################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7134 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 $sample_1 . 7134 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 2 2 SER C C 13 174.2491 0.03 . . . . . . . . . . 7134 1 2 . 1 1 2 2 SER CA C 13 58.1213 0.03 . . . . . . . . . . 7134 1 3 . 1 1 2 2 SER HA H 1 4.4300 0.005 . . . . . . . . . . 7134 1 4 . 1 1 3 3 ARG H H 1 8.5566 0.005 . . . . . . . . . . 7134 1 5 . 1 1 3 3 ARG N N 15 123.1926 0.03 . . . . . . . . . . 7134 1 6 . 1 1 3 3 ARG C C 13 175.6874 0.03 . . . . . . . . . . 7134 1 7 . 1 1 3 3 ARG CA C 13 55.9392 0.03 . . . . . . . . . . 7134 1 8 . 1 1 3 3 ARG HA H 1 4.2527 0.005 . . . . . . . . . . 7134 1 9 . 1 1 4 4 ARG H H 1 8.4114 0.005 . . . . . . . . . . 7134 1 10 . 1 1 4 4 ARG N N 15 123.6680 0.03 . . . . . . . . . . 7134 1 11 . 1 1 4 4 ARG C C 13 174.7706 0.03 . . . . . . . . . . 7134 1 12 . 1 1 4 4 ARG CA C 13 55.8972 0.03 . . . . . . . . . . 7134 1 13 . 1 1 4 4 ARG HA H 1 4.0672 0.005 . . . . . . . . . . 7134 1 14 . 1 1 5 5 ILE H H 1 8.0844 0.005 . . . . . . . . . . 7134 1 15 . 1 1 5 5 ILE N N 15 123.2010 0.03 . . . . . . . . . . 7134 1 16 . 1 1 5 5 ILE C C 13 175.4758 0.03 . . . . . . . . . . 7134 1 17 . 1 1 5 5 ILE CA C 13 59.6273 0.03 . . . . . . . . . . 7134 1 18 . 1 1 5 5 ILE HA H 1 3.9847 0.005 . . . . . . . . . . 7134 1 19 . 1 1 6 6 PHE H H 1 8.7729 0.005 . . . . . . . . . . 7134 1 20 . 1 1 6 6 PHE N N 15 126.2860 0.03 . . . . . . . . . . 7134 1 21 . 1 1 6 6 PHE C C 13 175.2090 0.03 . . . . . . . . . . 7134 1 22 . 1 1 6 6 PHE CA C 13 55.7458 0.03 . . . . . . . . . . 7134 1 23 . 1 1 6 6 PHE HA H 1 4.7210 0.005 . . . . . . . . . . 7134 1 24 . 1 1 7 7 THR H H 1 8.2582 0.005 . . . . . . . . . . 7134 1 25 . 1 1 7 7 THR N N 15 115.1700 0.03 . . . . . . . . . . 7134 1 26 . 1 1 8 8 PRO C C 13 177.8535 0.03 . . . . . . . . . . 7134 1 27 . 1 1 8 8 PRO CA C 13 65.5172 0.03 . . . . . . . . . . 7134 1 28 . 1 1 8 8 PRO HA H 1 3.9199 0.005 . . . . . . . . . . 7134 1 29 . 1 1 9 9 HIS H H 1 7.8287 0.005 . . . . . . . . . . 7134 1 30 . 1 1 9 9 HIS N N 15 113.4228 0.03 . . . . . . . . . . 7134 1 31 . 1 1 9 9 HIS C C 13 177.4536 0.03 . . . . . . . . . . 7134 1 32 . 1 1 9 9 HIS CA C 13 59.7208 0.03 . . . . . . . . . . 7134 1 33 . 1 1 9 9 HIS HA H 1 4.0361 0.005 . . . . . . . . . . 7134 1 34 . 1 1 10 10 PHE H H 1 7.9155 0.005 . . . . . . . . . . 7134 1 35 . 1 1 10 10 PHE N N 15 121.9121 0.03 . . . . . . . . . . 7134 1 36 . 1 1 10 10 PHE C C 13 176.3316 0.03 . . . . . . . . . . 7134 1 37 . 1 1 10 10 PHE CA C 13 60.9575 0.03 . . . . . . . . . . 7134 1 38 . 1 1 10 10 PHE HA H 1 4.1629 0.005 . . . . . . . . . . 7134 1 39 . 1 1 11 11 LYS H H 1 7.7003 0.005 . . . . . . . . . . 7134 1 40 . 1 1 11 11 LYS N N 15 116.8976 0.03 . . . . . . . . . . 7134 1 41 . 1 1 11 11 LYS C C 13 178.0491 0.03 . . . . . . . . . . 7134 1 42 . 1 1 11 11 LYS CA C 13 59.4336 0.03 . . . . . . . . . . 7134 1 43 . 1 1 11 11 LYS HA H 1 2.9041 0.005 . . . . . . . . . . 7134 1 44 . 1 1 12 12 LEU H H 1 7.6956 0.005 . . . . . . . . . . 7134 1 45 . 1 1 12 12 LEU N N 15 114.9107 0.03 . . . . . . . . . . 7134 1 46 . 1 1 12 12 LEU C C 13 178.9158 0.03 . . . . . . . . . . 7134 1 47 . 1 1 12 12 LEU CA C 13 57.3997 0.03 . . . . . . . . . . 7134 1 48 . 1 1 12 12 LEU HA H 1 3.7921 0.005 . . . . . . . . . . 7134 1 49 . 1 1 13 13 GLN H H 1 7.6772 0.005 . . . . . . . . . . 7134 1 50 . 1 1 13 13 GLN N N 15 121.0288 0.03 . . . . . . . . . . 7134 1 51 . 1 1 13 13 GLN C C 13 178.7014 0.03 . . . . . . . . . . 7134 1 52 . 1 1 13 13 GLN CA C 13 58.7711 0.03 . . . . . . . . . . 7134 1 53 . 1 1 13 13 GLN HA H 1 3.8175 0.005 . . . . . . . . . . 7134 1 54 . 1 1 14 14 VAL H H 1 7.5279 0.005 . . . . . . . . . . 7134 1 55 . 1 1 14 14 VAL N N 15 120.4506 0.03 . . . . . . . . . . 7134 1 56 . 1 1 14 14 VAL C C 13 177.9411 0.03 . . . . . . . . . . 7134 1 57 . 1 1 14 14 VAL CA C 13 66.0347 0.03 . . . . . . . . . . 7134 1 58 . 1 1 14 14 VAL HA H 1 2.7042 0.005 . . . . . . . . . . 7134 1 59 . 1 1 15 15 LEU H H 1 7.8750 0.005 . . . . . . . . . . 7134 1 60 . 1 1 15 15 LEU N N 15 117.7181 0.03 . . . . . . . . . . 7134 1 61 . 1 1 15 15 LEU C C 13 179.0591 0.03 . . . . . . . . . . 7134 1 62 . 1 1 15 15 LEU CA C 13 57.7476 0.03 . . . . . . . . . . 7134 1 63 . 1 1 15 15 LEU HA H 1 3.9174 0.005 . . . . . . . . . . 7134 1 64 . 1 1 16 16 GLU H H 1 8.4692 0.005 . . . . . . . . . . 7134 1 65 . 1 1 16 16 GLU N N 15 119.4061 0.03 . . . . . . . . . . 7134 1 66 . 1 1 16 16 GLU C C 13 179.7516 0.03 . . . . . . . . . . 7134 1 67 . 1 1 16 16 GLU CA C 13 59.1539 0.03 . . . . . . . . . . 7134 1 68 . 1 1 16 16 GLU HA H 1 4.0558 0.005 . . . . . . . . . . 7134 1 69 . 1 1 17 17 SER H H 1 8.1980 0.005 . . . . . . . . . . 7134 1 70 . 1 1 17 17 SER N N 15 118.2689 0.03 . . . . . . . . . . 7134 1 71 . 1 1 17 17 SER C C 13 175.2628 0.03 . . . . . . . . . . 7134 1 72 . 1 1 17 17 SER CA C 13 62.9220 0.03 . . . . . . . . . . 7134 1 73 . 1 1 17 17 SER HA H 1 4.1898 0.005 . . . . . . . . . . 7134 1 74 . 1 1 18 18 TYR H H 1 8.2726 0.005 . . . . . . . . . . 7134 1 75 . 1 1 18 18 TYR N N 15 119.8362 0.03 . . . . . . . . . . 7134 1 76 . 1 1 18 18 TYR C C 13 176.0724 0.03 . . . . . . . . . . 7134 1 77 . 1 1 18 18 TYR CA C 13 59.8493 0.03 . . . . . . . . . . 7134 1 78 . 1 1 18 18 TYR HA H 1 4.2310 0.005 . . . . . . . . . . 7134 1 79 . 1 1 19 19 ARG H H 1 7.6085 0.005 . . . . . . . . . . 7134 1 80 . 1 1 19 19 ARG N N 15 115.4448 0.03 . . . . . . . . . . 7134 1 81 . 1 1 19 19 ARG C C 13 177.6567 0.03 . . . . . . . . . . 7134 1 82 . 1 1 19 19 ARG CA C 13 58.0322 0.03 . . . . . . . . . . 7134 1 83 . 1 1 19 19 ARG HA H 1 4.0511 0.005 . . . . . . . . . . 7134 1 84 . 1 1 20 20 ASN H H 1 8.1647 0.005 . . . . . . . . . . 7134 1 85 . 1 1 20 20 ASN N N 15 113.0622 0.03 . . . . . . . . . . 7134 1 86 . 1 1 20 20 ASN C C 13 175.6503 0.03 . . . . . . . . . . 7134 1 87 . 1 1 20 20 ASN CA C 13 54.3213 0.03 . . . . . . . . . . 7134 1 88 . 1 1 20 20 ASN HA H 1 4.9287 0.005 . . . . . . . . . . 7134 1 89 . 1 1 21 21 ASP H H 1 8.8977 0.005 . . . . . . . . . . 7134 1 90 . 1 1 21 21 ASP N N 15 123.5042 0.03 . . . . . . . . . . 7134 1 91 . 1 1 21 21 ASP C C 13 177.2238 0.03 . . . . . . . . . . 7134 1 92 . 1 1 21 21 ASP CA C 13 55.1959 0.03 . . . . . . . . . . 7134 1 93 . 1 1 21 21 ASP HA H 1 4.6019 0.005 . . . . . . . . . . 7134 1 94 . 1 1 22 22 ASN H H 1 9.1731 0.005 . . . . . . . . . . 7134 1 95 . 1 1 22 22 ASN N N 15 122.2328 0.03 . . . . . . . . . . 7134 1 96 . 1 1 22 22 ASN C C 13 175.9548 0.03 . . . . . . . . . . 7134 1 97 . 1 1 22 22 ASN CA C 13 56.4425 0.03 . . . . . . . . . . 7134 1 98 . 1 1 22 22 ASN HA H 1 4.1985 0.005 . . . . . . . . . . 7134 1 99 . 1 1 23 23 ASP H H 1 8.7697 0.005 . . . . . . . . . . 7134 1 100 . 1 1 23 23 ASP N N 15 113.7013 0.03 . . . . . . . . . . 7134 1 101 . 1 1 23 23 ASP C C 13 176.8822 0.03 . . . . . . . . . . 7134 1 102 . 1 1 23 23 ASP CA C 13 54.6919 0.03 . . . . . . . . . . 7134 1 103 . 1 1 23 23 ASP HA H 1 4.4408 0.005 . . . . . . . . . . 7134 1 104 . 1 1 24 24 CYS H H 1 7.5052 0.005 . . . . . . . . . . 7134 1 105 . 1 1 24 24 CYS N N 15 113.2302 0.03 . . . . . . . . . . 7134 1 106 . 1 1 24 24 CYS C C 13 173.1255 0.03 . . . . . . . . . . 7134 1 107 . 1 1 24 24 CYS CA C 13 57.7347 0.03 . . . . . . . . . . 7134 1 108 . 1 1 24 24 CYS HA H 1 4.6798 0.005 . . . . . . . . . . 7134 1 109 . 1 1 25 25 LYS H H 1 8.0944 0.005 . . . . . . . . . . 7134 1 110 . 1 1 25 25 LYS N N 15 121.7105 0.03 . . . . . . . . . . 7134 1 111 . 1 1 25 25 LYS C C 13 178.2663 0.03 . . . . . . . . . . 7134 1 112 . 1 1 25 25 LYS CA C 13 56.8246 0.03 . . . . . . . . . . 7134 1 113 . 1 1 25 25 LYS HA H 1 4.0709 0.005 . . . . . . . . . . 7134 1 114 . 1 1 26 26 GLY H H 1 8.4953 0.005 . . . . . . . . . . 7134 1 115 . 1 1 26 26 GLY N N 15 109.7018 0.03 . . . . . . . . . . 7134 1 116 . 1 1 26 26 GLY C C 13 172.6394 0.03 . . . . . . . . . . 7134 1 117 . 1 1 26 26 GLY CA C 13 45.5718 0.03 . . . . . . . . . . 7134 1 118 . 1 1 26 26 GLY HA2 H 1 3.0435 0.005 . . . . . . . . . . 7134 1 119 . 1 1 26 26 GLY HA3 H 1 3.8089 0.005 . . . . . . . . . . 7134 1 120 . 1 1 27 27 ASN H H 1 8.2014 0.005 . . . . . . . . . . 7134 1 121 . 1 1 27 27 ASN N N 15 118.4706 0.03 . . . . . . . . . . 7134 1 122 . 1 1 27 27 ASN CA C 13 51.3053 0.03 . . . . . . . . . . 7134 1 123 . 1 1 28 28 GLN C C 13 177.3922 0.03 . . . . . . . . . . 7134 1 124 . 1 1 28 28 GLN CA C 13 60.7434 0.03 . . . . . . . . . . 7134 1 125 . 1 1 28 28 GLN HA H 1 3.7619 0.005 . . . . . . . . . . 7134 1 126 . 1 1 29 29 ARG H H 1 8.6356 0.005 . . . . . . . . . . 7134 1 127 . 1 1 29 29 ARG N N 15 118.9818 0.03 . . . . . . . . . . 7134 1 128 . 1 1 29 29 ARG C C 13 178.6587 0.03 . . . . . . . . . . 7134 1 129 . 1 1 29 29 ARG CA C 13 59.7300 0.03 . . . . . . . . . . 7134 1 130 . 1 1 29 29 ARG HA H 1 3.8306 0.005 . . . . . . . . . . 7134 1 131 . 1 1 30 30 ALA H H 1 8.3130 0.005 . . . . . . . . . . 7134 1 132 . 1 1 30 30 ALA N N 15 121.4447 0.03 . . . . . . . . . . 7134 1 133 . 1 1 30 30 ALA C C 13 180.9465 0.03 . . . . . . . . . . 7134 1 134 . 1 1 30 30 ALA CA C 13 54.4041 0.03 . . . . . . . . . . 7134 1 135 . 1 1 30 30 ALA HA H 1 4.0577 0.005 . . . . . . . . . . 7134 1 136 . 1 1 31 31 THR H H 1 8.4043 0.005 . . . . . . . . . . 7134 1 137 . 1 1 31 31 THR N N 15 116.9972 0.03 . . . . . . . . . . 7134 1 138 . 1 1 31 31 THR C C 13 175.1942 0.03 . . . . . . . . . . 7134 1 139 . 1 1 31 31 THR CA C 13 67.4473 0.03 . . . . . . . . . . 7134 1 140 . 1 1 31 31 THR HA H 1 4.0362 0.005 . . . . . . . . . . 7134 1 141 . 1 1 32 32 ALA H H 1 8.2660 0.005 . . . . . . . . . . 7134 1 142 . 1 1 32 32 ALA N N 15 122.8861 0.03 . . . . . . . . . . 7134 1 143 . 1 1 32 32 ALA C C 13 179.5136 0.03 . . . . . . . . . . 7134 1 144 . 1 1 32 32 ALA CA C 13 54.9912 0.03 . . . . . . . . . . 7134 1 145 . 1 1 32 32 ALA HA H 1 3.7745 0.005 . . . . . . . . . . 7134 1 146 . 1 1 33 33 ARG H H 1 8.0035 0.005 . . . . . . . . . . 7134 1 147 . 1 1 33 33 ARG N N 15 116.4582 0.03 . . . . . . . . . . 7134 1 148 . 1 1 33 33 ARG C C 13 179.3355 0.03 . . . . . . . . . . 7134 1 149 . 1 1 33 33 ARG CA C 13 58.6043 0.03 . . . . . . . . . . 7134 1 150 . 1 1 33 33 ARG HA H 1 4.1642 0.005 . . . . . . . . . . 7134 1 151 . 1 1 34 34 LYS H H 1 7.6669 0.005 . . . . . . . . . . 7134 1 152 . 1 1 34 34 LYS N N 15 119.8449 0.03 . . . . . . . . . . 7134 1 153 . 1 1 34 34 LYS C C 13 177.1502 0.03 . . . . . . . . . . 7134 1 154 . 1 1 34 34 LYS CA C 13 59.2423 0.03 . . . . . . . . . . 7134 1 155 . 1 1 34 34 LYS HA H 1 3.8649 0.005 . . . . . . . . . . 7134 1 156 . 1 1 35 35 TYR H H 1 7.1828 0.005 . . . . . . . . . . 7134 1 157 . 1 1 35 35 TYR N N 15 112.9382 0.03 . . . . . . . . . . 7134 1 158 . 1 1 35 35 TYR C C 13 173.7626 0.03 . . . . . . . . . . 7134 1 159 . 1 1 35 35 TYR CA C 13 58.9893 0.03 . . . . . . . . . . 7134 1 160 . 1 1 35 35 TYR HA H 1 4.5038 0.005 . . . . . . . . . . 7134 1 161 . 1 1 36 36 ASN H H 1 8.0378 0.005 . . . . . . . . . . 7134 1 162 . 1 1 36 36 ASN N N 15 118.6425 0.03 . . . . . . . . . . 7134 1 163 . 1 1 36 36 ASN C C 13 174.2581 0.03 . . . . . . . . . . 7134 1 164 . 1 1 36 36 ASN CA C 13 54.2988 0.03 . . . . . . . . . . 7134 1 165 . 1 1 36 36 ASN HA H 1 4.4541 0.005 . . . . . . . . . . 7134 1 166 . 1 1 37 37 ILE H H 1 8.1148 0.005 . . . . . . . . . . 7134 1 167 . 1 1 37 37 ILE N N 15 110.9889 0.03 . . . . . . . . . . 7134 1 168 . 1 1 37 37 ILE C C 13 173.7428 0.03 . . . . . . . . . . 7134 1 169 . 1 1 37 37 ILE CA C 13 59.3583 0.03 . . . . . . . . . . 7134 1 170 . 1 1 37 37 ILE HA H 1 4.8083 0.005 . . . . . . . . . . 7134 1 171 . 1 1 38 38 HIS H H 1 8.5530 0.005 . . . . . . . . . . 7134 1 172 . 1 1 38 38 HIS N N 15 118.3754 0.03 . . . . . . . . . . 7134 1 173 . 1 1 38 38 HIS C C 13 177.4132 0.03 . . . . . . . . . . 7134 1 174 . 1 1 38 38 HIS CA C 13 55.9969 0.03 . . . . . . . . . . 7134 1 175 . 1 1 38 38 HIS HA H 1 4.6811 0.005 . . . . . . . . . . 7134 1 176 . 1 1 39 39 ARG H H 1 9.4500 0.005 . . . . . . . . . . 7134 1 177 . 1 1 39 39 ARG N N 15 126.9386 0.03 . . . . . . . . . . 7134 1 178 . 1 1 39 39 ARG C C 13 177.7847 0.03 . . . . . . . . . . 7134 1 179 . 1 1 39 39 ARG CA C 13 59.7936 0.03 . . . . . . . . . . 7134 1 180 . 1 1 39 39 ARG HA H 1 3.5874 0.005 . . . . . . . . . . 7134 1 181 . 1 1 40 40 ARG H H 1 10.4294 0.005 . . . . . . . . . . 7134 1 182 . 1 1 40 40 ARG N N 15 119.9954 0.03 . . . . . . . . . . 7134 1 183 . 1 1 40 40 ARG C C 13 178.7014 0.03 . . . . . . . . . . 7134 1 184 . 1 1 40 40 ARG CA C 13 58.4347 0.03 . . . . . . . . . . 7134 1 185 . 1 1 40 40 ARG HA H 1 3.9824 0.005 . . . . . . . . . . 7134 1 186 . 1 1 41 41 GLN H H 1 7.3859 0.005 . . . . . . . . . . 7134 1 187 . 1 1 41 41 GLN N N 15 117.7499 0.03 . . . . . . . . . . 7134 1 188 . 1 1 41 41 GLN C C 13 175.8012 0.03 . . . . . . . . . . 7134 1 189 . 1 1 41 41 GLN CA C 13 58.1334 0.03 . . . . . . . . . . 7134 1 190 . 1 1 41 41 GLN HA H 1 3.3727 0.005 . . . . . . . . . . 7134 1 191 . 1 1 42 42 ILE H H 1 6.3844 0.005 . . . . . . . . . . 7134 1 192 . 1 1 42 42 ILE N N 15 115.2323 0.03 . . . . . . . . . . 7134 1 193 . 1 1 42 42 ILE C C 13 176.4184 0.03 . . . . . . . . . . 7134 1 194 . 1 1 42 42 ILE CA C 13 64.9656 0.03 . . . . . . . . . . 7134 1 195 . 1 1 42 42 ILE HA H 1 3.0047 0.005 . . . . . . . . . . 7134 1 196 . 1 1 43 43 GLN H H 1 7.4446 0.005 . . . . . . . . . . 7134 1 197 . 1 1 43 43 GLN N N 15 116.1535 0.03 . . . . . . . . . . 7134 1 198 . 1 1 43 43 GLN C C 13 178.2739 0.03 . . . . . . . . . . 7134 1 199 . 1 1 43 43 GLN CA C 13 58.8952 0.03 . . . . . . . . . . 7134 1 200 . 1 1 43 43 GLN HA H 1 3.6798 0.005 . . . . . . . . . . 7134 1 201 . 1 1 44 44 LYS H H 1 7.2751 0.005 . . . . . . . . . . 7134 1 202 . 1 1 44 44 LYS N N 15 118.4140 0.03 . . . . . . . . . . 7134 1 203 . 1 1 44 44 LYS C C 13 179.1378 0.03 . . . . . . . . . . 7134 1 204 . 1 1 44 44 LYS CA C 13 58.7812 0.03 . . . . . . . . . . 7134 1 205 . 1 1 44 44 LYS HA H 1 4.0003 0.005 . . . . . . . . . . 7134 1 206 . 1 1 45 45 TRP H H 1 8.2222 0.005 . . . . . . . . . . 7134 1 207 . 1 1 45 45 TRP N N 15 121.4103 0.03 . . . . . . . . . . 7134 1 208 . 1 1 45 45 TRP C C 13 178.5982 0.03 . . . . . . . . . . 7134 1 209 . 1 1 45 45 TRP CA C 13 57.4753 0.03 . . . . . . . . . . 7134 1 210 . 1 1 45 45 TRP HA H 1 4.6901 0.005 . . . . . . . . . . 7134 1 211 . 1 1 46 46 LEU H H 1 8.4784 0.005 . . . . . . . . . . 7134 1 212 . 1 1 46 46 LEU N N 15 119.0292 0.03 . . . . . . . . . . 7134 1 213 . 1 1 46 46 LEU C C 13 180.0937 0.03 . . . . . . . . . . 7134 1 214 . 1 1 46 46 LEU CA C 13 57.5358 0.03 . . . . . . . . . . 7134 1 215 . 1 1 46 46 LEU HA H 1 4.0229 0.005 . . . . . . . . . . 7134 1 216 . 1 1 47 47 GLN H H 1 7.6228 0.005 . . . . . . . . . . 7134 1 217 . 1 1 47 47 GLN N N 15 117.4578 0.03 . . . . . . . . . . 7134 1 218 . 1 1 47 47 GLN C C 13 177.3787 0.03 . . . . . . . . . . 7134 1 219 . 1 1 47 47 GLN CA C 13 57.8300 0.03 . . . . . . . . . . 7134 1 220 . 1 1 47 47 GLN HA H 1 4.1612 0.005 . . . . . . . . . . 7134 1 221 . 1 1 48 48 CYS H H 1 7.8451 0.005 . . . . . . . . . . 7134 1 222 . 1 1 48 48 CYS N N 15 115.1909 0.03 . . . . . . . . . . 7134 1 223 . 1 1 48 48 CYS C C 13 175.1034 0.03 . . . . . . . . . . 7134 1 224 . 1 1 48 48 CYS CA C 13 58.4530 0.03 . . . . . . . . . . 7134 1 225 . 1 1 48 48 CYS HA H 1 4.7799 0.005 . . . . . . . . . . 7134 1 226 . 1 1 49 49 GLU H H 1 7.5392 0.005 . . . . . . . . . . 7134 1 227 . 1 1 49 49 GLU N N 15 122.7978 0.03 . . . . . . . . . . 7134 1 228 . 1 1 49 49 GLU C C 13 177.2296 0.03 . . . . . . . . . . 7134 1 229 . 1 1 49 49 GLU CA C 13 59.8619 0.03 . . . . . . . . . . 7134 1 230 . 1 1 49 49 GLU HA H 1 3.8507 0.005 . . . . . . . . . . 7134 1 231 . 1 1 50 50 SER H H 1 8.6226 0.005 . . . . . . . . . . 7134 1 232 . 1 1 50 50 SER N N 15 113.6210 0.03 . . . . . . . . . . 7134 1 233 . 1 1 50 50 SER C C 13 176.2285 0.03 . . . . . . . . . . 7134 1 234 . 1 1 50 50 SER CA C 13 60.9799 0.03 . . . . . . . . . . 7134 1 235 . 1 1 50 50 SER HA H 1 4.1569 0.005 . . . . . . . . . . 7134 1 236 . 1 1 51 51 ASN H H 1 8.0049 0.005 . . . . . . . . . . 7134 1 237 . 1 1 51 51 ASN N N 15 120.2745 0.03 . . . . . . . . . . 7134 1 238 . 1 1 51 51 ASN C C 13 177.0079 0.03 . . . . . . . . . . 7134 1 239 . 1 1 51 51 ASN CA C 13 54.9655 0.03 . . . . . . . . . . 7134 1 240 . 1 1 51 51 ASN HA H 1 4.5351 0.005 . . . . . . . . . . 7134 1 241 . 1 1 52 52 LEU H H 1 8.1260 0.005 . . . . . . . . . . 7134 1 242 . 1 1 52 52 LEU N N 15 120.9596 0.03 . . . . . . . . . . 7134 1 243 . 1 1 52 52 LEU C C 13 178.5350 0.03 . . . . . . . . . . 7134 1 244 . 1 1 52 52 LEU CA C 13 56.8356 0.03 . . . . . . . . . . 7134 1 245 . 1 1 52 52 LEU HA H 1 4.0589 0.005 . . . . . . . . . . 7134 1 246 . 1 1 53 53 ARG H H 1 8.3368 0.005 . . . . . . . . . . 7134 1 247 . 1 1 53 53 ARG N N 15 118.2686 0.03 . . . . . . . . . . 7134 1 248 . 1 1 53 53 ARG C C 13 177.7586 0.03 . . . . . . . . . . 7134 1 249 . 1 1 53 53 ARG CA C 13 57.9668 0.03 . . . . . . . . . . 7134 1 250 . 1 1 53 53 ARG HA H 1 4.0500 0.005 . . . . . . . . . . 7134 1 251 . 1 1 54 54 SER H H 1 8.0432 0.005 . . . . . . . . . . 7134 1 252 . 1 1 54 54 SER N N 15 114.7113 0.03 . . . . . . . . . . 7134 1 253 . 1 1 54 54 SER C C 13 175.2533 0.03 . . . . . . . . . . 7134 1 254 . 1 1 54 54 SER CA C 13 59.6242 0.03 . . . . . . . . . . 7134 1 255 . 1 1 54 54 SER HA H 1 4.3424 0.005 . . . . . . . . . . 7134 1 256 . 1 1 55 55 SER H H 1 8.0748 0.005 . . . . . . . . . . 7134 1 257 . 1 1 55 55 SER N N 15 116.7774 0.03 . . . . . . . . . . 7134 1 258 . 1 1 55 55 SER C C 13 174.8146 0.03 . . . . . . . . . . 7134 1 259 . 1 1 55 55 SER CA C 13 59.4912 0.03 . . . . . . . . . . 7134 1 260 . 1 1 55 55 SER HA H 1 4.3889 0.005 . . . . . . . . . . 7134 1 261 . 1 1 56 56 VAL H H 1 7.6932 0.005 . . . . . . . . . . 7134 1 262 . 1 1 56 56 VAL N N 15 118.3996 0.03 . . . . . . . . . . 7134 1 263 . 1 1 56 56 VAL C C 13 175.7895 0.03 . . . . . . . . . . 7134 1 264 . 1 1 56 56 VAL CA C 13 62.1475 0.03 . . . . . . . . . . 7134 1 265 . 1 1 56 56 VAL HA H 1 4.1098 0.005 . . . . . . . . . . 7134 1 266 . 1 1 57 57 ALA H H 1 7.9829 0.005 . . . . . . . . . . 7134 1 267 . 1 1 57 57 ALA N N 15 125.4175 0.03 . . . . . . . . . . 7134 1 268 . 1 1 57 57 ALA C C 13 177.1771 0.03 . . . . . . . . . . 7134 1 269 . 1 1 57 57 ALA CA C 13 52.5298 0.03 . . . . . . . . . . 7134 1 270 . 1 1 57 57 ALA HA H 1 4.2518 0.005 . . . . . . . . . . 7134 1 271 . 1 1 58 58 ASN H H 1 8.3053 0.005 . . . . . . . . . . 7134 1 272 . 1 1 58 58 ASN N N 15 117.3418 0.03 . . . . . . . . . . 7134 1 273 . 1 1 58 58 ASN C C 13 173.8802 0.03 . . . . . . . . . . 7134 1 274 . 1 1 58 58 ASN CA C 13 53.0257 0.03 . . . . . . . . . . 7134 1 275 . 1 1 58 58 ASN HA H 1 4.6816 0.005 . . . . . . . . . . 7134 1 276 . 1 1 59 59 ASN H H 1 7.9526 0.005 . . . . . . . . . . 7134 1 277 . 1 1 59 59 ASN N N 15 123.6636 0.03 . . . . . . . . . . 7134 1 278 . 1 1 59 59 ASN CA C 13 54.6246 0.03 . . . . . . . . . . 7134 1 279 . 1 1 59 59 ASN HA H 1 4.4135 0.005 . . . . . . . . . . 7134 1 stop_ save_