################################### # 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 27107 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27107 1 2 '3D HNCO' . . . 27107 1 3 '3D HNCACB' . . . 27107 1 4 '3D HN(CO)CA' . . . 27107 1 5 '3D HN(COCA)CB' . . . 27107 1 6 HN(CA)CO . . . 27107 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 3 3 PRO C C 13 76.9721832 . . . . . . . . 93 PRO C . 27107 1 2 . 1 . 1 3 3 PRO CA C 13 62.51211166 . . . . . . . . 93 PRO CA . 27107 1 3 . 1 . 1 3 3 PRO CB C 13 30.99514008 . . . . . . . . 93 PRO CB . 27107 1 4 . 1 . 1 4 4 ARG H H 1 8.278209686 . . . . . . . . 94 ARG H . 27107 1 5 . 1 . 1 4 4 ARG C C 13 176.292984 . . . . . . . . 94 ARG C . 27107 1 6 . 1 . 1 4 4 ARG CA C 13 55.54219818 . . . . . . . . 94 ARG CA . 27107 1 7 . 1 . 1 4 4 ARG CB C 13 29.89325905 . . . . . . . . 94 ARG CB . 27107 1 8 . 1 . 1 4 4 ARG N N 15 121.7316132 . . . . . . . . 94 ARG N . 27107 1 9 . 1 . 1 5 5 LYS H H 1 8.238519669 . . . . . . . . 95 LYS H . 27107 1 10 . 1 . 1 5 5 LYS C C 13 176.6025391 . . . . . . . . 95 LYS C . 27107 1 11 . 1 . 1 5 5 LYS CA C 13 55.60388184 . . . . . . . . 95 LYS CA . 27107 1 12 . 1 . 1 5 5 LYS CB C 13 32.88985062 . . . . . . . . 95 LYS CB . 27107 1 13 . 1 . 1 5 5 LYS N N 15 123.6190567 . . . . . . . . 95 LYS N . 27107 1 14 . 1 . 1 6 6 THR H H 1 8.377750397 . . . . . . . . 96 THR H . 27107 1 15 . 1 . 1 6 6 THR C C 13 173.470993 . . . . . . . . 96 THR C . 27107 1 16 . 1 . 1 6 6 THR CA C 13 59.59056091 . . . . . . . . 96 THR CA . 27107 1 17 . 1 . 1 6 6 THR CB C 13 68.57684326 . . . . . . . . 96 THR CB . 27107 1 18 . 1 . 1 6 6 THR N N 15 116.2174988 . . . . . . . . 96 THR N . 27107 1 19 . 1 . 1 7 7 PRO C C 13 178.4483 . . . . . . . . 97 PRO C . 27107 1 20 . 1 . 1 7 7 PRO CA C 13 64.33695221 . . . . . . . . 97 PRO CA . 27107 1 21 . 1 . 1 7 7 PRO CB C 13 30.97784042 . . . . . . . . 97 PRO CB . 27107 1 22 . 1 . 1 8 8 GLU H H 1 8.57831955 . . . . . . . . 98 GLU H . 27107 1 23 . 1 . 1 8 8 GLU C C 13 178.143219 . . . . . . . . 98 GLU C . 27107 1 24 . 1 . 1 8 8 GLU CA C 13 58.28615952 . . . . . . . . 98 GLU CA . 27107 1 25 . 1 . 1 8 8 GLU CB C 13 28.49754906 . . . . . . . . 98 GLU CB . 27107 1 26 . 1 . 1 8 8 GLU N N 15 119.0462036 . . . . . . . . 98 GLU N . 27107 1 27 . 1 . 1 9 9 GLU H H 1 7.958620071 . . . . . . . . 99 GLU H . 27107 1 28 . 1 . 1 9 9 GLU C C 13 178.0527954 . . . . . . . . 99 GLU C . 27107 1 29 . 1 . 1 9 9 GLU CA C 13 57.58858109 . . . . . . . . 99 GLU CA . 27107 1 30 . 1 . 1 9 9 GLU CB C 13 29.35280991 . . . . . . . . 99 GLU CB . 27107 1 31 . 1 . 1 9 9 GLU N N 15 121.813652 . . . . . . . . 99 GLU N . 27107 1 32 . 1 . 1 10 10 ILE H H 1 7.987659931 . . . . . . . . 100 ILE H . 27107 1 33 . 1 . 1 10 10 ILE C C 13 177.3727875 . . . . . . . . 100 ILE C . 27107 1 34 . 1 . 1 10 10 ILE CA C 13 62.44487 . . . . . . . . 100 ILE CA . 27107 1 35 . 1 . 1 10 10 ILE CB C 13 37.39110947 . . . . . . . . 100 ILE CB . 27107 1 36 . 1 . 1 10 10 ILE N N 15 121.6238327 . . . . . . . . 100 ILE N . 27107 1 37 . 1 . 1 11 11 ALA H H 1 8.056889534 . . . . . . . . 101 ALA H . 27107 1 38 . 1 . 1 11 11 ALA C C 13 178.594223 . . . . . . . . 101 ALA C . 27107 1 39 . 1 . 1 11 11 ALA CA C 13 53.01063156 . . . . . . . . 101 ALA CA . 27107 1 40 . 1 . 1 11 11 ALA CB C 13 17.8380394 . . . . . . . . 101 ALA CB . 27107 1 41 . 1 . 1 11 11 ALA N N 15 124.8231735 . . . . . . . . 101 ALA N . 27107 1 42 . 1 . 1 12 12 ALA H H 1 7.781829834 . . . . . . . . 102 ALA H . 27107 1 43 . 1 . 1 12 12 ALA C C 13 178.7156219 . . . . . . . . 102 ALA C . 27107 1 44 . 1 . 1 12 12 ALA CA C 13 52.89999008 . . . . . . . . 102 ALA CA . 27107 1 45 . 1 . 1 12 12 ALA CB C 13 18.01148033 . . . . . . . . 102 ALA CB . 27107 1 46 . 1 . 1 12 12 ALA N N 15 121.4742508 . . . . . . . . 102 ALA N . 27107 1 47 . 1 . 1 13 13 GLU H H 1 7.909500122 . . . . . . . . 103 GLU H . 27107 1 48 . 1 . 1 13 13 GLU C C 13 177.1771088 . . . . . . . . 103 GLU C . 27107 1 49 . 1 . 1 13 13 GLU CA C 13 56.64884186 . . . . . . . . 103 GLU CA . 27107 1 50 . 1 . 1 13 13 GLU CB C 13 29.1112709 . . . . . . . . 103 GLU CB . 27107 1 51 . 1 . 1 13 13 GLU N N 15 118.9404068 . . . . . . . . 103 GLU N . 27107 1 52 . 1 . 1 14 14 MET H H 1 7.989250183 . . . . . . . . 104 MET H . 27107 1 53 . 1 . 1 14 14 MET C C 13 176.2197876 . . . . . . . . 104 MET C . 27107 1 54 . 1 . 1 14 14 MET CA C 13 55.64748001 . . . . . . . . 104 MET CA . 27107 1 55 . 1 . 1 14 14 MET CB C 13 31.98899078 . . . . . . . . 104 MET CB . 27107 1 56 . 1 . 1 14 14 MET N N 15 120.0906677 . . . . . . . . 104 MET N . 27107 1 57 . 1 . 1 15 15 ASN H H 1 8.203789711 . . . . . . . . 105 ASN H . 27107 1 58 . 1 . 1 15 15 ASN C C 13 174.8764954 . . . . . . . . 105 ASN C . 27107 1 59 . 1 . 1 15 15 ASN CA C 13 52.85192108 . . . . . . . . 105 ASN CA . 27107 1 60 . 1 . 1 15 15 ASN CB C 13 38.44565964 . . . . . . . . 105 ASN CB . 27107 1 61 . 1 . 1 15 15 ASN N N 15 119.740593 . . . . . . . . 105 ASN N . 27107 1 62 . 1 . 1 16 16 ALA H H 1 8.080269814 . . . . . . . . 106 ALA H . 27107 1 63 . 1 . 1 16 16 ALA C C 13 177.7799835 . . . . . . . . 106 ALA C . 27107 1 64 . 1 . 1 16 16 ALA CA C 13 52.43172836 . . . . . . . . 106 ALA CA . 27107 1 65 . 1 . 1 16 16 ALA CB C 13 18.52397919 . . . . . . . . 106 ALA CB . 27107 1 66 . 1 . 1 16 16 ALA N N 15 124.8231735 . . . . . . . . 106 ALA N . 27107 1 67 . 1 . 1 17 17 GLU H H 1 8.215200424 . . . . . . . . 107 GLU H . 27107 1 68 . 1 . 1 17 17 GLU C C 13 176.2723389 . . . . . . . . 107 GLU C . 27107 1 69 . 1 . 1 17 17 GLU CA C 13 56.23200989 . . . . . . . . 107 GLU CA . 27107 1 70 . 1 . 1 17 17 GLU CB C 13 29.40870094 . . . . . . . . 107 GLU CB . 27107 1 71 . 1 . 1 17 17 GLU N N 15 120.0576782 . . . . . . . . 107 GLU N . 27107 1 72 . 1 . 1 18 18 ASP H H 1 8.142860413 . . . . . . . . 108 ASP H . 27107 1 73 . 1 . 1 18 18 ASP C C 13 175.7939148 . . . . . . . . 108 ASP C . 27107 1 74 . 1 . 1 18 18 ASP CA C 13 53.96020889 . . . . . . . . 108 ASP CA . 27107 1 75 . 1 . 1 18 18 ASP CB C 13 40.60379028 . . . . . . . . 108 ASP CB . 27107 1 76 . 1 . 1 18 18 ASP N N 15 121.3968506 . . . . . . . . 108 ASP N . 27107 1 77 . 1 . 1 19 19 ASP H H 1 8.180549622 . . . . . . . . 109 ASP H . 27107 1 78 . 1 . 1 19 19 ASP C C 13 176.226181 . . . . . . . . 109 ASP C . 27107 1 79 . 1 . 1 19 19 ASP CA C 13 53.66542816 . . . . . . . . 109 ASP CA . 27107 1 80 . 1 . 1 19 19 ASP CB C 13 40.4504509 . . . . . . . . 109 ASP CB . 27107 1 81 . 1 . 1 19 19 ASP N N 15 122.3870163 . . . . . . . . 109 ASP N . 27107 1 82 . 1 . 1 20 20 SER H H 1 8.155730247 . . . . . . . . 110 SER H . 27107 1 83 . 1 . 1 20 20 SER C C 13 175.1689911 . . . . . . . . 110 SER C . 27107 1 84 . 1 . 1 20 20 SER CA C 13 57.41524887 . . . . . . . . 110 SER CA . 27107 1 85 . 1 . 1 20 20 SER CB C 13 64.30130005 . . . . . . . . 110 SER CB . 27107 1 86 . 1 . 1 20 20 SER N N 15 116.2143936 . . . . . . . . 110 SER N . 27107 1 87 . 1 . 1 21 21 LEU H H 1 9.194569588 . . . . . . . . 111 LEU H . 27107 1 88 . 1 . 1 21 21 LEU C C 13 178.5616913 . . . . . . . . 111 LEU C . 27107 1 89 . 1 . 1 21 21 LEU CA C 13 57.52505112 . . . . . . . . 111 LEU CA . 27107 1 90 . 1 . 1 21 21 LEU CB C 13 41.13896179 . . . . . . . . 111 LEU CB . 27107 1 91 . 1 . 1 21 21 LEU N N 15 126.824707 . . . . . . . . 111 LEU N . 27107 1 92 . 1 . 1 22 22 ILE H H 1 8.055640221 . . . . . . . . 112 ILE H . 27107 1 93 . 1 . 1 22 22 ILE C C 13 178.1021423 . . . . . . . . 112 ILE C . 27107 1 94 . 1 . 1 22 22 ILE CA C 13 63.6747818 . . . . . . . . 112 ILE CA . 27107 1 95 . 1 . 1 22 22 ILE CB C 13 36.39928055 . . . . . . . . 112 ILE CB . 27107 1 96 . 1 . 1 22 22 ILE N N 15 116.5156631 . . . . . . . . 112 ILE N . 27107 1 97 . 1 . 1 23 23 GLY H H 1 7.877460003 . . . . . . . . 113 GLY H . 27107 1 98 . 1 . 1 23 23 GLY C C 13 177.2792816 . . . . . . . . 113 GLY C . 27107 1 99 . 1 . 1 23 23 GLY CA C 13 46.2884407 . . . . . . . . 113 GLY CA . 27107 1 100 . 1 . 1 23 23 GLY N N 15 108.8592224 . . . . . . . . 113 GLY N . 27107 1 101 . 1 . 1 24 24 GLN H H 1 8.318169594 . . . . . . . . 114 GLN H . 27107 1 102 . 1 . 1 24 24 GLN C C 13 177.9815674 . . . . . . . . 114 GLN C . 27107 1 103 . 1 . 1 24 24 GLN CA C 13 57.68981171 . . . . . . . . 114 GLN CA . 27107 1 104 . 1 . 1 24 24 GLN CB C 13 28.11994934 . . . . . . . . 114 GLN CB . 27107 1 105 . 1 . 1 24 24 GLN N N 15 122.3418274 . . . . . . . . 114 GLN N . 27107 1 106 . 1 . 1 25 25 LEU H H 1 7.804880142 . . . . . . . . 115 LEU H . 27107 1 107 . 1 . 1 25 25 LEU C C 13 176.8816833 . . . . . . . . 115 LEU C . 27107 1 108 . 1 . 1 25 25 LEU CA C 13 54.98936081 . . . . . . . . 115 LEU CA . 27107 1 109 . 1 . 1 25 25 LEU CB C 13 41.64896011 . . . . . . . . 115 LEU CB . 27107 1 110 . 1 . 1 25 25 LEU N N 15 117.4813232 . . . . . . . . 115 LEU N . 27107 1 111 . 1 . 1 26 26 GLY H H 1 7.83698988 . . . . . . . . 116 GLY H . 27107 1 112 . 1 . 1 26 26 GLY C C 13 176.0315399 . . . . . . . . 116 GLY C . 27107 1 113 . 1 . 1 26 26 GLY CA C 13 45.97822189 . . . . . . . . 116 GLY CA . 27107 1 114 . 1 . 1 26 26 GLY N N 15 107.0099564 . . . . . . . . 116 GLY N . 27107 1 115 . 1 . 1 27 27 LEU H H 1 7.893789768 . . . . . . . . 117 LEU H . 27107 1 116 . 1 . 1 27 27 LEU C C 13 177.2535553 . . . . . . . . 117 LEU C . 27107 1 117 . 1 . 1 27 27 LEU CA C 13 54.64360809 . . . . . . . . 117 LEU CA . 27107 1 118 . 1 . 1 27 27 LEU CB C 13 42.26887894 . . . . . . . . 117 LEU CB . 27107 1 119 . 1 . 1 27 27 LEU N N 15 117.9013138 . . . . . . . . 117 LEU N . 27107 1 120 . 1 . 1 28 28 THR H H 1 7.794690132 . . . . . . . . 118 THR H . 27107 1 121 . 1 . 1 28 28 THR C C 13 176.2631989 . . . . . . . . 118 THR C . 27107 1 122 . 1 . 1 28 28 THR CA C 13 66.08386993 . . . . . . . . 118 THR CA . 27107 1 123 . 1 . 1 28 28 THR CB C 13 68.22994995 . . . . . . . . 118 THR CB . 27107 1 124 . 1 . 1 28 28 THR N N 15 115.5407028 . . . . . . . . 118 THR N . 27107 1 125 . 1 . 1 29 29 GLU H H 1 8.658260345 . . . . . . . . 119 GLU H . 27107 1 126 . 1 . 1 29 29 GLU C C 13 178.8199615 . . . . . . . . 119 GLU C . 27107 1 127 . 1 . 1 29 29 GLU CA C 13 58.87223816 . . . . . . . . 119 GLU CA . 27107 1 128 . 1 . 1 29 29 GLU CB C 13 28.36980057 . . . . . . . . 119 GLU CB . 27107 1 129 . 1 . 1 29 29 GLU N N 15 120.4428024 . . . . . . . . 119 GLU N . 27107 1 130 . 1 . 1 30 30 GLN H H 1 8.09444046 . . . . . . . . 120 GLN H . 27107 1 131 . 1 . 1 30 30 GLN C C 13 178.1573639 . . . . . . . . 120 GLN C . 27107 1 132 . 1 . 1 30 30 GLN CA C 13 58.72286987 . . . . . . . . 120 GLN CA . 27107 1 133 . 1 . 1 30 30 GLN CB C 13 27.13426018 . . . . . . . . 120 GLN CB . 27107 1 134 . 1 . 1 30 30 GLN N N 15 119.1599808 . . . . . . . . 120 GLN N . 27107 1 135 . 1 . 1 31 31 VAL H H 1 8.09965992 . . . . . . . . 121 VAL H . 27107 1 136 . 1 . 1 31 31 VAL C C 13 177.4781647 . . . . . . . . 121 VAL C . 27107 1 137 . 1 . 1 31 31 VAL CA C 13 66.15484619 . . . . . . . . 121 VAL CA . 27107 1 138 . 1 . 1 31 31 VAL CB C 13 30.38969994 . . . . . . . . 121 VAL CB . 27107 1 139 . 1 . 1 31 31 VAL N N 15 119.4283676 . . . . . . . . 121 VAL N . 27107 1 140 . 1 . 1 32 32 GLU H H 1 7.947770119 . . . . . . . . 122 GLU H . 27107 1 141 . 1 . 1 32 32 GLU C C 13 179.6310883 . . . . . . . . 122 GLU C . 27107 1 142 . 1 . 1 32 32 GLU CA C 13 58.95999908 . . . . . . . . 122 GLU CA . 27107 1 143 . 1 . 1 32 32 GLU CB C 13 28.15110016 . . . . . . . . 122 GLU CB . 27107 1 144 . 1 . 1 32 32 GLU N N 15 119.6738434 . . . . . . . . 122 GLU N . 27107 1 145 . 1 . 1 33 33 LYS H H 1 7.833099842 . . . . . . . . 123 LYS H . 27107 1 146 . 1 . 1 33 33 LYS C C 13 179.0879822 . . . . . . . . 123 LYS C . 27107 1 147 . 1 . 1 33 33 LYS CA C 13 58.84320831 . . . . . . . . 123 LYS CA . 27107 1 148 . 1 . 1 33 33 LYS CB C 13 31.2948494 . . . . . . . . 123 LYS CB . 27107 1 149 . 1 . 1 33 33 LYS N N 15 119.8510437 . . . . . . . . 123 LYS N . 27107 1 150 . 1 . 1 34 34 ALA H H 1 8.230420113 . . . . . . . . 124 ALA H . 27107 1 151 . 1 . 1 34 34 ALA C C 13 179.062439 . . . . . . . . 124 ALA C . 27107 1 152 . 1 . 1 34 34 ALA CA C 13 54.75794983 . . . . . . . . 124 ALA CA . 27107 1 153 . 1 . 1 34 34 ALA CB C 13 17.45863914 . . . . . . . . 124 ALA CB . 27107 1 154 . 1 . 1 34 34 ALA N N 15 122.5167236 . . . . . . . . 124 ALA N . 27107 1 155 . 1 . 1 35 35 LYS H H 1 8.327969551 . . . . . . . . 125 LYS H . 27107 1 156 . 1 . 1 35 35 LYS C C 13 179.111618 . . . . . . . . 125 LYS C . 27107 1 157 . 1 . 1 35 35 LYS CA C 13 60.02695847 . . . . . . . . 125 LYS CA . 27107 1 158 . 1 . 1 35 35 LYS CB C 13 31.58217049 . . . . . . . . 125 LYS CB . 27107 1 159 . 1 . 1 35 35 LYS N N 15 117.0874405 . . . . . . . . 125 LYS N . 27107 1 160 . 1 . 1 36 36 THR H H 1 7.944610119 . . . . . . . . 126 THR H . 27107 1 161 . 1 . 1 36 36 THR C C 13 177.0162964 . . . . . . . . 126 THR C . 27107 1 162 . 1 . 1 36 36 THR CA C 13 65.33368683 . . . . . . . . 126 THR CA . 27107 1 163 . 1 . 1 36 36 THR CB C 13 68.41713715 . . . . . . . . 126 THR CB . 27107 1 164 . 1 . 1 36 36 THR N N 15 115.0073929 . . . . . . . . 126 THR N . 27107 1 165 . 1 . 1 37 37 MET H H 1 8.093720436 . . . . . . . . 127 MET H . 27107 1 166 . 1 . 1 37 37 MET C C 13 177.6620636 . . . . . . . . 127 MET C . 27107 1 167 . 1 . 1 37 37 MET CA C 13 57.76467133 . . . . . . . . 127 MET CA . 27107 1 168 . 1 . 1 37 37 MET CB C 13 32.43778992 . . . . . . . . 127 MET CB . 27107 1 169 . 1 . 1 37 37 MET N N 15 121.9487076 . . . . . . . . 127 MET N . 27107 1 170 . 1 . 1 38 38 ALA H H 1 8.258810043 . . . . . . . . 128 ALA H . 27107 1 171 . 1 . 1 38 38 ALA C C 13 178.4326477 . . . . . . . . 128 ALA C . 27107 1 172 . 1 . 1 38 38 ALA CA C 13 54.31105042 . . . . . . . . 128 ALA CA . 27107 1 173 . 1 . 1 38 38 ALA CB C 13 18.00912094 . . . . . . . . 128 ALA CB . 27107 1 174 . 1 . 1 38 38 ALA N N 15 121.2598801 . . . . . . . . 128 ALA N . 27107 1 175 . 1 . 1 39 39 THR H H 1 8.04047966 . . . . . . . . 129 THR H . 27107 1 176 . 1 . 1 39 39 THR C C 13 176.944931 . . . . . . . . 129 THR C . 27107 1 177 . 1 . 1 39 39 THR CA C 13 66.09879303 . . . . . . . . 129 THR CA . 27107 1 178 . 1 . 1 39 39 THR CB C 13 68.15345764 . . . . . . . . 129 THR CB . 27107 1 179 . 1 . 1 39 39 THR N N 15 112.6270599 . . . . . . . . 129 THR N . 27107 1 180 . 1 . 1 40 40 GLY H H 1 8.209569931 . . . . . . . . 130 GLY H . 27107 1 181 . 1 . 1 40 40 GLY C C 13 176.304718 . . . . . . . . 130 GLY C . 27107 1 182 . 1 . 1 40 40 GLY CA C 13 46.43397903 . . . . . . . . 130 GLY CA . 27107 1 183 . 1 . 1 40 40 GLY N N 15 110.4605637 . . . . . . . . 130 GLY N . 27107 1 184 . 1 . 1 41 41 ALA H H 1 8.175680161 . . . . . . . . 131 ALA H . 27107 1 185 . 1 . 1 41 41 ALA C C 13 178.8771057 . . . . . . . . 131 ALA C . 27107 1 186 . 1 . 1 41 41 ALA CA C 13 54.07580185 . . . . . . . . 131 ALA CA . 27107 1 187 . 1 . 1 41 41 ALA CB C 13 18.00658035 . . . . . . . . 131 ALA CB . 27107 1 188 . 1 . 1 41 41 ALA N N 15 124.5500031 . . . . . . . . 131 ALA N . 27107 1 189 . 1 . 1 42 42 PHE H H 1 8.362170219 . . . . . . . . 132 PHE H . 27107 1 190 . 1 . 1 42 42 PHE C C 13 176.8199463 . . . . . . . . 132 PHE C . 27107 1 191 . 1 . 1 42 42 PHE CA C 13 60.36589813 . . . . . . . . 132 PHE CA . 27107 1 192 . 1 . 1 42 42 PHE CB C 13 38.15468979 . . . . . . . . 132 PHE CB . 27107 1 193 . 1 . 1 42 42 PHE N N 15 118.583252 . . . . . . . . 132 PHE N . 27107 1 194 . 1 . 1 43 43 GLU H H 1 8.208189964 . . . . . . . . 133 GLU H . 27107 1 195 . 1 . 1 43 43 GLU C C 13 179.1570587 . . . . . . . . 133 GLU C . 27107 1 196 . 1 . 1 43 43 GLU CA C 13 58.86613083 . . . . . . . . 133 GLU CA . 27107 1 197 . 1 . 1 43 43 GLU CB C 13 28.45677948 . . . . . . . . 133 GLU CB . 27107 1 198 . 1 . 1 43 43 GLU N N 15 117.4025192 . . . . . . . . 133 GLU N . 27107 1 199 . 1 . 1 44 44 THR H H 1 7.794690132 . . . . . . . . 134 THR H . 27107 1 200 . 1 . 1 44 44 THR C C 13 176.2631989 . . . . . . . . 134 THR C . 27107 1 201 . 1 . 1 44 44 THR CA C 13 66.08386993 . . . . . . . . 134 THR CA . 27107 1 202 . 1 . 1 44 44 THR CB C 13 68.22994995 . . . . . . . . 134 THR CB . 27107 1 203 . 1 . 1 44 44 THR N N 15 115.5407028 . . . . . . . . 134 THR N . 27107 1 204 . 1 . 1 45 45 VAL H H 1 7.877630234 . . . . . . . . 135 VAL H . 27107 1 205 . 1 . 1 45 45 VAL C C 13 177.2496948 . . . . . . . . 135 VAL C . 27107 1 206 . 1 . 1 45 45 VAL CA C 13 64.47715759 . . . . . . . . 135 VAL CA . 27107 1 207 . 1 . 1 45 45 VAL CB C 13 30.72823906 . . . . . . . . 135 VAL CB . 27107 1 208 . 1 . 1 45 45 VAL N N 15 118.6092834 . . . . . . . . 135 VAL N . 27107 1 209 . 1 . 1 46 46 LYS H H 1 7.909430027 . . . . . . . . 136 LYS H . 27107 1 210 . 1 . 1 46 46 LYS C C 13 178.0884094 . . . . . . . . 136 LYS C . 27107 1 211 . 1 . 1 46 46 LYS CA C 13 58.87355042 . . . . . . . . 136 LYS CA . 27107 1 212 . 1 . 1 46 46 LYS CB C 13 30.88419914 . . . . . . . . 136 LYS CB . 27107 1 213 . 1 . 1 46 46 LYS N N 15 119.6813126 . . . . . . . . 136 LYS N . 27107 1 214 . 1 . 1 47 47 GLY H H 1 7.698090076 . . . . . . . . 137 GLY H . 27107 1 215 . 1 . 1 47 47 GLY C C 13 174.6108856 . . . . . . . . 137 GLY C . 27107 1 216 . 1 . 1 47 47 GLY CA C 13 45.3593483 . . . . . . . . 137 GLY CA . 27107 1 217 . 1 . 1 47 47 GLY N N 15 105.074028 . . . . . . . . 137 GLY N . 27107 1 218 . 1 . 1 48 48 PHE H H 1 7.710330009 . . . . . . . . 138 PHE H . 27107 1 219 . 1 . 1 48 48 PHE C C 13 174.8826141 . . . . . . . . 138 PHE C . 27107 1 220 . 1 . 1 48 48 PHE CA C 13 57.68412018 . . . . . . . . 138 PHE CA . 27107 1 221 . 1 . 1 48 48 PHE CB C 13 38.90412903 . . . . . . . . 138 PHE CB . 27107 1 222 . 1 . 1 48 48 PHE N N 15 118.4872131 . . . . . . . . 138 PHE N . 27107 1 223 . 1 . 1 49 49 PHE H H 1 7.651219845 . . . . . . . . 139 PHE H . 27107 1 224 . 1 . 1 49 49 PHE C C 13 174.3453522 . . . . . . . . 139 PHE C . 27107 1 225 . 1 . 1 49 49 PHE CA C 13 55.19430923 . . . . . . . . 139 PHE CA . 27107 1 226 . 1 . 1 49 49 PHE CB C 13 38.88122177 . . . . . . . . 139 PHE CB . 27107 1 227 . 1 . 1 49 49 PHE N N 15 118.8599014 . . . . . . . . 139 PHE N . 27107 1 228 . 1 . 1 50 50 PRO C C 13 175.942 . . . . . . . . 140 PRO C . 27107 1 229 . 1 . 1 50 50 PRO CA C 13 62.95875168 . . . . . . . . 140 PRO CA . 27107 1 230 . 1 . 1 50 50 PRO CB C 13 29.82979012 . . . . . . . . 140 PRO CB . 27107 1 231 . 1 . 1 51 51 PHE H H 1 7.434740067 . . . . . . . . 141 PHE H . 27107 1 232 . 1 . 1 51 51 PHE C C 13 175.9975739 . . . . . . . . 141 PHE C . 27107 1 233 . 1 . 1 51 51 PHE CA C 13 56.84447098 . . . . . . . . 141 PHE CA . 27107 1 234 . 1 . 1 51 51 PHE CB C 13 38.84352112 . . . . . . . . 141 PHE CB . 27107 1 235 . 1 . 1 51 51 PHE N N 15 118.7380981 . . . . . . . . 141 PHE N . 27107 1 236 . 1 . 1 52 52 GLY H H 1 8.477069855 . . . . . . . . 142 GLY H . 27107 1 237 . 1 . 1 52 52 GLY C C 13 173.0717316 . . . . . . . . 142 GLY C . 27107 1 238 . 1 . 1 52 52 GLY CA C 13 45.17261124 . . . . . . . . 142 GLY CA . 27107 1 239 . 1 . 1 52 52 GLY N N 15 109.9694672 . . . . . . . . 142 GLY N . 27107 1 240 . 1 . 1 53 53 LYS H H 1 7.67565012 . . . . . . . . 143 LYS H . 27107 1 241 . 1 . 1 53 53 LYS C C 13 181.3622284 . . . . . . . . 143 LYS C . 27107 1 242 . 1 . 1 53 53 LYS CA C 13 57.25440979 . . . . . . . . 143 LYS CA . 27107 1 243 . 1 . 1 53 53 LYS CB C 13 32.7523613 . . . . . . . . 143 LYS CB . 27107 1 244 . 1 . 1 53 53 LYS N N 15 125.7535019 . . . . . . . . 143 LYS N . 27107 1 stop_ save_