################################### # 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 19680 _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 . _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' . . . 19680 1 2 '3D HNCACB' . . . 19680 1 3 '3D HNCO' . . . 19680 1 4 '3D HN(CA)CO' . . . 19680 1 5 '3D HNHA' . . . 19680 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 2 2 ALA CA C 13 52.87 0.2 . 1 . . . . 80 ALA CA . 19680 1 2 . 1 1 2 2 ALA CB C 13 19.6 0.2 . 1 . . . . 80 ALA CB . 19680 1 3 . 1 1 3 3 MET H H 1 8.53 0.02 . 1 . . . . 81 MET HN . 19680 1 4 . 1 1 3 3 MET HA H 1 4.56 0.02 . 1 . . . . 81 MET HA . 19680 1 5 . 1 1 3 3 MET C C 13 176.32 0.2 . 1 . . . . 81 MET C . 19680 1 6 . 1 1 3 3 MET CA C 13 55.55 0.2 . 1 . . . . 81 MET CA . 19680 1 7 . 1 1 3 3 MET CB C 13 33.21 0.2 . 1 . . . . 81 MET CB . 19680 1 8 . 1 1 3 3 MET N N 15 119.53 0.2 . 1 . . . . 81 MET N . 19680 1 9 . 1 1 4 4 GLY H H 1 8.17 0.02 . 1 . . . . 82 GLY HN . 19680 1 10 . 1 1 4 4 GLY HA2 H 1 3.74 0.02 . 1 . . . . 82 GLY HA . 19680 1 11 . 1 1 4 4 GLY HA3 H 1 3.74 0.02 . 1 . . . . 82 GLY HA . 19680 1 12 . 1 1 4 4 GLY C C 13 171.74 0.2 . 1 . . . . 82 GLY C . 19680 1 13 . 1 1 4 4 GLY CA C 13 44.43 0.2 . 1 . . . . 82 GLY CA . 19680 1 14 . 1 1 4 4 GLY N N 15 109.8 0.2 . 1 . . . . 82 GLY N . 19680 1 15 . 1 1 5 5 PRO C C 13 177.01 0.2 . 1 . . . . 83 PRO C . 19680 1 16 . 1 1 5 5 PRO CA C 13 63.15 0.2 . 1 . . . . 83 PRO CA . 19680 1 17 . 1 1 5 5 PRO CB C 13 32.54 0.2 . 1 . . . . 83 PRO CB . 19680 1 18 . 1 1 6 6 VAL H H 1 8.24 0.02 . 1 . . . . 84 VAL HN . 19680 1 19 . 1 1 6 6 VAL HA H 1 4.6 0.02 . 1 . . . . 84 VAL HA . 19680 1 20 . 1 1 6 6 VAL C C 13 175.65 0.2 . 1 . . . . 84 VAL C . 19680 1 21 . 1 1 6 6 VAL CA C 13 62.11 0.2 . 1 . . . . 84 VAL CA . 19680 1 22 . 1 1 6 6 VAL CB C 13 33.23 0.2 . 1 . . . . 84 VAL CB . 19680 1 23 . 1 1 6 6 VAL N N 15 120.5 0.2 . 1 . . . . 84 VAL N . 19680 1 24 . 1 1 7 7 ALA H H 1 8.48 0.02 . 1 . . . . 85 ALA HN . 19680 1 25 . 1 1 7 7 ALA HA H 1 4.63 0.02 . 1 . . . . 85 ALA HA . 19680 1 26 . 1 1 7 7 ALA C C 13 175.64 0.2 . 1 . . . . 85 ALA C . 19680 1 27 . 1 1 7 7 ALA CA C 13 50.46 0.2 . 1 . . . . 85 ALA CA . 19680 1 28 . 1 1 7 7 ALA CB C 13 18.53 0.2 . 1 . . . . 85 ALA CB . 19680 1 29 . 1 1 7 7 ALA N N 15 129.39 0.2 . 1 . . . . 85 ALA N . 19680 1 30 . 1 1 8 8 PRO C C 13 176.9 0.2 . 1 . . . . 86 PRO C . 19680 1 31 . 1 1 8 8 PRO CA C 13 63.46 0.2 . 1 . . . . 86 PRO CA . 19680 1 32 . 1 1 8 8 PRO CB C 13 32.15 0.2 . 1 . . . . 86 PRO CB . 19680 1 33 . 1 1 9 9 ASN H H 1 8.48 0.02 . 1 . . . . 87 ASN HN . 19680 1 34 . 1 1 9 9 ASN HA H 1 4.67 0.02 . 1 . . . . 87 ASN HA . 19680 1 35 . 1 1 9 9 ASN C C 13 175 0.2 . 1 . . . . 87 ASN C . 19680 1 36 . 1 1 9 9 ASN CA C 13 53.47 0.2 . 1 . . . . 87 ASN CA . 19680 1 37 . 1 1 9 9 ASN CB C 13 39.16 0.2 . 1 . . . . 87 ASN CB . 19680 1 38 . 1 1 9 9 ASN N N 15 117.8 0.2 . 1 . . . . 87 ASN N . 19680 1 39 . 1 1 10 10 ASP H H 1 8.25 0.02 . 1 . . . . 88 ASP HN . 19680 1 40 . 1 1 10 10 ASP HA H 1 4.09 0.02 . 1 . . . . 88 ASP HA . 19680 1 41 . 1 1 10 10 ASP C C 13 176.4 0.2 . 1 . . . . 88 ASP C . 19680 1 42 . 1 1 10 10 ASP CA C 13 54.62 0.2 . 1 . . . . 88 ASP CA . 19680 1 43 . 1 1 10 10 ASP CB C 13 41.33 0.2 . 1 . . . . 88 ASP CB . 19680 1 44 . 1 1 10 10 ASP N N 15 120.55 0.2 . 1 . . . . 88 ASP N . 19680 1 45 . 1 1 11 11 ARG H H 1 8.29 0.02 . 1 . . . . 89 ARG HN . 19680 1 46 . 1 1 11 11 ARG HA H 1 4.35 0.02 . 1 . . . . 89 ARG HA . 19680 1 47 . 1 1 11 11 ARG C C 13 176.69 0.2 . 1 . . . . 89 ARG C . 19680 1 48 . 1 1 11 11 ARG CA C 13 56.46 0.2 . 1 . . . . 89 ARG CA . 19680 1 49 . 1 1 11 11 ARG CB C 13 30.6 0.2 . 1 . . . . 89 ARG CB . 19680 1 50 . 1 1 11 11 ARG N N 15 120.99 0.2 . 1 . . . . 89 ARG N . 19680 1 51 . 1 1 12 12 SER H H 1 8.44 0.02 . 1 . . . . 90 SER HN . 19680 1 52 . 1 1 12 12 SER HA H 1 4.49 0.02 . 1 . . . . 90 SER HA . 19680 1 53 . 1 1 12 12 SER C C 13 175.12 0.2 . 1 . . . . 90 SER C . 19680 1 54 . 1 1 12 12 SER CA C 13 59.12 0.2 . 1 . . . . 90 SER CA . 19680 1 55 . 1 1 12 12 SER CB C 13 63.9 0.2 . 1 . . . . 90 SER CB . 19680 1 56 . 1 1 12 12 SER N N 15 116.6 0.2 . 1 . . . . 90 SER N . 19680 1 57 . 1 1 13 13 THR H H 1 8.2 0.02 . 1 . . . . 91 THR HN . 19680 1 58 . 1 1 13 13 THR HA H 1 4.44 0.02 . 1 . . . . 91 THR HA . 19680 1 59 . 1 1 13 13 THR C C 13 175.03 0.2 . 1 . . . . 91 THR C . 19680 1 60 . 1 1 13 13 THR CA C 13 62.0 0.2 . 1 . . . . 91 THR CA . 19680 1 61 . 1 1 13 13 THR CB C 13 69.78 0.2 . 1 . . . . 91 THR CB . 19680 1 62 . 1 1 13 13 THR N N 15 115.01 0.2 . 1 . . . . 91 THR N . 19680 1 63 . 1 1 16 16 SER C C 13 174.75 0.2 . 1 . . . . 94 SER C . 19680 1 64 . 1 1 16 16 SER CA C 13 58.67 0.2 . 1 . . . . 94 SER CA . 19680 1 65 . 1 1 16 16 SER CB C 13 64.04 0.2 . 1 . . . . 94 SER CB . 19680 1 66 . 1 1 17 17 SER H H 1 8.43 0.02 . 1 . . . . 95 SER HN . 19680 1 67 . 1 1 17 17 SER C C 13 174.91 0.2 . 1 . . . . 95 SER C . 19680 1 68 . 1 1 17 17 SER CA C 13 58.72 0.2 . 1 . . . . 95 SER CA . 19680 1 69 . 1 1 17 17 SER CB C 13 63.97 0.2 . 1 . . . . 95 SER CB . 19680 1 70 . 1 1 17 17 SER N N 15 117.71 0.2 . 1 . . . . 95 SER N . 19680 1 71 . 1 1 18 18 THR H H 1 8.24 0.02 . 1 . . . . 96 THR HN . 19680 1 72 . 1 1 18 18 THR HA H 1 4.43 0.02 . 1 . . . . 96 THR HA . 19680 1 73 . 1 1 18 18 THR C C 13 174.76 0.2 . 1 . . . . 96 THR C . 19680 1 74 . 1 1 18 18 THR CA C 13 62.18 0.2 . 1 . . . . 96 THR CA . 19680 1 75 . 1 1 18 18 THR CB C 13 69.69 0.2 . 1 . . . . 96 THR CB . 19680 1 76 . 1 1 18 18 THR N N 15 114.87 0.2 . 1 . . . . 96 THR N . 19680 1 77 . 1 1 19 19 ASP H H 1 8.28 0.02 . 1 . . . . 97 ASP HN . 19680 1 78 . 1 1 19 19 ASP HA H 1 4.72 0.02 . 1 . . . . 97 ASP HA . 19680 1 79 . 1 1 19 19 ASP C C 13 176.12 0.2 . 1 . . . . 97 ASP C . 19680 1 80 . 1 1 19 19 ASP CA C 13 54.57 0.2 . 1 . . . . 97 ASP CA . 19680 1 81 . 1 1 19 19 ASP CB C 13 41.67 0.2 . 1 . . . . 97 ASP CB . 19680 1 82 . 1 1 19 19 ASP N N 15 122.2 0.2 . 1 . . . . 97 ASP N . 19680 1 83 . 1 1 20 20 GLY H H 1 8.12 0.02 . 1 . . . . 98 GLY HN . 19680 1 84 . 1 1 20 20 GLY HA2 H 1 4.07 0.02 . 1 . . . . 98 GLY HA . 19680 1 85 . 1 1 20 20 GLY HA3 H 1 4.07 0.02 . 1 . . . . 98 GLY HA . 19680 1 86 . 1 1 20 20 GLY C C 13 171.24 0.2 . 1 . . . . 98 GLY C . 19680 1 87 . 1 1 20 20 GLY CA C 13 45.16 0.2 . 1 . . . . 98 GLY CA . 19680 1 88 . 1 1 20 20 GLY N N 15 108.7 0.2 . 1 . . . . 98 GLY N . 19680 1 89 . 1 1 21 21 PRO C C 13 176.66 0.2 . 1 . . . . 99 PRO C . 19680 1 90 . 1 1 21 21 PRO CA C 13 63.42 0.2 . 1 . . . . 99 PRO CA . 19680 1 91 . 1 1 21 21 PRO CB C 13 32.28 0.2 . 1 . . . . 99 PRO CB . 19680 1 92 . 1 1 22 22 ARG H H 1 8.32 0.02 . 1 . . . . 100 ARG HN . 19680 1 93 . 1 1 22 22 ARG HA H 1 4.45 0.02 . 1 . . . . 100 ARG HA . 19680 1 94 . 1 1 22 22 ARG C C 13 173.89 0.2 . 1 . . . . 100 ARG C . 19680 1 95 . 1 1 22 22 ARG CA C 13 55.51 0.2 . 1 . . . . 100 ARG CA . 19680 1 96 . 1 1 22 22 ARG CB C 13 32.26 0.2 . 1 . . . . 100 ARG CB . 19680 1 97 . 1 1 22 22 ARG N N 15 117.85 0.2 . 1 . . . . 100 ARG N . 19680 1 98 . 1 1 23 23 ARG H H 1 8.05 0.02 . 1 . . . . 101 ARG HN . 19680 1 99 . 1 1 23 23 ARG HA H 1 5.05 0.02 . 1 . . . . 101 ARG HA . 19680 1 100 . 1 1 23 23 ARG C C 13 174.68 0.2 . 1 . . . . 101 ARG C . 19680 1 101 . 1 1 23 23 ARG CA C 13 55.75 0.2 . 1 . . . . 101 ARG CA . 19680 1 102 . 1 1 23 23 ARG CB C 13 32.78 0.2 . 1 . . . . 101 ARG CB . 19680 1 103 . 1 1 23 23 ARG N N 15 122.58 0.2 . 1 . . . . 101 ARG N . 19680 1 104 . 1 1 24 24 LEU H H 1 9.56 0.02 . 1 . . . . 102 LEU HN . 19680 1 105 . 1 1 24 24 LEU HA H 1 5.1 0.02 . 1 . . . . 102 LEU HA . 19680 1 106 . 1 1 24 24 LEU C C 13 175.58 0.2 . 1 . . . . 102 LEU C . 19680 1 107 . 1 1 24 24 LEU CA C 13 53.56 0.2 . 1 . . . . 102 LEU CA . 19680 1 108 . 1 1 24 24 LEU CB C 13 44.33 0.2 . 1 . . . . 102 LEU CB . 19680 1 109 . 1 1 24 24 LEU N N 15 125.56 0.2 . 1 . . . . 102 LEU N . 19680 1 110 . 1 1 25 25 HIS H H 1 9.49 0.02 . 1 . . . . 103 HIS HN . 19680 1 111 . 1 1 25 25 HIS HA H 1 4.93 0.02 . 1 . . . . 103 HIS HA . 19680 1 112 . 1 1 25 25 HIS C C 13 174.09 0.2 . 1 . . . . 103 HIS C . 19680 1 113 . 1 1 25 25 HIS CA C 13 54.97 0.2 . 1 . . . . 103 HIS CA . 19680 1 114 . 1 1 25 25 HIS CB C 13 33.34 0.2 . 1 . . . . 103 HIS CB . 19680 1 115 . 1 1 25 25 HIS N N 15 123.38 0.2 . 1 . . . . 103 HIS N . 19680 1 116 . 1 1 26 26 VAL H H 1 8.82 0.02 . 1 . . . . 104 VAL HN . 19680 1 117 . 1 1 26 26 VAL HA H 1 4.99 0.02 . 1 . . . . 104 VAL HA . 19680 1 118 . 1 1 26 26 VAL C C 13 173.82 0.2 . 1 . . . . 104 VAL C . 19680 1 119 . 1 1 26 26 VAL CA C 13 60.37 0.2 . 1 . . . . 104 VAL CA . 19680 1 120 . 1 1 26 26 VAL CB C 13 33.52 0.2 . 1 . . . . 104 VAL CB . 19680 1 121 . 1 1 26 26 VAL N N 15 128.42 0.2 . 1 . . . . 104 VAL N . 19680 1 122 . 1 1 27 27 SER H H 1 9.2 0.02 . 1 . . . . 105 SER HN . 19680 1 123 . 1 1 27 27 SER HA H 1 4.97 0.02 . 1 . . . . 105 SER HA . 19680 1 124 . 1 1 27 27 SER CA C 13 57.0 0.2 . 1 . . . . 105 SER CA . 19680 1 125 . 1 1 27 27 SER CB C 13 66.05 0.2 . 1 . . . . 105 SER CB . 19680 1 126 . 1 1 27 27 SER N N 15 119.62 0.2 . 1 . . . . 105 SER N . 19680 1 127 . 1 1 28 28 ASN H H 1 8.32 0.02 . 1 . . . . 106 ASN HN . 19680 1 128 . 1 1 28 28 ASN HA H 1 4.44 0.02 . 1 . . . . 106 ASN HA . 19680 1 129 . 1 1 28 28 ASN C C 13 174.65 0.2 . 1 . . . . 106 ASN C . 19680 1 130 . 1 1 28 28 ASN CA C 13 54.09 0.2 . 1 . . . . 106 ASN CA . 19680 1 131 . 1 1 28 28 ASN CB C 13 37.54 0.2 . 1 . . . . 106 ASN CB . 19680 1 132 . 1 1 28 28 ASN N N 15 117.95 0.2 . 1 . . . . 106 ASN N . 19680 1 133 . 1 1 29 29 ILE H H 1 7.21 0.02 . 1 . . . . 107 ILE HN . 19680 1 134 . 1 1 29 29 ILE HA H 1 3.93 0.02 . 1 . . . . 107 ILE HA . 19680 1 135 . 1 1 29 29 ILE C C 13 173.31 0.2 . 1 . . . . 107 ILE C . 19680 1 136 . 1 1 29 29 ILE CA C 13 59.3 0.2 . 1 . . . . 107 ILE CA . 19680 1 137 . 1 1 29 29 ILE CB C 13 37.49 0.2 . 1 . . . . 107 ILE CB . 19680 1 138 . 1 1 29 29 ILE N N 15 109.26 0.2 . 1 . . . . 107 ILE N . 19680 1 139 . 1 1 30 30 PRO C C 13 178.06 0.2 . 1 . . . . 108 PRO C . 19680 1 140 . 1 1 30 30 PRO CA C 13 63.26 0.2 . 1 . . . . 108 PRO CA . 19680 1 141 . 1 1 30 30 PRO CB C 13 32.08 0.2 . 1 . . . . 108 PRO CB . 19680 1 142 . 1 1 31 31 PHE H H 1 8.41 0.02 . 1 . . . . 109 PHE HN . 19680 1 143 . 1 1 31 31 PHE C C 13 176.45 0.2 . 1 . . . . 109 PHE C . 19680 1 144 . 1 1 31 31 PHE CA C 13 60.93 0.2 . 1 . . . . 109 PHE CA . 19680 1 145 . 1 1 31 31 PHE CB C 13 38.76 0.2 . 1 . . . . 109 PHE CB . 19680 1 146 . 1 1 31 31 PHE N N 15 125.23 0.2 . 1 . . . . 109 PHE N . 19680 1 147 . 1 1 32 32 LYS H H 1 8.12 0.02 . 1 . . . . 110 LYS HN . 19680 1 148 . 1 1 32 32 LYS C C 13 177.47 0.2 . 1 . . . . 110 LYS C . 19680 1 149 . 1 1 32 32 LYS CA C 13 56.81 0.2 . 1 . . . . 110 LYS CA . 19680 1 150 . 1 1 32 32 LYS CB C 13 32.52 0.2 . 1 . . . . 110 LYS CB . 19680 1 151 . 1 1 32 32 LYS N N 15 113.4 0.2 . 1 . . . . 110 LYS N . 19680 1 152 . 1 1 33 33 TYR H H 1 7.68 0.02 . 1 . . . . 111 TYR HN . 19680 1 153 . 1 1 33 33 TYR HA H 1 4.46 0.02 . 1 . . . . 111 TYR HA . 19680 1 154 . 1 1 33 33 TYR C C 13 176.96 0.2 . 1 . . . . 111 TYR C . 19680 1 155 . 1 1 33 33 TYR CA C 13 58.67 0.2 . 1 . . . . 111 TYR CA . 19680 1 156 . 1 1 33 33 TYR CB C 13 37.79 0.2 . 1 . . . . 111 TYR CB . 19680 1 157 . 1 1 33 33 TYR N N 15 120.93 0.2 . 1 . . . . 111 TYR N . 19680 1 158 . 1 1 34 34 ARG H H 1 9.63 0.02 . 1 . . . . 112 ARG HN . 19680 1 159 . 1 1 34 34 ARG HA H 1 4.95 0.02 . 1 . . . . 112 ARG HA . 19680 1 160 . 1 1 34 34 ARG C C 13 176.45 0.2 . 1 . . . . 112 ARG C . 19680 1 161 . 1 1 34 34 ARG CA C 13 53.11 0.2 . 1 . . . . 112 ARG CA . 19680 1 162 . 1 1 34 34 ARG CB C 13 33.28 0.2 . 1 . . . . 112 ARG CB . 19680 1 163 . 1 1 34 34 ARG N N 15 123.23 0.2 . 1 . . . . 112 ARG N . 19680 1 164 . 1 1 35 35 GLU H H 1 10.54 0.02 . 1 . . . . 113 GLU HN . 19680 1 165 . 1 1 35 35 GLU C C 13 176.19 0.2 . 1 . . . . 113 GLU C . 19680 1 166 . 1 1 35 35 GLU CA C 13 63.65 0.2 . 1 . . . . 113 GLU CA . 19680 1 167 . 1 1 35 35 GLU CB C 13 26.31 0.2 . 1 . . . . 113 GLU CB . 19680 1 168 . 1 1 35 35 GLU N N 15 122.75 0.2 . 1 . . . . 113 GLU N . 19680 1 169 . 1 1 36 36 PRO C C 13 179.14 0.2 . 1 . . . . 114 PRO C . 19680 1 170 . 1 1 36 36 PRO CA C 13 66.11 0.2 . 1 . . . . 114 PRO CA . 19680 1 171 . 1 1 36 36 PRO CB C 13 31.27 0.2 . 1 . . . . 114 PRO CB . 19680 1 172 . 1 1 37 37 ASP H H 1 7.2 0.02 . 1 . . . . 115 ASP HN . 19680 1 173 . 1 1 37 37 ASP HA H 1 4.13 0.02 . 1 . . . . 115 ASP HA . 19680 1 174 . 1 1 37 37 ASP C C 13 178.58 0.2 . 1 . . . . 115 ASP C . 19680 1 175 . 1 1 37 37 ASP CA C 13 56.93 0.2 . 1 . . . . 115 ASP CA . 19680 1 176 . 1 1 37 37 ASP CB C 13 40.71 0.2 . 1 . . . . 115 ASP CB . 19680 1 177 . 1 1 37 37 ASP N N 15 115.45 0.2 . 1 . . . . 115 ASP N . 19680 1 178 . 1 1 38 38 LEU H H 1 7.47 0.02 . 1 . . . . 116 LEU HN . 19680 1 179 . 1 1 38 38 LEU HA H 1 4.28 0.02 . 1 . . . . 116 LEU HA . 19680 1 180 . 1 1 38 38 LEU C C 13 178.37 0.2 . 1 . . . . 116 LEU C . 19680 1 181 . 1 1 38 38 LEU CA C 13 57.24 0.2 . 1 . . . . 116 LEU CA . 19680 1 182 . 1 1 38 38 LEU CB C 13 42.98 0.2 . 1 . . . . 116 LEU CB . 19680 1 183 . 1 1 38 38 LEU N N 15 119.38 0.2 . 1 . . . . 116 LEU N . 19680 1 184 . 1 1 39 39 THR H H 1 8.55 0.02 . 1 . . . . 117 THR HN . 19680 1 185 . 1 1 39 39 THR HA H 1 3.72 0.02 . 1 . . . . 117 THR HA . 19680 1 186 . 1 1 39 39 THR C C 13 176.93 0.2 . 1 . . . . 117 THR C . 19680 1 187 . 1 1 39 39 THR CA C 13 68.42 0.2 . 1 . . . . 117 THR CA . 19680 1 188 . 1 1 39 39 THR N N 15 116.4 0.2 . 1 . . . . 117 THR N . 19680 1 189 . 1 1 40 40 ALA H H 1 7.68 0.02 . 1 . . . . 118 ALA HN . 19680 1 190 . 1 1 40 40 ALA HA H 1 4.03 0.02 . 1 . . . . 118 ALA HA . 19680 1 191 . 1 1 40 40 ALA C C 13 179.7 0.2 . 1 . . . . 118 ALA C . 19680 1 192 . 1 1 40 40 ALA CA C 13 55.04 0.2 . 1 . . . . 118 ALA CA . 19680 1 193 . 1 1 40 40 ALA CB C 13 18.27 0.2 . 1 . . . . 118 ALA CB . 19680 1 194 . 1 1 40 40 ALA N N 15 120.3 0.2 . 1 . . . . 118 ALA N . 19680 1 195 . 1 1 41 41 MET H H 1 7.25 0.02 . 1 . . . . 119 MET HN . 19680 1 196 . 1 1 41 41 MET HA H 1 4 0.02 . 1 . . . . 119 MET HA . 19680 1 197 . 1 1 41 41 MET C C 13 176.81 0.2 . 1 . . . . 119 MET C . 19680 1 198 . 1 1 41 41 MET CA C 13 59.02 0.2 . 1 . . . . 119 MET CA . 19680 1 199 . 1 1 41 41 MET CB C 13 33.03 0.2 . 1 . . . . 119 MET CB . 19680 1 200 . 1 1 41 41 MET N N 15 115.33 0.2 . 1 . . . . 119 MET N . 19680 1 201 . 1 1 42 42 PHE H H 1 7.88 0.02 . 1 . . . . 120 PHE HN . 19680 1 202 . 1 1 42 42 PHE HA H 1 4.18 0.02 . 1 . . . . 120 PHE HA . 19680 1 203 . 1 1 42 42 PHE C C 13 178.19 0.2 . 1 . . . . 120 PHE C . 19680 1 204 . 1 1 42 42 PHE CA C 13 62.68 0.2 . 1 . . . . 120 PHE CA . 19680 1 205 . 1 1 42 42 PHE CB C 13 39.7 0.2 . 1 . . . . 120 PHE CB . 19680 1 206 . 1 1 42 42 PHE N N 15 114.75 0.2 . 1 . . . . 120 PHE N . 19680 1 207 . 1 1 43 43 GLU H H 1 8.79 0.02 . 1 . . . . 121 GLU HN . 19680 1 208 . 1 1 43 43 GLU HA H 1 5.02 0.02 . 1 . . . . 121 GLU HA . 19680 1 209 . 1 1 43 43 GLU C C 13 178.18 0.2 . 1 . . . . 121 GLU C . 19680 1 210 . 1 1 43 43 GLU CA C 13 57.97 0.2 . 1 . . . . 121 GLU CA . 19680 1 211 . 1 1 43 43 GLU CB C 13 29.16 0.2 . 1 . . . . 121 GLU CB . 19680 1 212 . 1 1 43 43 GLU N N 15 120.64 0.2 . 1 . . . . 121 GLU N . 19680 1 213 . 1 1 44 44 LYS H H 1 7.12 0.02 . 1 . . . . 122 LYS HN . 19680 1 214 . 1 1 44 44 LYS HA H 1 4.08 0.02 . 1 . . . . 122 LYS HA . 19680 1 215 . 1 1 44 44 LYS C C 13 177.98 0.2 . 1 . . . . 122 LYS C . 19680 1 216 . 1 1 44 44 LYS CA C 13 58.92 0.2 . 1 . . . . 122 LYS CA . 19680 1 217 . 1 1 44 44 LYS CB C 13 32.81 0.2 . 1 . . . . 122 LYS CB . 19680 1 218 . 1 1 44 44 LYS N N 15 117.05 0.2 . 1 . . . . 122 LYS N . 19680 1 219 . 1 1 45 45 VAL H H 1 7.97 0.02 . 1 . . . . 123 VAL HN . 19680 1 220 . 1 1 45 45 VAL HA H 1 3.95 0.02 . 1 . . . . 123 VAL HA . 19680 1 221 . 1 1 45 45 VAL C C 13 175.61 0.2 . 1 . . . . 123 VAL C . 19680 1 222 . 1 1 45 45 VAL CA C 13 64.4 0.2 . 1 . . . . 123 VAL CA . 19680 1 223 . 1 1 45 45 VAL CB C 13 32.75 0.2 . 1 . . . . 123 VAL CB . 19680 1 224 . 1 1 45 45 VAL N N 15 117.73 0.2 . 1 . . . . 123 VAL N . 19680 1 225 . 1 1 46 46 GLY H H 1 7.81 0.02 . 1 . . . . 124 GLY HN . 19680 1 226 . 1 1 46 46 GLY HA2 H 1 4.08 0.02 . 1 . . . . 124 GLY HA . 19680 1 227 . 1 1 46 46 GLY HA3 H 1 4.08 0.02 . 1 . . . . 124 GLY HA . 19680 1 228 . 1 1 46 46 GLY C C 13 168.98 0.2 . 1 . . . . 124 GLY C . 19680 1 229 . 1 1 46 46 GLY CA C 13 45.6 0.2 . 1 . . . . 124 GLY CA . 19680 1 230 . 1 1 46 46 GLY N N 15 106.49 0.2 . 1 . . . . 124 GLY N . 19680 1 231 . 1 1 47 47 PRO C C 13 177.07 0.2 . 1 . . . . 125 PRO C . 19680 1 232 . 1 1 47 47 PRO CA C 13 63.73 0.2 . 1 . . . . 125 PRO CA . 19680 1 233 . 1 1 47 47 PRO CB C 13 31.95 0.2 . 1 . . . . 125 PRO CB . 19680 1 234 . 1 1 48 48 VAL H H 1 9.04 0.02 . 1 . . . . 126 VAL HN . 19680 1 235 . 1 1 48 48 VAL HA H 1 4.29 0.02 . 1 . . . . 126 VAL HA . 19680 1 236 . 1 1 48 48 VAL C C 13 176.66 0.2 . 1 . . . . 126 VAL C . 19680 1 237 . 1 1 48 48 VAL CA C 13 62.07 0.2 . 1 . . . . 126 VAL CA . 19680 1 238 . 1 1 48 48 VAL CB C 13 34.86 0.2 . 1 . . . . 126 VAL CB . 19680 1 239 . 1 1 48 48 VAL N N 15 125.64 0.2 . 1 . . . . 126 VAL N . 19680 1 240 . 1 1 49 49 VAL H H 1 8.97 0.02 . 1 . . . . 127 VAL HN . 19680 1 241 . 1 1 49 49 VAL HA H 1 4.11 0.02 . 1 . . . . 127 VAL HA . 19680 1 242 . 1 1 49 49 VAL C C 13 175.41 0.2 . 1 . . . . 127 VAL C . 19680 1 243 . 1 1 49 49 VAL CA C 13 63.5 0.2 . 1 . . . . 127 VAL CA . 19680 1 244 . 1 1 49 49 VAL CB C 13 33.21 0.2 . 1 . . . . 127 VAL CB . 19680 1 245 . 1 1 49 49 VAL N N 15 124.16 0.2 . 1 . . . . 127 VAL N . 19680 1 246 . 1 1 50 50 ASP H H 1 7.55 0.02 . 1 . . . . 128 ASP HN . 19680 1 247 . 1 1 50 50 ASP HA H 1 4.81 0.02 . 1 . . . . 128 ASP HA . 19680 1 248 . 1 1 50 50 ASP C C 13 173.38 0.2 . 1 . . . . 128 ASP C . 19680 1 249 . 1 1 50 50 ASP CA C 13 54.34 0.2 . 1 . . . . 128 ASP CA . 19680 1 250 . 1 1 50 50 ASP CB C 13 44.39 0.2 . 1 . . . . 128 ASP CB . 19680 1 251 . 1 1 50 50 ASP N N 15 116.53 0.2 . 1 . . . . 128 ASP N . 19680 1 252 . 1 1 51 51 VAL H H 1 8.13 0.02 . 1 . . . . 129 VAL HN . 19680 1 253 . 1 1 51 51 VAL HA H 1 4.9 0.02 . 1 . . . . 129 VAL HA . 19680 1 254 . 1 1 51 51 VAL C C 13 173.51 0.2 . 1 . . . . 129 VAL C . 19680 1 255 . 1 1 51 51 VAL CA C 13 60.94 0.2 . 1 . . . . 129 VAL CA . 19680 1 256 . 1 1 51 51 VAL CB C 13 36.22 0.2 . 1 . . . . 129 VAL CB . 19680 1 257 . 1 1 51 51 VAL N N 15 117.8 0.2 . 1 . . . . 129 VAL N . 19680 1 258 . 1 1 52 52 GLU H H 1 8.82 0.02 . 1 . . . . 130 GLU HN . 19680 1 259 . 1 1 52 52 GLU HA H 1 4.79 0.02 . 1 . . . . 130 GLU HA . 19680 1 260 . 1 1 52 52 GLU C C 13 174.59 0.2 . 1 . . . . 130 GLU C . 19680 1 261 . 1 1 52 52 GLU CA C 13 55.35 0.2 . 1 . . . . 130 GLU CA . 19680 1 262 . 1 1 52 52 GLU CB C 13 33.95 0.2 . 1 . . . . 130 GLU CB . 19680 1 263 . 1 1 52 52 GLU N N 15 124.08 0.2 . 1 . . . . 130 GLU N . 19680 1 264 . 1 1 53 53 ILE H H 1 8.97 0.02 . 1 . . . . 131 ILE HN . 19680 1 265 . 1 1 53 53 ILE HA H 1 4.22 0.02 . 1 . . . . 131 ILE HA . 19680 1 266 . 1 1 53 53 ILE C C 13 173.99 0.2 . 1 . . . . 131 ILE C . 19680 1 267 . 1 1 53 53 ILE CA C 13 60.54 0.2 . 1 . . . . 131 ILE CA . 19680 1 268 . 1 1 53 53 ILE CB C 13 39.63 0.2 . 1 . . . . 131 ILE CB . 19680 1 269 . 1 1 53 53 ILE N N 15 126.01 0.2 . 1 . . . . 131 ILE N . 19680 1 270 . 1 1 54 54 ILE H H 1 7.83 0.02 . 1 . . . . 132 ILE HN . 19680 1 271 . 1 1 54 54 ILE C C 13 174.18 0.2 . 1 . . . . 132 ILE C . 19680 1 272 . 1 1 54 54 ILE CA C 13 59.4 0.2 . 1 . . . . 132 ILE CA . 19680 1 273 . 1 1 54 54 ILE CB C 13 36.05 0.2 . 1 . . . . 132 ILE CB . 19680 1 274 . 1 1 54 54 ILE N N 15 127.07 0.2 . 1 . . . . 132 ILE N . 19680 1 275 . 1 1 55 55 PHE H H 1 8.6 0.02 . 1 . . . . 133 PHE HN . 19680 1 276 . 1 1 55 55 PHE C C 13 176.54 0.2 . 1 . . . . 133 PHE C . 19680 1 277 . 1 1 55 55 PHE CA C 13 57.2 0.2 . 1 . . . . 133 PHE CA . 19680 1 278 . 1 1 55 55 PHE CB C 13 42.7 0.2 . 1 . . . . 133 PHE CB . 19680 1 279 . 1 1 55 55 PHE N N 15 124.83 0.2 . 1 . . . . 133 PHE N . 19680 1 280 . 1 1 56 56 ASN H H 1 8.92 0.02 . 1 . . . . 134 ASN HN . 19680 1 281 . 1 1 56 56 ASN HA H 1 4.93 0.02 . 1 . . . . 134 ASN HA . 19680 1 282 . 1 1 56 56 ASN C C 13 176.14 0.2 . 1 . . . . 134 ASN C . 19680 1 283 . 1 1 56 56 ASN CA C 13 52.19 0.2 . 1 . . . . 134 ASN CA . 19680 1 284 . 1 1 56 56 ASN CB C 13 39.8 0.2 . 1 . . . . 134 ASN CB . 19680 1 285 . 1 1 56 56 ASN N N 15 119.33 0.2 . 1 . . . . 134 ASN N . 19680 1 286 . 1 1 57 57 GLU H H 1 9.14 0.02 . 1 . . . . 135 GLU HN . 19680 1 287 . 1 1 57 57 GLU C C 13 177.18 0.2 . 1 . . . . 135 GLU C . 19680 1 288 . 1 1 57 57 GLU CA C 13 58.88 0.2 . 1 . . . . 135 GLU CA . 19680 1 289 . 1 1 57 57 GLU CB C 13 29.41 0.2 . 1 . . . . 135 GLU CB . 19680 1 290 . 1 1 57 57 GLU N N 15 119.11 0.2 . 1 . . . . 135 GLU N . 19680 1 291 . 1 1 58 58 ARG H H 1 8.07 0.02 . 1 . . . . 136 ARG HN . 19680 1 292 . 1 1 58 58 ARG HA H 1 4.33 0.02 . 1 . . . . 136 ARG HA . 19680 1 293 . 1 1 58 58 ARG C C 13 176.28 0.2 . 1 . . . . 136 ARG C . 19680 1 294 . 1 1 58 58 ARG CA C 13 56.56 0.2 . 1 . . . . 136 ARG CA . 19680 1 295 . 1 1 58 58 ARG CB C 13 30.57 0.2 . 1 . . . . 136 ARG CB . 19680 1 296 . 1 1 58 58 ARG N N 15 117.56 0.2 . 1 . . . . 136 ARG N . 19680 1 297 . 1 1 59 59 GLY H H 1 7.89 0.02 . 1 . . . . 137 GLY HN . 19680 1 298 . 1 1 59 59 GLY HA2 H 1 4.36 0.02 . 1 . . . . 137 GLY HA . 19680 1 299 . 1 1 59 59 GLY HA3 H 1 4.36 0.02 . 1 . . . . 137 GLY HA . 19680 1 300 . 1 1 59 59 GLY C C 13 172.69 0.2 . 1 . . . . 137 GLY C . 19680 1 301 . 1 1 59 59 GLY CA C 13 44.84 0.2 . 1 . . . . 137 GLY CA . 19680 1 302 . 1 1 59 59 GLY N N 15 107.91 0.2 . 1 . . . . 137 GLY N . 19680 1 303 . 1 1 60 60 SER H H 1 8.33 0.02 . 1 . . . . 138 SER HN . 19680 1 304 . 1 1 60 60 SER HA H 1 4.21 0.02 . 1 . . . . 138 SER HA . 19680 1 305 . 1 1 60 60 SER C C 13 176.1 0.2 . 1 . . . . 138 SER C . 19680 1 306 . 1 1 60 60 SER CA C 13 58.27 0.2 . 1 . . . . 138 SER CA . 19680 1 307 . 1 1 60 60 SER CB C 13 64.6 0.2 . 1 . . . . 138 SER CB . 19680 1 308 . 1 1 60 60 SER N N 15 114.97 0.2 . 1 . . . . 138 SER N . 19680 1 309 . 1 1 61 61 LYS H H 1 8.95 0.02 . 1 . . . . 139 LYS HN . 19680 1 310 . 1 1 61 61 LYS HA H 1 4.21 0.02 . 1 . . . . 139 LYS HA . 19680 1 311 . 1 1 61 61 LYS C C 13 177.42 0.2 . 1 . . . . 139 LYS C . 19680 1 312 . 1 1 61 61 LYS CA C 13 56.81 0.2 . 1 . . . . 139 LYS CA . 19680 1 313 . 1 1 61 61 LYS CB C 13 32.9 0.2 . 1 . . . . 139 LYS CB . 19680 1 314 . 1 1 61 61 LYS N N 15 123.14 0.2 . 1 . . . . 139 LYS N . 19680 1 315 . 1 1 62 62 GLY H H 1 9.27 0.02 . 1 . . . . 140 GLY HN . 19680 1 316 . 1 1 62 62 GLY C C 13 172.52 0.2 . 1 . . . . 140 GLY C . 19680 1 317 . 1 1 62 62 GLY CA C 13 45.93 0.2 . 1 . . . . 140 GLY CA . 19680 1 318 . 1 1 62 62 GLY N N 15 108.6 0.2 . 1 . . . . 140 GLY N . 19680 1 319 . 1 1 63 63 PHE C C 13 172.27 0.2 . 1 . . . . 141 PHE C . 19680 1 320 . 1 1 63 63 PHE CA C 13 55.29 0.2 . 1 . . . . 141 PHE CA . 19680 1 321 . 1 1 63 63 PHE CB C 13 41.83 0.2 . 1 . . . . 141 PHE CB . 19680 1 322 . 1 1 64 64 GLY H H 1 8.78 0.02 . 1 . . . . 142 GLY HN . 19680 1 323 . 1 1 64 64 GLY HA2 H 1 4.17 0.02 . 1 . . . . 142 GLY HA . 19680 1 324 . 1 1 64 64 GLY HA3 H 1 4.17 0.02 . 1 . . . . 142 GLY HA . 19680 1 325 . 1 1 64 64 GLY C C 13 170.19 0.2 . 1 . . . . 142 GLY C . 19680 1 326 . 1 1 64 64 GLY CA C 13 45.56 0.2 . 1 . . . . 142 GLY CA . 19680 1 327 . 1 1 64 64 GLY N N 15 105.2 0.2 . 1 . . . . 142 GLY N . 19680 1 328 . 1 1 65 65 PHE H H 1 9.23 0.02 . 1 . . . . 143 PHE HN . 19680 1 329 . 1 1 65 65 PHE HA H 1 5.94 0.02 . 1 . . . . 143 PHE HA . 19680 1 330 . 1 1 65 65 PHE C C 13 175.52 0.2 . 1 . . . . 143 PHE C . 19680 1 331 . 1 1 65 65 PHE CA C 13 56.13 0.2 . 1 . . . . 143 PHE CA . 19680 1 332 . 1 1 65 65 PHE CB C 13 43.77 0.2 . 1 . . . . 143 PHE CB . 19680 1 333 . 1 1 65 65 PHE N N 15 116.5 0.2 . 1 . . . . 143 PHE N . 19680 1 334 . 1 1 66 66 VAL H H 1 8.95 0.02 . 1 . . . . 144 VAL HN . 19680 1 335 . 1 1 66 66 VAL HA H 1 4.52 0.02 . 1 . . . . 144 VAL HA . 19680 1 336 . 1 1 66 66 VAL C C 13 174.62 0.2 . 1 . . . . 144 VAL C . 19680 1 337 . 1 1 66 66 VAL CA C 13 61.32 0.2 . 1 . . . . 144 VAL CA . 19680 1 338 . 1 1 66 66 VAL CB C 13 35.97 0.2 . 1 . . . . 144 VAL CB . 19680 1 339 . 1 1 66 66 VAL N N 15 121.97 0.2 . 1 . . . . 144 VAL N . 19680 1 340 . 1 1 67 67 THR H H 1 9.16 0.02 . 1 . . . . 145 THR HN . 19680 1 341 . 1 1 67 67 THR HA H 1 4.88 0.02 . 1 . . . . 145 THR HA . 19680 1 342 . 1 1 67 67 THR C C 13 174.34 0.2 . 1 . . . . 145 THR C . 19680 1 343 . 1 1 67 67 THR CA C 13 62.32 0.2 . 1 . . . . 145 THR CA . 19680 1 344 . 1 1 67 67 THR CB C 13 68.9 0.2 . 1 . . . . 145 THR CB . 19680 1 345 . 1 1 67 67 THR N N 15 124.36 0.2 . 1 . . . . 145 THR N . 19680 1 346 . 1 1 68 68 MET H H 1 8.77 0.02 . 1 . . . . 146 MET HN . 19680 1 347 . 1 1 68 68 MET HA H 1 5.09 0.02 . 1 . . . . 146 MET HA . 19680 1 348 . 1 1 68 68 MET C C 13 175.61 0.2 . 1 . . . . 146 MET C . 19680 1 349 . 1 1 68 68 MET CA C 13 53.24 0.2 . 1 . . . . 146 MET CA . 19680 1 350 . 1 1 68 68 MET CB C 13 31.27 0.2 . 1 . . . . 146 MET CB . 19680 1 351 . 1 1 68 68 MET N N 15 125.83 0.2 . 1 . . . . 146 MET N . 19680 1 352 . 1 1 69 69 GLN H H 1 8.36 0.02 . 1 . . . . 147 GLN HN . 19680 1 353 . 1 1 69 69 GLN HA H 1 4.09 0.02 . 1 . . . . 147 GLN HA . 19680 1 354 . 1 1 69 69 GLN C C 13 175.64 0.2 . 1 . . . . 147 GLN C . 19680 1 355 . 1 1 69 69 GLN CA C 13 59.42 0.2 . 1 . . . . 147 GLN CA . 19680 1 356 . 1 1 69 69 GLN CB C 13 30.48 0.2 . 1 . . . . 147 GLN CB . 19680 1 357 . 1 1 69 69 GLN N N 15 120.34 0.2 . 1 . . . . 147 GLN N . 19680 1 358 . 1 1 70 70 ASN H H 1 9.04 0.02 . 1 . . . . 148 ASN HN . 19680 1 359 . 1 1 70 70 ASN HA H 1 5.34 0.02 . 1 . . . . 148 ASN HA . 19680 1 360 . 1 1 70 70 ASN C C 13 174.59 0.2 . 1 . . . . 148 ASN C . 19680 1 361 . 1 1 70 70 ASN CA C 13 50.05 0.2 . 1 . . . . 148 ASN CA . 19680 1 362 . 1 1 70 70 ASN CB C 13 39.93 0.2 . 1 . . . . 148 ASN CB . 19680 1 363 . 1 1 70 70 ASN N N 15 114.85 0.2 . 1 . . . . 148 ASN N . 19680 1 364 . 1 1 71 71 PRO C C 13 178.58 0.2 . 1 . . . . 149 PRO C . 19680 1 365 . 1 1 71 71 PRO CA C 13 65.74 0.2 . 1 . . . . 149 PRO CA . 19680 1 366 . 1 1 71 71 PRO CB C 13 32.22 0.2 . 1 . . . . 149 PRO CB . 19680 1 367 . 1 1 72 72 ASP H H 1 8.67 0.02 . 1 . . . . 150 ASP HN . 19680 1 368 . 1 1 72 72 ASP HA H 1 4.48 0.02 . 1 . . . . 150 ASP HA . 19680 1 369 . 1 1 72 72 ASP C C 13 179.1 0.2 . 1 . . . . 150 ASP C . 19680 1 370 . 1 1 72 72 ASP CA C 13 57.03 0.2 . 1 . . . . 150 ASP CA . 19680 1 371 . 1 1 72 72 ASP CB C 13 39.96 0.2 . 1 . . . . 150 ASP CB . 19680 1 372 . 1 1 72 72 ASP N N 15 117.75 0.2 . 1 . . . . 150 ASP N . 19680 1 373 . 1 1 73 73 ASP H H 1 7.69 0.02 . 1 . . . . 151 ASP HN . 19680 1 374 . 1 1 73 73 ASP HA H 1 4.42 0.02 . 1 . . . . 151 ASP HA . 19680 1 375 . 1 1 73 73 ASP C C 13 178.27 0.2 . 1 . . . . 151 ASP C . 19680 1 376 . 1 1 73 73 ASP CA C 13 56.81 0.2 . 1 . . . . 151 ASP CA . 19680 1 377 . 1 1 73 73 ASP CB C 13 40.04 0.2 . 1 . . . . 151 ASP CB . 19680 1 378 . 1 1 73 73 ASP N N 15 119.83 0.2 . 1 . . . . 151 ASP N . 19680 1 379 . 1 1 74 74 ALA H H 1 7.69 0.02 . 1 . . . . 152 ALA HN . 19680 1 380 . 1 1 74 74 ALA HA H 1 4.19 0.02 . 1 . . . . 152 ALA HA . 19680 1 381 . 1 1 74 74 ALA C C 13 178.59 0.2 . 1 . . . . 152 ALA C . 19680 1 382 . 1 1 74 74 ALA CA C 13 56.21 0.2 . 1 . . . . 152 ALA CA . 19680 1 383 . 1 1 74 74 ALA CB C 13 17.72 0.2 . 1 . . . . 152 ALA CB . 19680 1 384 . 1 1 74 74 ALA N N 15 122.64 0.2 . 1 . . . . 152 ALA N . 19680 1 385 . 1 1 75 75 ASP H H 1 7.8 0.02 . 1 . . . . 153 ASP HN . 19680 1 386 . 1 1 75 75 ASP HA H 1 4.42 0.02 . 1 . . . . 153 ASP HA . 19680 1 387 . 1 1 75 75 ASP C C 13 179.33 0.2 . 1 . . . . 153 ASP C . 19680 1 388 . 1 1 75 75 ASP CA C 13 58.09 0.2 . 1 . . . . 153 ASP CA . 19680 1 389 . 1 1 75 75 ASP CB C 13 41.2 0.2 . 1 . . . . 153 ASP CB . 19680 1 390 . 1 1 75 75 ASP N N 15 117.67 0.2 . 1 . . . . 153 ASP N . 19680 1 391 . 1 1 76 76 ARG H H 1 7.99 0.02 . 1 . . . . 154 ARG HN . 19680 1 392 . 1 1 76 76 ARG HA H 1 4.13 0.02 . 1 . . . . 154 ARG HA . 19680 1 393 . 1 1 76 76 ARG C C 13 178.53 0.2 . 1 . . . . 154 ARG C . 19680 1 394 . 1 1 76 76 ARG CA C 13 59.71 0.2 . 1 . . . . 154 ARG CA . 19680 1 395 . 1 1 76 76 ARG CB C 13 30.57 0.2 . 1 . . . . 154 ARG CB . 19680 1 396 . 1 1 76 76 ARG N N 15 119.8 0.2 . 1 . . . . 154 ARG N . 19680 1 397 . 1 1 77 77 ALA H H 1 8.87 0.02 . 1 . . . . 155 ALA HN . 19680 1 398 . 1 1 77 77 ALA HA H 1 3.84 0.02 . 1 . . . . 155 ALA HA . 19680 1 399 . 1 1 77 77 ALA C C 13 179.07 0.2 . 1 . . . . 155 ALA C . 19680 1 400 . 1 1 77 77 ALA CA C 13 55.25 0.2 . 1 . . . . 155 ALA CA . 19680 1 401 . 1 1 77 77 ALA CB C 13 18.6 0.2 . 1 . . . . 155 ALA CB . 19680 1 402 . 1 1 77 77 ALA N N 15 121.54 0.2 . 1 . . . . 155 ALA N . 19680 1 403 . 1 1 78 78 ARG H H 1 8.17 0.02 . 1 . . . . 156 ARG HN . 19680 1 404 . 1 1 78 78 ARG HA H 1 3.84 0.02 . 1 . . . . 156 ARG HA . 19680 1 405 . 1 1 78 78 ARG C C 13 177.49 0.2 . 1 . . . . 156 ARG C . 19680 1 406 . 1 1 78 78 ARG CA C 13 60.85 0.2 . 1 . . . . 156 ARG CA . 19680 1 407 . 1 1 78 78 ARG CB C 13 29.57 0.2 . 1 . . . . 156 ARG CB . 19680 1 408 . 1 1 78 78 ARG N N 15 117.75 0.2 . 1 . . . . 156 ARG N . 19680 1 409 . 1 1 79 79 ALA H H 1 7.63 0.02 . 1 . . . . 157 ALA HN . 19680 1 410 . 1 1 79 79 ALA HA H 1 4.07 0.02 . 1 . . . . 157 ALA HA . 19680 1 411 . 1 1 79 79 ALA C C 13 180.06 0.2 . 1 . . . . 157 ALA C . 19680 1 412 . 1 1 79 79 ALA CA C 13 55.0 0.2 . 1 . . . . 157 ALA CA . 19680 1 413 . 1 1 79 79 ALA CB C 13 18.5 0.2 . 1 . . . . 157 ALA CB . 19680 1 414 . 1 1 79 79 ALA N N 15 119.59 0.2 . 1 . . . . 157 ALA N . 19680 1 415 . 1 1 80 80 GLU H H 1 8.24 0.02 . 1 . . . . 158 GLU HN . 19680 1 416 . 1 1 80 80 GLU HA H 1 3.84 0.02 . 1 . . . . 158 GLU HA . 19680 1 417 . 1 1 80 80 GLU C C 13 178.41 0.2 . 1 . . . . 158 GLU C . 19680 1 418 . 1 1 80 80 GLU CA C 13 58.53 0.2 . 1 . . . . 158 GLU CA . 19680 1 419 . 1 1 80 80 GLU CB C 13 30.03 0.2 . 1 . . . . 158 GLU CB . 19680 1 420 . 1 1 80 80 GLU N N 15 116.38 0.2 . 1 . . . . 158 GLU N . 19680 1 421 . 1 1 81 81 PHE H H 1 7.91 0.02 . 1 . . . . 159 PHE HN . 19680 1 422 . 1 1 81 81 PHE HA H 1 4.9 0.02 . 1 . . . . 159 PHE HA . 19680 1 423 . 1 1 81 81 PHE C C 13 177.92 0.2 . 1 . . . . 159 PHE C . 19680 1 424 . 1 1 81 81 PHE CA C 13 57.36 0.2 . 1 . . . . 159 PHE CA . 19680 1 425 . 1 1 81 81 PHE CB C 13 41.44 0.2 . 1 . . . . 159 PHE CB . 19680 1 426 . 1 1 81 81 PHE N N 15 111.15 0.2 . 1 . . . . 159 PHE N . 19680 1 427 . 1 1 82 82 ASN H H 1 8.5 0.02 . 1 . . . . 160 ASN HN . 19680 1 428 . 1 1 82 82 ASN HA H 1 4.52 0.02 . 1 . . . . 160 ASN HA . 19680 1 429 . 1 1 82 82 ASN C C 13 176.41 0.2 . 1 . . . . 160 ASN C . 19680 1 430 . 1 1 82 82 ASN CA C 13 57.34 0.2 . 1 . . . . 160 ASN CA . 19680 1 431 . 1 1 82 82 ASN CB C 13 39.02 0.2 . 1 . . . . 160 ASN CB . 19680 1 432 . 1 1 82 82 ASN N N 15 118.58 0.2 . 1 . . . . 160 ASN N . 19680 1 433 . 1 1 83 83 GLY H H 1 9.27 0.02 . 1 . . . . 161 GLY HN . 19680 1 434 . 1 1 83 83 GLY HA2 H 1 4.19 0.02 . 1 . . . . 161 GLY HA . 19680 1 435 . 1 1 83 83 GLY HA3 H 1 4.19 0.02 . 1 . . . . 161 GLY HA . 19680 1 436 . 1 1 83 83 GLY C C 13 174.31 0.2 . 1 . . . . 161 GLY C . 19680 1 437 . 1 1 83 83 GLY CA C 13 45.96 0.2 . 1 . . . . 161 GLY CA . 19680 1 438 . 1 1 83 83 GLY N N 15 116.65 0.2 . 1 . . . . 161 GLY N . 19680 1 439 . 1 1 84 84 THR H H 1 7.77 0.02 . 1 . . . . 162 THR HN . 19680 1 440 . 1 1 84 84 THR HA H 1 4.43 0.02 . 1 . . . . 162 THR HA . 19680 1 441 . 1 1 84 84 THR C C 13 172.54 0.2 . 1 . . . . 162 THR C . 19680 1 442 . 1 1 84 84 THR CA C 13 62.17 0.2 . 1 . . . . 162 THR CA . 19680 1 443 . 1 1 84 84 THR CB C 13 70.55 0.2 . 1 . . . . 162 THR CB . 19680 1 444 . 1 1 84 84 THR N N 15 114.45 0.2 . 1 . . . . 162 THR N . 19680 1 445 . 1 1 85 85 THR H H 1 8.34 0.02 . 1 . . . . 163 THR HN . 19680 1 446 . 1 1 85 85 THR HA H 1 5.12 0.02 . 1 . . . . 163 THR HA . 19680 1 447 . 1 1 85 85 THR C C 13 174.7 0.2 . 1 . . . . 163 THR C . 19680 1 448 . 1 1 85 85 THR CA C 13 61.92 0.2 . 1 . . . . 163 THR CA . 19680 1 449 . 1 1 85 85 THR CB C 13 69.77 0.2 . 1 . . . . 163 THR CB . 19680 1 450 . 1 1 85 85 THR N N 15 116.39 0.2 . 1 . . . . 163 THR N . 19680 1 451 . 1 1 86 86 ILE H H 1 8.97 0.02 . 1 . . . . 164 ILE HN . 19680 1 452 . 1 1 86 86 ILE HA H 1 4.2 0.02 . 1 . . . . 164 ILE HA . 19680 1 453 . 1 1 86 86 ILE C C 13 175.22 0.2 . 1 . . . . 164 ILE C . 19680 1 454 . 1 1 86 86 ILE CA C 13 60.74 0.2 . 1 . . . . 164 ILE CA . 19680 1 455 . 1 1 86 86 ILE CB C 13 40.52 0.2 . 1 . . . . 164 ILE CB . 19680 1 456 . 1 1 86 86 ILE N N 15 126.54 0.2 . 1 . . . . 164 ILE N . 19680 1 457 . 1 1 87 87 GLU H H 1 9.39 0.02 . 1 . . . . 165 GLU HN . 19680 1 458 . 1 1 87 87 GLU HA H 1 3.83 0.02 . 1 . . . . 165 GLU HA . 19680 1 459 . 1 1 87 87 GLU C C 13 176.66 0.2 . 1 . . . . 165 GLU C . 19680 1 460 . 1 1 87 87 GLU CA C 13 57.08 0.2 . 1 . . . . 165 GLU CA . 19680 1 461 . 1 1 87 87 GLU CB C 13 27.55 0.2 . 1 . . . . 165 GLU CB . 19680 1 462 . 1 1 87 87 GLU N N 15 125.78 0.2 . 1 . . . . 165 GLU N . 19680 1 463 . 1 1 88 88 GLY H H 1 8.32 0.02 . 1 . . . . 166 GLY HN . 19680 1 464 . 1 1 88 88 GLY HA2 H 1 3.5 0.02 . 1 . . . . 166 GLY HA . 19680 1 465 . 1 1 88 88 GLY HA3 H 1 3.5 0.02 . 1 . . . . 166 GLY HA . 19680 1 466 . 1 1 88 88 GLY C C 13 173.86 0.2 . 1 . . . . 166 GLY C . 19680 1 467 . 1 1 88 88 GLY CA C 13 45.56 0.2 . 1 . . . . 166 GLY CA . 19680 1 468 . 1 1 88 88 GLY N N 15 102.39 0.2 . 1 . . . . 166 GLY N . 19680 1 469 . 1 1 89 89 ARG H H 1 7.91 0.02 . 1 . . . . 167 ARG HN . 19680 1 470 . 1 1 89 89 ARG HA H 1 4.53 0.02 . 1 . . . . 167 ARG HA . 19680 1 471 . 1 1 89 89 ARG C C 13 174.16 0.2 . 1 . . . . 167 ARG C . 19680 1 472 . 1 1 89 89 ARG CA C 13 54.82 0.2 . 1 . . . . 167 ARG CA . 19680 1 473 . 1 1 89 89 ARG CB C 13 32.26 0.2 . 1 . . . . 167 ARG CB . 19680 1 474 . 1 1 89 89 ARG N N 15 120.84 0.2 . 1 . . . . 167 ARG N . 19680 1 475 . 1 1 90 90 ARG H H 1 8.55 0.02 . 1 . . . . 168 ARG HN . 19680 1 476 . 1 1 90 90 ARG HA H 1 4.54 0.02 . 1 . . . . 168 ARG HA . 19680 1 477 . 1 1 90 90 ARG C C 13 175.83 0.2 . 1 . . . . 168 ARG C . 19680 1 478 . 1 1 90 90 ARG CA C 13 55.99 0.2 . 1 . . . . 168 ARG CA . 19680 1 479 . 1 1 90 90 ARG CB C 13 30.04 0.2 . 1 . . . . 168 ARG CB . 19680 1 480 . 1 1 90 90 ARG N N 15 123.28 0.2 . 1 . . . . 168 ARG N . 19680 1 481 . 1 1 91 91 VAL H H 1 8.99 0.02 . 1 . . . . 169 VAL HN . 19680 1 482 . 1 1 91 91 VAL HA H 1 4.42 0.02 . 1 . . . . 169 VAL HA . 19680 1 483 . 1 1 91 91 VAL C C 13 175.13 0.2 . 1 . . . . 169 VAL C . 19680 1 484 . 1 1 91 91 VAL CA C 13 61.96 0.2 . 1 . . . . 169 VAL CA . 19680 1 485 . 1 1 91 91 VAL CB C 13 33.25 0.2 . 1 . . . . 169 VAL CB . 19680 1 486 . 1 1 91 91 VAL N N 15 129.1 0.2 . 1 . . . . 169 VAL N . 19680 1 487 . 1 1 92 92 GLU H H 1 8.03 0.02 . 1 . . . . 170 GLU HN . 19680 1 488 . 1 1 92 92 GLU HA H 1 5 0.02 . 1 . . . . 170 GLU HA . 19680 1 489 . 1 1 92 92 GLU C C 13 175.71 0.2 . 1 . . . . 170 GLU C . 19680 1 490 . 1 1 92 92 GLU CA C 13 54.59 0.2 . 1 . . . . 170 GLU CA . 19680 1 491 . 1 1 92 92 GLU CB C 13 32.15 0.2 . 1 . . . . 170 GLU CB . 19680 1 492 . 1 1 92 92 GLU N N 15 123.43 0.2 . 1 . . . . 170 GLU N . 19680 1 493 . 1 1 93 93 VAL H H 1 9.03 0.02 . 1 . . . . 171 VAL HN . 19680 1 494 . 1 1 93 93 VAL HA H 1 5.11 0.02 . 1 . . . . 171 VAL HA . 19680 1 495 . 1 1 93 93 VAL C C 13 173.65 0.2 . 1 . . . . 171 VAL C . 19680 1 496 . 1 1 93 93 VAL CA C 13 61.28 0.2 . 1 . . . . 171 VAL CA . 19680 1 497 . 1 1 93 93 VAL CB C 13 34.98 0.2 . 1 . . . . 171 VAL CB . 19680 1 498 . 1 1 93 93 VAL N N 15 123.31 0.2 . 1 . . . . 171 VAL N . 19680 1 499 . 1 1 94 94 ASN H H 1 8.99 0.02 . 1 . . . . 172 ASN HN . 19680 1 500 . 1 1 94 94 ASN HA H 1 5.12 0.02 . 1 . . . . 172 ASN HA . 19680 1 501 . 1 1 94 94 ASN C C 13 174.55 0.2 . 1 . . . . 172 ASN C . 19680 1 502 . 1 1 94 94 ASN CA C 13 51.83 0.2 . 1 . . . . 172 ASN CA . 19680 1 503 . 1 1 94 94 ASN CB C 13 43.64 0.2 . 1 . . . . 172 ASN CB . 19680 1 504 . 1 1 94 94 ASN N N 15 123.36 0.2 . 1 . . . . 172 ASN N . 19680 1 505 . 1 1 95 95 LEU H H 1 9.12 0.02 . 1 . . . . 173 LEU HN . 19680 1 506 . 1 1 95 95 LEU HA H 1 4.53 0.02 . 1 . . . . 173 LEU HA . 19680 1 507 . 1 1 95 95 LEU C C 13 177.16 0.2 . 1 . . . . 173 LEU C . 19680 1 508 . 1 1 95 95 LEU CA C 13 56.36 0.2 . 1 . . . . 173 LEU CA . 19680 1 509 . 1 1 95 95 LEU CB C 13 42.24 0.2 . 1 . . . . 173 LEU CB . 19680 1 510 . 1 1 95 95 LEU N N 15 122.41 0.2 . 1 . . . . 173 LEU N . 19680 1 511 . 1 1 96 96 ALA H H 1 8.75 0.02 . 1 . . . . 174 ALA HN . 19680 1 512 . 1 1 96 96 ALA HA H 1 4.54 0.02 . 1 . . . . 174 ALA HA . 19680 1 513 . 1 1 96 96 ALA C C 13 177.2 0.2 . 1 . . . . 174 ALA C . 19680 1 514 . 1 1 96 96 ALA CA C 13 52.36 0.2 . 1 . . . . 174 ALA CA . 19680 1 515 . 1 1 96 96 ALA CB C 13 19.83 0.2 . 1 . . . . 174 ALA CB . 19680 1 516 . 1 1 96 96 ALA N N 15 126.41 0.2 . 1 . . . . 174 ALA N . 19680 1 517 . 1 1 97 97 THR H H 1 8.26 0.02 . 1 . . . . 175 THR HN . 19680 1 518 . 1 1 97 97 THR HA H 1 4.32 0.02 . 1 . . . . 175 THR HA . 19680 1 519 . 1 1 97 97 THR C C 13 174.4 0.2 . 1 . . . . 175 THR C . 19680 1 520 . 1 1 97 97 THR CA C 13 62.21 0.2 . 1 . . . . 175 THR CA . 19680 1 521 . 1 1 97 97 THR CB C 13 69.82 0.2 . 1 . . . . 175 THR CB . 19680 1 522 . 1 1 97 97 THR N N 15 113.64 0.2 . 1 . . . . 175 THR N . 19680 1 523 . 1 1 98 98 GLN H H 1 8.42 0.02 . 1 . . . . 176 GLN HN . 19680 1 524 . 1 1 98 98 GLN HA H 1 4.33 0.02 . 1 . . . . 176 GLN HA . 19680 1 525 . 1 1 98 98 GLN C C 13 174.89 0.2 . 1 . . . . 176 GLN C . 19680 1 526 . 1 1 98 98 GLN CA C 13 56.22 0.2 . 1 . . . . 176 GLN CA . 19680 1 527 . 1 1 98 98 GLN CB C 13 29.86 0.2 . 1 . . . . 176 GLN CB . 19680 1 528 . 1 1 98 98 GLN N N 15 122.85 0.2 . 1 . . . . 176 GLN N . 19680 1 529 . 1 1 99 99 ARG H H 1 8.03 0.02 . 1 . . . . 177 ARG HN . 19680 1 530 . 1 1 99 99 ARG HA H 1 4.1 0.02 . 1 . . . . 177 ARG HA . 19680 1 531 . 1 1 99 99 ARG C C 13 180.93 0.2 . 1 . . . . 177 ARG C . 19680 1 532 . 1 1 99 99 ARG CA C 13 57.76 0.2 . 1 . . . . 177 ARG CA . 19680 1 533 . 1 1 99 99 ARG CB C 13 31.61 0.2 . 1 . . . . 177 ARG CB . 19680 1 534 . 1 1 99 99 ARG N N 15 127.75 0.2 . 1 . . . . 177 ARG N . 19680 1 stop_ save_