYS HG2 . 34407 1 142 . 1 . 1 13 13 LYS HG3 H 1 1.470 0.005 . 1 . . 641 . A 13 LYS HG3 . 34407 1 143 . 1 . 1 13 13 LYS HD2 H 1 1.712 0.002 . 1 . . 924 . A 13 LYS HD2 . 34407 1 144 . 1 . 1 13 13 LYS HD3 H 1 1.712 0.003 . 1 . . 923 . A 13 LYS HD3 . 34407 1 145 . 1 . 1 13 13 LYS HE2 H 1 2.992 0.007 . 2 . . 638 . A 13 LYS HE2 . 34407 1 146 . 1 . 1 13 13 LYS HE3 H 1 2.806 0.01 . 2 . . 639 . A 13 LYS HE3 . 34407 1 147 . 1 . 1 13 13 LYS C C 13 178.800 0.013 . 1 . . 543 . A 13 LYS C . 34407 1 148 . 1 . 1 13 13 LYS CA C 13 59.314 0.038 . 1 . . 317 . A 13 LYS CA . 34407 1 149 . 1 . 1 13 13 LYS CB C 13 32.620 0.016 . 1 . . 316 . A 13 LYS CB . 34407 1 150 . 1 . 1 13 13 LYS CG C 13 25.345 0.007 . 1 . . 563 . A 13 LYS CG . 34407 1 151 . 1 . 1 13 13 LYS CD C 13 29.241 0.095 . 1 . . 562 . A 13 LYS CD . 34407 1 152 . 1 . 1 13 13 LYS CE C 13 41.986 0.201 . 1 . . 1002 . A 13 LYS CE . 34407 1 153 . 1 . 1 13 13 LYS N N 15 121.392 0.016 . 1 . . 20 . A 13 LYS N . 34407 1 154 . 1 . 1 14 14 THR H H 1 8.854 0.002 . 1 . . 53 . A 14 THR H . 34407 1 155 . 1 . 1 14 14 THR HA H 1 4.398 0.009 . 1 . . 644 . A 14 THR HA . 34407 1 156 . 1 . 1 14 14 THR HB H 1 4.263 0.013 . 1 . . 1028 . A 14 THR HB . 34407 1 157 . 1 . 1 14 14 THR HG21 H 1 1.170 0.006 . 1 . . 645 . A 14 THR HG21 . 34407 1 158 . 1 . 1 14 14 THR HG22 H 1 1.170 0.006 . 1 . . 645 . A 14 THR HG22 . 34407 1 159 . 1 . 1 14 14 THR HG23 H 1 1.170 0.006 . 1 . . 645 . A 14 THR HG23 . 34407 1 160 . 1 . 1 14 14 THR C C 13 173.880 0.035 . 1 . . 542 . A 14 THR C . 34407 1 161 . 1 . 1 14 14 THR CA C 13 62.097 0.05 . 1 . . 315 . A 14 THR CA . 34407 1 162 . 1 . 1 14 14 THR CB C 13 69.768 0.022 . 1 . . 1029 . A 14 THR CB . 34407 1 163 . 1 . 1 14 14 THR CG2 C 13 22.017 0.15 . 1 . . 564 . A 14 THR CG2 . 34407 1 164 . 1 . 1 14 14 THR N N 15 108.974 0.03 . 1 . . 54 . A 14 THR N . 34407 1 165 . 1 . 1 15 15 LEU H H 1 7.371 0.003 . 1 . . 207 . A 15 LEU H . 34407 1 166 . 1 . 1 15 15 LEU HA H 1 4.476 0.007 . 1 . . 646 . A 15 LEU HA . 34407 1 167 . 1 . 1 15 15 LEU HB2 H 1 1.550 0.029 . 2 . . 648 . A 15 LEU HB2 . 34407 1 168 . 1 . 1 15 15 LEU HB3 H 1 1.448 0.018 . 2 . . 649 . A 15 LEU HB3 . 34407 1 169 . 1 . 1 15 15 LEU HG H 1 1.211 0.003 . 1 . . 997 . A 15 LEU HG . 34407 1 170 . 1 . 1 15 15 LEU HD11 H 1 0.904 0.007 . 2 . . 647 . A 15 LEU HD11 . 34407 1 171 . 1 . 1 15 15 LEU HD12 H 1 0.904 0.007 . 2 . . 647 . A 15 LEU HD12 . 34407 1 172 . 1 . 1 15 15 LEU HD13 H 1 0.904 0.007 . 2 . . 647 . A 15 LEU HD13 . 34407 1 173 . 1 . 1 15 15 LEU HD21 H 1 0.831 0.012 . 2 . . 996 . A 15 LEU HD21 . 34407 1 174 . 1 . 1 15 15 LEU HD22 H 1 0.831 0.012 . 2 . . 996 . A 15 LEU HD22 . 34407 1 175 . 1 . 1 15 15 LEU HD23 H 1 0.831 0.012 . 2 . . 996 . A 15 LEU HD23 . 34407 1 176 . 1 . 1 15 15 LEU C C 13 173.488 0.016 . 1 . . 541 . A 15 LEU C . 34407 1 177 . 1 . 1 15 15 LEU CA C 13 55.271 0.044 . 1 . . 305 . A 15 LEU CA . 34407 1 178 . 1 . 1 15 15 LEU CB C 13 43.560 0.05 . 1 . . 304 . A 15 LEU CB . 34407 1 179 . 1 . 1 15 15 LEU CG C 13 27.398 0.053 . 1 . . 566 . A 15 LEU CG . 34407 1 180 . 1 . 1 15 15 LEU CD1 C 13 24.221 0.019 . 2 . . 995 . A 15 LEU CD1 . 34407 1 181 . 1 . 1 15 15 LEU CD2 C 13 25.442 0.034 . 2 . . 565 . A 15 LEU CD2 . 34407 1 182 . 1 . 1 15 15 LEU N N 15 125.178 0.03 . 1 . . 208 . A 15 LEU N . 34407 1 183 . 1 . 1 16 16 LYS H H 1 8.156 0.005 . 1 . . 143 . A 16 LYS H . 34407 1 184 . 1 . 1 16 16 LYS HA H 1 5.162 0.013 . 1 . . 650 . A 16 LYS HA . 34407 1 185 . 1 . 1 16 16 LYS HB2 H 1 1.747 0.016 . 2 . . 653 . A 16 LYS HB2 . 34407 1 186 . 1 . 1 16 16 LYS HB3 H 1 1.913 0.012 . 2 . . 654 . A 16 LYS HB3 . 34407 1 187 . 1 . 1 16 16 LYS HG2 H 1 1.483 0.007 . 1 . . 655 . A 16 LYS HG2 . 34407 1 188 . 1 . 1 16 16 LYS HG3 H 1 1.481 0.01 . 1 . . 656 . A 16 LYS HG3 . 34407 1 189 . 1 . 1 16 16 LYS HD2 H 1 1.776 0.02 . 2 . . 657 . A 16 LYS HD2 . 34407 1 190 . 1 . 1 16 16 LYS HD3 H 1 1.710 0.019 . 2 . . 658 . A 16 LYS HD3 . 34407 1 191 . 1 . 1 16 16 LYS HE2 H 1 3.011 0.014 . 2 . . 651 . A 16 LYS HE2 . 34407 1 192 . 1 . 1 16 16 LYS HE3 H 1 2.975 0.017 . 2 . . 652 . A 16 LYS HE3 . 34407 1 193 . 1 . 1 16 16 LYS C C 13 176.430 0.006 . 1 . . 540 . A 16 LYS C . 34407 1 194 . 1 . 1 16 16 LYS CA C 13 54.030 0.05 . 1 . . 303 . A 16 LYS CA . 34407 1 195 . 1 . 1 16 16 LYS CB C 13 34.709 0.055 . 1 . . 302 . A 16 LYS CB . 34407 1 196 . 1 . 1 16 16 LYS CG C 13 25.328 0.035 . 1 . . 568 . A 16 LYS CG . 34407 1 197 . 1 . 1 16 16 LYS CD C 13 29.325 0.064 . 1 . . 567 . A 16 LYS CD . 34407 1 198 . 1 . 1 16 16 LYS CE C 13 42.798 0.001 . 1 . . 1030 . A 16 LYS CE . 34407 1 199 . 1 . 1 16 16 LYS N N 15 124.131 0.032 . 1 . . 144 . A 16 LYS N . 34407 1 200 . 1 . 1 17 17 GLY H H 1 8.452 0.003 . 1 . . 91 . A 17 GLY H . 34407 1 201 . 1 . 1 17 17 GLY HA2 H 1 4.157 0.007 . 2 . . 659 . A 17 GLY HA2 . 34407 1 202 . 1 . 1 17 17 GLY HA3 H 1 4.320 0.007 . 2 . . 660 . A 17 GLY HA3 . 34407 1 203 . 1 . 1 17 17 GLY C C 13 171.410 0.013 . 1 . . 539 . A 17 GLY C . 34407 1 204 . 1 . 1 17 17 GLY CA C 13 45.251 0.052 . 1 . . 314 . A 17 GLY CA . 34407 1 205 . 1 . 1 17 17 GLY N N 15 109.682 0.027 . 1 . . 92 . A 17 GLY N . 34407 1 206 . 1 . 1 18 18 GLU H H 1 8.427 0.006 . 1 . . 97 . A 18 GLU H . 34407 1 207 . 1 . 1 18 18 GLU HA H 1 5.613 0.005 . 1 . . 661 . A 18 GLU HA . 34407 1 208 . 1 . 1 18 18 GLU HB2 H 1 1.946 0.015 . 2 . . 1031 . A 18 GLU HB2 . 34407 1 209 . 1 . 1 18 18 GLU HB3 H 1 2.049 0.019 . 2 . . 1032 . A 18 GLU HB3 . 34407 1 210 . 1 . 1 18 18 GLU HG2 H 1 2.133 0.014 . 2 . . 662 . A 18 GLU HG2 . 34407 1 211 . 1 . 1 18 18 GLU HG3 H 1 2.169 0.005 . 2 . . 910 . A 18 GLU HG3 . 34407 1 212 . 1 . 1 18 18 GLU C C 13 175.366 0.001 . 1 . . 538 . A 18 GLU C . 34407 1 213 . 1 . 1 18 18 GLU CA C 13 54.702 0.032 . 1 . . 300 . A 18 GLU CA . 34407 1 214 . 1 . 1 18 18 GLU CB C 13 33.983 0.069 . 1 . . 301 . A 18 GLU CB . 34407 1 215 . 1 . 1 18 18 GLU CG C 13 35.937 0.103 . 1 . . 569 . A 18 GLU CG . 34407 1 216 . 1 . 1 18 18 GLU N N 15 118.838 0.053 . 1 . . 98 . A 18 GLU N . 34407 1 217 . 1 . 1 19 19 THR H H 1 8.759 0.005 . 1 . . 57 . A 19 THR H . 34407 1 218 . 1 . 1 19 19 THR HA H 1 4.733 0.004 . 1 . . 663 . A 19 THR HA . 34407 1 219 . 1 . 1 19 19 THR HB H 1 3.867 0.008 . 1 . . 664 . A 19 THR HB . 34407 1 220 . 1 . 1 19 19 THR HG21 H 1 0.381 0.003 . 1 . . 665 . A 19 THR HG21 . 34407 1 221 . 1 . 1 19 19 THR HG22 H 1 0.381 0.003 . 1 . . 665 . A 19 THR HG22 . 34407 1 222 . 1 . 1 19 19 THR HG23 H 1 0.381 0.003 . 1 . . 665 . A 19 THR HG23 . 34407 1 223 . 1 . 1 19 19 THR C C 13 171.982 0.026 . 1 . . 537 . A 19 THR C . 34407 1 224 . 1 . 1 19 19 THR CA C 13 60.692 0.157 . 1 . . 299 . A 19 THR CA . 34407 1 225 . 1 . 1 19 19 THR CB C 13 69.517 0.07 . 1 . . 298 . A 19 THR CB . 34407 1 226 . 1 . 1 19 19 THR CG2 C 13 19.098 0.067 . 1 . . 570 . A 19 THR CG2 . 34407 1 227 . 1 . 1 19 19 THR N N 15 115.907 0.022 . 1 . . 58 . A 19 THR N . 34407 1 228 . 1 . 1 20 20 THR H H 1 8.062 0.004 . 1 . . 155 . A 20 THR H . 34407 1 229 . 1 . 1 20 20 THR HA H 1 5.809 0.004 . 1 . . 666 . A 20 THR HA . 34407 1 230 . 1 . 1 20 20 THR HB H 1 4.336 0.006 . 1 . . 667 . A 20 THR HB . 34407 1 231 . 1 . 1 20 20 THR HG21 H 1 1.211 0.014 . 1 . . 668 . A 20 THR HG21 . 34407 1 232 . 1 . 1 20 20 THR HG22 H 1 1.211 0.014 . 1 . . 668 . A 20 THR HG22 . 34407 1 233 . 1 . 1 20 20 THR HG23 H 1 1.211 0.014 . 1 . . 668 . A 20 THR HG23 . 34407 1 234 . 1 . 1 20 20 THR C C 13 174.172 0.008 . 1 . . 536 . A 20 THR C . 34407 1 235 . 1 . 1 20 20 THR CA C 13 59.922 0.026 . 1 . . 296 . A 20 THR CA . 34407 1 236 . 1 . 1 20 20 THR CB C 13 73.400 0.025 . 1 . . 297 . A 20 THR CB . 34407 1 237 . 1 . 1 20 20 THR CG2 C 13 21.579 0.138 . 1 . . 571 . A 20 THR CG2 . 34407 1 238 . 1 . 1 20 20 THR N N 15 111.985 0.023 . 1 . . 156 . A 20 THR N . 34407 1 239 . 1 . 1 21 21 THR H H 1 8.996 0.003 . 1 . . 39 . A 21 THR H . 34407 1 240 . 1 . 1 21 21 THR HA H 1 4.723 0.005 . 1 . . 669 . A 21 THR HA . 34407 1 241 . 1 . 1 21 21 THR HB H 1 3.945 0.004 . 1 . . 670 . A 21 THR HB . 34407 1 242 . 1 . 1 21 21 THR HG21 H 1 0.537 0.014 . 1 . . 671 . A 21 THR HG21 . 34407 1 243 . 1 . 1 21 21 THR HG22 H 1 0.537 0.014 . 1 . . 671 . A 21 THR HG22 . 34407 1 244 . 1 . 1 21 21 THR HG23 H 1 0.537 0.014 . 1 . . 671 . A 21 THR HG23 . 34407 1 245 . 1 . 1 21 21 THR C C 13 171.345 . . 1 . . 535 . A 21 THR C . 34407 1 246 . 1 . 1 21 21 THR CA C 13 62.353 0.055 . 1 . . 294 . A 21 THR CA . 34407 1 247 . 1 . 1 21 21 THR CB C 13 69.966 0.033 . 1 . . 295 . A 21 THR CB . 34407 1 248 . 1 . 1 21 21 THR CG2 C 13 19.196 0.043 . 1 . . 572 . A 21 THR CG2 . 34407 1 249 . 1 . 1 21 21 THR N N 15 114.882 0.038 . 1 . . 40 . A 21 THR N . 34407 1 250 . 1 . 1 22 22 GLU H H 1 8.092 0.003 . 1 . . 153 . A 22 GLU H . 34407 1 251 . 1 . 1 22 22 GLU HA H 1 5.459 0.004 . 1 . . 672 . A 22 GLU HA . 34407 1 252 . 1 . 1 22 22 GLU HB2 H 1 1.889 0.017 . 2 . . 673 . A 22 GLU HB2 . 34407 1 253 . 1 . 1 22 22 GLU HB3 H 1 1.980 0.006 . 2 . . 674 . A 22 GLU HB3 . 34407 1 254 . 1 . 1 22 22 GLU HG2 H 1 2.114 0.01 . 2 . . 675 . A 22 GLU HG2 . 34407 1 255 . 1 . 1 22 22 GLU HG3 H 1 2.292 0.005 . 2 . . 676 . A 22 GLU HG3 . 34407 1 256 . 1 . 1 22 22 GLU C C 13 176.258 0.008 . 1 . . 534 . A 22 GLU C . 34407 1 257 . 1 . 1 22 22 GLU CA C 13 55.082 0.055 . 1 . . 293 . A 22 GLU CA . 34407 1 258 . 1 . 1 22 22 GLU CB C 13 31.047 0.05 . 1 . . 292 . A 22 GLU CB . 34407 1 259 . 1 . 1 22 22 GLU CG C 13 36.693 0.076 . 1 . . 573 . A 22 GLU CG . 34407 1 260 . 1 . 1 22 22 GLU N N 15 124.602 0.025 . 1 . . 154 . A 22 GLU N . 34407 1 261 . 1 . 1 23 23 ALA H H 1 9.193 0.007 . 1 . . 23 . A 23 ALA H . 34407 1 262 . 1 . 1 23 23 ALA HA H 1 4.890 0.008 . 1 . . 677 . A 23 ALA HA . 34407 1 263 . 1 . 1 23 23 ALA HB1 H 1 1.304 0.007 . 1 . . 678 . A 23 ALA HB1 . 34407 1 264 . 1 . 1 23 23 ALA HB2 H 1 1.304 0.007 . 1 . . 678 . A 23 ALA HB2 . 34407 1 265 . 1 . 1 23 23 ALA HB3 H 1 1.304 0.007 . 1 . . 678 . A 23 ALA HB3 . 34407 1 266 . 1 . 1 23 23 ALA C C 13 177.139 0.012 . 1 . . 533 . A 23 ALA C . 34407 1 267 . 1 . 1 23 23 ALA CA C 13 51.106 0.029 . 1 . . 290 . A 23 ALA CA . 34407 1 268 . 1 . 1 23 23 ALA CB C 13 23.718 0.052 . 1 . . 291 . A 23 ALA CB . 34407 1 269 . 1 . 1 23 23 ALA N N 15 124.870 0.017 . 1 . . 24 . A 23 ALA N . 34407 1 270 . 1 . 1 24 24 VAL H H 1 8.463 0.005 . 1 . . 89 . A 24 VAL H . 34407 1 271 . 1 . 1 24 24 VAL HA H 1 4.076 0.011 . 1 . . 679 . A 24 VAL HA . 34407 1 272 . 1 . 1 24 24 VAL HB H 1 2.086 0.007 . 1 . . 680 . A 24 VAL HB . 34407 1 273 . 1 . 1 24 24 VAL HG11 H 1 0.840 0.012 . 2 . . 1033 . A 24 VAL HG11 . 34407 1 274 . 1 . 1 24 24 VAL HG12 H 1 0.840 0.012 . 2 . . 1033 . A 24 VAL HG12 . 34407 1 275 . 1 . 1 24 24 VAL HG13 H 1 0.840 0.012 . 2 . . 1033 . A 24 VAL HG13 . 34407 1 276 . 1 . 1 24 24 VAL HG21 H 1 0.906 0.018 . 2 . . 1034 . A 24 VAL HG21 . 34407 1 277 . 1 . 1 24 24 VAL HG22 H 1 0.906 0.018 . 2 . . 1034 . A 24 VAL HG22 . 34407 1 278 . 1 . 1 24 24 VAL HG23 H 1 0.906 0.018 . 2 . . 1034 . A 24 VAL HG23 . 34407 1 279 . 1 . 1 24 24 VAL C C 13 174.524 0.034 . 1 . . 532 . A 24 VAL C . 34407 1 280 . 1 . 1 24 24 VAL CA C 13 63.225 0.053 . 1 . . 288 . A 24 VAL CA . 34407 1 281 . 1 . 1 24 24 VAL CB C 13 31.950 0.092 . 1 . . 289 . A 24 VAL CB . 34407 1 282 . 1 . 1 24 24 VAL CG1 C 13 20.702 0.044 . 2 . . 1144 . A 24 VAL CG1 . 34407 1 283 . 1 . 1 24 24 VAL CG2 C 13 19.912 0.058 . 2 . . 1143 . A 24 VAL CG2 . 34407 1 284 . 1 . 1 24 24 VAL N N 15 115.679 0.018 . 1 . . 90 . A 24 VAL N . 34407 1 285 . 1 . 1 25 25 ASP H H 1 7.295 0.006 . 1 . . 209 . A 25 ASP H . 34407 1 286 . 1 . 1 25 25 ASP HA H 1 4.673 0.004 . 1 . . 681 . A 25 ASP HA . 34407 1 287 . 1 . 1 25 25 ASP HB2 H 1 3.030 0.012 . 1 . . 683 . A 25 ASP HB2 . 34407 1 288 . 1 . 1 25 25 ASP HB3 H 1 3.026 0.006 . 1 . . 682 . A 25 ASP HB3 . 34407 1 289 . 1 . 1 25 25 ASP C C 13 174.738 0.008 . 1 . . 531 . A 25 ASP C . 34407 1 290 . 1 . 1 25 25 ASP CA C 13 52.739 0.027 . 1 . . 287 . A 25 ASP CA . 34407 1 291 . 1 . 1 25 25 ASP CB C 13 42.167 0.052 . 1 . . 286 . A 25 ASP CB . 34407 1 292 . 1 . 1 25 25 ASP N N 15 114.812 0.019 . 1 . . 210 . A 25 ASP N . 34407 1 293 . 1 . 1 26 26 ALA H H 1 8.418 0.002 . 1 . . 99 . A 26 ALA H . 34407 1 294 . 1 . 1 26 26 ALA HA H 1 3.513 0.006 . 1 . . 684 . A 26 ALA HA . 34407 1 295 . 1 . 1 26 26 ALA HB1 H 1 1.336 0.002 . 1 . . 685 . A 26 ALA HB1 . 34407 1 296 . 1 . 1 26 26 ALA HB2 H 1 1.336 0.002 . 1 . . 685 . A 26 ALA HB2 . 34407 1 297 . 1 . 1 26 26 ALA HB3 H 1 1.336 0.002 . 1 . . 685 . A 26 ALA HB3 . 34407 1 298 . 1 . 1 26 26 ALA C C 13 180.448 0.008 . 1 . . 530 . A 26 ALA C . 34407 1 299 . 1 . 1 26 26 ALA CA C 13 54.689 0.047 . 1 . . 284 . A 26 ALA CA . 34407 1 300 . 1 . 1 26 26 ALA CB C 13 17.450 0.071 . 1 . . 285 . A 26 ALA CB . 34407 1 301 . 1 . 1 26 26 ALA N N 15 121.566 0.044 . 1 . . 100 . A 26 ALA N . 34407 1 302 . 1 . 1 27 27 ALA H H 1 8.282 0.006 . 1 . . 129 . A 27 ALA H . 34407 1 303 . 1 . 1 27 27 ALA HA H 1 3.980 0.005 . 1 . . 686 . A 27 ALA HA . 34407 1 304 . 1 . 1 27 27 ALA HB1 H 1 1.310 0.006 . 1 . . 687 . A 27 ALA HB1 . 34407 1 305 . 1 . 1 27 27 ALA HB2 H 1 1.310 0.006 . 1 . . 687 . A 27 ALA HB2 . 34407 1 306 . 1 . 1 27 27 ALA HB3 H 1 1.310 0.006 . 1 . . 687 . A 27 ALA HB3 . 34407 1 307 . 1 . 1 27 27 ALA C C 13 180.712 0.013 . 1 . . 529 . A 27 ALA C . 34407 1 308 . 1 . 1 27 27 ALA CA C 13 54.858 0.053 . 1 . . 282 . A 27 ALA CA . 34407 1 309 . 1 . 1 27 27 ALA CB C 13 17.881 0.062 . 1 . . 283 . A 27 ALA CB . 34407 1 310 . 1 . 1 27 27 ALA N N 15 122.737 0.047 . 1 . . 130 . A 27 ALA N . 34407 1 311 . 1 . 1 28 28 THR H H 1 8.366 0.003 . 1 . . 105 . A 28 THR H . 34407 1 312 . 1 . 1 28 28 THR HA H 1 3.706 0.004 . 1 . . 925 . A 28 THR HA . 34407 1 313 . 1 . 1 28 28 THR HB H 1 4.007 0.01 . 1 . . 688 . A 28 THR HB . 34407 1 314 . 1 . 1 28 28 THR HG21 H 1 1.229 0.008 . 1 . . 689 . A 28 THR HG21 . 34407 1 315 . 1 . 1 28 28 THR HG22 H 1 1.229 0.008 . 1 . . 689 . A 28 THR HG22 . 34407 1 316 . 1 . 1 28 28 THR HG23 H 1 1.229 0.008 . 1 . . 689 . A 28 THR HG23 . 34407 1 317 . 1 . 1 28 28 THR C C 13 176.030 . . 1 . . 528 . A 28 THR C . 34407 1 318 . 1 . 1 28 28 THR CA C 13 67.031 0.07 . 1 . . 280 . A 28 THR CA . 34407 1 319 . 1 . 1 28 28 THR CB C 13 67.970 0.046 . 1 . . 281 . A 28 THR CB . 34407 1 320 . 1 . 1 28 28 THR CG2 C 13 21.203 0.073 . 1 . . 574 . A 28 THR CG2 . 34407 1 321 . 1 . 1 28 28 THR N N 15 117.113 0.017 . 1 . . 106 . A 28 THR N . 34407 1 322 . 1 . 1 29 29 ALA H H 1 6.960 0.004 . 1 . . 220 . A 29 ALA H . 34407 1 323 . 1 . 1 29 29 ALA HA H 1 3.115 0.01 . 1 . . 690 . A 29 ALA HA . 34407 1 324 . 1 . 1 29 29 ALA HB1 H 1 0.486 0.006 . 1 . . 691 . A 29 ALA HB1 . 34407 1 325 . 1 . 1 29 29 ALA HB2 H 1 0.486 0.006 . 1 . . 691 . A 29 ALA HB2 . 34407 1 326 . 1 . 1 29 29 ALA HB3 H 1 0.486 0.006 . 1 . . 691 . A 29 ALA HB3 . 34407 1 327 . 1 . 1 29 29 ALA C C 13 177.217 0.021 . 1 . . 527 . A 29 ALA C . 34407 1 328 . 1 . 1 29 29 ALA CA C 13 54.997 0.031 . 1 . . 278 . A 29 ALA CA . 34407 1 329 . 1 . 1 29 29 ALA CB C 13 17.130 0.034 . 1 . . 279 . A 29 ALA CB . 34407 1 330 . 1 . 1 29 29 ALA N N 15 123.207 0.021 . 1 . . 221 . A 29 ALA N . 34407 1 331 . 1 . 1 30 30 GLU H H 1 7.964 0.003 . 1 . . 171 . A 30 GLU H . 34407 1 332 . 1 . 1 30 30 GLU HA H 1 2.777 0.008 . 1 . . 692 . A 30 GLU HA . 34407 1 333 . 1 . 1 30 30 GLU HB2 H 1 1.959 0.01 . 2 . . 695 . A 30 GLU HB2 . 34407 1 334 . 1 . 1 30 30 GLU HB3 H 1 1.832 0.011 . 2 . . 696 . A 30 GLU HB3 . 34407 1 335 . 1 . 1 30 30 GLU HG2 H 1 1.569 0.004 . 1 . . 694 . A 30 GLU HG2 . 34407 1 336 . 1 . 1 30 30 GLU HG3 H 1 1.569 0.005 . 1 . . 693 . A 30 GLU HG3 . 34407 1 337 . 1 . 1 30 30 GLU C C 13 177.379 0.007 . 1 . . 526 . A 30 GLU C . 34407 1 338 . 1 . 1 30 30 GLU CA C 13 60.007 0.025 . 1 . . 277 . A 30 GLU CA . 34407 1 339 . 1 . 1 30 30 GLU CB C 13 28.803 0.068 . 1 . . 276 . A 30 GLU CB . 34407 1 340 . 1 . 1 30 30 GLU CG C 13 36.304 0.07 . 1 . . 575 . A 30 GLU CG . 34407 1 341 . 1 . 1 30 30 GLU N N 15 116.346 0.026 . 1 . . 172 . A 30 GLU N . 34407 1 342 . 1 . 1 31 31 LYS H H 1 7.071 0.003 . 1 . . 213 . A 31 LYS H . 34407 1 343 . 1 . 1 31 31 LYS HA H 1 3.746 0.007 . 1 . . 697 . A 31 LYS HA . 34407 1 344 . 1 . 1 31 31 LYS HB2 H 1 1.855 0.002 . 2 . . 1055 . A 31 LYS HB2 . 34407 1 345 . 1 . 1 31 31 LYS HB3 H 1 1.856 0.002 . 2 . . 1056 . A 31 LYS HB3 . 34407 1 346 . 1 . 1 31 31 LYS HG2 H 1 1.551 0.02 . 2 . . 700 . A 31 LYS HG2 . 34407 1 347 . 1 . 1 31 31 LYS HG3 H 1 1.338 0.014 . 2 . . 701 . A 31 LYS HG3 . 34407 1 348 . 1 . 1 31 31 LYS HD2 H 1 1.629 0.01 . 2 . . 1057 . A 31 LYS HD2 . 34407 1 349 . 1 . 1 31 31 LYS HD3 H 1 1.629 0.01 . 2 . . 1058 . A 31 LYS HD3 . 34407 1 350 . 1 . 1 31 31 LYS HE2 H 1 2.742 . . 2 . . 698 . A 31 LYS HE2 . 34407 1 351 . 1 . 1 31 31 LYS HE3 H 1 2.904 0.003 . 2 . . 699 . A 31 LYS HE3 . 34407 1 352 . 1 . 1 31 31 LYS C C 13 180.043 0.023 . 1 . . 525 . A 31 LYS C . 34407 1 353 . 1 . 1 31 31 LYS CA C 13 59.859 0.054 . 1 . . 274 . A 31 LYS CA . 34407 1 354 . 1 . 1 31 31 LYS CB C 13 32.300 0.076 . 1 . . 275 . A 31 LYS CB . 34407 1 355 . 1 . 1 31 31 LYS CG C 13 25.176 0.1 . 1 . . 553 . A 31 LYS CG . 34407 1 356 . 1 . 1 31 31 LYS CD C 13 29.650 0.075 . 1 . . 552 . A 31 LYS CD . 34407 1 357 . 1 . 1 31 31 LYS CE C 13 42.140 0.011 . 1 . . 1035 . A 31 LYS CE . 34407 1 358 . 1 . 1 31 31 LYS N N 15 116.924 0.023 . 1 . . 214 . A 31 LYS N . 34407 1 359 . 1 . 1 32 32 VAL H H 1 7.441 0.005 . 1 . . 199 . A 32 VAL H . 34407 1 360 . 1 . 1 32 32 VAL HA H 1 3.658 0.006 . 1 . . 702 . A 32 VAL HA . 34407 1 361 . 1 . 1 32 32 VAL HB H 1 1.790 0.006 . 1 . . 703 . A 32 VAL HB . 34407 1 362 . 1 . 1 32 32 VAL HG11 H 1 0.935 0.007 . 2 . . 704 . A 32 VAL HG11 . 34407 1 363 . 1 . 1 32 32 VAL HG12 H 1 0.935 0.007 . 2 . . 704 . A 32 VAL HG12 . 34407 1 364 . 1 . 1 32 32 VAL HG13 H 1 0.935 0.007 . 2 . . 704 . A 32 VAL HG13 . 34407 1 365 . 1 . 1 32 32 VAL HG21 H 1 0.852 0.012 . 2 . . 705 . A 32 VAL HG21 . 34407 1 366 . 1 . 1 32 32 VAL HG22 H 1 0.852 0.012 . 2 . . 705 . A 32 VAL HG22 . 34407 1 367 . 1 . 1 32 32 VAL HG23 H 1 0.852 0.012 . 2 . . 705 . A 32 VAL HG23 . 34407 1 368 . 1 . 1 32 32 VAL C C 13 179.859 0.01 . 1 . . 524 . A 32 VAL C . 34407 1 369 . 1 . 1 32 32 VAL CA C 13 66.052 0.036 . 1 . . 273 . A 32 VAL CA . 34407 1 370 . 1 . 1 32 32 VAL CB C 13 31.784 0.098 . 1 . . 272 . A 32 VAL CB . 34407 1 371 . 1 . 1 32 32 VAL CG1 C 13 21.852 0.013 . 2 . . 1153 . A 32 VAL CG1 . 34407 1 372 . 1 . 1 32 32 VAL CG2 C 13 20.564 0.048 . 2 . . 576 . A 32 VAL CG2 . 34407 1 373 . 1 . 1 32 32 VAL N N 15 120.665 0.019 . 1 . . 200 . A 32 VAL N . 34407 1 374 . 1 . 1 33 33 PHE H H 1 8.474 0.004 . 1 . . 87 . A 33 PHE H . 34407 1 375 . 1 . 1 33 33 PHE HA H 1 4.816 0.014 . 1 . . 706 . A 33 PHE HA . 34407 1 376 . 1 . 1 33 33 PHE HB2 H 1 3.008 0.007 . 2 . . 707 . A 33 PHE HB2 . 34407 1 377 . 1 . 1 33 33 PHE HB3 H 1 3.418 0.012 . 2 . . 708 . A 33 PHE HB3 . 34407 1 378 . 1 . 1 33 33 PHE HD1 H 1 7.174 0.019 . 1 . . 939 . A 33 PHE HD1 . 34407 1 379 . 1 . 1 33 33 PHE HD2 H 1 7.174 0.019 . 1 . . 939 . A 33 PHE HD2 . 34407 1 380 . 1 . 1 33 33 PHE HE1 H 1 7.020 0.0 . 1 . . 1159 . A 33 PHE HE1 . 34407 1 381 . 1 . 1 33 33 PHE HE2 H 1 7.020 0.0 . 1 . . 1159 . A 33 PHE HE2 . 34407 1 382 . 1 . 1 33 33 PHE HZ H 1 7.174 0.024 . 1 . . 989 . A 33 PHE HZ . 34407 1 383 . 1 . 1 33 33 PHE C C 13 178.351 0.005 . 1 . . 523 . A 33 PHE C . 34407 1 384 . 1 . 1 33 33 PHE CA C 13 56.425 0.037 . 1 . . 1093 . A 33 PHE CA . 34407 1 385 . 1 . 1 33 33 PHE CB C 13 37.455 0.062 . 1 . . 271 . A 33 PHE CB . 34407 1 386 . 1 . 1 33 33 PHE N N 15 120.782 0.033 . 1 . . 88 . A 33 PHE N . 34407 1 387 . 1 . 1 34 34 LYS H H 1 9.163 0.007 . 1 . . 25 . A 34 LYS H . 34407 1 388 . 1 . 1 34 34 LYS HA H 1 4.197 0.004 . 1 . . 709 . A 34 LYS HA . 34407 1 389 . 1 . 1 34 34 LYS HB2 H 1 1.690 0.019 . 2 . . 710 . A 34 LYS HB2 . 34407 1 390 . 1 . 1 34 34 LYS HB3 H 1 1.591 0.012 . 2 . . 711 . A 34 LYS HB3 . 34407 1 391 . 1 . 1 34 34 LYS HG2 H 1 0.867 0.009 . 2 . . 712 . A 34 LYS HG2 . 34407 1 392 . 1 . 1 34 34 LYS HG3 H 1 0.528 0.009 . 2 . . 713 . A 34 LYS HG3 . 34407 1 393 . 1 . 1 34 34 LYS HD2 H 1 1.064 0.006 . 2 . . 714 . A 34 LYS HD2 . 34407 1 394 . 1 . 1 34 34 LYS HD3 H 1 1.135 0.009 . 2 . . 715 . A 34 LYS HD3 . 34407 1 395 . 1 . 1 34 34 LYS HE2 H 1 1.940 0.009 . 2 . . 967 . A 34 LYS HE2 . 34407 1 396 . 1 . 1 34 34 LYS HE3 H 1 1.683 0.006 . 2 . . 969 . A 34 LYS HE3 . 34407 1 397 . 1 . 1 34 34 LYS C C 13 179.602 0.021 . 1 . . 522 . A 34 LYS C . 34407 1 398 . 1 . 1 34 34 LYS CA C 13 59.931 0.04 . 1 . . 269 . A 34 LYS CA . 34407 1 399 . 1 . 1 34 34 LYS CB C 13 31.642 0.127 . 1 . . 270 . A 34 LYS CB . 34407 1 400 . 1 . 1 34 34 LYS CG C 13 25.787 0.076 . 1 . . 578 . A 34 LYS CG . 34407 1 401 . 1 . 1 34 34 LYS CD C 13 28.874 0.09 . 1 . . 577 . A 34 LYS CD . 34407 1 402 . 1 . 1 34 34 LYS CE C 13 41.477 0.053 . 1 . . 968 . A 34 LYS CE . 34407 1 403 . 1 . 1 34 34 LYS N N 15 123.035 0.031 . 1 . . 26 . A 34 LYS N . 34407 1 404 . 1 . 1 35 35 GLN H H 1 7.494 0.008 . 1 . . 197 . A 35 GLN H . 34407 1 405 . 1 . 1 35 35 GLN HA H 1 4.075 0.007 . 1 . . 716 . A 35 GLN HA . 34407 1 406 . 1 . 1 35 35 GLN HB2 H 1 2.222 0.007 . 2 . . 717 . A 35 GLN HB2 . 34407 1 407 . 1 . 1 35 35 GLN HB3 H 1 2.266 0.009 . 2 . . 718 . A 35 GLN HB3 . 34407 1 408 . 1 . 1 35 35 GLN HG2 H 1 2.448 0.007 . 2 . . 719 . A 35 GLN HG2 . 34407 1 409 . 1 . 1 35 35 GLN HG3 H 1 2.474 0.008 . 2 . . 720 . A 35 GLN HG3 . 34407 1 410 . 1 . 1 35 35 GLN HE21 H 1 7.972 0.002 . 1 . . 170 . A 35 GLN HE21 . 34407 1 411 . 1 . 1 35 35 GLN HE22 H 1 6.910 0.002 . 1 . . 223 . A 35 GLN HE22 . 34407 1 412 . 1 . 1 35 35 GLN C C 13 177.119 0.012 . 1 . . 521 . A 35 GLN C . 34407 1 413 . 1 . 1 35 35 GLN CA C 13 58.774 0.049 . 1 . . 268 . A 35 GLN CA . 34407 1 414 . 1 . 1 35 35 GLN CB C 13 28.151 0.081 . 1 . . 267 . A 35 GLN CB . 34407 1 415 . 1 . 1 35 35 GLN CG C 13 33.465 0.076 . 1 . . 430 . A 35 GLN CG . 34407 1 416 . 1 . 1 35 35 GLN N N 15 119.733 0.031 . 1 . . 198 . A 35 GLN N . 34407 1 417 . 1 . 1 35 35 GLN NE2 N 15 114.989 0.015 . 1 . . 429 . A 35 GLN NE2 . 34407 1 418 . 1 . 1 36 36 TYR H H 1 8.295 0.004 . 1 . . 123 . A 36 TYR H . 34407 1 419 . 1 . 1 36 36 TYR HA H 1 4.277 0.018 . 1 . . 721 . A 36 TYR HA . 34407 1 420 . 1 . 1 36 36 TYR HB2 H 1 3.325 0.003 . 2 . . 1036 . A 36 TYR HB2 . 34407 1 421 . 1 . 1 36 36 TYR HB3 H 1 3.324 0.004 . 2 . . 1037 . A 36 TYR HB3 . 34407 1 422 . 1 . 1 36 36 TYR HD1 H 1 6.993 0.009 . 1 . . 942 . A 36 TYR HD1 . 34407 1 423 . 1 . 1 36 36 TYR HD2 H 1 6.993 0.009 . 1 . . 942 . A 36 TYR HD2 . 34407 1 424 . 1 . 1 36 36 TYR HE1 H 1 6.754 0.011 . 1 . . 943 . A 36 TYR HE1 . 34407 1 425 . 1 . 1 36 36 TYR HE2 H 1 6.754 0.011 . 1 . . 943 . A 36 TYR HE2 . 34407 1 426 . 1 . 1 36 36 TYR C C 13 179.120 0.022 . 1 . . 520 . A 36 TYR C . 34407 1 427 . 1 . 1 36 36 TYR CA C 13 61.991 0.077 . 1 . . 266 . A 36 TYR CA . 34407 1 428 . 1 . 1 36 36 TYR CB C 13 38.707 0.048 . 1 . . 265 . A 36 TYR CB . 34407 1 429 . 1 . 1 36 36 TYR CD1 C 13 133.362 . . 1 . . 945 . A 36 TYR CD1 . 34407 1 430 . 1 . 1 36 36 TYR CD2 C 13 133.362 . . 1 . . 945 . A 36 TYR CD2 . 34407 1 431 . 1 . 1 36 36 TYR CE1 C 13 118.273 0.225 . 1 . . 944 . A 36 TYR CE1 . 34407 1 432 . 1 . 1 36 36 TYR CE2 C 13 118.273 0.225 . 1 . . 944 . A 36 TYR CE2 . 34407 1 433 . 1 . 1 36 36 TYR N N 15 121.184 0.045 . 1 . . 124 . A 36 TYR N . 34407 1 434 . 1 . 1 37 37 ALA H H 1 9.217 0.005 . 1 . . 21 . A 37 ALA H . 34407 1 435 . 1 . 1 37 37 ALA HA H 1 3.843 0.009 . 1 . . 722 . A 37 ALA HA . 34407 1 436 . 1 . 1 37 37 ALA HB1 H 1 1.870 0.007 . 1 . . 723 . A 37 ALA HB1 . 34407 1 437 . 1 . 1 37 37 ALA HB2 H 1 1.870 0.007 . 1 . . 723 . A 37 ALA HB2 . 34407 1 438 . 1 . 1 37 37 ALA HB3 H 1 1.870 0.007 . 1 . . 723 . A 37 ALA HB3 . 34407 1 439 . 1 . 1 37 37 ALA C C 13 179.342 0.011 . 1 . . 519 . A 37 ALA C . 34407 1 440 . 1 . 1 37 37 ALA CA C 13 56.406 0.028 . 1 . . 264 . A 37 ALA CA . 34407 1 441 . 1 . 1 37 37 ALA CB C 13 17.937 0.071 . 1 . . 263 . A 37 ALA CB . 34407 1 442 . 1 . 1 37 37 ALA N N 15 122.747 0.022 . 1 . . 22 . A 37 ALA N . 34407 1 443 . 1 . 1 38 38 ASN H H 1 8.276 0.006 . 1 . . 125 . A 38 ASN H . 34407 1 444 . 1 . 1 38 38 ASN HA H 1 4.463 0.005 . 1 . . 724 . A 38 ASN HA . 34407 1 445 . 1 . 1 38 38 ASN HB2 H 1 2.944 0.017 . 2 . . 725 . A 38 ASN HB2 . 34407 1 446 . 1 . 1 38 38 ASN HB3 H 1 2.983 0.007 . 2 . . 726 . A 38 ASN HB3 . 34407 1 447 . 1 . 1 38 38 ASN HD21 H 1 7.640 0.002 . 1 . . 191 . A 38 ASN HD21 . 34407 1 448 . 1 . 1 38 38 ASN HD22 H 1 6.989 0.002 . 1 . . 219 . A 38 ASN HD22 . 34407 1 449 . 1 . 1 38 38 ASN C C 13 179.415 0.017 . 1 . . 518 . A 38 ASN C . 34407 1 450 . 1 . 1 38 38 ASN CA C 13 57.041 0.043 . 1 . . 261 . A 38 ASN CA . 34407 1 451 . 1 . 1 38 38 ASN CB C 13 38.900 0.052 . 1 . . 262 . A 38 ASN CB . 34407 1 452 . 1 . 1 38 38 ASN N N 15 117.723 0.028 . 1 . . 126 . A 38 ASN N . 34407 1 453 . 1 . 1 38 38 ASN ND2 N 15 112.182 0.222 . 1 . . 192 . A 38 ASN ND2 . 34407 1 454 . 1 . 1 39 39 ASP H H 1 8.972 0.008 . 1 . . 41 . A 39 ASP H . 34407 1 455 . 1 . 1 39 39 ASP HA H 1 4.384 0.016 . 1 . . 727 . A 39 ASP HA . 34407 1 456 . 1 . 1 39 39 ASP HB2 H 1 2.738 0.006 . 2 . . 728 . A 39 ASP HB2 . 34407 1 457 . 1 . 1 39 39 ASP HB3 H 1 2.571 0.025 . 2 . . 729 . A 39 ASP HB3 . 34407 1 458 . 1 . 1 39 39 ASP C C 13 177.204 0.008 . 1 . . 517 . A 39 ASP C . 34407 1 459 . 1 . 1 39 39 ASP CA C 13 57.052 0.032 . 1 . . 259 . A 39 ASP CA . 34407 1 460 . 1 . 1 39 39 ASP CB C 13 40.047 0.043 . 1 . . 260 . A 39 ASP CB . 34407 1 461 . 1 . 1 39 39 ASP N N 15 121.589 0.011 . 1 . . 42 . A 39 ASP N . 34407 1 462 . 1 . 1 40 40 ASN H H 1 7.421 0.004 . 1 . . 203 . A 40 ASN H . 34407 1 463 . 1 . 1 40 40 ASN HA H 1 4.616 0.005 . 1 . . 730 . A 40 ASN HA . 34407 1 464 . 1 . 1 40 40 ASN HB2 H 1 2.709 0.004 . 2 . . 731 . A 40 ASN HB2 . 34407 1 465 . 1 . 1 40 40 ASN HB3 H 1 2.134 0.003 . 2 . . 732 . A 40 ASN HB3 . 34407 1 466 . 1 . 1 40 40 ASN HD21 H 1 6.672 0.003 . 1 . . 226 . A 40 ASN HD21 . 34407 1 467 . 1 . 1 40 40 ASN HD22 H 1 6.289 0.004 . 1 . . 230 . A 40 ASN HD22 . 34407 1 468 . 1 . 1 40 40 ASN C C 13 174.049 0.022 . 1 . . 516 . A 40 ASN C . 34407 1 469 . 1 . 1 40 40 ASN CA C 13 53.909 0.031 . 1 . . 258 . A 40 ASN CA . 34407 1 470 . 1 . 1 40 40 ASN CB C 13 40.076 0.042 . 1 . . 257 . A 40 ASN CB . 34407 1 471 . 1 . 1 40 40 ASN N N 15 115.483 0.015 . 1 . . 204 . A 40 ASN N . 34407 1 472 . 1 . 1 40 40 ASN ND2 N 15 114.801 0.212 . 1 . . 227 . A 40 ASN ND2 . 34407 1 473 . 1 . 1 41 41 GLY H H 1 7.824 0.003 . 1 . . 177 . A 41 GLY H . 34407 1 474 . 1 . 1 41 41 GLY HA2 H 1 3.951 0.004 . 1 . . 1059 . A 41 GLY HA2 . 34407 1 475 . 1 . 1 41 41 GLY HA3 H 1 3.951 0.004 . 1 . . 1060 . A 41 GLY HA3 . 34407 1 476 . 1 . 1 41 41 GLY C C 13 174.262 0.002 . 1 . . 515 . A 41 GLY C . 34407 1 477 . 1 . 1 41 41 GLY CA C 13 46.973 0.042 . 1 . . 256 . A 41 GLY CA . 34407 1 478 . 1 . 1 41 41 GLY N N 15 108.369 0.022 . 1 . . 178 . A 41 GLY N . 34407 1 479 . 1 . 1 42 42 VAL H H 1 8.143 0.005 . 1 . . 147 . A 42 VAL H . 34407 1 480 . 1 . 1 42 42 VAL HA H 1 4.180 0.004 . 1 . . 733 . A 42 VAL HA . 34407 1 481 . 1 . 1 42 42 VAL HB H 1 1.766 0.017 . 1 . . 734 . A 42 VAL HB . 34407 1 482 . 1 . 1 42 42 VAL HG11 H 1 0.671 0.006 . 2 . . 735 . A 42 VAL HG11 . 34407 1 483 . 1 . 1 42 42 VAL HG12 H 1 0.671 0.006 . 2 . . 735 . A 42 VAL HG12 . 34407 1 484 . 1 . 1 42 42 VAL HG13 H 1 0.671 0.006 . 2 . . 735 . A 42 VAL HG13 . 34407 1 485 . 1 . 1 42 42 VAL HG21 H 1 0.846 0.016 . 2 . . 736 . A 42 VAL HG21 . 34407 1 486 . 1 . 1 42 42 VAL HG22 H 1 0.846 0.016 . 2 . . 736 . A 42 VAL HG22 . 34407 1 487 . 1 . 1 42 42 VAL HG23 H 1 0.846 0.016 . 2 . . 736 . A 42 VAL HG23 . 34407 1 488 . 1 . 1 42 42 VAL C C 13 173.708 0.018 . 1 . . 514 . A 42 VAL C . 34407 1 489 . 1 . 1 42 42 VAL CA C 13 62.135 0.08 . 1 . . 255 . A 42 VAL CA . 34407 1 490 . 1 . 1 42 42 VAL CB C 13 33.307 0.087 . 1 . . 254 . A 42 VAL CB . 34407 1 491 . 1 . 1 42 42 VAL CG1 C 13 21.646 0.075 . 2 . . 1140 . A 42 VAL CG1 . 34407 1 492 . 1 . 1 42 42 VAL CG2 C 13 21.786 0.057 . 2 . . 1139 . A 42 VAL CG2 . 34407 1 493 . 1 . 1 42 42 VAL N N 15 120.877 0.016 . 1 . . 148 . A 42 VAL N . 34407 1 494 . 1 . 1 43 43 ASP H H 1 8.486 0.004 . 1 . . 83 . A 43 ASP H . 34407 1 495 . 1 . 1 43 43 ASP HA H 1 4.912 0.007 . 1 . . 737 . A 43 ASP HA . 34407 1 496 . 1 . 1 43 43 ASP HB2 H 1 2.628 0.008 . 2 . . 738 . A 43 ASP HB2 . 34407 1 497 . 1 . 1 43 43 ASP HB3 H 1 2.736 0.01 . 2 . . 739 . A 43 ASP HB3 . 34407 1 498 . 1 . 1 43 43 ASP C C 13 174.717 0.015 . 1 . . 513 . A 43 ASP C . 34407 1 499 . 1 . 1 43 43 ASP CA C 13 52.488 0.07 . 1 . . 252 . A 43 ASP CA . 34407 1 500 . 1 . 1 43 43 ASP CB C 13 43.348 0.048 . 1 . . 253 . A 43 ASP CB . 34407 1 501 . 1 . 1 43 43 ASP N N 15 127.471 0.046 . 1 . . 84 . A 43 ASP N . 34407 1 502 . 1 . 1 44 44 GLY H H 1 7.977 0.009 . 1 . . 166 . A 44 GLY H . 34407 1 503 . 1 . 1 44 44 GLY HA2 H 1 3.801 0.013 . 2 . . 740 . A 44 GLY HA2 . 34407 1 504 . 1 . 1 44 44 GLY HA3 H 1 4.249 0.009 . 2 . . 741 . A 44 GLY HA3 . 34407 1 505 . 1 . 1 44 44 GLY C C 13 171.878 0.02 . 1 . . 512 . A 44 GLY C . 34407 1 506 . 1 . 1 44 44 GLY CA C 13 45.630 0.087 . 1 . . 251 . A 44 GLY CA . 34407 1 507 . 1 . 1 44 44 GLY N N 15 107.706 0.025 . 1 . . 167 . A 44 GLY N . 34407 1 508 . 1 . 1 45 45 GLU H H 1 8.050 0.007 . 1 . . 160 . A 45 GLU H . 34407 1 509 . 1 . 1 45 45 GLU HA H 1 4.719 0.008 . 1 . . 742 . A 45 GLU HA . 34407 1 510 . 1 . 1 45 45 GLU HB2 H 1 2.073 0.016 . 2 . . 745 . A 45 GLU HB2 . 34407 1 511 . 1 . 1 45 45 GLU HB3 H 1 1.983 0.015 . 2 . . 746 . A 45 GLU HB3 . 34407 1 512 . 1 . 1 45 45 GLU HG2 H 1 2.367 0.007 . 2 . . 743 . A 45 GLU HG2 . 34407 1 513 . 1 . 1 45 45 GLU HG3 H 1 2.278 0.016 . 2 . . 744 . A 45 GLU HG3 . 34407 1 514 . 1 . 1 45 45 GLU C C 13 176.968 0.011 . 1 . . 511 . A 45 GLU C . 34407 1 515 . 1 . 1 45 45 GLU CA C 13 55.706 0.062 . 1 . . 249 . A 45 GLU CA . 34407 1 516 . 1 . 1 45 45 GLU CB C 13 31.596 0.144 . 1 . . 250 . A 45 GLU CB . 34407 1 517 . 1 . 1 45 45 GLU CG C 13 36.533 0.066 . 1 . . 579 . A 45 GLU CG . 34407 1 518 . 1 . 1 45 45 GLU N N 15 120.899 0.022 . 1 . . 161 . A 45 GLU N . 34407 1 519 . 1 . 1 46 46 TRP H H 1 9.368 0.006 . 1 . . 11 . A 46 TRP H . 34407 1 520 . 1 . 1 46 46 TRP HA H 1 5.408 0.01 . 1 . . 747 . A 46 TRP HA . 34407 1 521 . 1 . 1 46 46 TRP HB2 H 1 3.194 0.005 . 2 . . 748 . A 46 TRP HB2 . 34407 1 522 . 1 . 1 46 46 TRP HB3 H 1 3.350 0.006 . 2 . . 749 . A 46 TRP HB3 . 34407 1 523 . 1 . 1 46 46 TRP HD1 H 1 7.594 0.008 . 1 . . 955 . A 46 TRP HD1 . 34407 1 524 . 1 . 1 46 46 TRP HE1 H 1 10.552 0.006 . 1 . . 1 . A 46 TRP HE1 . 34407 1 525 . 1 . 1 46 46 TRP HE3 H 1 7.596 0.006 . 1 . . 991 . A 46 TRP HE3 . 34407 1 526 . 1 . 1 46 46 TRP HZ2 H 1 7.373 0.008 . 1 . . 1084 . A 46 TRP HZ2 . 34407 1 527 . 1 . 1 46 46 TRP HZ3 H 1 6.634 0.007 . 1 . . 1078 . A 46 TRP HZ3 . 34407 1 528 . 1 . 1 46 46 TRP HH2 H 1 6.770 0.011 . 1 . . 1088 . A 46 TRP HH2 . 34407 1 529 . 1 . 1 46 46 TRP C C 13 177.089 0.019 . 1 . . 510 . A 46 TRP C . 34407 1 530 . 1 . 1 46 46 TRP CA C 13 57.819 0.128 . 1 . . 248 . A 46 TRP CA . 34407 1 531 . 1 . 1 46 46 TRP CB C 13 30.452 0.067 . 1 . . 247 . A 46 TRP CB . 34407 1 532 . 1 . 1 46 46 TRP CD1 C 13 127.846 . . 1 . . 956 . A 46 TRP CD1 . 34407 1 533 . 1 . 1 46 46 TRP CE3 C 13 119.890 . . 1 . . 990 . A 46 TRP CE3 . 34407 1 534 . 1 . 1 46 46 TRP CZ2 C 13 114.918 . . 1 . . 1095 . A 46 TRP CZ2 . 34407 1 535 . 1 . 1 46 46 TRP CZ3 C 13 121.147 . . 1 . . 1094 . A 46 TRP CZ3 . 34407 1 536 . 1 . 1 46 46 TRP CH2 C 13 123.523 . . 1 . . 1096 . A 46 TRP CH2 . 34407 1 537 . 1 . 1 46 46 TRP N N 15 128.474 0.034 . 1 . . 12 . A 46 TRP N . 34407 1 538 . 1 . 1 46 46 TRP NE1 N 15 130.945 0.02 . 1 . . 2 . A 46 TRP NE1 . 34407 1 539 . 1 . 1 47 47 THR H H 1 9.318 0.004 . 1 . . 13 . A 47 THR H . 34407 1 540 . 1 . 1 47 47 THR HA H 1 4.858 0.011 . 1 . . 750 . A 47 THR HA . 34407 1 541 . 1 . 1 47 47 THR HB H 1 4.269 0.005 . 1 . . 751 . A 47 THR HB . 34407 1 542 . 1 . 1 47 47 THR HG21 H 1 1.220 0.006 . 1 . . 752 . A 47 THR HG21 . 34407 1 543 . 1 . 1 47 47 THR HG22 H 1 1.220 0.006 . 1 . . 752 . A 47 THR HG22 . 34407 1 544 . 1 . 1 47 47 THR HG23 H 1 1.220 0.006 . 1 . . 752 . A 47 THR HG23 . 34407 1 545 . 1 . 1 47 47 THR C C 13 172.631 0.013 . 1 . . 509 . A 47 THR C . 34407 1 546 . 1 . 1 47 47 THR CA C 13 60.583 0.05 . 1 . . 246 . A 47 THR CA . 34407 1 547 . 1 . 1 47 47 THR CB C 13 72.302 0.027 . 1 . . 245 . A 47 THR CB . 34407 1 548 . 1 . 1 47 47 THR CG2 C 13 22.014 0.077 . 1 . . 580 . A 47 THR CG2 . 34407 1 549 . 1 . 1 47 47 THR N N 15 115.017 0.018 . 1 . . 14 . A 47 THR N . 34407 1 550 . 1 . 1 48 48 TYR H H 1 8.620 0.006 . 1 . . 67 . A 48 TYR H . 34407 1 551 . 1 . 1 48 48 TYR HA H 1 5.016 0.021 . 1 . . 753 . A 48 TYR HA . 34407 1 552 . 1 . 1 48 48 TYR HB2 H 1 2.943 0.006 . 2 . . 754 . A 48 TYR HB2 . 34407 1 553 . 1 . 1 48 48 TYR HB3 H 1 2.582 0.007 . 2 . . 755 . A 48 TYR HB3 . 34407 1 554 . 1 . 1 48 48 TYR HD1 H 1 6.629 0.004 . 1 . . 1085 . A 48 TYR HD1 . 34407 1 555 . 1 . 1 48 48 TYR HD2 H 1 6.629 0.004 . 1 . . 1085 . A 48 TYR HD2 . 34407 1 556 . 1 . 1 48 48 TYR HE1 H 1 6.424 0.004 . 1 . . 946 . A 48 TYR HE1 . 34407 1 557 . 1 . 1 48 48 TYR HE2 H 1 6.424 0.004 . 1 . . 946 . A 48 TYR HE2 . 34407 1 558 . 1 . 1 48 48 TYR C C 13 173.569 0.026 . 1 . . 508 . A 48 TYR C . 34407 1 559 . 1 . 1 48 48 TYR CA C 13 56.660 0.064 . 1 . . 244 . A 48 TYR CA . 34407 1 560 . 1 . 1 48 48 TYR CB C 13 41.843 0.054 . 1 . . 243 . A 48 TYR CB . 34407 1 561 . 1 . 1 48 48 TYR CE1 C 13 117.733 . . 1 . . 947 . A 48 TYR CE1 . 34407 1 562 . 1 . 1 48 48 TYR CE2 C 13 117.733 . . 1 . . 947 . A 48 TYR CE2 . 34407 1 563 . 1 . 1 48 48 TYR N N 15 120.905 0.032 . 1 . . 68 . A 48 TYR N . 34407 1 564 . 1 . 1 49 49 ASP H H 1 7.725 0.004 . 1 . . 185 . A 49 ASP H . 34407 1 565 . 1 . 1 49 49 ASP HA H 1 4.631 0.009 . 1 . . 911 . A 49 ASP HA . 34407 1 566 . 1 . 1 49 49 ASP HB2 H 1 2.291 0.009 . 2 . . 756 . A 49 ASP HB2 . 34407 1 567 . 1 . 1 49 49 ASP HB3 H 1 2.621 0.007 . 2 . . 757 . A 49 ASP HB3 . 34407 1 568 . 1 . 1 49 49 ASP C C 13 174.609 0.014 . 1 . . 507 . A 49 ASP C . 34407 1 569 . 1 . 1 49 49 ASP CA C 13 51.873 0.024 . 1 . . 242 . A 49 ASP CA . 34407 1 570 . 1 . 1 49 49 ASP CB C 13 42.915 0.052 . 1 . . 241 . A 49 ASP CB . 34407 1 571 . 1 . 1 49 49 ASP N N 15 128.602 0.012 . 1 . . 186 . A 49 ASP N . 34407 1 572 . 1 . 1 50 50 ASP H H 1 8.532 0.004 . 1 . . 75 . A 50 ASP H . 34407 1 573 . 1 . 1 50 50 ASP HA H 1 4.096 0.015 . 1 . . 758 . A 50 ASP HA . 34407 1 574 . 1 . 1 50 50 ASP HB2 H 1 2.549 0.005 . 2 . . 759 . A 50 ASP HB2 . 34407 1 575 . 1 . 1 50 50 ASP HB3 H 1 2.820 0.008 . 2 . . 760 . A 50 ASP HB3 . 34407 1 576 . 1 . 1 50 50 ASP C C 13 178.152 0.016 . 1 . . 506 . A 50 ASP C . 34407 1 577 . 1 . 1 50 50 ASP CA C 13 56.431 0.074 . 1 . . 240 . A 50 ASP CA . 34407 1 578 . 1 . 1 50 50 ASP CB C 13 42.016 0.056 . 1 . . 239 . A 50 ASP CB . 34407 1 579 . 1 . 1 50 50 ASP N N 15 124.906 0.054 . 1 . . 76 . A 50 ASP N . 34407 1 580 . 1 . 1 51 51 ALA H H 1 8.308 0.009 . 1 . . 121 . A 51 ALA H . 34407 1 581 . 1 . 1 51 51 ALA HA H 1 4.125 0.004 . 1 . . 761 . A 51 ALA HA . 34407 1 582 . 1 . 1 51 51 ALA HB1 H 1 1.527 0.011 . 1 . . 762 . A 51 ALA HB1 . 34407 1 583 . 1 . 1 51 51 ALA HB2 H 1 1.527 0.011 . 1 . . 762 . A 51 ALA HB2 . 34407 1 584 . 1 . 1 51 51 ALA HB3 H 1 1.527 0.011 . 1 . . 762 . A 51 ALA HB3 . 34407 1 585 . 1 . 1 51 51 ALA C C 13 179.845 0.01 . 1 . . 505 . A 51 ALA C . 34407 1 586 . 1 . 1 51 51 ALA CA C 13 55.125 0.056 . 1 . . 238 . A 51 ALA CA . 34407 1 587 . 1 . 1 51 51 ALA CB C 13 18.361 0.065 . 1 . . 237 . A 51 ALA CB . 34407 1 588 . 1 . 1 51 51 ALA N N 15 120.076 0.033 . 1 . . 122 . A 51 ALA N . 34407 1 589 . 1 . 1 52 52 THR H H 1 7.010 0.006 . 1 . . 215 . A 52 THR H . 34407 1 590 . 1 . 1 52 52 THR HA H 1 4.410 0.008 . 1 . . 763 . A 52 THR HA . 34407 1 591 . 1 . 1 52 52 THR HB H 1 4.403 0.032 . 1 . . 764 . A 52 THR HB . 34407 1 592 . 1 . 1 52 52 THR HG21 H 1 1.096 0.003 . 1 . . 765 . A 52 THR HG21 . 34407 1 593 . 1 . 1 52 52 THR HG22 H 1 1.096 0.003 . 1 . . 765 . A 52 THR HG22 . 34407 1 594 . 1 . 1 52 52 THR HG23 H 1 1.096 0.003 . 1 . . 765 . A 52 THR HG23 . 34407 1 595 . 1 . 1 52 52 THR C C 13 175.127 0.02 . 1 . . 504 . A 52 THR C . 34407 1 596 . 1 . 1 52 52 THR CA C 13 60.456 0.052 . 1 . . 236 . A 52 THR CA . 34407 1 597 . 1 . 1 52 52 THR CB C 13 70.184 0.066 . 1 . . 235 . A 52 THR CB . 34407 1 598 . 1 . 1 52 52 THR CG2 C 13 21.244 0.033 . 1 . . 581 . A 52 THR CG2 . 34407 1 599 . 1 . 1 52 52 THR N N 15 103.421 0.036 . 1 . . 216 . A 52 THR N . 34407 1 600 . 1 . 1 53 53 LYS H H 1 7.860 0.004 . 1 . . 173 . A 53 LYS H . 34407 1 601 . 1 . 1 53 53 LYS HA H 1 4.158 0.009 . 1 . . 766 . A 53 LYS HA . 34407 1 602 . 1 . 1 53 53 LYS HB2 H 1 1.966 0.01 . 2 . . 769 . A 53 LYS HB2 . 34407 1 603 . 1 . 1 53 53 LYS HB3 H 1 1.909 0.003 . 2 . . 770 . A 53 LYS HB3 . 34407 1 604 . 1 . 1 53 53 LYS HG2 H 1 1.226 0.019 . 2 . . 771 . A 53 LYS HG2 . 34407 1 605 . 1 . 1 53 53 LYS HG3 H 1 1.357 0.016 . 2 . . 772 . A 53 LYS HG3 . 34407 1 606 . 1 . 1 53 53 LYS HD2 H 1 1.356 0.012 . 2 . . 912 . A 53 LYS HD2 . 34407 1 607 . 1 . 1 53 53 LYS HD3 H 1 1.437 0.017 . 2 . . 970 . A 53 LYS HD3 . 34407 1 608 . 1 . 1 53 53 LYS HE2 H 1 2.968 0.009 . 2 . . 767 . A 53 LYS HE2 . 34407 1 609 . 1 . 1 53 53 LYS HE3 H 1 3.016 0.01 . 2 . . 768 . A 53 LYS HE3 . 34407 1 610 . 1 . 1 53 53 LYS C C 13 174.952 0.005 . 1 . . 503 . A 53 LYS C . 34407 1 611 . 1 . 1 53 53 LYS CA C 13 56.989 0.035 . 1 . . 234 . A 53 LYS CA . 34407 1 612 . 1 . 1 53 53 LYS CB C 13 29.812 0.089 . 1 . . 233 . A 53 LYS CB . 34407 1 613 . 1 . 1 53 53 LYS CG C 13 24.942 0.082 . 1 . . 582 . A 53 LYS CG . 34407 1 614 . 1 . 1 53 53 LYS CD C 13 28.554 0.11 . 1 . . 583 . A 53 LYS CD . 34407 1 615 . 1 . 1 53 53 LYS CE C 13 42.886 0.043 . 1 . . 971 . A 53 LYS CE . 34407 1 616 . 1 . 1 53 53 LYS N N 15 123.454 0.027 . 1 . . 174 . A 53 LYS N . 34407 1 617 . 1 . 1 54 54 THR H H 1 7.402 0.004 . 1 . . 205 . A 54 THR H . 34407 1 618 . 1 . 1 54 54 THR HA H 1 5.548 0.006 . 1 . . 773 . A 54 THR HA . 34407 1 619 . 1 . 1 54 54 THR HB H 1 3.760 0.014 . 1 . . 774 . A 54 THR HB . 34407 1 620 . 1 . 1 54 54 THR HG21 H 1 0.996 0.008 . 1 . . 775 . A 54 THR HG21 . 34407 1 621 . 1 . 1 54 54 THR HG22 H 1 0.996 0.008 . 1 . . 775 . A 54 THR HG22 . 34407 1 622 . 1 . 1 54 54 THR HG23 H 1 0.996 0.008 . 1 . . 775 . A 54 THR HG23 . 34407 1 623 . 1 . 1 54 54 THR C C 13 175.296 0.022 . 1 . . 502 . A 54 THR C . 34407 1 624 . 1 . 1 54 54 THR CA C 13 62.144 0.064 . 1 . . 232 . A 54 THR CA . 34407 1 625 . 1 . 1 54 54 THR CB C 13 72.104 0.029 . 1 . . 231 . A 54 THR CB . 34407 1 626 . 1 . 1 54 54 THR CG2 C 13 20.786 0.073 . 1 . . 584 . A 54 THR CG2 . 34407 1 627 . 1 . 1 54 54 THR N N 15 111.210 0.051 . 1 . . 206 . A 54 THR N . 34407 1 628 . 1 . 1 55 55 TYR H H 1 10.313 0.004 . 1 . . 5 . A 55 TYR H . 34407 1 629 . 1 . 1 55 55 TYR HA H 1 5.642 0.008 . 1 . . 776 . A 55 TYR HA . 34407 1 630 . 1 . 1 55 55 TYR HB2 H 1 3.206 0.005 . 2 . . 1038 . A 55 TYR HB2 . 34407 1 631 . 1 . 1 55 55 TYR HB3 H 1 3.207 0.005 . 2 . . 1039 . A 55 TYR HB3 . 34407 1 632 . 1 . 1 55 55 TYR HD1 H 1 7.601 0.013 . 1 . . 1092 . A 55 TYR HD1 . 34407 1 633 . 1 . 1 55 55 TYR HD2 H 1 7.601 0.013 . 1 . . 1092 . A 55 TYR HD2 . 34407 1 634 . 1 . 1 55 55 TYR HE1 H 1 6.755 0.002 . 1 . . 948 . A 55 TYR HE1 . 34407 1 635 . 1 . 1 55 55 TYR HE2 H 1 6.755 0.002 . 1 . . 948 . A 55 TYR HE2 . 34407 1 636 . 1 . 1 55 55 TYR C C 13 174.683 0.029 . 1 . . 501 . A 55 TYR C . 34407 1 637 . 1 . 1 55 55 TYR CA C 13 58.191 0.042 . 1 . . 347 . A 55 TYR CA . 34407 1 638 . 1 . 1 55 55 TYR CB C 13 42.490 0.061 . 1 . . 346 . A 55 TYR CB . 34407 1 639 . 1 . 1 55 55 TYR CD1 C 13 133.516 . . 1 . . 1102 . A 55 TYR CD1 . 34407 1 640 . 1 . 1 55 55 TYR CD2 C 13 133.516 . . 1 . . 1102 . A 55 TYR CD2 . 34407 1 641 . 1 . 1 55 55 TYR N N 15 131.154 0.051 . 1 . . 6 . A 55 TYR N . 34407 1 642 . 1 . 1 56 56 THR H H 1 9.122 0.005 . 1 . . 31 . A 56 THR H . 34407 1 643 . 1 . 1 56 56 THR HA H 1 5.213 0.008 . 1 . . 777 . A 56 THR HA . 34407 1 644 . 1 . 1 56 56 THR HB H 1 3.845 0.005 . 1 . . 778 . A 56 THR HB . 34407 1 645 . 1 . 1 56 56 THR HG21 H 1 0.975 0.01 . 1 . . 779 . A 56 THR HG21 . 34407 1 646 . 1 . 1 56 56 THR HG22 H 1 0.975 0.01 . 1 . . 779 . A 56 THR HG22 . 34407 1 647 . 1 . 1 56 56 THR HG23 H 1 0.975 0.01 . 1 . . 779 . A 56 THR HG23 . 34407 1 648 . 1 . 1 56 56 THR C C 13 172.739 0.007 . 1 . . 500 . A 56 THR C . 34407 1 649 . 1 . 1 56 56 THR CA C 13 61.572 0.053 . 1 . . 345 . A 56 THR CA . 34407 1 650 . 1 . 1 56 56 THR CB C 13 71.084 0.016 . 1 . . 344 . A 56 THR CB . 34407 1 651 . 1 . 1 56 56 THR CG2 C 13 20.667 0.031 . 1 . . 585 . A 56 THR CG2 . 34407 1 652 . 1 . 1 56 56 THR N N 15 117.080 0.029 . 1 . . 32 . A 56 THR N . 34407 1 653 . 1 . 1 57 57 VAL H H 1 8.258 0.004 . 1 . . 131 . A 57 VAL H . 34407 1 654 . 1 . 1 57 57 VAL HA H 1 4.508 0.005 . 1 . . 780 . A 57 VAL HA . 34407 1 655 . 1 . 1 57 57 VAL HB H 1 -0.240 0.028 . 1 . . 782 . A 57 VAL HB . 34407 1 656 . 1 . 1 57 57 VAL HG11 H 1 0.394 0.009 . 2 . . 781 . A 57 VAL HG11 . 34407 1 657 . 1 . 1 57 57 VAL HG12 H 1 0.394 0.009 . 2 . . 781 . A 57 VAL HG12 . 34407 1 658 . 1 . 1 57 57 VAL HG13 H 1 0.394 0.009 . 2 . . 781 . A 57 VAL HG13 . 34407 1 659 . 1 . 1 57 57 VAL HG21 H 1 -0.338 0.005 . 2 . . 783 . A 57 VAL HG21 . 34407 1 660 . 1 . 1 57 57 VAL HG22 H 1 -0.338 0.005 . 2 . . 783 . A 57 VAL HG22 . 34407 1 661 . 1 . 1 57 57 VAL HG23 H 1 -0.338 0.005 . 2 . . 783 . A 57 VAL HG23 . 34407 1 662 . 1 . 1 57 57 VAL C C 13 173.359 0.026 . 1 . . 499 . A 57 VAL C . 34407 1 663 . 1 . 1 57 57 VAL CA C 13 58.106 0.035 . 1 . . 342 . A 57 VAL CA . 34407 1 664 . 1 . 1 57 57 VAL CB C 13 32.371 0.046 . 1 . . 343 . A 57 VAL CB . 34407 1 665 . 1 . 1 57 57 VAL CG1 C 13 19.755 0.038 . 2 . . 587 . A 57 VAL CG1 . 34407 1 666 . 1 . 1 57 57 VAL CG2 C 13 20.666 0.035 . 2 . . 586 . A 57 VAL CG2 . 34407 1 667 . 1 . 1 57 57 VAL N N 15 123.585 0.062 . 1 . . 132 . A 57 VAL N . 34407 1 668 . 1 . 1 58 58 THR H H 1 8.384 0.005 . 1 . . 103 . A 58 THR H . 34407 1 669 . 1 . 1 58 58 THR HA H 1 4.733 0.01 . 1 . . 784 . A 58 THR HA . 34407 1 670 . 1 . 1 58 58 THR HB H 1 3.894 0.03 . 1 . . 785 . A 58 THR HB . 34407 1 671 . 1 . 1 58 58 THR HG21 H 1 1.184 0.006 . 1 . . 786 . A 58 THR HG21 . 34407 1 672 . 1 . 1 58 58 THR HG22 H 1 1.184 0.006 . 1 . . 786 . A 58 THR HG22 . 34407 1 673 . 1 . 1 58 58 THR HG23 H 1 1.184 0.006 . 1 . . 786 . A 58 THR HG23 . 34407 1 674 . 1 . 1 58 58 THR C C 13 174.593 0.029 . 1 . . 498 . A 58 THR C . 34407 1 675 . 1 . 1 58 58 THR CA C 13 61.008 0.044 . 1 . . 340 . A 58 THR CA . 34407 1 676 . 1 . 1 58 58 THR CB C 13 70.554 0.068 . 1 . . 341 . A 58 THR CB . 34407 1 677 . 1 . 1 58 58 THR CG2 C 13 21.333 0.061 . 1 . . 588 . A 58 THR CG2 . 34407 1 678 . 1 . 1 58 58 THR N N 15 123.514 0.045 . 1 . . 104 . A 58 THR N . 34407 1 679 . 1 . 1 59 59 GLU H H 1 8.150 0.006 . 1 . . 145 . A 59 GLU H . 34407 1 680 . 1 . 1 59 59 GLU HA H 1 4.550 0.018 . 1 . . 787 . A 59 GLU HA . 34407 1 681 . 1 . 1 59 59 GLU HB2 H 1 2.062 0.014 . 2 . . 788 . A 59 GLU HB2 . 34407 1 682 . 1 . 1 59 59 GLU HB3 H 1 2.196 0.022 . 2 . . 789 . A 59 GLU HB3 . 34407 1 683 . 1 . 1 59 59 GLU HG2 H 1 2.461 0.018 . 2 . . 790 . A 59 GLU HG2 . 34407 1 684 . 1 . 1 59 59 GLU HG3 H 1 2.472 0.019 . 2 . . 913 . A 59 GLU HG3 . 34407 1 685 . 1 . 1 59 59 GLU C C 13 176.223 0.003 . 1 . . 497 . A 59 GLU C . 34407 1 686 . 1 . 1 59 59 GLU CA C 13 56.464 0.089 . 1 . . 338 . A 59 GLU CA . 34407 1 687 . 1 . 1 59 59 GLU CB C 13 31.913 0.066 . 1 . . 339 . A 59 GLU CB . 34407 1 688 . 1 . 1 59 59 GLU CG C 13 36.507 0.024 . 1 . . 589 . A 59 GLU CG . 34407 1 689 . 1 . 1 59 59 GLU N N 15 129.057 0.033 . 1 . . 146 . A 59 GLU N . 34407 1 690 . 1 . 1 60 60 GLY H H 1 8.827 0.005 . 1 . . 51 . A 60 GLY H . 34407 1 691 . 1 . 1 60 60 GLY HA2 H 1 4.132 0.009 . 2 . . 791 . A 60 GLY HA2 . 34407 1 692 . 1 . 1 60 60 GLY HA3 H 1 4.028 0.018 . 2 . . 792 . A 60 GLY HA3 . 34407 1 693 . 1 . 1 60 60 GLY C C 13 173.939 0.006 . 1 . . 496 . A 60 GLY C . 34407 1 694 . 1 . 1 60 60 GLY CA C 13 45.354 0.047 . 1 . . 337 . A 60 GLY CA . 34407 1 695 . 1 . 1 60 60 GLY N N 15 112.861 0.038 . 1 . . 52 . A 60 GLY N . 34407 1 696 . 1 . 1 61 61 SER H H 1 8.434 0.003 . 1 . . 334 . A 61 SER H . 34407 1 697 . 1 . 1 61 61 SER HA H 1 4.510 0.01 . 1 . . 914 . A 61 SER HA . 34407 1 698 . 1 . 1 61 61 SER HB2 H 1 3.912 0.008 . 2 . . 793 . A 61 SER HB2 . 34407 1 699 . 1 . 1 61 61 SER HB3 H 1 3.870 0.002 . 2 . . 915 . A 61 SER HB3 . 34407 1 700 . 1 . 1 61 61 SER C C 13 175.383 . . 1 . . 495 . A 61 SER C . 34407 1 701 . 1 . 1 61 61 SER CA C 13 58.499 0.043 . 1 . . 336 . A 61 SER CA . 34407 1 702 . 1 . 1 61 61 SER CB C 13 64.066 0.054 . 1 . . 1040 . A 61 SER CB . 34407 1 703 . 1 . 1 61 61 SER N N 15 115.599 0.055 . 1 . . 335 . A 61 SER N . 34407 1 704 . 1 . 1 62 62 GLY H H 1 8.615 0.003 . 1 . . 69 . A 62 GLY H . 34407 1 705 . 1 . 1 62 62 GLY HA2 H 1 4.001 0.001 . 2 . . 1061 . A 62 GLY HA2 . 34407 1 706 . 1 . 1 62 62 GLY HA3 H 1 4.002 0.0 . 2 . . 1062 . A 62 GLY HA3 . 34407 1 707 . 1 . 1 62 62 GLY C C 13 174.777 0.013 . 1 . . 494 . A 62 GLY C . 34407 1 708 . 1 . 1 62 62 GLY CA C 13 45.514 0.031 . 1 . . 313 . A 62 GLY CA . 34407 1 709 . 1 . 1 62 62 GLY N N 15 111.038 0.025 . 1 . . 70 . A 62 GLY N . 34407 1 710 . 1 . 1 63 63 GLY H H 1 8.343 0.004 . 1 . . 115 . A 63 GLY H . 34407 1 711 . 1 . 1 63 63 GLY HA2 H 1 3.987 0.006 . 2 . . 1063 . A 63 GLY HA2 . 34407 1 712 . 1 . 1 63 63 GLY HA3 H 1 3.987 0.006 . 2 . . 1064 . A 63 GLY HA3 . 34407 1 713 . 1 . 1 63 63 GLY C C 13 174.215 0.02 . 1 . . 493 . A 63 GLY C . 34407 1 714 . 1 . 1 63 63 GLY CA C 13 45.250 0.051 . 1 . . 312 . A 63 GLY CA . 34407 1 715 . 1 . 1 63 63 GLY N N 15 108.917 0.03 . 1 . . 116 . A 63 GLY N . 34407 1 716 . 1 . 1 64 64 ALA H H 1 8.359 0.001 . 1 . . 107 . A 64 ALA H . 34407 1 717 . 1 . 1 64 64 ALA HA H 1 4.369 0.004 . 1 . . 794 . A 64 ALA HA . 34407 1 718 . 1 . 1 64 64 ALA HB1 H 1 1.421 0.007 . 1 . . 795 . A 64 ALA HB1 . 34407 1 719 . 1 . 1 64 64 ALA HB2 H 1 1.421 0.007 . 1 . . 795 . A 64 ALA HB2 . 34407 1 720 . 1 . 1 64 64 ALA HB3 H 1 1.421 0.007 . 1 . . 795 . A 64 ALA HB3 . 34407 1 721 . 1 . 1 64 64 ALA C C 13 178.540 0.013 . 1 . . 492 . A 64 ALA C . 34407 1 722 . 1 . 1 64 64 ALA CA C 13 52.789 0.056 . 1 . . 311 . A 64 ALA CA . 34407 1 723 . 1 . 1 64 64 ALA CB C 13 19.196 0.059 . 1 . . 310 . A 64 ALA CB . 34407 1 724 . 1 . 1 64 64 ALA N N 15 124.098 0.025 . 1 . . 108 . A 64 ALA N . 34407 1 725 . 1 . 1 65 65 GLY H H 1 8.495 0.001 . 1 . . 79 . A 65 GLY H . 34407 1 726 . 1 . 1 65 65 GLY HA2 H 1 3.993 0.0 . 2 . . 1065 . A 65 GLY HA2 . 34407 1 727 . 1 . 1 65 65 GLY HA3 H 1 3.993 0.0 . 2 . . 1066 . A 65 GLY HA3 . 34407 1 728 . 1 . 1 65 65 GLY C C 13 174.960 0.004 . 1 . . 491 . A 65 GLY C . 34407 1 729 . 1 . 1 65 65 GLY CA C 13 45.510 0.036 . 1 . . 309 . A 65 GLY CA . 34407 1 730 . 1 . 1 65 65 GLY N N 15 108.302 0.035 . 1 . . 80 . A 65 GLY N . 34407 1 731 . 1 . 1 66 66 GLY H H 1 8.286 0.006 . 1 . . 127 . A 66 GLY H . 34407 1 732 . 1 . 1 66 66 GLY HA2 H 1 3.995 0.0 . 1 . . 1067 . A 66 GLY HA2 . 34407 1 733 . 1 . 1 66 66 GLY HA3 H 1 3.995 0.0 . 1 . . 1068 . A 66 GLY HA3 . 34407 1 734 . 1 . 1 66 66 GLY C C 13 174.472 0.029 . 1 . . 490 . A 66 GLY C . 34407 1 735 . 1 . 1 66 66 GLY CA C 13 45.472 0.03 . 1 . . 308 . A 66 GLY CA . 34407 1 736 . 1 . 1 66 66 GLY N N 15 108.733 0.029 . 1 . . 128 . A 66 GLY N . 34407 1 737 . 1 . 1 67 67 GLN H H 1 8.360 0.002 . 1 . . 109 . A 67 GLN H . 34407 1 738 . 1 . 1 67 67 GLN HA H 1 4.360 0.005 . 1 . . 796 . A 67 GLN HA . 34407 1 739 . 1 . 1 67 67 GLN HB2 H 1 2.019 0.008 . 2 . . 797 . A 67 GLN HB2 . 34407 1 740 . 1 . 1 67 67 GLN HB3 H 1 2.170 0.006 . 2 . . 798 . A 67 GLN HB3 . 34407 1 741 . 1 . 1 67 67 GLN HG2 H 1 2.387 0.004 . 1 . . 1041 . A 67 GLN HG2 . 34407 1 742 . 1 . 1 67 67 GLN HG3 H 1 2.387 0.004 . 1 . . 1042 . A 67 GLN HG3 . 34407 1 743 . 1 . 1 67 67 GLN C C 13 176.616 0.005 . 1 . . 489 . A 67 GLN C . 34407 1 744 . 1 . 1 67 67 GLN CA C 13 56.135 0.061 . 1 . . 306 . A 67 GLN CA . 34407 1 745 . 1 . 1 67 67 GLN CB C 13 29.347 0.075 . 1 . . 307 . A 67 GLN CB . 34407 1 746 . 1 . 1 67 67 GLN CG C 13 33.710 0.022 . 1 . . 590 . A 67 GLN CG . 34407 1 747 . 1 . 1 67 67 GLN N N 15 119.757 0.029 . 1 . . 110 . A 67 GLN N . 34407 1 748 . 1 . 1 68 68 GLY H H 1 8.515 0.003 . 1 . . 77 . A 68 GLY H . 34407 1 749 . 1 . 1 68 68 GLY HA2 H 1 3.955 0.0 . 1 . . 1069 . A 68 GLY HA2 . 34407 1 750 . 1 . 1 68 68 GLY HA3 H 1 3.955 0.0 . 1 . . 1070 . A 68 GLY HA3 . 34407 1 751 . 1 . 1 68 68 GLY C C 13 174.001 0.007 . 1 . . 488 . A 68 GLY C . 34407 1 752 . 1 . 1 68 68 GLY CA C 13 45.389 0.027 . 1 . . 394 . A 68 GLY CA . 34407 1 753 . 1 . 1 68 68 GLY N N 15 109.912 0.037 . 1 . . 78 . A 68 GLY N . 34407 1 754 . 1 . 1 69 69 MET H H 1 8.189 0.005 . 1 . . 141 . A 69 MET H . 34407 1 755 . 1 . 1 69 69 MET HA H 1 4.502 0.007 . 1 . . 799 . A 69 MET HA . 34407 1 756 . 1 . 1 69 69 MET HB2 H 1 2.009 0.011 . 2 . . 802 . A 69 MET HB2 . 34407 1 757 . 1 . 1 69 69 MET HB3 H 1 2.076 0.001 . 2 . . 803 . A 69 MET HB3 . 34407 1 758 . 1 . 1 69 69 MET HG2 H 1 2.574 0.003 . 2 . . 800 . A 69 MET HG2 . 34407 1 759 . 1 . 1 69 69 MET HG3 H 1 2.511 0.011 . 2 . . 801 . A 69 MET HG3 . 34407 1 760 . 1 . 1 69 69 MET C C 13 176.161 0.01 . 1 . . 487 . A 69 MET C . 34407 1 761 . 1 . 1 69 69 MET CA C 13 55.603 0.065 . 1 . . 395 . A 69 MET CA . 34407 1 762 . 1 . 1 69 69 MET CB C 13 33.015 0.038 . 1 . . 396 . A 69 MET CB . 34407 1 763 . 1 . 1 69 69 MET CG C 13 32.078 0.053 . 1 . . 591 . A 69 MET CG . 34407 1 764 . 1 . 1 69 69 MET N N 15 119.916 0.019 . 1 . . 142 . A 69 MET N . 34407 1 765 . 1 . 1 70 70 ILE H H 1 8.247 0.005 . 1 . . 133 . A 70 ILE H . 34407 1 766 . 1 . 1 70 70 ILE HA H 1 4.181 0.006 . 1 . . 804 . A 70 ILE HA . 34407 1 767 . 1 . 1 70 70 ILE HB H 1 1.882 0.009 . 1 . . 805 . A 70 ILE HB . 34407 1 768 . 1 . 1 70 70 ILE HG12 H 1 1.497 0.009 . 2 . . 806 . A 70 ILE HG12 . 34407 1 769 . 1 . 1 70 70 ILE HG13 H 1 1.209 0.008 . 2 . . 807 . A 70 ILE HG13 . 34407 1 770 . 1 . 1 70 70 ILE HG21 H 1 0.915 0.007 . 1 . . 808 . A 70 ILE HG21 . 34407 1 771 . 1 . 1 70 70 ILE HG22 H 1 0.915 0.007 . 1 . . 808 . A 70 ILE HG22 . 34407 1 772 . 1 . 1 70 70 ILE HG23 H 1 0.915 0.007 . 1 . . 808 . A 70 ILE HG23 . 34407 1 773 . 1 . 1 70 70 ILE HD11 H 1 0.873 0.003 . 1 . . 992 . A 70 ILE HD11 . 34407 1 774 . 1 . 1 70 70 ILE HD12 H 1 0.873 0.003 . 1 . . 992 . A 70 ILE HD12 . 34407 1 775 . 1 . 1 70 70 ILE HD13 H 1 0.873 0.003 . 1 . . 992 . A 70 ILE HD13 . 34407 1 776 . 1 . 1 70 70 ILE C C 13 176.059 0.002 . 1 . . 486 . A 70 ILE C . 34407 1 777 . 1 . 1 70 70 ILE CA C 13 61.119 0.074 . 1 . . 398 . A 70 ILE CA . 34407 1 778 . 1 . 1 70 70 ILE CB C 13 38.673 0.047 . 1 . . 397 . A 70 ILE CB . 34407 1 779 . 1 . 1 70 70 ILE CG1 C 13 27.392 0.062 . 1 . . 592 . A 70 ILE CG1 . 34407 1 780 . 1 . 1 70 70 ILE CG2 C 13 17.581 0.049 . 1 . . 593 . A 70 ILE CG2 . 34407 1 781 . 1 . 1 70 70 ILE CD1 C 13 12.837 0.035 . 1 . . 594 . A 70 ILE CD1 . 34407 1 782 . 1 . 1 70 70 ILE N N 15 122.760 0.059 . 1 . . 134 . A 70 ILE N . 34407 1 783 . 1 . 1 71 71 GLN H H 1 8.494 0.012 . 1 . . 81 . A 71 GLN H . 34407 1 784 . 1 . 1 71 71 GLN HA H 1 4.402 0.005 . 1 . . 809 . A 71 GLN HA . 34407 1 785 . 1 . 1 71 71 GLN HB2 H 1 2.068 0.014 . 2 . . 810 . A 71 GLN HB2 . 34407 1 786 . 1 . 1 71 71 GLN HB3 H 1 1.981 0.005 . 2 . . 811 . A 71 GLN HB3 . 34407 1 787 . 1 . 1 71 71 GLN HG2 H 1 2.351 0.005 . 2 . . 1003 . A 71 GLN HG2 . 34407 1 788 . 1 . 1 71 71 GLN HG3 H 1 2.351 0.005 . 2 . . 1004 . A 71 GLN HG3 . 34407 1 789 . 1 . 1 71 71 GLN HE21 H 1 7.553 0.001 . 1 . . 193 . A 71 GLN HE21 . 34407 1 790 . 1 . 1 71 71 GLN HE22 H 1 6.875 0.006 . 1 . . 224 . A 71 GLN HE22 . 34407 1 791 . 1 . 1 71 71 GLN C C 13 175.428 0.022 . 1 . . 485 . A 71 GLN C . 34407 1 792 . 1 . 1 71 71 GLN CA C 13 55.465 0.054 . 1 . . 399 . A 71 GLN CA . 34407 1 793 . 1 . 1 71 71 GLN CB C 13 29.669 0.116 . 1 . . 1043 . A 71 GLN CB . 34407 1 794 . 1 . 1 71 71 GLN CG C 13 33.772 0.075 . 1 . . 1044 . A 71 GLN CG . 34407 1 795 . 1 . 1 71 71 GLN N N 15 125.073 0.068 . 1 . . 82 . A 71 GLN N . 34407 1 796 . 1 . 1 71 71 GLN NE2 N 15 112.031 0.046 . 1 . . 194 . A 71 GLN NE2 . 34407 1 797 . 1 . 1 72 72 GLU H H 1 8.482 0.006 . 1 . . 85 . A 72 GLU H . 34407 1 798 . 1 . 1 72 72 GLU HA H 1 4.613 0.012 . 1 . . 1109 . A 72 GLU HA . 34407 1 799 . 1 . 1 72 72 GLU HB2 H 1 1.990 0.008 . 2 . . 1110 . A 72 GLU HB2 . 34407 1 800 . 1 . 1 72 72 GLU HB3 H 1 1.918 0.008 . 2 . . 1112 . A 72 GLU HB3 . 34407 1 801 . 1 . 1 72 72 GLU HG2 H 1 2.334 0.007 . 1 . . 1107 . A 72 GLU HG2 . 34407 1 802 . 1 . 1 72 72 GLU HG3 H 1 2.332 0.008 . 1 . . 1108 . A 72 GLU HG3 . 34407 1 803 . 1 . 1 72 72 GLU C C 13 174.306 . . 1 . . 484 . A 72 GLU C . 34407 1 804 . 1 . 1 72 72 GLU CA C 13 54.270 0.063 . 1 . . 410 . A 72 GLU CA . 34407 1 805 . 1 . 1 72 72 GLU CB C 13 29.955 0.121 . 1 . . 411 . A 72 GLU CB . 34407 1 806 . 1 . 1 72 72 GLU CG C 13 36.284 0.087 . 1 . . 1111 . A 72 GLU CG . 34407 1 807 . 1 . 1 72 72 GLU N N 15 124.252 0.036 . 1 . . 86 . A 72 GLU N . 34407 1 808 . 1 . 1 73 73 PRO HA H 1 4.414 0.011 . 1 . . 812 . A 73 PRO HA . 34407 1 809 . 1 . 1 73 73 PRO HB2 H 1 2.344 0.007 . 2 . . 813 . A 73 PRO HB2 . 34407 1 810 . 1 . 1 73 73 PRO HB3 H 1 1.784 0.006 . 2 . . 814 . A 73 PRO HB3 . 34407 1 811 . 1 . 1 73 73 PRO HG2 H 1 2.036 0.013 . 2 . . 1045 . A 73 PRO HG2 . 34407 1 812 . 1 . 1 73 73 PRO HG3 H 1 2.057 0.009 . 2 . . 1046 . A 73 PRO HG3 . 34407 1 813 . 1 . 1 73 73 PRO HD2 H 1 3.899 0.015 . 2 . . 972 . A 73 PRO HD2 . 34407 1 814 . 1 . 1 73 73 PRO HD3 H 1 3.554 0.011 . 2 . . 973 . A 73 PRO HD3 . 34407 1 815 . 1 . 1 73 73 PRO C C 13 176.064 . . 1 . . 483 . A 73 PRO C . 34407 1 816 . 1 . 1 73 73 PRO CA C 13 62.832 0.041 . 1 . . 413 . A 73 PRO CA . 34407 1 817 . 1 . 1 73 73 PRO CB C 13 32.209 0.113 . 1 . . 412 . A 73 PRO CB . 34407 1 818 . 1 . 1 73 73 PRO CG C 13 27.716 0.088 . 1 . . 595 . A 73 PRO CG . 34407 1 819 . 1 . 1 73 73 PRO CD C 13 50.679 0.099 . 1 . . 1151 . A 73 PRO CD . 34407 1 820 . 1 . 1 74 74 ALA H H 1 8.349 0.006 . 1 . . 111 . A 74 ALA H . 34407 1 821 . 1 . 1 74 74 ALA HA H 1 4.246 0.004 . 1 . . 815 . A 74 ALA HA . 34407 1 822 . 1 . 1 74 74 ALA HB1 H 1 1.393 0.004 . 1 . . 816 . A 74 ALA HB1 . 34407 1 823 . 1 . 1 74 74 ALA HB2 H 1 1.393 0.004 . 1 . . 816 . A 74 ALA HB2 . 34407 1 824 . 1 . 1 74 74 ALA HB3 H 1 1.393 0.004 . 1 . . 816 . A 74 ALA HB3 . 34407 1 825 . 1 . 1 74 74 ALA C C 13 178.119 0.009 . 1 . . 482 . A 74 ALA C . 34407 1 826 . 1 . 1 74 74 ALA CA C 13 52.039 0.055 . 1 . . 392 . A 74 ALA CA . 34407 1 827 . 1 . 1 74 74 ALA CB C 13 19.322 0.067 . 1 . . 393 . A 74 ALA CB . 34407 1 828 . 1 . 1 74 74 ALA N N 15 124.582 0.046 . 1 . . 112 . A 74 ALA N . 34407 1 829 . 1 . 1 75 75 LEU H H 1 8.397 0.007 . 1 . . 101 . A 75 LEU H . 34407 1 830 . 1 . 1 75 75 LEU HA H 1 4.134 0.004 . 1 . . 998 . A 75 LEU HA . 34407 1 831 . 1 . 1 75 75 LEU HB2 H 1 1.767 0.008 . 2 . . 999 . A 75 LEU HB2 . 34407 1 832 . 1 . 1 75 75 LEU HB3 H 1 1.406 0.005 . 2 . . 1000 . A 75 LEU HB3 . 34407 1 833 . 1 . 1 75 75 LEU HG H 1 1.080 0.004 . 1 . . 994 . A 75 LEU HG . 34407 1 834 . 1 . 1 75 75 LEU HD11 H 1 0.758 0.004 . 1 . . 1014 . A 75 LEU HD11 . 34407 1 835 . 1 . 1 75 75 LEU HD12 H 1 0.758 0.004 . 1 . . 1014 . A 75 LEU HD12 . 34407 1 836 . 1 . 1 75 75 LEU HD13 H 1 0.758 0.004 . 1 . . 1014 . A 75 LEU HD13 . 34407 1 837 . 1 . 1 75 75 LEU C C 13 174.215 . . 1 . . 481 . A 75 LEU C . 34407 1 838 . 1 . 1 75 75 LEU CA C 13 53.174 0.076 . 1 . . 414 . A 75 LEU CA . 34407 1 839 . 1 . 1 75 75 LEU CB C 13 41.193 0.054 . 1 . . 415 . A 75 LEU CB . 34407 1 840 . 1 . 1 75 75 LEU CG C 13 26.697 0.167 . 1 . . 993 . A 75 LEU CG . 34407 1 841 . 1 . 1 75 75 LEU CD1 C 13 23.641 0.025 . 1 . . 1047 . A 75 LEU CD1 . 34407 1 842 . 1 . 1 75 75 LEU N N 15 120.641 0.017 . 1 . . 102 . A 75 LEU N . 34407 1 843 . 1 . 1 76 76 PRO HA H 1 4.716 0.006 . 1 . . 1150 . A 76 PRO HA . 34407 1 844 . 1 . 1 76 76 PRO HB2 H 1 1.840 0.015 . 2 . . 1048 . A 76 PRO HB2 . 34407 1 845 . 1 . 1 76 76 PRO HB3 H 1 2.425 0.012 . 2 . . 1049 . A 76 PRO HB3 . 34407 1 846 . 1 . 1 76 76 PRO HG2 H 1 1.246 0.003 . 2 . . 1010 . A 76 PRO HG2 . 34407 1 847 . 1 . 1 76 76 PRO HG3 H 1 1.634 0.011 . 2 . . 1011 . A 76 PRO HG3 . 34407 1 848 . 1 . 1 76 76 PRO HD2 H 1 2.681 0.005 . 2 . . 1006 . A 76 PRO HD2 . 34407 1 849 . 1 . 1 76 76 PRO HD3 H 1 3.237 0.004 . 2 . . 1007 . A 76 PRO HD3 . 34407 1 850 . 1 . 1 76 76 PRO CA C 13 61.459 0.131 . 1 . . 1117 . A 76 PRO CA . 34407 1 851 . 1 . 1 76 76 PRO CB C 13 29.458 0.091 . 1 . . 1008 . A 76 PRO CB . 34407 1 852 . 1 . 1 76 76 PRO CG C 13 27.026 0.027 . 1 . . 1009 . A 76 PRO CG . 34407 1 853 . 1 . 1 76 76 PRO CD C 13 49.902 0.021 . 1 . . 1005 . A 76 PRO CD . 34407 1 854 . 1 . 1 77 77 PRO HA H 1 4.466 0.006 . 1 . . 817 . A 77 PRO HA . 34407 1 855 . 1 . 1 77 77 PRO HB2 H 1 2.355 0.003 . 2 . . 1147 . A 77 PRO HB2 . 34407 1 856 . 1 . 1 77 77 PRO HB3 H 1 2.411 0.008 . 2 . . 1148 . A 77 PRO HB3 . 34407 1 857 . 1 . 1 77 77 PRO HG2 H 1 2.069 0.014 . 2 . . 926 . A 77 PRO HG2 . 34407 1 858 . 1 . 1 77 77 PRO HG3 H 1 2.207 0.005 . 2 . . 1146 . A 77 PRO HG3 . 34407 1 859 . 1 . 1 77 77 PRO HD2 H 1 3.656 0.006 . 2 . . 927 . A 77 PRO HD2 . 34407 1 860 . 1 . 1 77 77 PRO HD3 H 1 3.911 0.011 . 2 . . 928 . A 77 PRO HD3 . 34407 1 861 . 1 . 1 77 77 PRO C C 13 178.582 0.002 . 1 . . 480 . A 77 PRO C . 34407 1 862 . 1 . 1 77 77 PRO CA C 13 64.084 0.037 . 1 . . 416 . A 77 PRO CA . 34407 1 863 . 1 . 1 77 77 PRO CB C 13 31.825 0.109 . 1 . . 417 . A 77 PRO CB . 34407 1 864 . 1 . 1 77 77 PRO CG C 13 27.762 0.084 . 1 . . 1152 . A 77 PRO CG . 34407 1 865 . 1 . 1 77 77 PRO CD C 13 50.512 0.1 . 1 . . 929 . A 77 PRO CD . 34407 1 866 . 1 . 1 78 78 GLY H H 1 9.002 0.005 . 1 . . 37 . A 78 GLY H . 34407 1 867 . 1 . 1 78 78 GLY HA2 H 1 4.283 0.012 . 2 . . 818 . A 78 GLY HA2 . 34407 1 868 . 1 . 1 78 78 GLY HA3 H 1 3.816 0.009 . 2 . . 819 . A 78 GLY HA3 . 34407 1 869 . 1 . 1 78 78 GLY C C 13 172.624 0.006 . 1 . . 479 . A 78 GLY C . 34407 1 870 . 1 . 1 78 78 GLY CA C 13 45.768 0.036 . 1 . . 391 . A 78 GLY CA . 34407 1 871 . 1 . 1 78 78 GLY N N 15 112.774 0.024 . 1 . . 38 . A 78 GLY N . 34407 1 872 . 1 . 1 79 79 TRP H H 1 7.811 0.023 . 1 . . 179 . A 79 TRP H . 34407 1 873 . 1 . 1 79 79 TRP HA H 1 5.798 0.006 . 1 . . 820 . A 79 TRP HA . 34407 1 874 . 1 . 1 79 79 TRP HB2 H 1 3.314 0.008 . 2 . . 821 . A 79 TRP HB2 . 34407 1 875 . 1 . 1 79 79 TRP HB3 H 1 3.028 0.004 . 2 . . 822 . A 79 TRP HB3 . 34407 1 876 . 1 . 1 79 79 TRP HD1 H 1 7.051 0.004 . 1 . . 1079 . A 79 TRP HD1 . 34407 1 877 . 1 . 1 79 79 TRP HE1 H 1 10.332 0.006 . 1 . . 4 . A 79 TRP HE1 . 34407 1 878 . 1 . 1 79 79 TRP HE3 H 1 7.290 0.005 . 1 . . 1080 . A 79 TRP HE3 . 34407 1 879 . 1 . 1 79 79 TRP HZ2 H 1 7.380 0.003 . 1 . . 1082 . A 79 TRP HZ2 . 34407 1 880 . 1 . 1 79 79 TRP HZ3 H 1 6.773 0.003 . 1 . . 1081 . A 79 TRP HZ3 . 34407 1 881 . 1 . 1 79 79 TRP HH2 H 1 7.109 0.002 . 1 . . 1083 . A 79 TRP HH2 . 34407 1 882 . 1 . 1 79 79 TRP C C 13 176.981 0.012 . 1 . . 478 . A 79 TRP C . 34407 1 883 . 1 . 1 79 79 TRP CA C 13 56.707 0.068 . 1 . . 389 . A 79 TRP CA . 34407 1 884 . 1 . 1 79 79 TRP CB C 13 31.674 0.145 . 1 . . 390 . A 79 TRP CB . 34407 1 885 . 1 . 1 79 79 TRP CD1 C 13 127.554 . . 1 . . 1098 . A 79 TRP CD1 . 34407 1 886 . 1 . 1 79 79 TRP CE3 C 13 119.147 0.089 . 1 . . 1100 . A 79 TRP CE3 . 34407 1 887 . 1 . 1 79 79 TRP CZ2 C 13 115.850 . . 1 . . 1097 . A 79 TRP CZ2 . 34407 1 888 . 1 . 1 79 79 TRP CZ3 C 13 121.478 . . 1 . . 1099 . A 79 TRP CZ3 . 34407 1 889 . 1 . 1 79 79 TRP CH2 C 13 124.501 . . 1 . . 1101 . A 79 TRP CH2 . 34407 1 890 . 1 . 1 79 79 TRP N N 15 118.410 0.041 . 1 . . 180 . A 79 TRP N . 34407 1 891 . 1 . 1 79 79 TRP NE1 N 15 130.187 0.031 . 1 . . 3 . A 79 TRP NE1 . 34407 1 892 . 1 . 1 80 80 GLU H H 1 9.413 0.005 . 1 . . 9 . A 80 GLU H . 34407 1 893 . 1 . 1 80 80 GLU HA H 1 4.764 0.003 . 1 . . 823 . A 80 GLU HA . 34407 1 894 . 1 . 1 80 80 GLU HB2 H 1 2.027 0.008 . 2 . . 1126 . A 80 GLU HB2 . 34407 1 895 . 1 . 1 80 80 GLU HB3 H 1 2.163 0.01 . 2 . . 1127 . A 80 GLU HB3 . 34407 1 896 . 1 . 1 80 80 GLU HG2 H 1 2.338 0.004 . 2 . . 1050 . A 80 GLU HG2 . 34407 1 897 . 1 . 1 80 80 GLU HG3 H 1 2.335 0.002 . 2 . . 1051 . A 80 GLU HG3 . 34407 1 898 . 1 . 1 80 80 GLU C C 13 173.732 0.005 . 1 . . 477 . A 80 GLU C . 34407 1 899 . 1 . 1 80 80 GLU CA C 13 55.052 0.054 . 1 . . 388 . A 80 GLU CA . 34407 1 900 . 1 . 1 80 80 GLU CB C 13 35.077 0.041 . 1 . . 387 . A 80 GLU CB . 34407 1 901 . 1 . 1 80 80 GLU CG C 13 36.417 0.027 . 1 . . 596 . A 80 GLU CG . 34407 1 902 . 1 . 1 80 80 GLU N N 15 121.178 0.034 . 1 . . 10 . A 80 GLU N . 34407 1 903 . 1 . 1 81 81 MET H H 1 8.944 0.005 . 1 . . 43 . A 81 MET H . 34407 1 904 . 1 . 1 81 81 MET HA H 1 4.592 0.012 . 1 . . 824 . A 81 MET HA . 34407 1 905 . 1 . 1 81 81 MET HB2 H 1 1.991 0.005 . 2 . . 825 . A 81 MET HB2 . 34407 1 906 . 1 . 1 81 81 MET HB3 H 1 1.768 0.002 . 2 . . 826 . A 81 MET HB3 . 34407 1 907 . 1 . 1 81 81 MET HG2 H 1 1.758 0.01 . 2 . . 930 . A 81 MET HG2 . 34407 1 908 . 1 . 1 81 81 MET HG3 H 1 1.700 0.005 . 2 . . 931 . A 81 MET HG3 . 34407 1 909 . 1 . 1 81 81 MET C C 13 174.166 0.006 . 1 . . 476 . A 81 MET C . 34407 1 910 . 1 . 1 81 81 MET CA C 13 54.813 0.055 . 1 . . 386 . A 81 MET CA . 34407 1 911 . 1 . 1 81 81 MET CB C 13 35.528 0.096 . 1 . . 418 . A 81 MET CB . 34407 1 912 . 1 . 1 81 81 MET CG C 13 30.903 0.158 . 1 . . 597 . A 81 MET CG . 34407 1 913 . 1 . 1 81 81 MET N N 15 125.623 0.025 . 1 . . 44 . A 81 MET N . 34407 1 914 . 1 . 1 82 82 LYS H H 1 8.316 0.005 . 1 . . 119 . A 82 LYS H . 34407 1 915 . 1 . 1 82 82 LYS HA H 1 4.318 0.006 . 1 . . 827 . A 82 LYS HA . 34407 1 916 . 1 . 1 82 82 LYS HB2 H 1 1.352 0.006 . 2 . . 828 . A 82 LYS HB2 . 34407 1 917 . 1 . 1 82 82 LYS HB3 H 1 -0.081 0.008 . 2 . . 916 . A 82 LYS HB3 . 34407 1 918 . 1 . 1 82 82 LYS HG2 H 1 0.877 0.006 . 2 . . 829 . A 82 LYS HG2 . 34407 1 919 . 1 . 1 82 82 LYS HG3 H 1 1.051 0.014 . 2 . . 830 . A 82 LYS HG3 . 34407 1 920 . 1 . 1 82 82 LYS HD2 H 1 1.507 0.004 . 1 . . 1052 . A 82 LYS HD2 . 34407 1 921 . 1 . 1 82 82 LYS HD3 H 1 1.507 0.004 . 1 . . 1053 . A 82 LYS HD3 . 34407 1 922 . 1 . 1 82 82 LYS HE2 H 1 2.909 0.025 . 2 . . 976 . A 82 LYS HE2 . 34407 1 923 . 1 . 1 82 82 LYS HE3 H 1 2.845 0.015 . 2 . . 977 . A 82 LYS HE3 . 34407 1 924 . 1 . 1 82 82 LYS C C 13 172.311 0.018 . 1 . . 475 . A 82 LYS C . 34407 1 925 . 1 . 1 82 82 LYS CA C 13 53.963 0.077 . 1 . . 384 . A 82 LYS CA . 34407 1 926 . 1 . 1 82 82 LYS CB C 13 36.333 0.061 . 1 . . 385 . A 82 LYS CB . 34407 1 927 . 1 . 1 82 82 LYS CG C 13 25.291 0.044 . 1 . . 598 . A 82 LYS CG . 34407 1 928 . 1 . 1 82 82 LYS CD C 13 28.782 0.075 . 1 . . 974 . A 82 LYS CD . 34407 1 929 . 1 . 1 82 82 LYS CE C 13 41.896 0.088 . 1 . . 975 . A 82 LYS CE . 34407 1 930 . 1 . 1 82 82 LYS N N 15 127.110 0.033 . 1 . . 120 . A 82 LYS N . 34407 1 931 . 1 . 1 83 83 TYR H H 1 8.010 0.006 . 1 . . 164 . A 83 TYR H . 34407 1 932 . 1 . 1 83 83 TYR HA H 1 5.444 0.006 . 1 . . 831 . A 83 TYR HA . 34407 1 933 . 1 . 1 83 83 TYR HB2 H 1 2.647 0.023 . 2 . . 832 . A 83 TYR HB2 . 34407 1 934 . 1 . 1 83 83 TYR HB3 H 1 2.798 0.006 . 2 . . 833 . A 83 TYR HB3 . 34407 1 935 . 1 . 1 83 83 TYR HD1 H 1 6.872 0.028 . 1 . . 1086 . A 83 TYR HD1 . 34407 1 936 . 1 . 1 83 83 TYR HD2 H 1 6.872 0.028 . 1 . . 1086 . A 83 TYR HD2 . 34407 1 937 . 1 . 1 83 83 TYR HE1 H 1 6.744 0.004 . 1 . . 1087 . A 83 TYR HE1 . 34407 1 938 . 1 . 1 83 83 TYR HE2 H 1 6.744 0.004 . 1 . . 1087 . A 83 TYR HE2 . 34407 1 939 . 1 . 1 83 83 TYR C C 13 178.579 0.008 . 1 . . 474 . A 83 TYR C . 34407 1 940 . 1 . 1 83 83 TYR CA C 13 56.513 0.045 . 1 . . 383 . A 83 TYR CA . 34407 1 941 . 1 . 1 83 83 TYR CB C 13 42.500 0.07 . 1 . . 382 . A 83 TYR CB . 34407 1 942 . 1 . 1 83 83 TYR CD1 C 13 133.375 . . 1 . . 950 . A 83 TYR CD1 . 34407 1 943 . 1 . 1 83 83 TYR CD2 C 13 133.375 . . 1 . . 950 . A 83 TYR CD2 . 34407 1 944 . 1 . 1 83 83 TYR CE1 C 13 118.213 . . 1 . . 949 . A 83 TYR CE1 . 34407 1 945 . 1 . 1 83 83 TYR CE2 C 13 118.213 . . 1 . . 949 . A 83 TYR CE2 . 34407 1 946 . 1 . 1 83 83 TYR N N 15 113.842 0.029 . 1 . . 165 . A 83 TYR N . 34407 1 947 . 1 . 1 84 84 THR H H 1 9.610 0.004 . 1 . . 7 . A 84 THR H . 34407 1 948 . 1 . 1 84 84 THR HA H 1 4.980 0.007 . 1 . . 1001 . A 84 THR HA . 34407 1 949 . 1 . 1 84 84 THR HB H 1 4.964 0.008 . 1 . . 978 . A 84 THR HB . 34407 1 950 . 1 . 1 84 84 THR HG21 H 1 1.478 0.006 . 1 . . 1012 . A 84 THR HG21 . 34407 1 951 . 1 . 1 84 84 THR HG22 H 1 1.478 0.006 . 1 . . 1012 . A 84 THR HG22 . 34407 1 952 . 1 . 1 84 84 THR HG23 H 1 1.478 0.006 . 1 . . 1012 . A 84 THR HG23 . 34407 1 953 . 1 . 1 84 84 THR CA C 13 60.947 0.046 . 1 . . 419 . A 84 THR CA . 34407 1 954 . 1 . 1 84 84 THR CB C 13 72.172 0.032 . 1 . . 420 . A 84 THR CB . 34407 1 955 . 1 . 1 84 84 THR CG2 C 13 22.331 0.046 . 1 . . 1013 . A 84 THR CG2 . 34407 1 956 . 1 . 1 84 84 THR N N 15 114.028 0.016 . 1 . . 8 . A 84 THR N . 34407 1 957 . 1 . 1 85 85 SER HA H 1 4.297 0.005 . 1 . . 1054 . A 85 SER HA . 34407 1 958 . 1 . 1 85 85 SER HB2 H 1 4.072 0.004 . 2 . . 834 . A 85 SER HB2 . 34407 1 959 . 1 . 1 85 85 SER HB3 H 1 4.020 0.006 . 2 . . 917 . A 85 SER HB3 . 34407 1 960 . 1 . 1 85 85 SER C C 13 175.393 . . 1 . . 473 . A 85 SER C . 34407 1 961 . 1 . 1 85 85 SER CA C 13 61.724 0.143 . 1 . . 421 . A 85 SER CA . 34407 1 962 . 1 . 1 85 85 SER CB C 13 62.706 0.07 . 1 . . 422 . A 85 SER CB . 34407 1 963 . 1 . 1 86 86 GLU H H 1 7.760 0.008 . 1 . . 183 . A 86 GLU H . 34407 1 964 . 1 . 1 86 86 GLU HA H 1 4.504 0.008 . 1 . . 835 . A 86 GLU HA . 34407 1 965 . 1 . 1 86 86 GLU HB2 H 1 2.315 0.003 . 2 . . 836 . A 86 GLU HB2 . 34407 1 966 . 1 . 1 86 86 GLU HB3 H 1 1.911 0.005 . 2 . . 837 . A 86 GLU HB3 . 34407 1 967 . 1 . 1 86 86 GLU HG2 H 1 2.361 0.004 . 1 . . 979 . A 86 GLU HG2 . 34407 1 968 . 1 . 1 86 86 GLU HG3 H 1 2.304 0.01 . 1 . . 980 . A 86 GLU HG3 . 34407 1 969 . 1 . 1 86 86 GLU C C 13 176.540 0.002 . 1 . . 472 . A 86 GLU C . 34407 1 970 . 1 . 1 86 86 GLU CA C 13 56.455 0.065 . 1 . . 381 . A 86 GLU CA . 34407 1 971 . 1 . 1 86 86 GLU CB C 13 29.560 0.081 . 1 . . 380 . A 86 GLU CB . 34407 1 972 . 1 . 1 86 86 GLU CG C 13 36.989 0.065 . 1 . . 599 . A 86 GLU CG . 34407 1 973 . 1 . 1 86 86 GLU N N 15 117.454 0.034 . 1 . . 184 . A 86 GLU N . 34407 1 974 . 1 . 1 87 87 GLY H H 1 8.233 0.004 . 1 . . 137 . A 87 GLY H . 34407 1 975 . 1 . 1 87 87 GLY HA2 H 1 4.281 0.005 . 2 . . 838 . A 87 GLY HA2 . 34407 1 976 . 1 . 1 87 87 GLY HA3 H 1 3.726 0.006 . 2 . . 839 . A 87 GLY HA3 . 34407 1 977 . 1 . 1 87 87 GLY C C 13 174.041 0.002 . 1 . . 471 . A 87 GLY C . 34407 1 978 . 1 . 1 87 87 GLY CA C 13 45.759 0.05 . 1 . . 379 . A 87 GLY CA . 34407 1 979 . 1 . 1 87 87 GLY N N 15 108.305 0.049 . 1 . . 138 . A 87 GLY N . 34407 1 980 . 1 . 1 88 88 VAL H H 1 7.650 0.013 . 1 . . 189 . A 88 VAL H . 34407 1 981 . 1 . 1 88 88 VAL HA H 1 4.169 0.004 . 1 . . 840 . A 88 VAL HA . 34407 1 982 . 1 . 1 88 88 VAL HB H 1 2.300 0.007 . 1 . . 841 . A 88 VAL HB . 34407 1 983 . 1 . 1 88 88 VAL HG11 H 1 1.167 0.012 . 2 . . 1124 . A 88 VAL HG11 . 34407 1 984 . 1 . 1 88 88 VAL HG12 H 1 1.167 0.012 . 2 . . 1124 . A 88 VAL HG12 . 34407 1 985 . 1 . 1 88 88 VAL HG13 H 1 1.167 0.012 . 2 . . 1124 . A 88 VAL HG13 . 34407 1 986 . 1 . 1 88 88 VAL HG21 H 1 0.921 0.008 . 2 . . 1125 . A 88 VAL HG21 . 34407 1 987 . 1 . 1 88 88 VAL HG22 H 1 0.921 0.008 . 2 . . 1125 . A 88 VAL HG22 . 34407 1 988 . 1 . 1 88 88 VAL HG23 H 1 0.921 0.008 . 2 . . 1125 . A 88 VAL HG23 . 34407 1 989 . 1 . 1 88 88 VAL C C 13 175.843 0.024 . 1 . . 470 . A 88 VAL C . 34407 1 990 . 1 . 1 88 88 VAL CA C 13 62.878 0.045 . 1 . . 377 . A 88 VAL CA . 34407 1 991 . 1 . 1 88 88 VAL CB C 13 32.169 0.102 . 1 . . 378 . A 88 VAL CB . 34407 1 992 . 1 . 1 88 88 VAL CG1 C 13 21.641 0.197 . 2 . . 1142 . A 88 VAL CG1 . 34407 1 993 . 1 . 1 88 88 VAL CG2 C 13 21.822 0.037 . 2 . . 1141 . A 88 VAL CG2 . 34407 1 994 . 1 . 1 88 88 VAL N N 15 121.996 0.016 . 1 . . 190 . A 88 VAL N . 34407 1 995 . 1 . 1 89 89 ARG H H 1 8.757 0.006 . 1 . . 55 . A 89 ARG H . 34407 1 996 . 1 . 1 89 89 ARG HA H 1 4.289 0.006 . 1 . . 842 . A 89 ARG HA . 34407 1 997 . 1 . 1 89 89 ARG HB2 H 1 1.650 0.006 . 2 . . 844 . A 89 ARG HB2 . 34407 1 998 . 1 . 1 89 89 ARG HB3 H 1 1.610 0.002 . 2 . . 845 . A 89 ARG HB3 . 34407 1 999 . 1 . 1 89 89 ARG HG2 H 1 1.134 0.008 . 2 . . 846 . A 89 ARG HG2 . 34407 1 1000 . 1 . 1 89 89 ARG HG3 H 1 0.957 0.003 . 2 . . 847 . A 89 ARG HG3 . 34407 1 1001 . 1 . 1 89 89 ARG HD2 H 1 3.160 0.005 . 2 . . 843 . A 89 ARG HD2 . 34407 1 1002 . 1 . 1 89 89 ARG HD3 H 1 3.208 0.014 . 2 . . 918 . A 89 ARG HD3 . 34407 1 1003 . 1 . 1 89 89 ARG C C 13 175.066 0.002 . 1 . . 469 . A 89 ARG C . 34407 1 1004 . 1 . 1 89 89 ARG CA C 13 56.032 0.052 . 1 . . 375 . A 89 ARG CA . 34407 1 1005 . 1 . 1 89 89 ARG CB C 13 31.501 0.084 . 1 . . 376 . A 89 ARG CB . 34407 1 1006 . 1 . 1 89 89 ARG CG C 13 26.811 0.079 . 1 . . 600 . A 89 ARG CG . 34407 1 1007 . 1 . 1 89 89 ARG CD C 13 44.322 0.067 . 1 . . 981 . A 89 ARG CD . 34407 1 1008 . 1 . 1 89 89 ARG N N 15 130.115 0.03 . 1 . . 56 . A 89 ARG N . 34407 1 1009 . 1 . 1 90 90 TYR H H 1 8.730 0.007 . 1 . . 59 . A 90 TYR H . 34407 1 1010 . 1 . 1 90 90 TYR HA H 1 4.557 0.005 . 1 . . 848 . A 90 TYR HA . 34407 1 1011 . 1 . 1 90 90 TYR HB2 H 1 2.569 0.005 . 2 . . 849 . A 90 TYR HB2 . 34407 1 1012 . 1 . 1 90 90 TYR HB3 H 1 2.302 0.006 . 2 . . 850 . A 90 TYR HB3 . 34407 1 1013 . 1 . 1 90 90 TYR HD1 H 1 6.765 0.008 . 1 . . 952 . A 90 TYR HD1 . 34407 1 1014 . 1 . 1 90 90 TYR HD2 H 1 6.765 0.008 . 1 . . 952 . A 90 TYR HD2 . 34407 1 1015 . 1 . 1 90 90 TYR HE1 H 1 6.276 0.005 . 1 . . 951 . A 90 TYR HE1 . 34407 1 1016 . 1 . 1 90 90 TYR HE2 H 1 6.276 0.005 . 1 . . 951 . A 90 TYR HE2 . 34407 1 1017 . 1 . 1 90 90 TYR C C 13 170.566 0.017 . 1 . . 468 . A 90 TYR C . 34407 1 1018 . 1 . 1 90 90 TYR CA C 13 56.092 0.091 . 1 . . 374 . A 90 TYR CA . 34407 1 1019 . 1 . 1 90 90 TYR CB C 13 39.350 0.095 . 1 . . 373 . A 90 TYR CB . 34407 1 1020 . 1 . 1 90 90 TYR CD1 C 13 134.432 . . 1 . . 953 . A 90 TYR CD1 . 34407 1 1021 . 1 . 1 90 90 TYR CD2 C 13 134.432 . . 1 . . 953 . A 90 TYR CD2 . 34407 1 1022 . 1 . 1 90 90 TYR CE1 C 13 117.743 . . 1 . . 954 . A 90 TYR CE1 . 34407 1 1023 . 1 . 1 90 90 TYR CE2 C 13 117.743 . . 1 . . 954 . A 90 TYR CE2 . 34407 1 1024 . 1 . 1 90 90 TYR N N 15 121.390 0.02 . 1 . . 60 . A 90 TYR N . 34407 1 1025 . 1 . 1 91 91 PHE H H 1 9.097 0.005 . 1 . . 35 . A 91 PHE H . 34407 1 1026 . 1 . 1 91 91 PHE HA H 1 5.322 0.005 . 1 . . 851 . A 91 PHE HA . 34407 1 1027 . 1 . 1 91 91 PHE HB2 H 1 3.205 0.015 . 2 . . 1015 . A 91 PHE HB2 . 34407 1 1028 . 1 . 1 91 91 PHE HB3 H 1 3.149 0.007 . 2 . . 1016 . A 91 PHE HB3 . 34407 1 1029 . 1 . 1 91 91 PHE HD1 H 1 6.986 0.005 . 1 . . 958 . A 91 PHE HD1 . 34407 1 1030 . 1 . 1 91 91 PHE HD2 H 1 6.986 0.005 . 1 . . 958 . A 91 PHE HD2 . 34407 1 1031 . 1 . 1 91 91 PHE HE1 H 1 7.129 0.014 . 1 . . 959 . A 91 PHE HE1 . 34407 1 1032 . 1 . 1 91 91 PHE HE2 H 1 7.129 0.014 . 1 . . 959 . A 91 PHE HE2 . 34407 1 1033 . 1 . 1 91 91 PHE C C 13 174.408 0.016 . 1 . . 467 . A 91 PHE C . 34407 1 1034 . 1 . 1 91 91 PHE CA C 13 56.473 0.039 . 1 . . 371 . A 91 PHE CA . 34407 1 1035 . 1 . 1 91 91 PHE CB C 13 42.295 0.04 . 1 . . 372 . A 91 PHE CB . 34407 1 1036 . 1 . 1 91 91 PHE CD1 C 13 132.549 . . 1 . . 957 . A 91 PHE CD1 . 34407 1 1037 . 1 . 1 91 91 PHE CD2 C 13 132.549 . . 1 . . 957 . A 91 PHE CD2 . 34407 1 1038 . 1 . 1 91 91 PHE CE1 C 13 130.878 . . 1 . . 960 . A 91 PHE CE1 . 34407 1 1039 . 1 . 1 91 91 PHE CE2 C 13 130.878 . . 1 . . 960 . A 91 PHE CE2 . 34407 1 1040 . 1 . 1 91 91 PHE N N 15 115.922 0.021 . 1 . . 36 . A 91 PHE N . 34407 1 1041 . 1 . 1 92 92 VAL H H 1 9.161 0.005 . 1 . . 27 . A 92 VAL H . 34407 1 1042 . 1 . 1 92 92 VAL HA H 1 4.368 0.011 . 1 . . 852 . A 92 VAL HA . 34407 1 1043 . 1 . 1 92 92 VAL HB H 1 1.620 0.004 . 1 . . 853 . A 92 VAL HB . 34407 1 1044 . 1 . 1 92 92 VAL HG11 H 1 0.735 0.005 . 2 . . 854 . A 92 VAL HG11 . 34407 1 1045 . 1 . 1 92 92 VAL HG12 H 1 0.735 0.005 . 2 . . 854 . A 92 VAL HG12 . 34407 1 1046 . 1 . 1 92 92 VAL HG13 H 1 0.735 0.005 . 2 . . 854 . A 92 VAL HG13 . 34407 1 1047 . 1 . 1 92 92 VAL HG21 H 1 0.243 0.015 . 2 . . 855 . A 92 VAL HG21 . 34407 1 1048 . 1 . 1 92 92 VAL HG22 H 1 0.243 0.015 . 2 . . 855 . A 92 VAL HG22 . 34407 1 1049 . 1 . 1 92 92 VAL HG23 H 1 0.243 0.015 . 2 . . 855 . A 92 VAL HG23 . 34407 1 1050 . 1 . 1 92 92 VAL C C 13 173.682 0.018 . 1 . . 466 . A 92 VAL C . 34407 1 1051 . 1 . 1 92 92 VAL CA C 13 60.652 0.066 . 1 . . 369 . A 92 VAL CA . 34407 1 1052 . 1 . 1 92 92 VAL CB C 13 34.634 0.054 . 1 . . 370 . A 92 VAL CB . 34407 1 1053 . 1 . 1 92 92 VAL CG1 C 13 21.230 0.056 . 2 . . 602 . A 92 VAL CG1 . 34407 1 1054 . 1 . 1 92 92 VAL CG2 C 13 19.732 0.054 . 2 . . 601 . A 92 VAL CG2 . 34407 1 1055 . 1 . 1 92 92 VAL N N 15 121.553 0.041 . 1 . . 28 . A 92 VAL N . 34407 1 1056 . 1 . 1 93 93 ASP H H 1 8.207 0.008 . 1 . . 139 . A 93 ASP H . 34407 1 1057 . 1 . 1 93 93 ASP HA H 1 3.663 0.013 . 1 . . 856 . A 93 ASP HA . 34407 1 1058 . 1 . 1 93 93 ASP HB2 H 1 1.960 0.015 . 2 . . 857 . A 93 ASP HB2 . 34407 1 1059 . 1 . 1 93 93 ASP HB3 H 1 0.057 0.007 . 2 . . 858 . A 93 ASP HB3 . 34407 1 1060 . 1 . 1 93 93 ASP C C 13 177.953 0.021 . 1 . . 465 . A 93 ASP C . 34407 1 1061 . 1 . 1 93 93 ASP CA C 13 51.165 0.069 . 1 . . 368 . A 93 ASP CA . 34407 1 1062 . 1 . 1 93 93 ASP CB C 13 39.274 0.089 . 1 . . 367 . A 93 ASP CB . 34407 1 1063 . 1 . 1 93 93 ASP N N 15 124.565 0.038 . 1 . . 140 . A 93 ASP N . 34407 1 1064 . 1 . 1 94 94 HIS H H 1 8.834 0.004 . 1 . . 49 . A 94 HIS H . 34407 1 1065 . 1 . 1 94 94 HIS HA H 1 4.214 0.011 . 1 . . 859 . A 94 HIS HA . 34407 1 1066 . 1 . 1 94 94 HIS HB2 H 1 3.309 0.022 . 2 . . 860 . A 94 HIS HB2 . 34407 1 1067 . 1 . 1 94 94 HIS HB3 H 1 3.041 0.022 . 2 . . 861 . A 94 HIS HB3 . 34407 1 1068 . 1 . 1 94 94 HIS HD2 H 1 6.907 0.005 . 1 . . 961 . A 94 HIS HD2 . 34407 1 1069 . 1 . 1 94 94 HIS C C 13 177.126 0.017 . 1 . . 464 . A 94 HIS C . 34407 1 1070 . 1 . 1 94 94 HIS CA C 13 58.756 0.082 . 1 . . 366 . A 94 HIS CA . 34407 1 1071 . 1 . 1 94 94 HIS CB C 13 30.015 0.086 . 1 . . 365 . A 94 HIS CB . 34407 1 1072 . 1 . 1 94 94 HIS CD2 C 13 119.258 . . 1 . . 965 . A 94 HIS CD2 . 34407 1 1073 . 1 . 1 94 94 HIS N N 15 123.522 0.022 . 1 . . 50 . A 94 HIS N . 34407 1 1074 . 1 . 1 95 95 ASN H H 1 8.339 0.005 . 1 . . 117 . A 95 ASN H . 34407 1 1075 . 1 . 1 95 95 ASN HA H 1 4.448 0.013 . 1 . . 862 . A 95 ASN HA . 34407 1 1076 . 1 . 1 95 95 ASN HB2 H 1 3.278 0.004 . 2 . . 863 . A 95 ASN HB2 . 34407 1 1077 . 1 . 1 95 95 ASN HB3 H 1 2.712 0.007 . 2 . . 864 . A 95 ASN HB3 . 34407 1 1078 . 1 . 1 95 95 ASN HD21 H 1 8.055 0.003 . 1 . . 157 . A 95 ASN HD21 . 34407 1 1079 . 1 . 1 95 95 ASN HD22 H 1 7.717 0.007 . 1 . . 187 . A 95 ASN HD22 . 34407 1 1080 . 1 . 1 95 95 ASN C C 13 176.866 0.011 . 1 . . 463 . A 95 ASN C . 34407 1 1081 . 1 . 1 95 95 ASN CA C 13 56.177 0.127 . 1 . . 363 . A 95 ASN CA . 34407 1 1082 . 1 . 1 95 95 ASN CB C 13 38.589 0.073 . 1 . . 364 . A 95 ASN CB . 34407 1 1083 . 1 . 1 95 95 ASN N N 15 115.522 0.035 . 1 . . 118 . A 95 ASN N . 34407 1 1084 . 1 . 1 95 95 ASN ND2 N 15 117.836 0.247 . 1 . . 188 . A 95 ASN ND2 . 34407 1 1085 . 1 . 1 96 96 THR H H 1 6.623 0.006 . 1 . . 228 . A 96 THR H . 34407 1 1086 . 1 . 1 96 96 THR HA H 1 4.323 0.012 . 1 . . 866 . A 96 THR HA . 34407 1 1087 . 1 . 1 96 96 THR HB H 1 4.314 0.013 . 1 . . 865 . A 96 THR HB . 34407 1 1088 . 1 . 1 96 96 THR HG21 H 1 1.154 0.005 . 1 . . 867 . A 96 THR HG21 . 34407 1 1089 . 1 . 1 96 96 THR HG22 H 1 1.154 0.005 . 1 . . 867 . A 96 THR HG22 . 34407 1 1090 . 1 . 1 96 96 THR HG23 H 1 1.154 0.005 . 1 . . 867 . A 96 THR HG23 . 34407 1 1091 . 1 . 1 96 96 THR C C 13 174.310 0.003 . 1 . . 462 . A 96 THR C . 34407 1 1092 . 1 . 1 96 96 THR CA C 13 61.086 0.066 . 1 . . 362 . A 96 THR CA . 34407 1 1093 . 1 . 1 96 96 THR CB C 13 70.794 0.048 . 1 . . 361 . A 96 THR CB . 34407 1 1094 . 1 . 1 96 96 THR CG2 C 13 21.237 0.067 . 1 . . 603 . A 96 THR CG2 . 34407 1 1095 . 1 . 1 96 96 THR N N 15 103.907 0.042 . 1 . . 229 . A 96 THR N . 34407 1 1096 . 1 . 1 97 97 ARG H H 1 8.037 0.005 . 1 . . 357 . A 97 ARG H . 34407 1 1097 . 1 . 1 97 97 ARG HA H 1 3.766 0.009 . 1 . . 868 . A 97 ARG HA . 34407 1 1098 . 1 . 1 97 97 ARG HB2 H 1 2.088 0.007 . 2 . . 871 . A 97 ARG HB2 . 34407 1 1099 . 1 . 1 97 97 ARG HB3 H 1 1.889 0.01 . 2 . . 872 . A 97 ARG HB3 . 34407 1 1100 . 1 . 1 97 97 ARG HG2 H 1 1.532 0.014 . 2 . . 873 . A 97 ARG HG2 . 34407 1 1101 . 1 . 1 97 97 ARG HG3 H 1 1.550 0.008 . 2 . . 874 . A 97 ARG HG3 . 34407 1 1102 . 1 . 1 97 97 ARG HD2 H 1 3.173 0.011 . 2 . . 869 . A 97 ARG HD2 . 34407 1 1103 . 1 . 1 97 97 ARG HD3 H 1 3.199 0.006 . 2 . . 870 . A 97 ARG HD3 . 34407 1 1104 . 1 . 1 97 97 ARG C C 13 175.669 0.007 . 1 . . 461 . A 97 ARG C . 34407 1 1105 . 1 . 1 97 97 ARG CA C 13 57.376 0.067 . 1 . . 359 . A 97 ARG CA . 34407 1 1106 . 1 . 1 97 97 ARG CB C 13 26.469 0.081 . 1 . . 360 . A 97 ARG CB . 34407 1 1107 . 1 . 1 97 97 ARG CG C 13 27.544 0.081 . 1 . . 932 . A 97 ARG CG . 34407 1 1108 . 1 . 1 97 97 ARG CD C 13 43.632 0.041 . 1 . . 982 . A 97 ARG CD . 34407 1 1109 . 1 . 1 97 97 ARG N N 15 119.753 0.046 . 1 . . 358 . A 97 ARG N . 34407 1 1110 . 1 . 1 98 98 THR H H 1 7.431 0.005 . 1 . . 201 . A 98 THR H . 34407 1 1111 . 1 . 1 98 98 THR HA H 1 4.631 0.004 . 1 . . 876 . A 98 THR HA . 34407 1 1112 . 1 . 1 98 98 THR HB H 1 3.981 0.007 . 1 . . 875 . A 98 THR HB . 34407 1 1113 . 1 . 1 98 98 THR HG21 H 1 1.140 0.006 . 1 . . 877 . A 98 THR HG21 . 34407 1 1114 . 1 . 1 98 98 THR HG22 H 1 1.140 0.006 . 1 . . 877 . A 98 THR HG22 . 34407 1 1115 . 1 . 1 98 98 THR HG23 H 1 1.140 0.006 . 1 . . 877 . A 98 THR HG23 . 34407 1 1116 . 1 . 1 98 98 THR C C 13 173.282 0.023 . 1 . . 460 . A 98 THR C . 34407 1 1117 . 1 . 1 98 98 THR CA C 13 60.940 0.06 . 1 . . 402 . A 98 THR CA . 34407 1 1118 . 1 . 1 98 98 THR CB C 13 72.131 0.032 . 1 . . 403 . A 98 THR CB . 34407 1 1119 . 1 . 1 98 98 THR CG2 C 13 21.489 0.058 . 1 . . 933 . A 98 THR CG2 . 34407 1 1120 . 1 . 1 98 98 THR N N 15 110.774 0.044 . 1 . . 202 . A 98 THR N . 34407 1 1121 . 1 . 1 99 99 THR H H 1 8.326 0.008 . 1 . . 400 . A 99 THR H . 34407 1 1122 . 1 . 1 99 99 THR HA H 1 5.303 0.006 . 1 . . 878 . A 99 THR HA . 34407 1 1123 . 1 . 1 99 99 THR HB H 1 3.935 0.009 . 1 . . 879 . A 99 THR HB . 34407 1 1124 . 1 . 1 99 99 THR HG21 H 1 1.066 0.007 . 1 . . 880 . A 99 THR HG21 . 34407 1 1125 . 1 . 1 99 99 THR HG22 H 1 1.066 0.007 . 1 . . 880 . A 99 THR HG22 . 34407 1 1126 . 1 . 1 99 99 THR HG23 H 1 1.066 0.007 . 1 . . 880 . A 99 THR HG23 . 34407 1 1127 . 1 . 1 99 99 THR C C 13 173.574 . . 1 . . 459 . A 99 THR C . 34407 1 1128 . 1 . 1 99 99 THR CA C 13 60.580 0.04 . 1 . . 404 . A 99 THR CA . 34407 1 1129 . 1 . 1 99 99 THR CB C 13 71.387 0.023 . 1 . . 405 . A 99 THR CB . 34407 1 1130 . 1 . 1 99 99 THR CG2 C 13 22.008 0.016 . 1 . . 934 . A 99 THR CG2 . 34407 1 1131 . 1 . 1 99 99 THR N N 15 115.499 0.042 . 1 . . 401 . A 99 THR N . 34407 1 1132 . 1 . 1 100 100 THR H H 1 9.269 0.004 . 1 . . 15 . A 100 THR H . 34407 1 1133 . 1 . 1 100 100 THR HA H 1 4.899 0.009 . 1 . . 881 . A 100 THR HA . 34407 1 1134 . 1 . 1 100 100 THR HB H 1 4.390 0.004 . 1 . . 882 . A 100 THR HB . 34407 1 1135 . 1 . 1 100 100 THR HG21 H 1 1.540 0.007 . 1 . . 883 . A 100 THR HG21 . 34407 1 1136 . 1 . 1 100 100 THR HG22 H 1 1.540 0.007 . 1 . . 883 . A 100 THR HG22 . 34407 1 1137 . 1 . 1 100 100 THR HG23 H 1 1.540 0.007 . 1 . . 883 . A 100 THR HG23 . 34407 1 1138 . 1 . 1 100 100 THR C C 13 171.957 0.021 . 1 . . 458 . A 100 THR C . 34407 1 1139 . 1 . 1 100 100 THR CA C 13 59.621 0.106 . 1 . . 355 . A 100 THR CA . 34407 1 1140 . 1 . 1 100 100 THR CB C 13 69.614 0.042 . 1 . . 356 . A 100 THR CB . 34407 1 1141 . 1 . 1 100 100 THR CG2 C 13 19.992 0.036 . 1 . . 935 . A 100 THR CG2 . 34407 1 1142 . 1 . 1 100 100 THR N N 15 118.021 0.021 . 1 . . 16 . A 100 THR N . 34407 1 1143 . 1 . 1 101 101 PHE H H 1 8.919 0.007 . 1 . . 45 . A 101 PHE H . 34407 1 1144 . 1 . 1 101 101 PHE HA H 1 4.938 0.007 . 1 . . 884 . A 101 PHE HA . 34407 1 1145 . 1 . 1 101 101 PHE HB2 H 1 2.979 0.004 . 2 . . 885 . A 101 PHE HB2 . 34407 1 1146 . 1 . 1 101 101 PHE HB3 H 1 3.582 0.009 . 2 . . 886 . A 101 PHE HB3 . 34407 1 1147 . 1 . 1 101 101 PHE HD1 H 1 7.580 0.003 . 1 . . 1089 . A 101 PHE HD1 . 34407 1 1148 . 1 . 1 101 101 PHE HD2 H 1 7.580 0.003 . 1 . . 1089 . A 101 PHE HD2 . 34407 1 1149 . 1 . 1 101 101 PHE HE1 H 1 7.106 0.007 . 1 . . 1104 . A 101 PHE HE1 . 34407 1 1150 . 1 . 1 101 101 PHE HE2 H 1 7.106 0.007 . 1 . . 1104 . A 101 PHE HE2 . 34407 1 1151 . 1 . 1 101 101 PHE C C 13 175.573 0.005 . 1 . . 457 . A 101 PHE C . 34407 1 1152 . 1 . 1 101 101 PHE CA C 13 59.491 0.086 . 1 . . 354 . A 101 PHE CA . 34407 1 1153 . 1 . 1 101 101 PHE CB C 13 39.437 0.056 . 1 . . 353 . A 101 PHE CB . 34407 1 1154 . 1 . 1 101 101 PHE CD1 C 13 132.543 . . 1 . . 1090 . A 101 PHE CD1 . 34407 1 1155 . 1 . 1 101 101 PHE CD2 C 13 132.543 . . 1 . . 1090 . A 101 PHE CD2 . 34407 1 1156 . 1 . 1 101 101 PHE CE1 C 13 131.655 . . 1 . . 1105 . A 101 PHE CE1 . 34407 1 1157 . 1 . 1 101 101 PHE CE2 C 13 131.655 . . 1 . . 1105 . A 101 PHE CE2 . 34407 1 1158 . 1 . 1 101 101 PHE N N 15 123.929 0.029 . 1 . . 46 . A 101 PHE N . 34407 1 1159 . 1 . 1 102 102 LYS H H 1 8.657 0.005 . 1 . . 65 . A 102 LYS H . 34407 1 1160 . 1 . 1 102 102 LYS HA H 1 4.374 0.006 . 1 . . 887 . A 102 LYS HA . 34407 1 1161 . 1 . 1 102 102 LYS HB2 H 1 1.797 0.007 . 2 . . 890 . A 102 LYS HB2 . 34407 1 1162 . 1 . 1 102 102 LYS HB3 H 1 1.705 0.009 . 2 . . 891 . A 102 LYS HB3 . 34407 1 1163 . 1 . 1 102 102 LYS HG2 H 1 1.298 0.004 . 2 . . 892 . A 102 LYS HG2 . 34407 1 1164 . 1 . 1 102 102 LYS HG3 H 1 1.380 0.016 . 2 . . 893 . A 102 LYS HG3 . 34407 1 1165 . 1 . 1 102 102 LYS HE2 H 1 3.027 0.007 . 2 . . 888 . A 102 LYS HE2 . 34407 1 1166 . 1 . 1 102 102 LYS HE3 H 1 2.566 . . 2 . . 889 . A 102 LYS HE3 . 34407 1 1167 . 1 . 1 102 102 LYS C C 13 174.276 0.005 . 1 . . 456 . A 102 LYS C . 34407 1 1168 . 1 . 1 102 102 LYS CA C 13 55.759 0.029 . 1 . . 352 . A 102 LYS CA . 34407 1 1169 . 1 . 1 102 102 LYS CB C 13 32.914 0.083 . 1 . . 351 . A 102 LYS CB . 34407 1 1170 . 1 . 1 102 102 LYS CG C 13 24.612 0.059 . 1 . . 604 . A 102 LYS CG . 34407 1 1171 . 1 . 1 102 102 LYS CE C 13 42.352 0.012 . 1 . . 1071 . A 102 LYS CE . 34407 1 1172 . 1 . 1 102 102 LYS N N 15 124.355 0.022 . 1 . . 66 . A 102 LYS N . 34407 1 1173 . 1 . 1 103 103 ASP H H 1 8.245 0.005 . 1 . . 135 . A 103 ASP H . 34407 1 1174 . 1 . 1 103 103 ASP HA H 1 2.858 0.006 . 1 . . 1145 . A 103 ASP HA . 34407 1 1175 . 1 . 1 103 103 ASP HB2 H 1 2.255 0.005 . 2 . . 1128 . A 103 ASP HB2 . 34407 1 1176 . 1 . 1 103 103 ASP HB3 H 1 2.605 0.006 . 2 . . 1129 . A 103 ASP HB3 . 34407 1 1177 . 1 . 1 103 103 ASP C C 13 175.305 . . 1 . . 455 . A 103 ASP C . 34407 1 1178 . 1 . 1 103 103 ASP CA C 13 50.944 0.062 . 1 . . 423 . A 103 ASP CA . 34407 1 1179 . 1 . 1 103 103 ASP CB C 13 42.379 0.079 . 1 . . 424 . A 103 ASP CB . 34407 1 1180 . 1 . 1 103 103 ASP N N 15 129.140 0.042 . 1 . . 136 . A 103 ASP N . 34407 1 1181 . 1 . 1 104 104 PRO HA H 1 4.000 0.007 . 1 . . 894 . A 104 PRO HA . 34407 1 1182 . 1 . 1 104 104 PRO HB2 H 1 0.776 0.013 . 2 . . 895 . A 104 PRO HB2 . 34407 1 1183 . 1 . 1 104 104 PRO HB3 H 1 0.560 0.018 . 2 . . 896 . A 104 PRO HB3 . 34407 1 1184 . 1 . 1 104 104 PRO HG2 H 1 0.212 0.003 . 2 . . 1133 . A 104 PRO HG2 . 34407 1 1185 . 1 . 1 104 104 PRO HG3 H 1 0.214 0.003 . 2 . . 1134 . A 104 PRO HG3 . 34407 1 1186 . 1 . 1 104 104 PRO HD2 H 1 2.352 0.014 . 2 . . 983 . A 104 PRO HD2 . 34407 1 1187 . 1 . 1 104 104 PRO HD3 H 1 2.570 0.004 . 2 . . 985 . A 104 PRO HD3 . 34407 1 1188 . 1 . 1 104 104 PRO C C 13 177.200 . . 1 . . 454 . A 104 PRO C . 34407 1 1189 . 1 . 1 104 104 PRO CA C 13 62.437 0.072 . 1 . . 428 . A 104 PRO CA . 34407 1 1190 . 1 . 1 104 104 PRO CB C 13 31.085 0.055 . 1 . . 426 . A 104 PRO CB . 34407 1 1191 . 1 . 1 104 104 PRO CG C 13 26.004 0.023 . 1 . . 936 . A 104 PRO CG . 34407 1 1192 . 1 . 1 104 104 PRO CD C 13 49.196 0.03 . 1 . . 984 . A 104 PRO CD . 34407 1 1193 . 1 . 1 105 105 ARG H H 1 8.433 0.004 . 1 . . 95 . A 105 ARG H . 34407 1 1194 . 1 . 1 105 105 ARG HA H 1 4.090 0.02 . 1 . . 1106 . A 105 ARG HA . 34407 1 1195 . 1 . 1 105 105 ARG HB2 H 1 1.677 0.011 . 2 . . 1131 . A 105 ARG HB2 . 34407 1 1196 . 1 . 1 105 105 ARG HB3 H 1 1.678 0.011 . 2 . . 1132 . A 105 ARG HB3 . 34407 1 1197 . 1 . 1 105 105 ARG HG2 H 1 1.143 0.005 . 2 . . 1155 . A 105 ARG HG2 . 34407 1 1198 . 1 . 1 105 105 ARG HG3 H 1 1.144 0.005 . 2 . . 1156 . A 105 ARG HG3 . 34407 1 1199 . 1 . 1 105 105 ARG HD2 H 1 2.798 0.007 . 2 . . 1157 . A 105 ARG HD2 . 34407 1 1200 . 1 . 1 105 105 ARG HD3 H 1 2.474 0.007 . 2 . . 1158 . A 105 ARG HD3 . 34407 1 1201 . 1 . 1 105 105 ARG C C 13 174.166 . . 1 . . 453 . A 105 ARG C . 34407 1 1202 . 1 . 1 105 105 ARG CA C 13 54.891 0.103 . 1 . . 427 . A 105 ARG CA . 34407 1 1203 . 1 . 1 105 105 ARG CB C 13 29.637 0.038 . 1 . . 1149 . A 105 ARG CB . 34407 1 1204 . 1 . 1 105 105 ARG CG C 13 26.454 0.108 . 1 . . 1160 . A 105 ARG CG . 34407 1 1205 . 1 . 1 105 105 ARG CD C 13 43.425 0.065 . 1 . . 1154 . A 105 ARG CD . 34407 1 1206 . 1 . 1 105 105 ARG N N 15 124.134 0.022 . 1 . . 96 . A 105 ARG N . 34407 1 1207 . 1 . 1 106 106 PRO HA H 1 4.333 0.01 . 1 . . 897 . A 106 PRO HA . 34407 1 1208 . 1 . 1 106 106 PRO HB2 H 1 2.239 0.004 . 2 . . 900 . A 106 PRO HB2 . 34407 1 1209 . 1 . 1 106 106 PRO HB3 H 1 1.883 0.005 . 2 . . 901 . A 106 PRO HB3 . 34407 1 1210 . 1 . 1 106 106 PRO HG2 H 1 1.972 0.002 . 2 . . 898 . A 106 PRO HG2 . 34407 1 1211 . 1 . 1 106 106 PRO HG3 H 1 2.042 0.013 . 2 . . 899 . A 106 PRO HG3 . 34407 1 1212 . 1 . 1 106 106 PRO HD2 H 1 3.820 0.005 . 2 . . 987 . A 106 PRO HD2 . 34407 1 1213 . 1 . 1 106 106 PRO HD3 H 1 3.578 0.004 . 2 . . 988 . A 106 PRO HD3 . 34407 1 1214 . 1 . 1 106 106 PRO C C 13 177.653 0.002 . 1 . . 452 . A 106 PRO C . 34407 1 1215 . 1 . 1 106 106 PRO CA C 13 63.546 0.04 . 1 . . 425 . A 106 PRO CA . 34407 1 1216 . 1 . 1 106 106 PRO CB C 13 31.648 0.073 . 1 . . 1130 . A 106 PRO CB . 34407 1 1217 . 1 . 1 106 106 PRO CG C 13 27.601 0.021 . 1 . . 605 . A 106 PRO CG . 34407 1 1218 . 1 . 1 106 106 PRO CD C 13 50.527 0.026 . 1 . . 986 . A 106 PRO CD . 34407 1 1219 . 1 . 1 107 107 GLY H H 1 8.600 0.007 . 1 . . 71 . A 107 GLY H . 34407 1 1220 . 1 . 1 107 107 GLY HA2 H 1 3.970 0.017 . 2 . . 902 . A 107 GLY HA2 . 34407 1 1221 . 1 . 1 107 107 GLY HA3 H 1 3.728 0.01 . 2 . . 903 . A 107 GLY HA3 . 34407 1 1222 . 1 . 1 107 107 GLY C C 13 174.249 0.008 . 1 . . 451 . A 107 GLY C . 34407 1 1223 . 1 . 1 107 107 GLY CA C 13 45.311 0.046 . 1 . . 350 . A 107 GLY CA . 34407 1 1224 . 1 . 1 107 107 GLY N N 15 109.913 0.045 . 1 . . 72 . A 107 GLY N . 34407 1 1225 . 1 . 1 108 108 PHE H H 1 7.846 0.002 . 1 . . 175 . A 108 PHE H . 34407 1 1226 . 1 . 1 108 108 PHE HA H 1 4.543 0.005 . 1 . . 904 . A 108 PHE HA . 34407 1 1227 . 1 . 1 108 108 PHE HB2 H 1 2.885 0.011 . 2 . . 905 . A 108 PHE HB2 . 34407 1 1228 . 1 . 1 108 108 PHE HB3 H 1 3.093 0.004 . 2 . . 906 . A 108 PHE HB3 . 34407 1 1229 . 1 . 1 108 108 PHE HD1 H 1 7.158 0.008 . 1 . . 1091 . A 108 PHE HD1 . 34407 1 1230 . 1 . 1 108 108 PHE HD2 H 1 7.158 0.008 . 1 . . 1091 . A 108 PHE HD2 . 34407 1 1231 . 1 . 1 108 108 PHE HE1 H 1 7.233 0.002 . 1 . . 962 . A 108 PHE HE1 . 34407 1 1232 . 1 . 1 108 108 PHE HE2 H 1 7.233 0.002 . 1 . . 962 . A 108 PHE HE2 . 34407 1 1233 . 1 . 1 108 108 PHE C C 13 174.812 0.009 . 1 . . 450 . A 108 PHE C . 34407 1 1234 . 1 . 1 108 108 PHE CA C 13 58.011 0.037 . 1 . . 348 . A 108 PHE CA . 34407 1 1235 . 1 . 1 108 108 PHE CB C 13 39.644 0.07 . 1 . . 349 . A 108 PHE CB . 34407 1 1236 . 1 . 1 108 108 PHE CD1 C 13 132.538 . . 1 . . 1103 . A 108 PHE CD1 . 34407 1 1237 . 1 . 1 108 108 PHE CD2 C 13 132.538 . . 1 . . 1103 . A 108 PHE CD2 . 34407 1 1238 . 1 . 1 108 108 PHE N N 15 120.672 0.018 . 1 . . 176 . A 108 PHE N . 34407 1 1239 . 1 . 1 109 109 GLU H H 1 8.050 0.005 . 1 . . 158 . A 109 GLU H . 34407 1 1240 . 1 . 1 109 109 GLU HA H 1 4.143 0.005 . 1 . . 1072 . A 109 GLU HA . 34407 1 1241 . 1 . 1 109 109 GLU HB2 H 1 1.902 0.009 . 2 . . 1076 . A 109 GLU HB2 . 34407 1 1242 . 1 . 1 109 109 GLU HB3 H 1 2.034 0.011 . 2 . . 1077 . A 109 GLU HB3 . 34407 1 1243 . 1 . 1 109 109 GLU HG2 H 1 2.215 0.003 . 2 . . 1074 . A 109 GLU HG2 . 34407 1 1244 . 1 . 1 109 109 GLU HG3 H 1 2.215 0.003 . 2 . . 1075 . A 109 GLU HG3 . 34407 1 1245 . 1 . 1 109 109 GLU C C 13 181.145 . . 1 . . 449 . A 109 GLU C . 34407 1 1246 . 1 . 1 109 109 GLU CA C 13 58.411 0.081 . 1 . . 408 . A 109 GLU CA . 34407 1 1247 . 1 . 1 109 109 GLU CB C 13 31.127 0.061 . 1 . . 409 . A 109 GLU CB . 34407 1 1248 . 1 . 1 109 109 GLU CG C 13 36.574 0.037 . 1 . . 1073 . A 109 GLU CG . 34407 1 1249 . 1 . 1 109 109 GLU N N 15 126.376 0.025 . 1 . . 159 . A 109 GLU N . 34407 1 stop_ save_