################################### # 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 7376 _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 ; TROSY offset: amide nitrogens: 0.75; amide protons: 0.10. ; _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 TROSY' . . . 7376 1 2 '2D 1H-13C HMQC' . . . 7376 1 3 '3D CBCA(CO)NH' . . . 7376 1 4 '3D HNCACB' . . . 7376 1 5 '3D C(CO)NH' . . . 7376 1 6 '3D H(CCO)NH' . . . 7376 1 7 '3D HNCO' . . . 7376 1 8 '2D 1H-15N IPAP-HSQC' . . . 7376 1 9 '3D 1H-15N NOESY-TROSY' . . . 7376 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 $SPARKY . . 7376 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.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 2 2 ALA CA C 13 51.528 0.400 . 1 . . . . . 2 ALA CA . 7376 1 2 . 1 1 2 2 ALA CB C 13 18.910 0.400 . 1 . . . . . 2 ALA CB . 7376 1 3 . 1 1 3 3 GLU H H 1 8.660 0.020 . 1 . . . . . 3 GLU H . 7376 1 4 . 1 1 3 3 GLU C C 13 176.132 0.400 . 1 . . . . . 3 GLU C . 7376 1 5 . 1 1 3 3 GLU CA C 13 59.126 0.400 . 1 . . . . . 3 GLU CA . 7376 1 6 . 1 1 3 3 GLU CB C 13 28.842 0.400 . 1 . . . . . 3 GLU CB . 7376 1 7 . 1 1 3 3 GLU N N 15 120.962 0.400 . 1 . . . . . 3 GLU N . 7376 1 8 . 1 1 4 4 GLN H H 1 8.442 0.020 . 1 . . . . . 4 GLN H . 7376 1 9 . 1 1 4 4 GLN HE21 H 1 7.414 0.020 . 2 . . . . . 4 GLN HE21 . 7376 1 10 . 1 1 4 4 GLN HE22 H 1 6.798 0.020 . 2 . . . . . 4 GLN HE22 . 7376 1 11 . 1 1 4 4 GLN C C 13 175.591 0.400 . 1 . . . . . 4 GLN C . 7376 1 12 . 1 1 4 4 GLN CA C 13 55.755 0.400 . 1 . . . . . 4 GLN CA . 7376 1 13 . 1 1 4 4 GLN CB C 13 29.475 0.400 . 1 . . . . . 4 GLN CB . 7376 1 14 . 1 1 4 4 GLN N N 15 122.004 0.400 . 1 . . . . . 4 GLN N . 7376 1 15 . 1 1 4 4 GLN NE2 N 15 111.932 0.400 . 1 . . . . . 4 GLN NE2 . 7376 1 16 . 1 1 5 5 TYR H H 1 8.305 0.020 . 1 . . . . . 5 TYR H . 7376 1 17 . 1 1 5 5 TYR CA C 13 57.668 0.400 . 1 . . . . . 5 TYR CA . 7376 1 18 . 1 1 5 5 TYR CB C 13 38.067 0.400 . 1 . . . . . 5 TYR CB . 7376 1 19 . 1 1 5 5 TYR N N 15 121.338 0.400 . 1 . . . . . 5 TYR N . 7376 1 20 . 1 1 6 6 SER H H 1 7.988 0.020 . 1 . . . . . 6 SER H . 7376 1 21 . 1 1 6 6 SER C C 13 173.873 0.400 . 1 . . . . . 6 SER C . 7376 1 22 . 1 1 6 6 SER CA C 13 57.590 0.400 . 1 . . . . . 6 SER CA . 7376 1 23 . 1 1 6 6 SER CB C 13 63.618 0.400 . 1 . . . . . 6 SER CB . 7376 1 24 . 1 1 6 6 SER N N 15 118.236 0.400 . 1 . . . . . 6 SER N . 7376 1 25 . 1 1 7 7 GLU H H 1 8.286 0.020 . 1 . . . . . 7 GLU H . 7376 1 26 . 1 1 7 7 GLU C C 13 175.802 0.400 . 1 . . . . . 7 GLU C . 7376 1 27 . 1 1 7 7 GLU CA C 13 56.310 0.400 . 1 . . . . . 7 GLU CA . 7376 1 28 . 1 1 7 7 GLU CB C 13 29.880 0.400 . 1 . . . . . 7 GLU CB . 7376 1 29 . 1 1 7 7 GLU N N 15 123.020 0.400 . 1 . . . . . 7 GLU N . 7376 1 30 . 1 1 8 8 ILE H H 1 8.101 0.020 . 1 . . . . . 8 ILE H . 7376 1 31 . 1 1 8 8 ILE HD11 H 1 0.772 0.020 . 1 . . . . . 8 ILE HD1 . 7376 1 32 . 1 1 8 8 ILE HD12 H 1 0.772 0.020 . 1 . . . . . 8 ILE HD1 . 7376 1 33 . 1 1 8 8 ILE HD13 H 1 0.772 0.020 . 1 . . . . . 8 ILE HD1 . 7376 1 34 . 1 1 8 8 ILE C C 13 175.128 0.400 . 1 . . . . . 8 ILE C . 7376 1 35 . 1 1 8 8 ILE CA C 13 60.246 0.400 . 1 . . . . . 8 ILE CA . 7376 1 36 . 1 1 8 8 ILE CB C 13 37.568 0.400 . 1 . . . . . 8 ILE CB . 7376 1 37 . 1 1 8 8 ILE CD1 C 13 12.321 0.400 . 1 . . . . . 8 ILE CD1 . 7376 1 38 . 1 1 8 8 ILE N N 15 121.130 0.400 . 1 . . . . . 8 ILE N . 7376 1 39 . 1 1 9 9 ASN H H 1 8.196 0.020 . 1 . . . . . 9 ASN H . 7376 1 40 . 1 1 9 9 ASN HD21 H 1 7.618 0.020 . 2 . . . . . 9 ASN HD21 . 7376 1 41 . 1 1 9 9 ASN HD22 H 1 6.979 0.020 . 2 . . . . . 9 ASN HD22 . 7376 1 42 . 1 1 9 9 ASN C C 13 175.866 0.400 . 1 . . . . . 9 ASN C . 7376 1 43 . 1 1 9 9 ASN CA C 13 52.167 0.400 . 1 . . . . . 9 ASN CA . 7376 1 44 . 1 1 9 9 ASN CB C 13 39.337 0.400 . 1 . . . . . 9 ASN CB . 7376 1 45 . 1 1 9 9 ASN N N 15 122.870 0.400 . 1 . . . . . 9 ASN N . 7376 1 46 . 1 1 9 9 ASN ND2 N 15 113.347 0.400 . 1 . . . . . 9 ASN ND2 . 7376 1 47 . 1 1 10 10 THR H H 1 8.386 0.020 . 1 . . . . . 10 THR H . 7376 1 48 . 1 1 10 10 THR C C 13 175.845 0.400 . 1 . . . . . 10 THR C . 7376 1 49 . 1 1 10 10 THR CA C 13 65.246 0.400 . 1 . . . . . 10 THR CA . 7376 1 50 . 1 1 10 10 THR CB C 13 68.559 0.400 . 1 . . . . . 10 THR CB . 7376 1 51 . 1 1 10 10 THR N N 15 114.553 0.400 . 1 . . . . . 10 THR N . 7376 1 52 . 1 1 11 11 ASP H H 1 8.308 0.020 . 1 . . . . . 11 ASP H . 7376 1 53 . 1 1 11 11 ASP C C 13 178.296 0.400 . 1 . . . . . 11 ASP C . 7376 1 54 . 1 1 11 11 ASP CA C 13 56.037 0.400 . 1 . . . . . 11 ASP CA . 7376 1 55 . 1 1 11 11 ASP CB C 13 40.130 0.400 . 1 . . . . . 11 ASP CB . 7376 1 56 . 1 1 11 11 ASP N N 15 120.720 0.400 . 1 . . . . . 11 ASP N . 7376 1 57 . 1 1 12 12 THR H H 1 8.006 0.020 . 1 . . . . . 12 THR H . 7376 1 58 . 1 1 12 12 THR C C 13 176.239 0.400 . 1 . . . . . 12 THR C . 7376 1 59 . 1 1 12 12 THR CA C 13 67.269 0.400 . 1 . . . . . 12 THR CA . 7376 1 60 . 1 1 12 12 THR CB C 13 68.484 0.400 . 1 . . . . . 12 THR CB . 7376 1 61 . 1 1 12 12 THR N N 15 117.759 0.400 . 1 . . . . . 12 THR N . 7376 1 62 . 1 1 13 13 LEU H H 1 8.272 0.020 . 1 . . . . . 13 LEU H . 7376 1 63 . 1 1 13 13 LEU HD11 H 1 0.815 0.020 . 2 . . . . . 13 LEU HD1 . 7376 1 64 . 1 1 13 13 LEU HD12 H 1 0.815 0.020 . 2 . . . . . 13 LEU HD1 . 7376 1 65 . 1 1 13 13 LEU HD13 H 1 0.815 0.020 . 2 . . . . . 13 LEU HD1 . 7376 1 66 . 1 1 13 13 LEU HD21 H 1 0.640 0.020 . 2 . . . . . 13 LEU HD2 . 7376 1 67 . 1 1 13 13 LEU HD22 H 1 0.640 0.020 . 2 . . . . . 13 LEU HD2 . 7376 1 68 . 1 1 13 13 LEU HD23 H 1 0.640 0.020 . 2 . . . . . 13 LEU HD2 . 7376 1 69 . 1 1 13 13 LEU C C 13 180.407 0.400 . 1 . . . . . 13 LEU C . 7376 1 70 . 1 1 13 13 LEU CA C 13 57.840 0.400 . 1 . . . . . 13 LEU CA . 7376 1 71 . 1 1 13 13 LEU CB C 13 40.302 0.400 . 1 . . . . . 13 LEU CB . 7376 1 72 . 1 1 13 13 LEU CD1 C 13 25.510 0.400 . 1 . . . . . 13 LEU CD1 . 7376 1 73 . 1 1 13 13 LEU CD2 C 13 21.609 0.400 . 1 . . . . . 13 LEU CD2 . 7376 1 74 . 1 1 13 13 LEU N N 15 118.959 0.400 . 1 . . . . . 13 LEU N . 7376 1 75 . 1 1 14 14 GLU H H 1 8.729 0.020 . 1 . . . . . 14 GLU H . 7376 1 76 . 1 1 14 14 GLU C C 13 178.695 0.400 . 1 . . . . . 14 GLU C . 7376 1 77 . 1 1 14 14 GLU CA C 13 59.852 0.400 . 1 . . . . . 14 GLU CA . 7376 1 78 . 1 1 14 14 GLU CB C 13 28.379 0.400 . 1 . . . . . 14 GLU CB . 7376 1 79 . 1 1 14 14 GLU N N 15 123.406 0.400 . 1 . . . . . 14 GLU N . 7376 1 80 . 1 1 15 15 ARG H H 1 8.034 0.020 . 1 . . . . . 15 ARG H . 7376 1 81 . 1 1 15 15 ARG C C 13 179.900 0.400 . 1 . . . . . 15 ARG C . 7376 1 82 . 1 1 15 15 ARG CA C 13 59.594 0.400 . 1 . . . . . 15 ARG CA . 7376 1 83 . 1 1 15 15 ARG CB C 13 30.442 0.400 . 1 . . . . . 15 ARG CB . 7376 1 84 . 1 1 15 15 ARG N N 15 119.860 0.400 . 1 . . . . . 15 ARG N . 7376 1 85 . 1 1 16 16 VAL H H 1 8.635 0.020 . 1 . . . . . 16 VAL H . 7376 1 86 . 1 1 16 16 VAL HG11 H 1 0.906 0.020 . 2 . . . . . 16 VAL HG1 . 7376 1 87 . 1 1 16 16 VAL HG12 H 1 0.906 0.020 . 2 . . . . . 16 VAL HG1 . 7376 1 88 . 1 1 16 16 VAL HG13 H 1 0.906 0.020 . 2 . . . . . 16 VAL HG1 . 7376 1 89 . 1 1 16 16 VAL HG21 H 1 0.922 0.020 . 2 . . . . . 16 VAL HG2 . 7376 1 90 . 1 1 16 16 VAL HG22 H 1 0.922 0.020 . 2 . . . . . 16 VAL HG2 . 7376 1 91 . 1 1 16 16 VAL HG23 H 1 0.922 0.020 . 2 . . . . . 16 VAL HG2 . 7376 1 92 . 1 1 16 16 VAL C C 13 176.745 0.400 . 1 . . . . . 16 VAL C . 7376 1 93 . 1 1 16 16 VAL CA C 13 66.485 0.400 . 1 . . . . . 16 VAL CA . 7376 1 94 . 1 1 16 16 VAL CB C 13 31.291 0.400 . 1 . . . . . 16 VAL CB . 7376 1 95 . 1 1 16 16 VAL CG1 C 13 23.180 0.400 . 1 . . . . . 16 VAL CG1 . 7376 1 96 . 1 1 16 16 VAL CG2 C 13 24.344 0.400 . 1 . . . . . 16 VAL CG2 . 7376 1 97 . 1 1 16 16 VAL N N 15 119.936 0.400 . 1 . . . . . 16 VAL N . 7376 1 98 . 1 1 17 17 THR H H 1 8.002 0.020 . 1 . . . . . 17 THR H . 7376 1 99 . 1 1 17 17 THR C C 13 176.289 0.400 . 1 . . . . . 17 THR C . 7376 1 100 . 1 1 17 17 THR CA C 13 67.129 0.400 . 1 . . . . . 17 THR CA . 7376 1 101 . 1 1 17 17 THR N N 15 116.881 0.400 . 1 . . . . . 17 THR N . 7376 1 102 . 1 1 18 18 GLU H H 1 7.761 0.020 . 1 . . . . . 18 GLU H . 7376 1 103 . 1 1 18 18 GLU C C 13 179.598 0.400 . 1 . . . . . 18 GLU C . 7376 1 104 . 1 1 18 18 GLU CA C 13 59.017 0.400 . 1 . . . . . 18 GLU CA . 7376 1 105 . 1 1 18 18 GLU CB C 13 28.808 0.400 . 1 . . . . . 18 GLU CB . 7376 1 106 . 1 1 18 18 GLU N N 15 119.241 0.400 . 1 . . . . . 18 GLU N . 7376 1 107 . 1 1 19 19 ILE H H 1 7.799 0.020 . 1 . . . . . 19 ILE H . 7376 1 108 . 1 1 19 19 ILE HD11 H 1 0.853 0.020 . 1 . . . . . 19 ILE HD1 . 7376 1 109 . 1 1 19 19 ILE HD12 H 1 0.853 0.020 . 1 . . . . . 19 ILE HD1 . 7376 1 110 . 1 1 19 19 ILE HD13 H 1 0.853 0.020 . 1 . . . . . 19 ILE HD1 . 7376 1 111 . 1 1 19 19 ILE C C 13 176.657 0.400 . 1 . . . . . 19 ILE C . 7376 1 112 . 1 1 19 19 ILE CA C 13 66.080 0.400 . 1 . . . . . 19 ILE CA . 7376 1 113 . 1 1 19 19 ILE CB C 13 37.240 0.400 . 1 . . . . . 19 ILE CB . 7376 1 114 . 1 1 19 19 ILE CD1 C 13 13.667 0.400 . 1 . . . . . 19 ILE CD1 . 7376 1 115 . 1 1 19 19 ILE N N 15 121.411 0.400 . 1 . . . . . 19 ILE N . 7376 1 116 . 1 1 20 20 PHE H H 1 7.733 0.020 . 1 . . . . . 20 PHE H . 7376 1 117 . 1 1 20 20 PHE C C 13 178.671 0.400 . 1 . . . . . 20 PHE C . 7376 1 118 . 1 1 20 20 PHE CA C 13 60.266 0.400 . 1 . . . . . 20 PHE CA . 7376 1 119 . 1 1 20 20 PHE CB C 13 37.198 0.400 . 1 . . . . . 20 PHE CB . 7376 1 120 . 1 1 20 20 PHE N N 15 116.893 0.400 . 1 . . . . . 20 PHE N . 7376 1 121 . 1 1 21 21 LYS H H 1 8.877 0.020 . 1 . . . . . 21 LYS H . 7376 1 122 . 1 1 21 21 LYS C C 13 180.246 0.400 . 1 . . . . . 21 LYS C . 7376 1 123 . 1 1 21 21 LYS CA C 13 59.922 0.400 . 1 . . . . . 21 LYS CA . 7376 1 124 . 1 1 21 21 LYS CB C 13 32.472 0.400 . 1 . . . . . 21 LYS CB . 7376 1 125 . 1 1 21 21 LYS N N 15 118.839 0.400 . 1 . . . . . 21 LYS N . 7376 1 126 . 1 1 22 22 ALA H H 1 7.825 0.020 . 1 . . . . . 22 ALA H . 7376 1 127 . 1 1 22 22 ALA C C 13 178.968 0.400 . 1 . . . . . 22 ALA C . 7376 1 128 . 1 1 22 22 ALA CA C 13 54.354 0.400 . 1 . . . . . 22 ALA CA . 7376 1 129 . 1 1 22 22 ALA CB C 13 18.530 0.400 . 1 . . . . . 22 ALA CB . 7376 1 130 . 1 1 22 22 ALA N N 15 120.697 0.400 . 1 . . . . . 22 ALA N . 7376 1 131 . 1 1 23 23 LEU H H 1 7.348 0.020 . 1 . . . . . 23 LEU H . 7376 1 132 . 1 1 23 23 LEU HD11 H 1 0.067 0.020 . 2 . . . . . 23 LEU HD1 . 7376 1 133 . 1 1 23 23 LEU HD12 H 1 0.067 0.020 . 2 . . . . . 23 LEU HD1 . 7376 1 134 . 1 1 23 23 LEU HD13 H 1 0.067 0.020 . 2 . . . . . 23 LEU HD1 . 7376 1 135 . 1 1 23 23 LEU HD21 H 1 0.503 0.020 . 2 . . . . . 23 LEU HD2 . 7376 1 136 . 1 1 23 23 LEU HD22 H 1 0.503 0.020 . 2 . . . . . 23 LEU HD2 . 7376 1 137 . 1 1 23 23 LEU HD23 H 1 0.503 0.020 . 2 . . . . . 23 LEU HD2 . 7376 1 138 . 1 1 23 23 LEU C C 13 176.310 0.400 . 1 . . . . . 23 LEU C . 7376 1 139 . 1 1 23 23 LEU CA C 13 54.594 0.400 . 1 . . . . . 23 LEU CA . 7376 1 140 . 1 1 23 23 LEU CB C 13 41.385 0.400 . 1 . . . . . 23 LEU CB . 7376 1 141 . 1 1 23 23 LEU CD1 C 13 25.209 0.400 . 1 . . . . . 23 LEU CD1 . 7376 1 142 . 1 1 23 23 LEU CD2 C 13 23.473 0.400 . 1 . . . . . 23 LEU CD2 . 7376 1 143 . 1 1 23 23 LEU N N 15 116.566 0.400 . 1 . . . . . 23 LEU N . 7376 1 144 . 1 1 24 24 GLY H H 1 7.541 0.020 . 1 . . . . . 24 GLY H . 7376 1 145 . 1 1 24 24 GLY C C 13 173.873 0.400 . 1 . . . . . 24 GLY C . 7376 1 146 . 1 1 24 24 GLY CA C 13 46.971 0.400 . 1 . . . . . 24 GLY CA . 7376 1 147 . 1 1 24 24 GLY N N 15 105.416 0.400 . 1 . . . . . 24 GLY N . 7376 1 148 . 1 1 25 25 ASP H H 1 8.266 0.020 . 1 . . . . . 25 ASP H . 7376 1 149 . 1 1 25 25 ASP C C 13 174.142 0.400 . 1 . . . . . 25 ASP C . 7376 1 150 . 1 1 25 25 ASP CA C 13 53.874 0.400 . 1 . . . . . 25 ASP CA . 7376 1 151 . 1 1 25 25 ASP CB C 13 45.317 0.400 . 1 . . . . . 25 ASP CB . 7376 1 152 . 1 1 25 25 ASP N N 15 123.520 0.400 . 1 . . . . . 25 ASP N . 7376 1 153 . 1 1 26 26 TYR H H 1 8.991 0.020 . 1 . . . . . 26 TYR H . 7376 1 154 . 1 1 26 26 TYR C C 13 176.849 0.400 . 1 . . . . . 26 TYR C . 7376 1 155 . 1 1 26 26 TYR CA C 13 60.771 0.400 . 1 . . . . . 26 TYR CA . 7376 1 156 . 1 1 26 26 TYR CB C 13 39.047 0.400 . 1 . . . . . 26 TYR CB . 7376 1 157 . 1 1 26 26 TYR N N 15 128.727 0.400 . 1 . . . . . 26 TYR N . 7376 1 158 . 1 1 27 27 ASN H H 1 8.293 0.020 . 1 . . . . . 27 ASN H . 7376 1 159 . 1 1 27 27 ASN C C 13 178.604 0.400 . 1 . . . . . 27 ASN C . 7376 1 160 . 1 1 27 27 ASN CA C 13 56.002 0.400 . 1 . . . . . 27 ASN CA . 7376 1 161 . 1 1 27 27 ASN CB C 13 37.329 0.400 . 1 . . . . . 27 ASN CB . 7376 1 162 . 1 1 27 27 ASN N N 15 116.700 0.400 . 1 . . . . . 27 ASN N . 7376 1 163 . 1 1 28 28 ARG H H 1 8.783 0.020 . 1 . . . . . 28 ARG H . 7376 1 164 . 1 1 28 28 ARG C C 13 178.326 0.400 . 1 . . . . . 28 ARG C . 7376 1 165 . 1 1 28 28 ARG CA C 13 56.845 0.400 . 1 . . . . . 28 ARG CA . 7376 1 166 . 1 1 28 28 ARG CB C 13 30.065 0.400 . 1 . . . . . 28 ARG CB . 7376 1 167 . 1 1 28 28 ARG N N 15 119.822 0.400 . 1 . . . . . 28 ARG N . 7376 1 168 . 1 1 29 29 ILE H H 1 7.349 0.020 . 1 . . . . . 29 ILE H . 7376 1 169 . 1 1 29 29 ILE HD11 H 1 0.967 0.020 . 1 . . . . . 29 ILE HD1 . 7376 1 170 . 1 1 29 29 ILE HD12 H 1 0.967 0.020 . 1 . . . . . 29 ILE HD1 . 7376 1 171 . 1 1 29 29 ILE HD13 H 1 0.967 0.020 . 1 . . . . . 29 ILE HD1 . 7376 1 172 . 1 1 29 29 ILE C C 13 178.117 0.400 . 1 . . . . . 29 ILE C . 7376 1 173 . 1 1 29 29 ILE CA C 13 62.086 0.400 . 1 . . . . . 29 ILE CA . 7376 1 174 . 1 1 29 29 ILE CB C 13 34.447 0.400 . 1 . . . . . 29 ILE CB . 7376 1 175 . 1 1 29 29 ILE CD1 C 13 13.905 0.400 . 1 . . . . . 29 ILE CD1 . 7376 1 176 . 1 1 29 29 ILE N N 15 121.482 0.400 . 1 . . . . . 29 ILE N . 7376 1 177 . 1 1 30 30 ARG H H 1 8.133 0.020 . 1 . . . . . 30 ARG H . 7376 1 178 . 1 1 30 30 ARG C C 13 179.823 0.400 . 1 . . . . . 30 ARG C . 7376 1 179 . 1 1 30 30 ARG CA C 13 60.327 0.400 . 1 . . . . . 30 ARG CA . 7376 1 180 . 1 1 30 30 ARG CB C 13 30.870 0.400 . 1 . . . . . 30 ARG CB . 7376 1 181 . 1 1 30 30 ARG N N 15 120.775 0.400 . 1 . . . . . 30 ARG N . 7376 1 182 . 1 1 31 31 ILE H H 1 7.877 0.020 . 1 . . . . . 31 ILE H . 7376 1 183 . 1 1 31 31 ILE HD11 H 1 0.596 0.020 . 1 . . . . . 31 ILE HD1 . 7376 1 184 . 1 1 31 31 ILE HD12 H 1 0.596 0.020 . 1 . . . . . 31 ILE HD1 . 7376 1 185 . 1 1 31 31 ILE HD13 H 1 0.596 0.020 . 1 . . . . . 31 ILE HD1 . 7376 1 186 . 1 1 31 31 ILE C C 13 176.735 0.400 . 1 . . . . . 31 ILE C . 7376 1 187 . 1 1 31 31 ILE CA C 13 65.861 0.400 . 1 . . . . . 31 ILE CA . 7376 1 188 . 1 1 31 31 ILE CB C 13 37.745 0.400 . 1 . . . . . 31 ILE CB . 7376 1 189 . 1 1 31 31 ILE CD1 C 13 13.905 0.400 . 1 . . . . . 31 ILE CD1 . 7376 1 190 . 1 1 31 31 ILE N N 15 119.883 0.400 . 1 . . . . . 31 ILE N . 7376 1 191 . 1 1 32 32 MET H H 1 8.302 0.020 . 1 . . . . . 32 MET H . 7376 1 192 . 1 1 32 32 MET C C 13 178.256 0.400 . 1 . . . . . 32 MET C . 7376 1 193 . 1 1 32 32 MET CA C 13 56.536 0.400 . 1 . . . . . 32 MET CA . 7376 1 194 . 1 1 32 32 MET CB C 13 38.960 0.400 . 1 . . . . . 32 MET CB . 7376 1 195 . 1 1 32 32 MET N N 15 117.443 0.400 . 1 . . . . . 32 MET N . 7376 1 196 . 1 1 33 33 GLU H H 1 9.039 0.020 . 1 . . . . . 33 GLU H . 7376 1 197 . 1 1 33 33 GLU C C 13 179.555 0.400 . 1 . . . . . 33 GLU C . 7376 1 198 . 1 1 33 33 GLU CA C 13 58.919 0.400 . 1 . . . . . 33 GLU CA . 7376 1 199 . 1 1 33 33 GLU CB C 13 27.531 0.400 . 1 . . . . . 33 GLU CB . 7376 1 200 . 1 1 33 33 GLU N N 15 119.060 0.400 . 1 . . . . . 33 GLU N . 7376 1 201 . 1 1 34 34 LEU H H 1 7.706 0.020 . 1 . . . . . 34 LEU H . 7376 1 202 . 1 1 34 34 LEU HD11 H 1 0.820 0.020 . 2 . . . . . 34 LEU HD1 . 7376 1 203 . 1 1 34 34 LEU HD12 H 1 0.820 0.020 . 2 . . . . . 34 LEU HD1 . 7376 1 204 . 1 1 34 34 LEU HD13 H 1 0.820 0.020 . 2 . . . . . 34 LEU HD1 . 7376 1 205 . 1 1 34 34 LEU HD21 H 1 0.828 0.020 . 2 . . . . . 34 LEU HD2 . 7376 1 206 . 1 1 34 34 LEU HD22 H 1 0.828 0.020 . 2 . . . . . 34 LEU HD2 . 7376 1 207 . 1 1 34 34 LEU HD23 H 1 0.828 0.020 . 2 . . . . . 34 LEU HD2 . 7376 1 208 . 1 1 34 34 LEU C C 13 179.936 0.400 . 1 . . . . . 34 LEU C . 7376 1 209 . 1 1 34 34 LEU CA C 13 59.050 0.400 . 1 . . . . . 34 LEU CA . 7376 1 210 . 1 1 34 34 LEU CB C 13 41.383 0.400 . 1 . . . . . 34 LEU CB . 7376 1 211 . 1 1 34 34 LEU CD1 C 13 26.639 0.400 . 1 . . . . . 34 LEU CD1 . 7376 1 212 . 1 1 34 34 LEU CD2 C 13 26.545 0.400 . 1 . . . . . 34 LEU CD2 . 7376 1 213 . 1 1 34 34 LEU N N 15 123.671 0.400 . 1 . . . . . 34 LEU N . 7376 1 214 . 1 1 35 35 LEU H H 1 8.143 0.020 . 1 . . . . . 35 LEU H . 7376 1 215 . 1 1 35 35 LEU HD11 H 1 0.931 0.020 . 2 . . . . . 35 LEU HD1 . 7376 1 216 . 1 1 35 35 LEU HD12 H 1 0.931 0.020 . 2 . . . . . 35 LEU HD1 . 7376 1 217 . 1 1 35 35 LEU HD13 H 1 0.931 0.020 . 2 . . . . . 35 LEU HD1 . 7376 1 218 . 1 1 35 35 LEU HD21 H 1 0.639 0.020 . 2 . . . . . 35 LEU HD2 . 7376 1 219 . 1 1 35 35 LEU HD22 H 1 0.639 0.020 . 2 . . . . . 35 LEU HD2 . 7376 1 220 . 1 1 35 35 LEU HD23 H 1 0.639 0.020 . 2 . . . . . 35 LEU HD2 . 7376 1 221 . 1 1 35 35 LEU C C 13 178.730 0.400 . 1 . . . . . 35 LEU C . 7376 1 222 . 1 1 35 35 LEU CA C 13 55.498 0.400 . 1 . . . . . 35 LEU CA . 7376 1 223 . 1 1 35 35 LEU CB C 13 41.420 0.400 . 1 . . . . . 35 LEU CB . 7376 1 224 . 1 1 35 35 LEU CD1 C 13 23.277 0.400 . 1 . . . . . 35 LEU CD1 . 7376 1 225 . 1 1 35 35 LEU CD2 C 13 26.893 0.400 . 1 . . . . . 35 LEU CD2 . 7376 1 226 . 1 1 35 35 LEU N N 15 119.074 0.400 . 1 . . . . . 35 LEU N . 7376 1 227 . 1 1 36 36 SER H H 1 8.065 0.020 . 1 . . . . . 36 SER H . 7376 1 228 . 1 1 36 36 SER C C 13 174.950 0.400 . 1 . . . . . 36 SER C . 7376 1 229 . 1 1 36 36 SER CA C 13 60.551 0.400 . 1 . . . . . 36 SER CA . 7376 1 230 . 1 1 36 36 SER CB C 13 62.350 0.400 . 1 . . . . . 36 SER CB . 7376 1 231 . 1 1 36 36 SER N N 15 115.691 0.400 . 1 . . . . . 36 SER N . 7376 1 232 . 1 1 37 37 VAL H H 1 7.498 0.020 . 1 . . . . . 37 VAL H . 7376 1 233 . 1 1 37 37 VAL HG11 H 1 0.996 0.020 . 2 . . . . . 37 VAL HG1 . 7376 1 234 . 1 1 37 37 VAL HG12 H 1 0.996 0.020 . 2 . . . . . 37 VAL HG1 . 7376 1 235 . 1 1 37 37 VAL HG13 H 1 0.996 0.020 . 2 . . . . . 37 VAL HG1 . 7376 1 236 . 1 1 37 37 VAL HG21 H 1 1.065 0.020 . 2 . . . . . 37 VAL HG2 . 7376 1 237 . 1 1 37 37 VAL HG22 H 1 1.065 0.020 . 2 . . . . . 37 VAL HG2 . 7376 1 238 . 1 1 37 37 VAL HG23 H 1 1.065 0.020 . 2 . . . . . 37 VAL HG2 . 7376 1 239 . 1 1 37 37 VAL C C 13 176.694 0.400 . 1 . . . . . 37 VAL C . 7376 1 240 . 1 1 37 37 VAL CA C 13 64.268 0.400 . 1 . . . . . 37 VAL CA . 7376 1 241 . 1 1 37 37 VAL CB C 13 32.121 0.400 . 1 . . . . . 37 VAL CB . 7376 1 242 . 1 1 37 37 VAL CG1 C 13 21.274 0.400 . 1 . . . . . 37 VAL CG1 . 7376 1 243 . 1 1 37 37 VAL CG2 C 13 21.517 0.400 . 1 . . . . . 37 VAL CG2 . 7376 1 244 . 1 1 37 37 VAL N N 15 122.972 0.400 . 1 . . . . . 37 VAL N . 7376 1 245 . 1 1 38 38 SER H H 1 7.883 0.020 . 1 . . . . . 38 SER H . 7376 1 246 . 1 1 38 38 SER C C 13 172.168 0.400 . 1 . . . . . 38 SER C . 7376 1 247 . 1 1 38 38 SER CA C 13 57.196 0.400 . 1 . . . . . 38 SER CA . 7376 1 248 . 1 1 38 38 SER CB C 13 65.193 0.400 . 1 . . . . . 38 SER CB . 7376 1 249 . 1 1 38 38 SER N N 15 114.026 0.400 . 1 . . . . . 38 SER N . 7376 1 250 . 1 1 39 39 GLU H H 1 8.145 0.020 . 1 . . . . . 39 GLU H . 7376 1 251 . 1 1 39 39 GLU C C 13 176.876 0.400 . 1 . . . . . 39 GLU C . 7376 1 252 . 1 1 39 39 GLU CA C 13 56.675 0.400 . 1 . . . . . 39 GLU CA . 7376 1 253 . 1 1 39 39 GLU CB C 13 28.889 0.400 . 1 . . . . . 39 GLU CB . 7376 1 254 . 1 1 39 39 GLU N N 15 122.337 0.400 . 1 . . . . . 39 GLU N . 7376 1 255 . 1 1 40 40 ALA H H 1 8.461 0.020 . 1 . . . . . 40 ALA H . 7376 1 256 . 1 1 40 40 ALA C C 13 176.051 0.400 . 1 . . . . . 40 ALA C . 7376 1 257 . 1 1 40 40 ALA CA C 13 51.669 0.400 . 1 . . . . . 40 ALA CA . 7376 1 258 . 1 1 40 40 ALA CB C 13 24.137 0.400 . 1 . . . . . 40 ALA CB . 7376 1 259 . 1 1 40 40 ALA N N 15 122.408 0.400 . 1 . . . . . 40 ALA N . 7376 1 260 . 1 1 41 41 SER H H 1 8.568 0.020 . 1 . . . . . 41 SER H . 7376 1 261 . 1 1 41 41 SER C C 13 175.218 0.400 . 1 . . . . . 41 SER C . 7376 1 262 . 1 1 41 41 SER CA C 13 55.964 0.400 . 1 . . . . . 41 SER CA . 7376 1 263 . 1 1 41 41 SER CB C 13 65.397 0.400 . 1 . . . . . 41 SER CB . 7376 1 264 . 1 1 41 41 SER N N 15 116.858 0.400 . 1 . . . . . 41 SER N . 7376 1 265 . 1 1 42 42 VAL H H 1 9.294 0.020 . 1 . . . . . 42 VAL H . 7376 1 266 . 1 1 42 42 VAL HG11 H 1 0.944 0.020 . 2 . . . . . 42 VAL HG1 . 7376 1 267 . 1 1 42 42 VAL HG12 H 1 0.944 0.020 . 2 . . . . . 42 VAL HG1 . 7376 1 268 . 1 1 42 42 VAL HG13 H 1 0.944 0.020 . 2 . . . . . 42 VAL HG1 . 7376 1 269 . 1 1 42 42 VAL HG21 H 1 1.110 0.020 . 2 . . . . . 42 VAL HG2 . 7376 1 270 . 1 1 42 42 VAL HG22 H 1 1.110 0.020 . 2 . . . . . 42 VAL HG2 . 7376 1 271 . 1 1 42 42 VAL HG23 H 1 1.110 0.020 . 2 . . . . . 42 VAL HG2 . 7376 1 272 . 1 1 42 42 VAL C C 13 178.668 0.400 . 1 . . . . . 42 VAL C . 7376 1 273 . 1 1 42 42 VAL CA C 13 67.029 0.400 . 1 . . . . . 42 VAL CA . 7376 1 274 . 1 1 42 42 VAL CB C 13 31.434 0.400 . 1 . . . . . 42 VAL CB . 7376 1 275 . 1 1 42 42 VAL CG1 C 13 21.049 0.400 . 1 . . . . . 42 VAL CG1 . 7376 1 276 . 1 1 42 42 VAL CG2 C 13 23.667 0.400 . 1 . . . . . 42 VAL CG2 . 7376 1 277 . 1 1 42 42 VAL N N 15 120.527 0.400 . 1 . . . . . 42 VAL N . 7376 1 278 . 1 1 43 43 GLY H H 1 8.858 0.020 . 1 . . . . . 43 GLY H . 7376 1 279 . 1 1 43 43 GLY C C 13 176.200 0.400 . 1 . . . . . 43 GLY C . 7376 1 280 . 1 1 43 43 GLY CA C 13 46.747 0.400 . 1 . . . . . 43 GLY CA . 7376 1 281 . 1 1 43 43 GLY N N 15 108.474 0.400 . 1 . . . . . 43 GLY N . 7376 1 282 . 1 1 44 44 HIS H H 1 7.951 0.020 . 1 . . . . . 44 HIS H . 7376 1 283 . 1 1 44 44 HIS C C 13 177.454 0.400 . 1 . . . . . 44 HIS C . 7376 1 284 . 1 1 44 44 HIS CA C 13 59.043 0.400 . 1 . . . . . 44 HIS CA . 7376 1 285 . 1 1 44 44 HIS CB C 13 30.592 0.400 . 1 . . . . . 44 HIS CB . 7376 1 286 . 1 1 44 44 HIS N N 15 122.448 0.400 . 1 . . . . . 44 HIS N . 7376 1 287 . 1 1 45 45 ILE H H 1 8.369 0.020 . 1 . . . . . 45 ILE H . 7376 1 288 . 1 1 45 45 ILE HD11 H 1 0.692 0.020 . 1 . . . . . 45 ILE HD1 . 7376 1 289 . 1 1 45 45 ILE HD12 H 1 0.692 0.020 . 1 . . . . . 45 ILE HD1 . 7376 1 290 . 1 1 45 45 ILE HD13 H 1 0.692 0.020 . 1 . . . . . 45 ILE HD1 . 7376 1 291 . 1 1 45 45 ILE C C 13 177.292 0.400 . 1 . . . . . 45 ILE C . 7376 1 292 . 1 1 45 45 ILE CA C 13 65.472 0.400 . 1 . . . . . 45 ILE CA . 7376 1 293 . 1 1 45 45 ILE CB C 13 38.637 0.400 . 1 . . . . . 45 ILE CB . 7376 1 294 . 1 1 45 45 ILE CD1 C 13 14.023 0.400 . 1 . . . . . 45 ILE CD1 . 7376 1 295 . 1 1 45 45 ILE N N 15 119.268 0.400 . 1 . . . . . 45 ILE N . 7376 1 296 . 1 1 46 46 SER H H 1 8.427 0.020 . 1 . . . . . 46 SER H . 7376 1 297 . 1 1 46 46 SER C C 13 175.545 0.400 . 1 . . . . . 46 SER C . 7376 1 298 . 1 1 46 46 SER CA C 13 61.653 0.400 . 1 . . . . . 46 SER CA . 7376 1 299 . 1 1 46 46 SER CB C 13 63.088 0.400 . 1 . . . . . 46 SER CB . 7376 1 300 . 1 1 46 46 SER N N 15 112.427 0.400 . 1 . . . . . 46 SER N . 7376 1 301 . 1 1 47 47 HIS H H 1 7.994 0.020 . 1 . . . . . 47 HIS H . 7376 1 302 . 1 1 47 47 HIS C C 13 177.485 0.400 . 1 . . . . . 47 HIS C . 7376 1 303 . 1 1 47 47 HIS CA C 13 57.892 0.400 . 1 . . . . . 47 HIS CA . 7376 1 304 . 1 1 47 47 HIS CB C 13 28.653 0.400 . 1 . . . . . 47 HIS CB . 7376 1 305 . 1 1 47 47 HIS N N 15 117.947 0.400 . 1 . . . . . 47 HIS N . 7376 1 306 . 1 1 48 48 GLN H H 1 8.187 0.020 . 1 . . . . . 48 GLN H . 7376 1 307 . 1 1 48 48 GLN HE21 H 1 7.295 0.020 . 2 . . . . . 48 GLN HE21 . 7376 1 308 . 1 1 48 48 GLN HE22 H 1 6.920 0.020 . 2 . . . . . 48 GLN HE22 . 7376 1 309 . 1 1 48 48 GLN C C 13 177.669 0.400 . 1 . . . . . 48 GLN C . 7376 1 310 . 1 1 48 48 GLN CA C 13 58.753 0.400 . 1 . . . . . 48 GLN CA . 7376 1 311 . 1 1 48 48 GLN CB C 13 28.645 0.400 . 1 . . . . . 48 GLN CB . 7376 1 312 . 1 1 48 48 GLN N N 15 116.107 0.400 . 1 . . . . . 48 GLN N . 7376 1 313 . 1 1 48 48 GLN NE2 N 15 112.059 0.400 . 1 . . . . . 48 GLN NE2 . 7376 1 314 . 1 1 49 49 LEU H H 1 7.829 0.020 . 1 . . . . . 49 LEU H . 7376 1 315 . 1 1 49 49 LEU HD11 H 1 0.620 0.020 . 2 . . . . . 49 LEU HD1 . 7376 1 316 . 1 1 49 49 LEU HD12 H 1 0.620 0.020 . 2 . . . . . 49 LEU HD1 . 7376 1 317 . 1 1 49 49 LEU HD13 H 1 0.620 0.020 . 2 . . . . . 49 LEU HD1 . 7376 1 318 . 1 1 49 49 LEU HD21 H 1 0.733 0.020 . 2 . . . . . 49 LEU HD2 . 7376 1 319 . 1 1 49 49 LEU HD22 H 1 0.733 0.020 . 2 . . . . . 49 LEU HD2 . 7376 1 320 . 1 1 49 49 LEU HD23 H 1 0.733 0.020 . 2 . . . . . 49 LEU HD2 . 7376 1 321 . 1 1 49 49 LEU C C 13 176.969 0.400 . 1 . . . . . 49 LEU C . 7376 1 322 . 1 1 49 49 LEU CA C 13 53.603 0.400 . 1 . . . . . 49 LEU CA . 7376 1 323 . 1 1 49 49 LEU CB C 13 41.611 0.400 . 1 . . . . . 49 LEU CB . 7376 1 324 . 1 1 49 49 LEU CD1 C 13 27.509 0.400 . 1 . . . . . 49 LEU CD1 . 7376 1 325 . 1 1 49 49 LEU CD2 C 13 22.299 0.400 . 1 . . . . . 49 LEU CD2 . 7376 1 326 . 1 1 49 49 LEU N N 15 113.143 0.400 . 1 . . . . . 49 LEU N . 7376 1 327 . 1 1 50 50 ASN H H 1 7.735 0.020 . 1 . . . . . 50 ASN H . 7376 1 328 . 1 1 50 50 ASN HD21 H 1 7.450 0.020 . 2 . . . . . 50 ASN HD21 . 7376 1 329 . 1 1 50 50 ASN HD22 H 1 6.750 0.020 . 2 . . . . . 50 ASN HD22 . 7376 1 330 . 1 1 50 50 ASN C C 13 173.957 0.400 . 1 . . . . . 50 ASN C . 7376 1 331 . 1 1 50 50 ASN CA C 13 53.898 0.400 . 1 . . . . . 50 ASN CA . 7376 1 332 . 1 1 50 50 ASN CB C 13 36.689 0.400 . 1 . . . . . 50 ASN CB . 7376 1 333 . 1 1 50 50 ASN N N 15 117.408 0.400 . 1 . . . . . 50 ASN N . 7376 1 334 . 1 1 50 50 ASN ND2 N 15 111.850 0.400 . 1 . . . . . 50 ASN ND2 . 7376 1 335 . 1 1 51 51 LEU H H 1 7.761 0.020 . 1 . . . . . 51 LEU H . 7376 1 336 . 1 1 51 51 LEU HD11 H 1 0.657 0.020 . 2 . . . . . 51 LEU HD1 . 7376 1 337 . 1 1 51 51 LEU HD12 H 1 0.657 0.020 . 2 . . . . . 51 LEU HD1 . 7376 1 338 . 1 1 51 51 LEU HD13 H 1 0.657 0.020 . 2 . . . . . 51 LEU HD1 . 7376 1 339 . 1 1 51 51 LEU HD21 H 1 0.875 0.020 . 2 . . . . . 51 LEU HD2 . 7376 1 340 . 1 1 51 51 LEU HD22 H 1 0.875 0.020 . 2 . . . . . 51 LEU HD2 . 7376 1 341 . 1 1 51 51 LEU HD23 H 1 0.875 0.020 . 2 . . . . . 51 LEU HD2 . 7376 1 342 . 1 1 51 51 LEU C C 13 176.366 0.400 . 1 . . . . . 51 LEU C . 7376 1 343 . 1 1 51 51 LEU CA C 13 52.136 0.400 . 1 . . . . . 51 LEU CA . 7376 1 344 . 1 1 51 51 LEU CB C 13 47.725 0.400 . 1 . . . . . 51 LEU CB . 7376 1 345 . 1 1 51 51 LEU CD1 C 13 25.275 0.400 . 1 . . . . . 51 LEU CD1 . 7376 1 346 . 1 1 51 51 LEU CD2 C 13 22.822 0.400 . 1 . . . . . 51 LEU CD2 . 7376 1 347 . 1 1 51 51 LEU N N 15 118.000 0.400 . 1 . . . . . 51 LEU N . 7376 1 348 . 1 1 52 52 SER H H 1 8.933 0.020 . 1 . . . . . 52 SER H . 7376 1 349 . 1 1 52 52 SER C C 13 175.245 0.400 . 1 . . . . . 52 SER C . 7376 1 350 . 1 1 52 52 SER CA C 13 57.559 0.400 . 1 . . . . . 52 SER CA . 7376 1 351 . 1 1 52 52 SER CB C 13 63.874 0.400 . 1 . . . . . 52 SER CB . 7376 1 352 . 1 1 52 52 SER N N 15 118.628 0.400 . 1 . . . . . 52 SER N . 7376 1 353 . 1 1 53 53 GLN H H 1 9.172 0.020 . 1 . . . . . 53 GLN H . 7376 1 354 . 1 1 53 53 GLN HE21 H 1 7.505 0.020 . 2 . . . . . 53 GLN HE21 . 7376 1 355 . 1 1 53 53 GLN HE22 H 1 6.842 0.020 . 2 . . . . . 53 GLN HE22 . 7376 1 356 . 1 1 53 53 GLN C C 13 178.678 0.400 . 1 . . . . . 53 GLN C . 7376 1 357 . 1 1 53 53 GLN CA C 13 60.156 0.400 . 1 . . . . . 53 GLN CA . 7376 1 358 . 1 1 53 53 GLN CB C 13 27.337 0.400 . 1 . . . . . 53 GLN CB . 7376 1 359 . 1 1 53 53 GLN N N 15 123.653 0.400 . 1 . . . . . 53 GLN N . 7376 1 360 . 1 1 53 53 GLN NE2 N 15 110.394 0.400 . 1 . . . . . 53 GLN NE2 . 7376 1 361 . 1 1 54 54 SER H H 1 8.524 0.020 . 1 . . . . . 54 SER H . 7376 1 362 . 1 1 54 54 SER C C 13 176.870 0.400 . 1 . . . . . 54 SER C . 7376 1 363 . 1 1 54 54 SER CA C 13 60.941 0.400 . 1 . . . . . 54 SER CA . 7376 1 364 . 1 1 54 54 SER CB C 13 62.153 0.400 . 1 . . . . . 54 SER CB . 7376 1 365 . 1 1 54 54 SER N N 15 114.400 0.400 . 1 . . . . . 54 SER N . 7376 1 366 . 1 1 55 55 ASN H H 1 7.676 0.020 . 1 . . . . . 55 ASN H . 7376 1 367 . 1 1 55 55 ASN HD21 H 1 8.088 0.020 . 2 . . . . . 55 ASN HD21 . 7376 1 368 . 1 1 55 55 ASN HD22 H 1 7.126 0.020 . 2 . . . . . 55 ASN HD22 . 7376 1 369 . 1 1 55 55 ASN C C 13 177.687 0.400 . 1 . . . . . 55 ASN C . 7376 1 370 . 1 1 55 55 ASN CA C 13 55.928 0.400 . 1 . . . . . 55 ASN CA . 7376 1 371 . 1 1 55 55 ASN N N 15 122.820 0.400 . 1 . . . . . 55 ASN N . 7376 1 372 . 1 1 55 55 ASN ND2 N 15 113.954 0.400 . 1 . . . . . 55 ASN ND2 . 7376 1 373 . 1 1 56 56 VAL H H 1 8.461 0.020 . 1 . . . . . 56 VAL H . 7376 1 374 . 1 1 56 56 VAL HG11 H 1 0.911 0.020 . 2 . . . . . 56 VAL HG1 . 7376 1 375 . 1 1 56 56 VAL HG12 H 1 0.911 0.020 . 2 . . . . . 56 VAL HG1 . 7376 1 376 . 1 1 56 56 VAL HG13 H 1 0.911 0.020 . 2 . . . . . 56 VAL HG1 . 7376 1 377 . 1 1 56 56 VAL HG21 H 1 0.845 0.020 . 2 . . . . . 56 VAL HG2 . 7376 1 378 . 1 1 56 56 VAL HG22 H 1 0.845 0.020 . 2 . . . . . 56 VAL HG2 . 7376 1 379 . 1 1 56 56 VAL HG23 H 1 0.845 0.020 . 2 . . . . . 56 VAL HG2 . 7376 1 380 . 1 1 56 56 VAL C C 13 177.714 0.400 . 1 . . . . . 56 VAL C . 7376 1 381 . 1 1 56 56 VAL CA C 13 67.583 0.400 . 1 . . . . . 56 VAL CA . 7376 1 382 . 1 1 56 56 VAL CG1 C 13 25.209 0.400 . 1 . . . . . 56 VAL CG1 . 7376 1 383 . 1 1 56 56 VAL CG2 C 13 22.709 0.400 . 1 . . . . . 56 VAL CG2 . 7376 1 384 . 1 1 56 56 VAL N N 15 118.875 0.400 . 1 . . . . . 56 VAL N . 7376 1 385 . 1 1 57 57 SER H H 1 8.713 0.020 . 1 . . . . . 57 SER H . 7376 1 386 . 1 1 57 57 SER C C 13 176.763 0.400 . 1 . . . . . 57 SER C . 7376 1 387 . 1 1 57 57 SER CA C 13 62.56 0.400 . 1 . . . . . 57 SER CA . 7376 1 388 . 1 1 57 57 SER CB C 13 62.343 0.400 . 1 . . . . . 57 SER CB . 7376 1 389 . 1 1 57 57 SER N N 15 114.171 0.400 . 1 . . . . . 57 SER N . 7376 1 390 . 1 1 58 58 HIS H H 1 7.889 0.020 . 1 . . . . . 58 HIS H . 7376 1 391 . 1 1 58 58 HIS C C 13 177.297 0.400 . 1 . . . . . 58 HIS C . 7376 1 392 . 1 1 58 58 HIS CA C 13 59.287 0.400 . 1 . . . . . 58 HIS CA . 7376 1 393 . 1 1 58 58 HIS CB C 13 28.754 0.400 . 1 . . . . . 58 HIS CB . 7376 1 394 . 1 1 58 58 HIS N N 15 120.690 0.400 . 1 . . . . . 58 HIS N . 7376 1 395 . 1 1 59 59 GLN H H 1 8.353 0.020 . 1 . . . . . 59 GLN H . 7376 1 396 . 1 1 59 59 GLN C C 13 179.169 0.400 . 1 . . . . . 59 GLN C . 7376 1 397 . 1 1 59 59 GLN CA C 13 57.975 0.400 . 1 . . . . . 59 GLN CA . 7376 1 398 . 1 1 59 59 GLN CB C 13 27.307 0.400 . 1 . . . . . 59 GLN CB . 7376 1 399 . 1 1 59 59 GLN N N 15 117.467 0.400 . 1 . . . . . 59 GLN N . 7376 1 400 . 1 1 60 60 LEU H H 1 8.622 0.020 . 1 . . . . . 60 LEU H . 7376 1 401 . 1 1 60 60 LEU HD11 H 1 -0.126 0.020 . 2 . . . . . 60 LEU HD1 . 7376 1 402 . 1 1 60 60 LEU HD12 H 1 -0.126 0.020 . 2 . . . . . 60 LEU HD1 . 7376 1 403 . 1 1 60 60 LEU HD13 H 1 -0.126 0.020 . 2 . . . . . 60 LEU HD1 . 7376 1 404 . 1 1 60 60 LEU HD21 H 1 0.361 0.020 . 2 . . . . . 60 LEU HD2 . 7376 1 405 . 1 1 60 60 LEU HD22 H 1 0.361 0.020 . 2 . . . . . 60 LEU HD2 . 7376 1 406 . 1 1 60 60 LEU HD23 H 1 0.361 0.020 . 2 . . . . . 60 LEU HD2 . 7376 1 407 . 1 1 60 60 LEU C C 13 178.593 0.400 . 1 . . . . . 60 LEU C . 7376 1 408 . 1 1 60 60 LEU CA C 13 57.414 0.400 . 1 . . . . . 60 LEU CA . 7376 1 409 . 1 1 60 60 LEU CB C 13 40.493 0.400 . 1 . . . . . 60 LEU CB . 7376 1 410 . 1 1 60 60 LEU CD1 C 13 26.001 0.400 . 1 . . . . . 60 LEU CD1 . 7376 1 411 . 1 1 60 60 LEU CD2 C 13 22.220 0.400 . 1 . . . . . 60 LEU CD2 . 7376 1 412 . 1 1 60 60 LEU N N 15 117.788 0.400 . 1 . . . . . 60 LEU N . 7376 1 413 . 1 1 61 61 LYS H H 1 7.794 0.020 . 1 . . . . . 61 LYS H . 7376 1 414 . 1 1 61 61 LYS C C 13 179.625 0.400 . 1 . . . . . 61 LYS C . 7376 1 415 . 1 1 61 61 LYS CA C 13 59.879 0.400 . 1 . . . . . 61 LYS CA . 7376 1 416 . 1 1 61 61 LYS CB C 13 31.600 0.400 . 1 . . . . . 61 LYS CB . 7376 1 417 . 1 1 61 61 LYS N N 15 120.375 0.400 . 1 . . . . . 61 LYS N . 7376 1 418 . 1 1 62 62 LEU H H 1 7.311 0.020 . 1 . . . . . 62 LEU H . 7376 1 419 . 1 1 62 62 LEU HD11 H 1 0.867 0.020 . 2 . . . . . 62 LEU HD1 . 7376 1 420 . 1 1 62 62 LEU HD12 H 1 0.867 0.020 . 2 . . . . . 62 LEU HD1 . 7376 1 421 . 1 1 62 62 LEU HD13 H 1 0.867 0.020 . 2 . . . . . 62 LEU HD1 . 7376 1 422 . 1 1 62 62 LEU HD21 H 1 0.833 0.020 . 2 . . . . . 62 LEU HD2 . 7376 1 423 . 1 1 62 62 LEU HD22 H 1 0.833 0.020 . 2 . . . . . 62 LEU HD2 . 7376 1 424 . 1 1 62 62 LEU HD23 H 1 0.833 0.020 . 2 . . . . . 62 LEU HD2 . 7376 1 425 . 1 1 62 62 LEU C C 13 180.323 0.400 . 1 . . . . . 62 LEU C . 7376 1 426 . 1 1 62 62 LEU CA C 13 57.975 0.400 . 1 . . . . . 62 LEU CA . 7376 1 427 . 1 1 62 62 LEU CB C 13 41.096 0.400 . 1 . . . . . 62 LEU CB . 7376 1 428 . 1 1 62 62 LEU CD1 C 13 24.510 0.400 . 1 . . . . . 62 LEU CD1 . 7376 1 429 . 1 1 62 62 LEU CD2 C 13 23.775 0.400 . 1 . . . . . 62 LEU CD2 . 7376 1 430 . 1 1 62 62 LEU N N 15 121.961 0.400 . 1 . . . . . 62 LEU N . 7376 1 431 . 1 1 63 63 LEU H H 1 8.268 0.020 . 1 . . . . . 63 LEU H . 7376 1 432 . 1 1 63 63 LEU HD11 H 1 0.744 0.020 . 2 . . . . . 63 LEU HD1 . 7376 1 433 . 1 1 63 63 LEU HD12 H 1 0.744 0.020 . 2 . . . . . 63 LEU HD1 . 7376 1 434 . 1 1 63 63 LEU HD13 H 1 0.744 0.020 . 2 . . . . . 63 LEU HD1 . 7376 1 435 . 1 1 63 63 LEU HD21 H 1 0.822 0.020 . 2 . . . . . 63 LEU HD2 . 7376 1 436 . 1 1 63 63 LEU HD22 H 1 0.822 0.020 . 2 . . . . . 63 LEU HD2 . 7376 1 437 . 1 1 63 63 LEU HD23 H 1 0.822 0.020 . 2 . . . . . 63 LEU HD2 . 7376 1 438 . 1 1 63 63 LEU C C 13 178.982 0.400 . 1 . . . . . 63 LEU C . 7376 1 439 . 1 1 63 63 LEU CA C 13 57.711 0.400 . 1 . . . . . 63 LEU CA . 7376 1 440 . 1 1 63 63 LEU CB C 13 42.062 0.400 . 1 . . . . . 63 LEU CB . 7376 1 441 . 1 1 63 63 LEU CD1 C 13 24.280 0.400 . 1 . . . . . 63 LEU CD1 . 7376 1 442 . 1 1 63 63 LEU CD2 C 13 22.982 0.400 . 1 . . . . . 63 LEU CD2 . 7376 1 443 . 1 1 63 63 LEU N N 15 119.069 0.400 . 1 . . . . . 63 LEU N . 7376 1 444 . 1 1 64 64 LYS H H 1 9.013 0.020 . 1 . . . . . 64 LYS H . 7376 1 445 . 1 1 64 64 LYS C C 13 180.500 0.400 . 1 . . . . . 64 LYS C . 7376 1 446 . 1 1 64 64 LYS CA C 13 58.871 0.400 . 1 . . . . . 64 LYS CA . 7376 1 447 . 1 1 64 64 LYS CB C 13 32.263 0.400 . 1 . . . . . 64 LYS CB . 7376 1 448 . 1 1 64 64 LYS N N 15 123.115 0.400 . 1 . . . . . 64 LYS N . 7376 1 449 . 1 1 65 65 SER H H 1 8.046 0.020 . 1 . . . . . 65 SER H . 7376 1 450 . 1 1 65 65 SER C C 13 175.296 0.400 . 1 . . . . . 65 SER C . 7376 1 451 . 1 1 65 65 SER CA C 13 61.707 0.400 . 1 . . . . . 65 SER CA . 7376 1 452 . 1 1 65 65 SER CB C 13 62.379 0.400 . 1 . . . . . 65 SER CB . 7376 1 453 . 1 1 65 65 SER N N 15 118.595 0.400 . 1 . . . . . 65 SER N . 7376 1 454 . 1 1 66 66 VAL H H 1 6.767 0.020 . 1 . . . . . 66 VAL H . 7376 1 455 . 1 1 66 66 VAL HG11 H 1 0.940 0.020 . 2 . . . . . 66 VAL HG1 . 7376 1 456 . 1 1 66 66 VAL HG12 H 1 0.940 0.020 . 2 . . . . . 66 VAL HG1 . 7376 1 457 . 1 1 66 66 VAL HG13 H 1 0.940 0.020 . 2 . . . . . 66 VAL HG1 . 7376 1 458 . 1 1 66 66 VAL HG21 H 1 0.919 0.020 . 2 . . . . . 66 VAL HG2 . 7376 1 459 . 1 1 66 66 VAL HG22 H 1 0.919 0.020 . 2 . . . . . 66 VAL HG2 . 7376 1 460 . 1 1 66 66 VAL HG23 H 1 0.919 0.020 . 2 . . . . . 66 VAL HG2 . 7376 1 461 . 1 1 66 66 VAL C C 13 174.944 0.400 . 1 . . . . . 66 VAL C . 7376 1 462 . 1 1 66 66 VAL CA C 13 60.146 0.400 . 1 . . . . . 66 VAL CA . 7376 1 463 . 1 1 66 66 VAL CB C 13 30.151 0.400 . 1 . . . . . 66 VAL CB . 7376 1 464 . 1 1 66 66 VAL CG1 C 13 19.714 0.400 . 1 . . . . . 66 VAL CG1 . 7376 1 465 . 1 1 66 66 VAL CG2 C 13 21.772 0.400 . 1 . . . . . 66 VAL CG2 . 7376 1 466 . 1 1 66 66 VAL N N 15 111.162 0.400 . 1 . . . . . 66 VAL N . 7376 1 467 . 1 1 67 67 HIS H H 1 8.019 0.020 . 1 . . . . . 67 HIS H . 7376 1 468 . 1 1 67 67 HIS C C 13 175.661 0.400 . 1 . . . . . 67 HIS C . 7376 1 469 . 1 1 67 67 HIS CA C 13 56.304 0.400 . 1 . . . . . 67 HIS CA . 7376 1 470 . 1 1 67 67 HIS N N 15 113.766 0.400 . 1 . . . . . 67 HIS N . 7376 1 471 . 1 1 68 68 LEU H H 1 8.610 0.020 . 1 . . . . . 68 LEU H . 7376 1 472 . 1 1 68 68 LEU HD11 H 1 0.827 0.020 . 2 . . . . . 68 LEU HD1 . 7376 1 473 . 1 1 68 68 LEU HD12 H 1 0.827 0.020 . 2 . . . . . 68 LEU HD1 . 7376 1 474 . 1 1 68 68 LEU HD13 H 1 0.827 0.020 . 2 . . . . . 68 LEU HD1 . 7376 1 475 . 1 1 68 68 LEU HD21 H 1 0.848 0.020 . 2 . . . . . 68 LEU HD2 . 7376 1 476 . 1 1 68 68 LEU HD22 H 1 0.848 0.020 . 2 . . . . . 68 LEU HD2 . 7376 1 477 . 1 1 68 68 LEU HD23 H 1 0.848 0.020 . 2 . . . . . 68 LEU HD2 . 7376 1 478 . 1 1 68 68 LEU C C 13 178.109 0.400 . 1 . . . . . 68 LEU C . 7376 1 479 . 1 1 68 68 LEU CA C 13 55.567 0.400 . 1 . . . . . 68 LEU CA . 7376 1 480 . 1 1 68 68 LEU CD1 C 13 23.712 0.400 . 1 . . . . . 68 LEU CD1 . 7376 1 481 . 1 1 68 68 LEU CD2 C 13 26.734 0.400 . 1 . . . . . 68 LEU CD2 . 7376 1 482 . 1 1 68 68 LEU N N 15 115.854 0.400 . 1 . . . . . 68 LEU N . 7376 1 483 . 1 1 69 69 VAL H H 1 7.072 0.020 . 1 . . . . . 69 VAL H . 7376 1 484 . 1 1 69 69 VAL HG11 H 1 0.825 0.020 . 2 . . . . . 69 VAL HG1 . 7376 1 485 . 1 1 69 69 VAL HG12 H 1 0.825 0.020 . 2 . . . . . 69 VAL HG1 . 7376 1 486 . 1 1 69 69 VAL HG13 H 1 0.825 0.020 . 2 . . . . . 69 VAL HG1 . 7376 1 487 . 1 1 69 69 VAL HG21 H 1 0.713 0.020 . 2 . . . . . 69 VAL HG2 . 7376 1 488 . 1 1 69 69 VAL HG22 H 1 0.713 0.020 . 2 . . . . . 69 VAL HG2 . 7376 1 489 . 1 1 69 69 VAL HG23 H 1 0.713 0.020 . 2 . . . . . 69 VAL HG2 . 7376 1 490 . 1 1 69 69 VAL C C 13 173.517 0.400 . 1 . . . . . 69 VAL C . 7376 1 491 . 1 1 69 69 VAL CA C 13 57.647 0.400 . 1 . . . . . 69 VAL CA . 7376 1 492 . 1 1 69 69 VAL CB C 13 35.488 0.400 . 1 . . . . . 69 VAL CB . 7376 1 493 . 1 1 69 69 VAL CG1 C 13 22.912 0.400 . 1 . . . . . 69 VAL CG1 . 7376 1 494 . 1 1 69 69 VAL CG2 C 13 19.838 0.400 . 1 . . . . . 69 VAL CG2 . 7376 1 495 . 1 1 69 69 VAL N N 15 111.003 0.400 . 1 . . . . . 69 VAL N . 7376 1 496 . 1 1 70 70 LYS H H 1 9.205 0.020 . 1 . . . . . 70 LYS H . 7376 1 497 . 1 1 70 70 LYS C C 13 172.548 0.400 . 1 . . . . . 70 LYS C . 7376 1 498 . 1 1 70 70 LYS CA C 13 54.066 0.400 . 1 . . . . . 70 LYS CA . 7376 1 499 . 1 1 70 70 LYS CB C 13 35.723 0.400 . 1 . . . . . 70 LYS CB . 7376 1 500 . 1 1 70 70 LYS N N 15 121.070 0.400 . 1 . . . . . 70 LYS N . 7376 1 501 . 1 1 71 71 ALA H H 1 8.366 0.020 . 1 . . . . . 71 ALA H . 7376 1 502 . 1 1 71 71 ALA C C 13 176.229 0.400 . 1 . . . . . 71 ALA C . 7376 1 503 . 1 1 71 71 ALA CA C 13 49.885 0.400 . 1 . . . . . 71 ALA CA . 7376 1 504 . 1 1 71 71 ALA CB C 13 22.193 0.400 . 1 . . . . . 71 ALA CB . 7376 1 505 . 1 1 71 71 ALA N N 15 121.350 0.400 . 1 . . . . . 71 ALA N . 7376 1 506 . 1 1 72 72 LYS H H 1 8.495 0.020 . 1 . . . . . 72 LYS H . 7376 1 507 . 1 1 72 72 LYS CA C 13 53.983 0.400 . 1 . . . . . 72 LYS CA . 7376 1 508 . 1 1 72 72 LYS CB C 13 35.275 0.400 . 1 . . . . . 72 LYS CB . 7376 1 509 . 1 1 72 72 LYS N N 15 120.805 0.400 . 1 . . . . . 72 LYS N . 7376 1 510 . 1 1 73 73 ARG H H 1 8.590 0.020 . 1 . . . . . 73 ARG H . 7376 1 511 . 1 1 73 73 ARG C C 13 176.182 0.400 . 1 . . . . . 73 ARG C . 7376 1 512 . 1 1 73 73 ARG CA C 13 55.816 0.400 . 1 . . . . . 73 ARG CA . 7376 1 513 . 1 1 73 73 ARG CB C 13 30.425 0.400 . 1 . . . . . 73 ARG CB . 7376 1 514 . 1 1 73 73 ARG N N 15 125.195 0.400 . 1 . . . . . 73 ARG N . 7376 1 515 . 1 1 74 74 GLN H H 1 8.573 0.020 . 1 . . . . . 74 GLN H . 7376 1 516 . 1 1 74 74 GLN HE21 H 1 7.384 0.020 . 2 . . . . . 74 GLN HE21 . 7376 1 517 . 1 1 74 74 GLN HE22 H 1 6.846 0.020 . 2 . . . . . 74 GLN HE22 . 7376 1 518 . 1 1 74 74 GLN C C 13 175.452 0.400 . 1 . . . . . 74 GLN C . 7376 1 519 . 1 1 74 74 GLN CA C 13 54.969 0.400 . 1 . . . . . 74 GLN CA . 7376 1 520 . 1 1 74 74 GLN CB C 13 30.274 0.400 . 1 . . . . . 74 GLN CB . 7376 1 521 . 1 1 74 74 GLN N N 15 128.074 0.400 . 1 . . . . . 74 GLN N . 7376 1 522 . 1 1 74 74 GLN NE2 N 15 111.346 0.400 . 1 . . . . . 74 GLN NE2 . 7376 1 523 . 1 1 75 75 GLY H H 1 8.972 0.020 . 1 . . . . . 75 GLY H . 7376 1 524 . 1 1 75 75 GLY C C 13 174.953 0.400 . 1 . . . . . 75 GLY C . 7376 1 525 . 1 1 75 75 GLY CA C 13 46.709 0.400 . 1 . . . . . 75 GLY CA . 7376 1 526 . 1 1 75 75 GLY N N 15 117.379 0.400 . 1 . . . . . 75 GLY N . 7376 1 527 . 1 1 76 76 GLN H H 1 8.896 0.020 . 1 . . . . . 76 GLN H . 7376 1 528 . 1 1 76 76 GLN C C 13 175.931 0.400 . 1 . . . . . 76 GLN C . 7376 1 529 . 1 1 76 76 GLN CA C 13 55.525 0.400 . 1 . . . . . 76 GLN CA . 7376 1 530 . 1 1 76 76 GLN CB C 13 28.704 0.400 . 1 . . . . . 76 GLN CB . 7376 1 531 . 1 1 76 76 GLN N N 15 125.603 0.400 . 1 . . . . . 76 GLN N . 7376 1 532 . 1 1 77 77 SER H H 1 7.948 0.020 . 1 . . . . . 77 SER H . 7376 1 533 . 1 1 77 77 SER C C 13 172.612 0.400 . 1 . . . . . 77 SER C . 7376 1 534 . 1 1 77 77 SER CA C 13 57.312 0.400 . 1 . . . . . 77 SER CA . 7376 1 535 . 1 1 77 77 SER CB C 13 65.141 0.400 . 1 . . . . . 77 SER CB . 7376 1 536 . 1 1 77 77 SER N N 15 115.666 0.400 . 1 . . . . . 77 SER N . 7376 1 537 . 1 1 78 78 MET H H 1 8.319 0.020 . 1 . . . . . 78 MET H . 7376 1 538 . 1 1 78 78 MET C C 13 174.955 0.400 . 1 . . . . . 78 MET C . 7376 1 539 . 1 1 78 78 MET CA C 13 53.503 0.400 . 1 . . . . . 78 MET CA . 7376 1 540 . 1 1 78 78 MET CB C 13 32.694 0.400 . 1 . . . . . 78 MET CB . 7376 1 541 . 1 1 78 78 MET N N 15 122.438 0.400 . 1 . . . . . 78 MET N . 7376 1 542 . 1 1 79 79 ILE H H 1 8.906 0.020 . 1 . . . . . 79 ILE H . 7376 1 543 . 1 1 79 79 ILE HD11 H 1 0.680 0.020 . 1 . . . . . 79 ILE HD1 . 7376 1 544 . 1 1 79 79 ILE HD12 H 1 0.680 0.020 . 1 . . . . . 79 ILE HD1 . 7376 1 545 . 1 1 79 79 ILE HD13 H 1 0.680 0.020 . 1 . . . . . 79 ILE HD1 . 7376 1 546 . 1 1 79 79 ILE C C 13 175.629 0.400 . 1 . . . . . 79 ILE C . 7376 1 547 . 1 1 79 79 ILE CA C 13 58.644 0.400 . 1 . . . . . 79 ILE CA . 7376 1 548 . 1 1 79 79 ILE CB C 13 38.335 0.400 . 1 . . . . . 79 ILE CB . 7376 1 549 . 1 1 79 79 ILE CD1 C 13 10.830 0.400 . 1 . . . . . 79 ILE CD1 . 7376 1 550 . 1 1 79 79 ILE N N 15 125.031 0.400 . 1 . . . . . 79 ILE N . 7376 1 551 . 1 1 80 80 TYR H H 1 8.867 0.020 . 1 . . . . . 80 TYR H . 7376 1 552 . 1 1 80 80 TYR C C 13 173.966 0.400 . 1 . . . . . 80 TYR C . 7376 1 553 . 1 1 80 80 TYR CA C 13 57.605 0.400 . 1 . . . . . 80 TYR CA . 7376 1 554 . 1 1 80 80 TYR CB C 13 41.291 0.400 . 1 . . . . . 80 TYR CB . 7376 1 555 . 1 1 80 80 TYR N N 15 127.987 0.400 . 1 . . . . . 80 TYR N . 7376 1 556 . 1 1 81 81 SER H H 1 8.670 0.020 . 1 . . . . . 81 SER H . 7376 1 557 . 1 1 81 81 SER C C 13 175.274 0.400 . 1 . . . . . 81 SER C . 7376 1 558 . 1 1 81 81 SER CA C 13 55.903 0.400 . 1 . . . . . 81 SER CA . 7376 1 559 . 1 1 81 81 SER CB C 13 66.300 0.400 . 1 . . . . . 81 SER CB . 7376 1 560 . 1 1 81 81 SER N N 15 109.530 0.400 . 1 . . . . . 81 SER N . 7376 1 561 . 1 1 82 82 LEU H H 1 9.053 0.020 . 1 . . . . . 82 LEU H . 7376 1 562 . 1 1 82 82 LEU HD11 H 1 0.823 0.020 . 2 . . . . . 82 LEU HD1 . 7376 1 563 . 1 1 82 82 LEU HD12 H 1 0.823 0.020 . 2 . . . . . 82 LEU HD1 . 7376 1 564 . 1 1 82 82 LEU HD13 H 1 0.823 0.020 . 2 . . . . . 82 LEU HD1 . 7376 1 565 . 1 1 82 82 LEU HD21 H 1 0.861 0.020 . 2 . . . . . 82 LEU HD2 . 7376 1 566 . 1 1 82 82 LEU HD22 H 1 0.861 0.020 . 2 . . . . . 82 LEU HD2 . 7376 1 567 . 1 1 82 82 LEU HD23 H 1 0.861 0.020 . 2 . . . . . 82 LEU HD2 . 7376 1 568 . 1 1 82 82 LEU C C 13 180.066 0.400 . 1 . . . . . 82 LEU C . 7376 1 569 . 1 1 82 82 LEU CA C 13 55.598 0.400 . 1 . . . . . 82 LEU CA . 7376 1 570 . 1 1 82 82 LEU CB C 13 41.080 0.400 . 1 . . . . . 82 LEU CB . 7376 1 571 . 1 1 82 82 LEU CD1 C 13 25.633 0.400 . 1 . . . . . 82 LEU CD1 . 7376 1 572 . 1 1 82 82 LEU CD2 C 13 23.444 0.400 . 1 . . . . . 82 LEU CD2 . 7376 1 573 . 1 1 82 82 LEU N N 15 119.641 0.400 . 1 . . . . . 82 LEU N . 7376 1 574 . 1 1 83 83 ASP H H 1 7.745 0.020 . 1 . . . . . 83 ASP H . 7376 1 575 . 1 1 83 83 ASP C C 13 175.212 0.400 . 1 . . . . . 83 ASP C . 7376 1 576 . 1 1 83 83 ASP CA C 13 59.549 0.400 . 1 . . . . . 83 ASP CA . 7376 1 577 . 1 1 83 83 ASP CB C 13 45.759 0.400 . 1 . . . . . 83 ASP CB . 7376 1 578 . 1 1 83 83 ASP N N 15 120.121 0.400 . 1 . . . . . 83 ASP N . 7376 1 579 . 1 1 84 84 ASP H H 1 6.845 0.020 . 1 . . . . . 84 ASP H . 7376 1 580 . 1 1 84 84 ASP C C 13 177.038 0.400 . 1 . . . . . 84 ASP C . 7376 1 581 . 1 1 84 84 ASP CA C 13 52.245 0.400 . 1 . . . . . 84 ASP CA . 7376 1 582 . 1 1 84 84 ASP CB C 13 38.837 0.400 . 1 . . . . . 84 ASP CB . 7376 1 583 . 1 1 84 84 ASP N N 15 117.949 0.400 . 1 . . . . . 84 ASP N . 7376 1 584 . 1 1 85 85 ILE H H 1 8.094 0.020 . 1 . . . . . 85 ILE H . 7376 1 585 . 1 1 85 85 ILE HG21 H 1 0.778 0.020 . 1 . . . . . 85 ILE HG2 . 7376 1 586 . 1 1 85 85 ILE HG22 H 1 0.778 0.020 . 1 . . . . . 85 ILE HG2 . 7376 1 587 . 1 1 85 85 ILE HG23 H 1 0.778 0.020 . 1 . . . . . 85 ILE HG2 . 7376 1 588 . 1 1 85 85 ILE HD11 H 1 0.868 0.020 . 1 . . . . . 85 ILE HD1 . 7376 1 589 . 1 1 85 85 ILE HD12 H 1 0.868 0.020 . 1 . . . . . 85 ILE HD1 . 7376 1 590 . 1 1 85 85 ILE HD13 H 1 0.868 0.020 . 1 . . . . . 85 ILE HD1 . 7376 1 591 . 1 1 85 85 ILE C C 13 177.539 0.400 . 1 . . . . . 85 ILE C . 7376 1 592 . 1 1 85 85 ILE CA C 13 61.677 0.400 . 1 . . . . . 85 ILE CA . 7376 1 593 . 1 1 85 85 ILE CB C 13 43.037 0.400 . 1 . . . . . 85 ILE CB . 7376 1 594 . 1 1 85 85 ILE CG2 C 13 17.102 0.400 . 1 . . . . . 85 ILE CG2 . 7376 1 595 . 1 1 85 85 ILE CD1 C 13 13.393 0.400 . 1 . . . . . 85 ILE CD1 . 7376 1 596 . 1 1 85 85 ILE N N 15 116.385 0.400 . 1 . . . . . 85 ILE N . 7376 1 597 . 1 1 86 86 HIS H H 1 7.706 0.020 . 1 . . . . . 86 HIS H . 7376 1 598 . 1 1 86 86 HIS C C 13 178.164 0.400 . 1 . . . . . 86 HIS C . 7376 1 599 . 1 1 86 86 HIS CA C 13 58.961 0.400 . 1 . . . . . 86 HIS CA . 7376 1 600 . 1 1 86 86 HIS CB C 13 30.346 0.400 . 1 . . . . . 86 HIS CB . 7376 1 601 . 1 1 86 86 HIS N N 15 123.647 0.400 . 1 . . . . . 86 HIS N . 7376 1 602 . 1 1 87 87 VAL H H 1 7.263 0.020 . 1 . . . . . 87 VAL H . 7376 1 603 . 1 1 87 87 VAL HG11 H 1 0.769 0.020 . 2 . . . . . 87 VAL HG1 . 7376 1 604 . 1 1 87 87 VAL HG12 H 1 0.769 0.020 . 2 . . . . . 87 VAL HG1 . 7376 1 605 . 1 1 87 87 VAL HG13 H 1 0.769 0.020 . 2 . . . . . 87 VAL HG1 . 7376 1 606 . 1 1 87 87 VAL HG21 H 1 1.177 0.020 . 2 . . . . . 87 VAL HG2 . 7376 1 607 . 1 1 87 87 VAL HG22 H 1 1.177 0.020 . 2 . . . . . 87 VAL HG2 . 7376 1 608 . 1 1 87 87 VAL HG23 H 1 1.177 0.020 . 2 . . . . . 87 VAL HG2 . 7376 1 609 . 1 1 87 87 VAL C C 13 177.121 0.400 . 1 . . . . . 87 VAL C . 7376 1 610 . 1 1 87 87 VAL CA C 13 65.854 0.400 . 1 . . . . . 87 VAL CA . 7376 1 611 . 1 1 87 87 VAL CB C 13 31.882 0.400 . 1 . . . . . 87 VAL CB . 7376 1 612 . 1 1 87 87 VAL CG1 C 13 21.669 0.400 . 1 . . . . . 87 VAL CG1 . 7376 1 613 . 1 1 87 87 VAL CG2 C 13 22.331 0.400 . 1 . . . . . 87 VAL CG2 . 7376 1 614 . 1 1 87 87 VAL N N 15 117.349 0.400 . 1 . . . . . 87 VAL N . 7376 1 615 . 1 1 88 88 ALA H H 1 7.323 0.020 . 1 . . . . . 88 ALA H . 7376 1 616 . 1 1 88 88 ALA C C 13 180.074 0.400 . 1 . . . . . 88 ALA C . 7376 1 617 . 1 1 88 88 ALA CA C 13 55.198 0.400 . 1 . . . . . 88 ALA CA . 7376 1 618 . 1 1 88 88 ALA CB C 13 18.073 0.400 . 1 . . . . . 88 ALA CB . 7376 1 619 . 1 1 88 88 ALA N N 15 120.055 0.400 . 1 . . . . . 88 ALA N . 7376 1 620 . 1 1 89 89 THR H H 1 8.600 0.020 . 1 . . . . . 89 THR H . 7376 1 621 . 1 1 89 89 THR C C 13 176.263 0.400 . 1 . . . . . 89 THR C . 7376 1 622 . 1 1 89 89 THR CA C 13 66.685 0.400 . 1 . . . . . 89 THR CA . 7376 1 623 . 1 1 89 89 THR CB C 13 67.831 0.400 . 1 . . . . . 89 THR CB . 7376 1 624 . 1 1 89 89 THR N N 15 114.459 0.400 . 1 . . . . . 89 THR N . 7376 1 625 . 1 1 90 90 MET H H 1 8.405 0.020 . 1 . . . . . 90 MET H . 7376 1 626 . 1 1 90 90 MET C C 13 176.868 0.400 . 1 . . . . . 90 MET C . 7376 1 627 . 1 1 90 90 MET CA C 13 60.877 0.400 . 1 . . . . . 90 MET CA . 7376 1 628 . 1 1 90 90 MET CB C 13 34.048 0.400 . 1 . . . . . 90 MET CB . 7376 1 629 . 1 1 90 90 MET N N 15 121.840 0.400 . 1 . . . . . 90 MET N . 7376 1 630 . 1 1 91 91 LEU H H 1 7.720 0.020 . 1 . . . . . 91 LEU H . 7376 1 631 . 1 1 91 91 LEU HD11 H 1 0.959 0.020 . 2 . . . . . 91 LEU HD1 . 7376 1 632 . 1 1 91 91 LEU HD12 H 1 0.959 0.020 . 2 . . . . . 91 LEU HD1 . 7376 1 633 . 1 1 91 91 LEU HD13 H 1 0.959 0.020 . 2 . . . . . 91 LEU HD1 . 7376 1 634 . 1 1 91 91 LEU HD21 H 1 0.869 0.020 . 2 . . . . . 91 LEU HD2 . 7376 1 635 . 1 1 91 91 LEU HD22 H 1 0.869 0.020 . 2 . . . . . 91 LEU HD2 . 7376 1 636 . 1 1 91 91 LEU HD23 H 1 0.869 0.020 . 2 . . . . . 91 LEU HD2 . 7376 1 637 . 1 1 91 91 LEU C C 13 177.847 0.400 . 1 . . . . . 91 LEU C . 7376 1 638 . 1 1 91 91 LEU CA C 13 57.812 0.400 . 1 . . . . . 91 LEU CA . 7376 1 639 . 1 1 91 91 LEU CB C 13 41.817 0.400 . 1 . . . . . 91 LEU CB . 7376 1 640 . 1 1 91 91 LEU CD1 C 13 24.239 0.400 . 1 . . . . . 91 LEU CD1 . 7376 1 641 . 1 1 91 91 LEU CD2 C 13 24.936 0.400 . 1 . . . . . 91 LEU CD2 . 7376 1 642 . 1 1 91 91 LEU N N 15 117.061 0.400 . 1 . . . . . 91 LEU N . 7376 1 643 . 1 1 92 92 LYS H H 1 8.109 0.020 . 1 . . . . . 92 LYS H . 7376 1 644 . 1 1 92 92 LYS C C 13 179.169 0.400 . 1 . . . . . 92 LYS C . 7376 1 645 . 1 1 92 92 LYS CA C 13 59.415 0.400 . 1 . . . . . 92 LYS CA . 7376 1 646 . 1 1 92 92 LYS CB C 13 32.072 0.400 . 1 . . . . . 92 LYS CB . 7376 1 647 . 1 1 92 92 LYS N N 15 118.004 0.400 . 1 . . . . . 92 LYS N . 7376 1 648 . 1 1 93 93 GLN H H 1 8.446 0.020 . 1 . . . . . 93 GLN H . 7376 1 649 . 1 1 93 93 GLN HE21 H 1 7.520 0.020 . 2 . . . . . 93 GLN HE21 . 7376 1 650 . 1 1 93 93 GLN HE22 H 1 6.873 0.020 . 2 . . . . . 93 GLN HE22 . 7376 1 651 . 1 1 93 93 GLN C C 13 178.078 0.400 . 1 . . . . . 93 GLN C . 7376 1 652 . 1 1 93 93 GLN CA C 13 58.045 0.400 . 1 . . . . . 93 GLN CA . 7376 1 653 . 1 1 93 93 GLN CB C 13 28.292 0.400 . 1 . . . . . 93 GLN CB . 7376 1 654 . 1 1 93 93 GLN N N 15 115.605 0.400 . 1 . . . . . 93 GLN N . 7376 1 655 . 1 1 93 93 GLN NE2 N 15 110.883 0.400 . 1 . . . . . 93 GLN NE2 . 7376 1 656 . 1 1 94 94 ALA H H 1 7.690 0.020 . 1 . . . . . 94 ALA H . 7376 1 657 . 1 1 94 94 ALA C C 13 178.748 0.400 . 1 . . . . . 94 ALA C . 7376 1 658 . 1 1 94 94 ALA CA C 13 55.775 0.400 . 1 . . . . . 94 ALA CA . 7376 1 659 . 1 1 94 94 ALA CB C 13 19.244 0.400 . 1 . . . . . 94 ALA CB . 7376 1 660 . 1 1 94 94 ALA N N 15 121.965 0.400 . 1 . . . . . 94 ALA N . 7376 1 661 . 1 1 95 95 ILE H H 1 8.136 0.020 . 1 . . . . . 95 ILE H . 7376 1 662 . 1 1 95 95 ILE HD11 H 1 0.750 0.020 . 1 . . . . . 95 ILE HD1 . 7376 1 663 . 1 1 95 95 ILE HD12 H 1 0.750 0.020 . 1 . . . . . 95 ILE HD1 . 7376 1 664 . 1 1 95 95 ILE HD13 H 1 0.750 0.020 . 1 . . . . . 95 ILE HD1 . 7376 1 665 . 1 1 95 95 ILE C C 13 177.814 0.400 . 1 . . . . . 95 ILE C . 7376 1 666 . 1 1 95 95 ILE CA C 13 65.213 0.400 . 1 . . . . . 95 ILE CA . 7376 1 667 . 1 1 95 95 ILE CB C 13 37.500 0.400 . 1 . . . . . 95 ILE CB . 7376 1 668 . 1 1 95 95 ILE CD1 C 13 13.082 0.400 . 1 . . . . . 95 ILE CD1 . 7376 1 669 . 1 1 95 95 ILE N N 15 118.644 0.400 . 1 . . . . . 95 ILE N . 7376 1 670 . 1 1 96 96 HIS H H 1 8.279 0.020 . 1 . . . . . 96 HIS H . 7376 1 671 . 1 1 96 96 HIS C C 13 178.558 0.400 . 1 . . . . . 96 HIS C . 7376 1 672 . 1 1 96 96 HIS CA C 13 57.873 0.400 . 1 . . . . . 96 HIS CA . 7376 1 673 . 1 1 96 96 HIS CB C 13 28.703 0.400 . 1 . . . . . 96 HIS CB . 7376 1 674 . 1 1 96 96 HIS N N 15 116.269 0.400 . 1 . . . . . 96 HIS N . 7376 1 675 . 1 1 97 97 HIS H H 1 8.140 0.020 . 1 . . . . . 97 HIS H . 7376 1 676 . 1 1 97 97 HIS C C 13 175.933 0.400 . 1 . . . . . 97 HIS C . 7376 1 677 . 1 1 97 97 HIS CA C 13 57.764 0.400 . 1 . . . . . 97 HIS CA . 7376 1 678 . 1 1 97 97 HIS CB C 13 29.972 0.400 . 1 . . . . . 97 HIS CB . 7376 1 679 . 1 1 97 97 HIS N N 15 117.368 0.400 . 1 . . . . . 97 HIS N . 7376 1 680 . 1 1 98 98 ALA H H 1 8.284 0.020 . 1 . . . . . 98 ALA H . 7376 1 681 . 1 1 98 98 ALA C C 13 177.519 0.400 . 1 . . . . . 98 ALA C . 7376 1 682 . 1 1 98 98 ALA CA C 13 53.129 0.400 . 1 . . . . . 98 ALA CA . 7376 1 683 . 1 1 98 98 ALA CB C 13 19.099 0.400 . 1 . . . . . 98 ALA CB . 7376 1 684 . 1 1 98 98 ALA N N 15 119.713 0.400 . 1 . . . . . 98 ALA N . 7376 1 685 . 1 1 99 99 ASN H H 1 7.326 0.020 . 1 . . . . . 99 ASN H . 7376 1 686 . 1 1 99 99 ASN HD21 H 1 7.408 0.020 . 1 . . . . . 99 ASN HD21 . 7376 1 687 . 1 1 99 99 ASN HD22 H 1 7.408 0.020 . 1 . . . . . 99 ASN HD22 . 7376 1 688 . 1 1 99 99 ASN C C 13 175.818 0.400 . 1 . . . . . 99 ASN C . 7376 1 689 . 1 1 99 99 ASN CA C 13 52.631 0.400 . 1 . . . . . 99 ASN CA . 7376 1 690 . 1 1 99 99 ASN CB C 13 39.625 0.400 . 1 . . . . . 99 ASN CB . 7376 1 691 . 1 1 99 99 ASN N N 15 114.672 0.400 . 1 . . . . . 99 ASN N . 7376 1 692 . 1 1 99 99 ASN ND2 N 15 112.208 0.400 . 1 . . . . . 99 ASN ND2 . 7376 1 693 . 1 1 100 100 HIS H H 1 7.205 0.020 . 1 . . . . . 100 HIS H . 7376 1 694 . 1 1 100 100 HIS CA C 13 54.453 0.400 . 1 . . . . . 100 HIS CA . 7376 1 695 . 1 1 100 100 HIS CB C 13 26.682 0.400 . 1 . . . . . 100 HIS CB . 7376 1 696 . 1 1 100 100 HIS N N 15 117.974 0.400 . 1 . . . . . 100 HIS N . 7376 1 697 . 1 1 101 101 PRO C C 13 177.166 0.400 . 1 . . . . . 101 PRO C . 7376 1 698 . 1 1 101 101 PRO CA C 13 63.102 0.400 . 1 . . . . . 101 PRO CA . 7376 1 699 . 1 1 101 101 PRO CB C 13 30.000 0.400 . 1 . . . . . 101 PRO CB . 7376 1 700 . 1 1 102 102 LYS H H 1 8.439 0.020 . 1 . . . . . 102 LYS H . 7376 1 701 . 1 1 102 102 LYS C C 13 176.652 0.400 . 1 . . . . . 102 LYS C . 7376 1 702 . 1 1 102 102 LYS CA C 13 55.829 0.400 . 1 . . . . . 102 LYS CA . 7376 1 703 . 1 1 102 102 LYS CB C 13 32.667 0.400 . 1 . . . . . 102 LYS CB . 7376 1 704 . 1 1 102 102 LYS N N 15 122.323 0.400 . 1 . . . . . 102 LYS N . 7376 1 705 . 1 1 103 103 GLU H H 1 8.496 0.020 . 1 . . . . . 103 GLU H . 7376 1 706 . 1 1 103 103 GLU C C 13 176.413 0.400 . 1 . . . . . 103 GLU C . 7376 1 707 . 1 1 103 103 GLU CA C 13 56.264 0.400 . 1 . . . . . 103 GLU CA . 7376 1 708 . 1 1 103 103 GLU CB C 13 29.652 0.400 . 1 . . . . . 103 GLU CB . 7376 1 709 . 1 1 103 103 GLU N N 15 122.048 0.400 . 1 . . . . . 103 GLU N . 7376 1 710 . 1 1 104 104 SER H H 1 8.367 0.020 . 1 . . . . . 104 SER H . 7376 1 711 . 1 1 104 104 SER C C 13 174.942 0.400 . 1 . . . . . 104 SER C . 7376 1 712 . 1 1 104 104 SER CA C 13 58.258 0.400 . 1 . . . . . 104 SER CA . 7376 1 713 . 1 1 104 104 SER CB C 13 63.548 0.400 . 1 . . . . . 104 SER CB . 7376 1 714 . 1 1 104 104 SER N N 15 116.875 0.400 . 1 . . . . . 104 SER N . 7376 1 715 . 1 1 105 105 GLY H H 1 8.381 0.020 . 1 . . . . . 105 GLY H . 7376 1 716 . 1 1 105 105 GLY C C 13 173.181 0.400 . 1 . . . . . 105 GLY C . 7376 1 717 . 1 1 105 105 GLY CA C 13 45.047 0.400 . 1 . . . . . 105 GLY CA . 7376 1 718 . 1 1 105 105 GLY N N 15 111.320 0.400 . 1 . . . . . 105 GLY N . 7376 1 719 . 1 1 106 106 LEU H H 1 7.723 0.020 . 1 . . . . . 106 LEU H . 7376 1 720 . 1 1 106 106 LEU HD11 H 1 0.838 0.020 . 2 . . . . . 106 LEU HD1 . 7376 1 721 . 1 1 106 106 LEU HD12 H 1 0.838 0.020 . 2 . . . . . 106 LEU HD1 . 7376 1 722 . 1 1 106 106 LEU HD13 H 1 0.838 0.020 . 2 . . . . . 106 LEU HD1 . 7376 1 723 . 1 1 106 106 LEU HD21 H 1 0.875 0.020 . 2 . . . . . 106 LEU HD2 . 7376 1 724 . 1 1 106 106 LEU HD22 H 1 0.875 0.020 . 2 . . . . . 106 LEU HD2 . 7376 1 725 . 1 1 106 106 LEU HD23 H 1 0.875 0.020 . 2 . . . . . 106 LEU HD2 . 7376 1 726 . 1 1 106 106 LEU CA C 13 56.233 0.400 . 1 . . . . . 106 LEU CA . 7376 1 727 . 1 1 106 106 LEU CB C 13 43.101 0.400 . 1 . . . . . 106 LEU CB . 7376 1 728 . 1 1 106 106 LEU CD1 C 13 23.405 0.400 . 1 . . . . . 106 LEU CD1 . 7376 1 729 . 1 1 106 106 LEU CD2 C 13 25.120 0.400 . 1 . . . . . 106 LEU CD2 . 7376 1 730 . 1 1 106 106 LEU N N 15 127.393 0.400 . 1 . . . . . 106 LEU N . 7376 1 stop_ save_