################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 . 1 $sample_1 isotropic 7165 1 1 . 2 $sample_2 isotropic 7165 1 1 . 3 $sample_3 isotropic 7165 1 2 . 2 $sample_2 isotropic 7165 1 3 . 2 $sample_2 isotropic 7165 1 4 . 2 $sample_2 isotropic 7165 1 5 . 2 $sample_2 isotropic 7165 1 6 . 2 $sample_2 isotropic 7165 1 7 . 2 $sample_2 isotropic 7165 1 8 . 2 $sample_2 isotropic 7165 1 9 . 2 $sample_2 isotropic 7165 1 10 . 2 $sample_2 isotropic 7165 1 11 . 2 $sample_2 isotropic 7165 1 12 . 3 $sample_3 isotropic 7165 1 13 . 3 $sample_3 isotropic 7165 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.476 0.001 . 1 . . . . 1 M HA . 7165 1 2 . 1 1 1 1 MET HB2 H 1 2.137 0.004 . 1 . . . . 1 M HB2 . 7165 1 3 . 1 1 1 1 MET HB3 H 1 2.067 0.004 . 1 . . . . 1 M HB3 . 7165 1 4 . 1 1 1 1 MET HG2 H 1 2.424 0.009 . 1 . . . . 1 M HG2 . 7165 1 5 . 1 1 1 1 MET HG3 H 1 2.424 0.009 . 1 . . . . 1 M HG3 . 7165 1 6 . 1 1 1 1 MET HE1 H 1 1.378 0.010 . 1 . . . . 1 M HE . 7165 1 7 . 1 1 1 1 MET HE2 H 1 1.378 0.010 . 1 . . . . 1 M HE . 7165 1 8 . 1 1 1 1 MET HE3 H 1 1.378 0.010 . 1 . . . . 1 M HE . 7165 1 9 . 1 1 1 1 MET C C 13 172.579 0.028 . 1 . . . . 1 M CO . 7165 1 10 . 1 1 1 1 MET CA C 13 55.181 0.005 . 1 . . . . 1 M CA . 7165 1 11 . 1 1 1 1 MET CB C 13 32.898 0.052 . 1 . . . . 1 M CB . 7165 1 12 . 1 1 1 1 MET CG C 13 30.456 0.087 . 1 . . . . 1 M CG . 7165 1 13 . 1 1 1 1 MET CE C 13 19.753 0.100 . 1 . . . . 1 M CE . 7165 1 14 . 1 1 2 2 VAL H H 1 8.366 0.007 . 1 . . . . 2 V HN . 7165 1 15 . 1 1 2 2 VAL HA H 1 4.604 0.007 . 1 . . . . 2 V HA . 7165 1 16 . 1 1 2 2 VAL HB H 1 1.860 0.008 . 1 . . . . 2 V HB . 7165 1 17 . 1 1 2 2 VAL HG11 H 1 0.836 0.002 . 1 . . . . 2 V HG1# . 7165 1 18 . 1 1 2 2 VAL HG12 H 1 0.836 0.002 . 1 . . . . 2 V HG1# . 7165 1 19 . 1 1 2 2 VAL HG13 H 1 0.836 0.002 . 1 . . . . 2 V HG1# . 7165 1 20 . 1 1 2 2 VAL HG21 H 1 0.794 0.001 . 1 . . . . 2 V HG2# . 7165 1 21 . 1 1 2 2 VAL HG22 H 1 0.794 0.001 . 1 . . . . 2 V HG2# . 7165 1 22 . 1 1 2 2 VAL HG23 H 1 0.794 0.001 . 1 . . . . 2 V HG2# . 7165 1 23 . 1 1 2 2 VAL C C 13 172.539 0.007 . 1 . . . . 2 V CO . 7165 1 24 . 1 1 2 2 VAL CA C 13 61.055 0.095 . 1 . . . . 2 V CA . 7165 1 25 . 1 1 2 2 VAL CB C 13 35.672 0.068 . 1 . . . . 2 V CB . 7165 1 26 . 1 1 2 2 VAL CG1 C 13 20.535 0.100 . 1 . . . . 2 V CG1 . 7165 1 27 . 1 1 2 2 VAL CG2 C 13 20.535 0.100 . 1 . . . . 2 V CG2 . 7165 1 28 . 1 1 2 2 VAL N N 15 120.545 0.050 . 1 . . . . 2 V N . 7165 1 29 . 1 1 3 3 ASN H H 1 8.815 0.005 . 1 . . . . 3 N HN . 7165 1 30 . 1 1 3 3 ASN HA H 1 5.457 0.006 . 1 . . . . 3 N HA . 7165 1 31 . 1 1 3 3 ASN HB2 H 1 2.810 0.005 . 1 . . . . 3 N HB2 . 7165 1 32 . 1 1 3 3 ASN HB3 H 1 2.442 0.006 . 1 . . . . 3 N HB3 . 7165 1 33 . 1 1 3 3 ASN HD21 H 1 7.915 0.007 . 1 . . . . 3 N HN21 . 7165 1 34 . 1 1 3 3 ASN HD22 H 1 6.533 0.008 . 1 . . . . 3 N HN22 . 7165 1 35 . 1 1 3 3 ASN C C 13 174.303 0.010 . 1 . . . . 3 N CO . 7165 1 36 . 1 1 3 3 ASN CA C 13 52.564 0.091 . 1 . . . . 3 N CA . 7165 1 37 . 1 1 3 3 ASN CB C 13 40.267 0.187 . 1 . . . . 3 N CB . 7165 1 38 . 1 1 3 3 ASN N N 15 124.862 0.064 . 1 . . . . 3 N N . 7165 1 39 . 1 1 3 3 ASN ND2 N 15 114.261 0.055 . 1 . . . . 3 N ND2 . 7165 1 40 . 1 1 4 4 VAL H H 1 8.883 0.006 . 1 . . . . 4 V HN . 7165 1 41 . 1 1 4 4 VAL HA H 1 4.901 0.013 . 1 . . . . 4 V HA . 7165 1 42 . 1 1 4 4 VAL HB H 1 2.138 0.003 . 1 . . . . 4 V HB . 7165 1 43 . 1 1 4 4 VAL HG11 H 1 0.904 0.003 . 1 . . . . 4 V HG1# . 7165 1 44 . 1 1 4 4 VAL HG12 H 1 0.904 0.003 . 1 . . . . 4 V HG1# . 7165 1 45 . 1 1 4 4 VAL HG13 H 1 0.904 0.003 . 1 . . . . 4 V HG1# . 7165 1 46 . 1 1 4 4 VAL HG21 H 1 0.661 0.002 . 1 . . . . 4 V HG2# . 7165 1 47 . 1 1 4 4 VAL HG22 H 1 0.661 0.002 . 1 . . . . 4 V HG2# . 7165 1 48 . 1 1 4 4 VAL HG23 H 1 0.661 0.002 . 1 . . . . 4 V HG2# . 7165 1 49 . 1 1 4 4 VAL C C 13 174.225 0.040 . 1 . . . . 4 V CO . 7165 1 50 . 1 1 4 4 VAL CA C 13 59.004 0.144 . 1 . . . . 4 V CA . 7165 1 51 . 1 1 4 4 VAL CB C 13 35.432 0.117 . 1 . . . . 4 V CB . 7165 1 52 . 1 1 4 4 VAL CG1 C 13 23.253 0.100 . 1 . . . . 4 V CG1 . 7165 1 53 . 1 1 4 4 VAL CG2 C 13 23.253 0.100 . 1 . . . . 4 V CG2 . 7165 1 54 . 1 1 4 4 VAL N N 15 116.487 0.047 . 1 . . . . 4 V N . 7165 1 55 . 1 1 5 5 LYS H H 1 8.536 0.008 . 1 . . . . 5 K HN . 7165 1 56 . 1 1 5 5 LYS HA H 1 5.128 0.008 . 1 . . . . 5 K HA . 7165 1 57 . 1 1 5 5 LYS HB2 H 1 1.614 0.011 . 1 . . . . 5 K HB2 . 7165 1 58 . 1 1 5 5 LYS HB3 H 1 1.614 0.011 . 1 . . . . 5 K HB3 . 7165 1 59 . 1 1 5 5 LYS HG2 H 1 1.316 0.001 . 1 . . . . 5 K HG2 . 7165 1 60 . 1 1 5 5 LYS HG3 H 1 1.121 0.010 . 1 . . . . 5 K HG3 . 7165 1 61 . 1 1 5 5 LYS HD2 H 1 1.539 0.010 . 1 . . . . 5 K HD2 . 7165 1 62 . 1 1 5 5 LYS HD3 H 1 1.539 0.010 . 1 . . . . 5 K HD3 . 7165 1 63 . 1 1 5 5 LYS HE2 H 1 2.752 0.010 . 1 . . . . 5 K HE2 . 7165 1 64 . 1 1 5 5 LYS HE3 H 1 2.752 0.010 . 1 . . . . 5 K HE3 . 7165 1 65 . 1 1 5 5 LYS C C 13 174.059 0.058 . 1 . . . . 5 K CO . 7165 1 66 . 1 1 5 5 LYS CA C 13 55.078 0.038 . 1 . . . . 5 K CA . 7165 1 67 . 1 1 5 5 LYS CB C 13 35.387 0.070 . 1 . . . . 5 K CB . 7165 1 68 . 1 1 5 5 LYS CG C 13 25.997 0.100 . 1 . . . . 5 K CG . 7165 1 69 . 1 1 5 5 LYS CD C 13 29.927 0.100 . 1 . . . . 5 K CD . 7165 1 70 . 1 1 5 5 LYS CE C 13 41.964 0.100 . 1 . . . . 5 K CE . 7165 1 71 . 1 1 5 5 LYS N N 15 124.235 0.069 . 1 . . . . 5 K N . 7165 1 72 . 1 1 6 6 VAL H H 1 8.869 0.005 . 1 . . . . 6 V HN . 7165 1 73 . 1 1 6 6 VAL HA H 1 5.348 0.009 . 1 . . . . 6 V HA . 7165 1 74 . 1 1 6 6 VAL HB H 1 1.466 0.003 . 1 . . . . 6 V HB . 7165 1 75 . 1 1 6 6 VAL HG11 H 1 0.748 0.004 . 1 . . . . 6 V HG1# . 7165 1 76 . 1 1 6 6 VAL HG12 H 1 0.748 0.004 . 1 . . . . 6 V HG1# . 7165 1 77 . 1 1 6 6 VAL HG13 H 1 0.748 0.004 . 1 . . . . 6 V HG1# . 7165 1 78 . 1 1 6 6 VAL HG21 H 1 0.332 0.004 . 1 . . . . 6 V HG2# . 7165 1 79 . 1 1 6 6 VAL HG22 H 1 0.332 0.004 . 1 . . . . 6 V HG2# . 7165 1 80 . 1 1 6 6 VAL HG23 H 1 0.332 0.004 . 1 . . . . 6 V HG2# . 7165 1 81 . 1 1 6 6 VAL C C 13 174.121 0.100 . 1 . . . . 6 V CO . 7165 1 82 . 1 1 6 6 VAL CA C 13 58.916 0.037 . 1 . . . . 6 V CA . 7165 1 83 . 1 1 6 6 VAL CB C 13 34.575 0.100 . 1 . . . . 6 V CB . 7165 1 84 . 1 1 6 6 VAL CG1 C 13 23.207 0.100 . 1 . . . . 6 V CG1 . 7165 1 85 . 1 1 6 6 VAL CG2 C 13 22.337 0.100 . 1 . . . . 6 V CG2 . 7165 1 86 . 1 1 6 6 VAL N N 15 121.990 0.040 . 1 . . . . 6 V N . 7165 1 87 . 1 1 7 7 GLU H H 1 8.237 0.010 . 1 . . . . 7 E HN . 7165 1 88 . 1 1 7 7 GLU HA H 1 5.369 0.006 . 1 . . . . 7 E HA . 7165 1 89 . 1 1 7 7 GLU HB2 H 1 1.722 0.007 . 1 . . . . 7 E HB2 . 7165 1 90 . 1 1 7 7 GLU HB3 H 1 1.591 0.010 . 1 . . . . 7 E HB3 . 7165 1 91 . 1 1 7 7 GLU HG2 H 1 1.938 0.004 . 1 . . . . 7 E HG2 . 7165 1 92 . 1 1 7 7 GLU HG3 H 1 1.938 0.004 . 1 . . . . 7 E HG3 . 7165 1 93 . 1 1 7 7 GLU C C 13 174.536 0.011 . 1 . . . . 7 E CO . 7165 1 94 . 1 1 7 7 GLU CA C 13 53.233 0.033 . 1 . . . . 7 E CA . 7165 1 95 . 1 1 7 7 GLU CB C 13 33.127 0.042 . 1 . . . . 7 E CB . 7165 1 96 . 1 1 7 7 GLU CG C 13 36.557 0.100 . 1 . . . . 7 E CG . 7165 1 97 . 1 1 7 7 GLU N N 15 122.920 0.082 . 1 . . . . 7 E N . 7165 1 98 . 1 1 8 8 PHE H H 1 9.243 0.006 . 1 . . . . 8 F HN . 7165 1 99 . 1 1 8 8 PHE HA H 1 5.464 0.009 . 1 . . . . 8 F HA . 7165 1 100 . 1 1 8 8 PHE HB2 H 1 2.893 0.014 . 1 . . . . 8 F HB2 . 7165 1 101 . 1 1 8 8 PHE HB3 H 1 2.693 0.004 . 1 . . . . 8 F HB3 . 7165 1 102 . 1 1 8 8 PHE HD1 H 1 6.895 0.002 . 1 . . . . 8 F HD2 . 7165 1 103 . 1 1 8 8 PHE HD2 H 1 6.895 0.002 . 1 . . . . 8 F HD3 . 7165 1 104 . 1 1 8 8 PHE HE1 H 1 6.784 0.005 . 1 . . . . 8 F HE2 . 7165 1 105 . 1 1 8 8 PHE HE2 H 1 6.784 0.005 . 1 . . . . 8 F HE3 . 7165 1 106 . 1 1 8 8 PHE C C 13 174.944 0.001 . 1 . . . . 8 F CO . 7165 1 107 . 1 1 8 8 PHE CA C 13 56.250 0.125 . 1 . . . . 8 F CA . 7165 1 108 . 1 1 8 8 PHE CB C 13 40.151 0.092 . 1 . . . . 8 F CB . 7165 1 109 . 1 1 8 8 PHE N N 15 122.590 0.062 . 1 . . . . 8 F N . 7165 1 110 . 1 1 9 9 LEU H H 1 9.467 0.006 . 1 . . . . 9 L HN . 7165 1 111 . 1 1 9 9 LEU HA H 1 5.004 0.012 . 1 . . . . 9 L HA . 7165 1 112 . 1 1 9 9 LEU HB2 H 1 2.344 0.005 . 1 . . . . 9 L HB2 . 7165 1 113 . 1 1 9 9 LEU HB3 H 1 1.560 0.003 . 1 . . . . 9 L HB3 . 7165 1 114 . 1 1 9 9 LEU HG H 1 1.451 0.006 . 1 . . . . 9 L HG . 7165 1 115 . 1 1 9 9 LEU HD11 H 1 0.861 0.005 . 1 . . . . 9 L HD1# . 7165 1 116 . 1 1 9 9 LEU HD12 H 1 0.861 0.005 . 1 . . . . 9 L HD1# . 7165 1 117 . 1 1 9 9 LEU HD13 H 1 0.861 0.005 . 1 . . . . 9 L HD1# . 7165 1 118 . 1 1 9 9 LEU HD21 H 1 0.780 0.008 . 1 . . . . 9 L HD2# . 7165 1 119 . 1 1 9 9 LEU HD22 H 1 0.780 0.008 . 1 . . . . 9 L HD2# . 7165 1 120 . 1 1 9 9 LEU HD23 H 1 0.780 0.008 . 1 . . . . 9 L HD2# . 7165 1 121 . 1 1 9 9 LEU C C 13 179.684 0.017 . 1 . . . . 9 L CO . 7165 1 122 . 1 1 9 9 LEU CA C 13 54.178 0.122 . 1 . . . . 9 L CA . 7165 1 123 . 1 1 9 9 LEU CB C 13 44.104 0.054 . 1 . . . . 9 L CB . 7165 1 124 . 1 1 9 9 LEU CG C 13 27.836 0.100 . 1 . . . . 9 L CG . 7165 1 125 . 1 1 9 9 LEU CD1 C 13 25.141 0.100 . 1 . . . . 9 L CD1 . 7165 1 126 . 1 1 9 9 LEU CD2 C 13 23.097 0.100 . 1 . . . . 9 L CD2 . 7165 1 127 . 1 1 9 9 LEU N N 15 123.991 0.051 . 1 . . . . 9 L N . 7165 1 128 . 1 1 10 10 GLY H H 1 9.230 0.012 . 1 . . . . 10 G HN . 7165 1 129 . 1 1 10 10 GLY HA2 H 1 4.474 0.002 . 1 . . . . 10 G HA2 . 7165 1 130 . 1 1 10 10 GLY HA3 H 1 3.885 0.006 . 1 . . . . 10 G HA3 . 7165 1 131 . 1 1 10 10 GLY C C 13 174.235 0.013 . 1 . . . . 10 G CO . 7165 1 132 . 1 1 10 10 GLY CA C 13 46.378 0.098 . 1 . . . . 10 G CA . 7165 1 133 . 1 1 10 10 GLY N N 15 110.122 0.064 . 1 . . . . 10 G N . 7165 1 134 . 1 1 11 11 GLY H H 1 8.752 0.005 . 1 . . . . 11 G HN . 7165 1 135 . 1 1 11 11 GLY HA2 H 1 4.495 0.009 . 1 . . . . 11 G HA2 . 7165 1 136 . 1 1 11 11 GLY HA3 H 1 3.704 0.005 . 1 . . . . 11 G HA3 . 7165 1 137 . 1 1 11 11 GLY C C 13 176.373 0.007 . 1 . . . . 11 G CO . 7165 1 138 . 1 1 11 11 GLY CA C 13 44.372 0.057 . 1 . . . . 11 G CA . 7165 1 139 . 1 1 11 11 GLY N N 15 106.553 0.063 . 1 . . . . 11 G N . 7165 1 140 . 1 1 12 12 LEU H H 1 7.137 0.005 . 1 . . . . 12 L HN . 7165 1 141 . 1 1 12 12 LEU HA H 1 4.083 0.004 . 1 . . . . 12 L HA . 7165 1 142 . 1 1 12 12 LEU HB2 H 1 1.879 0.003 . 1 . . . . 12 L HB2 . 7165 1 143 . 1 1 12 12 LEU HB3 H 1 1.797 0.002 . 1 . . . . 12 L HB3 . 7165 1 144 . 1 1 12 12 LEU HG H 1 1.912 0.010 . 1 . . . . 12 L HG . 7165 1 145 . 1 1 12 12 LEU HD11 H 1 1.128 0.005 . 1 . . . . 12 L HD1# . 7165 1 146 . 1 1 12 12 LEU HD12 H 1 1.128 0.005 . 1 . . . . 12 L HD1# . 7165 1 147 . 1 1 12 12 LEU HD13 H 1 1.128 0.005 . 1 . . . . 12 L HD1# . 7165 1 148 . 1 1 12 12 LEU HD21 H 1 1.128 0.005 . 1 . . . . 12 L HD2# . 7165 1 149 . 1 1 12 12 LEU HD22 H 1 1.128 0.005 . 1 . . . . 12 L HD2# . 7165 1 150 . 1 1 12 12 LEU HD23 H 1 1.128 0.005 . 1 . . . . 12 L HD2# . 7165 1 151 . 1 1 12 12 LEU C C 13 175.757 0.011 . 1 . . . . 12 L CO . 7165 1 152 . 1 1 12 12 LEU CA C 13 56.045 0.104 . 1 . . . . 12 L CA . 7165 1 153 . 1 1 12 12 LEU CB C 13 43.916 0.022 . 1 . . . . 12 L CB . 7165 1 154 . 1 1 12 12 LEU CG C 13 27.307 0.100 . 1 . . . . 12 L CG . 7165 1 155 . 1 1 12 12 LEU CD1 C 13 25.130 0.100 . 1 . . . . 12 L CD1 . 7165 1 156 . 1 1 12 12 LEU CD2 C 13 25.130 0.100 . 1 . . . . 12 L CD2 . 7165 1 157 . 1 1 12 12 LEU N N 15 122.128 0.046 . 1 . . . . 12 L N . 7165 1 158 . 1 1 13 13 ASP H H 1 8.382 0.005 . 1 . . . . 13 D HN . 7165 1 159 . 1 1 13 13 ASP HA H 1 4.061 0.005 . 1 . . . . 13 D HA . 7165 1 160 . 1 1 13 13 ASP HB2 H 1 2.702 0.004 . 1 . . . . 13 D HB2 . 7165 1 161 . 1 1 13 13 ASP HB3 H 1 2.429 0.006 . 1 . . . . 13 D HB3 . 7165 1 162 . 1 1 13 13 ASP C C 13 177.439 0.008 . 1 . . . . 13 D CO . 7165 1 163 . 1 1 13 13 ASP CA C 13 56.728 0.259 . 1 . . . . 13 D CA . 7165 1 164 . 1 1 13 13 ASP CB C 13 40.321 0.031 . 1 . . . . 13 D CB . 7165 1 165 . 1 1 13 13 ASP N N 15 115.126 0.059 . 1 . . . . 13 D N . 7165 1 166 . 1 1 14 14 ALA H H 1 7.330 0.023 . 1 . . . . 14 A HN . 7165 1 167 . 1 1 14 14 ALA HA H 1 3.857 0.003 . 1 . . . . 14 A HA . 7165 1 168 . 1 1 14 14 ALA HB1 H 1 1.410 0.006 . 1 . . . . 14 A HB . 7165 1 169 . 1 1 14 14 ALA HB2 H 1 1.410 0.006 . 1 . . . . 14 A HB . 7165 1 170 . 1 1 14 14 ALA HB3 H 1 1.410 0.006 . 1 . . . . 14 A HB . 7165 1 171 . 1 1 14 14 ALA C C 13 179.351 0.004 . 1 . . . . 14 A CO . 7165 1 172 . 1 1 14 14 ALA CA C 13 55.376 0.032 . 1 . . . . 14 A CA . 7165 1 173 . 1 1 14 14 ALA CB C 13 19.376 0.108 . 1 . . . . 14 A CB . 7165 1 174 . 1 1 14 14 ALA N N 15 122.879 0.049 . 1 . . . . 14 A N . 7165 1 175 . 1 1 15 15 ILE H H 1 6.971 0.006 . 1 . . . . 15 I HN . 7165 1 176 . 1 1 15 15 ILE HA H 1 4.192 0.003 . 1 . . . . 15 I HA . 7165 1 177 . 1 1 15 15 ILE HB H 1 1.513 0.008 . 1 . . . . 15 I HB . 7165 1 178 . 1 1 15 15 ILE HG12 H 1 0.761 0.003 . 1 . . . . 15 I HG12 . 7165 1 179 . 1 1 15 15 ILE HG13 H 1 -0.014 0.004 . 1 . . . . 15 I HG13 . 7165 1 180 . 1 1 15 15 ILE HG21 H 1 0.481 0.005 . 1 . . . . 15 I HG2# . 7165 1 181 . 1 1 15 15 ILE HG22 H 1 0.481 0.005 . 1 . . . . 15 I HG2# . 7165 1 182 . 1 1 15 15 ILE HG23 H 1 0.481 0.005 . 1 . . . . 15 I HG2# . 7165 1 183 . 1 1 15 15 ILE HD11 H 1 0.286 0.005 . 1 . . . . 15 I HD1# . 7165 1 184 . 1 1 15 15 ILE HD12 H 1 0.286 0.005 . 1 . . . . 15 I HD1# . 7165 1 185 . 1 1 15 15 ILE HD13 H 1 0.286 0.005 . 1 . . . . 15 I HD1# . 7165 1 186 . 1 1 15 15 ILE C C 13 174.604 0.014 . 1 . . . . 15 I CO . 7165 1 187 . 1 1 15 15 ILE CA C 13 61.530 0.504 . 1 . . . . 15 I CA . 7165 1 188 . 1 1 15 15 ILE CB C 13 37.763 0.089 . 1 . . . . 15 I CB . 7165 1 189 . 1 1 15 15 ILE CG1 C 13 25.895 0.100 . 1 . . . . 15 I CG1 . 7165 1 190 . 1 1 15 15 ILE CG2 C 13 17.859 0.100 . 1 . . . . 15 I CG2 . 7165 1 191 . 1 1 15 15 ILE N N 15 108.984 0.048 . 1 . . . . 15 I N . 7165 1 192 . 1 1 16 16 PHE H H 1 7.234 0.008 . 1 . . . . 16 F HN . 7165 1 193 . 1 1 16 16 PHE HA H 1 4.717 0.007 . 1 . . . . 16 F HA . 7165 1 194 . 1 1 16 16 PHE HB2 H 1 3.023 0.001 . 1 . . . . 16 F HB2 . 7165 1 195 . 1 1 16 16 PHE HB3 H 1 2.104 0.006 . 1 . . . . 16 F HB3 . 7165 1 196 . 1 1 16 16 PHE HD1 H 1 6.229 0.009 . 1 . . . . 16 F HD2 . 7165 1 197 . 1 1 16 16 PHE HD2 H 1 6.229 0.009 . 1 . . . . 16 F HD3 . 7165 1 198 . 1 1 16 16 PHE HE1 H 1 5.870 0.006 . 1 . . . . 16 F HE2 . 7165 1 199 . 1 1 16 16 PHE HE2 H 1 5.870 0.006 . 1 . . . . 16 F HE3 . 7165 1 200 . 1 1 16 16 PHE C C 13 176.699 0.035 . 1 . . . . 16 F CO . 7165 1 201 . 1 1 16 16 PHE CA C 13 56.768 0.061 . 1 . . . . 16 F CA . 7165 1 202 . 1 1 16 16 PHE CB C 13 39.741 0.017 . 1 . . . . 16 F CB . 7165 1 203 . 1 1 16 16 PHE N N 15 122.228 0.065 . 1 . . . . 16 F N . 7165 1 204 . 1 1 17 17 GLY H H 1 8.102 0.007 . 1 . . . . 17 G HN . 7165 1 205 . 1 1 17 17 GLY HA2 H 1 3.980 0.005 . 1 . . . . 17 G HA2 . 7165 1 206 . 1 1 17 17 GLY HA3 H 1 3.762 0.004 . 1 . . . . 17 G HA3 . 7165 1 207 . 1 1 17 17 GLY C C 13 174.876 0.051 . 1 . . . . 17 G CO . 7165 1 208 . 1 1 17 17 GLY CA C 13 46.766 0.078 . 1 . . . . 17 G CA . 7165 1 209 . 1 1 17 17 GLY N N 15 107.803 0.059 . 1 . . . . 17 G N . 7165 1 210 . 1 1 18 18 LYS H H 1 7.967 0.004 . 1 . . . . 18 K HN . 7165 1 211 . 1 1 18 18 LYS HA H 1 3.888 0.005 . 1 . . . . 18 K HA . 7165 1 212 . 1 1 18 18 LYS HB2 H 1 1.975 0.005 . 1 . . . . 18 K HB2 . 7165 1 213 . 1 1 18 18 LYS HB3 H 1 1.975 0.005 . 1 . . . . 18 K HB3 . 7165 1 214 . 1 1 18 18 LYS HG2 H 1 1.360 0.002 . 1 . . . . 18 K HG2 . 7165 1 215 . 1 1 18 18 LYS HG3 H 1 1.285 0.004 . 1 . . . . 18 K HG3 . 7165 1 216 . 1 1 18 18 LYS HD2 H 1 1.638 0.004 . 1 . . . . 18 K HD2 . 7165 1 217 . 1 1 18 18 LYS HD3 H 1 1.638 0.004 . 1 . . . . 18 K HD3 . 7165 1 218 . 1 1 18 18 LYS HE2 H 1 2.967 0.010 . 1 . . . . 18 K HE2 . 7165 1 219 . 1 1 18 18 LYS HE3 H 1 2.967 0.010 . 1 . . . . 18 K HE3 . 7165 1 220 . 1 1 18 18 LYS C C 13 175.011 0.067 . 1 . . . . 18 K CO . 7165 1 221 . 1 1 18 18 LYS CA C 13 57.071 0.027 . 1 . . . . 18 K CA . 7165 1 222 . 1 1 18 18 LYS CB C 13 29.146 0.129 . 1 . . . . 18 K CB . 7165 1 223 . 1 1 18 18 LYS CG C 13 25.350 0.100 . 1 . . . . 18 K CG . 7165 1 224 . 1 1 18 18 LYS CD C 13 25.895 0.100 . 1 . . . . 18 K CD . 7165 1 225 . 1 1 18 18 LYS CE C 13 42.079 0.100 . 1 . . . . 18 K CE . 7165 1 226 . 1 1 18 18 LYS N N 15 112.774 0.076 . 1 . . . . 18 K N . 7165 1 227 . 1 1 19 19 GLN H H 1 7.074 0.007 . 1 . . . . 19 Q HN . 7165 1 228 . 1 1 19 19 GLN HA H 1 4.638 0.007 . 1 . . . . 19 Q HA . 7165 1 229 . 1 1 19 19 GLN HB2 H 1 1.930 0.001 . 1 . . . . 19 Q HB2 . 7165 1 230 . 1 1 19 19 GLN HB3 H 1 1.930 0.001 . 1 . . . . 19 Q HB3 . 7165 1 231 . 1 1 19 19 GLN HG2 H 1 2.165 0.010 . 1 . . . . 19 Q HG2 . 7165 1 232 . 1 1 19 19 GLN HG3 H 1 1.751 0.005 . 1 . . . . 19 Q HG3 . 7165 1 233 . 1 1 19 19 GLN HE21 H 1 7.215 0.010 . 1 . . . . 19 Q HN21 . 7165 1 234 . 1 1 19 19 GLN HE22 H 1 6.582 0.001 . 1 . . . . 19 Q HN22 . 7165 1 235 . 1 1 19 19 GLN C C 13 175.128 0.011 . 1 . . . . 19 Q CO . 7165 1 236 . 1 1 19 19 GLN CA C 13 54.393 0.130 . 1 . . . . 19 Q CA . 7165 1 237 . 1 1 19 19 GLN CB C 13 30.452 0.054 . 1 . . . . 19 Q CB . 7165 1 238 . 1 1 19 19 GLN CG C 13 32.698 0.152 . 1 . . . . 19 Q CG . 7165 1 239 . 1 1 19 19 GLN N N 15 118.576 0.051 . 1 . . . . 19 Q N . 7165 1 240 . 1 1 19 19 GLN NE2 N 15 111.210 0.072 . 1 . . . . 19 Q NE2 . 7165 1 241 . 1 1 20 20 ARG H H 1 8.691 0.007 . 1 . . . . 20 R HN . 7165 1 242 . 1 1 20 20 ARG HA H 1 4.529 0.002 . 1 . . . . 20 R HA . 7165 1 243 . 1 1 20 20 ARG HB2 H 1 1.970 0.003 . 1 . . . . 20 R HB2 . 7165 1 244 . 1 1 20 20 ARG HB3 H 1 1.909 0.006 . 1 . . . . 20 R HB3 . 7165 1 245 . 1 1 20 20 ARG HG2 H 1 1.886 0.010 . 1 . . . . 20 R HG2 . 7165 1 246 . 1 1 20 20 ARG HG3 H 1 1.750 0.008 . 1 . . . . 20 R HG3 . 7165 1 247 . 1 1 20 20 ARG HD2 H 1 3.252 0.010 . 1 . . . . 20 R HD2 . 7165 1 248 . 1 1 20 20 ARG HD3 H 1 3.200 0.003 . 1 . . . . 20 R HD3 . 7165 1 249 . 1 1 20 20 ARG C C 13 175.764 0.022 . 1 . . . . 20 R CO . 7165 1 250 . 1 1 20 20 ARG CA C 13 59.703 0.029 . 1 . . . . 20 R CA . 7165 1 251 . 1 1 20 20 ARG CB C 13 32.117 0.035 . 1 . . . . 20 R CB . 7165 1 252 . 1 1 20 20 ARG CG C 13 28.453 0.100 . 1 . . . . 20 R CG . 7165 1 253 . 1 1 20 20 ARG CD C 13 43.843 0.100 . 1 . . . . 20 R CD . 7165 1 254 . 1 1 20 20 ARG N N 15 126.789 0.067 . 1 . . . . 20 R N . 7165 1 255 . 1 1 21 21 VAL H H 1 7.947 0.006 . 1 . . . . 21 V HN . 7165 1 256 . 1 1 21 21 VAL HA H 1 4.919 0.014 . 1 . . . . 21 V HA . 7165 1 257 . 1 1 21 21 VAL HB H 1 1.894 0.007 . 1 . . . . 21 V HB . 7165 1 258 . 1 1 21 21 VAL HG11 H 1 0.889 0.009 . 1 . . . . 21 V HG1# . 7165 1 259 . 1 1 21 21 VAL HG12 H 1 0.889 0.009 . 1 . . . . 21 V HG1# . 7165 1 260 . 1 1 21 21 VAL HG13 H 1 0.889 0.009 . 1 . . . . 21 V HG1# . 7165 1 261 . 1 1 21 21 VAL HG21 H 1 0.800 0.010 . 1 . . . . 21 V HG2# . 7165 1 262 . 1 1 21 21 VAL HG22 H 1 0.800 0.010 . 1 . . . . 21 V HG2# . 7165 1 263 . 1 1 21 21 VAL HG23 H 1 0.800 0.010 . 1 . . . . 21 V HG2# . 7165 1 264 . 1 1 21 21 VAL C C 13 175.725 0.007 . 1 . . . . 21 V CO . 7165 1 265 . 1 1 21 21 VAL CA C 13 61.729 0.097 . 1 . . . . 21 V CA . 7165 1 266 . 1 1 21 21 VAL CB C 13 33.520 0.048 . 1 . . . . 21 V CB . 7165 1 267 . 1 1 21 21 VAL N N 15 115.670 0.050 . 1 . . . . 21 V N . 7165 1 268 . 1 1 22 22 HIS H H 1 9.461 0.005 . 1 . . . . 22 H HN . 7165 1 269 . 1 1 22 22 HIS HA H 1 4.621 0.004 . 1 . . . . 22 H HA . 7165 1 270 . 1 1 22 22 HIS HB2 H 1 2.786 0.005 . 1 . . . . 22 H HB2 . 7165 1 271 . 1 1 22 22 HIS HB3 H 1 2.704 0.001 . 1 . . . . 22 H HB3 . 7165 1 272 . 1 1 22 22 HIS C C 13 174.019 0.100 . 1 . . . . 22 H CO . 7165 1 273 . 1 1 22 22 HIS CA C 13 54.915 0.025 . 1 . . . . 22 H CA . 7165 1 274 . 1 1 22 22 HIS CB C 13 34.553 0.056 . 1 . . . . 22 H CB . 7165 1 275 . 1 1 22 22 HIS N N 15 128.009 0.066 . 1 . . . . 22 H N . 7165 1 276 . 1 1 23 23 LYS H H 1 8.869 0.005 . 1 . . . . 23 K HN . 7165 1 277 . 1 1 23 23 LYS HA H 1 4.684 0.009 . 1 . . . . 23 K HA . 7165 1 278 . 1 1 23 23 LYS HB2 H 1 1.805 0.003 . 1 . . . . 23 K HB2 . 7165 1 279 . 1 1 23 23 LYS HB3 H 1 1.715 0.010 . 1 . . . . 23 K HB3 . 7165 1 280 . 1 1 23 23 LYS HG2 H 1 1.395 0.005 . 1 . . . . 23 K HG2 . 7165 1 281 . 1 1 23 23 LYS HG3 H 1 1.219 0.005 . 1 . . . . 23 K HG3 . 7165 1 282 . 1 1 23 23 LYS HD2 H 1 1.623 0.002 . 1 . . . . 23 K HD2 . 7165 1 283 . 1 1 23 23 LYS HD3 H 1 1.623 0.002 . 1 . . . . 23 K HD3 . 7165 1 284 . 1 1 23 23 LYS HE2 H 1 2.867 0.001 . 1 . . . . 23 K HE2 . 7165 1 285 . 1 1 23 23 LYS HE3 H 1 2.867 0.001 . 1 . . . . 23 K HE3 . 7165 1 286 . 1 1 23 23 LYS C C 13 175.748 0.004 . 1 . . . . 23 K CO . 7165 1 287 . 1 1 23 23 LYS CA C 13 56.062 0.089 . 1 . . . . 23 K CA . 7165 1 288 . 1 1 23 23 LYS CB C 13 32.165 0.005 . 1 . . . . 23 K CB . 7165 1 289 . 1 1 23 23 LYS CG C 13 25.498 0.100 . 1 . . . . 23 K CG . 7165 1 290 . 1 1 23 23 LYS CD C 13 29.518 0.100 . 1 . . . . 23 K CD . 7165 1 291 . 1 1 23 23 LYS CE C 13 41.869 0.100 . 1 . . . . 23 K CE . 7165 1 292 . 1 1 23 23 LYS N N 15 124.353 0.056 . 1 . . . . 23 K N . 7165 1 293 . 1 1 24 24 ILE H H 1 8.778 0.006 . 1 . . . . 24 I HN . 7165 1 294 . 1 1 24 24 ILE HA H 1 4.268 0.004 . 1 . . . . 24 I HA . 7165 1 295 . 1 1 24 24 ILE HB H 1 1.575 0.004 . 1 . . . . 24 I HB . 7165 1 296 . 1 1 24 24 ILE HG12 H 1 1.315 0.002 . 1 . . . . 24 I HG12 . 7165 1 297 . 1 1 24 24 ILE HG13 H 1 1.174 0.002 . 1 . . . . 24 I HG13 . 7165 1 298 . 1 1 24 24 ILE HG21 H 1 0.547 0.007 . 1 . . . . 24 I HG2# . 7165 1 299 . 1 1 24 24 ILE HG22 H 1 0.547 0.007 . 1 . . . . 24 I HG2# . 7165 1 300 . 1 1 24 24 ILE HG23 H 1 0.547 0.007 . 1 . . . . 24 I HG2# . 7165 1 301 . 1 1 24 24 ILE HD11 H 1 0.710 0.013 . 1 . . . . 24 I HD1# . 7165 1 302 . 1 1 24 24 ILE HD12 H 1 0.710 0.013 . 1 . . . . 24 I HD1# . 7165 1 303 . 1 1 24 24 ILE HD13 H 1 0.710 0.013 . 1 . . . . 24 I HD1# . 7165 1 304 . 1 1 24 24 ILE CA C 13 60.190 0.078 . 1 . . . . 24 I CA . 7165 1 305 . 1 1 24 24 ILE CB C 13 40.707 0.121 . 1 . . . . 24 I CB . 7165 1 306 . 1 1 24 24 ILE CG1 C 13 27.312 0.100 . 1 . . . . 24 I CG1 . 7165 1 307 . 1 1 24 24 ILE CG2 C 13 17.565 0.100 . 1 . . . . 24 I CG2 . 7165 1 308 . 1 1 24 24 ILE CD1 C 13 14.178 0.100 . 1 . . . . 24 I CD1 . 7165 1 309 . 1 1 24 24 ILE N N 15 126.156 0.067 . 1 . . . . 24 I N . 7165 1 310 . 1 1 25 25 LYS H H 1 8.383 0.006 . 1 . . . . 25 K HN . 7165 1 311 . 1 1 25 25 LYS HA H 1 4.795 0.004 . 1 . . . . 25 K HA . 7165 1 312 . 1 1 25 25 LYS HB2 H 1 1.667 0.010 . 1 . . . . 25 K HB2 . 7165 1 313 . 1 1 25 25 LYS HB3 H 1 1.601 0.010 . 1 . . . . 25 K HB3 . 7165 1 314 . 1 1 25 25 LYS HG2 H 1 1.274 0.004 . 1 . . . . 25 K HG2 . 7165 1 315 . 1 1 25 25 LYS HG3 H 1 1.057 0.007 . 1 . . . . 25 K HG3 . 7165 1 316 . 1 1 25 25 LYS HD2 H 1 1.656 0.002 . 1 . . . . 25 K HD2 . 7165 1 317 . 1 1 25 25 LYS HD3 H 1 1.656 0.002 . 1 . . . . 25 K HD3 . 7165 1 318 . 1 1 25 25 LYS HE2 H 1 2.941 0.010 . 1 . . . . 25 K HE2 . 7165 1 319 . 1 1 25 25 LYS HE3 H 1 2.941 0.010 . 1 . . . . 25 K HE3 . 7165 1 320 . 1 1 25 25 LYS C C 13 175.888 0.004 . 1 . . . . 25 K CO . 7165 1 321 . 1 1 25 25 LYS CA C 13 54.825 0.060 . 1 . . . . 25 K CA . 7165 1 322 . 1 1 25 25 LYS CB C 13 33.413 0.034 . 1 . . . . 25 K CB . 7165 1 323 . 1 1 25 25 LYS CG C 13 24.221 0.100 . 1 . . . . 25 K CG . 7165 1 324 . 1 1 25 25 LYS CD C 13 29.543 0.100 . 1 . . . . 25 K CD . 7165 1 325 . 1 1 25 25 LYS CE C 13 41.831 0.100 . 1 . . . . 25 K CE . 7165 1 326 . 1 1 25 25 LYS N N 15 128.544 0.081 . 1 . . . . 25 K N . 7165 1 327 . 1 1 26 26 MET H H 1 8.811 0.005 . 1 . . . . 26 M HN . 7165 1 328 . 1 1 26 26 MET HA H 1 4.498 0.002 . 1 . . . . 26 M HA . 7165 1 329 . 1 1 26 26 MET HB2 H 1 1.986 0.009 . 1 . . . . 26 M HB2 . 7165 1 330 . 1 1 26 26 MET HB3 H 1 1.708 0.005 . 1 . . . . 26 M HB3 . 7165 1 331 . 1 1 26 26 MET HG2 H 1 2.047 0.010 . 1 . . . . 26 M HG2 . 7165 1 332 . 1 1 26 26 MET HG3 H 1 1.924 0.010 . 1 . . . . 26 M HG3 . 7165 1 333 . 1 1 26 26 MET C C 13 174.966 0.013 . 1 . . . . 26 M CO . 7165 1 334 . 1 1 26 26 MET CA C 13 53.430 0.096 . 1 . . . . 26 M CA . 7165 1 335 . 1 1 26 26 MET CB C 13 32.142 0.017 . 1 . . . . 26 M CB . 7165 1 336 . 1 1 26 26 MET CG C 13 31.368 0.100 . 1 . . . . 26 M CG . 7165 1 337 . 1 1 26 26 MET N N 15 124.514 0.073 . 1 . . . . 26 M N . 7165 1 338 . 1 1 27 27 ASP H H 1 8.508 0.007 . 1 . . . . 27 D HN . 7165 1 339 . 1 1 27 27 ASP HA H 1 4.560 0.003 . 1 . . . . 27 D HA . 7165 1 340 . 1 1 27 27 ASP HB2 H 1 2.697 0.006 . 1 . . . . 27 D HB2 . 7165 1 341 . 1 1 27 27 ASP HB3 H 1 2.403 0.002 . 1 . . . . 27 D HB3 . 7165 1 342 . 1 1 27 27 ASP C C 13 175.094 0.007 . 1 . . . . 27 D CO . 7165 1 343 . 1 1 27 27 ASP CA C 13 53.692 0.050 . 1 . . . . 27 D CA . 7165 1 344 . 1 1 27 27 ASP CB C 13 40.773 0.004 . 1 . . . . 27 D CB . 7165 1 345 . 1 1 27 27 ASP N N 15 124.732 0.069 . 1 . . . . 27 D N . 7165 1 346 . 1 1 28 28 LYS H H 1 7.265 0.007 . 1 . . . . 28 K HN . 7165 1 347 . 1 1 28 28 LYS HA H 1 4.186 0.006 . 1 . . . . 28 K HA . 7165 1 348 . 1 1 28 28 LYS HB2 H 1 1.697 0.009 . 1 . . . . 28 K HB2 . 7165 1 349 . 1 1 28 28 LYS HB3 H 1 1.576 0.006 . 1 . . . . 28 K HB3 . 7165 1 350 . 1 1 28 28 LYS HG2 H 1 1.349 0.002 . 1 . . . . 28 K HG2 . 7165 1 351 . 1 1 28 28 LYS HG3 H 1 1.349 0.002 . 1 . . . . 28 K HG3 . 7165 1 352 . 1 1 28 28 LYS HE2 H 1 3.038 0.007 . 1 . . . . 28 K HE2 . 7165 1 353 . 1 1 28 28 LYS HE3 H 1 3.038 0.007 . 1 . . . . 28 K HE3 . 7165 1 354 . 1 1 28 28 LYS C C 13 173.972 0.013 . 1 . . . . 28 K CO . 7165 1 355 . 1 1 28 28 LYS CA C 13 55.712 0.014 . 1 . . . . 28 K CA . 7165 1 356 . 1 1 28 28 LYS CB C 13 33.964 0.052 . 1 . . . . 28 K CB . 7165 1 357 . 1 1 28 28 LYS CG C 13 24.228 0.100 . 1 . . . . 28 K CG . 7165 1 358 . 1 1 28 28 LYS CD C 13 29.299 0.100 . 1 . . . . 28 K CD . 7165 1 359 . 1 1 28 28 LYS CE C 13 42.147 0.100 . 1 . . . . 28 K CE . 7165 1 360 . 1 1 28 28 LYS N N 15 121.450 0.047 . 1 . . . . 28 K N . 7165 1 361 . 1 1 29 29 GLU H H 1 8.335 0.005 . 1 . . . . 29 E HN . 7165 1 362 . 1 1 29 29 GLU HA H 1 4.029 0.004 . 1 . . . . 29 E HA . 7165 1 363 . 1 1 29 29 GLU HB2 H 1 1.982 0.010 . 1 . . . . 29 E HB2 . 7165 1 364 . 1 1 29 29 GLU HB3 H 1 1.846 0.008 . 1 . . . . 29 E HB3 . 7165 1 365 . 1 1 29 29 GLU HG2 H 1 2.334 0.004 . 1 . . . . 29 E HG2 . 7165 1 366 . 1 1 29 29 GLU HG3 H 1 2.334 0.004 . 1 . . . . 29 E HG3 . 7165 1 367 . 1 1 29 29 GLU C C 13 175.113 0.014 . 1 . . . . 29 E CO . 7165 1 368 . 1 1 29 29 GLU CA C 13 56.332 0.091 . 1 . . . . 29 E CA . 7165 1 369 . 1 1 29 29 GLU CB C 13 30.024 0.049 . 1 . . . . 29 E CB . 7165 1 370 . 1 1 29 29 GLU CG C 13 36.208 0.100 . 1 . . . . 29 E CG . 7165 1 371 . 1 1 29 29 GLU N N 15 122.666 0.050 . 1 . . . . 29 E N . 7165 1 372 . 1 1 30 30 ASP H H 1 8.195 0.006 . 1 . . . . 30 D HN . 7165 1 373 . 1 1 30 30 ASP HA H 1 4.373 0.002 . 1 . . . . 30 D HA . 7165 1 374 . 1 1 30 30 ASP HB2 H 1 2.606 0.002 . 1 . . . . 30 D HB2 . 7165 1 375 . 1 1 30 30 ASP HB3 H 1 2.353 0.006 . 1 . . . . 30 D HB3 . 7165 1 376 . 1 1 30 30 ASP C C 13 174.697 0.100 . 1 . . . . 30 D CO . 7165 1 377 . 1 1 30 30 ASP CA C 13 53.837 0.100 . 1 . . . . 30 D CA . 7165 1 378 . 1 1 30 30 ASP CB C 13 40.172 0.100 . 1 . . . . 30 D CB . 7165 1 379 . 1 1 30 30 ASP N N 15 120.860 0.062 . 1 . . . . 30 D N . 7165 1 380 . 1 1 31 31 PRO HA H 1 4.443 0.002 . 1 . . . . 31 P HA . 7165 1 381 . 1 1 31 31 PRO HB2 H 1 2.332 0.005 . 1 . . . . 31 P HB2 . 7165 1 382 . 1 1 31 31 PRO HB3 H 1 1.841 0.007 . 1 . . . . 31 P HB3 . 7165 1 383 . 1 1 31 31 PRO HG2 H 1 2.038 0.010 . 1 . . . . 31 P HG2 . 7165 1 384 . 1 1 31 31 PRO HG3 H 1 1.923 0.010 . 1 . . . . 31 P HG3 . 7165 1 385 . 1 1 31 31 PRO HD2 H 1 3.608 0.002 . 1 . . . . 31 P HD2 . 7165 1 386 . 1 1 31 31 PRO HD3 H 1 3.458 0.003 . 1 . . . . 31 P HD3 . 7165 1 387 . 1 1 31 31 PRO C C 13 174.585 0.016 . 1 . . . . 31 P CO . 7165 1 388 . 1 1 31 31 PRO CA C 13 62.037 0.104 . 1 . . . . 31 P CA . 7165 1 389 . 1 1 31 31 PRO CB C 13 34.877 0.004 . 1 . . . . 31 P CB . 7165 1 390 . 1 1 31 31 PRO CG C 13 24.556 0.100 . 1 . . . . 31 P CG . 7165 1 391 . 1 1 31 31 PRO CD C 13 50.489 0.100 . 1 . . . . 31 P CD . 7165 1 392 . 1 1 32 32 VAL H H 1 9.372 0.007 . 1 . . . . 32 V HN . 7165 1 393 . 1 1 32 32 VAL HA H 1 4.380 0.003 . 1 . . . . 32 V HA . 7165 1 394 . 1 1 32 32 VAL HB H 1 2.005 0.004 . 1 . . . . 32 V HB . 7165 1 395 . 1 1 32 32 VAL HG11 H 1 0.928 0.008 . 1 . . . . 32 V HG1# . 7165 1 396 . 1 1 32 32 VAL HG12 H 1 0.928 0.008 . 1 . . . . 32 V HG1# . 7165 1 397 . 1 1 32 32 VAL HG13 H 1 0.928 0.008 . 1 . . . . 32 V HG1# . 7165 1 398 . 1 1 32 32 VAL HG21 H 1 0.764 0.004 . 1 . . . . 32 V HG2# . 7165 1 399 . 1 1 32 32 VAL HG22 H 1 0.764 0.004 . 1 . . . . 32 V HG2# . 7165 1 400 . 1 1 32 32 VAL HG23 H 1 0.764 0.004 . 1 . . . . 32 V HG2# . 7165 1 401 . 1 1 32 32 VAL C C 13 175.282 0.008 . 1 . . . . 32 V CO . 7165 1 402 . 1 1 32 32 VAL CA C 13 61.364 0.008 . 1 . . . . 32 V CA . 7165 1 403 . 1 1 32 32 VAL CB C 13 32.333 0.034 . 1 . . . . 32 V CB . 7165 1 404 . 1 1 32 32 VAL CG1 C 13 23.665 0.100 . 1 . . . . 32 V CG1 . 7165 1 405 . 1 1 32 32 VAL CG2 C 13 22.740 0.100 . 1 . . . . 32 V CG2 . 7165 1 406 . 1 1 32 32 VAL N N 15 126.222 0.065 . 1 . . . . 32 V N . 7165 1 407 . 1 1 33 33 THR H H 1 9.099 0.006 . 1 . . . . 33 T HN . 7165 1 408 . 1 1 33 33 THR HA H 1 5.630 0.005 . 1 . . . . 33 T HA . 7165 1 409 . 1 1 33 33 THR HB H 1 5.073 0.005 . 1 . . . . 33 T HB . 7165 1 410 . 1 1 33 33 THR HG21 H 1 1.088 0.005 . 1 . . . . 33 T HG2# . 7165 1 411 . 1 1 33 33 THR HG22 H 1 1.088 0.005 . 1 . . . . 33 T HG2# . 7165 1 412 . 1 1 33 33 THR HG23 H 1 1.088 0.005 . 1 . . . . 33 T HG2# . 7165 1 413 . 1 1 33 33 THR C C 13 177.761 0.019 . 1 . . . . 33 T CO . 7165 1 414 . 1 1 33 33 THR CA C 13 59.897 0.111 . 1 . . . . 33 T CA . 7165 1 415 . 1 1 33 33 THR CB C 13 72.406 0.079 . 1 . . . . 33 T CB . 7165 1 416 . 1 1 33 33 THR CG2 C 13 21.703 0.100 . 1 . . . . 33 T CG2 . 7165 1 417 . 1 1 33 33 THR N N 15 116.392 0.043 . 1 . . . . 33 T N . 7165 1 418 . 1 1 34 34 VAL H H 1 8.692 0.007 . 1 . . . . 34 V HN . 7165 1 419 . 1 1 34 34 VAL HA H 1 3.907 0.013 . 1 . . . . 34 V HA . 7165 1 420 . 1 1 34 34 VAL HB H 1 2.573 0.009 . 1 . . . . 34 V HB . 7165 1 421 . 1 1 34 34 VAL HG11 H 1 1.398 0.017 . 1 . . . . 34 V HG1# . 7165 1 422 . 1 1 34 34 VAL HG12 H 1 1.398 0.017 . 1 . . . . 34 V HG1# . 7165 1 423 . 1 1 34 34 VAL HG13 H 1 1.398 0.017 . 1 . . . . 34 V HG1# . 7165 1 424 . 1 1 34 34 VAL HG21 H 1 1.290 0.004 . 1 . . . . 34 V HG2# . 7165 1 425 . 1 1 34 34 VAL HG22 H 1 1.290 0.004 . 1 . . . . 34 V HG2# . 7165 1 426 . 1 1 34 34 VAL HG23 H 1 1.290 0.004 . 1 . . . . 34 V HG2# . 7165 1 427 . 1 1 34 34 VAL C C 13 178.296 0.016 . 1 . . . . 34 V CO . 7165 1 428 . 1 1 34 34 VAL CA C 13 66.809 0.016 . 1 . . . . 34 V CA . 7165 1 429 . 1 1 34 34 VAL CB C 13 31.229 0.125 . 1 . . . . 34 V CB . 7165 1 430 . 1 1 34 34 VAL N N 15 120.709 0.049 . 1 . . . . 34 V N . 7165 1 431 . 1 1 35 35 GLY H H 1 9.430 0.006 . 1 . . . . 35 G HN . 7165 1 432 . 1 1 35 35 GLY HA2 H 1 4.218 0.003 . 1 . . . . 35 G HA2 . 7165 1 433 . 1 1 35 35 GLY HA3 H 1 3.789 0.004 . 1 . . . . 35 G HA3 . 7165 1 434 . 1 1 35 35 GLY C C 13 175.765 0.016 . 1 . . . . 35 G CO . 7165 1 435 . 1 1 35 35 GLY CA C 13 47.919 0.056 . 1 . . . . 35 G CA . 7165 1 436 . 1 1 35 35 GLY N N 15 110.148 0.055 . 1 . . . . 35 G N . 7165 1 437 . 1 1 36 36 ASP H H 1 7.935 0.005 . 1 . . . . 36 D HN . 7165 1 438 . 1 1 36 36 ASP HA H 1 4.398 0.004 . 1 . . . . 36 D HA . 7165 1 439 . 1 1 36 36 ASP HB2 H 1 3.291 0.003 . 1 . . . . 36 D HB2 . 7165 1 440 . 1 1 36 36 ASP HB3 H 1 2.466 0.010 . 1 . . . . 36 D HB3 . 7165 1 441 . 1 1 36 36 ASP C C 13 179.405 0.009 . 1 . . . . 36 D CO . 7165 1 442 . 1 1 36 36 ASP CA C 13 57.700 0.033 . 1 . . . . 36 D CA . 7165 1 443 . 1 1 36 36 ASP CB C 13 40.836 0.059 . 1 . . . . 36 D CB . 7165 1 444 . 1 1 36 36 ASP N N 15 122.738 0.050 . 1 . . . . 36 D N . 7165 1 445 . 1 1 37 37 LEU H H 1 8.226 0.005 . 1 . . . . 37 L HN . 7165 1 446 . 1 1 37 37 LEU HA H 1 4.226 0.007 . 1 . . . . 37 L HA . 7165 1 447 . 1 1 37 37 LEU HB2 H 1 2.613 0.004 . 1 . . . . 37 L HB2 . 7165 1 448 . 1 1 37 37 LEU HB3 H 1 1.474 0.007 . 1 . . . . 37 L HB3 . 7165 1 449 . 1 1 37 37 LEU HG H 1 1.003 0.010 . 1 . . . . 37 L HG . 7165 1 450 . 1 1 37 37 LEU HD11 H 1 1.706 0.006 . 1 . . . . 37 L HD1# . 7165 1 451 . 1 1 37 37 LEU HD12 H 1 1.706 0.006 . 1 . . . . 37 L HD1# . 7165 1 452 . 1 1 37 37 LEU HD13 H 1 1.706 0.006 . 1 . . . . 37 L HD1# . 7165 1 453 . 1 1 37 37 LEU HD21 H 1 0.940 0.003 . 1 . . . . 37 L HD2# . 7165 1 454 . 1 1 37 37 LEU HD22 H 1 0.940 0.003 . 1 . . . . 37 L HD2# . 7165 1 455 . 1 1 37 37 LEU HD23 H 1 0.940 0.003 . 1 . . . . 37 L HD2# . 7165 1 456 . 1 1 37 37 LEU C C 13 177.916 0.030 . 1 . . . . 37 L CO . 7165 1 457 . 1 1 37 37 LEU CA C 13 58.030 0.089 . 1 . . . . 37 L CA . 7165 1 458 . 1 1 37 37 LEU CB C 13 42.039 0.002 . 1 . . . . 37 L CB . 7165 1 459 . 1 1 37 37 LEU CD1 C 13 27.176 0.100 . 1 . . . . 37 L CD1 . 7165 1 460 . 1 1 37 37 LEU CD2 C 13 23.939 0.100 . 1 . . . . 37 L CD2 . 7165 1 461 . 1 1 37 37 LEU N N 15 124.080 0.043 . 1 . . . . 37 L N . 7165 1 462 . 1 1 38 38 ILE H H 1 9.094 0.005 . 1 . . . . 38 I HN . 7165 1 463 . 1 1 38 38 ILE HA H 1 3.591 0.010 . 1 . . . . 38 I HA . 7165 1 464 . 1 1 38 38 ILE HB H 1 2.072 0.012 . 1 . . . . 38 I HB . 7165 1 465 . 1 1 38 38 ILE HG12 H 1 2.103 0.010 . 1 . . . . 38 I HG12 . 7165 1 466 . 1 1 38 38 ILE HG13 H 1 1.036 0.010 . 1 . . . . 38 I HG13 . 7165 1 467 . 1 1 38 38 ILE HG21 H 1 0.917 0.009 . 1 . . . . 38 I HG2# . 7165 1 468 . 1 1 38 38 ILE HG22 H 1 0.917 0.009 . 1 . . . . 38 I HG2# . 7165 1 469 . 1 1 38 38 ILE HG23 H 1 0.917 0.009 . 1 . . . . 38 I HG2# . 7165 1 470 . 1 1 38 38 ILE HD11 H 1 1.084 0.006 . 1 . . . . 38 I HD1# . 7165 1 471 . 1 1 38 38 ILE HD12 H 1 1.084 0.006 . 1 . . . . 38 I HD1# . 7165 1 472 . 1 1 38 38 ILE HD13 H 1 1.084 0.006 . 1 . . . . 38 I HD1# . 7165 1 473 . 1 1 38 38 ILE C C 13 177.128 0.005 . 1 . . . . 38 I CO . 7165 1 474 . 1 1 38 38 ILE CA C 13 66.953 0.057 . 1 . . . . 38 I CA . 7165 1 475 . 1 1 38 38 ILE CB C 13 38.041 0.050 . 1 . . . . 38 I CB . 7165 1 476 . 1 1 38 38 ILE N N 15 121.147 0.049 . 1 . . . . 38 I N . 7165 1 477 . 1 1 39 39 ASP H H 1 7.944 0.006 . 1 . . . . 39 D HN . 7165 1 478 . 1 1 39 39 ASP HA H 1 4.414 0.010 . 1 . . . . 39 D HA . 7165 1 479 . 1 1 39 39 ASP HB2 H 1 2.846 0.007 . 1 . . . . 39 D HB2 . 7165 1 480 . 1 1 39 39 ASP HB3 H 1 2.773 0.005 . 1 . . . . 39 D HB3 . 7165 1 481 . 1 1 39 39 ASP C C 13 179.192 0.031 . 1 . . . . 39 D CO . 7165 1 482 . 1 1 39 39 ASP CA C 13 57.684 0.028 . 1 . . . . 39 D CA . 7165 1 483 . 1 1 39 39 ASP CB C 13 40.448 0.062 . 1 . . . . 39 D CB . 7165 1 484 . 1 1 39 39 ASP N N 15 118.721 0.077 . 1 . . . . 39 D N . 7165 1 485 . 1 1 40 40 HIS H H 1 8.133 0.007 . 1 . . . . 40 H HN . 7165 1 486 . 1 1 40 40 HIS HA H 1 4.265 0.010 . 1 . . . . 40 H HA . 7165 1 487 . 1 1 40 40 HIS HB2 H 1 3.582 0.002 . 1 . . . . 40 H HB2 . 7165 1 488 . 1 1 40 40 HIS HB3 H 1 3.048 0.006 . 1 . . . . 40 H HB3 . 7165 1 489 . 1 1 40 40 HIS C C 13 178.372 0.016 . 1 . . . . 40 H CO . 7165 1 490 . 1 1 40 40 HIS CA C 13 60.533 0.087 . 1 . . . . 40 H CA . 7165 1 491 . 1 1 40 40 HIS CB C 13 31.213 0.024 . 1 . . . . 40 H CB . 7165 1 492 . 1 1 40 40 HIS N N 15 121.550 0.065 . 1 . . . . 40 H N . 7165 1 493 . 1 1 41 41 ILE H H 1 8.974 0.005 . 1 . . . . 41 H HN . 7165 1 494 . 1 1 41 41 ILE HA H 1 3.585 0.005 . 1 . . . . 41 H HA . 7165 1 495 . 1 1 41 41 ILE HB H 1 2.059 0.007 . 1 . . . . 41 H HB . 7165 1 496 . 1 1 41 41 ILE HG12 H 1 2.011 0.002 . 1 . . . . 41 H HG12 . 7165 1 497 . 1 1 41 41 ILE HG13 H 1 1.273 0.004 . 1 . . . . 41 H HG13 . 7165 1 498 . 1 1 41 41 ILE HG21 H 1 0.625 0.007 . 1 . . . . 41 H HG2# . 7165 1 499 . 1 1 41 41 ILE HG22 H 1 0.625 0.007 . 1 . . . . 41 H HG2# . 7165 1 500 . 1 1 41 41 ILE HG23 H 1 0.625 0.007 . 1 . . . . 41 H HG2# . 7165 1 501 . 1 1 41 41 ILE HD11 H 1 0.812 0.010 . 1 . . . . 41 H HD1# . 7165 1 502 . 1 1 41 41 ILE HD12 H 1 0.812 0.010 . 1 . . . . 41 H HD1# . 7165 1 503 . 1 1 41 41 ILE HD13 H 1 0.812 0.010 . 1 . . . . 41 H HD1# . 7165 1 504 . 1 1 41 41 ILE C C 13 178.412 0.019 . 1 . . . . 41 H CO . 7165 1 505 . 1 1 41 41 ILE CA C 13 65.521 0.109 . 1 . . . . 41 H CA . 7165 1 506 . 1 1 41 41 ILE CB C 13 38.676 0.105 . 1 . . . . 41 H CB . 7165 1 507 . 1 1 41 41 ILE CG1 C 13 27.882 0.100 . 1 . . . . 41 H CG1 . 7165 1 508 . 1 1 41 41 ILE CG2 C 13 18.678 0.100 . 1 . . . . 41 H CG2 . 7165 1 509 . 1 1 41 41 ILE CD1 C 13 14.941 0.100 . 1 . . . . 41 H CD1 . 7165 1 510 . 1 1 41 41 ILE N N 15 123.134 0.067 . 1 . . . . 41 H N . 7165 1 511 . 1 1 42 42 VAL H H 1 8.652 0.005 . 1 . . . . 42 V HN . 7165 1 512 . 1 1 42 42 VAL HA H 1 3.514 0.008 . 1 . . . . 42 V HA . 7165 1 513 . 1 1 42 42 VAL HB H 1 2.204 0.006 . 1 . . . . 42 V HB . 7165 1 514 . 1 1 42 42 VAL HG11 H 1 1.178 0.003 . 1 . . . . 42 V HG1# . 7165 1 515 . 1 1 42 42 VAL HG12 H 1 1.178 0.003 . 1 . . . . 42 V HG1# . 7165 1 516 . 1 1 42 42 VAL HG13 H 1 1.178 0.003 . 1 . . . . 42 V HG1# . 7165 1 517 . 1 1 42 42 VAL HG21 H 1 0.967 0.004 . 1 . . . . 42 V HG2# . 7165 1 518 . 1 1 42 42 VAL HG22 H 1 0.967 0.004 . 1 . . . . 42 V HG2# . 7165 1 519 . 1 1 42 42 VAL HG23 H 1 0.967 0.004 . 1 . . . . 42 V HG2# . 7165 1 520 . 1 1 42 42 VAL C C 13 177.740 0.014 . 1 . . . . 42 V CO . 7165 1 521 . 1 1 42 42 VAL CA C 13 66.357 0.059 . 1 . . . . 42 V CA . 7165 1 522 . 1 1 42 42 VAL CB C 13 32.054 0.092 . 1 . . . . 42 V CB . 7165 1 523 . 1 1 42 42 VAL CG1 C 13 23.797 0.100 . 1 . . . . 42 V CG1 . 7165 1 524 . 1 1 42 42 VAL CG2 C 13 22.026 0.100 . 1 . . . . 42 V CG2 . 7165 1 525 . 1 1 42 42 VAL N N 15 118.100 0.042 . 1 . . . . 42 V N . 7165 1 526 . 1 1 43 43 SER H H 1 8.044 0.004 . 1 . . . . 43 S HN . 7165 1 527 . 1 1 43 43 SER HA H 1 4.284 0.004 . 1 . . . . 43 S HA . 7165 1 528 . 1 1 43 43 SER HB2 H 1 3.944 0.011 . 1 . . . . 43 S HB2 . 7165 1 529 . 1 1 43 43 SER HB3 H 1 3.944 0.011 . 1 . . . . 43 S HB3 . 7165 1 530 . 1 1 43 43 SER C C 13 176.235 0.033 . 1 . . . . 43 S CO . 7165 1 531 . 1 1 43 43 SER CA C 13 60.838 0.052 . 1 . . . . 43 S CA . 7165 1 532 . 1 1 43 43 SER CB C 13 64.093 0.198 . 1 . . . . 43 S CB . 7165 1 533 . 1 1 43 43 SER N N 15 111.310 0.057 . 1 . . . . 43 S N . 7165 1 534 . 1 1 44 44 THR H H 1 7.719 0.005 . 1 . . . . 44 T HN . 7165 1 535 . 1 1 44 44 THR HA H 1 4.640 0.001 . 1 . . . . 44 T HA . 7165 1 536 . 1 1 44 44 THR HB H 1 3.898 0.004 . 1 . . . . 44 T HB . 7165 1 537 . 1 1 44 44 THR HG21 H 1 0.998 0.006 . 1 . . . . 44 T HG2# . 7165 1 538 . 1 1 44 44 THR HG22 H 1 0.998 0.006 . 1 . . . . 44 T HG2# . 7165 1 539 . 1 1 44 44 THR HG23 H 1 0.998 0.006 . 1 . . . . 44 T HG2# . 7165 1 540 . 1 1 44 44 THR C C 13 176.014 0.024 . 1 . . . . 44 T CO . 7165 1 541 . 1 1 44 44 THR CA C 13 63.020 0.096 . 1 . . . . 44 T CA . 7165 1 542 . 1 1 44 44 THR CB C 13 71.299 0.129 . 1 . . . . 44 T CB . 7165 1 543 . 1 1 44 44 THR CG2 C 13 21.132 0.100 . 1 . . . . 44 T CG . 7165 1 544 . 1 1 44 44 THR N N 15 108.632 0.066 . 1 . . . . 44 T N . 7165 1 545 . 1 1 45 45 MET H H 1 7.970 0.006 . 1 . . . . 45 M HN . 7165 1 546 . 1 1 45 45 MET HA H 1 4.545 0.001 . 1 . . . . 45 M HA . 7165 1 547 . 1 1 45 45 MET HB2 H 1 2.390 0.010 . 1 . . . . 45 M HB2 . 7165 1 548 . 1 1 45 45 MET HB3 H 1 2.216 0.015 . 1 . . . . 45 M HB3 . 7165 1 549 . 1 1 45 45 MET HG2 H 1 2.477 0.010 . 1 . . . . 45 M HG2 . 7165 1 550 . 1 1 45 45 MET HG3 H 1 2.420 0.010 . 1 . . . . 45 M HG3 . 7165 1 551 . 1 1 45 45 MET C C 13 175.233 0.007 . 1 . . . . 45 M CO . 7165 1 552 . 1 1 45 45 MET CA C 13 57.021 0.052 . 1 . . . . 45 M CA . 7165 1 553 . 1 1 45 45 MET CB C 13 34.888 0.048 . 1 . . . . 45 M CB . 7165 1 554 . 1 1 45 45 MET CG C 13 31.343 0.100 . 1 . . . . 45 M CG . 7165 1 555 . 1 1 45 45 MET N N 15 118.604 0.051 . 1 . . . . 45 M N . 7165 1 556 . 1 1 46 46 ILE H H 1 7.224 0.006 . 1 . . . . 46 I HN . 7165 1 557 . 1 1 46 46 ILE HA H 1 3.873 0.003 . 1 . . . . 46 I HA . 7165 1 558 . 1 1 46 46 ILE HB H 1 1.698 0.004 . 1 . . . . 46 I HB . 7165 1 559 . 1 1 46 46 ILE HG12 H 1 1.484 0.003 . 1 . . . . 46 I HG12 . 7165 1 560 . 1 1 46 46 ILE HG13 H 1 0.279 0.003 . 1 . . . . 46 I HG13 . 7165 1 561 . 1 1 46 46 ILE HG21 H 1 0.596 0.009 . 1 . . . . 46 I HG2# . 7165 1 562 . 1 1 46 46 ILE HG22 H 1 0.596 0.009 . 1 . . . . 46 I HG2# . 7165 1 563 . 1 1 46 46 ILE HG23 H 1 0.596 0.009 . 1 . . . . 46 I HG2# . 7165 1 564 . 1 1 46 46 ILE HD11 H 1 0.625 0.001 . 1 . . . . 46 I HD1# . 7165 1 565 . 1 1 46 46 ILE HD12 H 1 0.625 0.001 . 1 . . . . 46 I HD1# . 7165 1 566 . 1 1 46 46 ILE HD13 H 1 0.625 0.001 . 1 . . . . 46 I HD1# . 7165 1 567 . 1 1 46 46 ILE C C 13 175.718 0.002 . 1 . . . . 46 I CO . 7165 1 568 . 1 1 46 46 ILE CA C 13 61.537 0.031 . 1 . . . . 46 I CA . 7165 1 569 . 1 1 46 46 ILE CB C 13 37.186 0.092 . 1 . . . . 46 I CB . 7165 1 570 . 1 1 46 46 ILE CG1 C 13 27.946 0.100 . 1 . . . . 46 I CG1 . 7165 1 571 . 1 1 46 46 ILE CG2 C 13 18.651 0.100 . 1 . . . . 46 I CG2 . 7165 1 572 . 1 1 46 46 ILE CD1 C 13 14.126 0.100 . 1 . . . . 46 I CD1 . 7165 1 573 . 1 1 46 46 ILE N N 15 119.482 0.062 . 1 . . . . 46 I N . 7165 1 574 . 1 1 47 47 ASN H H 1 8.465 0.005 . 1 . . . . 47 N HN . 7165 1 575 . 1 1 47 47 ASN HA H 1 4.367 0.008 . 1 . . . . 47 N HA . 7165 1 576 . 1 1 47 47 ASN HB2 H 1 2.671 0.004 . 1 . . . . 47 N HB2 . 7165 1 577 . 1 1 47 47 ASN HB3 H 1 2.671 0.004 . 1 . . . . 47 N HB3 . 7165 1 578 . 1 1 47 47 ASN HD21 H 1 7.517 0.007 . 1 . . . . 47 N HD21 . 7165 1 579 . 1 1 47 47 ASN HD22 H 1 6.801 0.001 . 1 . . . . 47 N HD22 . 7165 1 580 . 1 1 47 47 ASN C C 13 174.669 0.100 . 1 . . . . 47 N CO . 7165 1 581 . 1 1 47 47 ASN CA C 13 55.644 0.043 . 1 . . . . 47 N CA . 7165 1 582 . 1 1 47 47 ASN CB C 13 39.349 0.082 . 1 . . . . 47 N CB . 7165 1 583 . 1 1 47 47 ASN N N 15 125.831 0.060 . 1 . . . . 47 N N . 7165 1 584 . 1 1 47 47 ASN ND2 N 15 112.279 0.002 . 1 . . . . 47 N ND2 . 7165 1 585 . 1 1 48 48 ASN H H 1 7.909 0.005 . 1 . . . . 48 N HN . 7165 1 586 . 1 1 48 48 ASN HA H 1 5.086 0.008 . 1 . . . . 48 N HA . 7165 1 587 . 1 1 48 48 ASN HB2 H 1 3.036 0.005 . 1 . . . . 48 N HB2 . 7165 1 588 . 1 1 48 48 ASN HB3 H 1 2.611 0.008 . 1 . . . . 48 N HB3 . 7165 1 589 . 1 1 48 48 ASN HD21 H 1 7.497 0.004 . 1 . . . . 48 N HD21 . 7165 1 590 . 1 1 48 48 ASN HD22 H 1 7.002 0.001 . 1 . . . . 48 N HD22 . 7165 1 591 . 1 1 48 48 ASN C C 13 174.160 0.100 . 1 . . . . 48 N CO . 7165 1 592 . 1 1 48 48 ASN CA C 13 49.442 0.055 . 1 . . . . 48 N CA . 7165 1 593 . 1 1 48 48 ASN CB C 13 39.106 0.006 . 1 . . . . 48 N CB . 7165 1 594 . 1 1 48 48 ASN N N 15 117.704 0.038 . 1 . . . . 48 N N . 7165 1 595 . 1 1 48 48 ASN ND2 N 15 113.005 0.044 . 1 . . . . 48 N ND2 . 7165 1 596 . 1 1 49 49 PRO HA H 1 4.262 0.008 . 1 . . . . 49 P HA . 7165 1 597 . 1 1 49 49 PRO HB2 H 1 2.354 0.007 . 1 . . . . 49 P HB2 . 7165 1 598 . 1 1 49 49 PRO HB3 H 1 1.932 0.010 . 1 . . . . 49 P HB3 . 7165 1 599 . 1 1 49 49 PRO HG2 H 1 1.995 0.010 . 1 . . . . 49 P HG2 . 7165 1 600 . 1 1 49 49 PRO HG3 H 1 1.995 0.010 . 1 . . . . 49 P HG3 . 7165 1 601 . 1 1 49 49 PRO HD2 H 1 3.910 0.010 . 1 . . . . 49 P HD2 . 7165 1 602 . 1 1 49 49 PRO HD3 H 1 3.875 0.010 . 1 . . . . 49 P HD3 . 7165 1 603 . 1 1 49 49 PRO C C 13 179.059 0.003 . 1 . . . . 49 P CO . 7165 1 604 . 1 1 49 49 PRO CA C 13 64.712 0.034 . 1 . . . . 49 P CA . 7165 1 605 . 1 1 49 49 PRO CB C 13 32.138 0.054 . 1 . . . . 49 P CB . 7165 1 606 . 1 1 49 49 PRO CG C 13 27.234 0.100 . 1 . . . . 49 P CG . 7165 1 607 . 1 1 49 49 PRO CD C 13 51.165 0.100 . 1 . . . . 49 P CD . 7165 1 608 . 1 1 50 50 ASN H H 1 8.195 0.005 . 1 . . . . 50 N HN . 7165 1 609 . 1 1 50 50 ASN HA H 1 4.455 0.005 . 1 . . . . 50 N HA . 7165 1 610 . 1 1 50 50 ASN HB2 H 1 2.759 0.007 . 1 . . . . 50 N HB2 . 7165 1 611 . 1 1 50 50 ASN HB3 H 1 2.578 0.006 . 1 . . . . 50 N HB3 . 7165 1 612 . 1 1 50 50 ASN HD21 H 1 7.675 0.010 . 1 . . . . 50 N HD21 . 7165 1 613 . 1 1 50 50 ASN HD22 H 1 6.950 0.010 . 1 . . . . 50 N HD22 . 7165 1 614 . 1 1 50 50 ASN C C 13 176.229 0.007 . 1 . . . . 50 N CO . 7165 1 615 . 1 1 50 50 ASN CA C 13 55.265 0.104 . 1 . . . . 50 N CA . 7165 1 616 . 1 1 50 50 ASN CB C 13 38.093 0.094 . 1 . . . . 50 N CB . 7165 1 617 . 1 1 50 50 ASN N N 15 115.499 0.053 . 1 . . . . 50 N N . 7165 1 618 . 1 1 50 50 ASN ND2 N 15 113.585 0.026 . 1 . . . . 50 N ND2 . 7165 1 619 . 1 1 51 51 ASP H H 1 8.118 0.004 . 1 . . . . 51 D HN . 7165 1 620 . 1 1 51 51 ASP HA H 1 4.548 0.008 . 1 . . . . 51 D HA . 7165 1 621 . 1 1 51 51 ASP HB2 H 1 2.729 0.002 . 1 . . . . 51 D HB2 . 7165 1 622 . 1 1 51 51 ASP HB3 H 1 2.526 0.010 . 1 . . . . 51 D HB3 . 7165 1 623 . 1 1 51 51 ASP C C 13 177.533 0.060 . 1 . . . . 51 D CO . 7165 1 624 . 1 1 51 51 ASP CA C 13 55.367 0.052 . 1 . . . . 51 D CA . 7165 1 625 . 1 1 51 51 ASP CB C 13 41.005 0.087 . 1 . . . . 51 D CB . 7165 1 626 . 1 1 51 51 ASP N N 15 118.400 0.051 . 1 . . . . 51 D N . 7165 1 627 . 1 1 52 52 VAL H H 1 7.216 0.004 . 1 . . . . 52 V HN . 7165 1 628 . 1 1 52 52 VAL HA H 1 3.475 0.004 . 1 . . . . 52 V HA . 7165 1 629 . 1 1 52 52 VAL HB H 1 2.104 0.008 . 1 . . . . 52 V HB . 7165 1 630 . 1 1 52 52 VAL HG11 H 1 1.083 0.001 . 1 . . . . 52 V HG1# . 7165 1 631 . 1 1 52 52 VAL HG12 H 1 1.083 0.001 . 1 . . . . 52 V HG1# . 7165 1 632 . 1 1 52 52 VAL HG13 H 1 1.083 0.001 . 1 . . . . 52 V HG1# . 7165 1 633 . 1 1 52 52 VAL HG21 H 1 0.964 0.002 . 1 . . . . 52 V HG2# . 7165 1 634 . 1 1 52 52 VAL HG22 H 1 0.964 0.002 . 1 . . . . 52 V HG2# . 7165 1 635 . 1 1 52 52 VAL HG23 H 1 0.964 0.002 . 1 . . . . 52 V HG2# . 7165 1 636 . 1 1 52 52 VAL C C 13 177.458 0.008 . 1 . . . . 52 V CO . 7165 1 637 . 1 1 52 52 VAL CA C 13 67.422 0.048 . 1 . . . . 52 V CA . 7165 1 638 . 1 1 52 52 VAL CB C 13 31.690 0.064 . 1 . . . . 52 V CB . 7165 1 639 . 1 1 52 52 VAL CG1 C 13 23.516 0.100 . 1 . . . . 52 V CG1 . 7165 1 640 . 1 1 52 52 VAL CG2 C 13 21.620 0.100 . 1 . . . . 52 V CG2 . 7165 1 641 . 1 1 52 52 VAL N N 15 120.361 0.070 . 1 . . . . 52 V N . 7165 1 642 . 1 1 53 53 SER H H 1 7.701 0.007 . 1 . . . . 53 S HN . 7165 1 643 . 1 1 53 53 SER HA H 1 4.680 0.010 . 1 . . . . 53 S HA . 7165 1 644 . 1 1 53 53 SER HB2 H 1 3.986 0.012 . 1 . . . . 53 S HB2 . 7165 1 645 . 1 1 53 53 SER HB3 H 1 3.904 0.008 . 1 . . . . 53 S HB3 . 7165 1 646 . 1 1 53 53 SER C C 13 175.103 0.100 . 1 . . . . 53 S CO . 7165 1 647 . 1 1 53 53 SER CA C 13 59.815 0.050 . 1 . . . . 53 S CA . 7165 1 648 . 1 1 53 53 SER CB C 13 63.103 0.100 . 1 . . . . 53 S CB . 7165 1 649 . 1 1 53 53 SER N N 15 111.026 0.045 . 1 . . . . 53 S N . 7165 1 650 . 1 1 54 54 ILE H H 1 7.501 0.006 . 1 . . . . 54 I HN . 7165 1 651 . 1 1 54 54 ILE HA H 1 3.765 0.005 . 1 . . . . 54 I HA . 7165 1 652 . 1 1 54 54 ILE HB H 1 2.065 0.004 . 1 . . . . 54 I HB . 7165 1 653 . 1 1 54 54 ILE HG12 H 1 1.521 0.003 . 1 . . . . 54 I HG12 . 7165 1 654 . 1 1 54 54 ILE HG13 H 1 1.172 0.005 . 1 . . . . 54 I HG13 . 7165 1 655 . 1 1 54 54 ILE HG21 H 1 0.807 0.009 . 1 . . . . 54 I HG2# . 7165 1 656 . 1 1 54 54 ILE HG22 H 1 0.807 0.009 . 1 . . . . 54 I HG2# . 7165 1 657 . 1 1 54 54 ILE HG23 H 1 0.807 0.009 . 1 . . . . 54 I HG2# . 7165 1 658 . 1 1 54 54 ILE HD11 H 1 0.788 0.001 . 1 . . . . 54 I HD1# . 7165 1 659 . 1 1 54 54 ILE HD12 H 1 0.788 0.001 . 1 . . . . 54 I HD1# . 7165 1 660 . 1 1 54 54 ILE HD13 H 1 0.788 0.001 . 1 . . . . 54 I HD1# . 7165 1 661 . 1 1 54 54 ILE C C 13 174.518 0.017 . 1 . . . . 54 I CO . 7165 1 662 . 1 1 54 54 ILE CA C 13 63.062 0.051 . 1 . . . . 54 I CA . 7165 1 663 . 1 1 54 54 ILE CB C 13 37.043 0.093 . 1 . . . . 54 I CB . 7165 1 664 . 1 1 54 54 ILE CG1 C 13 28.972 0.100 . 1 . . . . 54 I CG1 . 7165 1 665 . 1 1 54 54 ILE CG2 C 13 17.618 0.100 . 1 . . . . 54 I CG2 . 7165 1 666 . 1 1 54 54 ILE CD1 C 13 12.451 0.100 . 1 . . . . 54 I CD1 . 7165 1 667 . 1 1 54 54 ILE N N 15 121.949 0.041 . 1 . . . . 54 I N . 7165 1 668 . 1 1 55 55 PHE H H 1 7.303 0.006 . 1 . . . . 55 F HN . 7165 1 669 . 1 1 55 55 PHE HA H 1 4.664 0.003 . 1 . . . . 55 F HA . 7165 1 670 . 1 1 55 55 PHE HB2 H 1 2.868 0.004 . 1 . . . . 55 F HB2 . 7165 1 671 . 1 1 55 55 PHE HB3 H 1 2.774 0.006 . 1 . . . . 55 F HB3 . 7165 1 672 . 1 1 55 55 PHE HD1 H 1 6.979 0.010 . 1 . . . . 55 F HD2 . 7165 1 673 . 1 1 55 55 PHE HD2 H 1 6.979 0.010 . 1 . . . . 55 F HD3 . 7165 1 674 . 1 1 55 55 PHE C C 13 174.031 0.002 . 1 . . . . 55 F CO . 7165 1 675 . 1 1 55 55 PHE CA C 13 58.022 0.099 . 1 . . . . 55 F CA . 7165 1 676 . 1 1 55 55 PHE CB C 13 43.507 0.061 . 1 . . . . 55 F CB . 7165 1 677 . 1 1 55 55 PHE N N 15 118.624 0.055 . 1 . . . . 55 F N . 7165 1 678 . 1 1 56 56 ILE H H 1 8.149 0.006 . 1 . . . . 56 I HN . 7165 1 679 . 1 1 56 56 ILE HA H 1 4.636 0.002 . 1 . . . . 56 I HA . 7165 1 680 . 1 1 56 56 ILE HB H 1 1.666 0.006 . 1 . . . . 56 I HB . 7165 1 681 . 1 1 56 56 ILE HG12 H 1 1.248 0.002 . 1 . . . . 56 I HG12 . 7165 1 682 . 1 1 56 56 ILE HG13 H 1 1.248 0.002 . 1 . . . . 56 I HG13 . 7165 1 683 . 1 1 56 56 ILE HG21 H 1 0.640 0.003 . 1 . . . . 56 I HG2# . 7165 1 684 . 1 1 56 56 ILE HG22 H 1 0.640 0.003 . 1 . . . . 56 I HG2# . 7165 1 685 . 1 1 56 56 ILE HG23 H 1 0.640 0.003 . 1 . . . . 56 I HG2# . 7165 1 686 . 1 1 56 56 ILE HD11 H 1 0.388 0.004 . 1 . . . . 56 I HD1# . 7165 1 687 . 1 1 56 56 ILE HD12 H 1 0.388 0.004 . 1 . . . . 56 I HD1# . 7165 1 688 . 1 1 56 56 ILE HD13 H 1 0.388 0.004 . 1 . . . . 56 I HD1# . 7165 1 689 . 1 1 56 56 ILE C C 13 175.721 0.002 . 1 . . . . 56 I CO . 7165 1 690 . 1 1 56 56 ILE CA C 13 57.387 0.050 . 1 . . . . 56 I CA . 7165 1 691 . 1 1 56 56 ILE CB C 13 40.270 0.123 . 1 . . . . 56 I CB . 7165 1 692 . 1 1 56 56 ILE CG1 C 13 26.943 0.100 . 1 . . . . 56 I CG1 . 7165 1 693 . 1 1 56 56 ILE N N 15 114.609 0.040 . 1 . . . . 56 I N . 7165 1 694 . 1 1 57 57 GLU H H 1 8.525 0.006 . 1 . . . . 57 E HN . 7165 1 695 . 1 1 57 57 GLU HA H 1 4.360 0.004 . 1 . . . . 57 E HA . 7165 1 696 . 1 1 57 57 GLU HB2 H 1 1.843 0.010 . 1 . . . . 57 E HB2 . 7165 1 697 . 1 1 57 57 GLU HB3 H 1 1.799 0.010 . 1 . . . . 57 E HB3 . 7165 1 698 . 1 1 57 57 GLU HG2 H 1 2.137 0.005 . 1 . . . . 57 E HG2 . 7165 1 699 . 1 1 57 57 GLU HG3 H 1 2.030 0.007 . 1 . . . . 57 E HG3 . 7165 1 700 . 1 1 57 57 GLU C C 13 175.283 0.008 . 1 . . . . 57 E CO . 7165 1 701 . 1 1 57 57 GLU CA C 13 55.764 0.028 . 1 . . . . 57 E CA . 7165 1 702 . 1 1 57 57 GLU CB C 13 33.720 0.006 . 1 . . . . 57 E CB . 7165 1 703 . 1 1 57 57 GLU CG C 13 36.670 0.100 . 1 . . . . 57 E CG . 7165 1 704 . 1 1 57 57 GLU N N 15 124.071 0.049 . 1 . . . . 57 E N . 7165 1 705 . 1 1 58 58 ASP H H 1 9.336 0.005 . 1 . . . . 58 D HN . 7165 1 706 . 1 1 58 58 ASP HA H 1 4.128 0.003 . 1 . . . . 58 D HA . 7165 1 707 . 1 1 58 58 ASP HB2 H 1 2.846 0.009 . 1 . . . . 58 D HB2 . 7165 1 708 . 1 1 58 58 ASP HB3 H 1 2.640 0.005 . 1 . . . . 58 D HB3 . 7165 1 709 . 1 1 58 58 ASP C C 13 174.630 0.029 . 1 . . . . 58 D CO . 7165 1 710 . 1 1 58 58 ASP CA C 13 56.279 0.065 . 1 . . . . 58 D CA . 7165 1 711 . 1 1 58 58 ASP CB C 13 39.072 0.039 . 1 . . . . 58 D CB . 7165 1 712 . 1 1 58 58 ASP N N 15 128.116 0.059 . 1 . . . . 58 D N . 7165 1 713 . 1 1 59 59 ASP H H 1 8.358 0.004 . 1 . . . . 59 D HN . 7165 1 714 . 1 1 59 59 ASP HA H 1 4.307 0.003 . 1 . . . . 59 D HA . 7165 1 715 . 1 1 59 59 ASP HB2 H 1 2.821 0.007 . 1 . . . . 59 D HB2 . 7165 1 716 . 1 1 59 59 ASP HB3 H 1 2.720 0.007 . 1 . . . . 59 D HB3 . 7165 1 717 . 1 1 59 59 ASP C C 13 174.972 0.100 . 1 . . . . 59 D CO . 7165 1 718 . 1 1 59 59 ASP CA C 13 55.207 0.082 . 1 . . . . 59 D CA . 7165 1 719 . 1 1 59 59 ASP CB C 13 40.745 0.101 . 1 . . . . 59 D CB . 7165 1 720 . 1 1 59 59 ASP N N 15 114.295 0.061 . 1 . . . . 59 D N . 7165 1 721 . 1 1 60 60 SER H H 1 7.727 0.005 . 1 . . . . 60 S HN . 7165 1 722 . 1 1 60 60 SER HA H 1 4.604 0.008 . 1 . . . . 60 S HA . 7165 1 723 . 1 1 60 60 SER HB2 H 1 3.881 0.009 . 1 . . . . 60 S HB2 . 7165 1 724 . 1 1 60 60 SER HB3 H 1 3.740 0.008 . 1 . . . . 60 S HB3 . 7165 1 725 . 1 1 60 60 SER C C 13 173.008 0.026 . 1 . . . . 60 S CO . 7165 1 726 . 1 1 60 60 SER CA C 13 55.977 0.023 . 1 . . . . 60 S CA . 7165 1 727 . 1 1 60 60 SER CB C 13 64.737 0.123 . 1 . . . . 60 S CB . 7165 1 728 . 1 1 60 60 SER N N 15 113.433 0.053 . 1 . . . . 60 S N . 7165 1 729 . 1 1 61 61 ILE H H 1 8.095 0.009 . 1 . . . . 61 I HN . 7165 1 730 . 1 1 61 61 ILE HA H 1 3.821 0.009 . 1 . . . . 61 I HA . 7165 1 731 . 1 1 61 61 ILE HB H 1 1.798 0.006 . 1 . . . . 61 I HB . 7165 1 732 . 1 1 61 61 ILE HG12 H 1 1.240 0.006 . 1 . . . . 61 I HG12 . 7165 1 733 . 1 1 61 61 ILE HG13 H 1 1.146 0.007 . 1 . . . . 61 I HG13 . 7165 1 734 . 1 1 61 61 ILE HG21 H 1 0.711 0.004 . 1 . . . . 61 I HG2# . 7165 1 735 . 1 1 61 61 ILE HG22 H 1 0.711 0.004 . 1 . . . . 61 I HG2# . 7165 1 736 . 1 1 61 61 ILE HG23 H 1 0.711 0.004 . 1 . . . . 61 I HG2# . 7165 1 737 . 1 1 61 61 ILE HD11 H 1 -0.036 0.010 . 1 . . . . 61 I HD1# . 7165 1 738 . 1 1 61 61 ILE HD12 H 1 -0.036 0.010 . 1 . . . . 61 I HD1# . 7165 1 739 . 1 1 61 61 ILE HD13 H 1 -0.036 0.010 . 1 . . . . 61 I HD1# . 7165 1 740 . 1 1 61 61 ILE C C 13 177.481 0.010 . 1 . . . . 61 I CO . 7165 1 741 . 1 1 61 61 ILE CA C 13 59.591 0.019 . 1 . . . . 61 I CA . 7165 1 742 . 1 1 61 61 ILE CB C 13 36.082 0.059 . 1 . . . . 61 I CB . 7165 1 743 . 1 1 61 61 ILE CG1 C 13 26.963 0.100 . 1 . . . . 61 I CG1 . 7165 1 744 . 1 1 61 61 ILE CG2 C 13 18.230 0.100 . 1 . . . . 61 I CG2 . 7165 1 745 . 1 1 61 61 ILE N N 15 121.433 0.048 . 1 . . . . 61 I N . 7165 1 746 . 1 1 62 62 ARG H H 1 8.185 0.007 . 1 . . . . 62 R HN . 7165 1 747 . 1 1 62 62 ARG HA H 1 4.123 0.010 . 1 . . . . 62 R HA . 7165 1 748 . 1 1 62 62 ARG HB2 H 1 1.598 0.003 . 1 . . . . 62 R HB2 . 7165 1 749 . 1 1 62 62 ARG HB3 H 1 1.278 0.003 . 1 . . . . 62 R HB3 . 7165 1 750 . 1 1 62 62 ARG HG2 H 1 1.699 0.001 . 1 . . . . 62 R HG2 . 7165 1 751 . 1 1 62 62 ARG HG3 H 1 1.507 0.006 . 1 . . . . 62 R HG3 . 7165 1 752 . 1 1 62 62 ARG HD2 H 1 3.123 0.010 . 1 . . . . 62 R HD2 . 7165 1 753 . 1 1 62 62 ARG HD3 H 1 3.123 0.010 . 1 . . . . 62 R HD3 . 7165 1 754 . 1 1 62 62 ARG C C 13 173.086 0.100 . 1 . . . . 62 R CO . 7165 1 755 . 1 1 62 62 ARG CA C 13 55.333 0.100 . 1 . . . . 62 R CA . 7165 1 756 . 1 1 62 62 ARG CB C 13 30.483 0.100 . 1 . . . . 62 R CB . 7165 1 757 . 1 1 62 62 ARG N N 15 131.065 0.083 . 1 . . . . 62 R N . 7165 1 758 . 1 1 63 63 PRO HA H 1 4.403 0.002 . 1 . . . . 63 P HA . 7165 1 759 . 1 1 63 63 PRO HB2 H 1 2.311 0.006 . 1 . . . . 63 P HB2 . 7165 1 760 . 1 1 63 63 PRO HB3 H 1 1.811 0.005 . 1 . . . . 63 P HB3 . 7165 1 761 . 1 1 63 63 PRO HG2 H 1 2.113 0.007 . 1 . . . . 63 P HG2 . 7165 1 762 . 1 1 63 63 PRO HG3 H 1 2.015 0.007 . 1 . . . . 63 P HG3 . 7165 1 763 . 1 1 63 63 PRO HD2 H 1 3.995 0.010 . 1 . . . . 63 P HD2 . 7165 1 764 . 1 1 63 63 PRO HD3 H 1 3.557 0.010 . 1 . . . . 63 P HD3 . 7165 1 765 . 1 1 63 63 PRO C C 13 177.107 0.006 . 1 . . . . 63 P CO . 7165 1 766 . 1 1 63 63 PRO CA C 13 64.121 0.028 . 1 . . . . 63 P CA . 7165 1 767 . 1 1 63 63 PRO CB C 13 31.677 0.117 . 1 . . . . 63 P CB . 7165 1 768 . 1 1 63 63 PRO CG C 13 27.885 0.100 . 1 . . . . 63 P CG . 7165 1 769 . 1 1 63 63 PRO CD C 13 51.598 0.100 . 1 . . . . 63 P CD . 7165 1 770 . 1 1 64 64 GLY H H 1 8.707 0.005 . 1 . . . . 64 G HN . 7165 1 771 . 1 1 64 64 GLY HA2 H 1 4.397 0.003 . 1 . . . . 64 G HA2 . 7165 1 772 . 1 1 64 64 GLY HA3 H 1 3.500 0.002 . 1 . . . . 64 G HA3 . 7165 1 773 . 1 1 64 64 GLY C C 13 174.684 0.013 . 1 . . . . 64 G CO . 7165 1 774 . 1 1 64 64 GLY CA C 13 44.540 0.051 . 1 . . . . 64 G CA . 7165 1 775 . 1 1 64 64 GLY N N 15 112.567 0.059 . 1 . . . . 64 G N . 7165 1 776 . 1 1 65 65 ILE H H 1 7.986 0.005 . 1 . . . . 65 I HN . 7165 1 777 . 1 1 65 65 ILE HA H 1 4.803 0.005 . 1 . . . . 65 I HA . 7165 1 778 . 1 1 65 65 ILE HB H 1 2.049 0.005 . 1 . . . . 65 I HB . 7165 1 779 . 1 1 65 65 ILE HG12 H 1 1.718 0.015 . 1 . . . . 65 I HG12 . 7165 1 780 . 1 1 65 65 ILE HG13 H 1 0.898 0.007 . 1 . . . . 65 I HG13 . 7165 1 781 . 1 1 65 65 ILE HG21 H 1 0.771 0.016 . 1 . . . . 65 I HG2# . 7165 1 782 . 1 1 65 65 ILE HG22 H 1 0.771 0.016 . 1 . . . . 65 I HG2# . 7165 1 783 . 1 1 65 65 ILE HG23 H 1 0.771 0.016 . 1 . . . . 65 I HG2# . 7165 1 784 . 1 1 65 65 ILE HD11 H 1 1.163 0.010 . 1 . . . . 65 I HD1# . 7165 1 785 . 1 1 65 65 ILE HD12 H 1 1.163 0.010 . 1 . . . . 65 I HD1# . 7165 1 786 . 1 1 65 65 ILE HD13 H 1 1.163 0.010 . 1 . . . . 65 I HD1# . 7165 1 787 . 1 1 65 65 ILE C C 13 175.834 0.011 . 1 . . . . 65 I CO . 7165 1 788 . 1 1 65 65 ILE CA C 13 60.784 0.015 . 1 . . . . 65 I CA . 7165 1 789 . 1 1 65 65 ILE CB C 13 37.399 0.081 . 1 . . . . 65 I CB . 7165 1 790 . 1 1 65 65 ILE CG1 C 13 28.476 0.100 . 1 . . . . 65 I CG1 . 7165 1 791 . 1 1 65 65 ILE CG2 C 13 18.247 0.100 . 1 . . . . 65 I CG2 . 7165 1 792 . 1 1 65 65 ILE CD1 C 13 14.738 0.100 . 1 . . . . 65 I CD1 . 7165 1 793 . 1 1 65 65 ILE N N 15 122.931 0.060 . 1 . . . . 65 I N . 7165 1 794 . 1 1 66 66 ILE H H 1 9.016 0.006 . 1 . . . . 66 I HN . 7165 1 795 . 1 1 66 66 ILE HA H 1 4.285 0.003 . 1 . . . . 66 I HA . 7165 1 796 . 1 1 66 66 ILE HB H 1 1.714 0.006 . 1 . . . . 66 I HB . 7165 1 797 . 1 1 66 66 ILE HG12 H 1 1.514 0.004 . 1 . . . . 66 I HG12 . 7165 1 798 . 1 1 66 66 ILE HG13 H 1 1.195 0.007 . 1 . . . . 66 I HG13 . 7165 1 799 . 1 1 66 66 ILE HG21 H 1 0.814 0.008 . 1 . . . . 66 I HG2# . 7165 1 800 . 1 1 66 66 ILE HG22 H 1 0.814 0.008 . 1 . . . . 66 I HG2# . 7165 1 801 . 1 1 66 66 ILE HG23 H 1 0.814 0.008 . 1 . . . . 66 I HG2# . 7165 1 802 . 1 1 66 66 ILE HD11 H 1 0.800 0.002 . 1 . . . . 66 I HD1# . 7165 1 803 . 1 1 66 66 ILE HD12 H 1 0.800 0.002 . 1 . . . . 66 I HD1# . 7165 1 804 . 1 1 66 66 ILE HD13 H 1 0.800 0.002 . 1 . . . . 66 I HD1# . 7165 1 805 . 1 1 66 66 ILE C C 13 176.093 0.042 . 1 . . . . 66 I CO . 7165 1 806 . 1 1 66 66 ILE CA C 13 60.232 0.115 . 1 . . . . 66 I CA . 7165 1 807 . 1 1 66 66 ILE CB C 13 39.383 0.085 . 1 . . . . 66 I CB . 7165 1 808 . 1 1 66 66 ILE CG1 C 13 27.292 0.181 . 1 . . . . 66 I CG1 . 7165 1 809 . 1 1 66 66 ILE CG2 C 13 17.529 0.100 . 1 . . . . 66 I CG2 . 7165 1 810 . 1 1 66 66 ILE CD1 C 13 12.848 0.100 . 1 . . . . 66 I CD1 . 7165 1 811 . 1 1 66 66 ILE N N 15 130.976 0.070 . 1 . . . . 66 I N . 7165 1 812 . 1 1 67 67 THR H H 1 8.329 0.008 . 1 . . . . 67 T HN . 7165 1 813 . 1 1 67 67 THR HA H 1 4.708 0.008 . 1 . . . . 67 T HA . 7165 1 814 . 1 1 67 67 THR HB H 1 1.843 0.005 . 1 . . . . 67 T HB . 7165 1 815 . 1 1 67 67 THR HG21 H 1 -0.131 0.002 . 1 . . . . 67 T HG2# . 7165 1 816 . 1 1 67 67 THR HG22 H 1 -0.131 0.002 . 1 . . . . 67 T HG2# . 7165 1 817 . 1 1 67 67 THR HG23 H 1 -0.131 0.002 . 1 . . . . 67 T HG2# . 7165 1 818 . 1 1 67 67 THR C C 13 173.641 0.031 . 1 . . . . 67 T CO . 7165 1 819 . 1 1 67 67 THR CA C 13 62.619 0.065 . 1 . . . . 67 T CA . 7165 1 820 . 1 1 67 67 THR CB C 13 68.083 0.010 . 1 . . . . 67 T CB . 7165 1 821 . 1 1 67 67 THR CG2 C 13 21.298 0.100 . 1 . . . . 67 T CG . 7165 1 822 . 1 1 67 67 THR N N 15 128.996 0.089 . 1 . . . . 67 T N . 7165 1 823 . 1 1 68 68 LEU H H 1 8.671 0.006 . 1 . . . . 68 L HN . 7165 1 824 . 1 1 68 68 LEU HA H 1 4.890 0.011 . 1 . . . . 68 L HA . 7165 1 825 . 1 1 68 68 LEU HB2 H 1 1.707 0.009 . 1 . . . . 68 L HB2 . 7165 1 826 . 1 1 68 68 LEU HB3 H 1 0.708 0.012 . 1 . . . . 68 L HB3 . 7165 1 827 . 1 1 68 68 LEU HG H 1 1.381 0.010 . 1 . . . . 68 L HG . 7165 1 828 . 1 1 68 68 LEU HD11 H 1 1.389 0.010 . 1 . . . . 68 L HD1# . 7165 1 829 . 1 1 68 68 LEU HD12 H 1 1.389 0.010 . 1 . . . . 68 L HD1# . 7165 1 830 . 1 1 68 68 LEU HD13 H 1 1.389 0.010 . 1 . . . . 68 L HD1# . 7165 1 831 . 1 1 68 68 LEU HD21 H 1 0.580 0.008 . 1 . . . . 68 L HD2# . 7165 1 832 . 1 1 68 68 LEU HD22 H 1 0.580 0.008 . 1 . . . . 68 L HD2# . 7165 1 833 . 1 1 68 68 LEU HD23 H 1 0.580 0.008 . 1 . . . . 68 L HD2# . 7165 1 834 . 1 1 68 68 LEU C C 13 175.645 0.004 . 1 . . . . 68 L CO . 7165 1 835 . 1 1 68 68 LEU CA C 13 52.295 0.134 . 1 . . . . 68 L CA . 7165 1 836 . 1 1 68 68 LEU CB C 13 44.878 0.074 . 1 . . . . 68 L CB . 7165 1 837 . 1 1 68 68 LEU CD1 C 13 26.006 0.100 . 1 . . . . 68 L CD1 . 7165 1 838 . 1 1 68 68 LEU CD2 C 13 22.565 0.100 . 1 . . . . 68 L CD2 . 7165 1 839 . 1 1 68 68 LEU N N 15 125.731 0.051 . 1 . . . . 68 L N . 7165 1 840 . 1 1 69 69 ILE H H 1 8.963 0.007 . 1 . . . . 69 I HN . 7165 1 841 . 1 1 69 69 ILE HA H 1 4.202 0.002 . 1 . . . . 69 I HA . 7165 1 842 . 1 1 69 69 ILE HB H 1 1.159 0.006 . 1 . . . . 69 I HB . 7165 1 843 . 1 1 69 69 ILE HG12 H 1 1.306 0.001 . 1 . . . . 69 I HG12 . 7165 1 844 . 1 1 69 69 ILE HG13 H 1 0.120 0.003 . 1 . . . . 69 I HG13 . 7165 1 845 . 1 1 69 69 ILE HG21 H 1 0.047 0.005 . 1 . . . . 69 I HG2# . 7165 1 846 . 1 1 69 69 ILE HG22 H 1 0.047 0.005 . 1 . . . . 69 I HG2# . 7165 1 847 . 1 1 69 69 ILE HG23 H 1 0.047 0.005 . 1 . . . . 69 I HG2# . 7165 1 848 . 1 1 69 69 ILE HD11 H 1 0.651 0.008 . 1 . . . . 69 I HD1# . 7165 1 849 . 1 1 69 69 ILE HD12 H 1 0.651 0.008 . 1 . . . . 69 I HD1# . 7165 1 850 . 1 1 69 69 ILE HD13 H 1 0.651 0.008 . 1 . . . . 69 I HD1# . 7165 1 851 . 1 1 69 69 ILE C C 13 176.267 0.017 . 1 . . . . 69 I CO . 7165 1 852 . 1 1 69 69 ILE CA C 13 59.882 0.053 . 1 . . . . 69 I CA . 7165 1 853 . 1 1 69 69 ILE CB C 13 39.689 0.113 . 1 . . . . 69 I CB . 7165 1 854 . 1 1 69 69 ILE CG1 C 13 26.803 0.100 . 1 . . . . 69 I CG1 . 7165 1 855 . 1 1 69 69 ILE CD1 C 13 15.403 0.100 . 1 . . . . 69 I CD1 . 7165 1 856 . 1 1 69 69 ILE N N 15 120.419 0.057 . 1 . . . . 69 I N . 7165 1 857 . 1 1 70 70 ASN H H 1 9.781 0.011 . 1 . . . . 70 N HN . 7165 1 858 . 1 1 70 70 ASN HA H 1 4.224 0.004 . 1 . . . . 70 N HA . 7165 1 859 . 1 1 70 70 ASN HB2 H 1 2.834 0.001 . 1 . . . . 70 N HB2 . 7165 1 860 . 1 1 70 70 ASN HB3 H 1 2.740 0.001 . 1 . . . . 70 N HB3 . 7165 1 861 . 1 1 70 70 ASN HD21 H 1 7.669 0.002 . 1 . . . . 70 N HN21 . 7165 1 862 . 1 1 70 70 ASN HD22 H 1 7.394 0.008 . 1 . . . . 70 N HN22 . 7165 1 863 . 1 1 70 70 ASN C C 13 175.291 0.004 . 1 . . . . 70 N CO . 7165 1 864 . 1 1 70 70 ASN CA C 13 55.177 0.043 . 1 . . . . 70 N CA . 7165 1 865 . 1 1 70 70 ASN CB C 13 37.341 0.246 . 1 . . . . 70 N CB . 7165 1 866 . 1 1 70 70 ASN N N 15 128.517 0.078 . 1 . . . . 70 N N . 7165 1 867 . 1 1 70 70 ASN ND2 N 15 117.059 0.220 . 1 . . . . 70 N ND2 . 7165 1 868 . 1 1 71 71 ASP H H 1 8.765 0.006 . 1 . . . . 71 D HN . 7165 1 869 . 1 1 71 71 ASP HA H 1 4.099 0.004 . 1 . . . . 71 D HA . 7165 1 870 . 1 1 71 71 ASP HB2 H 1 2.889 0.013 . 1 . . . . 71 D HB2 . 7165 1 871 . 1 1 71 71 ASP HB3 H 1 2.763 0.005 . 1 . . . . 71 D HB3 . 7165 1 872 . 1 1 71 71 ASP C C 13 174.560 0.006 . 1 . . . . 71 D CO . 7165 1 873 . 1 1 71 71 ASP CA C 13 57.006 0.038 . 1 . . . . 71 D CA . 7165 1 874 . 1 1 71 71 ASP CB C 13 40.642 0.084 . 1 . . . . 71 D CB . 7165 1 875 . 1 1 71 71 ASP N N 15 109.994 0.061 . 1 . . . . 71 D N . 7165 1 876 . 1 1 72 72 THR H H 1 7.811 0.005 . 1 . . . . 72 T HN . 7165 1 877 . 1 1 72 72 THR HA H 1 4.405 0.003 . 1 . . . . 72 T HA . 7165 1 878 . 1 1 72 72 THR HB H 1 4.042 0.005 . 1 . . . . 72 T HB . 7165 1 879 . 1 1 72 72 THR HG21 H 1 1.324 0.008 . 1 . . . . 72 T HG2 . 7165 1 880 . 1 1 72 72 THR HG22 H 1 1.324 0.008 . 1 . . . . 72 T HG2 . 7165 1 881 . 1 1 72 72 THR HG23 H 1 1.324 0.008 . 1 . . . . 72 T HG2 . 7165 1 882 . 1 1 72 72 THR C C 13 173.103 0.027 . 1 . . . . 72 T CO . 7165 1 883 . 1 1 72 72 THR CA C 13 61.872 0.075 . 1 . . . . 72 T CA . 7165 1 884 . 1 1 72 72 THR CB C 13 70.760 0.101 . 1 . . . . 72 T CB . 7165 1 885 . 1 1 72 72 THR N N 15 117.287 0.051 . 1 . . . . 72 T N . 7165 1 886 . 1 1 73 73 ASP H H 1 8.796 0.005 . 1 . . . . 73 D HN . 7165 1 887 . 1 1 73 73 ASP HA H 1 4.452 0.010 . 1 . . . . 73 D HA . 7165 1 888 . 1 1 73 73 ASP HB2 H 1 2.835 0.005 . 1 . . . . 73 D HB2 . 7165 1 889 . 1 1 73 73 ASP HB3 H 1 2.699 0.004 . 1 . . . . 73 D HB3 . 7165 1 890 . 1 1 73 73 ASP C C 13 179.037 0.004 . 1 . . . . 73 D CO . 7165 1 891 . 1 1 73 73 ASP CA C 13 55.865 0.073 . 1 . . . . 73 D CA . 7165 1 892 . 1 1 73 73 ASP CB C 13 41.891 0.059 . 1 . . . . 73 D CB . 7165 1 893 . 1 1 73 73 ASP N N 15 128.132 0.061 . 1 . . . . 73 D N . 7165 1 894 . 1 1 74 74 TRP H H 1 8.648 0.010 . 1 . . . . 74 W HN . 7165 1 895 . 1 1 74 74 TRP HA H 1 4.207 0.003 . 1 . . . . 74 W HA . 7165 1 896 . 1 1 74 74 TRP HB2 H 1 3.452 0.007 . 1 . . . . 74 W HB2 . 7165 1 897 . 1 1 74 74 TRP HB3 H 1 2.759 0.004 . 1 . . . . 74 W HB3 . 7165 1 898 . 1 1 74 74 TRP HE1 H 1 10.426 0.001 . 1 . . . . 74 W HNE1 . 7165 1 899 . 1 1 74 74 TRP C C 13 177.752 0.015 . 1 . . . . 74 W CO . 7165 1 900 . 1 1 74 74 TRP CA C 13 59.465 0.030 . 1 . . . . 74 W CA . 7165 1 901 . 1 1 74 74 TRP CB C 13 27.713 0.038 . 1 . . . . 74 W CB . 7165 1 902 . 1 1 74 74 TRP N N 15 126.339 0.059 . 1 . . . . 74 W N . 7165 1 903 . 1 1 74 74 TRP NE1 N 15 131.161 0.062 . 1 . . . . 74 W NE1 . 7165 1 904 . 1 1 75 75 GLU H H 1 9.349 0.007 . 1 . . . . 75 E HN . 7165 1 905 . 1 1 75 75 GLU HA H 1 3.760 0.008 . 1 . . . . 75 E HA . 7165 1 906 . 1 1 75 75 GLU HB2 H 1 2.014 0.001 . 1 . . . . 75 E HB2 . 7165 1 907 . 1 1 75 75 GLU HB3 H 1 2.014 0.001 . 1 . . . . 75 E HB3 . 7165 1 908 . 1 1 75 75 GLU HG2 H 1 2.437 0.001 . 1 . . . . 75 E HG2 . 7165 1 909 . 1 1 75 75 GLU HG3 H 1 2.135 0.007 . 1 . . . . 75 E HG3 . 7165 1 910 . 1 1 75 75 GLU C C 13 179.334 0.100 . 1 . . . . 75 E CO . 7165 1 911 . 1 1 75 75 GLU CA C 13 59.537 0.023 . 1 . . . . 75 E CA . 7165 1 912 . 1 1 75 75 GLU CB C 13 29.275 0.047 . 1 . . . . 75 E CB . 7165 1 913 . 1 1 75 75 GLU CG C 13 36.942 0.100 . 1 . . . . 75 E CG . 7165 1 914 . 1 1 75 75 GLU N N 15 126.101 0.058 . 1 . . . . 75 E N . 7165 1 915 . 1 1 76 76 LEU H H 1 7.949 0.006 . 1 . . . . 76 L HN . 7165 1 916 . 1 1 76 76 LEU HA H 1 4.241 0.012 . 1 . . . . 76 L HA . 7165 1 917 . 1 1 76 76 LEU HB2 H 1 1.919 0.005 . 1 . . . . 76 L HB2 . 7165 1 918 . 1 1 76 76 LEU HB3 H 1 1.681 0.006 . 1 . . . . 76 L HB3 . 7165 1 919 . 1 1 76 76 LEU HG H 1 1.489 0.324 . 1 . . . . 76 L HG . 7165 1 920 . 1 1 76 76 LEU HD11 H 1 1.010 0.005 . 1 . . . . 76 L HD1# . 7165 1 921 . 1 1 76 76 LEU HD12 H 1 1.010 0.005 . 1 . . . . 76 L HD1# . 7165 1 922 . 1 1 76 76 LEU HD13 H 1 1.010 0.005 . 1 . . . . 76 L HD1# . 7165 1 923 . 1 1 76 76 LEU HD21 H 1 0.885 0.002 . 1 . . . . 76 L HD2# . 7165 1 924 . 1 1 76 76 LEU HD22 H 1 0.885 0.002 . 1 . . . . 76 L HD2# . 7165 1 925 . 1 1 76 76 LEU HD23 H 1 0.885 0.002 . 1 . . . . 76 L HD2# . 7165 1 926 . 1 1 76 76 LEU C C 13 178.042 0.013 . 1 . . . . 76 L CO . 7165 1 927 . 1 1 76 76 LEU CA C 13 55.953 0.148 . 1 . . . . 76 L CA . 7165 1 928 . 1 1 76 76 LEU CB C 13 41.550 0.081 . 1 . . . . 76 L CB . 7165 1 929 . 1 1 76 76 LEU CG C 13 27.664 0.100 . 1 . . . . 76 L CG . 7165 1 930 . 1 1 76 76 LEU CD1 C 13 25.468 0.100 . 1 . . . . 76 L CD1 . 7165 1 931 . 1 1 76 76 LEU CD2 C 13 22.826 0.100 . 1 . . . . 76 L CD2 . 7165 1 932 . 1 1 76 76 LEU N N 15 118.385 0.060 . 1 . . . . 76 L N . 7165 1 933 . 1 1 77 77 GLU H H 1 7.098 0.007 . 1 . . . . 77 E HN . 7165 1 934 . 1 1 77 77 GLU HA H 1 4.912 0.010 . 1 . . . . 77 E HA . 7165 1 935 . 1 1 77 77 GLU HB2 H 1 2.615 0.007 . 1 . . . . 77 E HB2 . 7165 1 936 . 1 1 77 77 GLU HB3 H 1 1.357 0.012 . 1 . . . . 77 E HB3 . 7165 1 937 . 1 1 77 77 GLU HG2 H 1 1.978 0.006 . 1 . . . . 77 E HG2 . 7165 1 938 . 1 1 77 77 GLU HG3 H 1 1.888 0.010 . 1 . . . . 77 E HG3 . 7165 1 939 . 1 1 77 77 GLU C C 13 176.188 0.016 . 1 . . . . 77 E CO . 7165 1 940 . 1 1 77 77 GLU CA C 13 54.669 0.144 . 1 . . . . 77 E CA . 7165 1 941 . 1 1 77 77 GLU CB C 13 31.535 0.047 . 1 . . . . 77 E CB . 7165 1 942 . 1 1 77 77 GLU CG C 13 33.360 0.100 . 1 . . . . 77 E CG . 7165 1 943 . 1 1 77 77 GLU N N 15 115.273 0.057 . 1 . . . . 77 E N . 7165 1 944 . 1 1 78 78 GLY H H 1 7.296 0.005 . 1 . . . . 78 G HN . 7165 1 945 . 1 1 78 78 GLY HA2 H 1 4.200 0.002 . 1 . . . . 78 G HA2 . 7165 1 946 . 1 1 78 78 GLY HA3 H 1 3.581 0.004 . 1 . . . . 78 G HA3 . 7165 1 947 . 1 1 78 78 GLY C C 13 174.327 0.033 . 1 . . . . 78 G CO . 7165 1 948 . 1 1 78 78 GLY CA C 13 45.218 0.012 . 1 . . . . 78 G CA . 7165 1 949 . 1 1 78 78 GLY N N 15 105.724 0.070 . 1 . . . . 78 G N . 7165 1 950 . 1 1 79 79 GLU H H 1 8.233 0.005 . 1 . . . . 79 E HN . 7165 1 951 . 1 1 79 79 GLU HA H 1 2.477 0.006 . 1 . . . . 79 E HA . 7165 1 952 . 1 1 79 79 GLU HB2 H 1 1.376 0.003 . 1 . . . . 79 E HB2 . 7165 1 953 . 1 1 79 79 GLU HB3 H 1 0.723 0.005 . 1 . . . . 79 E HB3 . 7165 1 954 . 1 1 79 79 GLU HG2 H 1 1.306 0.012 . 1 . . . . 79 E HG2 . 7165 1 955 . 1 1 79 79 GLU HG3 H 1 -0.067 0.002 . 1 . . . . 79 E HG3 . 7165 1 956 . 1 1 79 79 GLU C C 13 175.857 0.023 . 1 . . . . 79 E CO . 7165 1 957 . 1 1 79 79 GLU CA C 13 57.948 0.161 . 1 . . . . 79 E CA . 7165 1 958 . 1 1 79 79 GLU CB C 13 27.404 0.010 . 1 . . . . 79 E CB . 7165 1 959 . 1 1 79 79 GLU CG C 13 35.213 0.100 . 1 . . . . 79 E CG . 7165 1 960 . 1 1 79 79 GLU N N 15 120.411 0.057 . 1 . . . . 79 E N . 7165 1 961 . 1 1 80 80 LYS H H 1 7.987 0.007 . 1 . . . . 80 K HN . 7165 1 962 . 1 1 80 80 LYS HA H 1 3.887 0.006 . 1 . . . . 80 K HA . 7165 1 963 . 1 1 80 80 LYS HB2 H 1 1.830 0.009 . 1 . . . . 80 K HB2 . 7165 1 964 . 1 1 80 80 LYS HB3 H 1 1.830 0.009 . 1 . . . . 80 K HB3 . 7165 1 965 . 1 1 80 80 LYS HG2 H 1 1.348 0.007 . 1 . . . . 80 K HG2 . 7165 1 966 . 1 1 80 80 LYS HG3 H 1 1.348 0.007 . 1 . . . . 80 K HG3 . 7165 1 967 . 1 1 80 80 LYS HD2 H 1 1.880 0.003 . 1 . . . . 80 K HD2 . 7165 1 968 . 1 1 80 80 LYS HD3 H 1 1.880 0.003 . 1 . . . . 80 K HD3 . 7165 1 969 . 1 1 80 80 LYS HE2 H 1 3.128 0.010 . 1 . . . . 80 K HE2 . 7165 1 970 . 1 1 80 80 LYS HE3 H 1 3.048 0.010 . 1 . . . . 80 K HE3 . 7165 1 971 . 1 1 80 80 LYS C C 13 176.551 0.020 . 1 . . . . 80 K CO . 7165 1 972 . 1 1 80 80 LYS CA C 13 59.736 0.060 . 1 . . . . 80 K CA . 7165 1 973 . 1 1 80 80 LYS CB C 13 32.629 0.030 . 1 . . . . 80 K CB . 7165 1 974 . 1 1 80 80 LYS CG C 13 27.102 0.100 . 1 . . . . 80 K CG . 7165 1 975 . 1 1 80 80 LYS CD C 13 29.675 0.032 . 1 . . . . 80 K CD . 7165 1 976 . 1 1 80 80 LYS CE C 13 41.624 0.100 . 1 . . . . 80 K CE . 7165 1 977 . 1 1 80 80 LYS N N 15 119.832 0.050 . 1 . . . . 80 K N . 7165 1 978 . 1 1 81 81 ASP H H 1 7.865 0.007 . 1 . . . . 81 D HN . 7165 1 979 . 1 1 81 81 ASP HA H 1 4.599 0.002 . 1 . . . . 81 D HA . 7165 1 980 . 1 1 81 81 ASP HB2 H 1 2.780 0.007 . 1 . . . . 81 D HB2 . 7165 1 981 . 1 1 81 81 ASP HB3 H 1 2.613 0.007 . 1 . . . . 81 D HB3 . 7165 1 982 . 1 1 81 81 ASP C C 13 176.346 0.059 . 1 . . . . 81 D CO . 7165 1 983 . 1 1 81 81 ASP CA C 13 54.738 0.024 . 1 . . . . 81 D CA . 7165 1 984 . 1 1 81 81 ASP CB C 13 41.361 0.027 . 1 . . . . 81 D CB . 7165 1 985 . 1 1 81 81 ASP N N 15 115.377 0.054 . 1 . . . . 81 D N . 7165 1 986 . 1 1 82 82 TYR H H 1 7.321 0.005 . 1 . . . . 82 Y HN . 7165 1 987 . 1 1 82 82 TYR HA H 1 4.061 0.002 . 1 . . . . 82 Y HA . 7165 1 988 . 1 1 82 82 TYR HB2 H 1 3.085 0.008 . 1 . . . . 82 Y HB2 . 7165 1 989 . 1 1 82 82 TYR HB3 H 1 2.754 0.004 . 1 . . . . 82 Y HB3 . 7165 1 990 . 1 1 82 82 TYR HD1 H 1 7.066 0.007 . 1 . . . . 82 Y HD2 . 7165 1 991 . 1 1 82 82 TYR HD2 H 1 7.066 0.007 . 1 . . . . 82 Y HD3 . 7165 1 992 . 1 1 82 82 TYR HE1 H 1 6.829 0.001 . 1 . . . . 82 Y HE2 . 7165 1 993 . 1 1 82 82 TYR HE2 H 1 6.829 0.001 . 1 . . . . 82 Y HE3 . 7165 1 994 . 1 1 82 82 TYR C C 13 174.031 0.008 . 1 . . . . 82 Y CO . 7165 1 995 . 1 1 82 82 TYR CA C 13 60.222 0.091 . 1 . . . . 82 Y CA . 7165 1 996 . 1 1 82 82 TYR CB C 13 37.093 0.050 . 1 . . . . 82 Y CB . 7165 1 997 . 1 1 82 82 TYR N N 15 122.509 0.073 . 1 . . . . 82 Y N . 7165 1 998 . 1 1 83 83 ILE H H 1 7.192 0.008 . 1 . . . . 83 I HN . 7165 1 999 . 1 1 83 83 ILE HA H 1 3.765 0.006 . 1 . . . . 83 I HA . 7165 1 1000 . 1 1 83 83 ILE HB H 1 1.320 0.008 . 1 . . . . 83 I HB . 7165 1 1001 . 1 1 83 83 ILE HG12 H 1 1.728 0.010 . 1 . . . . 83 I HG12 . 7165 1 1002 . 1 1 83 83 ILE HG13 H 1 0.628 0.010 . 1 . . . . 83 I HG13 . 7165 1 1003 . 1 1 83 83 ILE HG21 H 1 0.752 0.005 . 1 . . . . 83 I HG2# . 7165 1 1004 . 1 1 83 83 ILE HG22 H 1 0.752 0.005 . 1 . . . . 83 I HG2# . 7165 1 1005 . 1 1 83 83 ILE HG23 H 1 0.752 0.005 . 1 . . . . 83 I HG2# . 7165 1 1006 . 1 1 83 83 ILE HD11 H 1 0.796 0.002 . 1 . . . . 83 I HD1# . 7165 1 1007 . 1 1 83 83 ILE HD12 H 1 0.796 0.002 . 1 . . . . 83 I HD1# . 7165 1 1008 . 1 1 83 83 ILE HD13 H 1 0.796 0.002 . 1 . . . . 83 I HD1# . 7165 1 1009 . 1 1 83 83 ILE C C 13 174.031 0.004 . 1 . . . . 83 I CO . 7165 1 1010 . 1 1 83 83 ILE CA C 13 61.516 0.007 . 1 . . . . 83 I CA . 7165 1 1011 . 1 1 83 83 ILE CB C 13 38.294 0.159 . 1 . . . . 83 I CB . 7165 1 1012 . 1 1 83 83 ILE CG1 C 13 28.430 0.100 . 1 . . . . 83 I CG1 . 7165 1 1013 . 1 1 83 83 ILE N N 15 129.107 0.063 . 1 . . . . 83 I N . 7165 1 1014 . 1 1 84 84 LEU H H 1 8.543 0.006 . 1 . . . . 84 L HN . 7165 1 1015 . 1 1 84 84 LEU HA H 1 4.168 0.004 . 1 . . . . 84 L HA . 7165 1 1016 . 1 1 84 84 LEU HB2 H 1 1.641 0.004 . 1 . . . . 84 L HB2 . 7165 1 1017 . 1 1 84 84 LEU HB3 H 1 1.090 0.015 . 1 . . . . 84 L HB3 . 7165 1 1018 . 1 1 84 84 LEU HG H 1 0.776 0.010 . 1 . . . . 84 L HG . 7165 1 1019 . 1 1 84 84 LEU HD11 H 1 1.732 0.010 . 1 . . . . 84 L HD1# . 7165 1 1020 . 1 1 84 84 LEU HD12 H 1 1.732 0.010 . 1 . . . . 84 L HD1# . 7165 1 1021 . 1 1 84 84 LEU HD13 H 1 1.732 0.010 . 1 . . . . 84 L HD1# . 7165 1 1022 . 1 1 84 84 LEU HD21 H 1 1.084 0.010 . 1 . . . . 84 L HD2# . 7165 1 1023 . 1 1 84 84 LEU HD22 H 1 1.084 0.010 . 1 . . . . 84 L HD2# . 7165 1 1024 . 1 1 84 84 LEU HD23 H 1 1.084 0.010 . 1 . . . . 84 L HD2# . 7165 1 1025 . 1 1 84 84 LEU C C 13 176.038 0.029 . 1 . . . . 84 L CO . 7165 1 1026 . 1 1 84 84 LEU CA C 13 55.328 0.007 . 1 . . . . 84 L CA . 7165 1 1027 . 1 1 84 84 LEU CB C 13 43.754 0.013 . 1 . . . . 84 L CB . 7165 1 1028 . 1 1 84 84 LEU CG C 13 27.318 0.100 . 1 . . . . 84 L CG . 7165 1 1029 . 1 1 84 84 LEU CD1 C 13 24.451 0.100 . 1 . . . . 84 L CD1 . 7165 1 1030 . 1 1 84 84 LEU CD2 C 13 24.451 0.100 . 1 . . . . 84 L CD2 . 7165 1 1031 . 1 1 84 84 LEU N N 15 124.511 0.081 . 1 . . . . 84 L N . 7165 1 1032 . 1 1 85 85 GLU H H 1 8.586 0.008 . 1 . . . . 85 E HN . 7165 1 1033 . 1 1 85 85 GLU HA H 1 4.445 0.002 . 1 . . . . 85 E HA . 7165 1 1034 . 1 1 85 85 GLU HB2 H 1 1.951 0.010 . 1 . . . . 85 E HB2 . 7165 1 1035 . 1 1 85 85 GLU HB3 H 1 1.880 0.010 . 1 . . . . 85 E HB3 . 7165 1 1036 . 1 1 85 85 GLU HG2 H 1 2.322 0.004 . 1 . . . . 85 E HG2 . 7165 1 1037 . 1 1 85 85 GLU HG3 H 1 2.171 0.004 . 1 . . . . 85 E HG3 . 7165 1 1038 . 1 1 85 85 GLU C C 13 175.350 0.022 . 1 . . . . 85 E CO . 7165 1 1039 . 1 1 85 85 GLU CA C 13 53.755 0.028 . 1 . . . . 85 E CA . 7165 1 1040 . 1 1 85 85 GLU CB C 13 32.322 0.100 . 1 . . . . 85 E CB . 7165 1 1041 . 1 1 85 85 GLU CG C 13 36.213 0.100 . 1 . . . . 85 E CG . 7165 1 1042 . 1 1 85 85 GLU N N 15 120.376 0.094 . 1 . . . . 85 E N . 7165 1 1043 . 1 1 86 86 ASP H H 1 8.610 0.006 . 1 . . . . 86 D HN . 7165 1 1044 . 1 1 86 86 ASP HA H 1 4.554 0.006 . 1 . . . . 86 D HA . 7165 1 1045 . 1 1 86 86 ASP HB2 H 1 2.634 0.002 . 1 . . . . 86 D HB2 . 7165 1 1046 . 1 1 86 86 ASP HB3 H 1 2.634 0.002 . 1 . . . . 86 D HB3 . 7165 1 1047 . 1 1 86 86 ASP C C 13 178.295 0.032 . 1 . . . . 86 D CO . 7165 1 1048 . 1 1 86 86 ASP CA C 13 56.242 0.108 . 1 . . . . 86 D CA . 7165 1 1049 . 1 1 86 86 ASP CB C 13 41.892 0.024 . 1 . . . . 86 D CB . 7165 1 1050 . 1 1 86 86 ASP N N 15 120.743 0.055 . 1 . . . . 86 D N . 7165 1 1051 . 1 1 87 87 GLY H H 1 9.173 0.005 . 1 . . . . 87 G HN . 7165 1 1052 . 1 1 87 87 GLY HA2 H 1 4.315 0.004 . 1 . . . . 87 G HA2 . 7165 1 1053 . 1 1 87 87 GLY HA3 H 1 3.595 0.005 . 1 . . . . 87 G HA3 . 7165 1 1054 . 1 1 87 87 GLY C C 13 174.781 0.020 . 1 . . . . 87 G CO . 7165 1 1055 . 1 1 87 87 GLY CA C 13 44.939 0.055 . 1 . . . . 87 G CA . 7165 1 1056 . 1 1 87 87 GLY N N 15 113.593 0.067 . 1 . . . . 87 G N . 7165 1 1057 . 1 1 88 88 ASP H H 1 8.175 0.004 . 1 . . . . 88 D HN . 7165 1 1058 . 1 1 88 88 ASP HA H 1 4.791 0.004 . 1 . . . . 88 D HA . 7165 1 1059 . 1 1 88 88 ASP HB2 H 1 2.883 0.014 . 1 . . . . 88 D HB2 . 7165 1 1060 . 1 1 88 88 ASP HB3 H 1 2.327 0.003 . 1 . . . . 88 D HB3 . 7165 1 1061 . 1 1 88 88 ASP C C 13 174.626 0.010 . 1 . . . . 88 D CO . 7165 1 1062 . 1 1 88 88 ASP CA C 13 55.887 0.428 . 1 . . . . 88 D CA . 7165 1 1063 . 1 1 88 88 ASP CB C 13 42.207 0.020 . 1 . . . . 88 D CB . 7165 1 1064 . 1 1 88 88 ASP N N 15 122.558 0.053 . 1 . . . . 88 D N . 7165 1 1065 . 1 1 89 89 ILE H H 1 8.116 0.006 . 1 . . . . 89 I HN . 7165 1 1066 . 1 1 89 89 ILE HA H 1 4.934 0.012 . 1 . . . . 89 I HA . 7165 1 1067 . 1 1 89 89 ILE HB H 1 1.634 0.005 . 1 . . . . 89 I HB . 7165 1 1068 . 1 1 89 89 ILE HG12 H 1 1.737 0.010 . 1 . . . . 89 I HG12 . 7165 1 1069 . 1 1 89 89 ILE HG13 H 1 0.806 0.010 . 1 . . . . 89 I HG13 . 7165 1 1070 . 1 1 89 89 ILE HG21 H 1 0.621 0.009 . 1 . . . . 89 I HG2# . 7165 1 1071 . 1 1 89 89 ILE HG22 H 1 0.621 0.009 . 1 . . . . 89 I HG2# . 7165 1 1072 . 1 1 89 89 ILE HG23 H 1 0.621 0.009 . 1 . . . . 89 I HG2# . 7165 1 1073 . 1 1 89 89 ILE HD11 H 1 0.832 0.010 . 1 . . . . 89 I HD1# . 7165 1 1074 . 1 1 89 89 ILE HD12 H 1 0.832 0.010 . 1 . . . . 89 I HD1# . 7165 1 1075 . 1 1 89 89 ILE HD13 H 1 0.832 0.010 . 1 . . . . 89 I HD1# . 7165 1 1076 . 1 1 89 89 ILE C C 13 175.163 0.009 . 1 . . . . 89 I CO . 7165 1 1077 . 1 1 89 89 ILE CA C 13 59.895 0.010 . 1 . . . . 89 I CA . 7165 1 1078 . 1 1 89 89 ILE CB C 13 40.125 0.066 . 1 . . . . 89 I CB . 7165 1 1079 . 1 1 89 89 ILE CG1 C 13 27.634 0.100 . 1 . . . . 89 I CG1 . 7165 1 1080 . 1 1 89 89 ILE CG2 C 13 17.168 0.100 . 1 . . . . 89 I CG2 . 7165 1 1081 . 1 1 89 89 ILE CD1 C 13 14.165 0.100 . 1 . . . . 89 I CD1 . 7165 1 1082 . 1 1 89 89 ILE N N 15 118.178 0.055 . 1 . . . . 89 I N . 7165 1 1083 . 1 1 90 90 ILE H H 1 9.001 0.006 . 1 . . . . 90 I HN . 7165 1 1084 . 1 1 90 90 ILE HA H 1 4.846 0.003 . 1 . . . . 90 I HA . 7165 1 1085 . 1 1 90 90 ILE HB H 1 1.638 0.003 . 1 . . . . 90 I HB . 7165 1 1086 . 1 1 90 90 ILE HG12 H 1 1.140 0.005 . 1 . . . . 90 I HG12 . 7165 1 1087 . 1 1 90 90 ILE HG13 H 1 1.140 0.005 . 1 . . . . 90 I HG13 . 7165 1 1088 . 1 1 90 90 ILE HG21 H 1 0.180 0.002 . 1 . . . . 90 I HG2# . 7165 1 1089 . 1 1 90 90 ILE HG22 H 1 0.180 0.002 . 1 . . . . 90 I HG2# . 7165 1 1090 . 1 1 90 90 ILE HG23 H 1 0.180 0.002 . 1 . . . . 90 I HG2# . 7165 1 1091 . 1 1 90 90 ILE HD11 H 1 0.723 0.010 . 1 . . . . 90 I HD1# . 7165 1 1092 . 1 1 90 90 ILE HD12 H 1 0.723 0.010 . 1 . . . . 90 I HD1# . 7165 1 1093 . 1 1 90 90 ILE HD13 H 1 0.723 0.010 . 1 . . . . 90 I HD1# . 7165 1 1094 . 1 1 90 90 ILE C C 13 173.964 0.002 . 1 . . . . 90 I CO . 7165 1 1095 . 1 1 90 90 ILE CA C 13 58.676 0.111 . 1 . . . . 90 I CA . 7165 1 1096 . 1 1 90 90 ILE CB C 13 38.939 0.155 . 1 . . . . 90 I CB . 7165 1 1097 . 1 1 90 90 ILE CG1 C 13 29.335 0.100 . 1 . . . . 90 I CG1 . 7165 1 1098 . 1 1 90 90 ILE CD1 C 13 14.293 0.100 . 1 . . . . 90 I CD1 . 7165 1 1099 . 1 1 90 90 ILE N N 15 131.063 0.083 . 1 . . . . 90 I N . 7165 1 1100 . 1 1 91 91 SER H H 1 8.801 0.006 . 1 . . . . 91 S HN . 7165 1 1101 . 1 1 91 91 SER HA H 1 5.171 0.005 . 1 . . . . 91 S HA . 7165 1 1102 . 1 1 91 91 SER HB2 H 1 3.553 0.010 . 1 . . . . 91 S HB2 . 7165 1 1103 . 1 1 91 91 SER HB3 H 1 3.490 0.010 . 1 . . . . 91 S HB3 . 7165 1 1104 . 1 1 91 91 SER C C 13 172.053 0.011 . 1 . . . . 91 S CO . 7165 1 1105 . 1 1 91 91 SER CA C 13 55.143 0.088 . 1 . . . . 91 S CA . 7165 1 1106 . 1 1 91 91 SER CB C 13 65.791 0.163 . 1 . . . . 91 S CB . 7165 1 1107 . 1 1 91 91 SER N N 15 119.771 0.063 . 1 . . . . 91 S N . 7165 1 1108 . 1 1 92 92 PHE H H 1 8.797 0.006 . 1 . . . . 92 F HN . 7165 1 1109 . 1 1 92 92 PHE HA H 1 5.287 0.006 . 1 . . . . 92 F HA . 7165 1 1110 . 1 1 92 92 PHE HB2 H 1 3.137 0.005 . 1 . . . . 92 F HB2 . 7165 1 1111 . 1 1 92 92 PHE HB3 H 1 2.825 0.005 . 1 . . . . 92 F HB3 . 7165 1 1112 . 1 1 92 92 PHE HD1 H 1 6.975 0.003 . 1 . . . . 92 F HD2 . 7165 1 1113 . 1 1 92 92 PHE HD2 H 1 6.975 0.003 . 1 . . . . 92 F HD3 . 7165 1 1114 . 1 1 92 92 PHE C C 13 174.770 0.010 . 1 . . . . 92 F CO . 7165 1 1115 . 1 1 92 92 PHE CA C 13 55.854 0.069 . 1 . . . . 92 F CA . 7165 1 1116 . 1 1 92 92 PHE CB C 13 42.144 0.048 . 1 . . . . 92 F CB . 7165 1 1117 . 1 1 92 92 PHE N N 15 122.061 0.070 . 1 . . . . 92 F N . 7165 1 1118 . 1 1 93 93 THR H H 1 9.227 0.006 . 1 . . . . 93 T HN . 7165 1 1119 . 1 1 93 93 THR HA H 1 4.622 0.003 . 1 . . . . 93 T HA . 7165 1 1120 . 1 1 93 93 THR HB H 1 3.902 0.005 . 1 . . . . 93 T HB . 7165 1 1121 . 1 1 93 93 THR HG21 H 1 1.010 0.006 . 1 . . . . 93 T HG2# . 7165 1 1122 . 1 1 93 93 THR HG22 H 1 1.010 0.006 . 1 . . . . 93 T HG2# . 7165 1 1123 . 1 1 93 93 THR HG23 H 1 1.010 0.006 . 1 . . . . 93 T HG2# . 7165 1 1124 . 1 1 93 93 THR C C 13 174.473 0.004 . 1 . . . . 93 T CO . 7165 1 1125 . 1 1 93 93 THR CA C 13 61.330 0.057 . 1 . . . . 93 T CA . 7165 1 1126 . 1 1 93 93 THR CB C 13 70.653 0.051 . 1 . . . . 93 T CB . 7165 1 1127 . 1 1 93 93 THR CG2 C 13 20.751 0.100 . 1 . . . . 93 T CG . 7165 1 1128 . 1 1 93 93 THR N N 15 119.098 0.048 . 1 . . . . 93 T N . 7165 1 1129 . 1 1 94 94 SER H H 1 7.947 0.010 . 1 . . . . 94 S HN . 7165 1 1130 . 1 1 94 94 SER HA H 1 4.744 0.006 . 1 . . . . 94 S HA . 7165 1 1131 . 1 1 94 94 SER HB2 H 1 3.970 0.010 . 1 . . . . 94 S HB2 . 7165 1 1132 . 1 1 94 94 SER HB3 H 1 3.903 0.010 . 1 . . . . 94 S HB3 . 7165 1 1133 . 1 1 94 94 SER C C 13 174.809 0.100 . 1 . . . . 94 S CO . 7165 1 1134 . 1 1 94 94 SER CA C 13 58.273 0.083 . 1 . . . . 94 S CA . 7165 1 1135 . 1 1 94 94 SER CB C 13 63.656 0.105 . 1 . . . . 94 S CB . 7165 1 1136 . 1 1 94 94 SER N N 15 120.173 0.050 . 1 . . . . 94 S N . 7165 1 1137 . 1 1 95 95 THR H H 1 8.106 0.006 . 1 . . . . 95 T HN . 7165 1 1138 . 1 1 95 95 THR HA H 1 4.589 0.008 . 1 . . . . 95 T HA . 7165 1 1139 . 1 1 95 95 THR HB H 1 4.382 0.001 . 1 . . . . 95 T HB . 7165 1 1140 . 1 1 95 95 THR HG21 H 1 1.209 0.008 . 1 . . . . 95 T HG2# . 7165 1 1141 . 1 1 95 95 THR HG22 H 1 1.209 0.008 . 1 . . . . 95 T HG2# . 7165 1 1142 . 1 1 95 95 THR HG23 H 1 1.209 0.008 . 1 . . . . 95 T HG2# . 7165 1 1143 . 1 1 95 95 THR C C 13 174.648 0.013 . 1 . . . . 95 T CO . 7165 1 1144 . 1 1 95 95 THR CA C 13 61.787 0.071 . 1 . . . . 95 T CA . 7165 1 1145 . 1 1 95 95 THR CB C 13 70.100 0.109 . 1 . . . . 95 T CB . 7165 1 1146 . 1 1 95 95 THR N N 15 116.723 0.078 . 1 . . . . 95 T N . 7165 1 1147 . 1 1 96 96 LEU H H 1 8.240 0.011 . 1 . . . . 96 L HN . 7165 1 1148 . 1 1 96 96 LEU HA H 1 4.318 0.005 . 1 . . . . 96 L HA . 7165 1 1149 . 1 1 96 96 LEU HB2 H 1 1.496 0.011 . 1 . . . . 96 L HB2 . 7165 1 1150 . 1 1 96 96 LEU HB3 H 1 1.496 0.011 . 1 . . . . 96 L HB3 . 7165 1 1151 . 1 1 96 96 LEU HD11 H 1 0.855 0.010 . 1 . . . . 96 L HD1# . 7165 1 1152 . 1 1 96 96 LEU HD12 H 1 0.855 0.010 . 1 . . . . 96 L HD1# . 7165 1 1153 . 1 1 96 96 LEU HD13 H 1 0.855 0.010 . 1 . . . . 96 L HD1# . 7165 1 1154 . 1 1 96 96 LEU HD21 H 1 0.855 0.010 . 1 . . . . 96 L HD2# . 7165 1 1155 . 1 1 96 96 LEU HD22 H 1 0.855 0.010 . 1 . . . . 96 L HD2# . 7165 1 1156 . 1 1 96 96 LEU HD23 H 1 0.855 0.010 . 1 . . . . 96 L HD2# . 7165 1 1157 . 1 1 96 96 LEU C C 13 177.300 0.104 . 1 . . . . 96 L CO . 7165 1 1158 . 1 1 96 96 LEU CA C 13 55.379 0.036 . 1 . . . . 96 L CA . 7165 1 1159 . 1 1 96 96 LEU CB C 13 42.308 0.020 . 1 . . . . 96 L CB . 7165 1 1160 . 1 1 96 96 LEU CG C 13 27.070 0.100 . 1 . . . . 96 L CG . 7165 1 1161 . 1 1 96 96 LEU CD1 C 13 25.030 0.100 . 1 . . . . 96 L CD1 . 7165 1 1162 . 1 1 96 96 LEU CD2 C 13 23.506 0.100 . 1 . . . . 96 L CD2 . 7165 1 1163 . 1 1 96 96 LEU N N 15 123.204 0.053 . 1 . . . . 96 L N . 7165 1 1164 . 1 1 97 97 HIS H H 1 8.417 0.006 . 1 . . . . 97 H HN . 7165 1 1165 . 1 1 97 97 HIS HA H 1 4.628 0.017 . 1 . . . . 97 H HA . 7165 1 1166 . 1 1 97 97 HIS HB2 H 1 3.236 0.012 . 1 . . . . 97 H HB2 . 7165 1 1167 . 1 1 97 97 HIS HB3 H 1 3.088 0.007 . 1 . . . . 97 H HB3 . 7165 1 1168 . 1 1 97 97 HIS C C 13 175.741 0.027 . 1 . . . . 97 H CO . 7165 1 1169 . 1 1 97 97 HIS CA C 13 56.359 0.048 . 1 . . . . 97 H CA . 7165 1 1170 . 1 1 97 97 HIS CB C 13 30.432 0.076 . 1 . . . . 97 H CB . 7165 1 1171 . 1 1 97 97 HIS N N 15 120.254 0.107 . 1 . . . . 97 H N . 7165 1 1172 . 1 1 98 98 GLY H H 1 8.362 0.006 . 1 . . . . 98 G HN . 7165 1 1173 . 1 1 98 98 GLY HA2 H 1 3.927 0.004 . 1 . . . . 98 G HA2 . 7165 1 1174 . 1 1 98 98 GLY HA3 H 1 3.927 0.004 . 1 . . . . 98 G HA3 . 7165 1 1175 . 1 1 98 98 GLY CA C 13 45.570 0.031 . 1 . . . . 98 G CA . 7165 1 1176 . 1 1 98 98 GLY N N 15 110.139 0.087 . 1 . . . . 98 G N . 7165 1 1177 . 1 1 99 99 GLY H H 1 8.351 0.008 . 1 . . . . 99 G HN . 7165 1 1178 . 1 1 99 99 GLY C C 13 174.241 0.217 . 1 . . . . 99 G CO . 7165 1 1179 . 1 1 99 99 GLY CA C 13 45.304 0.100 . 1 . . . . 99 G CA . 7165 1 1180 . 1 1 99 99 GLY N N 15 109.312 0.469 . 1 . . . . 99 G N . 7165 1 stop_ save_