################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53185 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name X409_MUC5AcTn _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D HNCO' . . . 53185 1 5 '3D HN(CA)CO' . . . 53185 1 6 '3D HNCACB' . . . 53185 1 7 '3D 1H-15N NOESY' . . . 53185 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 2 $software_2 . . 53185 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 5 5 ALA H H 1 8.158 0.020 . 1 . . . . . 799 ALA H . 53185 1 2 . 1 . 1 5 5 ALA C C 13 177.375 0.3 . 1 . . . . . 799 ALA C . 53185 1 3 . 1 . 1 5 5 ALA CA C 13 51.938 0.3 . 1 . . . . . 799 ALA CA . 53185 1 4 . 1 . 1 5 5 ALA CB C 13 19.385 0.3 . 1 . . . . . 799 ALA CB . 53185 1 5 . 1 . 1 5 5 ALA N N 15 123.684 0.3 . 1 . . . . . 799 ALA N . 53185 1 6 . 1 . 1 6 6 LEU H H 1 8.256 0.020 . 1 . . . . . 800 LEU H . 53185 1 7 . 1 . 1 6 6 LEU C C 13 174.693 0.3 . 1 . . . . . 800 LEU C . 53185 1 8 . 1 . 1 6 6 LEU CA C 13 52.791 0.3 . 1 . . . . . 800 LEU CA . 53185 1 9 . 1 . 1 6 6 LEU CB C 13 41.659 0.3 . 1 . . . . . 800 LEU CB . 53185 1 10 . 1 . 1 6 6 LEU N N 15 123.716 0.3 . 1 . . . . . 800 LEU N . 53185 1 11 . 1 . 1 8 8 ALA H H 1 8.678 0.020 . 1 . . . . . 802 ALA H . 53185 1 12 . 1 . 1 8 8 ALA C C 13 178.872 0.3 . 1 . . . . . 802 ALA C . 53185 1 13 . 1 . 1 8 8 ALA CA C 13 52.542 0.3 . 1 . . . . . 802 ALA CA . 53185 1 14 . 1 . 1 8 8 ALA CB C 13 18.777 0.3 . 1 . . . . . 802 ALA CB . 53185 1 15 . 1 . 1 8 8 ALA N N 15 125.075 0.3 . 1 . . . . . 802 ALA N . 53185 1 16 . 1 . 1 9 9 LYS H H 1 9.439 0.020 . 1 . . . . . 803 LYS H . 53185 1 17 . 1 . 1 9 9 LYS C C 13 177.364 0.3 . 1 . . . . . 803 LYS C . 53185 1 18 . 1 . 1 9 9 LYS CA C 13 56.510 0.3 . 1 . . . . . 803 LYS CA . 53185 1 19 . 1 . 1 9 9 LYS CB C 13 32.825 0.3 . 1 . . . . . 803 LYS CB . 53185 1 20 . 1 . 1 9 9 LYS N N 15 123.282 0.3 . 1 . . . . . 803 LYS N . 53185 1 21 . 1 . 1 10 10 GLU H H 1 8.547 0.020 . 1 . . . . . 804 GLU H . 53185 1 22 . 1 . 1 10 10 GLU C C 13 175.442 0.3 . 1 . . . . . 804 GLU C . 53185 1 23 . 1 . 1 10 10 GLU CA C 13 59.454 0.3 . 1 . . . . . 804 GLU CA . 53185 1 24 . 1 . 1 10 10 GLU CB C 13 29.732 0.3 . 1 . . . . . 804 GLU CB . 53185 1 25 . 1 . 1 10 10 GLU N N 15 116.280 0.3 . 1 . . . . . 804 GLU N . 53185 1 26 . 1 . 1 11 11 ASN H H 1 7.929 0.020 . 1 . . . . . 805 ASN H . 53185 1 27 . 1 . 1 11 11 ASN C C 13 173.365 0.3 . 1 . . . . . 805 ASN C . 53185 1 28 . 1 . 1 11 11 ASN CA C 13 51.153 0.3 . 1 . . . . . 805 ASN CA . 53185 1 29 . 1 . 1 11 11 ASN CB C 13 38.015 0.3 . 1 . . . . . 805 ASN CB . 53185 1 30 . 1 . 1 11 11 ASN N N 15 112.614 0.3 . 1 . . . . . 805 ASN N . 53185 1 31 . 1 . 1 12 12 GLU H H 1 7.664 0.020 . 1 . . . . . 806 GLU H . 53185 1 32 . 1 . 1 12 12 GLU C C 13 172.669 0.3 . 1 . . . . . 806 GLU C . 53185 1 33 . 1 . 1 12 12 GLU CA C 13 54.508 0.3 . 1 . . . . . 806 GLU CA . 53185 1 34 . 1 . 1 12 12 GLU CB C 13 33.834 0.3 . 1 . . . . . 806 GLU CB . 53185 1 35 . 1 . 1 12 12 GLU N N 15 119.029 0.3 . 1 . . . . . 806 GLU N . 53185 1 36 . 1 . 1 13 13 GLY H H 1 8.689 0.020 . 1 . . . . . 807 GLY H . 53185 1 37 . 1 . 1 13 13 GLY C C 13 171.064 0.3 . 1 . . . . . 807 GLY C . 53185 1 38 . 1 . 1 13 13 GLY CA C 13 44.622 0.3 . 1 . . . . . 807 GLY CA . 53185 1 39 . 1 . 1 13 13 GLY N N 15 107.336 0.3 . 1 . . . . . 807 GLY N . 53185 1 40 . 1 . 1 14 14 CYS H H 1 8.105 0.020 . 1 . . . . . 808 CYS H . 53185 1 41 . 1 . 1 14 14 CYS C C 13 173.769 0.3 . 1 . . . . . 808 CYS C . 53185 1 42 . 1 . 1 14 14 CYS CA C 13 55.081 0.3 . 1 . . . . . 808 CYS CA . 53185 1 43 . 1 . 1 14 14 CYS CB C 13 49.467 0.3 . 1 . . . . . 808 CYS CB . 53185 1 44 . 1 . 1 14 14 CYS N N 15 119.204 0.3 . 1 . . . . . 808 CYS N . 53185 1 45 . 1 . 1 15 15 ILE H H 1 9.023 0.020 . 1 . . . . . 809 ILE H . 53185 1 46 . 1 . 1 15 15 ILE C C 13 174.401 0.3 . 1 . . . . . 809 ILE C . 53185 1 47 . 1 . 1 15 15 ILE CA C 13 59.761 0.3 . 1 . . . . . 809 ILE CA . 53185 1 48 . 1 . 1 15 15 ILE CB C 13 40.747 0.3 . 1 . . . . . 809 ILE CB . 53185 1 49 . 1 . 1 15 15 ILE N N 15 114.956 0.3 . 1 . . . . . 809 ILE N . 53185 1 50 . 1 . 1 16 16 VAL H H 1 8.545 0.020 . 1 . . . . . 810 VAL H . 53185 1 51 . 1 . 1 16 16 VAL C C 13 175.823 0.3 . 1 . . . . . 810 VAL C . 53185 1 52 . 1 . 1 16 16 VAL CA C 13 59.906 0.3 . 1 . . . . . 810 VAL CA . 53185 1 53 . 1 . 1 16 16 VAL CB C 13 34.043 0.3 . 1 . . . . . 810 VAL CB . 53185 1 54 . 1 . 1 16 16 VAL N N 15 121.701 0.3 . 1 . . . . . 810 VAL N . 53185 1 55 . 1 . 1 17 17 SER H H 1 8.693 0.020 . 1 . . . . . 811 SER H . 53185 1 56 . 1 . 1 17 17 SER C C 13 177.432 0.3 . 1 . . . . . 811 SER C . 53185 1 57 . 1 . 1 17 17 SER CA C 13 58.124 0.3 . 1 . . . . . 811 SER CA . 53185 1 58 . 1 . 1 17 17 SER CB C 13 63.405 0.3 . 1 . . . . . 811 SER CB . 53185 1 59 . 1 . 1 17 17 SER N N 15 117.999 0.3 . 1 . . . . . 811 SER N . 53185 1 60 . 1 . 1 18 18 VAL H H 1 8.858 0.020 . 1 . . . . . 812 VAL H . 53185 1 61 . 1 . 1 18 18 VAL C C 13 177.295 0.3 . 1 . . . . . 812 VAL C . 53185 1 62 . 1 . 1 18 18 VAL CA C 13 65.900 0.3 . 1 . . . . . 812 VAL CA . 53185 1 63 . 1 . 1 18 18 VAL CB C 13 32.155 0.3 . 1 . . . . . 812 VAL CB . 53185 1 64 . 1 . 1 18 18 VAL N N 15 131.156 0.3 . 1 . . . . . 812 VAL N . 53185 1 65 . 1 . 1 19 19 ASN H H 1 8.657 0.020 . 1 . . . . . 813 ASN H . 53185 1 66 . 1 . 1 19 19 ASN C C 13 176.583 0.3 . 1 . . . . . 813 ASN C . 53185 1 67 . 1 . 1 19 19 ASN CA C 13 55.433 0.3 . 1 . . . . . 813 ASN CA . 53185 1 68 . 1 . 1 19 19 ASN CB C 13 39.207 0.3 . 1 . . . . . 813 ASN CB . 53185 1 69 . 1 . 1 19 19 ASN N N 15 115.761 0.3 . 1 . . . . . 813 ASN N . 53185 1 70 . 1 . 1 21 21 GLY H H 1 8.208 0.020 . 1 . . . . . 815 GLY H . 53185 1 71 . 1 . 1 21 21 GLY C C 13 173.632 0.3 . 1 . . . . . 815 GLY C . 53185 1 72 . 1 . 1 21 21 GLY CA C 13 45.862 0.3 . 1 . . . . . 815 GLY CA . 53185 1 73 . 1 . 1 21 21 GLY N N 15 112.603 0.3 . 1 . . . . . 815 GLY N . 53185 1 74 . 1 . 1 22 22 LYS H H 1 7.929 0.020 . 1 . . . . . 816 LYS H . 53185 1 75 . 1 . 1 22 22 LYS C C 13 175.015 0.3 . 1 . . . . . 816 LYS C . 53185 1 76 . 1 . 1 22 22 LYS CA C 13 57.259 0.3 . 1 . . . . . 816 LYS CA . 53185 1 77 . 1 . 1 22 22 LYS CB C 13 33.392 0.3 . 1 . . . . . 816 LYS CB . 53185 1 78 . 1 . 1 22 22 LYS N N 15 120.636 0.3 . 1 . . . . . 816 LYS N . 53185 1 79 . 1 . 1 23 23 ARG H H 1 8.429 0.020 . 1 . . . . . 817 ARG H . 53185 1 80 . 1 . 1 23 23 ARG HE H 1 7.176 0.020 . 1 . . . . . 817 ARG HE . 53185 1 81 . 1 . 1 23 23 ARG C C 13 174.792 0.3 . 1 . . . . . 817 ARG C . 53185 1 82 . 1 . 1 23 23 ARG CA C 13 54.767 0.3 . 1 . . . . . 817 ARG CA . 53185 1 83 . 1 . 1 23 23 ARG CB C 13 34.320 0.3 . 1 . . . . . 817 ARG CB . 53185 1 84 . 1 . 1 23 23 ARG N N 15 120.567 0.3 . 1 . . . . . 817 ARG N . 53185 1 85 . 1 . 1 23 23 ARG NE N 15 84.121 0.3 . 1 . . . . . 817 ARG NE . 53185 1 86 . 1 . 1 24 24 TYR H H 1 9.357 0.020 . 1 . . . . . 818 TYR H . 53185 1 87 . 1 . 1 24 24 TYR C C 13 173.650 0.3 . 1 . . . . . 818 TYR C . 53185 1 88 . 1 . 1 24 24 TYR CA C 13 58.006 0.3 . 1 . . . . . 818 TYR CA . 53185 1 89 . 1 . 1 24 24 TYR CB C 13 40.567 0.3 . 1 . . . . . 818 TYR CB . 53185 1 90 . 1 . 1 24 24 TYR N N 15 126.572 0.3 . 1 . . . . . 818 TYR N . 53185 1 91 . 1 . 1 25 25 CYS H H 1 8.231 0.020 . 1 . . . . . 819 CYS H . 53185 1 92 . 1 . 1 25 25 CYS C C 13 173.158 0.3 . 1 . . . . . 819 CYS C . 53185 1 93 . 1 . 1 25 25 CYS CA C 13 54.656 0.3 . 1 . . . . . 819 CYS CA . 53185 1 94 . 1 . 1 25 25 CYS CB C 13 48.894 0.3 . 1 . . . . . 819 CYS CB . 53185 1 95 . 1 . 1 25 25 CYS N N 15 124.398 0.3 . 1 . . . . . 819 CYS N . 53185 1 96 . 1 . 1 26 26 LEU H H 1 8.730 0.020 . 1 . . . . . 820 LEU H . 53185 1 97 . 1 . 1 26 26 LEU C C 13 173.201 0.3 . 1 . . . . . 820 LEU C . 53185 1 98 . 1 . 1 26 26 LEU CA C 13 51.317 0.3 . 1 . . . . . 820 LEU CA . 53185 1 99 . 1 . 1 26 26 LEU CB C 13 46.196 0.3 . 1 . . . . . 820 LEU CB . 53185 1 100 . 1 . 1 26 26 LEU N N 15 121.066 0.3 . 1 . . . . . 820 LEU N . 53185 1 101 . 1 . 1 28 28 VAL H H 1 7.612 0.020 . 1 . . . . . 822 VAL H . 53185 1 102 . 1 . 1 28 28 VAL C C 13 177.044 0.3 . 1 . . . . . 822 VAL C . 53185 1 103 . 1 . 1 28 28 VAL CA C 13 64.349 0.3 . 1 . . . . . 822 VAL CA . 53185 1 104 . 1 . 1 28 28 VAL CB C 13 31.992 0.3 . 1 . . . . . 822 VAL CB . 53185 1 105 . 1 . 1 28 28 VAL N N 15 115.681 0.3 . 1 . . . . . 822 VAL N . 53185 1 106 . 1 . 1 29 29 GLY H H 1 8.208 0.020 . 1 . . . . . 823 GLY H . 53185 1 107 . 1 . 1 29 29 GLY C C 13 177.068 0.3 . 1 . . . . . 823 GLY C . 53185 1 108 . 1 . 1 29 29 GLY CA C 13 44.638 0.3 . 1 . . . . . 823 GLY CA . 53185 1 109 . 1 . 1 29 29 GLY N N 15 113.285 0.3 . 1 . . . . . 823 GLY N . 53185 1 110 . 1 . 1 30 30 GLN H H 1 7.891 0.020 . 1 . . . . . 824 GLN H . 53185 1 111 . 1 . 1 30 30 GLN C C 13 173.596 0.3 . 1 . . . . . 824 GLN C . 53185 1 112 . 1 . 1 30 30 GLN CA C 13 53.979 0.3 . 1 . . . . . 824 GLN CA . 53185 1 113 . 1 . 1 30 30 GLN CB C 13 32.181 0.3 . 1 . . . . . 824 GLN CB . 53185 1 114 . 1 . 1 30 30 GLN N N 15 118.571 0.3 . 1 . . . . . 824 GLN N . 53185 1 115 . 1 . 1 31 31 ARG H H 1 8.598 0.020 . 1 . . . . . 825 ARG H . 53185 1 116 . 1 . 1 31 31 ARG HE H 1 7.819 0.020 . 1 . . . . . 825 ARG HE . 53185 1 117 . 1 . 1 31 31 ARG C C 13 174.873 0.3 . 1 . . . . . 825 ARG C . 53185 1 118 . 1 . 1 31 31 ARG CA C 13 53.913 0.3 . 1 . . . . . 825 ARG CA . 53185 1 119 . 1 . 1 31 31 ARG CB C 13 33.716 0.3 . 1 . . . . . 825 ARG CB . 53185 1 120 . 1 . 1 31 31 ARG N N 15 113.533 0.3 . 1 . . . . . 825 ARG N . 53185 1 121 . 1 . 1 31 31 ARG NE N 15 86.045 0.3 . 1 . . . . . 825 ARG NE . 53185 1 122 . 1 . 1 32 32 SER H H 1 9.304 0.020 . 1 . . . . . 826 SER H . 53185 1 123 . 1 . 1 32 32 SER C C 13 175.425 0.3 . 1 . . . . . 826 SER C . 53185 1 124 . 1 . 1 32 32 SER CA C 13 57.936 0.3 . 1 . . . . . 826 SER CA . 53185 1 125 . 1 . 1 32 32 SER CB C 13 67.518 0.3 . 1 . . . . . 826 SER CB . 53185 1 126 . 1 . 1 32 32 SER N N 15 113.251 0.3 . 1 . . . . . 826 SER N . 53185 1 127 . 1 . 1 33 33 GLY H H 1 9.315 0.020 . 1 . . . . . 827 GLY H . 53185 1 128 . 1 . 1 33 33 GLY CA C 13 45.022 0.3 . 1 . . . . . 827 GLY CA . 53185 1 129 . 1 . 1 33 33 GLY N N 15 107.578 0.3 . 1 . . . . . 827 GLY N . 53185 1 130 . 1 . 1 35 35 SER H H 1 7.787 0.020 . 1 . . . . . 829 SER H . 53185 1 131 . 1 . 1 35 35 SER C C 13 174.352 0.3 . 1 . . . . . 829 SER C . 53185 1 132 . 1 . 1 35 35 SER CA C 13 56.101 0.3 . 1 . . . . . 829 SER CA . 53185 1 133 . 1 . 1 35 35 SER CB C 13 66.536 0.3 . 1 . . . . . 829 SER CB . 53185 1 134 . 1 . 1 35 35 SER N N 15 106.452 0.3 . 1 . . . . . 829 SER N . 53185 1 135 . 1 . 1 36 36 LEU H H 1 7.446 0.020 . 1 . . . . . 830 LEU H . 53185 1 136 . 1 . 1 36 36 LEU C C 13 171.398 0.3 . 1 . . . . . 830 LEU C . 53185 1 137 . 1 . 1 36 36 LEU CA C 13 53.471 0.3 . 1 . . . . . 830 LEU CA . 53185 1 138 . 1 . 1 36 36 LEU CB C 13 40.899 0.3 . 1 . . . . . 830 LEU CB . 53185 1 139 . 1 . 1 36 36 LEU N N 15 121.132 0.3 . 1 . . . . . 830 LEU N . 53185 1 140 . 1 . 1 38 38 ASP H H 1 8.902 0.020 . 1 . . . . . 832 ASP H . 53185 1 141 . 1 . 1 38 38 ASP C C 13 176.204 0.3 . 1 . . . . . 832 ASP C . 53185 1 142 . 1 . 1 38 38 ASP CA C 13 57.014 0.3 . 1 . . . . . 832 ASP CA . 53185 1 143 . 1 . 1 38 38 ASP CB C 13 40.038 0.3 . 1 . . . . . 832 ASP CB . 53185 1 144 . 1 . 1 38 38 ASP N N 15 121.768 0.3 . 1 . . . . . 832 ASP N . 53185 1 145 . 1 . 1 39 39 TRP H H 1 6.985 0.020 . 1 . . . . . 833 TRP H . 53185 1 146 . 1 . 1 39 39 TRP HE1 H 1 10.760 0.020 . 1 . . . . . 833 TRP HE1 . 53185 1 147 . 1 . 1 39 39 TRP C C 13 174.966 0.3 . 1 . . . . . 833 TRP C . 53185 1 148 . 1 . 1 39 39 TRP CA C 13 55.081 0.3 . 1 . . . . . 833 TRP CA . 53185 1 149 . 1 . 1 39 39 TRP CB C 13 27.861 0.3 . 1 . . . . . 833 TRP CB . 53185 1 150 . 1 . 1 39 39 TRP N N 15 113.488 0.3 . 1 . . . . . 833 TRP N . 53185 1 151 . 1 . 1 39 39 TRP NE1 N 15 132.489 0.3 . 1 . . . . . 833 TRP NE1 . 53185 1 152 . 1 . 1 40 40 ILE H H 1 7.361 0.020 . 1 . . . . . 834 ILE H . 53185 1 153 . 1 . 1 40 40 ILE C C 13 172.762 0.3 . 1 . . . . . 834 ILE C . 53185 1 154 . 1 . 1 40 40 ILE CA C 13 60.865 0.3 . 1 . . . . . 834 ILE CA . 53185 1 155 . 1 . 1 40 40 ILE CB C 13 41.656 0.3 . 1 . . . . . 834 ILE CB . 53185 1 156 . 1 . 1 40 40 ILE N N 15 118.674 0.3 . 1 . . . . . 834 ILE N . 53185 1 157 . 1 . 1 41 41 VAL H H 1 7.500 0.020 . 1 . . . . . 835 VAL H . 53185 1 158 . 1 . 1 41 41 VAL C C 13 175.751 0.3 . 1 . . . . . 835 VAL C . 53185 1 159 . 1 . 1 41 41 VAL CA C 13 62.520 0.3 . 1 . . . . . 835 VAL CA . 53185 1 160 . 1 . 1 41 41 VAL CB C 13 30.270 0.3 . 1 . . . . . 835 VAL CB . 53185 1 161 . 1 . 1 41 41 VAL N N 15 121.465 0.3 . 1 . . . . . 835 VAL N . 53185 1 162 . 1 . 1 42 42 GLY H H 1 8.719 0.020 . 1 . . . . . 836 GLY H . 53185 1 163 . 1 . 1 42 42 GLY C C 13 172.962 0.3 . 1 . . . . . 836 GLY C . 53185 1 164 . 1 . 1 42 42 GLY CA C 13 45.637 0.3 . 1 . . . . . 836 GLY CA . 53185 1 165 . 1 . 1 42 42 GLY N N 15 113.350 0.3 . 1 . . . . . 836 GLY N . 53185 1 166 . 1 . 1 43 43 GLN H H 1 7.624 0.020 . 1 . . . . . 837 GLN H . 53185 1 167 . 1 . 1 43 43 GLN C C 13 173.698 0.3 . 1 . . . . . 837 GLN C . 53185 1 168 . 1 . 1 43 43 GLN CA C 13 54.296 0.3 . 1 . . . . . 837 GLN CA . 53185 1 169 . 1 . 1 43 43 GLN CB C 13 29.325 0.3 . 1 . . . . . 837 GLN CB . 53185 1 170 . 1 . 1 43 43 GLN N N 15 118.814 0.3 . 1 . . . . . 837 GLN N . 53185 1 171 . 1 . 1 44 44 GLU H H 1 8.334 0.020 . 1 . . . . . 838 GLU H . 53185 1 172 . 1 . 1 44 44 GLU C C 13 178.056 0.3 . 1 . . . . . 838 GLU C . 53185 1 173 . 1 . 1 44 44 GLU CA C 13 56.785 0.3 . 1 . . . . . 838 GLU CA . 53185 1 174 . 1 . 1 44 44 GLU CB C 13 30.219 0.3 . 1 . . . . . 838 GLU CB . 53185 1 175 . 1 . 1 44 44 GLU N N 15 118.769 0.3 . 1 . . . . . 838 GLU N . 53185 1 176 . 1 . 1 45 45 VAL H H 1 8.426 0.020 . 1 . . . . . 839 VAL H . 53185 1 177 . 1 . 1 45 45 VAL C C 13 173.706 0.3 . 1 . . . . . 839 VAL C . 53185 1 178 . 1 . 1 45 45 VAL CA C 13 58.846 0.3 . 1 . . . . . 839 VAL CA . 53185 1 179 . 1 . 1 45 45 VAL CB C 13 35.834 0.3 . 1 . . . . . 839 VAL CB . 53185 1 180 . 1 . 1 45 45 VAL N N 15 120.222 0.3 . 1 . . . . . 839 VAL N . 53185 1 181 . 1 . 1 46 46 TYR H H 1 8.263 0.020 . 1 . . . . . 840 TYR H . 53185 1 182 . 1 . 1 46 46 TYR C C 13 174.970 0.3 . 1 . . . . . 840 TYR C . 53185 1 183 . 1 . 1 46 46 TYR CA C 13 55.190 0.3 . 1 . . . . . 840 TYR CA . 53185 1 184 . 1 . 1 46 46 TYR CB C 13 41.522 0.3 . 1 . . . . . 840 TYR CB . 53185 1 185 . 1 . 1 46 46 TYR N N 15 110.478 0.3 . 1 . . . . . 840 TYR N . 53185 1 186 . 1 . 1 47 47 VAL H H 1 8.572 0.020 . 1 . . . . . 841 VAL H . 53185 1 187 . 1 . 1 47 47 VAL C C 13 176.329 0.3 . 1 . . . . . 841 VAL C . 53185 1 188 . 1 . 1 47 47 VAL CA C 13 61.819 0.3 . 1 . . . . . 841 VAL CA . 53185 1 189 . 1 . 1 47 47 VAL CB C 13 34.049 0.3 . 1 . . . . . 841 VAL CB . 53185 1 190 . 1 . 1 47 47 VAL N N 15 119.575 0.3 . 1 . . . . . 841 VAL N . 53185 1 191 . 1 . 1 48 48 ASP H H 1 8.630 0.020 . 1 . . . . . 842 ASP H . 53185 1 192 . 1 . 1 48 48 ASP C C 13 173.706 0.3 . 1 . . . . . 842 ASP C . 53185 1 193 . 1 . 1 48 48 ASP CA C 13 53.303 0.3 . 1 . . . . . 842 ASP CA . 53185 1 194 . 1 . 1 48 48 ASP CB C 13 43.109 0.3 . 1 . . . . . 842 ASP CB . 53185 1 195 . 1 . 1 48 48 ASP N N 15 127.046 0.3 . 1 . . . . . 842 ASP N . 53185 1 196 . 1 . 1 49 49 SER H H 1 8.570 0.020 . 1 . . . . . 843 SER H . 53185 1 197 . 1 . 1 49 49 SER C C 13 175.655 0.3 . 1 . . . . . 843 SER C . 53185 1 198 . 1 . 1 49 49 SER CA C 13 57.424 0.3 . 1 . . . . . 843 SER CA . 53185 1 199 . 1 . 1 49 49 SER CB C 13 64.419 0.3 . 1 . . . . . 843 SER CB . 53185 1 200 . 1 . 1 49 49 SER N N 15 119.472 0.3 . 1 . . . . . 843 SER N . 53185 1 201 . 1 . 1 50 50 GLY H H 1 9.061 0.020 . 1 . . . . . 844 GLY H . 53185 1 202 . 1 . 1 50 50 GLY C C 13 176.468 0.3 . 1 . . . . . 844 GLY C . 53185 1 203 . 1 . 1 50 50 GLY CA C 13 45.468 0.3 . 1 . . . . . 844 GLY CA . 53185 1 204 . 1 . 1 50 50 GLY N N 15 116.740 0.3 . 1 . . . . . 844 GLY N . 53185 1 205 . 1 . 1 51 51 ALA H H 1 8.738 0.020 . 1 . . . . . 845 ALA H . 53185 1 206 . 1 . 1 51 51 ALA C C 13 178.983 0.3 . 1 . . . . . 845 ALA C . 53185 1 207 . 1 . 1 51 51 ALA CA C 13 56.049 0.3 . 1 . . . . . 845 ALA CA . 53185 1 208 . 1 . 1 51 51 ALA CB C 13 19.857 0.3 . 1 . . . . . 845 ALA CB . 53185 1 209 . 1 . 1 51 51 ALA N N 15 121.003 0.3 . 1 . . . . . 845 ALA N . 53185 1 210 . 1 . 1 52 52 LYS H H 1 8.745 0.020 . 1 . . . . . 846 LYS H . 53185 1 211 . 1 . 1 52 52 LYS C C 13 175.839 0.3 . 1 . . . . . 846 LYS C . 53185 1 212 . 1 . 1 52 52 LYS CA C 13 55.496 0.3 . 1 . . . . . 846 LYS CA . 53185 1 213 . 1 . 1 52 52 LYS CB C 13 32.613 0.3 . 1 . . . . . 846 LYS CB . 53185 1 214 . 1 . 1 52 52 LYS N N 15 113.298 0.3 . 1 . . . . . 846 LYS N . 53185 1 215 . 1 . 1 53 53 ALA H H 1 7.958 0.020 . 1 . . . . . 847 ALA H . 53185 1 216 . 1 . 1 53 53 ALA C C 13 174.952 0.3 . 1 . . . . . 847 ALA C . 53185 1 217 . 1 . 1 53 53 ALA CA C 13 51.310 0.3 . 1 . . . . . 847 ALA CA . 53185 1 218 . 1 . 1 53 53 ALA CB C 13 23.246 0.3 . 1 . . . . . 847 ALA CB . 53185 1 219 . 1 . 1 53 53 ALA N N 15 124.914 0.3 . 1 . . . . . 847 ALA N . 53185 1 220 . 1 . 1 54 54 LYS H H 1 9.028 0.020 . 1 . . . . . 848 LYS H . 53185 1 221 . 1 . 1 54 54 LYS C C 13 173.462 0.3 . 1 . . . . . 848 LYS C . 53185 1 222 . 1 . 1 54 54 LYS CA C 13 55.215 0.3 . 1 . . . . . 848 LYS CA . 53185 1 223 . 1 . 1 54 54 LYS CB C 13 35.416 0.3 . 1 . . . . . 848 LYS CB . 53185 1 224 . 1 . 1 54 54 LYS N N 15 123.273 0.3 . 1 . . . . . 848 LYS N . 53185 1 225 . 1 . 1 55 55 VAL H H 1 9.166 0.020 . 1 . . . . . 849 VAL H . 53185 1 226 . 1 . 1 55 55 VAL C C 13 173.592 0.3 . 1 . . . . . 849 VAL C . 53185 1 227 . 1 . 1 55 55 VAL CA C 13 62.476 0.3 . 1 . . . . . 849 VAL CA . 53185 1 228 . 1 . 1 55 55 VAL CB C 13 33.846 0.3 . 1 . . . . . 849 VAL CB . 53185 1 229 . 1 . 1 55 55 VAL N N 15 127.262 0.3 . 1 . . . . . 849 VAL N . 53185 1 230 . 1 . 1 56 56 LEU H H 1 9.497 0.020 . 1 . . . . . 850 LEU H . 53185 1 231 . 1 . 1 56 56 LEU C C 13 176.166 0.3 . 1 . . . . . 850 LEU C . 53185 1 232 . 1 . 1 56 56 LEU CA C 13 52.087 0.3 . 1 . . . . . 850 LEU CA . 53185 1 233 . 1 . 1 56 56 LEU CB C 13 41.358 0.3 . 1 . . . . . 850 LEU CB . 53185 1 234 . 1 . 1 56 56 LEU N N 15 127.179 0.3 . 1 . . . . . 850 LEU N . 53185 1 235 . 1 . 1 57 57 LEU H H 1 8.383 0.020 . 1 . . . . . 851 LEU H . 53185 1 236 . 1 . 1 57 57 LEU C C 13 176.226 0.3 . 1 . . . . . 851 LEU C . 53185 1 237 . 1 . 1 57 57 LEU CA C 13 52.028 0.3 . 1 . . . . . 851 LEU CA . 53185 1 238 . 1 . 1 57 57 LEU CB C 13 47.069 0.3 . 1 . . . . . 851 LEU CB . 53185 1 239 . 1 . 1 57 57 LEU N N 15 119.269 0.3 . 1 . . . . . 851 LEU N . 53185 1 240 . 1 . 1 58 58 SER H H 1 7.467 0.020 . 1 . . . . . 852 SER H . 53185 1 241 . 1 . 1 58 58 SER C C 13 175.284 0.3 . 1 . . . . . 852 SER C . 53185 1 242 . 1 . 1 58 58 SER CA C 13 56.615 0.3 . 1 . . . . . 852 SER CA . 53185 1 243 . 1 . 1 58 58 SER CB C 13 66.289 0.3 . 1 . . . . . 852 SER CB . 53185 1 244 . 1 . 1 58 58 SER N N 15 107.776 0.3 . 1 . . . . . 852 SER N . 53185 1 245 . 1 . 1 59 59 ASP H H 1 8.789 0.020 . 1 . . . . . 853 ASP H . 53185 1 246 . 1 . 1 59 59 ASP C C 13 173.650 0.3 . 1 . . . . . 853 ASP C . 53185 1 247 . 1 . 1 59 59 ASP CA C 13 54.884 0.3 . 1 . . . . . 853 ASP CA . 53185 1 248 . 1 . 1 59 59 ASP CB C 13 38.523 0.3 . 1 . . . . . 853 ASP CB . 53185 1 249 . 1 . 1 59 59 ASP N N 15 125.044 0.3 . 1 . . . . . 853 ASP N . 53185 1 250 . 1 . 1 60 60 TRP H H 1 8.722 0.020 . 1 . . . . . 854 TRP H . 53185 1 251 . 1 . 1 60 60 TRP HE1 H 1 9.688 0.020 . 1 . . . . . 854 TRP HE1 . 53185 1 252 . 1 . 1 60 60 TRP C C 13 176.179 0.3 . 1 . . . . . 854 TRP C . 53185 1 253 . 1 . 1 60 60 TRP CA C 13 53.250 0.3 . 1 . . . . . 854 TRP CA . 53185 1 254 . 1 . 1 60 60 TRP CB C 13 33.257 0.3 . 1 . . . . . 854 TRP CB . 53185 1 255 . 1 . 1 60 60 TRP N N 15 122.909 0.3 . 1 . . . . . 854 TRP N . 53185 1 256 . 1 . 1 60 60 TRP NE1 N 15 127.268 0.3 . 1 . . . . . 854 TRP NE1 . 53185 1 257 . 1 . 1 61 61 ASP H H 1 7.829 0.020 . 1 . . . . . 855 ASP H . 53185 1 258 . 1 . 1 61 61 ASP C C 13 176.068 0.3 . 1 . . . . . 855 ASP C . 53185 1 259 . 1 . 1 61 61 ASP CA C 13 55.167 0.3 . 1 . . . . . 855 ASP CA . 53185 1 260 . 1 . 1 61 61 ASP CB C 13 40.589 0.3 . 1 . . . . . 855 ASP CB . 53185 1 261 . 1 . 1 61 61 ASP N N 15 118.389 0.3 . 1 . . . . . 855 ASP N . 53185 1 262 . 1 . 1 62 62 ASN H H 1 9.224 0.020 . 1 . . . . . 856 ASN H . 53185 1 263 . 1 . 1 62 62 ASN C C 13 171.533 0.3 . 1 . . . . . 856 ASN C . 53185 1 264 . 1 . 1 62 62 ASN CA C 13 54.963 0.3 . 1 . . . . . 856 ASN CA . 53185 1 265 . 1 . 1 62 62 ASN CB C 13 40.094 0.3 . 1 . . . . . 856 ASN CB . 53185 1 266 . 1 . 1 62 62 ASN N N 15 115.213 0.3 . 1 . . . . . 856 ASN N . 53185 1 267 . 1 . 1 63 63 LEU H H 1 9.265 0.020 . 1 . . . . . 857 LEU H . 53185 1 268 . 1 . 1 63 63 LEU C C 13 176.785 0.3 . 1 . . . . . 857 LEU C . 53185 1 269 . 1 . 1 63 63 LEU CA C 13 55.052 0.3 . 1 . . . . . 857 LEU CA . 53185 1 270 . 1 . 1 63 63 LEU CB C 13 40.086 0.3 . 1 . . . . . 857 LEU CB . 53185 1 271 . 1 . 1 63 63 LEU N N 15 112.962 0.3 . 1 . . . . . 857 LEU N . 53185 1 272 . 1 . 1 64 64 SER H H 1 6.394 0.020 . 1 . . . . . 858 SER H . 53185 1 273 . 1 . 1 64 64 SER C C 13 174.318 0.3 . 1 . . . . . 858 SER C . 53185 1 274 . 1 . 1 64 64 SER CA C 13 58.910 0.3 . 1 . . . . . 858 SER CA . 53185 1 275 . 1 . 1 64 64 SER CB C 13 65.286 0.3 . 1 . . . . . 858 SER CB . 53185 1 276 . 1 . 1 64 64 SER N N 15 106.549 0.3 . 1 . . . . . 858 SER N . 53185 1 277 . 1 . 1 65 65 TYR H H 1 8.232 0.020 . 1 . . . . . 859 TYR H . 53185 1 278 . 1 . 1 65 65 TYR C C 13 174.806 0.3 . 1 . . . . . 859 TYR C . 53185 1 279 . 1 . 1 65 65 TYR CA C 13 58.809 0.3 . 1 . . . . . 859 TYR CA . 53185 1 280 . 1 . 1 65 65 TYR N N 15 111.261 0.3 . 1 . . . . . 859 TYR N . 53185 1 281 . 1 . 1 66 66 ASN H H 1 9.272 0.020 . 1 . . . . . 860 ASN H . 53185 1 282 . 1 . 1 66 66 ASN C C 13 176.335 0.3 . 1 . . . . . 860 ASN C . 53185 1 283 . 1 . 1 66 66 ASN CA C 13 53.687 0.3 . 1 . . . . . 860 ASN CA . 53185 1 284 . 1 . 1 66 66 ASN CB C 13 37.490 0.3 . 1 . . . . . 860 ASN CB . 53185 1 285 . 1 . 1 66 66 ASN N N 15 111.571 0.3 . 1 . . . . . 860 ASN N . 53185 1 286 . 1 . 1 67 67 ARG H H 1 8.608 0.020 . 1 . . . . . 861 ARG H . 53185 1 287 . 1 . 1 67 67 ARG HE H 1 7.587 0.020 . 1 . . . . . 861 ARG HE . 53185 1 288 . 1 . 1 67 67 ARG C C 13 175.740 0.3 . 1 . . . . . 861 ARG C . 53185 1 289 . 1 . 1 67 67 ARG CA C 13 55.259 0.3 . 1 . . . . . 861 ARG CA . 53185 1 290 . 1 . 1 67 67 ARG CB C 13 29.257 0.3 . 1 . . . . . 861 ARG CB . 53185 1 291 . 1 . 1 67 67 ARG N N 15 123.889 0.3 . 1 . . . . . 861 ARG N . 53185 1 292 . 1 . 1 67 67 ARG NE N 15 84.664 0.3 . 1 . . . . . 861 ARG NE . 53185 1 293 . 1 . 1 68 68 ILE H H 1 7.496 0.020 . 1 . . . . . 862 ILE H . 53185 1 294 . 1 . 1 68 68 ILE C C 13 173.097 0.3 . 1 . . . . . 862 ILE C . 53185 1 295 . 1 . 1 68 68 ILE CA C 13 62.407 0.3 . 1 . . . . . 862 ILE CA . 53185 1 296 . 1 . 1 68 68 ILE CB C 13 40.771 0.3 . 1 . . . . . 862 ILE CB . 53185 1 297 . 1 . 1 68 68 ILE N N 15 121.657 0.3 . 1 . . . . . 862 ILE N . 53185 1 298 . 1 . 1 69 69 GLY H H 1 7.903 0.020 . 1 . . . . . 863 GLY H . 53185 1 299 . 1 . 1 69 69 GLY C C 13 170.675 0.3 . 1 . . . . . 863 GLY C . 53185 1 300 . 1 . 1 69 69 GLY CA C 13 42.029 0.3 . 1 . . . . . 863 GLY CA . 53185 1 301 . 1 . 1 69 69 GLY N N 15 114.749 0.3 . 1 . . . . . 863 GLY N . 53185 1 302 . 1 . 1 70 70 GLU H H 1 7.460 0.020 . 1 . . . . . 864 GLU H . 53185 1 303 . 1 . 1 70 70 GLU C C 13 175.115 0.3 . 1 . . . . . 864 GLU C . 53185 1 304 . 1 . 1 70 70 GLU CA C 13 54.238 0.3 . 1 . . . . . 864 GLU CA . 53185 1 305 . 1 . 1 70 70 GLU CB C 13 32.444 0.3 . 1 . . . . . 864 GLU CB . 53185 1 306 . 1 . 1 70 70 GLU N N 15 118.774 0.3 . 1 . . . . . 864 GLU N . 53185 1 307 . 1 . 1 71 71 PHE H H 1 9.228 0.020 . 1 . . . . . 865 PHE H . 53185 1 308 . 1 . 1 71 71 PHE C C 13 173.505 0.3 . 1 . . . . . 865 PHE C . 53185 1 309 . 1 . 1 71 71 PHE CA C 13 57.628 0.3 . 1 . . . . . 865 PHE CA . 53185 1 310 . 1 . 1 71 71 PHE CB C 13 43.247 0.3 . 1 . . . . . 865 PHE CB . 53185 1 311 . 1 . 1 71 71 PHE N N 15 119.765 0.3 . 1 . . . . . 865 PHE N . 53185 1 312 . 1 . 1 72 72 VAL H H 1 8.358 0.020 . 1 . . . . . 866 VAL H . 53185 1 313 . 1 . 1 72 72 VAL C C 13 174.717 0.3 . 1 . . . . . 866 VAL C . 53185 1 314 . 1 . 1 72 72 VAL CA C 13 58.906 0.3 . 1 . . . . . 866 VAL CA . 53185 1 315 . 1 . 1 72 72 VAL CB C 13 35.042 0.3 . 1 . . . . . 866 VAL CB . 53185 1 316 . 1 . 1 72 72 VAL N N 15 115.485 0.3 . 1 . . . . . 866 VAL N . 53185 1 317 . 1 . 1 73 73 GLY H H 1 8.764 0.020 . 1 . . . . . 867 GLY H . 53185 1 318 . 1 . 1 73 73 GLY C C 13 172.429 0.3 . 1 . . . . . 867 GLY C . 53185 1 319 . 1 . 1 73 73 GLY CA C 13 46.039 0.3 . 1 . . . . . 867 GLY CA . 53185 1 320 . 1 . 1 73 73 GLY N N 15 109.371 0.3 . 1 . . . . . 867 GLY N . 53185 1 321 . 1 . 1 74 74 ASN H H 1 8.260 0.020 . 1 . . . . . 868 ASN H . 53185 1 322 . 1 . 1 74 74 ASN C C 13 175.026 0.3 . 1 . . . . . 868 ASN C . 53185 1 323 . 1 . 1 74 74 ASN CA C 13 51.927 0.3 . 1 . . . . . 868 ASN CA . 53185 1 324 . 1 . 1 74 74 ASN CB C 13 40.458 0.3 . 1 . . . . . 868 ASN CB . 53185 1 325 . 1 . 1 74 74 ASN N N 15 122.522 0.3 . 1 . . . . . 868 ASN N . 53185 1 326 . 1 . 1 75 75 VAL H H 1 8.742 0.020 . 1 . . . . . 869 VAL H . 53185 1 327 . 1 . 1 75 75 VAL C C 13 174.471 0.3 . 1 . . . . . 869 VAL C . 53185 1 328 . 1 . 1 75 75 VAL CA C 13 61.297 0.3 . 1 . . . . . 869 VAL CA . 53185 1 329 . 1 . 1 75 75 VAL CB C 13 35.316 0.3 . 1 . . . . . 869 VAL CB . 53185 1 330 . 1 . 1 75 75 VAL N N 15 126.314 0.3 . 1 . . . . . 869 VAL N . 53185 1 331 . 1 . 1 76 76 ASN H H 1 9.140 0.020 . 1 . . . . . 870 ASN H . 53185 1 332 . 1 . 1 76 76 ASN C C 13 174.547 0.3 . 1 . . . . . 870 ASN C . 53185 1 333 . 1 . 1 76 76 ASN CA C 13 51.695 0.3 . 1 . . . . . 870 ASN CA . 53185 1 334 . 1 . 1 76 76 ASN CB C 13 38.704 0.3 . 1 . . . . . 870 ASN CB . 53185 1 335 . 1 . 1 76 76 ASN N N 15 125.725 0.3 . 1 . . . . . 870 ASN N . 53185 1 336 . 1 . 1 78 78 ALA H H 1 8.458 0.020 . 1 . . . . . 872 ALA H . 53185 1 337 . 1 . 1 78 78 ALA C C 13 179.932 0.3 . 1 . . . . . 872 ALA C . 53185 1 338 . 1 . 1 78 78 ALA CA C 13 54.975 0.3 . 1 . . . . . 872 ALA CA . 53185 1 339 . 1 . 1 78 78 ALA CB C 13 18.374 0.3 . 1 . . . . . 872 ALA CB . 53185 1 340 . 1 . 1 78 78 ALA N N 15 118.144 0.3 . 1 . . . . . 872 ALA N . 53185 1 341 . 1 . 1 79 79 ASP H H 1 7.911 0.020 . 1 . . . . . 873 ASP H . 53185 1 342 . 1 . 1 79 79 ASP C C 13 175.871 0.3 . 1 . . . . . 873 ASP C . 53185 1 343 . 1 . 1 79 79 ASP CA C 13 55.067 0.3 . 1 . . . . . 873 ASP CA . 53185 1 344 . 1 . 1 79 79 ASP CB C 13 41.063 0.3 . 1 . . . . . 873 ASP CB . 53185 1 345 . 1 . 1 79 79 ASP N N 15 115.091 0.3 . 1 . . . . . 873 ASP N . 53185 1 346 . 1 . 1 80 80 MET H H 1 7.858 0.020 . 1 . . . . . 874 MET H . 53185 1 347 . 1 . 1 80 80 MET C C 13 174.983 0.3 . 1 . . . . . 874 MET C . 53185 1 348 . 1 . 1 80 80 MET CA C 13 55.550 0.3 . 1 . . . . . 874 MET CA . 53185 1 349 . 1 . 1 80 80 MET CB C 13 34.985 0.3 . 1 . . . . . 874 MET CB . 53185 1 350 . 1 . 1 80 80 MET N N 15 117.591 0.3 . 1 . . . . . 874 MET N . 53185 1 351 . 1 . 1 81 81 LYS H H 1 6.991 0.020 . 1 . . . . . 875 LYS H . 53185 1 352 . 1 . 1 81 81 LYS C C 13 175.845 0.3 . 1 . . . . . 875 LYS C . 53185 1 353 . 1 . 1 81 81 LYS CA C 13 57.496 0.3 . 1 . . . . . 875 LYS CA . 53185 1 354 . 1 . 1 81 81 LYS CB C 13 33.487 0.3 . 1 . . . . . 875 LYS CB . 53185 1 355 . 1 . 1 81 81 LYS N N 15 116.984 0.3 . 1 . . . . . 875 LYS N . 53185 1 356 . 1 . 1 82 82 LYS H H 1 8.161 0.020 . 1 . . . . . 876 LYS H . 53185 1 357 . 1 . 1 82 82 LYS C C 13 174.092 0.3 . 1 . . . . . 876 LYS C . 53185 1 358 . 1 . 1 82 82 LYS CA C 13 55.914 0.3 . 1 . . . . . 876 LYS CA . 53185 1 359 . 1 . 1 82 82 LYS CB C 13 32.795 0.3 . 1 . . . . . 876 LYS CB . 53185 1 360 . 1 . 1 82 82 LYS N N 15 121.721 0.3 . 1 . . . . . 876 LYS N . 53185 1 361 . 1 . 1 83 83 VAL H H 1 9.108 0.020 . 1 . . . . . 877 VAL H . 53185 1 362 . 1 . 1 83 83 VAL C C 13 174.955 0.3 . 1 . . . . . 877 VAL C . 53185 1 363 . 1 . 1 83 83 VAL CA C 13 61.472 0.3 . 1 . . . . . 877 VAL CA . 53185 1 364 . 1 . 1 83 83 VAL CB C 13 35.629 0.3 . 1 . . . . . 877 VAL CB . 53185 1 365 . 1 . 1 83 83 VAL N N 15 127.706 0.3 . 1 . . . . . 877 VAL N . 53185 1 366 . 1 . 1 84 84 LYS H H 1 8.926 0.020 . 1 . . . . . 878 LYS H . 53185 1 367 . 1 . 1 84 84 LYS C C 13 174.531 0.3 . 1 . . . . . 878 LYS C . 53185 1 368 . 1 . 1 84 84 LYS CA C 13 57.399 0.3 . 1 . . . . . 878 LYS CA . 53185 1 369 . 1 . 1 84 84 LYS CB C 13 30.965 0.3 . 1 . . . . . 878 LYS CB . 53185 1 370 . 1 . 1 84 84 LYS N N 15 129.361 0.3 . 1 . . . . . 878 LYS N . 53185 1 371 . 1 . 1 85 85 ALA H H 1 9.148 0.020 . 1 . . . . . 879 ALA H . 53185 1 372 . 1 . 1 85 85 ALA C C 13 180.736 0.3 . 1 . . . . . 879 ALA C . 53185 1 373 . 1 . 1 85 85 ALA CA C 13 50.440 0.3 . 1 . . . . . 879 ALA CA . 53185 1 374 . 1 . 1 85 85 ALA CB C 13 22.629 0.3 . 1 . . . . . 879 ALA CB . 53185 1 375 . 1 . 1 85 85 ALA N N 15 133.018 0.3 . 1 . . . . . 879 ALA N . 53185 1 376 . 1 . 1 86 86 TRP H H 1 9.304 0.020 . 1 . . . . . 880 TRP H . 53185 1 377 . 1 . 1 86 86 TRP HE1 H 1 10.989 0.020 . 1 . . . . . 880 TRP HE1 . 53185 1 378 . 1 . 1 86 86 TRP C C 13 177.191 0.3 . 1 . . . . . 880 TRP C . 53185 1 379 . 1 . 1 86 86 TRP CA C 13 58.299 0.3 . 1 . . . . . 880 TRP CA . 53185 1 380 . 1 . 1 86 86 TRP CB C 13 28.989 0.3 . 1 . . . . . 880 TRP CB . 53185 1 381 . 1 . 1 86 86 TRP N N 15 121.189 0.3 . 1 . . . . . 880 TRP N . 53185 1 382 . 1 . 1 86 86 TRP NE1 N 15 129.369 0.3 . 1 . . . . . 880 TRP NE1 . 53185 1 383 . 1 . 1 87 87 ASN H H 1 7.542 0.020 . 1 . . . . . 881 ASN H . 53185 1 384 . 1 . 1 87 87 ASN C C 13 176.410 0.3 . 1 . . . . . 881 ASN C . 53185 1 385 . 1 . 1 87 87 ASN CA C 13 52.736 0.3 . 1 . . . . . 881 ASN CA . 53185 1 386 . 1 . 1 87 87 ASN CB C 13 36.679 0.3 . 1 . . . . . 881 ASN CB . 53185 1 387 . 1 . 1 87 87 ASN N N 15 113.991 0.3 . 1 . . . . . 881 ASN N . 53185 1 388 . 1 . 1 88 88 GLY H H 1 8.405 0.020 . 1 . . . . . 882 GLY H . 53185 1 389 . 1 . 1 88 88 GLY C C 13 173.644 0.3 . 1 . . . . . 882 GLY C . 53185 1 390 . 1 . 1 88 88 GLY CA C 13 45.185 0.3 . 1 . . . . . 882 GLY CA . 53185 1 391 . 1 . 1 88 88 GLY N N 15 108.442 0.3 . 1 . . . . . 882 GLY N . 53185 1 392 . 1 . 1 89 89 GLN H H 1 7.864 0.020 . 1 . . . . . 883 GLN H . 53185 1 393 . 1 . 1 89 89 GLN C C 13 174.692 0.3 . 1 . . . . . 883 GLN C . 53185 1 394 . 1 . 1 89 89 GLN CA C 13 54.228 0.3 . 1 . . . . . 883 GLN CA . 53185 1 395 . 1 . 1 89 89 GLN CB C 13 30.166 0.3 . 1 . . . . . 883 GLN CB . 53185 1 396 . 1 . 1 89 89 GLN N N 15 119.028 0.3 . 1 . . . . . 883 GLN N . 53185 1 397 . 1 . 1 90 90 TYR H H 1 8.705 0.020 . 1 . . . . . 884 TYR H . 53185 1 398 . 1 . 1 90 90 TYR C C 13 175.494 0.3 . 1 . . . . . 884 TYR C . 53185 1 399 . 1 . 1 90 90 TYR CA C 13 58.635 0.3 . 1 . . . . . 884 TYR CA . 53185 1 400 . 1 . 1 90 90 TYR CB C 13 38.502 0.3 . 1 . . . . . 884 TYR CB . 53185 1 401 . 1 . 1 90 90 TYR N N 15 119.629 0.3 . 1 . . . . . 884 TYR N . 53185 1 402 . 1 . 1 91 91 LEU H H 1 8.692 0.020 . 1 . . . . . 885 LEU H . 53185 1 403 . 1 . 1 91 91 LEU C C 13 173.065 0.3 . 1 . . . . . 885 LEU C . 53185 1 404 . 1 . 1 91 91 LEU CA C 13 52.713 0.3 . 1 . . . . . 885 LEU CA . 53185 1 405 . 1 . 1 91 91 LEU CB C 13 44.507 0.3 . 1 . . . . . 885 LEU CB . 53185 1 406 . 1 . 1 91 91 LEU N N 15 125.415 0.3 . 1 . . . . . 885 LEU N . 53185 1 407 . 1 . 1 92 92 ASP H H 1 7.279 0.020 . 1 . . . . . 886 ASP H . 53185 1 408 . 1 . 1 92 92 ASP C C 13 177.712 0.3 . 1 . . . . . 886 ASP C . 53185 1 409 . 1 . 1 92 92 ASP CA C 13 52.068 0.3 . 1 . . . . . 886 ASP CA . 53185 1 410 . 1 . 1 92 92 ASP CB C 13 41.511 0.3 . 1 . . . . . 886 ASP CB . 53185 1 411 . 1 . 1 92 92 ASP N N 15 116.276 0.3 . 1 . . . . . 886 ASP N . 53185 1 412 . 1 . 1 93 93 PHE H H 1 8.980 0.020 . 1 . . . . . 887 PHE H . 53185 1 413 . 1 . 1 93 93 PHE C C 13 172.914 0.3 . 1 . . . . . 887 PHE C . 53185 1 414 . 1 . 1 93 93 PHE CA C 13 58.416 0.3 . 1 . . . . . 887 PHE CA . 53185 1 415 . 1 . 1 93 93 PHE CB C 13 40.624 0.3 . 1 . . . . . 887 PHE CB . 53185 1 416 . 1 . 1 93 93 PHE N N 15 125.208 0.3 . 1 . . . . . 887 PHE N . 53185 1 417 . 1 . 1 94 94 SER H H 1 8.651 0.020 . 1 . . . . . 888 SER H . 53185 1 418 . 1 . 1 94 94 SER C C 13 171.252 0.3 . 1 . . . . . 888 SER C . 53185 1 419 . 1 . 1 94 94 SER CA C 13 61.318 0.3 . 1 . . . . . 888 SER CA . 53185 1 420 . 1 . 1 94 94 SER CB C 13 63.666 0.3 . 1 . . . . . 888 SER CB . 53185 1 421 . 1 . 1 94 94 SER N N 15 113.002 0.3 . 1 . . . . . 888 SER N . 53185 1 422 . 1 . 1 95 95 LYS H H 1 7.596 0.020 . 1 . . . . . 889 LYS H . 53185 1 423 . 1 . 1 95 95 LYS C C 13 174.472 0.3 . 1 . . . . . 889 LYS C . 53185 1 424 . 1 . 1 95 95 LYS CA C 13 52.857 0.3 . 1 . . . . . 889 LYS CA . 53185 1 425 . 1 . 1 95 95 LYS CB C 13 32.285 0.3 . 1 . . . . . 889 LYS CB . 53185 1 426 . 1 . 1 95 95 LYS N N 15 119.426 0.3 . 1 . . . . . 889 LYS N . 53185 1 427 . 1 . 1 97 97 ARG H H 1 8.522 0.020 . 1 . . . . . 891 ARG H . 53185 1 428 . 1 . 1 97 97 ARG HE H 1 7.888 0.020 . 1 . . . . . 891 ARG HE . 53185 1 429 . 1 . 1 97 97 ARG CA C 13 56.458 0.3 . 1 . . . . . 891 ARG CA . 53185 1 430 . 1 . 1 97 97 ARG CB C 13 33.011 0.3 . 1 . . . . . 891 ARG CB . 53185 1 431 . 1 . 1 97 97 ARG N N 15 111.194 0.3 . 1 . . . . . 891 ARG N . 53185 1 432 . 1 . 1 97 97 ARG NE N 15 83.869 0.3 . 1 . . . . . 891 ARG NE . 53185 1 433 . 1 . 1 98 98 SER H H 1 7.819 0.020 . 1 . . . . . 892 SER H . 53185 1 434 . 1 . 1 98 98 SER C C 13 171.979 0.3 . 1 . . . . . 892 SER C . 53185 1 435 . 1 . 1 98 98 SER CA C 13 58.935 0.3 . 1 . . . . . 892 SER CA . 53185 1 436 . 1 . 1 98 98 SER CB C 13 62.862 0.3 . 1 . . . . . 892 SER CB . 53185 1 437 . 1 . 1 98 98 SER N N 15 107.846 0.3 . 1 . . . . . 892 SER N . 53185 1 438 . 1 . 1 99 99 MET H H 1 7.740 0.020 . 1 . . . . . 893 MET H . 53185 1 439 . 1 . 1 99 99 MET C C 13 172.552 0.3 . 1 . . . . . 893 MET C . 53185 1 440 . 1 . 1 99 99 MET CA C 13 55.448 0.3 . 1 . . . . . 893 MET CA . 53185 1 441 . 1 . 1 99 99 MET CB C 13 40.029 0.3 . 1 . . . . . 893 MET CB . 53185 1 442 . 1 . 1 99 99 MET N N 15 118.347 0.3 . 1 . . . . . 893 MET N . 53185 1 443 . 1 . 1 100 100 ARG H H 1 9.559 0.020 . 1 . . . . . 894 ARG H . 53185 1 444 . 1 . 1 100 100 ARG HE H 1 8.405 0.020 . 1 . . . . . 894 ARG HE . 53185 1 445 . 1 . 1 100 100 ARG C C 13 172.404 0.3 . 1 . . . . . 894 ARG C . 53185 1 446 . 1 . 1 100 100 ARG CA C 13 55.864 0.3 . 1 . . . . . 894 ARG CA . 53185 1 447 . 1 . 1 100 100 ARG CB C 13 35.118 0.3 . 1 . . . . . 894 ARG CB . 53185 1 448 . 1 . 1 100 100 ARG N N 15 126.618 0.3 . 1 . . . . . 894 ARG N . 53185 1 449 . 1 . 1 100 100 ARG NE N 15 80.492 0.3 . 1 . . . . . 894 ARG NE . 53185 1 450 . 1 . 1 101 101 VAL H H 1 8.427 0.020 . 1 . . . . . 895 VAL H . 53185 1 451 . 1 . 1 101 101 VAL C C 13 175.838 0.3 . 1 . . . . . 895 VAL C . 53185 1 452 . 1 . 1 101 101 VAL CA C 13 61.828 0.3 . 1 . . . . . 895 VAL CA . 53185 1 453 . 1 . 1 101 101 VAL CB C 13 32.490 0.3 . 1 . . . . . 895 VAL CB . 53185 1 454 . 1 . 1 101 101 VAL N N 15 124.924 0.3 . 1 . . . . . 895 VAL N . 53185 1 455 . 1 . 1 102 102 VAL H H 1 9.163 0.020 . 1 . . . . . 896 VAL H . 53185 1 456 . 1 . 1 102 102 VAL C C 13 174.711 0.3 . 1 . . . . . 896 VAL C . 53185 1 457 . 1 . 1 102 102 VAL CA C 13 58.731 0.3 . 1 . . . . . 896 VAL CA . 53185 1 458 . 1 . 1 102 102 VAL CB C 13 35.620 0.3 . 1 . . . . . 896 VAL CB . 53185 1 459 . 1 . 1 102 102 VAL N N 15 123.448 0.3 . 1 . . . . . 896 VAL N . 53185 1 460 . 1 . 1 103 103 TYR H H 1 8.338 0.020 . 1 . . . . . 897 TYR H . 53185 1 461 . 1 . 1 103 103 TYR C C 13 176.346 0.3 . 1 . . . . . 897 TYR C . 53185 1 462 . 1 . 1 103 103 TYR CA C 13 59.584 0.3 . 1 . . . . . 897 TYR CA . 53185 1 463 . 1 . 1 103 103 TYR CB C 13 38.099 0.3 . 1 . . . . . 897 TYR CB . 53185 1 464 . 1 . 1 103 103 TYR N N 15 119.850 0.3 . 1 . . . . . 897 TYR N . 53185 1 465 . 1 . 1 104 104 LYS H H 1 7.890 0.020 . 1 . . . . . 898 LYS H . 53185 1 466 . 1 . 1 104 104 LYS C C 13 181.122 0.3 . 1 . . . . . 898 LYS C . 53185 1 467 . 1 . 1 104 104 LYS CA C 13 59.222 0.3 . 1 . . . . . 898 LYS CA . 53185 1 468 . 1 . 1 104 104 LYS CB C 13 32.833 0.3 . 1 . . . . . 898 LYS CB . 53185 1 469 . 1 . 1 104 104 LYS N N 15 127.226 0.3 . 1 . . . . . 898 LYS N . 53185 1 stop_ save_