################################### # 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 19540 _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 3 '3D CBCA(CO)NH' . . . 19540 1 4 '3D HNCACB' . . . 19540 1 5 '3D HNCO' . . . 19540 1 6 '3D HN(CA)CO' . . . 19540 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 12 12 LEU H H 1 8.184 . . 1 . . . A 799 LEU H . 19540 1 2 . 1 1 12 12 LEU CA C 13 54.815 . . 1 . . . A 799 LEU CA . 19540 1 3 . 1 1 12 12 LEU CB C 13 42.525 . . 1 . . . A 799 LEU CB . 19540 1 4 . 1 1 12 12 LEU N N 15 124.209 . . 1 . . . A 799 LEU N . 19540 1 5 . 1 1 13 13 LEU H H 1 8.284 . . 1 . . . A 800 LEU H . 19540 1 6 . 1 1 13 13 LEU CA C 13 55.522 . . 1 . . . A 800 LEU CA . 19540 1 7 . 1 1 13 13 LEU CB C 13 41.945 . . 1 . . . A 800 LEU CB . 19540 1 8 . 1 1 13 13 LEU N N 15 122.909 . . 1 . . . A 800 LEU N . 19540 1 9 . 1 1 14 14 THR H H 1 7.916 . . 1 . . . A 801 THR H . 19540 1 10 . 1 1 14 14 THR CA C 13 59.411 . . 1 . . . A 801 THR CA . 19540 1 11 . 1 1 14 14 THR CB C 13 71.888 . . 1 . . . A 801 THR CB . 19540 1 12 . 1 1 14 14 THR N N 15 112.617 . . 1 . . . A 801 THR N . 19540 1 13 . 1 1 15 15 CYS H H 1 8.515 . . 1 . . . A 802 CYS H . 19540 1 14 . 1 1 15 15 CYS CA C 13 57.598 . . 1 . . . A 802 CYS CA . 19540 1 15 . 1 1 15 15 CYS CB C 13 29.644 . . 1 . . . A 802 CYS CB . 19540 1 16 . 1 1 15 15 CYS N N 15 125.623 . . 1 . . . A 802 CYS N . 19540 1 17 . 1 1 16 16 PRO CA C 13 63.412 . . 1 . . . A 803 PRO CA . 19540 1 18 . 1 1 16 16 PRO CB C 13 32.274 . . 1 . . . A 803 PRO CB . 19540 1 19 . 1 1 17 17 THR H H 1 9.774 . . 1 . . . A 804 THR H . 19540 1 20 . 1 1 17 17 THR CA C 13 61.828 . . 1 . . . A 804 THR CA . 19540 1 21 . 1 1 17 17 THR CB C 13 67.788 . . 1 . . . A 804 THR CB . 19540 1 22 . 1 1 17 17 THR N N 15 129.174 . . 1 . . . A 804 THR N . 19540 1 23 . 1 1 18 18 PRO CA C 13 64.154 . . 1 . . . A 805 PRO CA . 19540 1 24 . 1 1 18 18 PRO CB C 13 31.641 . . 1 . . . A 805 PRO CB . 19540 1 25 . 1 1 19 19 GLY H H 1 8.777 . . 1 . . . A 806 GLY H . 19540 1 26 . 1 1 19 19 GLY CA C 13 45.342 . . 1 . . . A 806 GLY CA . 19540 1 27 . 1 1 19 19 GLY N N 15 112.562 . . 1 . . . A 806 GLY N . 19540 1 28 . 1 1 20 20 CYS H H 1 7.863 . . 1 . . . A 807 CYS H . 19540 1 29 . 1 1 20 20 CYS CA C 13 59.687 . . 1 . . . A 807 CYS CA . 19540 1 30 . 1 1 20 20 CYS CB C 13 31.447 . . 1 . . . A 807 CYS CB . 19540 1 31 . 1 1 20 20 CYS N N 15 123.196 . . 1 . . . A 807 CYS N . 19540 1 32 . 1 1 21 21 ASP H H 1 8.412 . . 1 . . . A 808 ASP H . 19540 1 33 . 1 1 21 21 ASP CA C 13 53.266 . . 1 . . . A 808 ASP CA . 19540 1 34 . 1 1 21 21 ASP CB C 13 40.743 . . 1 . . . A 808 ASP CB . 19540 1 35 . 1 1 21 21 ASP N N 15 129.423 . . 1 . . . A 808 ASP N . 19540 1 36 . 1 1 22 22 GLY H H 1 10.012 . . 1 . . . A 809 GLY H . 19540 1 37 . 1 1 22 22 GLY CA C 13 44.862 . . 1 . . . A 809 GLY CA . 19540 1 38 . 1 1 22 22 GLY N N 15 115.508 . . 1 . . . A 809 GLY N . 19540 1 39 . 1 1 23 23 SER H H 1 8.212 . . 1 . . . A 810 SER H . 19540 1 40 . 1 1 23 23 SER CA C 13 59.834 . . 1 . . . A 810 SER CA . 19540 1 41 . 1 1 23 23 SER CB C 13 64.722 . . 1 . . . A 810 SER CB . 19540 1 42 . 1 1 23 23 SER N N 15 115.696 . . 1 . . . A 810 SER N . 19540 1 43 . 1 1 24 24 GLY H H 1 7.973 . . 1 . . . A 811 GLY H . 19540 1 44 . 1 1 24 24 GLY CA C 13 44.882 . . 1 . . . A 811 GLY CA . 19540 1 45 . 1 1 24 24 GLY N N 15 108.285 . . 1 . . . A 811 GLY N . 19540 1 46 . 1 1 25 25 HIS H H 1 8.517 . . 1 . . . A 812 HIS H . 19540 1 47 . 1 1 25 25 HIS CA C 13 59.200 . . 1 . . . A 812 HIS CA . 19540 1 48 . 1 1 25 25 HIS CB C 13 36.415 . . 1 . . . A 812 HIS CB . 19540 1 49 . 1 1 25 25 HIS N N 15 116.608 . . 1 . . . A 812 HIS N . 19540 1 50 . 1 1 26 26 ILE H H 1 8.029 . . 1 . . . A 813 ILE H . 19540 1 51 . 1 1 26 26 ILE CA C 13 63.829 . . 1 . . . A 813 ILE CA . 19540 1 52 . 1 1 26 26 ILE CB C 13 38.198 . . 1 . . . A 813 ILE CB . 19540 1 53 . 1 1 26 26 ILE N N 15 131.617 . . 1 . . . A 813 ILE N . 19540 1 54 . 1 1 27 27 THR H H 1 9.480 . . 1 . . . A 814 THR H . 19540 1 55 . 1 1 27 27 THR CA C 13 63.630 . . 1 . . . A 814 THR CA . 19540 1 56 . 1 1 27 27 THR CB C 13 72.617 . . 1 . . . A 814 THR CB . 19540 1 57 . 1 1 27 27 THR N N 15 113.984 . . 1 . . . A 814 THR N . 19540 1 58 . 1 1 28 28 GLY H H 1 8.070 . . 1 . . . A 815 GLY H . 19540 1 59 . 1 1 28 28 GLY CA C 13 45.693 . . 1 . . . A 815 GLY CA . 19540 1 60 . 1 1 28 28 GLY N N 15 106.672 . . 1 . . . A 815 GLY N . 19540 1 61 . 1 1 29 29 ASN H H 1 8.034 . . 1 . . . A 816 ASN H . 19540 1 62 . 1 1 29 29 ASN CA C 13 53.481 . . 1 . . . A 816 ASN CA . 19540 1 63 . 1 1 29 29 ASN CB C 13 39.091 . . 1 . . . A 816 ASN CB . 19540 1 64 . 1 1 29 29 ASN N N 15 115.952 . . 1 . . . A 816 ASN N . 19540 1 65 . 1 1 30 30 TYR H H 1 6.480 . . 1 . . . A 817 TYR H . 19540 1 66 . 1 1 30 30 TYR CA C 13 56.361 . . 1 . . . A 817 TYR CA . 19540 1 67 . 1 1 30 30 TYR CB C 13 41.522 . . 1 . . . A 817 TYR CB . 19540 1 68 . 1 1 30 30 TYR N N 15 113.870 . . 1 . . . A 817 TYR N . 19540 1 69 . 1 1 31 31 ALA CA C 13 53.406 . . 1 . . . A 818 ALA CA . 19540 1 70 . 1 1 31 31 ALA CB C 13 20.074 . . 1 . . . A 818 ALA CB . 19540 1 71 . 1 1 32 32 SER H H 1 8.102 . . 1 . . . A 819 SER H . 19540 1 72 . 1 1 32 32 SER CA C 13 58.033 . . 1 . . . A 819 SER CA . 19540 1 73 . 1 1 32 32 SER CB C 13 66.571 . . 1 . . . A 819 SER CB . 19540 1 74 . 1 1 32 32 SER N N 15 115.473 . . 1 . . . A 819 SER N . 19540 1 75 . 1 1 33 33 HIS H H 1 8.712 . . 1 . . . A 820 HIS H . 19540 1 76 . 1 1 33 33 HIS CA C 13 55.787 . . 1 . . . A 820 HIS CA . 19540 1 77 . 1 1 33 33 HIS CB C 13 32.236 . . 1 . . . A 820 HIS CB . 19540 1 78 . 1 1 33 33 HIS N N 15 110.346 . . 1 . . . A 820 HIS N . 19540 1 79 . 1 1 34 34 ARG CA C 13 54.315 . . 1 . . . A 821 ARG CA . 19540 1 80 . 1 1 34 34 ARG CB C 13 29.700 . . 1 . . . A 821 ARG CB . 19540 1 81 . 1 1 35 35 SER H H 1 7.572 . . 1 . . . A 822 SER H . 19540 1 82 . 1 1 35 35 SER CA C 13 57.084 . . 1 . . . A 822 SER CA . 19540 1 83 . 1 1 35 35 SER CB C 13 66.534 . . 1 . . . A 822 SER CB . 19540 1 84 . 1 1 35 35 SER N N 15 112.336 . . 1 . . . A 822 SER N . 19540 1 85 . 1 1 36 36 LEU H H 1 8.951 . . 1 . . . A 823 LEU H . 19540 1 86 . 1 1 36 36 LEU CA C 13 57.465 . . 1 . . . A 823 LEU CA . 19540 1 87 . 1 1 36 36 LEU N N 15 121.821 . . 1 . . . A 823 LEU N . 19540 1 88 . 1 1 37 37 SER CA C 13 61.148 . . 1 . . . A 824 SER CA . 19540 1 89 . 1 1 37 37 SER CB C 13 62.521 . . 1 . . . A 824 SER CB . 19540 1 90 . 1 1 38 38 GLY H H 1 7.379 . . 1 . . . A 825 GLY H . 19540 1 91 . 1 1 38 38 GLY CA C 13 44.707 . . 1 . . . A 825 GLY CA . 19540 1 92 . 1 1 38 38 GLY N N 15 107.480 . . 1 . . . A 825 GLY N . 19540 1 93 . 1 1 39 39 CYS H H 1 7.278 . . 1 . . . A 826 CYS H . 19540 1 94 . 1 1 39 39 CYS CA C 13 57.619 . . 1 . . . A 826 CYS CA . 19540 1 95 . 1 1 39 39 CYS CB C 13 30.346 . . 1 . . . A 826 CYS CB . 19540 1 96 . 1 1 39 39 CYS N N 15 126.098 . . 1 . . . A 826 CYS N . 19540 1 97 . 1 1 42 42 ALA H H 1 7.153 . . 1 . . . A 829 ALA H . 19540 1 98 . 1 1 42 42 ALA CA C 13 52.777 . . 1 . . . A 829 ALA CA . 19540 1 99 . 1 1 42 42 ALA CB C 13 19.462 . . 1 . . . A 829 ALA CB . 19540 1 100 . 1 1 42 42 ALA N N 15 124.342 . . 1 . . . A 829 ALA N . 19540 1 101 . 1 1 43 43 ASP H H 1 8.376 . . 1 . . . A 830 ASP H . 19540 1 102 . 1 1 43 43 ASP CA C 13 54.533 . . 1 . . . A 830 ASP CA . 19540 1 103 . 1 1 43 43 ASP CB C 13 40.725 . . 1 . . . A 830 ASP CB . 19540 1 104 . 1 1 43 43 ASP N N 15 119.463 . . 1 . . . A 830 ASP N . 19540 1 105 . 1 1 50 50 MET H H 1 8.226 . . 1 . . . A 837 MET H . 19540 1 106 . 1 1 50 50 MET CA C 13 56.391 . . 1 . . . A 837 MET CA . 19540 1 107 . 1 1 50 50 MET CB C 13 32.439 . . 1 . . . A 837 MET CB . 19540 1 108 . 1 1 50 50 MET N N 15 120.040 . . 1 . . . A 837 MET N . 19540 1 109 . 1 1 54 54 SER CA C 13 58.593 . . 1 . . . A 841 SER CA . 19540 1 110 . 1 1 54 54 SER CB C 13 63.979 . . 1 . . . A 841 SER CB . 19540 1 111 . 1 1 55 55 ALA H H 1 8.560 . . 1 . . . A 842 ALA H . 19540 1 112 . 1 1 55 55 ALA CA C 13 52.686 . . 1 . . . A 842 ALA CA . 19540 1 113 . 1 1 55 55 ALA CB C 13 19.422 . . 1 . . . A 842 ALA CB . 19540 1 114 . 1 1 55 55 ALA N N 15 126.567 . . 1 . . . A 842 ALA N . 19540 1 115 . 1 1 56 56 ASP H H 1 8.339 . . 1 . . . A 843 ASP H . 19540 1 116 . 1 1 56 56 ASP CA C 13 54.519 . . 1 . . . A 843 ASP CA . 19540 1 117 . 1 1 56 56 ASP CB C 13 40.757 . . 1 . . . A 843 ASP CB . 19540 1 118 . 1 1 56 56 ASP N N 15 119.351 . . 1 . . . A 843 ASP N . 19540 1 119 . 1 1 57 57 LEU CA C 13 55.276 . . 1 . . . A 844 LEU CA . 19540 1 120 . 1 1 57 57 LEU CB C 13 41.761 . . 1 . . . A 844 LEU CB . 19540 1 121 . 1 1 58 58 LYS H H 1 7.887 . . 1 . . . A 845 LYS H . 19540 1 122 . 1 1 58 58 LYS CA C 13 54.424 . . 1 . . . A 845 LYS CA . 19540 1 123 . 1 1 58 58 LYS CB C 13 35.165 . . 1 . . . A 845 LYS CB . 19540 1 124 . 1 1 58 58 LYS N N 15 120.944 . . 1 . . . A 845 LYS N . 19540 1 125 . 1 1 59 59 CYS H H 1 8.590 . . 1 . . . A 846 CYS H . 19540 1 126 . 1 1 59 59 CYS N N 15 125.004 . . 1 . . . A 846 CYS N . 19540 1 127 . 1 1 60 60 PRO CA C 13 63.412 . . 1 . . . A 847 PRO CA . 19540 1 128 . 1 1 60 60 PRO CB C 13 32.274 . . 1 . . . A 847 PRO CB . 19540 1 129 . 1 1 61 61 THR H H 1 9.774 . . 1 . . . A 848 THR H . 19540 1 130 . 1 1 61 61 THR CA C 13 61.828 . . 1 . . . A 848 THR CA . 19540 1 131 . 1 1 61 61 THR CB C 13 67.788 . . 1 . . . A 848 THR CB . 19540 1 132 . 1 1 61 61 THR N N 15 129.174 . . 1 . . . A 848 THR N . 19540 1 133 . 1 1 62 62 PRO CA C 13 64.140 . . 1 . . . A 849 PRO CA . 19540 1 134 . 1 1 62 62 PRO CB C 13 31.672 . . 1 . . . A 849 PRO CB . 19540 1 135 . 1 1 63 63 GLY H H 1 8.797 . . 1 . . . A 850 GLY H . 19540 1 136 . 1 1 63 63 GLY CA C 13 45.480 . . 1 . . . A 850 GLY CA . 19540 1 137 . 1 1 63 63 GLY N N 15 112.595 . . 1 . . . A 850 GLY N . 19540 1 138 . 1 1 64 64 CYS H H 1 7.911 . . 1 . . . A 851 CYS H . 19540 1 139 . 1 1 64 64 CYS CA C 13 60.062 . . 1 . . . A 851 CYS CA . 19540 1 140 . 1 1 64 64 CYS CB C 13 30.929 . . 1 . . . A 851 CYS CB . 19540 1 141 . 1 1 64 64 CYS N N 15 123.279 . . 1 . . . A 851 CYS N . 19540 1 142 . 1 1 65 65 ASP H H 1 8.463 . . 1 . . . A 852 ASP H . 19540 1 143 . 1 1 65 65 ASP CA C 13 53.334 . . 1 . . . A 852 ASP CA . 19540 1 144 . 1 1 65 65 ASP CB C 13 40.673 . . 1 . . . A 852 ASP CB . 19540 1 145 . 1 1 65 65 ASP N N 15 129.716 . . 1 . . . A 852 ASP N . 19540 1 146 . 1 1 66 66 GLY H H 1 9.833 . . 1 . . . A 853 GLY H . 19540 1 147 . 1 1 66 66 GLY CA C 13 44.919 . . 1 . . . A 853 GLY CA . 19540 1 148 . 1 1 66 66 GLY N N 15 114.887 . . 1 . . . A 853 GLY N . 19540 1 149 . 1 1 67 67 SER H H 1 8.321 . . 1 . . . A 854 SER H . 19540 1 150 . 1 1 67 67 SER CA C 13 59.689 . . 1 . . . A 854 SER CA . 19540 1 151 . 1 1 67 67 SER CB C 13 64.858 . . 1 . . . A 854 SER CB . 19540 1 152 . 1 1 67 67 SER N N 15 115.725 . . 1 . . . A 854 SER N . 19540 1 153 . 1 1 68 68 GLY H H 1 8.062 . . 1 . . . A 855 GLY H . 19540 1 154 . 1 1 68 68 GLY CA C 13 44.839 . . 1 . . . A 855 GLY CA . 19540 1 155 . 1 1 68 68 GLY N N 15 108.446 . . 1 . . . A 855 GLY N . 19540 1 156 . 1 1 69 69 HIS H H 1 8.518 . . 1 . . . A 856 HIS H . 19540 1 157 . 1 1 69 69 HIS CA C 13 59.242 . . 1 . . . A 856 HIS CA . 19540 1 158 . 1 1 69 69 HIS CB C 13 36.379 . . 1 . . . A 856 HIS CB . 19540 1 159 . 1 1 69 69 HIS N N 15 116.620 . . 1 . . . A 856 HIS N . 19540 1 160 . 1 1 70 70 ILE H H 1 8.024 . . 1 . . . A 857 ILE H . 19540 1 161 . 1 1 70 70 ILE CA C 13 63.951 . . 1 . . . A 857 ILE CA . 19540 1 162 . 1 1 70 70 ILE CB C 13 38.221 . . 1 . . . A 857 ILE CB . 19540 1 163 . 1 1 70 70 ILE N N 15 131.717 . . 1 . . . A 857 ILE N . 19540 1 164 . 1 1 71 71 THR H H 1 9.509 . . 1 . . . A 858 THR H . 19540 1 165 . 1 1 71 71 THR CA C 13 63.636 . . 1 . . . A 858 THR CA . 19540 1 166 . 1 1 71 71 THR CB C 13 72.659 . . 1 . . . A 858 THR CB . 19540 1 167 . 1 1 71 71 THR N N 15 114.038 . . 1 . . . A 858 THR N . 19540 1 168 . 1 1 72 72 GLY H H 1 8.126 . . 1 . . . A 859 GLY H . 19540 1 169 . 1 1 72 72 GLY CA C 13 45.724 . . 1 . . . A 859 GLY CA . 19540 1 170 . 1 1 72 72 GLY N N 15 106.708 . . 1 . . . A 859 GLY N . 19540 1 171 . 1 1 73 73 ASN H H 1 8.033 . . 1 . . . A 860 ASN H . 19540 1 172 . 1 1 73 73 ASN CA C 13 53.481 . . 1 . . . A 860 ASN CA . 19540 1 173 . 1 1 73 73 ASN CB C 13 39.091 . . 1 . . . A 860 ASN CB . 19540 1 174 . 1 1 73 73 ASN N N 15 115.956 . . 1 . . . A 860 ASN N . 19540 1 175 . 1 1 74 74 TYR H H 1 6.493 . . 1 . . . A 861 TYR H . 19540 1 176 . 1 1 74 74 TYR CA C 13 56.361 . . 1 . . . A 861 TYR CA . 19540 1 177 . 1 1 74 74 TYR CB C 13 41.490 . . 1 . . . A 861 TYR CB . 19540 1 178 . 1 1 74 74 TYR N N 15 113.870 . . 1 . . . A 861 TYR N . 19540 1 179 . 1 1 75 75 ALA CA C 13 53.393 . . 1 . . . A 862 ALA CA . 19540 1 180 . 1 1 75 75 ALA CB C 13 20.058 . . 1 . . . A 862 ALA CB . 19540 1 181 . 1 1 76 76 SER H H 1 8.115 . . 1 . . . A 863 SER H . 19540 1 182 . 1 1 76 76 SER CA C 13 58.051 . . 1 . . . A 863 SER CA . 19540 1 183 . 1 1 76 76 SER CB C 13 66.561 . . 1 . . . A 863 SER CB . 19540 1 184 . 1 1 76 76 SER N N 15 115.433 . . 1 . . . A 863 SER N . 19540 1 185 . 1 1 77 77 HIS H H 1 8.915 . . 1 . . . A 864 HIS H . 19540 1 186 . 1 1 77 77 HIS CA C 13 55.840 . . 1 . . . A 864 HIS CA . 19540 1 187 . 1 1 77 77 HIS CB C 13 32.396 . . 1 . . . A 864 HIS CB . 19540 1 188 . 1 1 77 77 HIS N N 15 110.288 . . 1 . . . A 864 HIS N . 19540 1 189 . 1 1 78 78 ARG CA C 13 54.306 . . 1 . . . A 865 ARG CA . 19540 1 190 . 1 1 78 78 ARG CB C 13 29.695 . . 1 . . . A 865 ARG CB . 19540 1 191 . 1 1 79 79 SER H H 1 7.555 . . 1 . . . A 866 SER H . 19540 1 192 . 1 1 79 79 SER CA C 13 57.082 . . 1 . . . A 866 SER CA . 19540 1 193 . 1 1 79 79 SER CB C 13 66.513 . . 1 . . . A 866 SER CB . 19540 1 194 . 1 1 79 79 SER N N 15 112.021 . . 1 . . . A 866 SER N . 19540 1 195 . 1 1 80 80 LEU H H 1 9.026 . . 1 . . . A 867 LEU H . 19540 1 196 . 1 1 80 80 LEU CA C 13 57.354 . . 1 . . . A 867 LEU CA . 19540 1 197 . 1 1 80 80 LEU CB C 13 41.962 . . 1 . . . A 867 LEU CB . 19540 1 198 . 1 1 80 80 LEU N N 15 122.191 . . 1 . . . A 867 LEU N . 19540 1 199 . 1 1 81 81 SER CA C 13 61.148 . . 1 . . . A 868 SER CA . 19540 1 200 . 1 1 81 81 SER CB C 13 62.521 . . 1 . . . A 868 SER CB . 19540 1 201 . 1 1 82 82 GLY H H 1 7.379 . . 1 . . . A 869 GLY H . 19540 1 202 . 1 1 82 82 GLY CA C 13 44.688 . . 1 . . . A 869 GLY CA . 19540 1 203 . 1 1 82 82 GLY N N 15 107.483 . . 1 . . . A 869 GLY N . 19540 1 204 . 1 1 83 83 CYS H H 1 7.364 . . 1 . . . A 870 CYS H . 19540 1 205 . 1 1 83 83 CYS CA C 13 57.603 . . 1 . . . A 870 CYS CA . 19540 1 206 . 1 1 83 83 CYS CB C 13 30.574 . . 1 . . . A 870 CYS CB . 19540 1 207 . 1 1 83 83 CYS N N 15 126.309 . . 1 . . . A 870 CYS N . 19540 1 208 . 1 1 84 84 PRO CA C 13 63.695 . . 1 . . . A 871 PRO CA . 19540 1 209 . 1 1 84 84 PRO CB C 13 32.317 . . 1 . . . A 871 PRO CB . 19540 1 210 . 1 1 85 85 ARG H H 1 8.809 . . 1 . . . A 872 ARG H . 19540 1 211 . 1 1 85 85 ARG CA C 13 55.541 . . 1 . . . A 872 ARG CA . 19540 1 212 . 1 1 85 85 ARG CB C 13 30.471 . . 1 . . . A 872 ARG CB . 19540 1 213 . 1 1 85 85 ARG N N 15 122.223 . . 1 . . . A 872 ARG N . 19540 1 214 . 1 1 86 86 ALA H H 1 7.290 . . 1 . . . A 873 ALA H . 19540 1 215 . 1 1 86 86 ALA CA C 13 52.919 . . 1 . . . A 873 ALA CA . 19540 1 216 . 1 1 86 86 ALA CB C 13 19.631 . . 1 . . . A 873 ALA CB . 19540 1 217 . 1 1 86 86 ALA N N 15 124.469 . . 1 . . . A 873 ALA N . 19540 1 stop_ save_