################################### # 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 12036 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 . _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' 1 $sample_1 isotropic 12036 1 2 '3D HNCO' 1 $sample_1 isotropic 12036 1 3 '3D HN(CA)CO' 1 $sample_1 isotropic 12036 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 12036 1 5 '3D HNCA' 1 $sample_1 isotropic 12036 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 12036 1 7 '3D HNCACB' 1 $sample_1 isotropic 12036 1 8 '3D C(CO)NH' 1 $sample_1 isotropic 12036 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Magro . . 12036 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 87 87 CYS H H 1 8.261 0.030 . 1 . . . . . 87 CYS H . 12036 1 2 . 1 . 1 87 87 CYS C C 13 174.907 0.300 . 1 . . . . . 87 CYS C . 12036 1 3 . 1 . 1 87 87 CYS CA C 13 58.929 0.300 . 1 . . . . . 87 CYS CA . 12036 1 4 . 1 . 1 87 87 CYS CB C 13 27.780 0.300 . 1 . . . . . 87 CYS CB . 12036 1 5 . 1 . 1 87 87 CYS N N 15 117.733 0.300 . 1 . . . . . 87 CYS N . 12036 1 6 . 1 . 1 88 88 LYS H H 1 8.286 0.030 . 1 . . . . . 88 LYS H . 12036 1 7 . 1 . 1 88 88 LYS C C 13 176.611 0.300 . 1 . . . . . 88 LYS C . 12036 1 8 . 1 . 1 88 88 LYS CA C 13 56.481 0.300 . 1 . . . . . 88 LYS CA . 12036 1 9 . 1 . 1 88 88 LYS CB C 13 33.087 0.300 . 1 . . . . . 88 LYS CB . 12036 1 10 . 1 . 1 88 88 LYS N N 15 123.537 0.300 . 1 . . . . . 88 LYS N . 12036 1 11 . 1 . 1 89 89 LYS H H 1 8.402 0.030 . 1 . . . . . 89 LYS H . 12036 1 12 . 1 . 1 89 89 LYS C C 13 176.538 0.300 . 1 . . . . . 89 LYS C . 12036 1 13 . 1 . 1 89 89 LYS CA C 13 56.462 0.300 . 1 . . . . . 89 LYS CA . 12036 1 14 . 1 . 1 89 89 LYS CB C 13 33.173 0.300 . 1 . . . . . 89 LYS CB . 12036 1 15 . 1 . 1 89 89 LYS N N 15 123.473 0.300 . 1 . . . . . 89 LYS N . 12036 1 16 . 1 . 1 90 90 LYS H H 1 8.438 0.030 . 1 . . . . . 90 LYS H . 12036 1 17 . 1 . 1 90 90 LYS C C 13 175.012 0.300 . 1 . . . . . 90 LYS C . 12036 1 18 . 1 . 1 90 90 LYS CA C 13 56.131 0.300 . 1 . . . . . 90 LYS CA . 12036 1 19 . 1 . 1 90 90 LYS CB C 13 30.110 0.300 . 1 . . . . . 90 LYS CB . 12036 1 20 . 1 . 1 90 90 LYS N N 15 120.498 0.300 . 1 . . . . . 90 LYS N . 12036 1 21 . 1 . 1 93 93 LYS C C 13 176.768 0.300 . 1 . . . . . 93 LYS C . 12036 1 22 . 1 . 1 93 93 LYS CA C 13 56.757 0.300 . 1 . . . . . 93 LYS CA . 12036 1 23 . 1 . 1 93 93 LYS CB C 13 33.130 0.300 . 1 . . . . . 93 LYS CB . 12036 1 24 . 1 . 1 94 94 SER H H 1 8.371 0.030 . 1 . . . . . 94 SER H . 12036 1 25 . 1 . 1 94 94 SER C C 13 174.672 0.300 . 1 . . . . . 94 SER C . 12036 1 26 . 1 . 1 94 94 SER CA C 13 58.358 0.300 . 1 . . . . . 94 SER CA . 12036 1 27 . 1 . 1 94 94 SER CB C 13 63.674 0.300 . 1 . . . . . 94 SER CB . 12036 1 28 . 1 . 1 94 94 SER N N 15 116.890 0.300 . 1 . . . . . 94 SER N . 12036 1 29 . 1 . 1 95 95 GLU H H 1 8.454 0.030 . 1 . . . . . 95 GLU H . 12036 1 30 . 1 . 1 95 95 GLU C C 13 176.586 0.300 . 1 . . . . . 95 GLU C . 12036 1 31 . 1 . 1 95 95 GLU CA C 13 56.407 0.300 . 1 . . . . . 95 GLU CA . 12036 1 32 . 1 . 1 95 95 GLU CB C 13 33.044 0.300 . 1 . . . . . 95 GLU CB . 12036 1 33 . 1 . 1 95 95 GLU N N 15 123.740 0.300 . 1 . . . . . 95 GLU N . 12036 1 34 . 1 . 1 96 96 LYS H H 1 8.465 0.030 . 1 . . . . . 96 LYS H . 12036 1 35 . 1 . 1 96 96 LYS C C 13 176.675 0.300 . 1 . . . . . 96 LYS C . 12036 1 36 . 1 . 1 96 96 LYS CA C 13 56.591 0.300 . 1 . . . . . 96 LYS CA . 12036 1 37 . 1 . 1 96 96 LYS CB C 13 33.044 0.300 . 1 . . . . . 96 LYS CB . 12036 1 38 . 1 . 1 96 96 LYS N N 15 123.321 0.300 . 1 . . . . . 96 LYS N . 12036 1 39 . 1 . 1 97 97 LYS H H 1 8.257 0.030 . 1 . . . . . 97 LYS H . 12036 1 40 . 1 . 1 97 97 LYS C C 13 176.645 0.300 . 1 . . . . . 97 LYS C . 12036 1 41 . 1 . 1 97 97 LYS CA C 13 56.609 0.300 . 1 . . . . . 97 LYS CA . 12036 1 42 . 1 . 1 97 97 LYS CB C 13 33.044 0.300 . 1 . . . . . 97 LYS CB . 12036 1 43 . 1 . 1 97 97 LYS N N 15 122.391 0.300 . 1 . . . . . 97 LYS N . 12036 1 44 . 1 . 1 98 98 GLU H H 1 8.543 0.030 . 1 . . . . . 98 GLU H . 12036 1 45 . 1 . 1 98 98 GLU C C 13 176.611 0.300 . 1 . . . . . 98 GLU C . 12036 1 46 . 1 . 1 98 98 GLU CA C 13 56.665 0.300 . 1 . . . . . 98 GLU CA . 12036 1 47 . 1 . 1 98 98 GLU CB C 13 33.046 0.300 . 1 . . . . . 98 GLU CB . 12036 1 48 . 1 . 1 98 98 GLU N N 15 122.436 0.300 . 1 . . . . . 98 GLU N . 12036 1 49 . 1 . 1 99 99 LYS H H 1 8.341 0.030 . 1 . . . . . 99 LYS H . 12036 1 50 . 1 . 1 99 99 LYS C C 13 176.553 0.300 . 1 . . . . . 99 LYS C . 12036 1 51 . 1 . 1 99 99 LYS CA C 13 56.517 0.300 . 1 . . . . . 99 LYS CA . 12036 1 52 . 1 . 1 99 99 LYS CB C 13 33.087 0.300 . 1 . . . . . 99 LYS CB . 12036 1 53 . 1 . 1 99 99 LYS N N 15 122.900 0.300 . 1 . . . . . 99 LYS N . 12036 1 54 . 1 . 1 100 100 LYS H H 1 8.419 0.030 . 1 . . . . . 100 LYS H . 12036 1 55 . 1 . 1 100 100 LYS C C 13 176.461 0.300 . 1 . . . . . 100 LYS C . 12036 1 56 . 1 . 1 100 100 LYS CA C 13 56.536 0.300 . 1 . . . . . 100 LYS CA . 12036 1 57 . 1 . 1 100 100 LYS CB C 13 30.628 0.300 . 1 . . . . . 100 LYS CB . 12036 1 58 . 1 . 1 100 100 LYS N N 15 122.273 0.300 . 1 . . . . . 100 LYS N . 12036 1 59 . 1 . 1 102 102 LYS C C 13 176.415 0.300 . 1 . . . . . 102 LYS C . 12036 1 60 . 1 . 1 102 102 LYS CA C 13 56.499 0.300 . 1 . . . . . 102 LYS CA . 12036 1 61 . 1 . 1 102 102 LYS CB C 13 30.369 0.300 . 1 . . . . . 102 LYS CB . 12036 1 62 . 1 . 1 103 103 LYS H H 1 8.386 0.030 . 1 . . . . . 103 LYS H . 12036 1 63 . 1 . 1 103 103 LYS C C 13 176.564 0.300 . 1 . . . . . 103 LYS C . 12036 1 64 . 1 . 1 103 103 LYS CA C 13 56.517 0.300 . 1 . . . . . 103 LYS CA . 12036 1 65 . 1 . 1 103 103 LYS CB C 13 33.044 0.300 . 1 . . . . . 103 LYS CB . 12036 1 66 . 1 . 1 103 103 LYS N N 15 123.141 0.300 . 1 . . . . . 103 LYS N . 12036 1 67 . 1 . 1 104 104 HIS H H 1 8.420 0.030 . 1 . . . . . 104 HIS H . 12036 1 68 . 1 . 1 104 104 HIS C C 13 176.553 0.300 . 1 . . . . . 104 HIS C . 12036 1 69 . 1 . 1 104 104 HIS CA C 13 56.554 0.300 . 1 . . . . . 104 HIS CA . 12036 1 70 . 1 . 1 104 104 HIS CB C 13 33.002 0.300 . 1 . . . . . 104 HIS CB . 12036 1 71 . 1 . 1 104 104 HIS N N 15 122.091 0.300 . 1 . . . . . 104 HIS N . 12036 1 72 . 1 . 1 105 105 LYS H H 1 8.331 0.030 . 1 . . . . . 105 LYS H . 12036 1 73 . 1 . 1 105 105 LYS C C 13 176.611 0.300 . 1 . . . . . 105 LYS C . 12036 1 74 . 1 . 1 105 105 LYS CA C 13 56.591 0.300 . 1 . . . . . 105 LYS CA . 12036 1 75 . 1 . 1 105 105 LYS CB C 13 33.044 0.300 . 1 . . . . . 105 LYS CB . 12036 1 76 . 1 . 1 105 105 LYS N N 15 122.733 0.300 . 1 . . . . . 105 LYS N . 12036 1 77 . 1 . 1 106 106 GLU H H 1 8.391 0.030 . 1 . . . . . 106 GLU H . 12036 1 78 . 1 . 1 106 106 GLU C C 13 176.570 0.300 . 1 . . . . . 106 GLU C . 12036 1 79 . 1 . 1 106 106 GLU CA C 13 56.775 0.300 . 1 . . . . . 106 GLU CA . 12036 1 80 . 1 . 1 106 106 GLU CB C 13 30.239 0.300 . 1 . . . . . 106 GLU CB . 12036 1 81 . 1 . 1 106 106 GLU N N 15 121.924 0.300 . 1 . . . . . 106 GLU N . 12036 1 82 . 1 . 1 107 107 LYS H H 1 8.338 0.030 . 1 . . . . . 107 LYS H . 12036 1 83 . 1 . 1 107 107 LYS C C 13 176.565 0.300 . 1 . . . . . 107 LYS C . 12036 1 84 . 1 . 1 107 107 LYS CA C 13 56.665 0.300 . 1 . . . . . 107 LYS CA . 12036 1 85 . 1 . 1 107 107 LYS CB C 13 30.338 0.300 . 1 . . . . . 107 LYS CB . 12036 1 86 . 1 . 1 107 107 LYS N N 15 122.048 0.300 . 1 . . . . . 107 LYS N . 12036 1 87 . 1 . 1 108 108 GLU H H 1 8.310 0.030 . 1 . . . . . 108 GLU H . 12036 1 88 . 1 . 1 108 108 GLU C C 13 176.565 0.300 . 1 . . . . . 108 GLU C . 12036 1 89 . 1 . 1 108 108 GLU CA C 13 56.591 0.300 . 1 . . . . . 108 GLU CA . 12036 1 90 . 1 . 1 108 108 GLU CB C 13 33.001 0.300 . 1 . . . . . 108 GLU CB . 12036 1 91 . 1 . 1 108 108 GLU N N 15 122.323 0.300 . 1 . . . . . 108 GLU N . 12036 1 92 . 1 . 1 109 109 ARG H H 1 8.385 0.030 . 1 . . . . . 109 ARG H . 12036 1 93 . 1 . 1 109 109 ARG C C 13 176.495 0.300 . 1 . . . . . 109 ARG C . 12036 1 94 . 1 . 1 109 109 ARG CA C 13 56.444 0.300 . 1 . . . . . 109 ARG CA . 12036 1 95 . 1 . 1 109 109 ARG CB C 13 30.800 0.300 . 1 . . . . . 109 ARG CB . 12036 1 96 . 1 . 1 109 109 ARG N N 15 122.419 0.300 . 1 . . . . . 109 ARG N . 12036 1 97 . 1 . 1 110 110 THR H H 1 8.172 0.030 . 1 . . . . . 110 THR H . 12036 1 98 . 1 . 1 110 110 THR C C 13 174.307 0.300 . 1 . . . . . 110 THR C . 12036 1 99 . 1 . 1 110 110 THR CA C 13 62.040 0.300 . 1 . . . . . 110 THR CA . 12036 1 100 . 1 . 1 110 110 THR CB C 13 69.627 0.300 . 1 . . . . . 110 THR CB . 12036 1 101 . 1 . 1 110 110 THR N N 15 115.510 0.300 . 1 . . . . . 110 THR N . 12036 1 102 . 1 . 1 111 111 LYS H H 1 8.317 0.030 . 1 . . . . . 111 LYS H . 12036 1 103 . 1 . 1 111 111 LYS C C 13 176.179 0.300 . 1 . . . . . 111 LYS C . 12036 1 104 . 1 . 1 111 111 LYS CA C 13 56.150 0.300 . 1 . . . . . 111 LYS CA . 12036 1 105 . 1 . 1 111 111 LYS CB C 13 33.130 0.300 . 1 . . . . . 111 LYS CB . 12036 1 106 . 1 . 1 111 111 LYS N N 15 124.184 0.300 . 1 . . . . . 111 LYS N . 12036 1 107 . 1 . 1 112 112 LYS H H 1 8.413 0.030 . 1 . . . . . 112 LYS H . 12036 1 108 . 1 . 1 112 112 LYS C C 13 174.459 0.300 . 1 . . . . . 112 LYS C . 12036 1 109 . 1 . 1 112 112 LYS CA C 13 54.253 0.300 . 1 . . . . . 112 LYS CA . 12036 1 110 . 1 . 1 112 112 LYS CB C 13 32.785 0.300 . 1 . . . . . 112 LYS CB . 12036 1 111 . 1 . 1 112 112 LYS N N 15 124.468 0.300 . 1 . . . . . 112 LYS N . 12036 1 112 . 1 . 1 113 113 PRO C C 13 176.883 0.300 . 1 . . . . . 113 PRO C . 12036 1 113 . 1 . 1 113 113 PRO CA C 13 63.126 0.300 . 1 . . . . . 113 PRO CA . 12036 1 114 . 1 . 1 113 113 PRO CB C 13 32.008 0.300 . 1 . . . . . 113 PRO CB . 12036 1 115 . 1 . 1 114 114 SER H H 1 8.458 0.030 . 1 . . . . . 114 SER H . 12036 1 116 . 1 . 1 114 114 SER C C 13 174.649 0.300 . 1 . . . . . 114 SER C . 12036 1 117 . 1 . 1 114 114 SER CA C 13 58.340 0.300 . 1 . . . . . 114 SER CA . 12036 1 118 . 1 . 1 114 114 SER CB C 13 63.684 0.300 . 1 . . . . . 114 SER CB . 12036 1 119 . 1 . 1 114 114 SER N N 15 116.698 0.300 . 1 . . . . . 114 SER N . 12036 1 120 . 1 . 1 115 115 LYS H H 1 8.419 0.030 . 1 . . . . . 115 LYS H . 12036 1 121 . 1 . 1 115 115 LYS C C 13 176.523 0.300 . 1 . . . . . 115 LYS C . 12036 1 122 . 1 . 1 115 115 LYS CA C 13 56.536 0.300 . 1 . . . . . 115 LYS CA . 12036 1 123 . 1 . 1 115 115 LYS CB C 13 33.130 0.300 . 1 . . . . . 115 LYS CB . 12036 1 124 . 1 . 1 115 115 LYS N N 15 123.260 0.300 . 1 . . . . . 115 LYS N . 12036 1 125 . 1 . 1 116 116 LYS H H 1 8.543 0.030 . 1 . . . . . 116 LYS H . 12036 1 126 . 1 . 1 116 116 LYS C C 13 176.611 0.300 . 1 . . . . . 116 LYS C . 12036 1 127 . 1 . 1 116 116 LYS CA C 13 56.665 0.300 . 1 . . . . . 116 LYS CA . 12036 1 128 . 1 . 1 116 116 LYS CB C 13 33.046 0.300 . 1 . . . . . 116 LYS CB . 12036 1 129 . 1 . 1 116 116 LYS N N 15 122.436 0.300 . 1 . . . . . 116 LYS N . 12036 1 130 . 1 . 1 117 117 LYS H H 1 8.341 0.030 . 1 . . . . . 117 LYS H . 12036 1 131 . 1 . 1 117 117 LYS C C 13 176.553 0.300 . 1 . . . . . 117 LYS C . 12036 1 132 . 1 . 1 117 117 LYS CA C 13 56.517 0.300 . 1 . . . . . 117 LYS CA . 12036 1 133 . 1 . 1 117 117 LYS CB C 13 33.087 0.300 . 1 . . . . . 117 LYS CB . 12036 1 134 . 1 . 1 117 117 LYS N N 15 122.900 0.300 . 1 . . . . . 117 LYS N . 12036 1 135 . 1 . 1 118 118 LYS H H 1 8.419 0.030 . 1 . . . . . 118 LYS H . 12036 1 136 . 1 . 1 118 118 LYS C C 13 176.461 0.300 . 1 . . . . . 118 LYS C . 12036 1 137 . 1 . 1 118 118 LYS CA C 13 56.536 0.300 . 1 . . . . . 118 LYS CA . 12036 1 138 . 1 . 1 118 118 LYS CB C 13 30.628 0.300 . 1 . . . . . 118 LYS CB . 12036 1 139 . 1 . 1 118 118 LYS N N 15 122.273 0.300 . 1 . . . . . 118 LYS N . 12036 1 140 . 1 . 1 119 119 ASP C C 13 176.482 0.300 . 1 . . . . . 119 ASP C . 12036 1 141 . 1 . 1 119 119 ASP CA C 13 54.253 0.300 . 1 . . . . . 119 ASP CA . 12036 1 142 . 1 . 1 119 119 ASP CB C 13 41.413 0.300 . 1 . . . . . 119 ASP CB . 12036 1 143 . 1 . 1 120 120 SER H H 1 8.387 0.030 . 1 . . . . . 120 SER H . 12036 1 144 . 1 . 1 120 120 SER C C 13 175.300 0.300 . 1 . . . . . 120 SER C . 12036 1 145 . 1 . 1 120 120 SER CA C 13 59.168 0.300 . 1 . . . . . 120 SER CA . 12036 1 146 . 1 . 1 120 120 SER CB C 13 63.716 0.300 . 1 . . . . . 120 SER CB . 12036 1 147 . 1 . 1 120 120 SER N N 15 117.345 0.300 . 1 . . . . . 120 SER N . 12036 1 148 . 1 . 1 121 121 GLY H H 1 8.617 0.030 . 1 . . . . . 121 GLY H . 12036 1 149 . 1 . 1 121 121 GLY C C 13 173.676 0.300 . 1 . . . . . 121 GLY C . 12036 1 150 . 1 . 1 121 121 GLY CA C 13 45.306 0.300 . 1 . . . . . 121 GLY CA . 12036 1 151 . 1 . 1 121 121 GLY N N 15 111.039 0.300 . 1 . . . . . 121 GLY N . 12036 1 152 . 1 . 1 122 122 LYS H H 1 7.768 0.030 . 1 . . . . . 122 LYS H . 12036 1 153 . 1 . 1 122 122 LYS C C 13 174.390 0.300 . 1 . . . . . 122 LYS C . 12036 1 154 . 1 . 1 122 122 LYS CA C 13 54.621 0.300 . 1 . . . . . 122 LYS CA . 12036 1 155 . 1 . 1 122 122 LYS CB C 13 32.699 0.300 . 1 . . . . . 122 LYS CB . 12036 1 156 . 1 . 1 122 122 LYS N N 15 121.947 0.300 . 1 . . . . . 122 LYS N . 12036 1 157 . 1 . 1 123 123 PRO C C 13 176.056 0.300 . 1 . . . . . 123 PRO C . 12036 1 158 . 1 . 1 123 123 PRO CA C 13 63.052 0.300 . 1 . . . . . 123 PRO CA . 12036 1 159 . 1 . 1 123 123 PRO CB C 13 31.836 0.300 . 1 . . . . . 123 PRO CB . 12036 1 160 . 1 . 1 124 124 LYS H H 1 8.798 0.030 . 1 . . . . . 124 LYS H . 12036 1 161 . 1 . 1 124 124 LYS C C 13 177.451 0.300 . 1 . . . . . 124 LYS C . 12036 1 162 . 1 . 1 124 124 LYS CA C 13 56.352 0.300 . 1 . . . . . 124 LYS CA . 12036 1 163 . 1 . 1 124 124 LYS CB C 13 32.699 0.300 . 1 . . . . . 124 LYS CB . 12036 1 164 . 1 . 1 124 124 LYS N N 15 123.793 0.300 . 1 . . . . . 124 LYS N . 12036 1 165 . 1 . 1 125 125 ARG C C 13 175.848 0.300 . 1 . . . . . 125 ARG C . 12036 1 166 . 1 . 1 125 125 ARG CA C 13 56.573 0.300 . 1 . . . . . 125 ARG CA . 12036 1 167 . 1 . 1 125 125 ARG CB C 13 30.541 0.300 . 1 . . . . . 125 ARG CB . 12036 1 168 . 1 . 1 126 126 ALA H H 1 7.704 0.030 . 1 . . . . . 126 ALA H . 12036 1 169 . 1 . 1 126 126 ALA C C 13 177.589 0.300 . 1 . . . . . 126 ALA C . 12036 1 170 . 1 . 1 126 126 ALA CA C 13 51.879 0.300 . 1 . . . . . 126 ALA CA . 12036 1 171 . 1 . 1 126 126 ALA CB C 13 19.023 0.300 . 1 . . . . . 126 ALA CB . 12036 1 172 . 1 . 1 126 126 ALA N N 15 124.339 0.300 . 1 . . . . . 126 ALA N . 12036 1 173 . 1 . 1 127 127 THR H H 1 8.744 0.030 . 1 . . . . . 127 THR H . 12036 1 174 . 1 . 1 127 127 THR C C 13 174.361 0.300 . 1 . . . . . 127 THR C . 12036 1 175 . 1 . 1 127 127 THR CA C 13 61.709 0.300 . 1 . . . . . 127 THR CA . 12036 1 176 . 1 . 1 127 127 THR CB C 13 69.411 0.300 . 1 . . . . . 127 THR CB . 12036 1 177 . 1 . 1 127 127 THR N N 15 118.557 0.300 . 1 . . . . . 127 THR N . 12036 1 178 . 1 . 1 128 128 THR H H 1 8.054 0.030 . 1 . . . . . 128 THR H . 12036 1 179 . 1 . 1 128 128 THR C C 13 174.644 0.300 . 1 . . . . . 128 THR C . 12036 1 180 . 1 . 1 128 128 THR CA C 13 60.752 0.300 . 1 . . . . . 128 THR CA . 12036 1 181 . 1 . 1 128 128 THR CB C 13 70.886 0.300 . 1 . . . . . 128 THR CB . 12036 1 182 . 1 . 1 128 128 THR N N 15 114.500 0.300 . 1 . . . . . 128 THR N . 12036 1 183 . 1 . 1 129 129 ALA H H 1 8.975 0.030 . 1 . . . . . 129 ALA H . 12036 1 184 . 1 . 1 129 129 ALA C C 13 178.014 0.300 . 1 . . . . . 129 ALA C . 12036 1 185 . 1 . 1 129 129 ALA CA C 13 55.928 0.300 . 1 . . . . . 129 ALA CA . 12036 1 186 . 1 . 1 129 129 ALA CB C 13 18.861 0.300 . 1 . . . . . 129 ALA CB . 12036 1 187 . 1 . 1 129 129 ALA N N 15 123.697 0.300 . 1 . . . . . 129 ALA N . 12036 1 188 . 1 . 1 130 130 PHE H H 1 8.305 0.030 . 1 . . . . . 130 PHE H . 12036 1 189 . 1 . 1 130 130 PHE C C 13 175.989 0.300 . 1 . . . . . 130 PHE C . 12036 1 190 . 1 . 1 130 130 PHE CA C 13 59.702 0.300 . 1 . . . . . 130 PHE CA . 12036 1 191 . 1 . 1 130 130 PHE CB C 13 38.720 0.300 . 1 . . . . . 130 PHE CB . 12036 1 192 . 1 . 1 130 130 PHE N N 15 115.610 0.300 . 1 . . . . . 130 PHE N . 12036 1 193 . 1 . 1 131 131 MET H H 1 7.319 0.030 . 1 . . . . . 131 MET H . 12036 1 194 . 1 . 1 131 131 MET C C 13 179.223 0.300 . 1 . . . . . 131 MET C . 12036 1 195 . 1 . 1 131 131 MET CA C 13 57.106 0.300 . 1 . . . . . 131 MET CA . 12036 1 196 . 1 . 1 131 131 MET CB C 13 31.491 0.300 . 1 . . . . . 131 MET CB . 12036 1 197 . 1 . 1 131 131 MET N N 15 116.668 0.300 . 1 . . . . . 131 MET N . 12036 1 198 . 1 . 1 132 132 LEU H H 1 8.061 0.030 . 1 . . . . . 132 LEU H . 12036 1 199 . 1 . 1 132 132 LEU C C 13 179.430 0.300 . 1 . . . . . 132 LEU C . 12036 1 200 . 1 . 1 132 132 LEU CA C 13 58.008 0.300 . 1 . . . . . 132 LEU CA . 12036 1 201 . 1 . 1 132 132 LEU CB C 13 42.017 0.300 . 1 . . . . . 132 LEU CB . 12036 1 202 . 1 . 1 132 132 LEU N N 15 120.806 0.300 . 1 . . . . . 132 LEU N . 12036 1 203 . 1 . 1 133 133 TRP C C 13 179.154 0.300 . 1 . . . . . 133 TRP C . 12036 1 204 . 1 . 1 133 133 TRP CA C 13 61.580 0.300 . 1 . . . . . 133 TRP CA . 12036 1 205 . 1 . 1 134 134 LEU H H 1 8.992 0.030 . 1 . . . . . 134 LEU H . 12036 1 206 . 1 . 1 134 134 LEU C C 13 178.924 0.300 . 1 . . . . . 134 LEU C . 12036 1 207 . 1 . 1 134 134 LEU CA C 13 57.475 0.300 . 1 . . . . . 134 LEU CA . 12036 1 208 . 1 . 1 134 134 LEU N N 15 124.356 0.300 . 1 . . . . . 134 LEU N . 12036 1 209 . 1 . 1 135 135 ASN H H 1 7.868 0.030 . 1 . . . . . 135 ASN H . 12036 1 210 . 1 . 1 135 135 ASN C C 13 177.831 0.300 . 1 . . . . . 135 ASN C . 12036 1 211 . 1 . 1 135 135 ASN CA C 13 55.966 0.300 . 1 . . . . . 135 ASN CA . 12036 1 212 . 1 . 1 135 135 ASN CB C 13 37.789 0.300 . 1 . . . . . 135 ASN CB . 12036 1 213 . 1 . 1 135 135 ASN N N 15 116.706 0.300 . 1 . . . . . 135 ASN N . 12036 1 214 . 1 . 1 136 136 ASP H H 1 7.203 0.030 . 1 . . . . . 136 ASP H . 12036 1 215 . 1 . 1 136 136 ASP C C 13 177.831 0.300 . 1 . . . . . 136 ASP C . 12036 1 216 . 1 . 1 136 136 ASP CA C 13 56.370 0.300 . 1 . . . . . 136 ASP CA . 12036 1 217 . 1 . 1 136 136 ASP CB C 13 41.967 0.300 . 1 . . . . . 136 ASP CB . 12036 1 218 . 1 . 1 136 136 ASP N N 15 118.798 0.300 . 1 . . . . . 136 ASP N . 12036 1 219 . 1 . 1 137 137 THR H H 1 7.431 0.030 . 1 . . . . . 137 THR H . 12036 1 220 . 1 . 1 137 137 THR C C 13 175.104 0.300 . 1 . . . . . 137 THR C . 12036 1 221 . 1 . 1 137 137 THR CA C 13 63.475 0.300 . 1 . . . . . 137 THR CA . 12036 1 222 . 1 . 1 137 137 THR CB C 13 68.832 0.300 . 1 . . . . . 137 THR CB . 12036 1 223 . 1 . 1 137 137 THR N N 15 114.285 0.300 . 1 . . . . . 137 THR N . 12036 1 224 . 1 . 1 138 138 ARG H H 1 8.184 0.030 . 1 . . . . . 138 ARG H . 12036 1 225 . 1 . 1 138 138 ARG C C 13 177.084 0.300 . 1 . . . . . 138 ARG C . 12036 1 226 . 1 . 1 138 138 ARG CA C 13 60.936 0.300 . 1 . . . . . 138 ARG CA . 12036 1 227 . 1 . 1 138 138 ARG CB C 13 30.163 0.300 . 1 . . . . . 138 ARG CB . 12036 1 228 . 1 . 1 138 138 ARG N N 15 124.206 0.300 . 1 . . . . . 138 ARG N . 12036 1 229 . 1 . 1 139 139 GLU H H 1 8.532 0.030 . 1 . . . . . 139 GLU H . 12036 1 230 . 1 . 1 139 139 GLU C C 13 179.125 0.300 . 1 . . . . . 139 GLU C . 12036 1 231 . 1 . 1 139 139 GLU CA C 13 59.537 0.300 . 1 . . . . . 139 GLU CA . 12036 1 232 . 1 . 1 139 139 GLU CB C 13 28.471 0.300 . 1 . . . . . 139 GLU CB . 12036 1 233 . 1 . 1 139 139 GLU N N 15 117.521 0.300 . 1 . . . . . 139 GLU N . 12036 1 234 . 1 . 1 140 140 SER H H 1 7.952 0.030 . 1 . . . . . 140 SER H . 12036 1 235 . 1 . 1 140 140 SER C C 13 176.239 0.300 . 1 . . . . . 140 SER C . 12036 1 236 . 1 . 1 140 140 SER CA C 13 61.709 0.300 . 1 . . . . . 140 SER CA . 12036 1 237 . 1 . 1 140 140 SER CB C 13 62.422 0.300 . 1 . . . . . 140 SER CB . 12036 1 238 . 1 . 1 140 140 SER N N 15 117.234 0.300 . 1 . . . . . 140 SER N . 12036 1 239 . 1 . 1 141 141 ILE H H 1 7.872 0.030 . 1 . . . . . 141 ILE H . 12036 1 240 . 1 . 1 141 141 ILE C C 13 179.108 0.300 . 1 . . . . . 141 ILE C . 12036 1 241 . 1 . 1 141 141 ILE CA C 13 65.869 0.300 . 1 . . . . . 141 ILE CA . 12036 1 242 . 1 . 1 141 141 ILE CB C 13 37.617 0.300 . 1 . . . . . 141 ILE CB . 12036 1 243 . 1 . 1 141 141 ILE N N 15 122.464 0.300 . 1 . . . . . 141 ILE N . 12036 1 244 . 1 . 1 142 142 LYS H H 1 8.000 0.030 . 1 . . . . . 142 LYS H . 12036 1 245 . 1 . 1 142 142 LYS C C 13 178.735 0.300 . 1 . . . . . 142 LYS C . 12036 1 246 . 1 . 1 142 142 LYS CA C 13 59.831 0.300 . 1 . . . . . 142 LYS CA . 12036 1 247 . 1 . 1 142 142 LYS CB C 13 32.435 0.300 . 1 . . . . . 142 LYS CB . 12036 1 248 . 1 . 1 142 142 LYS N N 15 119.036 0.300 . 1 . . . . . 142 LYS N . 12036 1 249 . 1 . 1 143 143 ARG H H 1 7.934 0.030 . 1 . . . . . 143 ARG H . 12036 1 250 . 1 . 1 143 143 ARG C C 13 178.498 0.300 . 1 . . . . . 143 ARG C . 12036 1 251 . 1 . 1 143 143 ARG CA C 13 59.132 0.300 . 1 . . . . . 143 ARG CA . 12036 1 252 . 1 . 1 143 143 ARG CB C 13 30.514 0.300 . 1 . . . . . 143 ARG CB . 12036 1 253 . 1 . 1 143 143 ARG N N 15 118.620 0.300 . 1 . . . . . 143 ARG N . 12036 1 254 . 1 . 1 144 144 GLU H H 1 7.831 0.030 . 1 . . . . . 144 GLU H . 12036 1 255 . 1 . 1 144 144 GLU C C 13 175.712 0.300 . 1 . . . . . 144 GLU C . 12036 1 256 . 1 . 1 144 144 GLU CA C 13 56.960 0.300 . 1 . . . . . 144 GLU CA . 12036 1 257 . 1 . 1 144 144 GLU CB C 13 30.385 0.300 . 1 . . . . . 144 GLU CB . 12036 1 258 . 1 . 1 144 144 GLU N N 15 114.858 0.300 . 1 . . . . . 144 GLU N . 12036 1 259 . 1 . 1 145 145 ASN H H 1 7.282 0.030 . 1 . . . . . 145 ASN H . 12036 1 260 . 1 . 1 145 145 ASN C C 13 170.179 0.300 . 1 . . . . . 145 ASN C . 12036 1 261 . 1 . 1 145 145 ASN CA C 13 50.866 0.300 . 1 . . . . . 145 ASN CA . 12036 1 262 . 1 . 1 145 145 ASN CB C 13 40.723 0.300 . 1 . . . . . 145 ASN CB . 12036 1 263 . 1 . 1 145 145 ASN N N 15 116.747 0.300 . 1 . . . . . 145 ASN N . 12036 1 264 . 1 . 1 146 146 PRO C C 13 178.740 0.300 . 1 . . . . . 146 PRO C . 12036 1 265 . 1 . 1 146 146 PRO CA C 13 64.304 0.300 . 1 . . . . . 146 PRO CA . 12036 1 266 . 1 . 1 146 146 PRO CB C 13 31.404 0.300 . 1 . . . . . 146 PRO CB . 12036 1 267 . 1 . 1 147 147 GLY H H 1 8.768 0.030 . 1 . . . . . 147 GLY H . 12036 1 268 . 1 . 1 147 147 GLY C C 13 174.972 0.300 . 1 . . . . . 147 GLY C . 12036 1 269 . 1 . 1 147 147 GLY CA C 13 45.252 0.300 . 1 . . . . . 147 GLY CA . 12036 1 270 . 1 . 1 147 147 GLY N N 15 111.951 0.300 . 1 . . . . . 147 GLY N . 12036 1 271 . 1 . 1 148 148 ILE H H 1 7.858 0.030 . 1 . . . . . 148 ILE H . 12036 1 272 . 1 . 1 148 148 ILE C C 13 174.803 0.300 . 1 . . . . . 148 ILE C . 12036 1 273 . 1 . 1 148 148 ILE CA C 13 62.335 0.300 . 1 . . . . . 148 ILE CA . 12036 1 274 . 1 . 1 148 148 ILE CB C 13 38.221 0.300 . 1 . . . . . 148 ILE CB . 12036 1 275 . 1 . 1 148 148 ILE N N 15 121.990 0.300 . 1 . . . . . 148 ILE N . 12036 1 276 . 1 . 1 149 149 LYS H H 1 8.518 0.030 . 1 . . . . . 149 LYS H . 12036 1 277 . 1 . 1 149 149 LYS C C 13 179.367 0.300 . 1 . . . . . 149 LYS C . 12036 1 278 . 1 . 1 149 149 LYS CA C 13 55.928 0.300 . 1 . . . . . 149 LYS CA . 12036 1 279 . 1 . 1 149 149 LYS CB C 13 33.992 0.300 . 1 . . . . . 149 LYS CB . 12036 1 280 . 1 . 1 149 149 LYS N N 15 126.161 0.300 . 1 . . . . . 149 LYS N . 12036 1 281 . 1 . 1 150 150 VAL H H 1 8.808 0.030 . 1 . . . . . 150 VAL H . 12036 1 282 . 1 . 1 150 150 VAL C C 13 178.325 0.300 . 1 . . . . . 150 VAL C . 12036 1 283 . 1 . 1 150 150 VAL CA C 13 66.569 0.300 . 1 . . . . . 150 VAL CA . 12036 1 284 . 1 . 1 150 150 VAL CB C 13 31.634 0.300 . 1 . . . . . 150 VAL CB . 12036 1 285 . 1 . 1 150 150 VAL N N 15 121.373 0.300 . 1 . . . . . 150 VAL N . 12036 1 286 . 1 . 1 151 151 THR H H 1 7.616 0.030 . 1 . . . . . 151 THR H . 12036 1 287 . 1 . 1 151 151 THR C C 13 176.103 0.300 . 1 . . . . . 151 THR C . 12036 1 288 . 1 . 1 151 151 THR CA C 13 63.862 0.300 . 1 . . . . . 151 THR CA . 12036 1 289 . 1 . 1 151 151 THR CB C 13 68.005 0.300 . 1 . . . . . 151 THR CB . 12036 1 290 . 1 . 1 151 151 THR N N 15 109.328 0.300 . 1 . . . . . 151 THR N . 12036 1 291 . 1 . 1 152 152 GLU H H 1 7.555 0.030 . 1 . . . . . 152 GLU H . 12036 1 292 . 1 . 1 152 152 GLU C C 13 178.036 0.300 . 1 . . . . . 152 GLU C . 12036 1 293 . 1 . 1 152 152 GLU CA C 13 56.978 0.300 . 1 . . . . . 152 GLU CA . 12036 1 294 . 1 . 1 152 152 GLU CB C 13 30.369 0.300 . 1 . . . . . 152 GLU CB . 12036 1 295 . 1 . 1 152 152 GLU N N 15 120.432 0.300 . 1 . . . . . 152 GLU N . 12036 1 296 . 1 . 1 153 153 ILE H H 1 7.650 0.030 . 1 . . . . . 153 ILE H . 12036 1 297 . 1 . 1 153 153 ILE C C 13 177.377 0.300 . 1 . . . . . 153 ILE C . 12036 1 298 . 1 . 1 153 153 ILE CA C 13 56.973 0.300 . 1 . . . . . 153 ILE CA . 12036 1 299 . 1 . 1 153 153 ILE CB C 13 37.444 0.300 . 1 . . . . . 153 ILE CB . 12036 1 300 . 1 . 1 153 153 ILE N N 15 122.290 0.300 . 1 . . . . . 153 ILE N . 12036 1 301 . 1 . 1 154 154 ALA H H 1 8.332 0.030 . 1 . . . . . 154 ALA H . 12036 1 302 . 1 . 1 154 154 ALA C C 13 180.392 0.300 . 1 . . . . . 154 ALA C . 12036 1 303 . 1 . 1 154 154 ALA CA C 13 55.652 0.300 . 1 . . . . . 154 ALA CA . 12036 1 304 . 1 . 1 154 154 ALA CB C 13 17.901 0.300 . 1 . . . . . 154 ALA CB . 12036 1 305 . 1 . 1 154 154 ALA N N 15 120.678 0.300 . 1 . . . . . 154 ALA N . 12036 1 306 . 1 . 1 155 155 LYS H H 1 7.658 0.030 . 1 . . . . . 155 LYS H . 12036 1 307 . 1 . 1 155 155 LYS C C 13 179.267 0.300 . 1 . . . . . 155 LYS C . 12036 1 308 . 1 . 1 155 155 LYS CA C 13 59.481 0.300 . 1 . . . . . 155 LYS CA . 12036 1 309 . 1 . 1 155 155 LYS CB C 13 32.569 0.300 . 1 . . . . . 155 LYS CB . 12036 1 310 . 1 . 1 155 155 LYS N N 15 120.100 0.300 . 1 . . . . . 155 LYS N . 12036 1 311 . 1 . 1 156 156 LYS H H 1 8.247 0.030 . 1 . . . . . 156 LYS H . 12036 1 312 . 1 . 1 156 156 LYS C C 13 179.602 0.300 . 1 . . . . . 156 LYS C . 12036 1 313 . 1 . 1 156 156 LYS CA C 13 58.303 0.300 . 1 . . . . . 156 LYS CA . 12036 1 314 . 1 . 1 156 156 LYS CB C 13 31.517 0.300 . 1 . . . . . 156 LYS CB . 12036 1 315 . 1 . 1 156 156 LYS N N 15 121.418 0.300 . 1 . . . . . 156 LYS N . 12036 1 316 . 1 . 1 157 157 GLY H H 1 9.287 0.030 . 1 . . . . . 157 GLY H . 12036 1 317 . 1 . 1 157 157 GLY C C 13 175.410 0.300 . 1 . . . . . 157 GLY C . 12036 1 318 . 1 . 1 157 157 GLY CA C 13 47.368 0.300 . 1 . . . . . 157 GLY CA . 12036 1 319 . 1 . 1 157 157 GLY N N 15 106.608 0.300 . 1 . . . . . 157 GLY N . 12036 1 320 . 1 . 1 158 158 GLY H H 1 8.669 0.030 . 1 . . . . . 158 GLY H . 12036 1 321 . 1 . 1 158 158 GLY C C 13 176.116 0.300 . 1 . . . . . 158 GLY C . 12036 1 322 . 1 . 1 158 158 GLY CA C 13 47.829 0.300 . 1 . . . . . 158 GLY CA . 12036 1 323 . 1 . 1 158 158 GLY N N 15 109.938 0.300 . 1 . . . . . 158 GLY N . 12036 1 324 . 1 . 1 159 159 GLU H H 1 7.583 0.030 . 1 . . . . . 159 GLU H . 12036 1 325 . 1 . 1 159 159 GLU C C 13 179.303 0.300 . 1 . . . . . 159 GLU C . 12036 1 326 . 1 . 1 159 159 GLU CA C 13 59.168 0.300 . 1 . . . . . 159 GLU CA . 12036 1 327 . 1 . 1 159 159 GLU CB C 13 29.558 0.300 . 1 . . . . . 159 GLU CB . 12036 1 328 . 1 . 1 159 159 GLU N N 15 121.576 0.300 . 1 . . . . . 159 GLU N . 12036 1 329 . 1 . 1 160 160 MET H H 1 8.048 0.030 . 1 . . . . . 160 MET H . 12036 1 330 . 1 . 1 160 160 MET C C 13 179.246 0.300 . 1 . . . . . 160 MET C . 12036 1 331 . 1 . 1 160 160 MET CA C 13 58.947 0.300 . 1 . . . . . 160 MET CA . 12036 1 332 . 1 . 1 160 160 MET CB C 13 34.856 0.300 . 1 . . . . . 160 MET CB . 12036 1 333 . 1 . 1 160 160 MET N N 15 119.498 0.300 . 1 . . . . . 160 MET N . 12036 1 334 . 1 . 1 161 161 TRP H H 1 8.949 0.030 . 1 . . . . . 161 TRP H . 12036 1 335 . 1 . 1 161 161 TRP C C 13 177.692 0.300 . 1 . . . . . 161 TRP C . 12036 1 336 . 1 . 1 161 161 TRP CA C 13 59.113 0.300 . 1 . . . . . 161 TRP CA . 12036 1 337 . 1 . 1 161 161 TRP CB C 13 30.469 0.300 . 1 . . . . . 161 TRP CB . 12036 1 338 . 1 . 1 161 161 TRP N N 15 121.973 0.300 . 1 . . . . . 161 TRP N . 12036 1 339 . 1 . 1 162 162 LYS H H 1 7.399 0.030 . 1 . . . . . 162 LYS H . 12036 1 340 . 1 . 1 162 162 LYS C C 13 178.049 0.300 . 1 . . . . . 162 LYS C . 12036 1 341 . 1 . 1 162 162 LYS CA C 13 59.260 0.300 . 1 . . . . . 162 LYS CA . 12036 1 342 . 1 . 1 162 162 LYS CB C 13 32.428 0.300 . 1 . . . . . 162 LYS CB . 12036 1 343 . 1 . 1 162 162 LYS N N 15 115.982 0.300 . 1 . . . . . 162 LYS N . 12036 1 344 . 1 . 1 163 163 GLU H H 1 6.909 0.030 . 1 . . . . . 163 GLU H . 12036 1 345 . 1 . 1 163 163 GLU C C 13 175.959 0.300 . 1 . . . . . 163 GLU C . 12036 1 346 . 1 . 1 163 163 GLU CA C 13 55.745 0.300 . 1 . . . . . 163 GLU CA . 12036 1 347 . 1 . 1 163 163 GLU CB C 13 30.498 0.300 . 1 . . . . . 163 GLU CB . 12036 1 348 . 1 . 1 163 163 GLU N N 15 114.308 0.300 . 1 . . . . . 163 GLU N . 12036 1 349 . 1 . 1 164 164 LEU H H 1 6.954 0.030 . 1 . . . . . 164 LEU H . 12036 1 350 . 1 . 1 164 164 LEU C C 13 177.382 0.300 . 1 . . . . . 164 LEU C . 12036 1 351 . 1 . 1 164 164 LEU CA C 13 55.561 0.300 . 1 . . . . . 164 LEU CA . 12036 1 352 . 1 . 1 164 164 LEU CB C 13 42.516 0.300 . 1 . . . . . 164 LEU CB . 12036 1 353 . 1 . 1 164 164 LEU N N 15 122.865 0.300 . 1 . . . . . 164 LEU N . 12036 1 354 . 1 . 1 165 165 LYS H H 1 8.509 0.030 . 1 . . . . . 165 LYS H . 12036 1 355 . 1 . 1 165 165 LYS C C 13 176.912 0.300 . 1 . . . . . 165 LYS C . 12036 1 356 . 1 . 1 165 165 LYS CA C 13 58.395 0.300 . 1 . . . . . 165 LYS CA . 12036 1 357 . 1 . 1 165 165 LYS CB C 13 34.165 0.300 . 1 . . . . . 165 LYS CB . 12036 1 358 . 1 . 1 165 165 LYS N N 15 126.326 0.300 . 1 . . . . . 165 LYS N . 12036 1 359 . 1 . 1 166 166 ASP H H 1 7.844 0.030 . 1 . . . . . 166 ASP H . 12036 1 360 . 1 . 1 166 166 ASP C C 13 175.897 0.300 . 1 . . . . . 166 ASP C . 12036 1 361 . 1 . 1 166 166 ASP CA C 13 52.983 0.300 . 1 . . . . . 166 ASP CA . 12036 1 362 . 1 . 1 166 166 ASP CB C 13 40.680 0.300 . 1 . . . . . 166 ASP CB . 12036 1 363 . 1 . 1 166 166 ASP N N 15 116.860 0.300 . 1 . . . . . 166 ASP N . 12036 1 364 . 1 . 1 167 167 LYS H H 1 8.675 0.030 . 1 . . . . . 167 LYS H . 12036 1 365 . 1 . 1 167 167 LYS C C 13 178.177 0.300 . 1 . . . . . 167 LYS C . 12036 1 366 . 1 . 1 167 167 LYS CA C 13 56.278 0.300 . 1 . . . . . 167 LYS CA . 12036 1 367 . 1 . 1 167 167 LYS CB C 13 33.873 0.300 . 1 . . . . . 167 LYS CB . 12036 1 368 . 1 . 1 167 167 LYS N N 15 124.941 0.300 . 1 . . . . . 167 LYS N . 12036 1 369 . 1 . 1 168 168 SER H H 1 8.366 0.030 . 1 . . . . . 168 SER H . 12036 1 370 . 1 . 1 168 168 SER C C 13 175.963 0.300 . 1 . . . . . 168 SER C . 12036 1 371 . 1 . 1 168 168 SER CA C 13 62.960 0.300 . 1 . . . . . 168 SER CA . 12036 1 372 . 1 . 1 168 168 SER N N 15 117.815 0.300 . 1 . . . . . 168 SER N . 12036 1 373 . 1 . 1 169 169 LYS H H 1 8.631 0.030 . 1 . . . . . 169 LYS H . 12036 1 374 . 1 . 1 169 169 LYS C C 13 178.901 0.300 . 1 . . . . . 169 LYS C . 12036 1 375 . 1 . 1 169 169 LYS CA C 13 59.702 0.300 . 1 . . . . . 169 LYS CA . 12036 1 376 . 1 . 1 169 169 LYS CB C 13 31.749 0.300 . 1 . . . . . 169 LYS CB . 12036 1 377 . 1 . 1 169 169 LYS N N 15 122.543 0.300 . 1 . . . . . 169 LYS N . 12036 1 378 . 1 . 1 170 170 TRP H H 1 7.123 0.030 . 1 . . . . . 170 TRP H . 12036 1 379 . 1 . 1 170 170 TRP C C 13 178.141 0.300 . 1 . . . . . 170 TRP C . 12036 1 380 . 1 . 1 170 170 TRP CA C 13 56.499 0.300 . 1 . . . . . 170 TRP CA . 12036 1 381 . 1 . 1 170 170 TRP CB C 13 30.541 0.300 . 1 . . . . . 170 TRP CB . 12036 1 382 . 1 . 1 170 170 TRP N N 15 119.297 0.300 . 1 . . . . . 170 TRP N . 12036 1 383 . 1 . 1 171 171 GLU H H 1 8.540 0.030 . 1 . . . . . 171 GLU H . 12036 1 384 . 1 . 1 171 171 GLU C C 13 180.212 0.300 . 1 . . . . . 171 GLU C . 12036 1 385 . 1 . 1 171 171 GLU CA C 13 60.015 0.300 . 1 . . . . . 171 GLU CA . 12036 1 386 . 1 . 1 171 171 GLU CB C 13 29.938 0.300 . 1 . . . . . 171 GLU CB . 12036 1 387 . 1 . 1 171 171 GLU N N 15 120.712 0.300 . 1 . . . . . 171 GLU N . 12036 1 388 . 1 . 1 172 172 ASP H H 1 8.918 0.030 . 1 . . . . . 172 ASP H . 12036 1 389 . 1 . 1 172 172 ASP C C 13 178.716 0.300 . 1 . . . . . 172 ASP C . 12036 1 390 . 1 . 1 172 172 ASP CA C 13 57.511 0.300 . 1 . . . . . 172 ASP CA . 12036 1 391 . 1 . 1 172 172 ASP CB C 13 40.378 0.300 . 1 . . . . . 172 ASP CB . 12036 1 392 . 1 . 1 172 172 ASP N N 15 121.488 0.300 . 1 . . . . . 172 ASP N . 12036 1 393 . 1 . 1 173 173 ALA H H 1 7.455 0.030 . 1 . . . . . 173 ALA H . 12036 1 394 . 1 . 1 173 173 ALA C C 13 180.787 0.300 . 1 . . . . . 173 ALA C . 12036 1 395 . 1 . 1 173 173 ALA CA C 13 55.247 0.300 . 1 . . . . . 173 ALA CA . 12036 1 396 . 1 . 1 173 173 ALA CB C 13 18.598 0.300 . 1 . . . . . 173 ALA CB . 12036 1 397 . 1 . 1 173 173 ALA N N 15 121.947 0.300 . 1 . . . . . 173 ALA N . 12036 1 398 . 1 . 1 174 174 ALA H H 1 8.570 0.030 . 1 . . . . . 174 ALA H . 12036 1 399 . 1 . 1 174 174 ALA C C 13 180.118 0.300 . 1 . . . . . 174 ALA C . 12036 1 400 . 1 . 1 174 174 ALA CA C 13 55.156 0.300 . 1 . . . . . 174 ALA CA . 12036 1 401 . 1 . 1 174 174 ALA CB C 13 18.120 0.300 . 1 . . . . . 174 ALA CB . 12036 1 402 . 1 . 1 174 174 ALA N N 15 122.783 0.300 . 1 . . . . . 174 ALA N . 12036 1 403 . 1 . 1 175 175 ALA H H 1 8.189 0.030 . 1 . . . . . 175 ALA H . 12036 1 404 . 1 . 1 175 175 ALA C C 13 181.206 0.300 . 1 . . . . . 175 ALA C . 12036 1 405 . 1 . 1 175 175 ALA CA C 13 55.339 0.300 . 1 . . . . . 175 ALA CA . 12036 1 406 . 1 . 1 175 175 ALA CB C 13 17.901 0.300 . 1 . . . . . 175 ALA CB . 12036 1 407 . 1 . 1 175 175 ALA N N 15 123.240 0.300 . 1 . . . . . 175 ALA N . 12036 1 408 . 1 . 1 176 176 LYS H H 1 7.962 0.030 . 1 . . . . . 176 LYS H . 12036 1 409 . 1 . 1 176 176 LYS C C 13 179.216 0.300 . 1 . . . . . 176 LYS C . 12036 1 410 . 1 . 1 176 176 LYS CA C 13 59.132 0.300 . 1 . . . . . 176 LYS CA . 12036 1 411 . 1 . 1 176 176 LYS CB C 13 32.353 0.300 . 1 . . . . . 176 LYS CB . 12036 1 412 . 1 . 1 176 176 LYS N N 15 119.560 0.300 . 1 . . . . . 176 LYS N . 12036 1 413 . 1 . 1 177 177 ASP H H 1 8.098 0.030 . 1 . . . . . 177 ASP H . 12036 1 414 . 1 . 1 177 177 ASP C C 13 177.769 0.300 . 1 . . . . . 177 ASP C . 12036 1 415 . 1 . 1 177 177 ASP CA C 13 57.125 0.300 . 1 . . . . . 177 ASP CA . 12036 1 416 . 1 . 1 177 177 ASP CB C 13 41.888 0.300 . 1 . . . . . 177 ASP CB . 12036 1 417 . 1 . 1 177 177 ASP N N 15 121.330 0.300 . 1 . . . . . 177 ASP N . 12036 1 418 . 1 . 1 178 178 LYS H H 1 8.202 0.030 . 1 . . . . . 178 LYS H . 12036 1 419 . 1 . 1 178 178 LYS C C 13 178.452 0.300 . 1 . . . . . 178 LYS C . 12036 1 420 . 1 . 1 178 178 LYS CA C 13 59.463 0.300 . 1 . . . . . 178 LYS CA . 12036 1 421 . 1 . 1 178 178 LYS CB C 13 32.130 0.300 . 1 . . . . . 178 LYS CB . 12036 1 422 . 1 . 1 178 178 LYS N N 15 120.091 0.300 . 1 . . . . . 178 LYS N . 12036 1 423 . 1 . 1 179 179 GLN H H 1 7.714 0.030 . 1 . . . . . 179 GLN H . 12036 1 424 . 1 . 1 179 179 GLN C C 13 177.208 0.300 . 1 . . . . . 179 GLN C . 12036 1 425 . 1 . 1 179 179 GLN CA C 13 58.450 0.300 . 1 . . . . . 179 GLN CA . 12036 1 426 . 1 . 1 179 179 GLN CB C 13 28.341 0.300 . 1 . . . . . 179 GLN CB . 12036 1 427 . 1 . 1 179 179 GLN N N 15 119.378 0.300 . 1 . . . . . 179 GLN N . 12036 1 428 . 1 . 1 180 180 ARG H H 1 7.995 0.030 . 1 . . . . . 180 ARG H . 12036 1 429 . 1 . 1 180 180 ARG C C 13 178.501 0.300 . 1 . . . . . 180 ARG C . 12036 1 430 . 1 . 1 180 180 ARG CA C 13 59.076 0.300 . 1 . . . . . 180 ARG CA . 12036 1 431 . 1 . 1 180 180 ARG CB C 13 28.039 0.300 . 1 . . . . . 180 ARG CB . 12036 1 432 . 1 . 1 180 180 ARG N N 15 121.055 0.300 . 1 . . . . . 180 ARG N . 12036 1 433 . 1 . 1 181 181 TYR H H 1 8.272 0.030 . 1 . . . . . 181 TYR H . 12036 1 434 . 1 . 1 181 181 TYR C C 13 176.423 0.300 . 1 . . . . . 181 TYR C . 12036 1 435 . 1 . 1 181 181 TYR CA C 13 61.671 0.300 . 1 . . . . . 181 TYR CA . 12036 1 436 . 1 . 1 181 181 TYR CB C 13 38.674 0.300 . 1 . . . . . 181 TYR CB . 12036 1 437 . 1 . 1 181 181 TYR N N 15 120.539 0.300 . 1 . . . . . 181 TYR N . 12036 1 438 . 1 . 1 182 182 HIS H H 1 8.251 0.030 . 1 . . . . . 182 HIS H . 12036 1 439 . 1 . 1 182 182 HIS C C 13 177.739 0.300 . 1 . . . . . 182 HIS C . 12036 1 440 . 1 . 1 182 182 HIS CA C 13 59.224 0.300 . 1 . . . . . 182 HIS CA . 12036 1 441 . 1 . 1 182 182 HIS CB C 13 29.380 0.300 . 1 . . . . . 182 HIS CB . 12036 1 442 . 1 . 1 182 182 HIS N N 15 118.053 0.300 . 1 . . . . . 182 HIS N . 12036 1 443 . 1 . 1 183 183 ASP H H 1 8.662 0.030 . 1 . . . . . 183 ASP H . 12036 1 444 . 1 . 1 183 183 ASP C C 13 178.749 0.300 . 1 . . . . . 183 ASP C . 12036 1 445 . 1 . 1 183 183 ASP CA C 13 57.217 0.300 . 1 . . . . . 183 ASP CA . 12036 1 446 . 1 . 1 183 183 ASP CB C 13 40.291 0.300 . 1 . . . . . 183 ASP CB . 12036 1 447 . 1 . 1 183 183 ASP N N 15 121.066 0.300 . 1 . . . . . 183 ASP N . 12036 1 448 . 1 . 1 184 184 GLU H H 1 8.620 0.030 . 1 . . . . . 184 GLU H . 12036 1 449 . 1 . 1 184 184 GLU C C 13 180.013 0.300 . 1 . . . . . 184 GLU C . 12036 1 450 . 1 . 1 184 184 GLU CA C 13 59.334 0.300 . 1 . . . . . 184 GLU CA . 12036 1 451 . 1 . 1 184 184 GLU CB C 13 29.815 0.300 . 1 . . . . . 184 GLU CB . 12036 1 452 . 1 . 1 184 184 GLU N N 15 120.371 0.300 . 1 . . . . . 184 GLU N . 12036 1 453 . 1 . 1 185 185 MET H H 1 8.366 0.030 . 1 . . . . . 185 MET H . 12036 1 454 . 1 . 1 185 185 MET C C 13 178.589 0.300 . 1 . . . . . 185 MET C . 12036 1 455 . 1 . 1 185 185 MET CA C 13 56.315 0.300 . 1 . . . . . 185 MET CA . 12036 1 456 . 1 . 1 185 185 MET CB C 13 31.145 0.300 . 1 . . . . . 185 MET CB . 12036 1 457 . 1 . 1 185 185 MET N N 15 118.854 0.300 . 1 . . . . . 185 MET N . 12036 1 458 . 1 . 1 186 186 ARG H H 1 7.698 0.030 . 1 . . . . . 186 ARG H . 12036 1 459 . 1 . 1 186 186 ARG C C 13 176.993 0.300 . 1 . . . . . 186 ARG C . 12036 1 460 . 1 . 1 186 186 ARG CA C 13 58.340 0.300 . 1 . . . . . 186 ARG CA . 12036 1 461 . 1 . 1 186 186 ARG CB C 13 30.252 0.300 . 1 . . . . . 186 ARG CB . 12036 1 462 . 1 . 1 186 186 ARG N N 15 119.632 0.300 . 1 . . . . . 186 ARG N . 12036 1 463 . 1 . 1 187 187 ASN H H 1 7.537 0.030 . 1 . . . . . 187 ASN H . 12036 1 464 . 1 . 1 187 187 ASN C C 13 174.459 0.300 . 1 . . . . . 187 ASN C . 12036 1 465 . 1 . 1 187 187 ASN CA C 13 53.167 0.300 . 1 . . . . . 187 ASN CA . 12036 1 466 . 1 . 1 187 187 ASN CB C 13 39.557 0.300 . 1 . . . . . 187 ASN CB . 12036 1 467 . 1 . 1 187 187 ASN N N 15 115.278 0.300 . 1 . . . . . 187 ASN N . 12036 1 468 . 1 . 1 188 188 TYR H H 1 7.623 0.030 . 1 . . . . . 188 TYR H . 12036 1 469 . 1 . 1 188 188 TYR C C 13 174.632 0.300 . 1 . . . . . 188 TYR C . 12036 1 470 . 1 . 1 188 188 TYR CA C 13 58.395 0.300 . 1 . . . . . 188 TYR CA . 12036 1 471 . 1 . 1 188 188 TYR CB C 13 39.041 0.300 . 1 . . . . . 188 TYR CB . 12036 1 472 . 1 . 1 188 188 TYR N N 15 121.715 0.300 . 1 . . . . . 188 TYR N . 12036 1 473 . 1 . 1 189 189 LYS H H 1 8.020 0.030 . 1 . . . . . 189 LYS H . 12036 1 474 . 1 . 1 189 189 LYS C C 13 173.010 0.300 . 1 . . . . . 189 LYS C . 12036 1 475 . 1 . 1 189 189 LYS CA C 13 53.185 0.300 . 1 . . . . . 189 LYS CA . 12036 1 476 . 1 . 1 189 189 LYS CB C 13 33.302 0.300 . 1 . . . . . 189 LYS CB . 12036 1 477 . 1 . 1 189 189 LYS N N 15 127.225 0.300 . 1 . . . . . 189 LYS N . 12036 1 478 . 1 . 1 190 190 PRO C C 13 176.905 0.300 . 1 . . . . . 190 PRO C . 12036 1 479 . 1 . 1 190 190 PRO CA C 13 62.979 0.300 . 1 . . . . . 190 PRO CA . 12036 1 480 . 1 . 1 190 190 PRO CB C 13 32.008 0.300 . 1 . . . . . 190 PRO CB . 12036 1 481 . 1 . 1 191 191 GLU H H 1 8.442 0.030 . 1 . . . . . 191 GLU H . 12036 1 482 . 1 . 1 191 191 GLU C C 13 175.268 0.300 . 1 . . . . . 191 GLU C . 12036 1 483 . 1 . 1 191 191 GLU CA C 13 56.573 0.300 . 1 . . . . . 191 GLU CA . 12036 1 484 . 1 . 1 191 191 GLU CB C 13 30.412 0.300 . 1 . . . . . 191 GLU CB . 12036 1 485 . 1 . 1 191 191 GLU N N 15 121.184 0.300 . 1 . . . . . 191 GLU N . 12036 1 486 . 1 . 1 192 192 ALA H H 1 7.899 0.030 . 1 . . . . . 192 ALA H . 12036 1 487 . 1 . 1 192 192 ALA C C 13 182.444 0.300 . 1 . . . . . 192 ALA C . 12036 1 488 . 1 . 1 192 192 ALA CA C 13 53.885 0.300 . 1 . . . . . 192 ALA CA . 12036 1 489 . 1 . 1 192 192 ALA CB C 13 20.447 0.300 . 1 . . . . . 192 ALA CB . 12036 1 490 . 1 . 1 192 192 ALA N N 15 130.423 0.300 . 1 . . . . . 192 ALA N . 12036 1 stop_ save_