################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15111 _Assigned_chem_shift_list.ID 1 _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' . . . 15111 1 3 '3D CBCA(CO)NH' . . . 15111 1 4 '3D C(CO)NH' . . . 15111 1 6 '3D HNCACB' . . . 15111 1 7 '3D HCCH-TOCSY' . . . 15111 1 8 '3D HNHA' . . . 15111 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 3 3 ALA H H 1 8.183 0.003 . . . . . . 3 ALA HN . 15111 1 2 . 1 1 3 3 ALA HA H 1 4.292 0.000 . . . . . . 3 ALA HA . 15111 1 3 . 1 1 3 3 ALA HB1 H 1 1.412 0.000 . . . . . . 3 ALA HB . 15111 1 4 . 1 1 3 3 ALA HB2 H 1 1.412 0.000 . . . . . . 3 ALA HB . 15111 1 5 . 1 1 3 3 ALA HB3 H 1 1.412 0.000 . . . . . . 3 ALA HB . 15111 1 6 . 1 1 3 3 ALA N N 15 123.037 0.025 . . . . . . 3 ALA N . 15111 1 7 . 1 1 4 4 LEU H H 1 8.106 0.008 . . . . . . 4 LEU HN . 15111 1 8 . 1 1 4 4 LEU HA H 1 4.323 0.029 . . . . . . 4 LEU HA . 15111 1 9 . 1 1 4 4 LEU HB2 H 1 1.663 0.013 . . . . . . 4 LEU HB2 . 15111 1 10 . 1 1 4 4 LEU HB3 H 1 1.579 0.019 . . . . . . 4 LEU HB3 . 15111 1 11 . 1 1 4 4 LEU HG H 1 1.610 0.000 . . . . . . 4 LEU HG . 15111 1 12 . 1 1 4 4 LEU HD11 H 1 0.926 0.011 . . . . . . 4 LEU HD1 . 15111 1 13 . 1 1 4 4 LEU HD12 H 1 0.926 0.011 . . . . . . 4 LEU HD1 . 15111 1 14 . 1 1 4 4 LEU HD13 H 1 0.926 0.011 . . . . . . 4 LEU HD1 . 15111 1 15 . 1 1 4 4 LEU HD21 H 1 0.870 0.003 . . . . . . 4 LEU HD2 . 15111 1 16 . 1 1 4 4 LEU HD22 H 1 0.870 0.003 . . . . . . 4 LEU HD2 . 15111 1 17 . 1 1 4 4 LEU HD23 H 1 0.870 0.003 . . . . . . 4 LEU HD2 . 15111 1 18 . 1 1 4 4 LEU CA C 13 55.330 0.006 . . . . . . 4 LEU CA . 15111 1 19 . 1 1 4 4 LEU CB C 13 42.333 0.025 . . . . . . 4 LEU CB . 15111 1 20 . 1 1 4 4 LEU CG C 13 27.181 0.042 . . . . . . 4 LEU CG . 15111 1 21 . 1 1 4 4 LEU CD2 C 13 23.568 0.024 . . . . . . 4 LEU CD2 . 15111 1 22 . 1 1 4 4 LEU N N 15 120.072 0.088 . . . . . . 4 LEU N . 15111 1 23 . 1 1 5 5 GLU H H 1 8.247 0.003 . . . . . . 5 GLU HN . 15111 1 24 . 1 1 5 5 GLU HA H 1 4.277 0.005 . . . . . . 5 GLU HA . 15111 1 25 . 1 1 5 5 GLU HB2 H 1 2.024 0.011 . . . . . . 5 GLU HB2 . 15111 1 26 . 1 1 5 5 GLU HB3 H 1 1.971 0.022 . . . . . . 5 GLU HB3 . 15111 1 27 . 1 1 5 5 GLU HG2 H 1 2.275 0.022 . . . . . . 5 GLU HG2 . 15111 1 28 . 1 1 5 5 GLU HG3 H 1 2.226 0.013 . . . . . . 5 GLU HG3 . 15111 1 29 . 1 1 5 5 GLU CA C 13 56.665 0.044 . . . . . . 5 GLU CA . 15111 1 30 . 1 1 5 5 GLU CB C 13 30.752 0.047 . . . . . . 5 GLU CB . 15111 1 31 . 1 1 5 5 GLU N N 15 121.188 0.091 . . . . . . 5 GLU N . 15111 1 32 . 1 1 6 6 ASN H H 1 8.328 0.007 . . . . . . 6 ASN HN . 15111 1 33 . 1 1 6 6 ASN HA H 1 4.748 0.022 . . . . . . 6 ASN HA . 15111 1 34 . 1 1 6 6 ASN HB2 H 1 2.954 0.006 . . . . . . 6 ASN HB2 . 15111 1 35 . 1 1 6 6 ASN CA C 13 53.083 0.027 . . . . . . 6 ASN CA . 15111 1 36 . 1 1 6 6 ASN CB C 13 39.032 0.038 . . . . . . 6 ASN CB . 15111 1 37 . 1 1 6 6 ASN N N 15 120.022 0.046 . . . . . . 6 ASN N . 15111 1 38 . 1 1 7 7 VAL H H 1 8.371 0.004 . . . . . . 7 VAL HN . 15111 1 39 . 1 1 7 7 VAL HA H 1 3.856 0.007 . . . . . . 7 VAL HA . 15111 1 40 . 1 1 7 7 VAL HB H 1 2.133 0.007 . . . . . . 7 VAL HB . 15111 1 41 . 1 1 7 7 VAL HG11 H 1 1.002 0.011 . . . . . . 7 VAL HG1 . 15111 1 42 . 1 1 7 7 VAL HG12 H 1 1.002 0.011 . . . . . . 7 VAL HG1 . 15111 1 43 . 1 1 7 7 VAL HG13 H 1 1.002 0.011 . . . . . . 7 VAL HG1 . 15111 1 44 . 1 1 7 7 VAL CA C 13 64.912 0.008 . . . . . . 7 VAL CA . 15111 1 45 . 1 1 7 7 VAL CB C 13 32.266 0.042 . . . . . . 7 VAL CB . 15111 1 46 . 1 1 7 7 VAL CG1 C 13 21.980 0.025 . . . . . . 7 VAL CG1 . 15111 1 47 . 1 1 7 7 VAL N N 15 121.068 0.021 . . . . . . 7 VAL N . 15111 1 48 . 1 1 8 8 ASP H H 1 8.275 0.008 . . . . . . 8 ASP HN . 15111 1 49 . 1 1 8 8 ASP HA H 1 4.373 0.003 . . . . . . 8 ASP HA . 15111 1 50 . 1 1 8 8 ASP HB2 H 1 2.695 0.010 . . . . . . 8 ASP HB2 . 15111 1 51 . 1 1 8 8 ASP CA C 13 57.307 0.019 . . . . . . 8 ASP CA . 15111 1 52 . 1 1 8 8 ASP CB C 13 40.598 0.018 . . . . . . 8 ASP CB . 15111 1 53 . 1 1 8 8 ASP N N 15 121.835 0.051 . . . . . . 8 ASP N . 15111 1 54 . 1 1 9 9 ALA H H 1 8.194 0.006 . . . . . . 9 ALA HN . 15111 1 55 . 1 1 9 9 ALA HA H 1 4.219 0.010 . . . . . . 9 ALA HA . 15111 1 56 . 1 1 9 9 ALA HB1 H 1 1.519 0.005 . . . . . . 9 ALA HB . 15111 1 57 . 1 1 9 9 ALA HB2 H 1 1.519 0.005 . . . . . . 9 ALA HB . 15111 1 58 . 1 1 9 9 ALA HB3 H 1 1.519 0.005 . . . . . . 9 ALA HB . 15111 1 59 . 1 1 9 9 ALA CA C 13 54.937 0.006 . . . . . . 9 ALA CA . 15111 1 60 . 1 1 9 9 ALA CB C 13 18.608 0.019 . . . . . . 9 ALA CB . 15111 1 61 . 1 1 9 9 ALA N N 15 123.537 0.060 . . . . . . 9 ALA N . 15111 1 62 . 1 1 10 10 LYS H H 1 7.842 0.013 . . . . . . 10 LYS HN . 15111 1 63 . 1 1 10 10 LYS HA H 1 3.922 0.015 . . . . . . 10 LYS HA . 15111 1 64 . 1 1 10 10 LYS HB2 H 1 2.040 0.013 . . . . . . 10 LYS HB2 . 15111 1 65 . 1 1 10 10 LYS HB3 H 1 1.595 0.007 . . . . . . 10 LYS HB3 . 15111 1 66 . 1 1 10 10 LYS HG2 H 1 1.247 0.008 . . . . . . 10 LYS HG2 . 15111 1 67 . 1 1 10 10 LYS HD2 H 1 1.708 0.008 . . . . . . 10 LYS HD2 . 15111 1 68 . 1 1 10 10 LYS HD3 H 1 1.599 0.018 . . . . . . 10 LYS HD3 . 15111 1 69 . 1 1 10 10 LYS HE2 H 1 3.055 0.011 . . . . . . 10 LYS HE2 . 15111 1 70 . 1 1 10 10 LYS HE3 H 1 3.037 0.006 . . . . . . 10 LYS HE3 . 15111 1 71 . 1 1 10 10 LYS CA C 13 60.294 0.010 . . . . . . 10 LYS CA . 15111 1 72 . 1 1 10 10 LYS CB C 13 33.452 0.026 . . . . . . 10 LYS CB . 15111 1 73 . 1 1 10 10 LYS CG C 13 26.724 0.014 . . . . . . 10 LYS CG . 15111 1 74 . 1 1 10 10 LYS CD C 13 29.938 0.042 . . . . . . 10 LYS CD . 15111 1 75 . 1 1 10 10 LYS CE C 13 42.459 0.045 . . . . . . 10 LYS CE . 15111 1 76 . 1 1 10 10 LYS N N 15 120.626 0.069 . . . . . . 10 LYS N . 15111 1 77 . 1 1 11 11 ILE H H 1 8.159 0.005 . . . . . . 11 ILE HN . 15111 1 78 . 1 1 11 11 ILE HA H 1 3.556 0.009 . . . . . . 11 ILE HA . 15111 1 79 . 1 1 11 11 ILE HB H 1 1.991 0.009 . . . . . . 11 ILE HB . 15111 1 80 . 1 1 11 11 ILE HG12 H 1 1.802 0.010 . . . . . . 11 ILE HG12 . 15111 1 81 . 1 1 11 11 ILE HG13 H 1 0.660 0.016 . . . . . . 11 ILE HG13 . 15111 1 82 . 1 1 11 11 ILE HG21 H 1 0.983 0.014 . . . . . . 11 ILE HG2 . 15111 1 83 . 1 1 11 11 ILE HG22 H 1 0.983 0.014 . . . . . . 11 ILE HG2 . 15111 1 84 . 1 1 11 11 ILE HG23 H 1 0.983 0.014 . . . . . . 11 ILE HG2 . 15111 1 85 . 1 1 11 11 ILE HD11 H 1 0.905 0.006 . . . . . . 11 ILE HD1 . 15111 1 86 . 1 1 11 11 ILE HD12 H 1 0.905 0.006 . . . . . . 11 ILE HD1 . 15111 1 87 . 1 1 11 11 ILE HD13 H 1 0.905 0.006 . . . . . . 11 ILE HD1 . 15111 1 88 . 1 1 11 11 ILE CA C 13 64.577 0.027 . . . . . . 11 ILE CA . 15111 1 89 . 1 1 11 11 ILE CB C 13 38.360 0.026 . . . . . . 11 ILE CB . 15111 1 90 . 1 1 11 11 ILE CG1 C 13 30.367 0.026 . . . . . . 11 ILE CG1 . 15111 1 91 . 1 1 11 11 ILE CG2 C 13 17.703 0.007 . . . . . . 11 ILE CG2 . 15111 1 92 . 1 1 11 11 ILE CD1 C 13 13.922 0.016 . . . . . . 11 ILE CD1 . 15111 1 93 . 1 1 11 11 ILE N N 15 119.295 0.034 . . . . . . 11 ILE N . 15111 1 94 . 1 1 12 12 ALA H H 1 8.048 0.008 . . . . . . 12 ALA HN . 15111 1 95 . 1 1 12 12 ALA HA H 1 4.130 0.011 . . . . . . 12 ALA HA . 15111 1 96 . 1 1 12 12 ALA HB1 H 1 1.500 0.005 . . . . . . 12 ALA HB . 15111 1 97 . 1 1 12 12 ALA HB2 H 1 1.500 0.005 . . . . . . 12 ALA HB . 15111 1 98 . 1 1 12 12 ALA HB3 H 1 1.500 0.005 . . . . . . 12 ALA HB . 15111 1 99 . 1 1 12 12 ALA CA C 13 55.326 0.011 . . . . . . 12 ALA CA . 15111 1 100 . 1 1 12 12 ALA CB C 13 18.098 0.013 . . . . . . 12 ALA CB . 15111 1 101 . 1 1 12 12 ALA N N 15 120.596 0.067 . . . . . . 12 ALA N . 15111 1 102 . 1 1 13 13 LYS H H 1 7.938 0.006 . . . . . . 13 LYS HN . 15111 1 103 . 1 1 13 13 LYS HA H 1 4.109 0.006 . . . . . . 13 LYS HA . 15111 1 104 . 1 1 13 13 LYS HB2 H 1 2.025 0.007 . . . . . . 13 LYS HB2 . 15111 1 105 . 1 1 13 13 LYS HG2 H 1 1.462 0.009 . . . . . . 13 LYS HG2 . 15111 1 106 . 1 1 13 13 LYS HD2 H 1 1.721 0.006 . . . . . . 13 LYS HD2 . 15111 1 107 . 1 1 13 13 LYS HE2 H 1 3.038 0.006 . . . . . . 13 LYS HE2 . 15111 1 108 . 1 1 13 13 LYS HE3 H 1 2.896 0.008 . . . . . . 13 LYS HE3 . 15111 1 109 . 1 1 13 13 LYS CA C 13 58.953 0.029 . . . . . . 13 LYS CA . 15111 1 110 . 1 1 13 13 LYS CB C 13 32.278 0.032 . . . . . . 13 LYS CB . 15111 1 111 . 1 1 13 13 LYS CG C 13 24.384 0.028 . . . . . . 13 LYS CG . 15111 1 112 . 1 1 13 13 LYS CD C 13 29.163 0.014 . . . . . . 13 LYS CD . 15111 1 113 . 1 1 13 13 LYS CE C 13 41.797 0.041 . . . . . . 13 LYS CE . 15111 1 114 . 1 1 13 13 LYS N N 15 119.381 0.046 . . . . . . 13 LYS N . 15111 1 115 . 1 1 14 14 LEU H H 1 7.564 0.006 . . . . . . 14 LEU HN . 15111 1 116 . 1 1 14 14 LEU HA H 1 4.241 0.009 . . . . . . 14 LEU HA . 15111 1 117 . 1 1 14 14 LEU HB2 H 1 1.981 0.009 . . . . . . 14 LEU HB2 . 15111 1 118 . 1 1 14 14 LEU HB3 H 1 1.245 0.011 . . . . . . 14 LEU HB3 . 15111 1 119 . 1 1 14 14 LEU HG H 1 1.735 0.023 . . . . . . 14 LEU HG . 15111 1 120 . 1 1 14 14 LEU HD11 H 1 0.803 0.008 . . . . . . 14 LEU HD1 . 15111 1 121 . 1 1 14 14 LEU HD12 H 1 0.803 0.008 . . . . . . 14 LEU HD1 . 15111 1 122 . 1 1 14 14 LEU HD13 H 1 0.803 0.008 . . . . . . 14 LEU HD1 . 15111 1 123 . 1 1 14 14 LEU HD21 H 1 0.813 0.003 . . . . . . 14 LEU HD2 . 15111 1 124 . 1 1 14 14 LEU HD22 H 1 0.813 0.003 . . . . . . 14 LEU HD2 . 15111 1 125 . 1 1 14 14 LEU HD23 H 1 0.813 0.003 . . . . . . 14 LEU HD2 . 15111 1 126 . 1 1 14 14 LEU CA C 13 57.838 0.014 . . . . . . 14 LEU CA . 15111 1 127 . 1 1 14 14 LEU CB C 13 42.731 0.023 . . . . . . 14 LEU CB . 15111 1 128 . 1 1 14 14 LEU CG C 13 27.901 0.020 . . . . . . 14 LEU CG . 15111 1 129 . 1 1 14 14 LEU CD1 C 13 26.363 0.021 . . . . . . 14 LEU CD1 . 15111 1 130 . 1 1 14 14 LEU CD2 C 13 22.409 0.018 . . . . . . 14 LEU CD2 . 15111 1 131 . 1 1 14 14 LEU N N 15 118.488 0.015 . . . . . . 14 LEU N . 15111 1 132 . 1 1 15 15 MET H H 1 9.001 0.007 . . . . . . 15 MET HN . 15111 1 133 . 1 1 15 15 MET HA H 1 4.789 0.006 . . . . . . 15 MET HA . 15111 1 134 . 1 1 15 15 MET HB2 H 1 2.363 0.015 . . . . . . 15 MET HB2 . 15111 1 135 . 1 1 15 15 MET HB3 H 1 2.115 0.008 . . . . . . 15 MET HB3 . 15111 1 136 . 1 1 15 15 MET HG2 H 1 2.834 0.006 . . . . . . 15 MET HG2 . 15111 1 137 . 1 1 15 15 MET HG3 H 1 2.654 0.011 . . . . . . 15 MET HG3 . 15111 1 138 . 1 1 15 15 MET CA C 13 59.432 0.019 . . . . . . 15 MET CA . 15111 1 139 . 1 1 15 15 MET CB C 13 33.094 0.034 . . . . . . 15 MET CB . 15111 1 140 . 1 1 15 15 MET CG C 13 32.238 0.027 . . . . . . 15 MET CG . 15111 1 141 . 1 1 15 15 MET N N 15 120.191 0.035 . . . . . . 15 MET N . 15111 1 142 . 1 1 16 16 GLY H H 1 8.130 0.008 . . . . . . 16 GLY HN . 15111 1 143 . 1 1 16 16 GLY HA2 H 1 4.038 0.002 . . . . . . 16 GLY HA2 . 15111 1 144 . 1 1 16 16 GLY HA3 H 1 4.006 0.031 . . . . . . 16 GLY HA3 . 15111 1 145 . 1 1 16 16 GLY CA C 13 46.383 0.038 . . . . . . 16 GLY CA . 15111 1 146 . 1 1 16 16 GLY N N 15 108.132 0.031 . . . . . . 16 GLY N . 15111 1 147 . 1 1 17 17 GLU H H 1 7.327 0.010 . . . . . . 17 GLU HN . 15111 1 148 . 1 1 17 17 GLU HA H 1 4.315 0.011 . . . . . . 17 GLU HA . 15111 1 149 . 1 1 17 17 GLU HB2 H 1 2.392 0.015 . . . . . . 17 GLU HB2 . 15111 1 150 . 1 1 17 17 GLU HB3 H 1 2.322 0.008 . . . . . . 17 GLU HB3 . 15111 1 151 . 1 1 17 17 GLU HG2 H 1 2.666 0.005 . . . . . . 17 GLU HG2 . 15111 1 152 . 1 1 17 17 GLU HG3 H 1 2.307 0.009 . . . . . . 17 GLU HG3 . 15111 1 153 . 1 1 17 17 GLU CA C 13 56.572 0.048 . . . . . . 17 GLU CA . 15111 1 154 . 1 1 17 17 GLU CB C 13 29.591 0.010 . . . . . . 17 GLU CB . 15111 1 155 . 1 1 17 17 GLU CG C 13 36.849 0.003 . . . . . . 17 GLU CG . 15111 1 156 . 1 1 17 17 GLU N N 15 118.892 0.044 . . . . . . 17 GLU N . 15111 1 157 . 1 1 18 18 GLY H H 1 7.848 0.010 . . . . . . 18 GLY HN . 15111 1 158 . 1 1 18 18 GLY HA2 H 1 4.097 0.019 . . . . . . 18 GLY HA2 . 15111 1 159 . 1 1 18 18 GLY HA3 H 1 3.602 0.003 . . . . . . 18 GLY HA3 . 15111 1 160 . 1 1 18 18 GLY CA C 13 44.989 0.010 . . . . . . 18 GLY CA . 15111 1 161 . 1 1 18 18 GLY N N 15 105.596 0.008 . . . . . . 18 GLY N . 15111 1 162 . 1 1 19 19 TYR H H 1 6.828 0.005 . . . . . . 19 TYR HN . 15111 1 163 . 1 1 19 19 TYR HA H 1 4.669 0.011 . . . . . . 19 TYR HA . 15111 1 164 . 1 1 19 19 TYR HB2 H 1 3.063 0.004 . . . . . . 19 TYR HB2 . 15111 1 165 . 1 1 19 19 TYR HB3 H 1 2.287 0.012 . . . . . . 19 TYR HB3 . 15111 1 166 . 1 1 19 19 TYR CA C 13 57.792 0.024 . . . . . . 19 TYR CA . 15111 1 167 . 1 1 19 19 TYR CB C 13 41.425 0.016 . . . . . . 19 TYR CB . 15111 1 168 . 1 1 19 19 TYR N N 15 118.918 0.007 . . . . . . 19 TYR N . 15111 1 169 . 1 1 20 20 ALA H H 1 9.144 0.002 . . . . . . 20 ALA HN . 15111 1 170 . 1 1 20 20 ALA HA H 1 4.484 0.005 . . . . . . 20 ALA HA . 15111 1 171 . 1 1 20 20 ALA HB1 H 1 1.681 0.003 . . . . . . 20 ALA HB . 15111 1 172 . 1 1 20 20 ALA HB2 H 1 1.681 0.003 . . . . . . 20 ALA HB . 15111 1 173 . 1 1 20 20 ALA HB3 H 1 1.681 0.003 . . . . . . 20 ALA HB . 15111 1 174 . 1 1 20 20 ALA CA C 13 51.832 0.012 . . . . . . 20 ALA CA . 15111 1 175 . 1 1 20 20 ALA CB C 13 20.135 0.025 . . . . . . 20 ALA CB . 15111 1 176 . 1 1 20 20 ALA N N 15 124.549 0.014 . . . . . . 20 ALA N . 15111 1 177 . 1 1 21 21 PHE H H 1 9.069 0.007 . . . . . . 21 PHE HN . 15111 1 178 . 1 1 21 21 PHE HA H 1 4.168 0.007 . . . . . . 21 PHE HA . 15111 1 179 . 1 1 21 21 PHE HB2 H 1 3.479 0.007 . . . . . . 21 PHE HB2 . 15111 1 180 . 1 1 21 21 PHE HB3 H 1 2.942 0.005 . . . . . . 21 PHE HB3 . 15111 1 181 . 1 1 21 21 PHE CA C 13 62.494 0.030 . . . . . . 21 PHE CA . 15111 1 182 . 1 1 21 21 PHE CB C 13 39.799 0.013 . . . . . . 21 PHE CB . 15111 1 183 . 1 1 21 21 PHE N N 15 121.857 0.024 . . . . . . 21 PHE N . 15111 1 184 . 1 1 22 22 GLU H H 1 9.367 0.006 . . . . . . 22 GLU HN . 15111 1 185 . 1 1 22 22 GLU HA H 1 3.603 0.011 . . . . . . 22 GLU HA . 15111 1 186 . 1 1 22 22 GLU HB2 H 1 2.050 0.010 . . . . . . 22 GLU HB2 . 15111 1 187 . 1 1 22 22 GLU HB3 H 1 2.023 0.006 . . . . . . 22 GLU HB3 . 15111 1 188 . 1 1 22 22 GLU HG2 H 1 2.491 0.006 . . . . . . 22 GLU HG2 . 15111 1 189 . 1 1 22 22 GLU HG3 H 1 2.464 0.013 . . . . . . 22 GLU HG3 . 15111 1 190 . 1 1 22 22 GLU CA C 13 60.525 0.034 . . . . . . 22 GLU CA . 15111 1 191 . 1 1 22 22 GLU CB C 13 28.792 0.054 . . . . . . 22 GLU CB . 15111 1 192 . 1 1 22 22 GLU N N 15 115.937 0.006 . . . . . . 22 GLU N . 15111 1 193 . 1 1 23 23 GLU H H 1 7.287 0.012 . . . . . . 23 GLU HN . 15111 1 194 . 1 1 23 23 GLU HA H 1 4.051 0.019 . . . . . . 23 GLU HA . 15111 1 195 . 1 1 23 23 GLU HG2 H 1 2.417 0.008 . . . . . . 23 GLU HG2 . 15111 1 196 . 1 1 23 23 GLU HG3 H 1 2.318 0.006 . . . . . . 23 GLU HG3 . 15111 1 197 . 1 1 23 23 GLU CA C 13 59.024 0.040 . . . . . . 23 GLU CA . 15111 1 198 . 1 1 23 23 GLU N N 15 117.730 0.055 . . . . . . 23 GLU N . 15111 1 199 . 1 1 24 24 VAL H H 1 8.299 0.012 . . . . . . 24 VAL HN . 15111 1 200 . 1 1 24 24 VAL HA H 1 3.364 0.006 . . . . . . 24 VAL HA . 15111 1 201 . 1 1 24 24 VAL HB H 1 2.120 0.010 . . . . . . 24 VAL HB . 15111 1 202 . 1 1 24 24 VAL HG11 H 1 1.044 0.012 . . . . . . 24 VAL HG1 . 15111 1 203 . 1 1 24 24 VAL HG12 H 1 1.044 0.012 . . . . . . 24 VAL HG1 . 15111 1 204 . 1 1 24 24 VAL HG13 H 1 1.044 0.012 . . . . . . 24 VAL HG1 . 15111 1 205 . 1 1 24 24 VAL HG21 H 1 0.930 0.007 . . . . . . 24 VAL HG2 . 15111 1 206 . 1 1 24 24 VAL HG22 H 1 0.930 0.007 . . . . . . 24 VAL HG2 . 15111 1 207 . 1 1 24 24 VAL HG23 H 1 0.930 0.007 . . . . . . 24 VAL HG2 . 15111 1 208 . 1 1 24 24 VAL CA C 13 67.234 0.026 . . . . . . 24 VAL CA . 15111 1 209 . 1 1 24 24 VAL CB C 13 31.585 0.028 . . . . . . 24 VAL CB . 15111 1 210 . 1 1 24 24 VAL CG1 C 13 25.033 0.016 . . . . . . 24 VAL CG1 . 15111 1 211 . 1 1 24 24 VAL CG2 C 13 25.590 0.026 . . . . . . 24 VAL CG2 . 15111 1 212 . 1 1 24 24 VAL N N 15 121.790 0.076 . . . . . . 24 VAL N . 15111 1 213 . 1 1 25 25 LYS H H 1 8.420 0.009 . . . . . . 25 LYS HN . 15111 1 214 . 1 1 25 25 LYS HA H 1 3.601 0.009 . . . . . . 25 LYS HA . 15111 1 215 . 1 1 25 25 LYS HB2 H 1 1.457 0.009 . . . . . . 25 LYS HB2 . 15111 1 216 . 1 1 25 25 LYS HB3 H 1 1.207 0.011 . . . . . . 25 LYS HB3 . 15111 1 217 . 1 1 25 25 LYS HG2 H 1 1.177 0.007 . . . . . . 25 LYS HG2 . 15111 1 218 . 1 1 25 25 LYS HG3 H 1 1.134 0.021 . . . . . . 25 LYS HG3 . 15111 1 219 . 1 1 25 25 LYS HD2 H 1 1.475 0.018 . . . . . . 25 LYS HD2 . 15111 1 220 . 1 1 25 25 LYS HD3 H 1 1.412 0.004 . . . . . . 25 LYS HD3 . 15111 1 221 . 1 1 25 25 LYS HE2 H 1 2.864 0.008 . . . . . . 25 LYS HE2 . 15111 1 222 . 1 1 25 25 LYS HE3 H 1 2.690 0.002 . . . . . . 25 LYS HE3 . 15111 1 223 . 1 1 25 25 LYS CA C 13 60.054 0.022 . . . . . . 25 LYS CA . 15111 1 224 . 1 1 25 25 LYS CB C 13 32.142 0.016 . . . . . . 25 LYS CB . 15111 1 225 . 1 1 25 25 LYS CG C 13 24.654 0.021 . . . . . . 25 LYS CG . 15111 1 226 . 1 1 25 25 LYS CD C 13 29.538 0.036 . . . . . . 25 LYS CD . 15111 1 227 . 1 1 25 25 LYS CE C 13 41.607 0.034 . . . . . . 25 LYS CE . 15111 1 228 . 1 1 25 25 LYS N N 15 118.988 0.005 . . . . . . 25 LYS N . 15111 1 229 . 1 1 26 26 ARG H H 1 7.343 0.006 . . . . . . 26 ARG HN . 15111 1 230 . 1 1 26 26 ARG HA H 1 4.121 0.015 . . . . . . 26 ARG HA . 15111 1 231 . 1 1 26 26 ARG HB2 H 1 1.854 0.009 . . . . . . 26 ARG HB2 . 15111 1 232 . 1 1 26 26 ARG HG2 H 1 1.643 0.010 . . . . . . 26 ARG HG2 . 15111 1 233 . 1 1 26 26 ARG HD2 H 1 3.162 0.059 . . . . . . 26 ARG HD2 . 15111 1 234 . 1 1 26 26 ARG HD3 H 1 3.087 0.010 . . . . . . 26 ARG HD3 . 15111 1 235 . 1 1 26 26 ARG CA C 13 58.434 0.035 . . . . . . 26 ARG CA . 15111 1 236 . 1 1 26 26 ARG CB C 13 30.221 0.037 . . . . . . 26 ARG CB . 15111 1 237 . 1 1 26 26 ARG CD C 13 43.253 0.039 . . . . . . 26 ARG CD . 15111 1 238 . 1 1 26 26 ARG N N 15 117.633 0.038 . . . . . . 26 ARG N . 15111 1 239 . 1 1 27 27 ALA H H 1 8.356 0.013 . . . . . . 27 ALA HN . 15111 1 240 . 1 1 27 27 ALA HA H 1 3.935 0.017 . . . . . . 27 ALA HA . 15111 1 241 . 1 1 27 27 ALA HB1 H 1 1.439 0.012 . . . . . . 27 ALA HB . 15111 1 242 . 1 1 27 27 ALA HB2 H 1 1.439 0.012 . . . . . . 27 ALA HB . 15111 1 243 . 1 1 27 27 ALA HB3 H 1 1.439 0.012 . . . . . . 27 ALA HB . 15111 1 244 . 1 1 27 27 ALA CA C 13 55.878 0.024 . . . . . . 27 ALA CA . 15111 1 245 . 1 1 27 27 ALA N N 15 121.394 0.130 . . . . . . 27 ALA N . 15111 1 246 . 1 1 28 28 LEU H H 1 8.409 0.010 . . . . . . 28 LEU HN . 15111 1 247 . 1 1 28 28 LEU HA H 1 3.712 0.011 . . . . . . 28 LEU HA . 15111 1 248 . 1 1 28 28 LEU HB2 H 1 1.717 0.019 . . . . . . 28 LEU HB2 . 15111 1 249 . 1 1 28 28 LEU HB3 H 1 1.615 0.012 . . . . . . 28 LEU HB3 . 15111 1 250 . 1 1 28 28 LEU HG H 1 1.462 0.015 . . . . . . 28 LEU HG . 15111 1 251 . 1 1 28 28 LEU HD11 H 1 0.662 0.011 . . . . . . 28 LEU HD1 . 15111 1 252 . 1 1 28 28 LEU HD12 H 1 0.662 0.011 . . . . . . 28 LEU HD1 . 15111 1 253 . 1 1 28 28 LEU HD13 H 1 0.662 0.011 . . . . . . 28 LEU HD1 . 15111 1 254 . 1 1 28 28 LEU HD21 H 1 0.616 0.010 . . . . . . 28 LEU HD2 . 15111 1 255 . 1 1 28 28 LEU HD22 H 1 0.616 0.010 . . . . . . 28 LEU HD2 . 15111 1 256 . 1 1 28 28 LEU HD23 H 1 0.616 0.010 . . . . . . 28 LEU HD2 . 15111 1 257 . 1 1 28 28 LEU CA C 13 58.415 0.007 . . . . . . 28 LEU CA . 15111 1 258 . 1 1 28 28 LEU CB C 13 41.399 0.014 . . . . . . 28 LEU CB . 15111 1 259 . 1 1 28 28 LEU CD1 C 13 27.416 0.054 . . . . . . 28 LEU CD1 . 15111 1 260 . 1 1 28 28 LEU CD2 C 13 24.477 0.017 . . . . . . 28 LEU CD2 . 15111 1 261 . 1 1 28 28 LEU N N 15 116.403 0.018 . . . . . . 28 LEU N . 15111 1 262 . 1 1 29 29 GLU H H 1 7.714 0.009 . . . . . . 29 GLU HN . 15111 1 263 . 1 1 29 29 GLU HA H 1 4.026 0.024 . . . . . . 29 GLU HA . 15111 1 264 . 1 1 29 29 GLU HB2 H 1 2.254 0.009 . . . . . . 29 GLU HB2 . 15111 1 265 . 1 1 29 29 GLU HB3 H 1 2.071 0.011 . . . . . . 29 GLU HB3 . 15111 1 266 . 1 1 29 29 GLU CB C 13 29.558 0.053 . . . . . . 29 GLU CB . 15111 1 267 . 1 1 29 29 GLU N N 15 119.808 0.007 . . . . . . 29 GLU N . 15111 1 268 . 1 1 30 30 ILE H H 1 8.278 0.010 . . . . . . 30 ILE HN . 15111 1 269 . 1 1 30 30 ILE HA H 1 3.645 0.018 . . . . . . 30 ILE HA . 15111 1 270 . 1 1 30 30 ILE HB H 1 1.824 0.007 . . . . . . 30 ILE HB . 15111 1 271 . 1 1 30 30 ILE HG12 H 1 1.810 0.007 . . . . . . 30 ILE HG12 . 15111 1 272 . 1 1 30 30 ILE HG13 H 1 1.032 0.011 . . . . . . 30 ILE HG13 . 15111 1 273 . 1 1 30 30 ILE HG21 H 1 0.810 0.007 . . . . . . 30 ILE HG2 . 15111 1 274 . 1 1 30 30 ILE HG22 H 1 0.810 0.007 . . . . . . 30 ILE HG2 . 15111 1 275 . 1 1 30 30 ILE HG23 H 1 0.810 0.007 . . . . . . 30 ILE HG2 . 15111 1 276 . 1 1 30 30 ILE HD11 H 1 0.734 0.014 . . . . . . 30 ILE HD1 . 15111 1 277 . 1 1 30 30 ILE HD12 H 1 0.734 0.014 . . . . . . 30 ILE HD1 . 15111 1 278 . 1 1 30 30 ILE HD13 H 1 0.734 0.014 . . . . . . 30 ILE HD1 . 15111 1 279 . 1 1 30 30 ILE CA C 13 65.018 0.020 . . . . . . 30 ILE CA . 15111 1 280 . 1 1 30 30 ILE CB C 13 38.325 0.011 . . . . . . 30 ILE CB . 15111 1 281 . 1 1 30 30 ILE CG1 C 13 29.110 0.013 . . . . . . 30 ILE CG1 . 15111 1 282 . 1 1 30 30 ILE CG2 C 13 18.481 0.034 . . . . . . 30 ILE CG2 . 15111 1 283 . 1 1 30 30 ILE CD1 C 13 14.453 0.020 . . . . . . 30 ILE CD1 . 15111 1 284 . 1 1 30 30 ILE N N 15 121.997 0.046 . . . . . . 30 ILE N . 15111 1 285 . 1 1 31 31 ALA H H 1 7.998 0.004 . . . . . . 31 ALA HN . 15111 1 286 . 1 1 31 31 ALA HA H 1 4.140 0.003 . . . . . . 31 ALA HA . 15111 1 287 . 1 1 31 31 ALA HB1 H 1 1.504 0.005 . . . . . . 31 ALA HB . 15111 1 288 . 1 1 31 31 ALA HB2 H 1 1.504 0.005 . . . . . . 31 ALA HB . 15111 1 289 . 1 1 31 31 ALA HB3 H 1 1.504 0.005 . . . . . . 31 ALA HB . 15111 1 290 . 1 1 31 31 ALA CA C 13 52.041 0.019 . . . . . . 31 ALA CA . 15111 1 291 . 1 1 31 31 ALA CB C 13 20.710 0.017 . . . . . . 31 ALA CB . 15111 1 292 . 1 1 31 31 ALA N N 15 116.872 0.064 . . . . . . 31 ALA N . 15111 1 293 . 1 1 32 32 GLN H H 1 7.892 0.008 . . . . . . 32 GLN HN . 15111 1 294 . 1 1 32 32 GLN HA H 1 3.908 0.009 . . . . . . 32 GLN HA . 15111 1 295 . 1 1 32 32 GLN HB2 H 1 2.154 0.012 . . . . . . 32 GLN HB2 . 15111 1 296 . 1 1 32 32 GLN HG2 H 1 2.272 0.015 . . . . . . 32 GLN HG2 . 15111 1 297 . 1 1 32 32 GLN CA C 13 56.958 0.002 . . . . . . 32 GLN CA . 15111 1 298 . 1 1 32 32 GLN CB C 13 25.347 0.024 . . . . . . 32 GLN CB . 15111 1 299 . 1 1 32 32 GLN CG C 13 33.778 0.005 . . . . . . 32 GLN CG . 15111 1 300 . 1 1 32 32 GLN N N 15 117.996 0.040 . . . . . . 32 GLN N . 15111 1 301 . 1 1 33 33 ASN H H 1 9.245 0.010 . . . . . . 33 ASN HN . 15111 1 302 . 1 1 33 33 ASN HA H 1 4.045 0.008 . . . . . . 33 ASN HA . 15111 1 303 . 1 1 33 33 ASN HB2 H 1 3.077 0.007 . . . . . . 33 ASN HB2 . 15111 1 304 . 1 1 33 33 ASN HB3 H 1 2.795 0.003 . . . . . . 33 ASN HB3 . 15111 1 305 . 1 1 33 33 ASN CA C 13 54.788 0.018 . . . . . . 33 ASN CA . 15111 1 306 . 1 1 33 33 ASN CB C 13 36.782 0.007 . . . . . . 33 ASN CB . 15111 1 307 . 1 1 33 33 ASN N N 15 108.511 0.029 . . . . . . 33 ASN N . 15111 1 308 . 1 1 34 34 ASN H H 1 7.247 0.007 . . . . . . 34 ASN HN . 15111 1 309 . 1 1 34 34 ASN HA H 1 4.769 0.014 . . . . . . 34 ASN HA . 15111 1 310 . 1 1 34 34 ASN HB2 H 1 3.065 0.032 . . . . . . 34 ASN HB2 . 15111 1 311 . 1 1 34 34 ASN HB3 H 1 2.776 0.005 . . . . . . 34 ASN HB3 . 15111 1 312 . 1 1 34 34 ASN CA C 13 53.053 0.023 . . . . . . 34 ASN CA . 15111 1 313 . 1 1 34 34 ASN CB C 13 39.082 0.026 . . . . . . 34 ASN CB . 15111 1 314 . 1 1 34 34 ASN N N 15 118.826 0.042 . . . . . . 34 ASN N . 15111 1 315 . 1 1 35 35 VAL H H 1 8.860 0.006 . . . . . . 35 VAL HN . 15111 1 316 . 1 1 35 35 VAL HA H 1 3.416 0.006 . . . . . . 35 VAL HA . 15111 1 317 . 1 1 35 35 VAL HB H 1 1.987 0.007 . . . . . . 35 VAL HB . 15111 1 318 . 1 1 35 35 VAL HG11 H 1 1.074 0.011 . . . . . . 35 VAL HG1 . 15111 1 319 . 1 1 35 35 VAL HG12 H 1 1.074 0.011 . . . . . . 35 VAL HG1 . 15111 1 320 . 1 1 35 35 VAL HG13 H 1 1.074 0.011 . . . . . . 35 VAL HG1 . 15111 1 321 . 1 1 35 35 VAL HG21 H 1 0.959 0.008 . . . . . . 35 VAL HG2 . 15111 1 322 . 1 1 35 35 VAL HG22 H 1 0.959 0.008 . . . . . . 35 VAL HG2 . 15111 1 323 . 1 1 35 35 VAL HG23 H 1 0.959 0.008 . . . . . . 35 VAL HG2 . 15111 1 324 . 1 1 35 35 VAL CA C 13 66.632 0.025 . . . . . . 35 VAL CA . 15111 1 325 . 1 1 35 35 VAL CB C 13 32.274 0.050 . . . . . . 35 VAL CB . 15111 1 326 . 1 1 35 35 VAL CG1 C 13 23.320 0.008 . . . . . . 35 VAL CG1 . 15111 1 327 . 1 1 35 35 VAL CG2 C 13 21.175 0.034 . . . . . . 35 VAL CG2 . 15111 1 328 . 1 1 35 35 VAL N N 15 128.291 0.018 . . . . . . 35 VAL N . 15111 1 329 . 1 1 36 36 GLU H H 1 7.951 0.008 . . . . . . 36 GLU HN . 15111 1 330 . 1 1 36 36 GLU HA H 1 4.041 0.010 . . . . . . 36 GLU HA . 15111 1 331 . 1 1 36 36 GLU HB2 H 1 2.200 0.017 . . . . . . 36 GLU HB2 . 15111 1 332 . 1 1 36 36 GLU HB3 H 1 2.100 0.012 . . . . . . 36 GLU HB3 . 15111 1 333 . 1 1 36 36 GLU HG2 H 1 2.341 0.006 . . . . . . 36 GLU HG2 . 15111 1 334 . 1 1 36 36 GLU CA C 13 59.621 0.028 . . . . . . 36 GLU CA . 15111 1 335 . 1 1 36 36 GLU CB C 13 29.262 0.027 . . . . . . 36 GLU CB . 15111 1 336 . 1 1 36 36 GLU CG C 13 36.910 0.020 . . . . . . 36 GLU CG . 15111 1 337 . 1 1 36 36 GLU N N 15 119.453 0.076 . . . . . . 36 GLU N . 15111 1 338 . 1 1 37 37 VAL H H 1 7.748 0.004 . . . . . . 37 VAL HN . 15111 1 339 . 1 1 37 37 VAL HA H 1 3.755 0.007 . . . . . . 37 VAL HA . 15111 1 340 . 1 1 37 37 VAL HB H 1 1.943 0.008 . . . . . . 37 VAL HB . 15111 1 341 . 1 1 37 37 VAL HG11 H 1 1.057 0.009 . . . . . . 37 VAL HG1 . 15111 1 342 . 1 1 37 37 VAL HG12 H 1 1.057 0.009 . . . . . . 37 VAL HG1 . 15111 1 343 . 1 1 37 37 VAL HG13 H 1 1.057 0.009 . . . . . . 37 VAL HG1 . 15111 1 344 . 1 1 37 37 VAL HG21 H 1 0.980 0.021 . . . . . . 37 VAL HG2 . 15111 1 345 . 1 1 37 37 VAL HG22 H 1 0.980 0.021 . . . . . . 37 VAL HG2 . 15111 1 346 . 1 1 37 37 VAL HG23 H 1 0.980 0.021 . . . . . . 37 VAL HG2 . 15111 1 347 . 1 1 37 37 VAL CA C 13 65.831 0.016 . . . . . . 37 VAL CA . 15111 1 348 . 1 1 37 37 VAL CB C 13 32.499 0.060 . . . . . . 37 VAL CB . 15111 1 349 . 1 1 37 37 VAL CG1 C 13 22.079 0.028 . . . . . . 37 VAL CG1 . 15111 1 350 . 1 1 37 37 VAL N N 15 121.119 0.037 . . . . . . 37 VAL N . 15111 1 351 . 1 1 38 38 ALA H H 1 8.423 0.015 . . . . . . 38 ALA HN . 15111 1 352 . 1 1 38 38 ALA HA H 1 3.736 0.010 . . . . . . 38 ALA HA . 15111 1 353 . 1 1 38 38 ALA HB1 H 1 1.164 0.006 . . . . . . 38 ALA HB . 15111 1 354 . 1 1 38 38 ALA HB2 H 1 1.164 0.006 . . . . . . 38 ALA HB . 15111 1 355 . 1 1 38 38 ALA HB3 H 1 1.164 0.006 . . . . . . 38 ALA HB . 15111 1 356 . 1 1 38 38 ALA CA C 13 55.559 0.013 . . . . . . 38 ALA CA . 15111 1 357 . 1 1 38 38 ALA CB C 13 18.305 0.024 . . . . . . 38 ALA CB . 15111 1 358 . 1 1 38 38 ALA N N 15 122.196 0.042 . . . . . . 38 ALA N . 15111 1 359 . 1 1 39 39 ARG H H 1 8.594 0.006 . . . . . . 39 ARG HN . 15111 1 360 . 1 1 39 39 ARG HA H 1 3.573 0.009 . . . . . . 39 ARG HA . 15111 1 361 . 1 1 39 39 ARG HB2 H 1 1.948 0.016 . . . . . . 39 ARG HB2 . 15111 1 362 . 1 1 39 39 ARG HG2 H 1 1.525 0.009 . . . . . . 39 ARG HG2 . 15111 1 363 . 1 1 39 39 ARG HD2 H 1 3.307 0.024 . . . . . . 39 ARG HD2 . 15111 1 364 . 1 1 39 39 ARG HD3 H 1 3.230 0.010 . . . . . . 39 ARG HD3 . 15111 1 365 . 1 1 39 39 ARG CA C 13 60.382 0.051 . . . . . . 39 ARG CA . 15111 1 366 . 1 1 39 39 ARG CB C 13 30.059 0.031 . . . . . . 39 ARG CB . 15111 1 367 . 1 1 39 39 ARG CG C 13 29.297 0.016 . . . . . . 39 ARG CG . 15111 1 368 . 1 1 39 39 ARG CD C 13 43.050 0.012 . . . . . . 39 ARG CD . 15111 1 369 . 1 1 39 39 ARG N N 15 117.431 0.027 . . . . . . 39 ARG N . 15111 1 370 . 1 1 40 40 SER H H 1 7.708 0.010 . . . . . . 40 SER HN . 15111 1 371 . 1 1 40 40 SER HA H 1 4.162 0.022 . . . . . . 40 SER HA . 15111 1 372 . 1 1 40 40 SER HB2 H 1 4.200 0.012 . . . . . . 40 SER HB2 . 15111 1 373 . 1 1 40 40 SER HB3 H 1 3.888 0.006 . . . . . . 40 SER HB3 . 15111 1 374 . 1 1 40 40 SER CB C 13 63.243 0.022 . . . . . . 40 SER CB . 15111 1 375 . 1 1 40 40 SER N N 15 115.289 0.022 . . . . . . 40 SER N . 15111 1 376 . 1 1 42 42 LEU H H 1 7.965 0.006 . . . . . . 42 LEU HN . 15111 1 377 . 1 1 42 42 LEU HA H 1 3.719 0.007 . . . . . . 42 LEU HA . 15111 1 378 . 1 1 42 42 LEU HB2 H 1 1.290 0.023 . . . . . . 42 LEU HB2 . 15111 1 379 . 1 1 42 42 LEU HB3 H 1 0.208 0.016 . . . . . . 42 LEU HB3 . 15111 1 380 . 1 1 42 42 LEU HG H 1 0.305 0.007 . . . . . . 42 LEU HG . 15111 1 381 . 1 1 42 42 LEU HD11 H 1 1.331 0.003 . . . . . . 42 LEU HD1 . 15111 1 382 . 1 1 42 42 LEU HD12 H 1 1.331 0.003 . . . . . . 42 LEU HD1 . 15111 1 383 . 1 1 42 42 LEU HD13 H 1 1.331 0.003 . . . . . . 42 LEU HD1 . 15111 1 384 . 1 1 42 42 LEU HD21 H 1 0.473 0.007 . . . . . . 42 LEU HD2 . 15111 1 385 . 1 1 42 42 LEU HD22 H 1 0.473 0.007 . . . . . . 42 LEU HD2 . 15111 1 386 . 1 1 42 42 LEU HD23 H 1 0.473 0.007 . . . . . . 42 LEU HD2 . 15111 1 387 . 1 1 42 42 LEU CA C 13 57.387 0.005 . . . . . . 42 LEU CA . 15111 1 388 . 1 1 42 42 LEU CB C 13 39.959 0.024 . . . . . . 42 LEU CB . 15111 1 389 . 1 1 42 42 LEU CG C 13 27.442 0.027 . . . . . . 42 LEU CG . 15111 1 390 . 1 1 42 42 LEU CD1 C 13 26.699 0.045 . . . . . . 42 LEU CD1 . 15111 1 391 . 1 1 42 42 LEU CD2 C 13 22.553 0.017 . . . . . . 42 LEU CD2 . 15111 1 392 . 1 1 42 42 LEU N N 15 120.416 0.056 . . . . . . 42 LEU N . 15111 1 393 . 1 1 43 43 ARG H H 1 8.115 0.005 . . . . . . 43 ARG HN . 15111 1 394 . 1 1 43 43 ARG HA H 1 4.120 0.011 . . . . . . 43 ARG HA . 15111 1 395 . 1 1 43 43 ARG HB2 H 1 1.863 0.015 . . . . . . 43 ARG HB2 . 15111 1 396 . 1 1 43 43 ARG HG2 H 1 1.641 0.025 . . . . . . 43 ARG HG2 . 15111 1 397 . 1 1 43 43 ARG HD2 H 1 3.195 0.013 . . . . . . 43 ARG HD2 . 15111 1 398 . 1 1 43 43 ARG HD3 H 1 3.140 0.047 . . . . . . 43 ARG HD3 . 15111 1 399 . 1 1 43 43 ARG CA C 13 58.362 0.000 . . . . . . 43 ARG CA . 15111 1 400 . 1 1 43 43 ARG CB C 13 30.765 0.014 . . . . . . 43 ARG CB . 15111 1 401 . 1 1 43 43 ARG CD C 13 43.469 0.184 . . . . . . 43 ARG CD . 15111 1 402 . 1 1 43 43 ARG N N 15 116.504 0.037 . . . . . . 43 ARG N . 15111 1 403 . 1 1 44 44 GLU H H 1 7.510 0.007 . . . . . . 44 GLU HN . 15111 1 404 . 1 1 44 44 GLU HB2 H 1 1.847 0.000 . . . . . . 44 GLU HB2 . 15111 1 405 . 1 1 44 44 GLU N N 15 117.040 0.008 . . . . . . 44 GLU N . 15111 1 406 . 1 1 46 46 ALA H H 1 8.012 0.002 . . . . . . 46 ALA HN . 15111 1 407 . 1 1 46 46 ALA HA H 1 4.561 0.009 . . . . . . 46 ALA HA . 15111 1 408 . 1 1 46 46 ALA HB1 H 1 1.510 0.007 . . . . . . 46 ALA HB1 . 15111 1 409 . 1 1 46 46 ALA HB2 H 1 1.510 0.007 . . . . . . 46 ALA HB1 . 15111 1 410 . 1 1 46 46 ALA HB3 H 1 1.510 0.007 . . . . . . 46 ALA HB1 . 15111 1 411 . 1 1 46 46 ALA CA C 13 52.646 0.029 . . . . . . 46 ALA CA . 15111 1 412 . 1 1 46 46 ALA CB C 13 19.810 0.015 . . . . . . 46 ALA CB . 15111 1 413 . 1 1 46 46 ALA N N 15 123.705 0.001 . . . . . . 46 ALA N . 15111 1 stop_ save_