################################### # 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_CD2AP_SH3-A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CD2AP_SH3-A _Assigned_chem_shift_list.Entry_ID 19447 _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 $chem_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19447 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL H H 1 7.1985 . . 1 . . . A 2 VAL H1 . 19447 1 2 . 1 1 1 1 VAL N N 15 104.2422 . . 1 . . . A 2 VAL N . 19447 1 3 . 1 1 2 2 ASP H H 1 9.2149 . . 1 . . . A 3 ASP H . 19447 1 4 . 1 1 2 2 ASP N N 15 128.6060 . . 1 . . . A 3 ASP N . 19447 1 5 . 1 1 3 3 TYR H H 1 9.3242 . . 1 . . . A 4 TYR H . 19447 1 6 . 1 1 3 3 TYR N N 15 120.1495 . . 1 . . . A 4 TYR N . 19447 1 7 . 1 1 4 4 ILE H H 1 9.4176 . . 1 . . . A 5 ILE H . 19447 1 8 . 1 1 4 4 ILE N N 15 119.2504 . . 1 . . . A 5 ILE N . 19447 1 9 . 1 1 5 5 VAL H H 1 8.5314 . . 1 . . . A 6 VAL H . 19447 1 10 . 1 1 5 5 VAL N N 15 126.1500 . . 1 . . . A 6 VAL N . 19447 1 11 . 1 1 6 6 GLU H H 1 9.2403 . . 1 . . . A 7 GLU H . 19447 1 12 . 1 1 6 6 GLU N N 15 129.2890 . . 1 . . . A 7 GLU N . 19447 1 13 . 1 1 7 7 TYR H H 1 7.7246 . . 1 . . . A 8 TYR H . 19447 1 14 . 1 1 7 7 TYR N N 15 117.5000 . . 1 . . . A 8 TYR N . 19447 1 15 . 1 1 8 8 ASP H H 1 8.0263 . . 1 . . . A 9 ASP H . 19447 1 16 . 1 1 8 8 ASP N N 15 118.9636 . . 1 . . . A 9 ASP N . 19447 1 17 . 1 1 9 9 TYR H H 1 8.1342 . . 1 . . . A 10 TYR H . 19447 1 18 . 1 1 9 9 TYR N N 15 118.3098 . . 1 . . . A 10 TYR N . 19447 1 19 . 1 1 10 10 ASP H H 1 7.8067 . . 1 . . . A 11 ASP H . 19447 1 20 . 1 1 10 10 ASP N N 15 128.4192 . . 1 . . . A 11 ASP N . 19447 1 21 . 1 1 11 11 ALA H H 1 7.7854 . . 1 . . . A 12 ALA H . 19447 1 22 . 1 1 11 11 ALA N N 15 123.0842 . . 1 . . . A 12 ALA N . 19447 1 23 . 1 1 12 12 VAL H H 1 8.5167 . . 1 . . . A 13 VAL H . 19447 1 24 . 1 1 12 12 VAL N N 15 118.5913 . . 1 . . . A 13 VAL N . 19447 1 25 . 1 1 13 13 HIS H H 1 7.0489 . . 1 . . . A 14 HIS H . 19447 1 26 . 1 1 13 13 HIS N N 15 115.1454 . . 1 . . . A 14 HIS N . 19447 1 27 . 1 1 14 14 ASP H H 1 8.8229 . . 1 . . . A 15 ASP H . 19447 1 28 . 1 1 14 14 ASP N N 15 120.6948 . . 1 . . . A 15 ASP N . 19447 1 29 . 1 1 15 15 ASP H H 1 8.4443 . . 1 . . . A 16 ASP H . 19447 1 30 . 1 1 15 15 ASP N N 15 115.8856 . . 1 . . . A 16 ASP N . 19447 1 31 . 1 1 16 16 GLU H H 1 7.7616 . . 1 . . . A 17 GLU H . 19447 1 32 . 1 1 16 16 GLU N N 15 119.6430 . . 1 . . . A 17 GLU N . 19447 1 33 . 1 1 17 17 LEU H H 1 8.9244 . . 1 . . . A 18 LEU H . 19447 1 34 . 1 1 17 17 LEU N N 15 120.6865 . . 1 . . . A 18 LEU N . 19447 1 35 . 1 1 18 18 THR H H 1 7.4620 . . 1 . . . A 19 THR H . 19447 1 36 . 1 1 18 18 THR N N 15 117.2276 . . 1 . . . A 19 THR N . 19447 1 37 . 1 1 19 19 ILE H H 1 9.2689 . . 1 . . . A 20 ILE H . 19447 1 38 . 1 1 19 19 ILE N N 15 121.4752 . . 1 . . . A 20 ILE N . 19447 1 39 . 1 1 20 20 ARG H H 1 8.8093 . . 1 . . . A 21 ARG H . 19447 1 40 . 1 1 20 20 ARG N N 15 124.9405 . . 1 . . . A 21 ARG N . 19447 1 41 . 1 1 21 21 VAL H H 1 7.9940 . . 1 . . . A 22 VAL H . 19447 1 42 . 1 1 21 21 VAL N N 15 118.2997 . . 1 . . . A 22 VAL N . 19447 1 43 . 1 1 22 22 GLY H H 1 8.6898 . . 1 . . . A 23 GLY H . 19447 1 44 . 1 1 22 22 GLY N N 15 114.5722 . . 1 . . . A 23 GLY N . 19447 1 45 . 1 1 23 23 GLU H H 1 8.0757 . . 1 . . . A 24 GLU H . 19447 1 46 . 1 1 23 23 GLU N N 15 120.0048 . . 1 . . . A 24 GLU N . 19447 1 47 . 1 1 24 24 ILE H H 1 7.9721 . . 1 . . . A 25 ILE H . 19447 1 48 . 1 1 24 24 ILE N N 15 119.3760 . . 1 . . . A 25 ILE N . 19447 1 49 . 1 1 25 25 ILE H H 1 9.3210 . . 1 . . . A 26 ILE H . 19447 1 50 . 1 1 25 25 ILE N N 15 128.3572 . . 1 . . . A 26 ILE N . 19447 1 51 . 1 1 26 26 ARG H H 1 8.6547 . . 1 . . . A 27 ARG H . 19447 1 52 . 1 1 26 26 ARG N N 15 123.6202 . . 1 . . . A 27 ARG N . 19447 1 53 . 1 1 27 27 ASN H H 1 8.6079 . . 1 . . . A 28 ASN H . 19447 1 54 . 1 1 27 27 ASN N N 15 117.4519 . . 1 . . . A 28 ASN N . 19447 1 55 . 1 1 28 28 VAL H H 1 8.6610 . . 1 . . . A 29 VAL H . 19447 1 56 . 1 1 28 28 VAL N N 15 120.5800 . . 1 . . . A 29 VAL N . 19447 1 57 . 1 1 29 29 LYS H H 1 9.3840 . . 1 . . . A 30 LYS H . 19447 1 58 . 1 1 29 29 LYS N N 15 127.3724 . . 1 . . . A 30 LYS N . 19447 1 59 . 1 1 30 30 LYS H H 1 8.4928 . . 1 . . . A 31 LYS H . 19447 1 60 . 1 1 30 30 LYS N N 15 121.8100 . . 1 . . . A 31 LYS N . 19447 1 61 . 1 1 31 31 LEU H H 1 7.6534 . . 1 . . . A 32 LEU H . 19447 1 62 . 1 1 31 31 LEU N N 15 123.3408 . . 1 . . . A 32 LEU N . 19447 1 63 . 1 1 32 32 GLN H H 1 8.4348 . . 1 . . . A 33 GLN H . 19447 1 64 . 1 1 32 32 GLN N N 15 118.3678 . . 1 . . . A 33 GLN N . 19447 1 65 . 1 1 33 33 GLU H H 1 7.3361 . . 1 . . . A 34 GLU H . 19447 1 66 . 1 1 33 33 GLU N N 15 119.3453 . . 1 . . . A 34 GLU N . 19447 1 67 . 1 1 34 34 GLU H H 1 8.3521 . . 1 . . . A 35 GLU H . 19447 1 68 . 1 1 34 34 GLU N N 15 126.2513 . . 1 . . . A 35 GLU N . 19447 1 69 . 1 1 35 35 GLY H H 1 8.5104 . . 1 . . . A 36 GLY H . 19447 1 70 . 1 1 35 35 GLY N N 15 111.3438 . . 1 . . . A 36 GLY N . 19447 1 71 . 1 1 36 36 TRP H H 1 7.7272 . . 1 . . . A 37 TRP H . 19447 1 72 . 1 1 36 36 TRP N N 15 119.2001 . . 1 . . . A 37 TRP N . 19447 1 73 . 1 1 37 37 LEU H H 1 8.4018 . . 1 . . . A 38 LEU H . 19447 1 74 . 1 1 37 37 LEU N N 15 123.0249 . . 1 . . . A 38 LEU N . 19447 1 75 . 1 1 38 38 GLU H H 1 8.4573 . . 1 . . . A 39 GLU H . 19447 1 76 . 1 1 38 38 GLU N N 15 117.5759 . . 1 . . . A 39 GLU N . 19447 1 77 . 1 1 39 39 GLY H H 1 8.7652 . . 1 . . . A 40 GLY H . 19447 1 78 . 1 1 39 39 GLY N N 15 110.7932 . . 1 . . . A 40 GLY N . 19447 1 79 . 1 1 40 40 GLU H H 1 9.0394 . . 1 . . . A 41 GLU H . 19447 1 80 . 1 1 40 40 GLU N N 15 118.9580 . . 1 . . . A 41 GLU N . 19447 1 81 . 1 1 41 41 LEU H H 1 9.0324 . . 1 . . . A 42 LEU H . 19447 1 82 . 1 1 41 41 LEU N N 15 127.6811 . . 1 . . . A 42 LEU N . 19447 1 83 . 1 1 42 42 ASN H H 1 9.5823 . . 1 . . . A 43 ASN H . 19447 1 84 . 1 1 42 42 ASN N N 15 126.6870 . . 1 . . . A 43 ASN N . 19447 1 85 . 1 1 43 43 GLY H H 1 8.9839 . . 1 . . . A 44 GLY H . 19447 1 86 . 1 1 43 43 GLY N N 15 104.0386 . . 1 . . . A 44 GLY N . 19447 1 87 . 1 1 44 44 ARG H H 1 7.7144 . . 1 . . . A 45 ARG H . 19447 1 88 . 1 1 44 44 ARG N N 15 120.1037 . . 1 . . . A 45 ARG N . 19447 1 89 . 1 1 45 45 ARG H H 1 8.5652 . . 1 . . . A 46 ARG H . 19447 1 90 . 1 1 45 45 ARG N N 15 121.8399 . . 1 . . . A 46 ARG N . 19447 1 91 . 1 1 46 46 GLY H H 1 8.6619 . . 1 . . . A 47 GLY H . 19447 1 92 . 1 1 46 46 GLY N N 15 109.6915 . . 1 . . . A 47 GLY N . 19447 1 93 . 1 1 47 47 MET H H 1 8.8615 . . 1 . . . A 48 MET H . 19447 1 94 . 1 1 47 47 MET N N 15 117.1998 . . 1 . . . A 48 MET N . 19447 1 95 . 1 1 48 48 PHE H H 1 8.8294 . . 1 . . . A 49 PHE H . 19447 1 96 . 1 1 48 48 PHE N N 15 116.7175 . . 1 . . . A 49 PHE N . 19447 1 97 . 1 1 50 50 ASP H H 1 8.1756 . . 1 . . . A 51 ASP H . 19447 1 98 . 1 1 50 50 ASP N N 15 120.4852 . . 1 . . . A 51 ASP N . 19447 1 99 . 1 1 51 51 ASN H H 1 8.7211 . . 1 . . . A 52 ASN H . 19447 1 100 . 1 1 51 51 ASN N N 15 110.0397 . . 1 . . . A 52 ASN N . 19447 1 101 . 1 1 52 52 PHE H H 1 7.5357 . . 1 . . . A 53 PHE H . 19447 1 102 . 1 1 52 52 PHE N N 15 117.9612 . . 1 . . . A 53 PHE N . 19447 1 103 . 1 1 53 53 VAL H H 1 7.4643 . . 1 . . . A 54 VAL H . 19447 1 104 . 1 1 53 53 VAL N N 15 109.9805 . . 1 . . . A 54 VAL N . 19447 1 105 . 1 1 54 54 LYS H H 1 9.1562 . . 1 . . . A 55 LYS H . 19447 1 106 . 1 1 54 54 LYS N N 15 120.3570 . . 1 . . . A 55 LYS N . 19447 1 107 . 1 1 55 55 GLU H H 1 8.6768 . . 1 . . . A 56 GLU H . 19447 1 108 . 1 1 55 55 GLU N N 15 128.6891 . . 1 . . . A 56 GLU N . 19447 1 109 . 1 1 56 56 ILE H H 1 8.4395 . . 1 . . . A 57 ILE H . 19447 1 110 . 1 1 56 56 ILE N N 15 127.1399 . . 1 . . . A 57 ILE N . 19447 1 111 . 1 1 57 57 LYS H H 1 8.3463 . . 1 . . . A 58 LYS H . 19447 1 112 . 1 1 57 57 LYS N N 15 128.7337 . . 1 . . . A 58 LYS N . 19447 1 113 . 1 1 58 58 ARG H H 1 8.5355 . . 1 . . . . 59 ARG HN . 19447 1 114 . 1 1 58 58 ARG N N 15 123.6777 . . 1 . . . . 59 ARG N . 19447 1 115 . 1 1 59 59 GLU H H 1 8.6789 . . 1 . . . . 60 GLU HN . 19447 1 116 . 1 1 59 59 GLU N N 15 122.6065 . . 1 . . . . 60 GLU N . 19447 1 117 . 1 1 60 60 THR H H 1 8.0855 . . 1 . . . . 61 THR HN . 19447 1 118 . 1 1 60 60 THR N N 15 114.0068 . . 1 . . . . 61 THR N . 19447 1 119 . 1 1 61 61 GLU H H 1 8.0214 . . 1 . . . . 62 GLU HN . 19447 1 120 . 1 1 61 61 GLU N N 15 128.0030 . . 1 . . . . 62 GLU N . 19447 1 stop_ save_ ################################### # 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_Ubiquitin-CS _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Ubiquitin-CS _Assigned_chem_shift_list.Entry_ID 19447 _Assigned_chem_shift_list.ID 2 _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 _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 6 '2D 1H-15N HSQC' . . . 19447 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 2 2 GLN H H 1 8.9406 . . 1 . . . B 2 GLN H . 19447 2 2 . 2 2 2 2 GLN N N 15 122.7356 . . 1 . . . B 2 GLN N . 19447 2 3 . 2 2 3 3 ILE H H 1 8.2877 . . 1 . . . B 3 ILE H . 19447 2 4 . 2 2 3 3 ILE N N 15 114.9128 . . 1 . . . B 3 ILE N . 19447 2 5 . 2 2 4 4 PHE H H 1 8.6037 . . 1 . . . B 4 PHE H . 19447 2 6 . 2 2 4 4 PHE N N 15 119.0784 . . 1 . . . B 4 PHE N . 19447 2 7 . 2 2 5 5 VAL H H 1 9.2264 . . 1 . . . B 5 VAL H . 19447 2 8 . 2 2 5 5 VAL N N 15 120.9824 . . 1 . . . B 5 VAL N . 19447 2 9 . 2 2 6 6 LYS H H 1 8.7626 . . 1 . . . B 6 LYS H . 19447 2 10 . 2 2 6 6 LYS N N 15 127.9308 . . 1 . . . B 6 LYS N . 19447 2 11 . 2 2 7 7 THR H H 1 8.8171 . . 1 . . . B 7 THR H . 19447 2 12 . 2 2 7 7 THR N N 15 116.7931 . . 1 . . . B 7 THR N . 19447 2 13 . 2 2 8 8 LEU H H 1 8.8958 . . 1 . . . B 8 LEU H . 19447 2 14 . 2 2 8 8 LEU N N 15 121.0708 . . 1 . . . B 8 LEU N . 19447 2 15 . 2 2 9 9 THR H H 1 7.7265 . . 1 . . . B 9 THR H . 19447 2 16 . 2 2 9 9 THR N N 15 106.1762 . . 1 . . . B 9 THR N . 19447 2 17 . 2 2 10 10 GLY H H 1 7.8418 . . 1 . . . B 10 GLY H . 19447 2 18 . 2 2 10 10 GLY N N 15 110.0909 . . 1 . . . B 10 GLY N . 19447 2 19 . 2 2 11 11 LYS H H 1 7.2077 . . 1 . . . B 11 LYS H . 19447 2 20 . 2 2 11 11 LYS N N 15 121.6026 . . 1 . . . B 11 LYS N . 19447 2 21 . 2 2 12 12 THR H H 1 8.6550 . . 1 . . . B 12 THR H . 19447 2 22 . 2 2 12 12 THR N N 15 120.6988 . . 1 . . . B 12 THR N . 19447 2 23 . 2 2 13 13 ILE H H 1 9.4433 . . 1 . . . B 13 ILE H . 19447 2 24 . 2 2 13 13 ILE N N 15 126.8434 . . 1 . . . B 13 ILE N . 19447 2 25 . 2 2 14 14 THR H H 1 8.7054 . . 1 . . . B 14 THR H . 19447 2 26 . 2 2 14 14 THR N N 15 121.2559 . . 1 . . . B 14 THR N . 19447 2 27 . 2 2 15 15 LEU H H 1 8.7480 . . 1 . . . B 15 LEU H . 19447 2 28 . 2 2 15 15 LEU N N 15 125.3824 . . 1 . . . B 15 LEU N . 19447 2 29 . 2 2 16 16 GLU H H 1 8.1422 . . 1 . . . B 16 GLU H . 19447 2 30 . 2 2 16 16 GLU N N 15 122.6980 . . 1 . . . B 16 GLU N . 19447 2 31 . 2 2 17 17 VAL H H 1 8.9398 . . 1 . . . B 17 VAL H . 19447 2 32 . 2 2 17 17 VAL N N 15 117.8273 . . 1 . . . B 17 VAL N . 19447 2 33 . 2 2 18 18 GLU H H 1 8.6633 . . 1 . . . B 18 GLU H . 19447 2 34 . 2 2 18 18 GLU N N 15 119.4972 . . 1 . . . B 18 GLU N . 19447 2 35 . 2 2 20 20 SER H H 1 7.0325 . . 1 . . . B 20 SER H . 19447 2 36 . 2 2 20 20 SER N N 15 103.5587 . . 1 . . . B 20 SER N . 19447 2 37 . 2 2 21 21 ASP H H 1 8.0019 . . 1 . . . B 21 ASP H . 19447 2 38 . 2 2 21 21 ASP N N 15 123.6872 . . 1 . . . B 21 ASP N . 19447 2 39 . 2 2 22 22 THR H H 1 7.9010 . . 1 . . . B 22 THR H . 19447 2 40 . 2 2 22 22 THR N N 15 109.1640 . . 1 . . . B 22 THR N . 19447 2 41 . 2 2 23 23 ILE H H 1 8.5541 . . 1 . . . B 23 ILE H . 19447 2 42 . 2 2 23 23 ILE N N 15 121.5496 . . 1 . . . B 23 ILE N . 19447 2 43 . 2 2 24 24 GLU H H 1 9.7612 . . 1 . . . B 24 GLU H . 19447 2 44 . 2 2 24 24 GLU N N 15 121.3562 . . 1 . . . B 24 GLU N . 19447 2 45 . 2 2 25 25 ASN H H 1 7.9271 . . 1 . . . B 25 ASN H . 19447 2 46 . 2 2 25 25 ASN N N 15 121.4736 . . 1 . . . B 25 ASN N . 19447 2 47 . 2 2 26 26 VAL H H 1 8.1056 . . 1 . . . B 26 VAL H . 19447 2 48 . 2 2 26 26 VAL N N 15 122.2827 . . 1 . . . B 26 VAL N . 19447 2 49 . 2 2 27 27 LYS H H 1 8.5966 . . 1 . . . B 27 LYS H . 19447 2 50 . 2 2 27 27 LYS N N 15 119.0579 . . 1 . . . B 27 LYS N . 19447 2 51 . 2 2 28 28 ALA H H 1 8.0587 . . 1 . . . B 28 ALA H . 19447 2 52 . 2 2 28 28 ALA N N 15 124.0684 . . 1 . . . B 28 ALA N . 19447 2 53 . 2 2 29 29 LYS H H 1 7.8509 . . 1 . . . B 29 LYS H . 19447 2 54 . 2 2 29 29 LYS N N 15 120.3390 . . 1 . . . B 29 LYS N . 19447 2 55 . 2 2 30 30 ILE H H 1 8.2675 . . 1 . . . B 30 ILE H . 19447 2 56 . 2 2 30 30 ILE N N 15 121.3845 . . 1 . . . B 30 ILE N . 19447 2 57 . 2 2 31 31 GLN H H 1 8.5770 . . 1 . . . B 31 GLN H . 19447 2 58 . 2 2 31 31 GLN N N 15 123.7750 . . 1 . . . B 31 GLN N . 19447 2 59 . 2 2 32 32 ASP H H 1 8.0106 . . 1 . . . B 32 ASP H . 19447 2 60 . 2 2 32 32 ASP N N 15 119.8750 . . 1 . . . B 32 ASP N . 19447 2 61 . 2 2 33 33 LYS H H 1 7.4134 . . 1 . . . B 33 LYS H . 19447 2 62 . 2 2 33 33 LYS N N 15 115.6012 . . 1 . . . B 33 LYS N . 19447 2 63 . 2 2 34 34 GLU H H 1 8.7332 . . 1 . . . B 34 GLU H . 19447 2 64 . 2 2 34 34 GLU N N 15 114.3947 . . 1 . . . B 34 GLU N . 19447 2 65 . 2 2 35 35 GLY H H 1 8.5128 . . 1 . . . B 35 GLY H . 19447 2 66 . 2 2 35 35 GLY N N 15 108.9926 . . 1 . . . B 35 GLY N . 19447 2 67 . 2 2 36 36 ILE H H 1 6.1512 . . 1 . . . B 36 ILE H . 19447 2 68 . 2 2 36 36 ILE N N 15 120.4212 . . 1 . . . B 36 ILE N . 19447 2 69 . 2 2 39 39 ASP H H 1 8.5464 . . 1 . . . B 39 ASP H . 19447 2 70 . 2 2 39 39 ASP N N 15 113.6537 . . 1 . . . B 39 ASP N . 19447 2 71 . 2 2 40 40 GLN H H 1 7.8016 . . 1 . . . B 40 GLN H . 19447 2 72 . 2 2 40 40 GLN N N 15 116.9316 . . 1 . . . B 40 GLN N . 19447 2 73 . 2 2 41 41 GLN H H 1 7.4604 . . 1 . . . B 41 GLN H . 19447 2 74 . 2 2 41 41 GLN N N 15 118.0586 . . 1 . . . B 41 GLN N . 19447 2 75 . 2 2 42 42 ARG H H 1 8.4036 . . 1 . . . B 42 ARG H . 19447 2 76 . 2 2 42 42 ARG N N 15 122.7206 . . 1 . . . B 42 ARG N . 19447 2 77 . 2 2 43 43 LEU H H 1 8.8891 . . 1 . . . B 43 LEU H . 19447 2 78 . 2 2 43 43 LEU N N 15 124.5336 . . 1 . . . B 43 LEU N . 19447 2 79 . 2 2 44 44 ILE H H 1 9.2342 . . 1 . . . B 44 ILE H . 19447 2 80 . 2 2 44 44 ILE N N 15 122.9075 . . 1 . . . B 44 ILE N . 19447 2 81 . 2 2 45 45 PHE H H 1 8.9617 . . 1 . . . B 45 PHE H . 19447 2 82 . 2 2 45 45 PHE N N 15 126.4654 . . 1 . . . B 45 PHE N . 19447 2 83 . 2 2 46 46 ALA H H 1 8.9254 . . 1 . . . B 46 ALA H . 19447 2 84 . 2 2 46 46 ALA N N 15 133.3630 . . 1 . . . B 46 ALA N . 19447 2 85 . 2 2 47 47 GLY H H 1 8.3916 . . 1 . . . B 47 GLY H . 19447 2 86 . 2 2 47 47 GLY N N 15 103.1330 . . 1 . . . B 47 GLY N . 19447 2 87 . 2 2 48 48 LYS H H 1 7.8460 . . 1 . . . B 48 LYS H . 19447 2 88 . 2 2 48 48 LYS N N 15 121.3570 . . 1 . . . B 48 LYS N . 19447 2 89 . 2 2 49 49 GLN H H 1 8.6081 . . 1 . . . B 49 GLN H . 19447 2 90 . 2 2 49 49 GLN N N 15 121.9214 . . 1 . . . B 49 GLN N . 19447 2 91 . 2 2 50 50 LEU H H 1 8.6235 . . 1 . . . B 50 LEU H . 19447 2 92 . 2 2 50 50 LEU N N 15 125.9136 . . 1 . . . B 50 LEU N . 19447 2 93 . 2 2 51 51 GLU H H 1 8.4386 . . 1 . . . B 51 GLU H . 19447 2 94 . 2 2 51 51 GLU N N 15 123.3652 . . 1 . . . B 51 GLU N . 19447 2 95 . 2 2 52 52 ASP H H 1 8.1692 . . 1 . . . B 52 ASP H . 19447 2 96 . 2 2 52 52 ASP N N 15 120.7119 . . 1 . . . B 52 ASP N . 19447 2 97 . 2 2 53 53 GLY H H 1 8.2322 . . 1 . . . B 53 GLY H . 19447 2 98 . 2 2 53 53 GLY N N 15 108.5236 . . 1 . . . B 53 GLY N . 19447 2 99 . 2 2 54 54 ARG H H 1 7.4811 . . 1 . . . B 54 ARG H . 19447 2 100 . 2 2 54 54 ARG N N 15 119.5451 . . 1 . . . B 54 ARG N . 19447 2 101 . 2 2 55 55 THR H H 1 8.8399 . . 1 . . . B 55 THR H . 19447 2 102 . 2 2 55 55 THR N N 15 108.9745 . . 1 . . . B 55 THR N . 19447 2 103 . 2 2 56 56 LEU H H 1 8.1351 . . 1 . . . B 56 LEU H . 19447 2 104 . 2 2 56 56 LEU N N 15 118.2391 . . 1 . . . B 56 LEU N . 19447 2 105 . 2 2 57 57 SER H H 1 8.4942 . . 1 . . . B 57 SER H . 19447 2 106 . 2 2 57 57 SER N N 15 113.6076 . . 1 . . . B 57 SER N . 19447 2 107 . 2 2 58 58 ASP H H 1 7.9472 . . 1 . . . B 58 ASP H . 19447 2 108 . 2 2 58 58 ASP N N 15 124.7085 . . 1 . . . B 58 ASP N . 19447 2 109 . 2 2 59 59 TYR H H 1 7.2603 . . 1 . . . B 59 TYR H . 19447 2 110 . 2 2 59 59 TYR N N 15 115.9306 . . 1 . . . B 59 TYR N . 19447 2 111 . 2 2 60 60 ASN H H 1 8.1617 . . 1 . . . B 60 ASN H . 19447 2 112 . 2 2 60 60 ASN N N 15 116.0464 . . 1 . . . B 60 ASN N . 19447 2 113 . 2 2 61 61 ILE H H 1 7.2489 . . 1 . . . B 61 ILE H . 19447 2 114 . 2 2 61 61 ILE N N 15 119.0773 . . 1 . . . B 61 ILE N . 19447 2 115 . 2 2 62 62 GLN H H 1 7.6501 . . 1 . . . B 62 GLN H . 19447 2 116 . 2 2 62 62 GLN N N 15 125.0868 . . 1 . . . B 62 GLN N . 19447 2 117 . 2 2 63 63 LYS H H 1 8.4949 . . 1 . . . B 63 LYS H . 19447 2 118 . 2 2 63 63 LYS N N 15 120.6913 . . 1 . . . B 63 LYS N . 19447 2 119 . 2 2 64 64 GLU H H 1 9.3047 . . 1 . . . B 64 GLU H . 19447 2 120 . 2 2 64 64 GLU N N 15 114.7634 . . 1 . . . B 64 GLU N . 19447 2 121 . 2 2 65 65 SER H H 1 7.6469 . . 1 . . . B 65 SER H . 19447 2 122 . 2 2 65 65 SER N N 15 114.9971 . . 1 . . . B 65 SER N . 19447 2 123 . 2 2 66 66 THR H H 1 8.7434 . . 1 . . . B 66 THR H . 19447 2 124 . 2 2 66 66 THR N N 15 117.8919 . . 1 . . . B 66 THR N . 19447 2 125 . 2 2 67 67 LEU H H 1 9.2992 . . 1 . . . B 67 LEU H . 19447 2 126 . 2 2 67 67 LEU N N 15 127.2772 . . 1 . . . B 67 LEU N . 19447 2 127 . 2 2 68 68 HIS H H 1 8.9807 . . 1 . . . B 68 HIS H . 19447 2 128 . 2 2 68 68 HIS N N 15 118.4695 . . 1 . . . B 68 HIS N . 19447 2 129 . 2 2 69 69 LEU H H 1 8.1310 . . 1 . . . B 69 LEU H . 19447 2 130 . 2 2 69 69 LEU N N 15 123.5272 . . 1 . . . B 69 LEU N . 19447 2 131 . 2 2 70 70 VAL H H 1 9.1458 . . 1 . . . B 70 VAL H . 19447 2 132 . 2 2 70 70 VAL N N 15 125.2070 . . 1 . . . B 70 VAL N . 19447 2 133 . 2 2 71 71 LEU H H 1 7.9182 . . 1 . . . B 71 LEU H . 19447 2 134 . 2 2 71 71 LEU N N 15 123.3845 . . 1 . . . B 71 LEU N . 19447 2 135 . 2 2 72 72 ARG H H 1 8.7248 . . 1 . . . B 72 ARG H . 19447 2 136 . 2 2 72 72 ARG N N 15 123.7981 . . 1 . . . B 72 ARG N . 19447 2 137 . 2 2 73 73 LEU H H 1 8.7052 . . 1 . . . B 73 LEU H . 19447 2 138 . 2 2 73 73 LEU N N 15 125.2946 . . 1 . . . B 73 LEU N . 19447 2 139 . 2 2 74 74 ARG H H 1 8.5483 . . 1 . . . B 74 ARG H . 19447 2 140 . 2 2 74 74 ARG N N 15 122.5154 . . 1 . . . B 74 ARG N . 19447 2 141 . 2 2 75 75 GLY H H 1 8.5294 . . 1 . . . B 75 GLY H . 19447 2 142 . 2 2 75 75 GLY N N 15 110.4934 . . 1 . . . B 75 GLY N . 19447 2 143 . 2 2 76 76 GLY H H 1 8.1557 . . 1 . . . B 76 GLY H . 19447 2 144 . 2 2 76 76 GLY N N 15 115.1597 . . 1 . . . B 76 GLY N . 19447 2 stop_ save_