################################### # 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 16695 _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 $chemical_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 'Proton and nitrogen chemical shifts have been corrected (46 Hz) to account for TROSY sequences used.' _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' . . . 16695 1 2 '3D HNCO' . . . 16695 1 3 '3D HN(CA)CO' . . . 16695 1 4 '3D HNCA' . . . 16695 1 5 '3D HN(CO)CA' . . . 16695 1 6 '3D HN(COCA)CB' . . . 16695 1 7 '3D HN(CA)CB' . . . 16695 1 8 '3D 1H-15N NOESY' . . . 16695 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16695 1 2 $SPARKY . . 16695 1 3 $CARA . . 16695 1 4 $AutoLink . . 16695 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 6 6 GLY H H 1 8.342 0.005 . 1 1.00 . . . 52 GLY H . 16695 1 2 . 1 1 6 6 GLY C C 13 173.877 0.015 . 1 1.00 . . . 52 GLY C . 16695 1 3 . 1 1 6 6 GLY CA C 13 44.714 0.070 . 1 1.00 . . . 52 GLY CA . 16695 1 4 . 1 1 6 6 GLY N N 15 109.961 0.009 . 1 1.00 . . . 52 GLY N . 16695 1 5 . 1 1 7 7 GLU H H 1 8.296 0.005 . 1 1.00 . . . 53 GLU H . 16695 1 6 . 1 1 7 7 GLU C C 13 176.527 0.014 . 1 1.00 . . . 53 GLU C . 16695 1 7 . 1 1 7 7 GLU CA C 13 55.907 0.013 . 1 1.00 . . . 53 GLU CA . 16695 1 8 . 1 1 7 7 GLU CB C 13 29.006 0.097 . 1 1.00 . . . 53 GLU CB . 16695 1 9 . 1 1 7 7 GLU N N 15 120.571 0.028 . 1 1.00 . . . 53 GLU N . 16695 1 10 . 1 1 8 8 VAL H H 1 8.151 0.005 . 1 1.00 . . . 54 VAL H . 16695 1 11 . 1 1 8 8 VAL C C 13 175.693 0.029 . 1 1.00 . . . 54 VAL C . 16695 1 12 . 1 1 8 8 VAL CA C 13 61.640 0.045 . 1 1.00 . . . 54 VAL CA . 16695 1 13 . 1 1 8 8 VAL CB C 13 31.914 0.016 . 1 1.00 . . . 54 VAL CB . 16695 1 14 . 1 1 8 8 VAL N N 15 120.419 0.030 . 1 1.00 . . . 54 VAL N . 16695 1 15 . 1 1 9 9 ASP H H 1 8.370 0.005 . 1 1.00 . . . 55 ASP H . 16695 1 16 . 1 1 9 9 ASP C C 13 175.752 0.010 . 1 1.00 . . . 55 ASP C . 16695 1 17 . 1 1 9 9 ASP CA C 13 53.836 0.013 . 1 1.00 . . . 55 ASP CA . 16695 1 18 . 1 1 9 9 ASP CB C 13 40.379 0.010 . 1 1.00 . . . 55 ASP CB . 16695 1 19 . 1 1 9 9 ASP N N 15 124.042 0.034 . 1 1.00 . . . 55 ASP N . 16695 1 20 . 1 1 10 10 SER H H 1 8.158 0.005 . 1 1.00 . . . 56 SER H . 16695 1 21 . 1 1 10 10 SER C C 13 174.068 0.010 . 1 1.00 . . . 56 SER C . 16695 1 22 . 1 1 10 10 SER CA C 13 57.201 0.014 . 1 1.00 . . . 56 SER CA . 16695 1 23 . 1 1 10 10 SER CB C 13 62.921 0.010 . 1 1.00 . . . 56 SER CB . 16695 1 24 . 1 1 10 10 SER N N 15 116.512 0.009 . 1 1.00 . . . 56 SER N . 16695 1 25 . 1 1 11 11 SER H H 1 8.218 0.005 . 1 1.00 . . . 57 SER H . 16695 1 26 . 1 1 11 11 SER C C 13 174.127 0.010 . 1 1.00 . . . 57 SER C . 16695 1 27 . 1 1 11 11 SER CA C 13 57.724 0.010 . 1 1.00 . . . 57 SER CA . 16695 1 28 . 1 1 11 11 SER CB C 13 62.277 0.010 . 1 1.00 . . . 57 SER CB . 16695 1 29 . 1 1 11 11 SER N N 15 118.121 0.008 . 1 1.00 . . . 57 SER N . 16695 1 30 . 1 1 12 12 PRO C C 13 177.507 0.022 . 1 1.00 . . . 58 PRO C . 16695 1 31 . 1 1 12 12 PRO CA C 13 64.893 0.021 . 1 1.00 . . . 58 PRO CA . 16695 1 32 . 1 1 12 12 PRO CB C 13 30.820 0.084 . 1 1.00 . . . 58 PRO CB . 16695 1 33 . 1 1 13 13 GLY H H 1 8.442 0.005 . 1 1.00 . . . 59 GLY H . 16695 1 34 . 1 1 13 13 GLY C C 13 174.645 0.010 . 1 1.00 . . . 59 GLY C . 16695 1 35 . 1 1 13 13 GLY CA C 13 45.708 0.043 . 1 1.00 . . . 59 GLY CA . 16695 1 36 . 1 1 13 13 GLY N N 15 105.599 0.042 . 1 1.00 . . . 59 GLY N . 16695 1 37 . 1 1 14 14 ILE H H 1 6.819 0.005 . 1 1.00 . . . 60 ILE H . 16695 1 38 . 1 1 14 14 ILE C C 13 174.957 0.059 . 1 1.00 . . . 60 ILE C . 16695 1 39 . 1 1 14 14 ILE CA C 13 61.537 0.013 . 1 1.00 . . . 60 ILE CA . 16695 1 40 . 1 1 14 14 ILE CB C 13 37.249 0.065 . 1 1.00 . . . 60 ILE CB . 16695 1 41 . 1 1 14 14 ILE N N 15 120.049 0.008 . 1 1.00 . . . 60 ILE N . 16695 1 42 . 1 1 15 15 TRP H H 1 8.824 0.005 . 1 1.00 . . . 61 TRP H . 16695 1 43 . 1 1 15 15 TRP C C 13 175.083 0.054 . 1 1.00 . . . 61 TRP C . 16695 1 44 . 1 1 15 15 TRP CA C 13 55.389 0.013 . 1 1.00 . . . 61 TRP CA . 16695 1 45 . 1 1 15 15 TRP CB C 13 31.314 0.010 . 1 1.00 . . . 61 TRP CB . 16695 1 46 . 1 1 15 15 TRP N N 15 127.817 0.008 . 1 1.00 . . . 61 TRP N . 16695 1 47 . 1 1 16 16 GLN H H 1 9.245 0.005 . 1 1.00 . . . 62 GLN H . 16695 1 48 . 1 1 16 16 GLN C C 13 174.978 0.018 . 1 1.00 . . . 62 GLN C . 16695 1 49 . 1 1 16 16 GLN CA C 13 53.698 0.025 . 1 1.00 . . . 62 GLN CA . 16695 1 50 . 1 1 16 16 GLN CB C 13 30.565 0.069 . 1 1.00 . . . 62 GLN CB . 16695 1 51 . 1 1 16 16 GLN N N 15 119.979 0.009 . 1 1.00 . . . 62 GLN N . 16695 1 52 . 1 1 17 17 LEU H H 1 8.109 0.005 . 1 1.00 . . . 63 LEU H . 16695 1 53 . 1 1 17 17 LEU C C 13 175.770 0.069 . 1 1.00 . . . 63 LEU C . 16695 1 54 . 1 1 17 17 LEU CA C 13 53.395 0.127 . 1 1.00 . . . 63 LEU CA . 16695 1 55 . 1 1 17 17 LEU CB C 13 45.577 0.064 . 1 1.00 . . . 63 LEU CB . 16695 1 56 . 1 1 17 17 LEU N N 15 121.704 0.025 . 1 1.00 . . . 63 LEU N . 16695 1 57 . 1 1 18 18 ASP H H 1 8.948 0.005 . 1 1.00 . . . 64 ASP H . 16695 1 58 . 1 1 18 18 ASP C C 13 174.219 0.026 . 1 1.00 . . . 64 ASP C . 16695 1 59 . 1 1 18 18 ASP CA C 13 53.352 0.032 . 1 1.00 . . . 64 ASP CA . 16695 1 60 . 1 1 18 18 ASP CB C 13 44.141 0.010 . 1 1.00 . . . 64 ASP CB . 16695 1 61 . 1 1 18 18 ASP N N 15 114.971 0.009 . 1 1.00 . . . 64 ASP N . 16695 1 62 . 1 1 19 19 CYS H H 1 8.006 0.005 . 1 1.00 . . . 65 CYS H . 16695 1 63 . 1 1 19 19 CYS C C 13 174.425 0.049 . 1 1.00 . . . 65 CYS C . 16695 1 64 . 1 1 19 19 CYS CA C 13 57.330 0.058 . 1 1.00 . . . 65 CYS CA . 16695 1 65 . 1 1 19 19 CYS CB C 13 30.138 0.070 . 1 1.00 . . . 65 CYS CB . 16695 1 66 . 1 1 19 19 CYS N N 15 115.577 0.049 . 1 1.00 . . . 65 CYS N . 16695 1 67 . 1 1 20 20 THR H H 1 9.284 0.005 . 1 1.00 . . . 66 THR H . 16695 1 68 . 1 1 20 20 THR C C 13 171.158 0.015 . 1 1.00 . . . 66 THR C . 16695 1 69 . 1 1 20 20 THR CA C 13 59.919 0.013 . 1 1.00 . . . 66 THR CA . 16695 1 70 . 1 1 20 20 THR CB C 13 69.787 0.111 . 1 1.00 . . . 66 THR CB . 16695 1 71 . 1 1 20 20 THR N N 15 120.112 0.008 . 1 1.00 . . . 66 THR N . 16695 1 72 . 1 1 21 21 HIS H H 1 8.014 0.005 . 1 1.00 . . . 67 HIS H . 16695 1 73 . 1 1 21 21 HIS C C 13 174.709 0.075 . 1 1.00 . . . 67 HIS C . 16695 1 74 . 1 1 21 21 HIS CA C 13 54.858 0.029 . 1 1.00 . . . 67 HIS CA . 16695 1 75 . 1 1 21 21 HIS CB C 13 31.913 0.017 . 1 1.00 . . . 67 HIS CB . 16695 1 76 . 1 1 21 21 HIS N N 15 121.458 0.008 . 1 1.00 . . . 67 HIS N . 16695 1 77 . 1 1 22 22 LEU H H 1 8.289 0.005 . 1 1.00 . . . 68 LEU H . 16695 1 78 . 1 1 22 22 LEU C C 13 175.202 0.048 . 1 1.00 . . . 68 LEU C . 16695 1 79 . 1 1 22 22 LEU CA C 13 54.794 0.054 . 1 1.00 . . . 68 LEU CA . 16695 1 80 . 1 1 22 22 LEU CB C 13 45.612 0.070 . 1 1.00 . . . 68 LEU CB . 16695 1 81 . 1 1 22 22 LEU N N 15 123.516 0.008 . 1 1.00 . . . 68 LEU N . 16695 1 82 . 1 1 23 23 GLU H H 1 9.244 0.005 . 1 1.00 . . . 69 GLU H . 16695 1 83 . 1 1 23 23 GLU C C 13 175.914 0.048 . 1 1.00 . . . 69 GLU C . 16695 1 84 . 1 1 23 23 GLU CA C 13 56.489 0.013 . 1 1.00 . . . 69 GLU CA . 16695 1 85 . 1 1 23 23 GLU CB C 13 26.599 0.061 . 1 1.00 . . . 69 GLU CB . 16695 1 86 . 1 1 23 23 GLU N N 15 121.069 0.017 . 1 1.00 . . . 69 GLU N . 16695 1 87 . 1 1 24 24 GLY H H 1 8.725 0.005 . 1 1.00 . . . 70 GLY H . 16695 1 88 . 1 1 24 24 GLY C C 13 174.192 0.010 . 1 1.00 . . . 70 GLY C . 16695 1 89 . 1 1 24 24 GLY CA C 13 45.087 0.029 . 1 1.00 . . . 70 GLY CA . 16695 1 90 . 1 1 24 24 GLY N N 15 104.823 0.008 . 1 1.00 . . . 70 GLY N . 16695 1 91 . 1 1 25 25 LYS H H 1 8.298 0.005 . 1 1.00 . . . 71 LYS H . 16695 1 92 . 1 1 25 25 LYS C C 13 174.780 0.014 . 1 1.00 . . . 71 LYS C . 16695 1 93 . 1 1 25 25 LYS CA C 13 53.512 0.013 . 1 1.00 . . . 71 LYS CA . 16695 1 94 . 1 1 25 25 LYS CB C 13 32.957 0.076 . 1 1.00 . . . 71 LYS CB . 16695 1 95 . 1 1 25 25 LYS N N 15 121.458 0.009 . 1 1.00 . . . 71 LYS N . 16695 1 96 . 1 1 26 26 VAL H H 1 8.474 0.005 . 1 1.00 . . . 72 VAL H . 16695 1 97 . 1 1 26 26 VAL C C 13 173.714 0.048 . 1 1.00 . . . 72 VAL C . 16695 1 98 . 1 1 26 26 VAL CA C 13 60.975 0.017 . 1 1.00 . . . 72 VAL CA . 16695 1 99 . 1 1 26 26 VAL CB C 13 31.240 0.010 . 1 1.00 . . . 72 VAL CB . 16695 1 100 . 1 1 26 26 VAL N N 15 120.769 0.060 . 1 1.00 . . . 72 VAL N . 16695 1 101 . 1 1 27 27 ILE H H 1 8.674 0.007 . 1 1.00 . . . 73 ILE H . 16695 1 102 . 1 1 27 27 ILE C C 13 174.660 0.022 . 1 1.00 . . . 73 ILE C . 16695 1 103 . 1 1 27 27 ILE CA C 13 59.011 0.015 . 1 1.00 . . . 73 ILE CA . 16695 1 104 . 1 1 27 27 ILE CB C 13 38.539 0.010 . 1 1.00 . . . 73 ILE CB . 16695 1 105 . 1 1 27 27 ILE N N 15 125.548 0.031 . 1 1.00 . . . 73 ILE N . 16695 1 106 . 1 1 28 28 LEU H H 1 8.569 0.005 . 1 1.00 . . . 74 LEU H . 16695 1 107 . 1 1 28 28 LEU CA C 13 53.566 0.010 . 1 1.00 . . . 74 LEU CA . 16695 1 108 . 1 1 28 28 LEU CB C 13 41.635 0.010 . 1 1.00 . . . 74 LEU CB . 16695 1 109 . 1 1 28 28 LEU N N 15 130.577 0.009 . 1 1.00 . . . 74 LEU N . 16695 1 110 . 1 1 29 29 VAL C C 13 173.431 0.022 . 1 1.00 . . . 75 VAL C . 16695 1 111 . 1 1 29 29 VAL CA C 13 60.562 0.017 . 1 1.00 . . . 75 VAL CA . 16695 1 112 . 1 1 29 29 VAL CB C 13 33.820 0.010 . 1 1.00 . . . 75 VAL CB . 16695 1 113 . 1 1 30 30 ALA H H 1 9.487 0.005 . 1 1.00 . . . 76 ALA H . 16695 1 114 . 1 1 30 30 ALA C C 13 175.271 0.010 . 1 1.00 . . . 76 ALA C . 16695 1 115 . 1 1 30 30 ALA CA C 13 49.352 0.043 . 1 1.00 . . . 76 ALA CA . 16695 1 116 . 1 1 30 30 ALA CB C 13 22.762 0.010 . 1 1.00 . . . 76 ALA CB . 16695 1 117 . 1 1 30 30 ALA N N 15 127.240 0.008 . 1 1.00 . . . 76 ALA N . 16695 1 118 . 1 1 31 31 VAL H H 1 9.504 0.005 . 1 1.00 . . . 77 VAL H . 16695 1 119 . 1 1 31 31 VAL C C 13 174.142 0.022 . 1 1.00 . . . 77 VAL C . 16695 1 120 . 1 1 31 31 VAL CA C 13 58.435 0.022 . 1 1.00 . . . 77 VAL CA . 16695 1 121 . 1 1 31 31 VAL CB C 13 34.593 0.070 . 1 1.00 . . . 77 VAL CB . 16695 1 122 . 1 1 31 31 VAL N N 15 118.556 0.008 . 1 1.00 . . . 77 VAL N . 16695 1 123 . 1 1 32 32 HIS H H 1 8.836 0.005 . 1 1.00 . . . 78 HIS H . 16695 1 124 . 1 1 32 32 HIS C C 13 175.374 0.016 . 1 1.00 . . . 78 HIS C . 16695 1 125 . 1 1 32 32 HIS CA C 13 55.777 0.013 . 1 1.00 . . . 78 HIS CA . 16695 1 126 . 1 1 32 32 HIS CB C 13 27.882 0.056 . 1 1.00 . . . 78 HIS CB . 16695 1 127 . 1 1 32 32 HIS N N 15 131.413 0.009 . 1 1.00 . . . 78 HIS N . 16695 1 128 . 1 1 33 33 VAL H H 1 6.690 0.005 . 1 1.00 . . . 79 VAL H . 16695 1 129 . 1 1 33 33 VAL C C 13 176.986 0.016 . 1 1.00 . . . 79 VAL C . 16695 1 130 . 1 1 33 33 VAL CA C 13 66.416 0.043 . 1 1.00 . . . 79 VAL CA . 16695 1 131 . 1 1 33 33 VAL CB C 13 30.010 0.040 . 1 1.00 . . . 79 VAL CB . 16695 1 132 . 1 1 33 33 VAL N N 15 127.628 0.008 . 1 1.00 . . . 79 VAL N . 16695 1 133 . 1 1 34 34 ALA H H 1 8.502 0.005 . 1 1.00 . . . 80 ALA H . 16695 1 134 . 1 1 34 34 ALA C C 13 177.532 0.031 . 1 1.00 . . . 80 ALA C . 16695 1 135 . 1 1 34 34 ALA CA C 13 53.512 0.013 . 1 1.00 . . . 80 ALA CA . 16695 1 136 . 1 1 34 34 ALA CB C 13 17.897 0.010 . 1 1.00 . . . 80 ALA CB . 16695 1 137 . 1 1 34 34 ALA N N 15 117.091 0.008 . 1 1.00 . . . 80 ALA N . 16695 1 138 . 1 1 35 35 SER H H 1 7.151 0.005 . 1 1.00 . . . 81 SER H . 16695 1 139 . 1 1 35 35 SER C C 13 175.339 0.058 . 1 1.00 . . . 81 SER C . 16695 1 140 . 1 1 35 35 SER CA C 13 58.612 0.029 . 1 1.00 . . . 81 SER CA . 16695 1 141 . 1 1 35 35 SER CB C 13 64.336 0.063 . 1 1.00 . . . 81 SER CB . 16695 1 142 . 1 1 35 35 SER N N 15 107.844 0.009 . 1 1.00 . . . 81 SER N . 16695 1 143 . 1 1 36 36 GLY H H 1 8.481 0.005 . 1 1.00 . . . 82 GLY H . 16695 1 144 . 1 1 36 36 GLY C C 13 172.635 0.036 . 1 1.00 . . . 82 GLY C . 16695 1 145 . 1 1 36 36 GLY CA C 13 45.385 0.043 . 1 1.00 . . . 82 GLY CA . 16695 1 146 . 1 1 36 36 GLY N N 15 111.820 0.016 . 1 1.00 . . . 82 GLY N . 16695 1 147 . 1 1 37 37 TYR H H 1 8.131 0.005 . 1 1.00 . . . 83 TYR H . 16695 1 148 . 1 1 37 37 TYR C C 13 173.546 0.028 . 1 1.00 . . . 83 TYR C . 16695 1 149 . 1 1 37 37 TYR CA C 13 58.445 0.011 . 1 1.00 . . . 83 TYR CA . 16695 1 150 . 1 1 37 37 TYR CB C 13 38.749 0.010 . 1 1.00 . . . 83 TYR CB . 16695 1 151 . 1 1 37 37 TYR N N 15 123.192 0.008 . 1 1.00 . . . 83 TYR N . 16695 1 152 . 1 1 38 38 ILE H H 1 7.913 0.008 . 1 1.00 . . . 84 ILE H . 16695 1 153 . 1 1 38 38 ILE C C 13 174.142 0.022 . 1 1.00 . . . 84 ILE C . 16695 1 154 . 1 1 38 38 ILE CA C 13 58.159 0.077 . 1 1.00 . . . 84 ILE CA . 16695 1 155 . 1 1 38 38 ILE CB C 13 41.517 0.164 . 1 1.00 . . . 84 ILE CB . 16695 1 156 . 1 1 38 38 ILE N N 15 122.808 0.127 . 1 1.00 . . . 84 ILE N . 16695 1 157 . 1 1 39 39 GLU H H 1 8.737 0.005 . 1 1.00 . . . 85 GLU H . 16695 1 158 . 1 1 39 39 GLU C C 13 173.982 0.010 . 1 1.00 . . . 85 GLU C . 16695 1 159 . 1 1 39 39 GLU CA C 13 55.566 0.027 . 1 1.00 . . . 85 GLU CA . 16695 1 160 . 1 1 39 39 GLU CB C 13 32.918 0.010 . 1 1.00 . . . 85 GLU CB . 16695 1 161 . 1 1 39 39 GLU N N 15 117.347 0.009 . 1 1.00 . . . 85 GLU N . 16695 1 162 . 1 1 40 40 ALA H H 1 8.311 0.005 . 1 1.00 . . . 86 ALA H . 16695 1 163 . 1 1 40 40 ALA C C 13 176.078 0.018 . 1 1.00 . . . 86 ALA C . 16695 1 164 . 1 1 40 40 ALA CA C 13 50.599 0.015 . 1 1.00 . . . 86 ALA CA . 16695 1 165 . 1 1 40 40 ALA CB C 13 22.615 0.086 . 1 1.00 . . . 86 ALA CB . 16695 1 166 . 1 1 40 40 ALA N N 15 120.427 0.008 . 1 1.00 . . . 86 ALA N . 16695 1 167 . 1 1 41 41 GLU H H 1 8.546 0.005 . 1 1.00 . . . 87 GLU H . 16695 1 168 . 1 1 41 41 GLU C C 13 174.892 0.020 . 1 1.00 . . . 87 GLU C . 16695 1 169 . 1 1 41 41 GLU CA C 13 55.702 0.049 . 1 1.00 . . . 87 GLU CA . 16695 1 170 . 1 1 41 41 GLU CB C 13 33.609 0.076 . 1 1.00 . . . 87 GLU CB . 16695 1 171 . 1 1 41 41 GLU N N 15 115.559 0.024 . 1 1.00 . . . 87 GLU N . 16695 1 172 . 1 1 42 42 VAL H H 1 8.270 0.005 . 1 1.00 . . . 88 VAL H . 16695 1 173 . 1 1 42 42 VAL C C 13 176.133 0.025 . 1 1.00 . . . 88 VAL C . 16695 1 174 . 1 1 42 42 VAL CA C 13 62.287 0.045 . 1 1.00 . . . 88 VAL CA . 16695 1 175 . 1 1 42 42 VAL CB C 13 31.004 0.010 . 1 1.00 . . . 88 VAL CB . 16695 1 176 . 1 1 42 42 VAL N N 15 123.512 0.009 . 1 1.00 . . . 88 VAL N . 16695 1 177 . 1 1 43 43 ILE H H 1 8.692 0.005 . 1 1.00 . . . 89 ILE H . 16695 1 178 . 1 1 43 43 ILE C C 13 174.451 0.010 . 1 1.00 . . . 89 ILE C . 16695 1 179 . 1 1 43 43 ILE CA C 13 57.466 0.010 . 1 1.00 . . . 89 ILE CA . 16695 1 180 . 1 1 43 43 ILE CB C 13 38.392 0.010 . 1 1.00 . . . 89 ILE CB . 16695 1 181 . 1 1 43 43 ILE N N 15 123.256 0.008 . 1 1.00 . . . 89 ILE N . 16695 1 182 . 1 1 44 44 PRO C C 13 175.825 0.022 . 1 1.00 . . . 90 PRO C . 16695 1 183 . 1 1 44 44 PRO CA C 13 64.250 0.017 . 1 1.00 . . . 90 PRO CA . 16695 1 184 . 1 1 44 44 PRO CB C 13 31.055 0.086 . 1 1.00 . . . 90 PRO CB . 16695 1 185 . 1 1 45 45 ALA H H 1 6.915 0.005 . 1 1.00 . . . 91 ALA H . 16695 1 186 . 1 1 45 45 ALA C C 13 175.007 0.010 . 1 1.00 . . . 91 ALA C . 16695 1 187 . 1 1 45 45 ALA CA C 13 50.600 0.013 . 1 1.00 . . . 91 ALA CA . 16695 1 188 . 1 1 45 45 ALA CB C 13 21.645 0.080 . 1 1.00 . . . 91 ALA CB . 16695 1 189 . 1 1 45 45 ALA N N 15 113.884 0.008 . 1 1.00 . . . 91 ALA N . 16695 1 190 . 1 1 46 46 GLU H H 1 9.027 0.005 . 1 1.00 . . . 92 GLU H . 16695 1 191 . 1 1 46 46 GLU C C 13 175.183 0.018 . 1 1.00 . . . 92 GLU C . 16695 1 192 . 1 1 46 46 GLU CA C 13 54.295 0.010 . 1 1.00 . . . 92 GLU CA . 16695 1 193 . 1 1 46 46 GLU CB C 13 27.798 0.075 . 1 1.00 . . . 92 GLU CB . 16695 1 194 . 1 1 46 46 GLU N N 15 124.286 0.008 . 1 1.00 . . . 92 GLU N . 16695 1 195 . 1 1 47 47 THR H H 1 7.618 0.005 . 1 1.00 . . . 93 THR H . 16695 1 196 . 1 1 47 47 THR C C 13 177.880 0.010 . 1 1.00 . . . 93 THR C . 16695 1 197 . 1 1 47 47 THR CA C 13 58.242 0.010 . 1 1.00 . . . 93 THR CA . 16695 1 198 . 1 1 47 47 THR CB C 13 71.877 0.010 . 1 1.00 . . . 93 THR CB . 16695 1 199 . 1 1 47 47 THR N N 15 108.805 0.008 . 1 1.00 . . . 93 THR N . 16695 1 200 . 1 1 48 48 GLY C C 13 175.458 0.010 . 1 1.00 . . . 94 GLY C . 16695 1 201 . 1 1 48 48 GLY CA C 13 46.774 0.021 . 1 1.00 . . . 94 GLY CA . 16695 1 202 . 1 1 49 49 GLN H H 1 8.922 0.005 . 1 1.00 . . . 95 GLN H . 16695 1 203 . 1 1 49 49 GLN C C 13 178.995 0.022 . 1 1.00 . . . 95 GLN C . 16695 1 204 . 1 1 49 49 GLN CA C 13 59.528 0.033 . 1 1.00 . . . 95 GLN CA . 16695 1 205 . 1 1 49 49 GLN CB C 13 27.537 0.084 . 1 1.00 . . . 95 GLN CB . 16695 1 206 . 1 1 49 49 GLN N N 15 120.879 0.009 . 1 1.00 . . . 95 GLN N . 16695 1 207 . 1 1 50 50 GLU H H 1 7.368 0.005 . 1 1.00 . . . 96 GLU H . 16695 1 208 . 1 1 50 50 GLU C C 13 179.780 0.021 . 1 1.00 . . . 96 GLU C . 16695 1 209 . 1 1 50 50 GLU CA C 13 57.715 0.014 . 1 1.00 . . . 96 GLU CA . 16695 1 210 . 1 1 50 50 GLU CB C 13 28.591 0.111 . 1 1.00 . . . 96 GLU CB . 16695 1 211 . 1 1 50 50 GLU N N 15 115.998 0.009 . 1 1.00 . . . 96 GLU N . 16695 1 212 . 1 1 51 51 THR H H 1 7.910 0.012 . 1 1.00 . . . 97 THR H . 16695 1 213 . 1 1 51 51 THR C C 13 174.919 0.022 . 1 1.00 . . . 97 THR C . 16695 1 214 . 1 1 51 51 THR CA C 13 66.095 0.034 . 1 1.00 . . . 97 THR CA . 16695 1 215 . 1 1 51 51 THR CB C 13 67.050 0.202 . 1 1.00 . . . 97 THR CB . 16695 1 216 . 1 1 51 51 THR N N 15 117.401 0.054 . 1 1.00 . . . 97 THR N . 16695 1 217 . 1 1 52 52 ALA H H 1 8.897 0.005 . 1 1.00 . . . 98 ALA H . 16695 1 218 . 1 1 52 52 ALA C C 13 177.828 0.029 . 1 1.00 . . . 98 ALA C . 16695 1 219 . 1 1 52 52 ALA CA C 13 55.001 0.013 . 1 1.00 . . . 98 ALA CA . 16695 1 220 . 1 1 52 52 ALA CB C 13 17.284 0.107 . 1 1.00 . . . 98 ALA CB . 16695 1 221 . 1 1 52 52 ALA N N 15 123.835 0.008 . 1 1.00 . . . 98 ALA N . 16695 1 222 . 1 1 53 53 TYR H H 1 7.408 0.005 . 1 1.00 . . . 99 TYR H . 16695 1 223 . 1 1 53 53 TYR C C 13 176.135 0.028 . 1 1.00 . . . 99 TYR C . 16695 1 224 . 1 1 53 53 TYR CA C 13 60.572 0.010 . 1 1.00 . . . 99 TYR CA . 16695 1 225 . 1 1 53 53 TYR CB C 13 36.816 0.034 . 1 1.00 . . . 99 TYR CB . 16695 1 226 . 1 1 53 53 TYR N N 15 116.445 0.019 . 1 1.00 . . . 99 TYR N . 16695 1 227 . 1 1 54 54 PHE H H 1 7.429 0.005 . 1 1.00 . . . 100 PHE H . 16695 1 228 . 1 1 54 54 PHE C C 13 177.482 0.039 . 1 1.00 . . . 100 PHE C . 16695 1 229 . 1 1 54 54 PHE CA C 13 61.154 0.010 . 1 1.00 . . . 100 PHE CA . 16695 1 230 . 1 1 54 54 PHE CB C 13 39.234 0.075 . 1 1.00 . . . 100 PHE CB . 16695 1 231 . 1 1 54 54 PHE N N 15 117.280 0.013 . 1 1.00 . . . 100 PHE N . 16695 1 232 . 1 1 55 55 LEU H H 1 8.428 0.005 . 1 1.00 . . . 101 LEU H . 16695 1 233 . 1 1 55 55 LEU C C 13 177.658 0.010 . 1 1.00 . . . 101 LEU C . 16695 1 234 . 1 1 55 55 LEU CA C 13 57.340 0.074 . 1 1.00 . . . 101 LEU CA . 16695 1 235 . 1 1 55 55 LEU CB C 13 41.680 0.010 . 1 1.00 . . . 101 LEU CB . 16695 1 236 . 1 1 55 55 LEU N N 15 119.402 0.009 . 1 1.00 . . . 101 LEU N . 16695 1 237 . 1 1 56 56 LEU H H 1 8.211 0.007 . 1 1.00 . . . 102 LEU H . 16695 1 238 . 1 1 56 56 LEU C C 13 179.868 0.040 . 1 1.00 . . . 102 LEU C . 16695 1 239 . 1 1 56 56 LEU CA C 13 57.336 0.010 . 1 1.00 . . . 102 LEU CA . 16695 1 240 . 1 1 56 56 LEU CB C 13 40.903 0.086 . 1 1.00 . . . 102 LEU CB . 16695 1 241 . 1 1 56 56 LEU N N 15 118.034 0.030 . 1 1.00 . . . 102 LEU N . 16695 1 242 . 1 1 57 57 LYS H H 1 7.425 0.006 . 1 1.00 . . . 103 LYS H . 16695 1 243 . 1 1 57 57 LYS C C 13 178.847 0.010 . 1 1.00 . . . 103 LYS C . 16695 1 244 . 1 1 57 57 LYS CA C 13 58.963 0.028 . 1 1.00 . . . 103 LYS CA . 16695 1 245 . 1 1 57 57 LYS CB C 13 30.958 0.025 . 1 1.00 . . . 103 LYS CB . 16695 1 246 . 1 1 57 57 LYS N N 15 119.100 0.045 . 1 1.00 . . . 103 LYS N . 16695 1 247 . 1 1 58 58 LEU H H 1 7.658 0.005 . 1 1.00 . . . 104 LEU H . 16695 1 248 . 1 1 58 58 LEU C C 13 178.333 0.010 . 1 1.00 . . . 104 LEU C . 16695 1 249 . 1 1 58 58 LEU CA C 13 57.628 0.045 . 1 1.00 . . . 104 LEU CA . 16695 1 250 . 1 1 58 58 LEU CB C 13 41.732 0.041 . 1 1.00 . . . 104 LEU CB . 16695 1 251 . 1 1 58 58 LEU N N 15 121.002 0.023 . 1 1.00 . . . 104 LEU N . 16695 1 252 . 1 1 59 59 ALA H H 1 8.475 0.005 . 1 1.00 . . . 105 ALA H . 16695 1 253 . 1 1 59 59 ALA C C 13 178.295 0.023 . 1 1.00 . . . 105 ALA C . 16695 1 254 . 1 1 59 59 ALA CA C 13 52.860 0.019 . 1 1.00 . . . 105 ALA CA . 16695 1 255 . 1 1 59 59 ALA CB C 13 17.209 0.010 . 1 1.00 . . . 105 ALA CB . 16695 1 256 . 1 1 59 59 ALA N N 15 116.257 0.008 . 1 1.00 . . . 105 ALA N . 16695 1 257 . 1 1 60 60 GLY H H 1 7.652 0.005 . 1 1.00 . . . 106 GLY H . 16695 1 258 . 1 1 60 60 GLY C C 13 173.993 0.038 . 1 1.00 . . . 106 GLY C . 16695 1 259 . 1 1 60 60 GLY CA C 13 45.945 0.021 . 1 1.00 . . . 106 GLY CA . 16695 1 260 . 1 1 60 60 GLY N N 15 101.548 0.008 . 1 1.00 . . . 106 GLY N . 16695 1 261 . 1 1 61 61 ARG H H 1 7.368 0.005 . 1 1.00 . . . 107 ARG H . 16695 1 262 . 1 1 61 61 ARG C C 13 174.513 0.034 . 1 1.00 . . . 107 ARG C . 16695 1 263 . 1 1 61 61 ARG CA C 13 56.515 0.043 . 1 1.00 . . . 107 ARG CA . 16695 1 264 . 1 1 61 61 ARG CB C 13 30.384 0.123 . 1 1.00 . . . 107 ARG CB . 16695 1 265 . 1 1 61 61 ARG N N 15 121.769 0.025 . 1 1.00 . . . 107 ARG N . 16695 1 266 . 1 1 62 62 TRP H H 1 7.540 0.005 . 1 1.00 . . . 108 TRP H . 16695 1 267 . 1 1 62 62 TRP C C 13 174.791 0.010 . 1 1.00 . . . 108 TRP C . 16695 1 268 . 1 1 62 62 TRP CA C 13 52.289 0.010 . 1 1.00 . . . 108 TRP CA . 16695 1 269 . 1 1 62 62 TRP N N 15 116.770 0.008 . 1 1.00 . . . 108 TRP N . 16695 1 270 . 1 1 63 63 PRO C C 13 176.553 0.032 . 1 1.00 . . . 109 PRO C . 16695 1 271 . 1 1 63 63 PRO CA C 13 61.425 0.048 . 1 1.00 . . . 109 PRO CA . 16695 1 272 . 1 1 63 63 PRO CB C 13 27.773 0.086 . 1 1.00 . . . 109 PRO CB . 16695 1 273 . 1 1 64 64 VAL H H 1 9.224 0.005 . 1 1.00 . . . 110 VAL H . 16695 1 274 . 1 1 64 64 VAL C C 13 174.717 0.015 . 1 1.00 . . . 110 VAL C . 16695 1 275 . 1 1 64 64 VAL CA C 13 62.774 0.010 . 1 1.00 . . . 110 VAL CA . 16695 1 276 . 1 1 64 64 VAL CB C 13 30.823 0.047 . 1 1.00 . . . 110 VAL CB . 16695 1 277 . 1 1 64 64 VAL N N 15 131.028 0.008 . 1 1.00 . . . 110 VAL N . 16695 1 278 . 1 1 65 65 LYS H H 1 9.033 0.005 . 1 1.00 . . . 111 LYS H . 16695 1 279 . 1 1 65 65 LYS C C 13 177.169 0.030 . 1 1.00 . . . 111 LYS C . 16695 1 280 . 1 1 65 65 LYS CA C 13 56.036 0.013 . 1 1.00 . . . 111 LYS CA . 16695 1 281 . 1 1 65 65 LYS CB C 13 33.147 0.069 . 1 1.00 . . . 111 LYS CB . 16695 1 282 . 1 1 65 65 LYS N N 15 125.624 0.024 . 1 1.00 . . . 111 LYS N . 16695 1 283 . 1 1 66 66 THR H H 1 7.968 0.005 . 1 1.00 . . . 112 THR H . 16695 1 284 . 1 1 66 66 THR C C 13 173.050 0.020 . 1 1.00 . . . 112 THR C . 16695 1 285 . 1 1 66 66 THR CA C 13 60.825 0.013 . 1 1.00 . . . 112 THR CA . 16695 1 286 . 1 1 66 66 THR CB C 13 72.141 0.103 . 1 1.00 . . . 112 THR CB . 16695 1 287 . 1 1 66 66 THR N N 15 116.737 0.030 . 1 1.00 . . . 112 THR N . 16695 1 288 . 1 1 67 67 VAL H H 1 8.811 0.005 . 1 1.00 . . . 113 VAL H . 16695 1 289 . 1 1 67 67 VAL C C 13 173.496 0.032 . 1 1.00 . . . 113 VAL C . 16695 1 290 . 1 1 67 67 VAL CA C 13 58.172 0.013 . 1 1.00 . . . 113 VAL CA . 16695 1 291 . 1 1 67 67 VAL CB C 13 33.186 0.070 . 1 1.00 . . . 113 VAL CB . 16695 1 292 . 1 1 67 67 VAL N N 15 120.094 0.051 . 1 1.00 . . . 113 VAL N . 16695 1 293 . 1 1 68 68 HIS H H 1 9.091 0.005 . 1 1.00 . . . 114 HIS H . 16695 1 294 . 1 1 68 68 HIS C C 13 174.879 0.021 . 1 1.00 . . . 114 HIS C . 16695 1 295 . 1 1 68 68 HIS CA C 13 53.849 0.057 . 1 1.00 . . . 114 HIS CA . 16695 1 296 . 1 1 68 68 HIS CB C 13 31.038 0.068 . 1 1.00 . . . 114 HIS CB . 16695 1 297 . 1 1 68 68 HIS N N 15 126.788 0.009 . 1 1.00 . . . 114 HIS N . 16695 1 298 . 1 1 69 69 THR H H 1 8.144 0.014 . 1 1.00 . . . 115 THR H . 16695 1 299 . 1 1 69 69 THR C C 13 173.095 0.026 . 1 1.00 . . . 115 THR C . 16695 1 300 . 1 1 69 69 THR CA C 13 59.220 0.035 . 1 1.00 . . . 115 THR CA . 16695 1 301 . 1 1 69 69 THR CB C 13 71.982 0.058 . 1 1.00 . . . 115 THR CB . 16695 1 302 . 1 1 69 69 THR N N 15 113.518 0.059 . 1 1.00 . . . 115 THR N . 16695 1 303 . 1 1 70 70 ASP H H 1 8.783 0.005 . 1 1.00 . . . 116 ASP H . 16695 1 304 . 1 1 70 70 ASP C C 13 174.589 0.019 . 1 1.00 . . . 116 ASP C . 16695 1 305 . 1 1 70 70 ASP CA C 13 52.159 0.010 . 1 1.00 . . . 116 ASP CA . 16695 1 306 . 1 1 70 70 ASP CB C 13 39.677 0.111 . 1 1.00 . . . 116 ASP CB . 16695 1 307 . 1 1 70 70 ASP N N 15 117.875 0.028 . 1 1.00 . . . 116 ASP N . 16695 1 308 . 1 1 71 71 ASN H H 1 7.857 0.005 . 1 1.00 . . . 117 ASN H . 16695 1 309 . 1 1 71 71 ASN C C 13 175.992 0.016 . 1 1.00 . . . 117 ASN C . 16695 1 310 . 1 1 71 71 ASN CA C 13 52.316 0.078 . 1 1.00 . . . 117 ASN CA . 16695 1 311 . 1 1 71 71 ASN CB C 13 37.122 0.079 . 1 1.00 . . . 117 ASN CB . 16695 1 312 . 1 1 71 71 ASN N N 15 111.827 0.008 . 1 1.00 . . . 117 ASN N . 16695 1 313 . 1 1 72 72 GLY H H 1 9.061 0.005 . 1 1.00 . . . 118 GLY H . 16695 1 314 . 1 1 72 72 GLY C C 13 175.745 0.010 . 1 1.00 . . . 118 GLY C . 16695 1 315 . 1 1 72 72 GLY CA C 13 46.077 0.010 . 1 1.00 . . . 118 GLY CA . 16695 1 316 . 1 1 72 72 GLY N N 15 108.736 0.024 . 1 1.00 . . . 118 GLY N . 16695 1 317 . 1 1 73 73 SER C C 13 175.551 0.010 . 1 1.00 . . . 119 SER C . 16695 1 318 . 1 1 73 73 SER CA C 13 60.735 0.032 . 1 1.00 . . . 119 SER CA . 16695 1 319 . 1 1 73 73 SER CB C 13 62.004 0.086 . 1 1.00 . . . 119 SER CB . 16695 1 320 . 1 1 74 74 ASN H H 1 8.663 0.010 . 1 1.00 . . . 120 ASN H . 16695 1 321 . 1 1 74 74 ASN C C 13 175.959 0.018 . 1 1.00 . . . 120 ASN C . 16695 1 322 . 1 1 74 74 ASN CA C 13 55.971 0.013 . 1 1.00 . . . 120 ASN CA . 16695 1 323 . 1 1 74 74 ASN CB C 13 34.120 0.136 . 1 1.00 . . . 120 ASN CB . 16695 1 324 . 1 1 74 74 ASN N N 15 115.168 0.008 . 1 1.00 . . . 120 ASN N . 16695 1 325 . 1 1 75 75 PHE H H 1 7.467 0.005 . 1 1.00 . . . 121 PHE H . 16695 1 326 . 1 1 75 75 PHE C C 13 177.168 0.031 . 1 1.00 . . . 121 PHE C . 16695 1 327 . 1 1 75 75 PHE CA C 13 60.054 0.010 . 1 1.00 . . . 121 PHE CA . 16695 1 328 . 1 1 75 75 PHE CB C 13 38.377 0.104 . 1 1.00 . . . 121 PHE CB . 16695 1 329 . 1 1 75 75 PHE N N 15 118.018 0.038 . 1 1.00 . . . 121 PHE N . 16695 1 330 . 1 1 76 76 THR H H 1 7.871 0.009 . 1 1.00 . . . 122 THR H . 16695 1 331 . 1 1 76 76 THR C C 13 174.178 0.055 . 1 1.00 . . . 122 THR C . 16695 1 332 . 1 1 76 76 THR CA C 13 61.231 0.048 . 1 1.00 . . . 122 THR CA . 16695 1 333 . 1 1 76 76 THR CB C 13 68.150 0.105 . 1 1.00 . . . 122 THR CB . 16695 1 334 . 1 1 76 76 THR N N 15 108.329 0.100 . 1 1.00 . . . 122 THR N . 16695 1 335 . 1 1 77 77 SER H H 1 6.755 0.005 . 1 1.00 . . . 123 SER H . 16695 1 336 . 1 1 77 77 SER C C 13 176.456 0.010 . 1 1.00 . . . 123 SER C . 16695 1 337 . 1 1 77 77 SER CA C 13 57.660 0.010 . 1 1.00 . . . 123 SER CA . 16695 1 338 . 1 1 77 77 SER CB C 13 64.300 0.010 . 1 1.00 . . . 123 SER CB . 16695 1 339 . 1 1 77 77 SER N N 15 114.836 0.026 . 1 1.00 . . . 123 SER N . 16695 1 340 . 1 1 79 79 THR C C 13 177.039 0.010 . 1 1.00 . . . 125 THR C . 16695 1 341 . 1 1 79 79 THR CA C 13 65.286 0.017 . 1 1.00 . . . 125 THR CA . 16695 1 342 . 1 1 79 79 THR CB C 13 67.866 0.086 . 1 1.00 . . . 125 THR CB . 16695 1 343 . 1 1 80 80 VAL H H 1 7.279 0.005 . 1 1.00 . . . 126 VAL H . 16695 1 344 . 1 1 80 80 VAL C C 13 177.110 0.021 . 1 1.00 . . . 126 VAL C . 16695 1 345 . 1 1 80 80 VAL CA C 13 66.649 0.013 . 1 1.00 . . . 126 VAL CA . 16695 1 346 . 1 1 80 80 VAL CB C 13 30.607 0.070 . 1 1.00 . . . 126 VAL CB . 16695 1 347 . 1 1 80 80 VAL N N 15 123.350 0.123 . 1 1.00 . . . 126 VAL N . 16695 1 348 . 1 1 81 81 LYS H H 1 7.809 0.005 . 1 1.00 . . . 127 LYS H . 16695 1 349 . 1 1 81 81 LYS C C 13 178.934 0.029 . 1 1.00 . . . 127 LYS C . 16695 1 350 . 1 1 81 81 LYS CA C 13 59.527 0.012 . 1 1.00 . . . 127 LYS CA . 16695 1 351 . 1 1 81 81 LYS CB C 13 31.040 0.164 . 1 1.00 . . . 127 LYS CB . 16695 1 352 . 1 1 81 81 LYS N N 15 123.045 0.031 . 1 1.00 . . . 127 LYS N . 16695 1 353 . 1 1 82 82 ALA H H 1 8.282 0.005 . 1 1.00 . . . 128 ALA H . 16695 1 354 . 1 1 82 82 ALA C C 13 180.772 0.043 . 1 1.00 . . . 128 ALA C . 16695 1 355 . 1 1 82 82 ALA CA C 13 54.489 0.010 . 1 1.00 . . . 128 ALA CA . 16695 1 356 . 1 1 82 82 ALA CB C 13 17.488 0.128 . 1 1.00 . . . 128 ALA CB . 16695 1 357 . 1 1 82 82 ALA N N 15 119.427 0.033 . 1 1.00 . . . 128 ALA N . 16695 1 358 . 1 1 83 83 ALA H H 1 7.593 0.005 . 1 1.00 . . . 129 ALA H . 16695 1 359 . 1 1 83 83 ALA C C 13 179.311 0.015 . 1 1.00 . . . 129 ALA C . 16695 1 360 . 1 1 83 83 ALA CA C 13 54.845 0.032 . 1 1.00 . . . 129 ALA CA . 16695 1 361 . 1 1 83 83 ALA CB C 13 16.938 0.010 . 1 1.00 . . . 129 ALA CB . 16695 1 362 . 1 1 83 83 ALA N N 15 122.362 0.064 . 1 1.00 . . . 129 ALA N . 16695 1 363 . 1 1 84 84 CYS H H 1 8.499 0.007 . 1 1.00 . . . 130 CYS H . 16695 1 364 . 1 1 84 84 CYS C C 13 177.479 0.050 . 1 1.00 . . . 130 CYS C . 16695 1 365 . 1 1 84 84 CYS CA C 13 64.711 0.010 . 1 1.00 . . . 130 CYS CA . 16695 1 366 . 1 1 84 84 CYS CB C 13 24.783 0.119 . 1 1.00 . . . 130 CYS CB . 16695 1 367 . 1 1 84 84 CYS N N 15 115.162 0.144 . 1 1.00 . . . 130 CYS N . 16695 1 368 . 1 1 85 85 GLU H H 1 8.645 0.005 . 1 1.00 . . . 131 GLU H . 16695 1 369 . 1 1 85 85 GLU C C 13 179.569 0.021 . 1 1.00 . . . 131 GLU C . 16695 1 370 . 1 1 85 85 GLU CA C 13 58.882 0.015 . 1 1.00 . . . 131 GLU CA . 16695 1 371 . 1 1 85 85 GLU CB C 13 28.149 0.028 . 1 1.00 . . . 131 GLU CB . 16695 1 372 . 1 1 85 85 GLU N N 15 120.066 0.080 . 1 1.00 . . . 131 GLU N . 16695 1 373 . 1 1 86 86 TRP H H 1 8.242 0.005 . 1 1.00 . . . 132 TRP H . 16695 1 374 . 1 1 86 86 TRP C C 13 177.696 0.017 . 1 1.00 . . . 132 TRP C . 16695 1 375 . 1 1 86 86 TRP CA C 13 62.060 0.010 . 1 1.00 . . . 132 TRP CA . 16695 1 376 . 1 1 86 86 TRP CB C 13 28.261 0.069 . 1 1.00 . . . 132 TRP CB . 16695 1 377 . 1 1 86 86 TRP N N 15 121.216 0.037 . 1 1.00 . . . 132 TRP N . 16695 1 378 . 1 1 87 87 ALA H H 1 8.035 0.005 . 1 1.00 . . . 133 ALA H . 16695 1 379 . 1 1 87 87 ALA C C 13 176.858 0.016 . 1 1.00 . . . 133 ALA C . 16695 1 380 . 1 1 87 87 ALA CA C 13 51.468 0.043 . 1 1.00 . . . 133 ALA CA . 16695 1 381 . 1 1 87 87 ALA CB C 13 18.424 0.080 . 1 1.00 . . . 133 ALA CB . 16695 1 382 . 1 1 87 87 ALA N N 15 115.741 0.009 . 1 1.00 . . . 133 ALA N . 16695 1 383 . 1 1 88 88 GLY H H 1 7.778 0.005 . 1 1.00 . . . 134 GLY H . 16695 1 384 . 1 1 88 88 GLY C C 13 174.329 0.015 . 1 1.00 . . . 134 GLY C . 16695 1 385 . 1 1 88 88 GLY CA C 13 46.459 0.013 . 1 1.00 . . . 134 GLY CA . 16695 1 386 . 1 1 88 88 GLY N N 15 110.022 0.016 . 1 1.00 . . . 134 GLY N . 16695 1 387 . 1 1 89 89 ILE H H 1 8.719 0.005 . 1 1.00 . . . 135 ILE H . 16695 1 388 . 1 1 89 89 ILE C C 13 175.368 0.036 . 1 1.00 . . . 135 ILE C . 16695 1 389 . 1 1 89 89 ILE CA C 13 60.268 0.043 . 1 1.00 . . . 135 ILE CA . 16695 1 390 . 1 1 89 89 ILE CB C 13 40.153 0.013 . 1 1.00 . . . 135 ILE CB . 16695 1 391 . 1 1 89 89 ILE N N 15 121.337 0.031 . 1 1.00 . . . 135 ILE N . 16695 1 392 . 1 1 90 90 LYS H H 1 8.539 0.005 . 1 1.00 . . . 136 LYS H . 16695 1 393 . 1 1 90 90 LYS C C 13 174.709 0.010 . 1 1.00 . . . 136 LYS C . 16695 1 394 . 1 1 90 90 LYS CA C 13 54.884 0.035 . 1 1.00 . . . 136 LYS CA . 16695 1 395 . 1 1 90 90 LYS CB C 13 32.090 0.067 . 1 1.00 . . . 136 LYS CB . 16695 1 396 . 1 1 90 90 LYS N N 15 128.459 0.008 . 1 1.00 . . . 136 LYS N . 16695 1 397 . 1 1 91 91 GLN H H 1 8.659 0.005 . 1 1.00 . . . 137 GLN H . 16695 1 398 . 1 1 91 91 GLN C C 13 175.033 0.010 . 1 1.00 . . . 137 GLN C . 16695 1 399 . 1 1 91 91 GLN CA C 13 54.546 0.015 . 1 1.00 . . . 137 GLN CA . 16695 1 400 . 1 1 91 91 GLN CB C 13 31.076 0.070 . 1 1.00 . . . 137 GLN CB . 16695 1 401 . 1 1 91 91 GLN N N 15 124.413 0.008 . 1 1.00 . . . 137 GLN N . 16695 1 402 . 1 1 92 92 GLU H H 1 8.470 0.005 . 1 1.00 . . . 138 GLU H . 16695 1 403 . 1 1 92 92 GLU C C 13 174.431 0.043 . 1 1.00 . . . 138 GLU C . 16695 1 404 . 1 1 92 92 GLU CA C 13 53.951 0.017 . 1 1.00 . . . 138 GLU CA . 16695 1 405 . 1 1 92 92 GLU CB C 13 31.038 0.038 . 1 1.00 . . . 138 GLU CB . 16695 1 406 . 1 1 92 92 GLU N N 15 123.901 0.008 . 1 1.00 . . . 138 GLU N . 16695 1 407 . 1 1 93 93 PHE H H 1 8.531 0.005 . 1 1.00 . . . 139 PHE H . 16695 1 408 . 1 1 93 93 PHE C C 13 177.122 0.029 . 1 1.00 . . . 139 PHE C . 16695 1 409 . 1 1 93 93 PHE CA C 13 56.411 0.029 . 1 1.00 . . . 139 PHE CA . 16695 1 410 . 1 1 93 93 PHE CB C 13 39.604 0.057 . 1 1.00 . . . 139 PHE CB . 16695 1 411 . 1 1 93 93 PHE N N 15 121.201 0.008 . 1 1.00 . . . 139 PHE N . 16695 1 412 . 1 1 94 94 GLY H H 1 8.621 0.005 . 1 1.00 . . . 140 GLY H . 16695 1 413 . 1 1 94 94 GLY C C 13 173.532 0.011 . 1 1.00 . . . 140 GLY C . 16695 1 414 . 1 1 94 94 GLY CA C 13 44.492 0.045 . 1 1.00 . . . 140 GLY CA . 16695 1 415 . 1 1 94 94 GLY N N 15 110.085 0.024 . 1 1.00 . . . 140 GLY N . 16695 1 416 . 1 1 95 95 ILE H H 1 8.345 0.005 . 1 1.00 . . . 141 ILE H . 16695 1 417 . 1 1 95 95 ILE C C 13 174.839 0.010 . 1 1.00 . . . 141 ILE C . 16695 1 418 . 1 1 95 95 ILE CA C 13 58.372 0.010 . 1 1.00 . . . 141 ILE CA . 16695 1 419 . 1 1 95 95 ILE CB C 13 37.138 0.010 . 1 1.00 . . . 141 ILE CB . 16695 1 420 . 1 1 95 95 ILE N N 15 122.608 0.023 . 1 1.00 . . . 141 ILE N . 16695 1 421 . 1 1 96 96 PRO C C 13 176.148 0.022 . 1 1.00 . . . 142 PRO C . 16695 1 422 . 1 1 96 96 PRO CA C 13 62.827 0.017 . 1 1.00 . . . 142 PRO CA . 16695 1 423 . 1 1 96 96 PRO CB C 13 30.587 0.086 . 1 1.00 . . . 142 PRO CB . 16695 1 424 . 1 1 97 97 TYR H H 1 8.106 0.005 . 1 1.00 . . . 143 TYR H . 16695 1 425 . 1 1 97 97 TYR C C 13 175.108 0.050 . 1 1.00 . . . 143 TYR C . 16695 1 426 . 1 1 97 97 TYR CA C 13 57.719 0.013 . 1 1.00 . . . 143 TYR CA . 16695 1 427 . 1 1 97 97 TYR CB C 13 37.208 0.115 . 1 1.00 . . . 143 TYR CB . 16695 1 428 . 1 1 97 97 TYR N N 15 119.210 0.009 . 1 1.00 . . . 143 TYR N . 16695 1 429 . 1 1 98 98 ASN H H 1 7.975 0.005 . 1 1.00 . . . 144 ASN H . 16695 1 430 . 1 1 98 98 ASN C C 13 173.609 0.010 . 1 1.00 . . . 144 ASN C . 16695 1 431 . 1 1 98 98 ASN CA C 13 50.542 0.010 . 1 1.00 . . . 144 ASN CA . 16695 1 432 . 1 1 98 98 ASN CB C 13 38.096 0.010 . 1 1.00 . . . 144 ASN CB . 16695 1 433 . 1 1 98 98 ASN N N 15 120.561 0.008 . 1 1.00 . . . 144 ASN N . 16695 1 434 . 1 1 99 99 PRO C C 13 177.868 0.049 . 1 1.00 . . . 145 PRO C . 16695 1 435 . 1 1 99 99 PRO CA C 13 64.099 0.032 . 1 1.00 . . . 145 PRO CA . 16695 1 436 . 1 1 99 99 PRO CB C 13 31.055 0.086 . 1 1.00 . . . 145 PRO CB . 16695 1 437 . 1 1 100 100 GLN H H 1 8.204 0.005 . 1 1.00 . . . 146 GLN H . 16695 1 438 . 1 1 100 100 GLN C C 13 176.768 0.062 . 1 1.00 . . . 146 GLN C . 16695 1 439 . 1 1 100 100 GLN CA C 13 56.560 0.010 . 1 1.00 . . . 146 GLN CA . 16695 1 440 . 1 1 100 100 GLN CB C 13 27.796 0.072 . 1 1.00 . . . 146 GLN CB . 16695 1 441 . 1 1 100 100 GLN N N 15 116.374 0.022 . 1 1.00 . . . 146 GLN N . 16695 1 442 . 1 1 101 101 SER H H 1 7.865 0.005 . 1 1.00 . . . 147 SER H . 16695 1 443 . 1 1 101 101 SER C C 13 174.660 0.022 . 1 1.00 . . . 147 SER C . 16695 1 444 . 1 1 101 101 SER CA C 13 58.469 0.045 . 1 1.00 . . . 147 SER CA . 16695 1 445 . 1 1 101 101 SER CB C 13 62.818 0.270 . 1 1.00 . . . 147 SER CB . 16695 1 446 . 1 1 101 101 SER N N 15 114.491 0.036 . 1 1.00 . . . 147 SER N . 16695 1 447 . 1 1 102 102 GLN H H 1 8.091 0.005 . 1 1.00 . . . 148 GLN H . 16695 1 448 . 1 1 102 102 GLN C C 13 176.717 0.027 . 1 1.00 . . . 148 GLN C . 16695 1 449 . 1 1 102 102 GLN CA C 13 56.101 0.013 . 1 1.00 . . . 148 GLN CA . 16695 1 450 . 1 1 102 102 GLN CB C 13 27.882 0.056 . 1 1.00 . . . 148 GLN CB . 16695 1 451 . 1 1 102 102 GLN N N 15 120.880 0.009 . 1 1.00 . . . 148 GLN N . 16695 1 452 . 1 1 103 103 GLY H H 1 8.377 0.005 . 1 1.00 . . . 149 GLY H . 16695 1 453 . 1 1 103 103 GLY C C 13 175.332 0.048 . 1 1.00 . . . 149 GLY C . 16695 1 454 . 1 1 103 103 GLY CA C 13 45.488 0.013 . 1 1.00 . . . 149 GLY CA . 16695 1 455 . 1 1 103 103 GLY N N 15 108.977 0.032 . 1 1.00 . . . 149 GLY N . 16695 1 456 . 1 1 104 104 VAL H H 1 7.957 0.005 . 1 1.00 . . . 150 VAL H . 16695 1 457 . 1 1 104 104 VAL C C 13 178.312 0.052 . 1 1.00 . . . 150 VAL C . 16695 1 458 . 1 1 104 104 VAL CA C 13 64.850 0.035 . 1 1.00 . . . 150 VAL CA . 16695 1 459 . 1 1 104 104 VAL CB C 13 30.605 0.069 . 1 1.00 . . . 150 VAL CB . 16695 1 460 . 1 1 104 104 VAL N N 15 121.203 0.008 . 1 1.00 . . . 150 VAL N . 16695 1 461 . 1 1 105 105 ILE H H 1 8.059 0.005 . 1 1.00 . . . 151 ILE H . 16695 1 462 . 1 1 105 105 ILE C C 13 176.316 0.010 . 1 1.00 . . . 151 ILE C . 16695 1 463 . 1 1 105 105 ILE CA C 13 62.696 0.016 . 1 1.00 . . . 151 ILE CA . 16695 1 464 . 1 1 105 105 ILE CB C 13 36.253 0.010 . 1 1.00 . . . 151 ILE CB . 16695 1 465 . 1 1 105 105 ILE N N 15 120.237 0.009 . 1 1.00 . . . 151 ILE N . 16695 1 466 . 1 1 106 106 GLU H H 1 8.119 0.005 . 1 1.00 . . . 152 GLU H . 16695 1 467 . 1 1 106 106 GLU C C 13 179.473 0.045 . 1 1.00 . . . 152 GLU C . 16695 1 468 . 1 1 106 106 GLU CA C 13 59.078 0.013 . 1 1.00 . . . 152 GLU CA . 16695 1 469 . 1 1 106 106 GLU CB C 13 27.792 0.069 . 1 1.00 . . . 152 GLU CB . 16695 1 470 . 1 1 106 106 GLU N N 15 121.896 0.035 . 1 1.00 . . . 152 GLU N . 16695 1 471 . 1 1 107 107 SER H H 1 7.884 0.005 . 1 1.00 . . . 153 SER H . 16695 1 472 . 1 1 107 107 SER C C 13 177.248 0.022 . 1 1.00 . . . 153 SER C . 16695 1 473 . 1 1 107 107 SER CA C 13 60.936 0.028 . 1 1.00 . . . 153 SER CA . 16695 1 474 . 1 1 107 107 SER CB C 13 62.096 0.071 . 1 1.00 . . . 153 SER CB . 16695 1 475 . 1 1 107 107 SER N N 15 114.332 0.008 . 1 1.00 . . . 153 SER N . 16695 1 476 . 1 1 108 108 MET H H 1 8.270 0.005 . 1 1.00 . . . 154 MET H . 16695 1 477 . 1 1 108 108 MET C C 13 177.780 0.010 . 1 1.00 . . . 154 MET C . 16695 1 478 . 1 1 108 108 MET CA C 13 56.753 0.040 . 1 1.00 . . . 154 MET CA . 16695 1 479 . 1 1 108 108 MET CB C 13 29.951 0.092 . 1 1.00 . . . 154 MET CB . 16695 1 480 . 1 1 108 108 MET N N 15 121.936 0.048 . 1 1.00 . . . 154 MET N . 16695 1 481 . 1 1 109 109 ASN H H 1 8.612 0.005 . 1 1.00 . . . 155 ASN H . 16695 1 482 . 1 1 109 109 ASN C C 13 177.953 0.020 . 1 1.00 . . . 155 ASN C . 16695 1 483 . 1 1 109 109 ASN CA C 13 55.808 0.047 . 1 1.00 . . . 155 ASN CA . 16695 1 484 . 1 1 109 109 ASN CB C 13 37.151 0.151 . 1 1.00 . . . 155 ASN CB . 16695 1 485 . 1 1 109 109 ASN N N 15 119.788 0.009 . 1 1.00 . . . 155 ASN N . 16695 1 486 . 1 1 110 110 LYS H H 1 7.533 0.005 . 1 1.00 . . . 156 LYS H . 16695 1 487 . 1 1 110 110 LYS C C 13 179.486 0.010 . 1 1.00 . . . 156 LYS C . 16695 1 488 . 1 1 110 110 LYS CA C 13 59.394 0.015 . 1 1.00 . . . 156 LYS CA . 16695 1 489 . 1 1 110 110 LYS CB C 13 31.040 0.164 . 1 1.00 . . . 156 LYS CB . 16695 1 490 . 1 1 110 110 LYS N N 15 118.511 0.047 . 1 1.00 . . . 156 LYS N . 16695 1 491 . 1 1 111 111 GLU H H 1 7.941 0.005 . 1 1.00 . . . 157 GLU H . 16695 1 492 . 1 1 111 111 GLU C C 13 178.547 0.018 . 1 1.00 . . . 157 GLU C . 16695 1 493 . 1 1 111 111 GLU CA C 13 58.508 0.035 . 1 1.00 . . . 157 GLU CA . 16695 1 494 . 1 1 111 111 GLU CB C 13 27.734 0.184 . 1 1.00 . . . 157 GLU CB . 16695 1 495 . 1 1 111 111 GLU N N 15 121.075 0.008 . 1 1.00 . . . 157 GLU N . 16695 1 496 . 1 1 112 112 LEU H H 1 8.789 0.005 . 1 1.00 . . . 158 LEU H . 16695 1 497 . 1 1 112 112 LEU C C 13 178.718 0.010 . 1 1.00 . . . 158 LEU C . 16695 1 498 . 1 1 112 112 LEU CA C 13 57.719 0.013 . 1 1.00 . . . 158 LEU CA . 16695 1 499 . 1 1 112 112 LEU CB C 13 40.218 0.069 . 1 1.00 . . . 158 LEU CB . 16695 1 500 . 1 1 112 112 LEU N N 15 119.531 0.009 . 1 1.00 . . . 158 LEU N . 16695 1 501 . 1 1 113 113 LYS H H 1 7.922 0.005 . 1 1.00 . . . 159 LYS H . 16695 1 502 . 1 1 113 113 LYS C C 13 179.064 0.017 . 1 1.00 . . . 159 LYS C . 16695 1 503 . 1 1 113 113 LYS CA C 13 60.372 0.013 . 1 1.00 . . . 159 LYS CA . 16695 1 504 . 1 1 113 113 LYS CB C 13 31.019 0.010 . 1 1.00 . . . 159 LYS CB . 16695 1 505 . 1 1 113 113 LYS N N 15 115.619 0.014 . 1 1.00 . . . 159 LYS N . 16695 1 506 . 1 1 114 114 LYS H H 1 7.763 0.005 . 1 1.00 . . . 160 LYS H . 16695 1 507 . 1 1 114 114 LYS C C 13 179.456 0.015 . 1 1.00 . . . 160 LYS C . 16695 1 508 . 1 1 114 114 LYS CA C 13 58.948 0.013 . 1 1.00 . . . 160 LYS CA . 16695 1 509 . 1 1 114 114 LYS CB C 13 30.924 0.010 . 1 1.00 . . . 160 LYS CB . 16695 1 510 . 1 1 114 114 LYS N N 15 121.053 0.050 . 1 1.00 . . . 160 LYS N . 16695 1 511 . 1 1 115 115 ILE H H 1 8.183 0.005 . 1 1.00 . . . 161 ILE H . 16695 1 512 . 1 1 115 115 ILE C C 13 178.930 0.022 . 1 1.00 . . . 161 ILE C . 16695 1 513 . 1 1 115 115 ILE CA C 13 64.643 0.013 . 1 1.00 . . . 161 ILE CA . 16695 1 514 . 1 1 115 115 ILE CB C 13 37.359 0.010 . 1 1.00 . . . 161 ILE CB . 16695 1 515 . 1 1 115 115 ILE N N 15 120.430 0.009 . 1 1.00 . . . 161 ILE N . 16695 1 516 . 1 1 116 116 ILE H H 1 8.750 0.005 . 1 1.00 . . . 162 ILE H . 16695 1 517 . 1 1 116 116 ILE C C 13 177.766 0.022 . 1 1.00 . . . 162 ILE C . 16695 1 518 . 1 1 116 116 ILE CA C 13 65.497 0.057 . 1 1.00 . . . 162 ILE CA . 16695 1 519 . 1 1 116 116 ILE CB C 13 36.718 0.031 . 1 1.00 . . . 162 ILE CB . 16695 1 520 . 1 1 116 116 ILE N N 15 119.457 0.028 . 1 1.00 . . . 162 ILE N . 16695 1 521 . 1 1 117 117 GLY H H 1 7.744 0.005 . 1 1.00 . . . 163 GLY H . 16695 1 522 . 1 1 117 117 GLY C C 13 175.983 0.014 . 1 1.00 . . . 163 GLY C . 16695 1 523 . 1 1 117 117 GLY CA C 13 46.498 0.045 . 1 1.00 . . . 163 GLY CA . 16695 1 524 . 1 1 117 117 GLY N N 15 102.965 0.008 . 1 1.00 . . . 163 GLY N . 16695 1 525 . 1 1 118 118 GLN H H 1 7.717 0.005 . 1 1.00 . . . 164 GLN H . 16695 1 526 . 1 1 118 118 GLN C C 13 178.246 0.067 . 1 1.00 . . . 164 GLN C . 16695 1 527 . 1 1 118 118 GLN CA C 13 57.576 0.054 . 1 1.00 . . . 164 GLN CA . 16695 1 528 . 1 1 118 118 GLN CB C 13 27.765 0.010 . 1 1.00 . . . 164 GLN CB . 16695 1 529 . 1 1 118 118 GLN N N 15 119.401 0.009 . 1 1.00 . . . 164 GLN N . 16695 1 530 . 1 1 119 119 VAL H H 1 7.660 0.005 . 1 1.00 . . . 165 VAL H . 16695 1 531 . 1 1 119 119 VAL C C 13 177.349 0.125 . 1 1.00 . . . 165 VAL C . 16695 1 532 . 1 1 119 119 VAL CA C 13 60.507 0.010 . 1 1.00 . . . 165 VAL CA . 16695 1 533 . 1 1 119 119 VAL CB C 13 32.012 0.069 . 1 1.00 . . . 165 VAL CB . 16695 1 534 . 1 1 119 119 VAL N N 15 109.983 0.037 . 1 1.00 . . . 165 VAL N . 16695 1 535 . 1 1 120 120 ARG H H 1 7.765 0.005 . 1 1.00 . . . 166 ARG H . 16695 1 536 . 1 1 120 120 ARG C C 13 177.121 0.031 . 1 1.00 . . . 166 ARG C . 16695 1 537 . 1 1 120 120 ARG CA C 13 57.719 0.013 . 1 1.00 . . . 166 ARG CA . 16695 1 538 . 1 1 120 120 ARG CB C 13 27.766 0.060 . 1 1.00 . . . 166 ARG CB . 16695 1 539 . 1 1 120 120 ARG N N 15 122.294 0.008 . 1 1.00 . . . 166 ARG N . 16695 1 540 . 1 1 121 121 ASP H H 1 8.383 0.005 . 1 1.00 . . . 167 ASP H . 16695 1 541 . 1 1 121 121 ASP C C 13 177.113 0.014 . 1 1.00 . . . 167 ASP C . 16695 1 542 . 1 1 121 121 ASP CA C 13 54.509 0.029 . 1 1.00 . . . 167 ASP CA . 16695 1 543 . 1 1 121 121 ASP CB C 13 38.987 0.092 . 1 1.00 . . . 167 ASP CB . 16695 1 544 . 1 1 121 121 ASP N N 15 113.746 0.020 . 1 1.00 . . . 167 ASP N . 16695 1 545 . 1 1 122 122 GLN H H 1 8.179 0.005 . 1 1.00 . . . 168 GLN H . 16695 1 546 . 1 1 122 122 GLN C C 13 174.749 0.048 . 1 1.00 . . . 168 GLN C . 16695 1 547 . 1 1 122 122 GLN CA C 13 55.493 0.056 . 1 1.00 . . . 168 GLN CA . 16695 1 548 . 1 1 122 122 GLN CB C 13 27.846 0.010 . 1 1.00 . . . 168 GLN CB . 16695 1 549 . 1 1 122 122 GLN N N 15 117.666 0.015 . 1 1.00 . . . 168 GLN N . 16695 1 550 . 1 1 123 123 ALA H H 1 7.519 0.005 . 1 1.00 . . . 169 ALA H . 16695 1 551 . 1 1 123 123 ALA C C 13 176.258 0.037 . 1 1.00 . . . 169 ALA C . 16695 1 552 . 1 1 123 123 ALA CA C 13 50.238 0.043 . 1 1.00 . . . 169 ALA CA . 16695 1 553 . 1 1 123 123 ALA CB C 13 21.435 0.010 . 1 1.00 . . . 169 ALA CB . 16695 1 554 . 1 1 123 123 ALA N N 15 120.815 0.009 . 1 1.00 . . . 169 ALA N . 16695 1 555 . 1 1 124 124 GLU H H 1 8.409 0.005 . 1 1.00 . . . 170 GLU H . 16695 1 556 . 1 1 124 124 GLU C C 13 177.190 0.039 . 1 1.00 . . . 170 GLU C . 16695 1 557 . 1 1 124 124 GLU CA C 13 58.146 0.045 . 1 1.00 . . . 170 GLU CA . 16695 1 558 . 1 1 124 124 GLU CB C 13 28.899 0.100 . 1 1.00 . . . 170 GLU CB . 16695 1 559 . 1 1 124 124 GLU N N 15 120.036 0.024 . 1 1.00 . . . 170 GLU N . 16695 1 560 . 1 1 125 125 HIS H H 1 7.869 0.005 . 1 1.00 . . . 171 HIS H . 16695 1 561 . 1 1 125 125 HIS C C 13 176.133 0.010 . 1 1.00 . . . 171 HIS C . 16695 1 562 . 1 1 125 125 HIS CA C 13 54.748 0.010 . 1 1.00 . . . 171 HIS CA . 16695 1 563 . 1 1 125 125 HIS CB C 13 32.051 0.010 . 1 1.00 . . . 171 HIS CB . 16695 1 564 . 1 1 125 125 HIS N N 15 115.836 0.038 . 1 1.00 . . . 171 HIS N . 16695 1 565 . 1 1 126 126 LEU C C 13 178.607 0.022 . 1 1.00 . . . 172 LEU C . 16695 1 566 . 1 1 126 126 LEU CA C 13 57.607 0.048 . 1 1.00 . . . 172 LEU CA . 16695 1 567 . 1 1 126 126 LEU CB C 13 39.117 0.010 . 1 1.00 . . . 172 LEU CB . 16695 1 568 . 1 1 127 127 LYS H H 1 9.429 0.005 . 1 1.00 . . . 173 LYS H . 16695 1 569 . 1 1 127 127 LYS C C 13 178.380 0.057 . 1 1.00 . . . 173 LYS C . 16695 1 570 . 1 1 127 127 LYS CA C 13 59.550 0.018 . 1 1.00 . . . 173 LYS CA . 16695 1 571 . 1 1 127 127 LYS CB C 13 29.516 0.010 . 1 1.00 . . . 173 LYS CB . 16695 1 572 . 1 1 127 127 LYS N N 15 115.612 0.009 . 1 1.00 . . . 173 LYS N . 16695 1 573 . 1 1 128 128 THR H H 1 7.059 0.005 . 1 1.00 . . . 174 THR H . 16695 1 574 . 1 1 128 128 THR C C 13 175.538 0.010 . 1 1.00 . . . 174 THR C . 16695 1 575 . 1 1 128 128 THR CA C 13 66.151 0.017 . 1 1.00 . . . 174 THR CA . 16695 1 576 . 1 1 128 128 THR CB C 13 67.385 0.062 . 1 1.00 . . . 174 THR CB . 16695 1 577 . 1 1 128 128 THR N N 15 117.668 0.009 . 1 1.00 . . . 174 THR N . 16695 1 578 . 1 1 129 129 ALA H H 1 7.525 0.005 . 1 1.00 . . . 175 ALA H . 16695 1 579 . 1 1 129 129 ALA C C 13 178.895 0.042 . 1 1.00 . . . 175 ALA C . 16695 1 580 . 1 1 129 129 ALA CA C 13 54.548 0.013 . 1 1.00 . . . 175 ALA CA . 16695 1 581 . 1 1 129 129 ALA CB C 13 17.444 0.065 . 1 1.00 . . . 175 ALA CB . 16695 1 582 . 1 1 129 129 ALA N N 15 124.532 0.028 . 1 1.00 . . . 175 ALA N . 16695 1 583 . 1 1 130 130 VAL H H 1 8.566 0.005 . 1 1.00 . . . 176 VAL H . 16695 1 584 . 1 1 130 130 VAL C C 13 176.695 0.037 . 1 1.00 . . . 176 VAL C . 16695 1 585 . 1 1 130 130 VAL CA C 13 66.519 0.013 . 1 1.00 . . . 176 VAL CA . 16695 1 586 . 1 1 130 130 VAL CB C 13 30.533 0.108 . 1 1.00 . . . 176 VAL CB . 16695 1 587 . 1 1 130 130 VAL N N 15 115.221 0.022 . 1 1.00 . . . 176 VAL N . 16695 1 588 . 1 1 131 131 GLN H H 1 7.061 0.005 . 1 1.00 . . . 177 GLN H . 16695 1 589 . 1 1 131 131 GLN C C 13 180.196 0.023 . 1 1.00 . . . 177 GLN C . 16695 1 590 . 1 1 131 131 GLN CA C 13 56.230 0.116 . 1 1.00 . . . 177 GLN CA . 16695 1 591 . 1 1 131 131 GLN CB C 13 25.637 0.010 . 1 1.00 . . . 177 GLN CB . 16695 1 592 . 1 1 131 131 GLN N N 15 114.008 0.008 . 1 1.00 . . . 177 GLN N . 16695 1 593 . 1 1 132 132 MET H H 1 8.253 0.005 . 1 1.00 . . . 178 MET H . 16695 1 594 . 1 1 132 132 MET C C 13 176.911 0.022 . 1 1.00 . . . 178 MET C . 16695 1 595 . 1 1 132 132 MET CA C 13 59.141 0.015 . 1 1.00 . . . 178 MET CA . 16695 1 596 . 1 1 132 132 MET CB C 13 32.280 0.105 . 1 1.00 . . . 178 MET CB . 16695 1 597 . 1 1 132 132 MET N N 15 120.312 0.010 . 1 1.00 . . . 178 MET N . 16695 1 598 . 1 1 133 133 ALA H H 1 8.146 0.005 . 1 1.00 . . . 179 ALA H . 16695 1 599 . 1 1 133 133 ALA C C 13 178.856 0.010 . 1 1.00 . . . 179 ALA C . 16695 1 600 . 1 1 133 133 ALA CA C 13 54.535 0.029 . 1 1.00 . . . 179 ALA CA . 16695 1 601 . 1 1 133 133 ALA CB C 13 19.236 0.031 . 1 1.00 . . . 179 ALA CB . 16695 1 602 . 1 1 133 133 ALA N N 15 120.808 0.024 . 1 1.00 . . . 179 ALA N . 16695 1 603 . 1 1 134 134 VAL H H 1 8.313 0.005 . 1 1.00 . . . 180 VAL H . 16695 1 604 . 1 1 134 134 VAL C C 13 176.725 0.018 . 1 1.00 . . . 180 VAL C . 16695 1 605 . 1 1 134 134 VAL CA C 13 66.843 0.013 . 1 1.00 . . . 180 VAL CA . 16695 1 606 . 1 1 134 134 VAL CB C 13 31.067 0.064 . 1 1.00 . . . 180 VAL CB . 16695 1 607 . 1 1 134 134 VAL N N 15 119.336 0.103 . 1 1.00 . . . 180 VAL N . 16695 1 608 . 1 1 135 135 PHE H H 1 7.895 0.005 . 1 1.00 . . . 181 PHE H . 16695 1 609 . 1 1 135 135 PHE C C 13 176.597 0.017 . 1 1.00 . . . 181 PHE C . 16695 1 610 . 1 1 135 135 PHE CA C 13 61.588 0.029 . 1 1.00 . . . 181 PHE CA . 16695 1 611 . 1 1 135 135 PHE CB C 13 38.042 0.101 . 1 1.00 . . . 181 PHE CB . 16695 1 612 . 1 1 135 135 PHE N N 15 119.064 0.130 . 1 1.00 . . . 181 PHE N . 16695 1 613 . 1 1 136 136 ILE H H 1 8.698 0.005 . 1 1.00 . . . 182 ILE H . 16695 1 614 . 1 1 136 136 ILE C C 13 179.219 0.061 . 1 1.00 . . . 182 ILE C . 16695 1 615 . 1 1 136 136 ILE CA C 13 64.643 0.013 . 1 1.00 . . . 182 ILE CA . 16695 1 616 . 1 1 136 136 ILE CB C 13 37.404 0.069 . 1 1.00 . . . 182 ILE CB . 16695 1 617 . 1 1 136 136 ILE N N 15 118.430 0.029 . 1 1.00 . . . 182 ILE N . 16695 1 618 . 1 1 137 137 HIS H H 1 8.823 0.005 . 1 1.00 . . . 183 HIS H . 16695 1 619 . 1 1 137 137 HIS C C 13 177.668 0.010 . 1 1.00 . . . 183 HIS C . 16695 1 620 . 1 1 137 137 HIS CA C 13 60.359 0.062 . 1 1.00 . . . 183 HIS CA . 16695 1 621 . 1 1 137 137 HIS CB C 13 28.874 0.135 . 1 1.00 . . . 183 HIS CB . 16695 1 622 . 1 1 137 137 HIS N N 15 116.833 0.009 . 1 1.00 . . . 183 HIS N . 16695 1 623 . 1 1 138 138 ASN H H 1 8.948 0.005 . 1 1.00 . . . 184 ASN H . 16695 1 624 . 1 1 138 138 ASN C C 13 177.159 0.032 . 1 1.00 . . . 184 ASN C . 16695 1 625 . 1 1 138 138 ASN CA C 13 54.930 0.022 . 1 1.00 . . . 184 ASN CA . 16695 1 626 . 1 1 138 138 ASN CB C 13 37.377 0.063 . 1 1.00 . . . 184 ASN CB . 16695 1 627 . 1 1 138 138 ASN N N 15 116.513 0.008 . 1 1.00 . . . 184 ASN N . 16695 1 628 . 1 1 139 139 LYS H H 1 7.893 0.005 . 1 1.00 . . . 185 LYS H . 16695 1 629 . 1 1 139 139 LYS C C 13 177.761 0.018 . 1 1.00 . . . 185 LYS C . 16695 1 630 . 1 1 139 139 LYS CA C 13 54.748 0.129 . 1 1.00 . . . 185 LYS CA . 16695 1 631 . 1 1 139 139 LYS CB C 13 31.059 0.061 . 1 1.00 . . . 185 LYS CB . 16695 1 632 . 1 1 139 139 LYS N N 15 114.522 0.008 . 1 1.00 . . . 185 LYS N . 16695 1 633 . 1 1 140 140 LYS H H 1 7.159 0.005 . 1 1.00 . . . 186 LYS H . 16695 1 634 . 1 1 140 140 LYS C C 13 176.537 0.032 . 1 1.00 . . . 186 LYS C . 16695 1 635 . 1 1 140 140 LYS CA C 13 56.877 0.013 . 1 1.00 . . . 186 LYS CA . 16695 1 636 . 1 1 140 140 LYS CB C 13 31.055 0.086 . 1 1.00 . . . 186 LYS CB . 16695 1 637 . 1 1 140 140 LYS N N 15 120.619 0.016 . 1 1.00 . . . 186 LYS N . 16695 1 638 . 1 1 141 141 ARG H H 1 8.732 0.005 . 1 1.00 . . . 187 ARG H . 16695 1 639 . 1 1 141 141 ARG C C 13 176.174 0.023 . 1 1.00 . . . 187 ARG C . 16695 1 640 . 1 1 141 141 ARG CA C 13 55.977 0.010 . 1 1.00 . . . 187 ARG CA . 16695 1 641 . 1 1 141 141 ARG CB C 13 29.403 0.064 . 1 1.00 . . . 187 ARG CB . 16695 1 642 . 1 1 141 141 ARG N N 15 126.920 0.008 . 1 1.00 . . . 187 ARG N . 16695 1 643 . 1 1 142 142 LYS H H 1 8.033 0.005 . 1 1.00 . . . 188 LYS H . 16695 1 644 . 1 1 142 142 LYS C C 13 176.765 0.086 . 1 1.00 . . . 188 LYS C . 16695 1 645 . 1 1 142 142 LYS CA C 13 55.966 0.014 . 1 1.00 . . . 188 LYS CA . 16695 1 646 . 1 1 142 142 LYS CB C 13 32.051 0.010 . 1 1.00 . . . 188 LYS CB . 16695 1 647 . 1 1 142 142 LYS N N 15 124.545 0.010 . 1 1.00 . . . 188 LYS N . 16695 1 648 . 1 1 143 143 GLY H H 1 8.520 0.005 . 1 1.00 . . . 189 GLY H . 16695 1 649 . 1 1 143 143 GLY C C 13 174.515 0.010 . 1 1.00 . . . 189 GLY C . 16695 1 650 . 1 1 143 143 GLY CA C 13 44.671 0.060 . 1 1.00 . . . 189 GLY CA . 16695 1 651 . 1 1 143 143 GLY N N 15 110.342 0.010 . 1 1.00 . . . 189 GLY N . 16695 1 652 . 1 1 144 144 GLY H H 1 8.107 0.005 . 1 1.00 . . . 190 GLY H . 16695 1 653 . 1 1 144 144 GLY C C 13 174.521 0.041 . 1 1.00 . . . 190 GLY C . 16695 1 654 . 1 1 144 144 GLY CA C 13 44.236 0.056 . 1 1.00 . . . 190 GLY CA . 16695 1 655 . 1 1 144 144 GLY N N 15 108.484 0.008 . 1 1.00 . . . 190 GLY N . 16695 1 656 . 1 1 145 145 ILE H H 1 8.245 0.005 . 1 1.00 . . . 191 ILE H . 16695 1 657 . 1 1 145 145 ILE C C 13 177.485 0.035 . 1 1.00 . . . 191 ILE C . 16695 1 658 . 1 1 145 145 ILE CA C 13 62.060 0.010 . 1 1.00 . . . 191 ILE CA . 16695 1 659 . 1 1 145 145 ILE CB C 13 36.669 0.065 . 1 1.00 . . . 191 ILE CB . 16695 1 660 . 1 1 145 145 ILE N N 15 121.384 0.038 . 1 1.00 . . . 191 ILE N . 16695 1 661 . 1 1 146 146 GLY H H 1 8.653 0.005 . 1 1.00 . . . 192 GLY H . 16695 1 662 . 1 1 146 146 GLY C C 13 174.651 0.014 . 1 1.00 . . . 192 GLY C . 16695 1 663 . 1 1 146 146 GLY CA C 13 44.735 0.095 . 1 1.00 . . . 192 GLY CA . 16695 1 664 . 1 1 146 146 GLY N N 15 113.141 0.039 . 1 1.00 . . . 192 GLY N . 16695 1 665 . 1 1 147 147 GLY H H 1 7.888 0.005 . 1 1.00 . . . 193 GLY H . 16695 1 666 . 1 1 147 147 GLY C C 13 173.221 0.010 . 1 1.00 . . . 193 GLY C . 16695 1 667 . 1 1 147 147 GLY CA C 13 44.473 0.077 . 1 1.00 . . . 193 GLY CA . 16695 1 668 . 1 1 147 147 GLY N N 15 108.110 0.015 . 1 1.00 . . . 193 GLY N . 16695 1 669 . 1 1 148 148 TYR H H 1 7.731 0.005 . 1 1.00 . . . 194 TYR H . 16695 1 670 . 1 1 148 148 TYR C C 13 176.456 0.010 . 1 1.00 . . . 194 TYR C . 16695 1 671 . 1 1 148 148 TYR CA C 13 55.977 0.010 . 1 1.00 . . . 194 TYR CA . 16695 1 672 . 1 1 148 148 TYR CB C 13 39.468 0.078 . 1 1.00 . . . 194 TYR CB . 16695 1 673 . 1 1 148 148 TYR N N 15 117.281 0.012 . 1 1.00 . . . 194 TYR N . 16695 1 674 . 1 1 149 149 SER H H 1 8.813 0.005 . 1 1.00 . . . 195 SER H . 16695 1 675 . 1 1 149 149 SER C C 13 175.298 0.014 . 1 1.00 . . . 195 SER C . 16695 1 676 . 1 1 149 149 SER CA C 13 56.054 0.055 . 1 1.00 . . . 195 SER CA . 16695 1 677 . 1 1 149 149 SER CB C 13 65.521 0.061 . 1 1.00 . . . 195 SER CB . 16695 1 678 . 1 1 149 149 SER N N 15 117.797 0.008 . 1 1.00 . . . 195 SER N . 16695 1 679 . 1 1 150 150 ALA H H 1 9.850 0.005 . 1 1.00 . . . 196 ALA H . 16695 1 680 . 1 1 150 150 ALA C C 13 179.730 0.042 . 1 1.00 . . . 196 ALA C . 16695 1 681 . 1 1 150 150 ALA CA C 13 55.493 0.045 . 1 1.00 . . . 196 ALA CA . 16695 1 682 . 1 1 150 150 ALA CB C 13 16.054 0.010 . 1 1.00 . . . 196 ALA CB . 16695 1 683 . 1 1 150 150 ALA N N 15 125.634 0.008 . 1 1.00 . . . 196 ALA N . 16695 1 684 . 1 1 151 151 GLY H H 1 8.969 0.005 . 1 1.00 . . . 197 GLY H . 16695 1 685 . 1 1 151 151 GLY C C 13 175.882 0.015 . 1 1.00 . . . 197 GLY C . 16695 1 686 . 1 1 151 151 GLY CA C 13 46.226 0.043 . 1 1.00 . . . 197 GLY CA . 16695 1 687 . 1 1 151 151 GLY N N 15 102.323 0.008 . 1 1.00 . . . 197 GLY N . 16695 1 688 . 1 1 152 152 GLU H H 1 7.504 0.005 . 1 1.00 . . . 198 GLU H . 16695 1 689 . 1 1 152 152 GLU C C 13 178.265 0.078 . 1 1.00 . . . 198 GLU C . 16695 1 690 . 1 1 152 152 GLU CA C 13 57.680 0.043 . 1 1.00 . . . 198 GLU CA . 16695 1 691 . 1 1 152 152 GLU CB C 13 28.924 0.071 . 1 1.00 . . . 198 GLU CB . 16695 1 692 . 1 1 152 152 GLU N N 15 119.923 0.017 . 1 1.00 . . . 198 GLU N . 16695 1 693 . 1 1 153 153 ARG H H 1 8.647 0.005 . 1 1.00 . . . 199 ARG H . 16695 1 694 . 1 1 153 153 ARG C C 13 178.397 0.010 . 1 1.00 . . . 199 ARG C . 16695 1 695 . 1 1 153 153 ARG CA C 13 58.405 0.045 . 1 1.00 . . . 199 ARG CA . 16695 1 696 . 1 1 153 153 ARG CB C 13 29.121 0.118 . 1 1.00 . . . 199 ARG CB . 16695 1 697 . 1 1 153 153 ARG N N 15 119.468 0.008 . 1 1.00 . . . 199 ARG N . 16695 1 698 . 1 1 154 154 ILE H H 1 8.307 0.005 . 1 1.00 . . . 200 ILE H . 16695 1 699 . 1 1 154 154 ILE C C 13 175.565 0.038 . 1 1.00 . . . 200 ILE C . 16695 1 700 . 1 1 154 154 ILE CA C 13 65.930 0.022 . 1 1.00 . . . 200 ILE CA . 16695 1 701 . 1 1 154 154 ILE CB C 13 34.295 0.010 . 1 1.00 . . . 200 ILE CB . 16695 1 702 . 1 1 154 154 ILE N N 15 117.216 0.012 . 1 1.00 . . . 200 ILE N . 16695 1 703 . 1 1 155 155 VAL H H 1 6.149 0.005 . 1 1.00 . . . 201 VAL H . 16695 1 704 . 1 1 155 155 VAL C C 13 176.602 0.015 . 1 1.00 . . . 201 VAL C . 16695 1 705 . 1 1 155 155 VAL CA C 13 66.243 0.030 . 1 1.00 . . . 201 VAL CA . 16695 1 706 . 1 1 155 155 VAL CB C 13 30.107 0.170 . 1 1.00 . . . 201 VAL CB . 16695 1 707 . 1 1 155 155 VAL N N 15 119.134 0.008 . 1 1.00 . . . 201 VAL N . 16695 1 708 . 1 1 156 156 ASP H H 1 7.831 0.005 . 1 1.00 . . . 202 ASP H . 16695 1 709 . 1 1 156 156 ASP C C 13 179.051 0.022 . 1 1.00 . . . 202 ASP C . 16695 1 710 . 1 1 156 156 ASP CA C 13 57.194 0.015 . 1 1.00 . . . 202 ASP CA . 16695 1 711 . 1 1 156 156 ASP CB C 13 41.580 0.073 . 1 1.00 . . . 202 ASP CB . 16695 1 712 . 1 1 156 156 ASP N N 15 118.586 0.029 . 1 1.00 . . . 202 ASP N . 16695 1 713 . 1 1 157 157 ILE H H 1 8.522 0.005 . 1 1.00 . . . 203 ILE H . 16695 1 714 . 1 1 157 157 ILE C C 13 178.935 0.018 . 1 1.00 . . . 203 ILE C . 16695 1 715 . 1 1 157 157 ILE CA C 13 64.635 0.010 . 1 1.00 . . . 203 ILE CA . 16695 1 716 . 1 1 157 157 ILE CB C 13 37.441 0.071 . 1 1.00 . . . 203 ILE CB . 16695 1 717 . 1 1 157 157 ILE N N 15 119.608 0.026 . 1 1.00 . . . 203 ILE N . 16695 1 718 . 1 1 158 158 ILE H H 1 8.350 0.005 . 1 0.67 . . . 204 ILE H . 16695 1 719 . 1 1 158 158 ILE C C 13 178.165 0.010 . 1 0.67 . . . 204 ILE C . 16695 1 720 . 1 1 158 158 ILE CA C 13 63.814 0.035 . 1 0.67 . . . 204 ILE CA . 16695 1 721 . 1 1 158 158 ILE CB C 13 35.772 0.078 . 1 0.67 . . . 204 ILE CB . 16695 1 722 . 1 1 158 158 ILE N N 15 119.945 0.134 . 1 0.67 . . . 204 ILE N . 16695 1 723 . 1 1 159 159 ALA H H 1 8.819 0.005 . 1 0.67 . . . 205 ALA H . 16695 1 724 . 1 1 159 159 ALA C C 13 180.152 0.015 . 1 0.67 . . . 205 ALA C . 16695 1 725 . 1 1 159 159 ALA CA C 13 54.613 0.013 . 1 0.67 . . . 205 ALA CA . 16695 1 726 . 1 1 159 159 ALA CB C 13 17.299 0.093 . 1 0.67 . . . 205 ALA CB . 16695 1 727 . 1 1 159 159 ALA N N 15 122.296 0.009 . 1 0.67 . . . 205 ALA N . 16695 1 728 . 1 1 160 160 THR H H 1 7.888 0.005 . 1 0.67 . . . 206 THR H . 16695 1 729 . 1 1 160 160 THR C C 13 175.292 0.030 . 1 0.67 . . . 206 THR C . 16695 1 730 . 1 1 160 160 THR CA C 13 64.526 0.035 . 1 0.67 . . . 206 THR CA . 16695 1 731 . 1 1 160 160 THR CB C 13 68.776 0.077 . 1 0.67 . . . 206 THR CB . 16695 1 732 . 1 1 160 160 THR N N 15 112.181 0.039 . 1 0.67 . . . 206 THR N . 16695 1 733 . 1 1 161 161 ASP H H 1 7.728 0.005 . 1 0.67 . . . 207 ASP H . 16695 1 734 . 1 1 161 161 ASP C C 13 177.052 0.029 . 1 0.67 . . . 207 ASP C . 16695 1 735 . 1 1 161 161 ASP CA C 13 55.648 0.013 . 1 0.67 . . . 207 ASP CA . 16695 1 736 . 1 1 161 161 ASP CB C 13 41.586 0.071 . 1 0.67 . . . 207 ASP CB . 16695 1 737 . 1 1 161 161 ASP N N 15 122.601 0.026 . 1 0.67 . . . 207 ASP N . 16695 1 738 . 1 1 162 162 ILE H H 1 7.935 0.005 . 1 0.67 . . . 208 ILE H . 16695 1 739 . 1 1 162 162 ILE C C 13 177.088 0.022 . 1 0.67 . . . 208 ILE C . 16695 1 740 . 1 1 162 162 ILE CA C 13 62.572 0.013 . 1 0.67 . . . 208 ILE CA . 16695 1 741 . 1 1 162 162 ILE CB C 13 37.406 0.070 . 1 0.67 . . . 208 ILE CB . 16695 1 742 . 1 1 162 162 ILE N N 15 118.454 0.029 . 1 0.67 . . . 208 ILE N . 16695 1 743 . 1 1 163 163 GLU H H 1 8.014 0.005 . 1 0.67 . . . 209 GLU H . 16695 1 744 . 1 1 163 163 GLU C C 13 176.982 0.015 . 1 0.67 . . . 209 GLU C . 16695 1 745 . 1 1 163 163 GLU CA C 13 56.683 0.013 . 1 0.67 . . . 209 GLU CA . 16695 1 746 . 1 1 163 163 GLU CB C 13 29.019 0.086 . 1 0.67 . . . 209 GLU CB . 16695 1 747 . 1 1 163 163 GLU N N 15 121.908 0.008 . 1 0.67 . . . 209 GLU N . 16695 1 748 . 1 1 164 164 THR H H 1 8.047 0.005 . 1 0.67 . . . 210 THR H . 16695 1 749 . 1 1 164 164 THR C C 13 174.521 0.014 . 1 0.67 . . . 210 THR C . 16695 1 750 . 1 1 164 164 THR CA C 13 61.977 0.029 . 1 0.67 . . . 210 THR CA . 16695 1 751 . 1 1 164 164 THR CB C 13 68.835 0.123 . 1 0.67 . . . 210 THR CB . 16695 1 752 . 1 1 164 164 THR N N 15 114.586 0.008 . 1 0.67 . . . 210 THR N . 16695 1 753 . 1 1 165 165 LYS H H 1 8.146 0.005 . 1 0.67 . . . 211 LYS H . 16695 1 754 . 1 1 165 165 LYS C C 13 175.621 0.014 . 1 0.67 . . . 211 LYS C . 16695 1 755 . 1 1 165 165 LYS CA C 13 55.777 0.013 . 1 0.67 . . . 211 LYS CA . 16695 1 756 . 1 1 165 165 LYS CB C 13 32.014 0.070 . 1 0.67 . . . 211 LYS CB . 16695 1 757 . 1 1 165 165 LYS N N 15 124.157 0.008 . 1 0.67 . . . 211 LYS N . 16695 1 758 . 1 1 166 166 GLU H H 1 7.971 0.005 . 1 0.67 . . . 212 GLU H . 16695 1 759 . 1 1 166 166 GLU C C 13 181.115 0.010 . 1 0.67 . . . 212 GLU C . 16695 1 760 . 1 1 166 166 GLU CA C 13 57.595 0.010 . 1 0.67 . . . 212 GLU CA . 16695 1 761 . 1 1 166 166 GLU CB C 13 30.031 0.010 . 1 0.67 . . . 212 GLU CB . 16695 1 762 . 1 1 166 166 GLU N N 15 126.848 0.024 . 1 0.67 . . . 212 GLU N . 16695 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 16695 _Assigned_chem_shift_list.ID 2 _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 $chemical_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 'Proton and nitrogen chemical shifts have been corrected (46 Hz) to account for TROSY sequences used.' _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' . . . 16695 2 2 '3D HNCO' . . . 16695 2 3 '3D HN(CA)CO' . . . 16695 2 4 '3D HNCA' . . . 16695 2 5 '3D HN(CO)CA' . . . 16695 2 6 '3D HN(COCA)CB' . . . 16695 2 7 '3D HN(CA)CB' . . . 16695 2 8 '3D 1H-15N NOESY' . . . 16695 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16695 2 2 $SPARKY . . 16695 2 3 $CARA . . 16695 2 4 $AutoLink . . 16695 2 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 1 158 158 ILE C C 13 175.889 0.022 . 1 0.33 . . . 204 ILE C . 16695 2 2 . 1 1 158 158 ILE CA C 13 60.428 0.021 . 1 0.33 . . . 204 ILE CA . 16695 2 3 . 1 1 158 158 ILE CB C 13 37.385 0.084 . 1 0.33 . . . 204 ILE CB . 16695 2 4 . 1 1 159 159 ALA H H 1 8.316 0.005 . 1 0.33 . . . 205 ALA H . 16695 2 5 . 1 1 159 159 ALA C C 13 177.610 0.010 . 1 0.33 . . . 205 ALA C . 16695 2 6 . 1 1 159 159 ALA CA C 13 52.030 0.010 . 1 0.33 . . . 205 ALA CA . 16695 2 7 . 1 1 159 159 ALA CB C 13 18.415 0.070 . 1 0.33 . . . 205 ALA CB . 16695 2 8 . 1 1 159 159 ALA N N 15 128.002 0.024 . 1 0.33 . . . 205 ALA N . 16695 2 9 . 1 1 160 160 THR H H 1 8.060 0.005 . 1 0.33 . . . 206 THR H . 16695 2 10 . 1 1 160 160 THR C C 13 174.227 0.010 . 1 0.33 . . . 206 THR C . 16695 2 11 . 1 1 160 160 THR CA C 13 61.342 0.013 . 1 0.33 . . . 206 THR CA . 16695 2 12 . 1 1 160 160 THR CB C 13 68.947 0.170 . 1 0.33 . . . 206 THR CB . 16695 2 13 . 1 1 160 160 THR N N 15 112.852 0.008 . 1 0.33 . . . 206 THR N . 16695 2 14 . 1 1 161 161 ASP H H 1 8.316 0.005 . 1 0.33 . . . 207 ASP H . 16695 2 15 . 1 1 161 161 ASP C C 13 176.010 0.011 . 1 0.33 . . . 207 ASP C . 16695 2 16 . 1 1 161 161 ASP CA C 13 53.886 0.019 . 1 0.33 . . . 207 ASP CA . 16695 2 17 . 1 1 161 161 ASP CB C 13 40.392 0.095 . 1 0.33 . . . 207 ASP CB . 16695 2 18 . 1 1 161 161 ASP N N 15 122.294 0.008 . 1 0.33 . . . 207 ASP N . 16695 2 19 . 1 1 162 162 ILE H H 1 7.981 0.005 . 1 0.33 . . . 208 ILE H . 16695 2 20 . 1 1 162 162 ILE C C 13 176.198 0.010 . 1 0.33 . . . 208 ILE C . 16695 2 21 . 1 1 162 162 ILE CA C 13 60.777 0.031 . 1 0.33 . . . 208 ILE CA . 16695 2 22 . 1 1 162 162 ILE CB C 13 37.582 0.090 . 1 0.33 . . . 208 ILE CB . 16695 2 23 . 1 1 162 162 ILE N N 15 120.109 0.008 . 1 0.33 . . . 208 ILE N . 16695 2 24 . 1 1 163 163 GLU H H 1 8.409 0.005 . 1 0.33 . . . 209 GLU H . 16695 2 25 . 1 1 163 163 GLU C C 13 176.488 0.036 . 1 0.33 . . . 209 GLU C . 16695 2 26 . 1 1 163 163 GLU CA C 13 56.042 0.010 . 1 0.33 . . . 209 GLU CA . 16695 2 27 . 1 1 163 163 GLU CB C 13 29.229 0.083 . 1 0.33 . . . 209 GLU CB . 16695 2 28 . 1 1 163 163 GLU N N 15 124.284 0.008 . 1 0.33 . . . 209 GLU N . 16695 2 29 . 1 1 164 164 THR H H 1 8.185 0.005 . 1 0.33 . . . 210 THR H . 16695 2 30 . 1 1 164 164 THR C C 13 174.224 0.045 . 1 0.33 . . . 210 THR C . 16695 2 31 . 1 1 164 164 THR CA C 13 61.407 0.013 . 1 0.33 . . . 210 THR CA . 16695 2 32 . 1 1 164 164 THR CB C 13 68.923 0.208 . 1 0.33 . . . 210 THR CB . 16695 2 33 . 1 1 164 164 THR N N 15 116.240 0.030 . 1 0.33 . . . 210 THR N . 16695 2 34 . 1 1 165 165 LYS H H 1 8.356 0.005 . 1 0.33 . . . 211 LYS H . 16695 2 35 . 1 1 165 165 LYS C C 13 175.538 0.028 . 1 0.33 . . . 211 LYS C . 16695 2 36 . 1 1 165 165 LYS CA C 13 55.704 0.014 . 1 0.33 . . . 211 LYS CA . 16695 2 37 . 1 1 165 165 LYS CB C 13 32.014 0.070 . 1 0.33 . . . 211 LYS CB . 16695 2 38 . 1 1 165 165 LYS N N 15 124.479 0.008 . 1 0.33 . . . 211 LYS N . 16695 2 39 . 1 1 166 166 GLU H H 1 8.021 0.005 . 1 0.33 . . . 212 GLU H . 16695 2 40 . 1 1 166 166 GLU C C 13 181.050 0.010 . 1 0.33 . . . 212 GLU C . 16695 2 41 . 1 1 166 166 GLU CA C 13 57.530 0.010 . 1 0.33 . . . 212 GLU CA . 16695 2 42 . 1 1 166 166 GLU CB C 13 30.031 0.010 . 1 0.33 . . . 212 GLU CB . 16695 2 43 . 1 1 166 166 GLU N N 15 127.174 0.008 . 1 0.33 . . . 212 GLU N . 16695 2 stop_ save_