################################### # 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 25184 _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 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.16 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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' . . . 25184 1 2 '3D HNCO' . . . 25184 1 3 '3D CBCA(CO)NH' . . . 25184 1 4 '3D HNCA' . . . 25184 1 5 '3D HNCACB' . . . 25184 1 7 '3D HN(CA)CO' . . . 25184 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 1 $NMRView . . 25184 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 MET C C 13 174.3820 0.16 . 1 . . . . 1 MET C . 25184 1 2 . 1 1 1 1 MET CA C 13 58.3468 0.16 . 1 . . . . 1 MET CA . 25184 1 3 . 1 1 1 1 MET CB C 13 28.2820 0.16 . 1 . . . . 1 MET CB . 25184 1 4 . 1 1 2 2 GLY H H 1 8.2017 0.001 . 1 . . . . 2 GLY H . 25184 1 5 . 1 1 2 2 GLY C C 13 178.9584 0.16 . 1 . . . . 2 GLY C . 25184 1 6 . 1 1 2 2 GLY CA C 13 46.2261 0.16 . 1 . . . . 2 GLY CA . 25184 1 7 . 1 1 2 2 GLY N N 15 117.5476 0.03 . 1 . . . . 2 GLY N . 25184 1 8 . 1 1 3 3 THR C C 13 174.3422 0.16 . 1 . 11121 . . 3 THR C . 25184 1 9 . 1 1 3 3 THR CA C 13 61.8861 0.16 . 1 . 10671 . . 3 THR CA . 25184 1 10 . 1 1 3 3 THR CB C 13 69.6990 0.16 . 1 . 10635 . . 3 THR CB . 25184 1 11 . 1 1 4 4 SER H H 1 8.2636 0.001 . 1 . 9050 . . 4 SER H . 25184 1 12 . 1 1 4 4 SER C C 13 173.5238 0.16 . 1 . 11136 . . 4 SER C . 25184 1 13 . 1 1 4 4 SER CA C 13 58.0407 0.16 . 1 . 9147 . . 4 SER CA . 25184 1 14 . 1 1 4 4 SER CB C 13 63.8938 0.16 . 1 . 9048 . . 4 SER CB . 25184 1 15 . 1 1 4 4 SER N N 15 118.4418 0.03 . 1 . 9052 . . 4 SER N . 25184 1 16 . 1 1 5 5 ALA H H 1 8.2750 0.001 . 1 . 9239 . . 5 ALA H . 25184 1 17 . 1 1 5 5 ALA C C 13 175.5001 0.16 . 1 . 9651 . . 5 ALA C . 25184 1 18 . 1 1 5 5 ALA CA C 13 50.7287 0.16 . 1 . 8850 . . 5 ALA CA . 25184 1 19 . 1 1 5 5 ALA CB C 13 18.2271 0.16 . 1 . 9018 . . 5 ALA CB . 25184 1 20 . 1 1 5 5 ALA N N 15 127.1624 0.03 . 1 . 9241 . . 5 ALA N . 25184 1 21 . 1 1 6 6 PRO C C 13 176.6466 0.16 . 1 . 10980 . . 6 PRO C . 25184 1 22 . 1 1 6 6 PRO CA C 13 63.2124 0.16 . 1 . 10392 . . 6 PRO CA . 25184 1 23 . 1 1 6 6 PRO CB C 13 31.9275 0.16 . 1 . 10404 . . 6 PRO CB . 25184 1 24 . 1 1 7 7 ASN H H 1 8.4586 0.001 . 1 . 9563 . . 7 ASN H . 25184 1 25 . 1 1 7 7 ASN C C 13 174.9394 0.16 . 1 . 9579 . . 7 ASN C . 25184 1 26 . 1 1 7 7 ASN CA C 13 53.2407 0.16 . 1 . 8799 . . 7 ASN CA . 25184 1 27 . 1 1 7 7 ASN CB C 13 38.6430 0.16 . 1 . 8640 . . 7 ASN CB . 25184 1 28 . 1 1 7 7 ASN N N 15 118.4809 0.03 . 1 . 9565 . . 7 ASN N . 25184 1 29 . 1 1 8 8 ASN H H 1 8.3262 0.001 . 1 . 11572 . . 8 ASN H . 25184 1 30 . 1 1 8 8 ASN C C 13 175.4775 0.16 . 1 . 11594 . . 8 ASN C . 25184 1 31 . 1 1 8 8 ASN CA C 13 53.3677 0.16 . 1 . 12895 . . 8 ASN CA . 25184 1 32 . 1 1 8 8 ASN CB C 13 38.7700 0.16 . 1 . 12898 . . 8 ASN CB . 25184 1 33 . 1 1 8 8 ASN N N 15 119.3294 0.03 . 1 . 11574 . . 8 ASN N . 25184 1 34 . 1 1 9 9 THR H H 1 8.1208 0.001 . 1 . 12882 . . 9 THR H . 25184 1 35 . 1 1 9 9 THR C C 13 174.4217 0.16 . 1 . 9747 . . 9 THR C . 25184 1 36 . 1 1 9 9 THR CA C 13 62.0782 0.16 . 1 . 10473 . . 9 THR CA . 25184 1 37 . 1 1 9 9 THR CB C 13 69.5882 0.16 . 1 . 8667 . . 9 THR CB . 25184 1 38 . 1 1 9 9 THR N N 15 113.8829 0.03 . 1 . 12884 . . 9 THR N . 25184 1 39 . 1 1 10 10 ASN H H 1 8.4162 0.001 . 1 . 8696 . . 10 ASN H . 25184 1 40 . 1 1 10 10 ASN C C 13 174.9542 0.16 . 1 . 13492 . . 10 ASN C . 25184 1 41 . 1 1 10 10 ASN CA C 13 53.4593 0.16 . 1 . 13490 . . 10 ASN CA . 25184 1 42 . 1 1 10 10 ASN CB C 13 38.6468 0.16 . 1 . 13491 . . 10 ASN CB . 25184 1 43 . 1 1 10 10 ASN N N 15 120.7373 0.03 . 1 . 8698 . . 10 ASN N . 25184 1 44 . 1 1 11 11 ASN C C 13 175.0904 0.16 . 1 . 11166 . . 11 ASN C . 25184 1 45 . 1 1 11 11 ASN CA C 13 53.1944 0.16 . 1 . 10701 . . 11 ASN CA . 25184 1 46 . 1 1 11 11 ASN CB C 13 38.7205 0.16 . 1 . 10758 . . 11 ASN CB . 25184 1 47 . 1 1 12 12 ALA H H 1 8.2371 0.001 . 1 . 10649 . . 12 ALA H . 25184 1 48 . 1 1 12 12 ALA C C 13 177.5997 0.16 . 1 . 11061 . . 12 ALA C . 25184 1 49 . 1 1 12 12 ALA CA C 13 52.9023 0.16 . 1 . 9204 . . 12 ALA CA . 25184 1 50 . 1 1 12 12 ALA CB C 13 18.9901 0.16 . 1 . 9012 . . 12 ALA CB . 25184 1 51 . 1 1 12 12 ALA N N 15 124.1272 0.03 . 1 . 10651 . . 12 ALA N . 25184 1 52 . 1 1 13 13 ASN H H 1 8.3248 0.001 . 1 . 9608 . . 13 ASN H . 25184 1 53 . 1 1 13 13 ASN C C 13 175.3478 0.16 . 1 . 13372 . . 13 ASN C . 25184 1 54 . 1 1 13 13 ASN CA C 13 53.2254 0.16 . 1 . 13370 . . 13 ASN CA . 25184 1 55 . 1 1 13 13 ASN CB C 13 38.7350 0.16 . 1 . 13371 . . 13 ASN CB . 25184 1 56 . 1 1 13 13 ASN N N 15 117.3262 0.03 . 1 . 9610 . . 13 ASN N . 25184 1 57 . 1 1 14 14 SER H H 1 8.1492 0.001 . 1 . 9881 . . 14 SER H . 25184 1 58 . 1 1 14 14 SER C C 13 174.4999 0.16 . 1 . 11118 . . 14 SER C . 25184 1 59 . 1 1 14 14 SER CA C 13 58.5721 0.16 . 1 . 9180 . . 14 SER CA . 25184 1 60 . 1 1 14 14 SER CB C 13 63.6495 0.16 . 1 . 12862 . . 14 SER CB . 25184 1 61 . 1 1 14 14 SER N N 15 115.9954 0.03 . 1 . 9883 . . 14 SER N . 25184 1 62 . 1 1 15 15 SER H H 1 8.2841 0.001 . 1 . 9149 . . 15 SER H . 25184 1 63 . 1 1 15 15 SER C C 13 174.2109 0.16 . 1 . 9756 . . 15 SER C . 25184 1 64 . 1 1 15 15 SER CA C 13 58.4727 0.16 . 1 . 13537 . . 15 SER CA . 25184 1 65 . 1 1 15 15 SER CB C 13 63.7793 0.16 . 1 . 13545 . . 15 SER CB . 25184 1 66 . 1 1 15 15 SER N N 15 117.6942 0.03 . 1 . 9151 . . 15 SER N . 25184 1 67 . 1 1 16 16 ILE H H 1 8.0100 0.001 . 1 . 9407 . . 16 ILE H . 25184 1 68 . 1 1 16 16 ILE C C 13 176.0721 0.16 . 1 . 9861 . . 16 ILE C . 25184 1 69 . 1 1 16 16 ILE CA C 13 60.9608 0.16 . 1 . 9405 . . 16 ILE CA . 25184 1 70 . 1 1 16 16 ILE CB C 13 38.6430 0.16 . 1 . 9465 . . 16 ILE CB . 25184 1 71 . 1 1 16 16 ILE N N 15 121.8506 0.03 . 1 . 9409 . . 16 ILE N . 25184 1 72 . 1 1 17 17 THR H H 1 8.1900 0.001 . 1 . 9944 . . 17 THR H . 25184 1 73 . 1 1 17 17 THR C C 13 172.6310 0.16 . 1 . 9945 . . 17 THR C . 25184 1 74 . 1 1 17 17 THR CA C 13 60.0953 0.16 . 1 . 12489 . . 17 THR CA . 25184 1 75 . 1 1 17 17 THR CB C 13 69.8694 0.16 . 1 . 12486 . . 17 THR CB . 25184 1 76 . 1 1 17 17 THR N N 15 121.1774 0.03 . 1 . 9946 . . 17 THR N . 25184 1 77 . 1 1 18 18 PRO C C 13 176.3560 0.16 . 1 . 11067 . . 18 PRO C . 25184 1 78 . 1 1 18 18 PRO CA C 13 63.1673 0.16 . 1 . 10647 . . 18 PRO CA . 25184 1 79 . 1 1 18 18 PRO CB C 13 32.0423 0.16 . 1 . 11773 . . 18 PRO CB . 25184 1 80 . 1 1 19 19 ALA H H 1 8.2593 0.001 . 1 . 9611 . . 19 ALA H . 25184 1 81 . 1 1 19 19 ALA C C 13 177.4065 0.16 . 1 . 13380 . . 19 ALA C . 25184 1 82 . 1 1 19 19 ALA CA C 13 52.2887 0.16 . 1 . . . . 19 ALA CA . 25184 1 83 . 1 1 19 19 ALA CB C 13 19.0628 0.16 . 1 . 13382 . . 19 ALA CB . 25184 1 84 . 1 1 19 19 ALA N N 15 124.1896 0.03 . 1 . 9613 . . 19 ALA N . 25184 1 85 . 1 1 20 20 PHE H H 1 8.1216 0.001 . 1 . 9851 . . 20 PHE H . 25184 1 86 . 1 1 20 20 PHE C C 13 176.2519 0.16 . 1 . 13442 . . 20 PHE C . 25184 1 87 . 1 1 20 20 PHE CA C 13 57.9036 0.16 . 1 . 13444 . . 20 PHE CA . 25184 1 88 . 1 1 20 20 PHE CB C 13 39.4047 0.16 . 1 . 13443 . . 20 PHE CB . 25184 1 89 . 1 1 20 20 PHE N N 15 119.3313 0.03 . 1 . 9853 . . 20 PHE N . 25184 1 90 . 1 1 21 21 GLY H H 1 8.1841 0.001 . 1 . 11345 . . 21 GLY H . 25184 1 91 . 1 1 21 21 GLY C C 13 174.0632 0.16 . 1 . 13291 . . 21 GLY C . 25184 1 92 . 1 1 21 21 GLY CA C 13 45.2437 0.16 . 1 . 13411 . . 21 GLY CA . 25184 1 93 . 1 1 21 21 GLY N N 15 110.5926 0.03 . 1 . 11347 . . 21 GLY N . 25184 1 94 . 1 1 22 22 SER H H 1 8.1394 0.001 . 1 . 13254 . . 22 SER H . 25184 1 95 . 1 1 22 22 SER C C 13 174.3321 0.16 . 1 . 13460 . . 22 SER C . 25184 1 96 . 1 1 22 22 SER CA C 13 58.3810 0.16 . 1 . 10398 . . 22 SER CA . 25184 1 97 . 1 1 22 22 SER CB C 13 63.9034 0.16 . 1 . 11376 . . 22 SER CB . 25184 1 98 . 1 1 22 22 SER N N 15 115.3927 0.03 . 1 . 13256 . . 22 SER N . 25184 1 99 . 1 1 23 23 ASN H H 1 8.4972 0.001 . 1 . 9584 . . 23 ASN H . 25184 1 100 . 1 1 23 23 ASN C C 13 174.9221 0.16 . 1 . 13480 . . 23 ASN C . 25184 1 101 . 1 1 23 23 ASN CA C 13 53.2207 0.16 . 1 . 13481 . . 23 ASN CA . 25184 1 102 . 1 1 23 23 ASN CB C 13 38.6823 0.16 . 1 . 13482 . . 23 ASN CB . 25184 1 103 . 1 1 23 23 ASN N N 15 120.3421 0.03 . 1 . 9586 . . 23 ASN N . 25184 1 104 . 1 1 24 24 ASN H H 1 8.3553 0.001 . 1 . 8843 . . 24 ASN H . 25184 1 105 . 1 1 24 24 ASN C C 13 175.4552 0.16 . 1 . 13456 . . 24 ASN C . 25184 1 106 . 1 1 24 24 ASN CA C 13 53.3677 0.16 . 1 . 13454 . . 24 ASN CA . 25184 1 107 . 1 1 24 24 ASN CB C 13 38.7700 0.16 . 1 . 13455 . . 24 ASN CB . 25184 1 108 . 1 1 24 24 ASN N N 15 119.3253 0.03 . 1 . 8845 . . 24 ASN N . 25184 1 109 . 1 1 25 25 THR H H 1 8.1023 0.001 . 1 . 9884 . . 25 THR H . 25184 1 110 . 1 1 25 25 THR C C 13 175.1822 0.16 . 1 . 9696 . . 25 THR C . 25184 1 111 . 1 1 25 25 THR CA C 13 62.0751 0.16 . 1 . 10476 . . 25 THR CA . 25184 1 112 . 1 1 25 25 THR CB C 13 69.6657 0.16 . 1 . 13458 . . 25 THR CB . 25184 1 113 . 1 1 25 25 THR N N 15 113.5029 0.03 . 1 . 9886 . . 25 THR N . 25184 1 114 . 1 1 26 26 GLY H H 1 8.3802 0.001 . 1 . 9695 . . 26 GLY H . 25184 1 115 . 1 1 26 26 GLY C C 13 173.8817 0.16 . 1 . 9780 . . 26 GLY C . 25184 1 116 . 1 1 26 26 GLY CA C 13 45.3640 0.16 . 1 . 12254 . . 26 GLY CA . 25184 1 117 . 1 1 26 26 GLY N N 15 110.7644 0.03 . 1 . 9697 . . 26 GLY N . 25184 1 118 . 1 1 27 27 ASN H H 1 8.2589 0.001 . 1 . 12253 . . 27 ASN H . 25184 1 119 . 1 1 27 27 ASN C C 13 175.6008 0.16 . 1 . 12266 . . 27 ASN C . 25184 1 120 . 1 1 27 27 ASN CA C 13 53.2070 0.16 . 1 . 12257 . . 27 ASN CA . 25184 1 121 . 1 1 27 27 ASN CB C 13 38.8434 0.16 . 1 . 12263 . . 27 ASN CB . 25184 1 122 . 1 1 27 27 ASN N N 15 118.8745 0.03 . 1 . 12255 . . 27 ASN N . 25184 1 123 . 1 1 28 28 THR H H 1 8.1086 0.001 . 1 . 9920 . . 28 THR H . 25184 1 124 . 1 1 28 28 THR C C 13 174.3024 0.16 . 1 . 11172 . . 28 THR C . 25184 1 125 . 1 1 28 28 THR CA C 13 61.9656 0.16 . 1 . 12874 . . 28 THR CA . 25184 1 126 . 1 1 28 28 THR CB C 13 69.7747 0.16 . 1 . 12871 . . 28 THR CB . 25184 1 127 . 1 1 28 28 THR N N 15 114.3145 0.03 . 1 . 9922 . . 28 THR N . 25184 1 128 . 1 1 29 29 ALA H H 1 8.1918 0.001 . 1 . 10661 . . 29 ALA H . 25184 1 129 . 1 1 29 29 ALA C C 13 177.3382 0.16 . 1 . 9951 . . 29 ALA C . 25184 1 130 . 1 1 29 29 ALA CA C 13 52.5321 0.16 . 1 . 12504 . . 29 ALA CA . 25184 1 131 . 1 1 29 29 ALA CB C 13 19.0380 0.16 . 1 . 12507 . . 29 ALA CB . 25184 1 132 . 1 1 29 29 ALA N N 15 125.8185 0.03 . 1 . 10663 . . 29 ALA N . 25184 1 133 . 1 1 30 30 PHE H H 1 8.0527 0.001 . 1 . 10847 . . 30 PHE H . 25184 1 134 . 1 1 30 30 PHE C C 13 176.3101 0.16 . 1 . 12480 . . 30 PHE C . 25184 1 135 . 1 1 30 30 PHE CA C 13 57.6209 0.16 . 1 . 13332 . . 30 PHE CA . 25184 1 136 . 1 1 30 30 PHE CB C 13 39.3841 0.16 . 1 . 13333 . . 30 PHE CB . 25184 1 137 . 1 1 30 30 PHE N N 15 118.8937 0.03 . 1 . 10849 . . 30 PHE N . 25184 1 138 . 1 1 31 31 GLY H H 1 8.1908 0.001 . 1 . 9932 . . 31 GLY H . 25184 1 139 . 1 1 31 31 GLY C C 13 173.8354 0.16 . 1 . 12284 . . 31 GLY C . 25184 1 140 . 1 1 31 31 GLY CA C 13 45.5552 0.16 . 1 . 9303 . . 31 GLY CA . 25184 1 141 . 1 1 31 31 GLY N N 15 110.1378 0.03 . 1 . 9934 . . 31 GLY N . 25184 1 142 . 1 1 32 32 ASN H H 1 8.2357 0.001 . 1 . 12277 . . 32 ASN H . 25184 1 143 . 1 1 32 32 ASN C C 13 175.2018 0.16 . 1 . 12281 . . 32 ASN C . 25184 1 144 . 1 1 32 32 ASN CA C 13 53.2236 0.16 . 1 . 12296 . . 32 ASN CA . 25184 1 145 . 1 1 32 32 ASN CB C 13 38.8439 0.16 . 1 . 9342 . . 32 ASN CB . 25184 1 146 . 1 1 32 32 ASN N N 15 118.8479 0.03 . 1 . 12279 . . 32 ASN N . 25184 1 147 . 1 1 33 33 SER H H 1 8.2612 0.001 . 1 . 9215 . . 33 SER H . 25184 1 148 . 1 1 33 33 SER C C 13 173.7572 0.16 . 1 . 13433 . . 33 SER C . 25184 1 149 . 1 1 33 33 SER CA C 13 58.2978 0.16 . 1 . 14599 . . 33 SER CA . 25184 1 150 . 1 1 33 33 SER CB C 13 63.8573 0.16 . 1 . 9078 . . 33 SER CB . 25184 1 151 . 1 1 33 33 SER N N 15 116.0623 0.03 . 1 . 9217 . . 33 SER N . 25184 1 152 . 1 1 34 34 ASN H H 1 8.3906 0.001 . 1 . 14592 . . 34 ASN H . 25184 1 153 . 1 1 34 34 ASN C C 13 173.3240 0.16 . 1 . 14611 . . 34 ASN C . 25184 1 154 . 1 1 34 34 ASN CA C 13 51.4904 0.16 . 1 . 14605 . . 34 ASN CA . 25184 1 155 . 1 1 34 34 ASN CB C 13 38.8155 0.16 . 1 . 14608 . . 34 ASN CB . 25184 1 156 . 1 1 34 34 ASN N N 15 121.2255 0.03 . 1 . 14594 . . 34 ASN N . 25184 1 157 . 1 1 35 35 PRO C C 13 177.2190 0.16 . 1 . . . . 35 PRO C . 25184 1 158 . 1 1 35 35 PRO CA C 13 63.6036 0.16 . 1 . . . . 35 PRO CA . 25184 1 159 . 1 1 35 35 PRO CB C 13 32.0609 0.16 . 1 . . . . 35 PRO CB . 25184 1 160 . 1 1 36 36 THR H H 1 8.1453 0.001 . 1 . . . . 36 THR H . 25184 1 161 . 1 1 36 36 THR C C 13 174.6227 0.16 . 1 . . . . 36 THR C . 25184 1 162 . 1 1 36 36 THR CA C 13 61.8724 0.16 . 1 . . . . 36 THR CA . 25184 1 163 . 1 1 36 36 THR CB C 13 69.4886 0.16 . 1 . . . . 36 THR CB . 25184 1 164 . 1 1 36 36 THR N N 15 113.0761 0.03 . 1 . . . . 36 THR N . 25184 1 165 . 1 1 37 37 SER H H 1 8.0885 0.001 . 1 . . . . 37 SER H . 25184 1 166 . 1 1 37 37 SER C C 13 172.7207 0.16 . 1 . . . . 37 SER C . 25184 1 167 . 1 1 37 37 SER N N 15 116.7377 0.03 . 1 . . . . 37 SER N . 25184 1 168 . 1 1 45 45 SER C C 13 174.8951 0.16 . 1 . 11169 . . 45 SER C . 25184 1 169 . 1 1 45 45 SER CA C 13 58.6132 0.16 . 1 . 10689 . . 45 SER CA . 25184 1 170 . 1 1 45 45 SER CB C 13 63.7894 0.16 . 1 . 10653 . . 45 SER CB . 25184 1 171 . 1 1 46 46 THR H H 1 8.2151 0.001 . 1 . 9101 . . 46 THR H . 25184 1 172 . 1 1 46 46 THR C C 13 174.7912 0.16 . 1 . 9894 . . 46 THR C . 25184 1 173 . 1 1 46 46 THR CA C 13 61.9624 0.16 . 1 . 9102 . . 46 THR CA . 25184 1 174 . 1 1 46 46 THR CB C 13 69.5975 0.16 . 1 . 9027 . . 46 THR CB . 25184 1 175 . 1 1 46 46 THR N N 15 115.4076 0.03 . 1 . 9103 . . 46 THR N . 25184 1 176 . 1 1 47 47 THR H H 1 8.0663 0.001 . 1 . 9968 . . 47 THR H . 25184 1 177 . 1 1 47 47 THR C C 13 174.1929 0.16 . 1 . 9969 . . 47 THR C . 25184 1 178 . 1 1 47 47 THR CA C 13 61.9873 0.16 . 1 . 9411 . . 47 THR CA . 25184 1 179 . 1 1 47 47 THR CB C 13 69.6552 0.16 . 1 . 9396 . . 47 THR CB . 25184 1 180 . 1 1 47 47 THR N N 15 115.7252 0.03 . 1 . 9970 . . 47 THR N . 25184 1 181 . 1 1 48 48 ASN H H 1 8.3674 0.001 . 1 . 10424 . . 48 ASN H . 25184 1 182 . 1 1 48 48 ASN C C 13 175.2336 0.16 . 1 . 13469 . . 48 ASN C . 25184 1 183 . 1 1 48 48 ASN CA C 13 53.1138 0.16 . 1 . 14337 . . 48 ASN CA . 25184 1 184 . 1 1 48 48 ASN CB C 13 38.6430 0.16 . 1 . 14326 . . 48 ASN CB . 25184 1 185 . 1 1 48 48 ASN N N 15 121.3030 0.03 . 1 . 10426 . . 48 ASN N . 25184 1 186 . 1 1 49 49 THR H H 1 8.0173 0.001 . 1 . 11267 . . 49 THR H . 25184 1 187 . 1 1 49 49 THR C C 13 174.3852 0.16 . 1 . 14316 . . 49 THR C . 25184 1 188 . 1 1 49 49 THR CA C 13 61.9916 0.16 . 1 . 14314 . . 49 THR CA . 25184 1 189 . 1 1 49 49 THR CB C 13 69.7045 0.16 . 1 . 14315 . . 49 THR CB . 25184 1 190 . 1 1 49 49 THR N N 15 114.2478 0.03 . 1 . 11269 . . 49 THR N . 25184 1 191 . 1 1 50 50 PHE H H 1 8.2248 0.001 . 1 . 10667 . . 50 PHE H . 25184 1 192 . 1 1 50 50 PHE C C 13 176.2441 0.16 . 1 . 12477 . . 50 PHE C . 25184 1 193 . 1 1 50 50 PHE CA C 13 58.1179 0.16 . 1 . 13448 . . 50 PHE CA . 25184 1 194 . 1 1 50 50 PHE CB C 13 39.1508 0.16 . 1 . 13449 . . 50 PHE CB . 25184 1 195 . 1 1 50 50 PHE N N 15 122.0989 0.03 . 1 . 10669 . . 50 PHE N . 25184 1 196 . 1 1 51 51 GLY H H 1 8.2495 0.001 . 1 . 9929 . . 51 GLY H . 25184 1 197 . 1 1 51 51 GLY C C 13 174.1088 0.16 . 1 . 13336 . . 51 GLY C . 25184 1 198 . 1 1 51 51 GLY CA C 13 45.3858 0.16 . 1 . 12474 . . 51 GLY CA . 25184 1 199 . 1 1 51 51 GLY N N 15 110.5445 0.03 . 1 . 9931 . . 51 GLY N . 25184 1 200 . 1 1 52 52 SER H H 1 8.1560 0.001 . 1 . 12837 . . 52 SER H . 25184 1 201 . 1 1 52 52 SER C C 13 174.4965 0.16 . 1 . 13385 . . 52 SER C . 25184 1 202 . 1 1 52 52 SER CA C 13 58.5432 0.16 . 1 . 13384 . . 52 SER CA . 25184 1 203 . 1 1 52 52 SER CB C 13 63.8053 0.16 . 1 . 13383 . . 52 SER CB . 25184 1 204 . 1 1 52 52 SER N N 15 115.5245 0.03 . 1 . 12839 . . 52 SER N . 25184 1 205 . 1 1 53 53 ASN H H 1 8.5100 0.001 . 1 . 11339 . . 53 ASN H . 25184 1 206 . 1 1 53 53 ASN C C 13 175.4090 0.16 . 1 . 14309 . . 53 ASN C . 25184 1 207 . 1 1 53 53 ASN CA C 13 53.3875 0.16 . 1 . 14308 . . 53 ASN CA . 25184 1 208 . 1 1 53 53 ASN CB C 13 38.8632 0.16 . 1 . 14307 . . 53 ASN CB . 25184 1 209 . 1 1 53 53 ASN N N 15 120.7600 0.03 . 1 . 11341 . . 53 ASN N . 25184 1 210 . 1 1 54 54 SER H H 1 8.2387 0.001 . 1 . 9914 . . 54 SER H . 25184 1 211 . 1 1 54 54 SER C C 13 174.3943 0.16 . 1 . 9915 . . 54 SER C . 25184 1 212 . 1 1 54 54 SER CA C 13 58.5256 0.16 . 1 . 13473 . . 54 SER CA . 25184 1 213 . 1 1 54 54 SER CB C 13 63.7245 0.16 . 1 . 13476 . . 54 SER CB . 25184 1 214 . 1 1 54 54 SER N N 15 116.2048 0.03 . 1 . 9916 . . 54 SER N . 25184 1 215 . 1 1 55 55 ALA H H 1 8.2775 0.001 . 1 . 9200 . . 55 ALA H . 25184 1 216 . 1 1 55 55 ALA C C 13 178.1800 0.16 . 1 . 9597 . . 55 ALA C . 25184 1 217 . 1 1 55 55 ALA CA C 13 52.8140 0.16 . 1 . 9201 . . 55 ALA CA . 25184 1 218 . 1 1 55 55 ALA CB C 13 19.1984 0.16 . 1 . 9006 . . 55 ALA CB . 25184 1 219 . 1 1 55 55 ALA N N 15 125.6578 0.03 . 1 . 9202 . . 55 ALA N . 25184 1 220 . 1 1 56 56 GLY H H 1 8.2579 0.001 . 1 . 10826 . . 56 GLY H . 25184 1 221 . 1 1 56 56 GLY C C 13 174.3960 0.16 . 1 . 9768 . . 56 GLY C . 25184 1 222 . 1 1 56 56 GLY CA C 13 45.3707 0.16 . 1 . 13067 . . 56 GLY CA . 25184 1 223 . 1 1 56 56 GLY N N 15 107.7219 0.03 . 1 . 10828 . . 56 GLY N . 25184 1 224 . 1 1 57 57 THR H H 1 7.9531 0.001 . 1 . 13057 . . 57 THR H . 25184 1 225 . 1 1 57 57 THR C C 13 174.6846 0.16 . 1 . 14429 . . 57 THR C . 25184 1 226 . 1 1 57 57 THR CA C 13 61.9993 0.16 . 1 . 14427 . . 57 THR CA . 25184 1 227 . 1 1 57 57 THR CB C 13 69.8694 0.16 . 1 . 14428 . . 57 THR CB . 25184 1 228 . 1 1 57 57 THR N N 15 113.2652 0.03 . 1 . 13059 . . 57 THR N . 25184 1 229 . 1 1 62 62 SER C C 13 174.7688 0.16 . 1 . 11343 . . 62 SER C . 25184 1 230 . 1 1 62 62 SER CA C 13 58.3182 0.16 . 1 . 13219 . . 62 SER CA . 25184 1 231 . 1 1 62 62 SER CB C 13 63.9034 0.16 . 1 . 13216 . . 62 SER CB . 25184 1 232 . 1 1 63 63 SER H H 1 8.3818 0.001 . 1 . 8684 . . 63 SER H . 25184 1 233 . 1 1 63 63 SER C C 13 174.8065 0.16 . 1 . . . . 63 SER C . 25184 1 234 . 1 1 63 63 SER CA C 13 58.5919 0.16 . 1 . 13228 . . 63 SER CA . 25184 1 235 . 1 1 63 63 SER CB C 13 63.8497 0.16 . 1 . 13225 . . 63 SER CB . 25184 1 236 . 1 1 63 63 SER N N 15 117.9117 0.03 . 1 . 8686 . . 63 SER N . 25184 1 237 . 1 1 64 64 SER H H 1 8.2989 0.001 . 1 . 8960 . . 64 SER H . 25184 1 238 . 1 1 64 64 SER C C 13 174.5462 0.16 . 1 . 9717 . . 64 SER C . 25184 1 239 . 1 1 64 64 SER CA C 13 58.6311 0.16 . 1 . 8742 . . 64 SER CA . 25184 1 240 . 1 1 64 64 SER CB C 13 63.7543 0.16 . 1 . 8688 . . 64 SER CB . 25184 1 241 . 1 1 64 64 SER N N 15 117.7232 0.03 . 1 . 8962 . . 64 SER N . 25184 1 242 . 1 1 65 65 ALA H H 1 8.2080 0.001 . 1 . 9383 . . 65 ALA H . 25184 1 243 . 1 1 65 65 ALA C C 13 177.8172 0.16 . 1 . 11142 . . 65 ALA C . 25184 1 244 . 1 1 65 65 ALA CA C 13 52.8255 0.16 . 1 . 9210 . . 65 ALA CA . 25184 1 245 . 1 1 65 65 ALA CB C 13 18.9620 0.16 . 1 . 9390 . . 65 ALA CB . 25184 1 246 . 1 1 65 65 ALA N N 15 125.5736 0.03 . 1 . 9385 . . 65 ALA N . 25184 1 247 . 1 1 66 66 GLN H H 1 8.1661 0.001 . 1 . 9254 . . 66 GLN H . 25184 1 248 . 1 1 66 66 GLN C C 13 176.1265 0.16 . 1 . 9864 . . 66 GLN C . 25184 1 249 . 1 1 66 66 GLN CA C 13 56.0904 0.16 . 1 . 9195 . . 66 GLN CA . 25184 1 250 . 1 1 66 66 GLN CB C 13 29.2819 0.16 . 1 . 9366 . . 66 GLN CB . 25184 1 251 . 1 1 66 66 GLN N N 15 118.7203 0.03 . 1 . 9256 . . 66 GLN N . 25184 1 252 . 1 1 67 67 GLN H H 1 8.2822 0.001 . 1 . 10547 . . 67 GLN H . 25184 1 253 . 1 1 67 67 GLN C C 13 176.1970 0.16 . 1 . 9642 . . 67 GLN C . 25184 1 254 . 1 1 67 67 GLN CA C 13 56.0116 0.16 . 1 . 8772 . . 67 GLN CA . 25184 1 255 . 1 1 67 67 GLN CB C 13 29.4102 0.16 . 1 . 8985 . . 67 GLN CB . 25184 1 256 . 1 1 67 67 GLN N N 15 121.1939 0.03 . 1 . 10549 . . 67 GLN N . 25184 1 257 . 1 1 68 68 THR H H 1 8.1546 0.001 . 1 . 12819 . . 68 THR H . 25184 1 258 . 1 1 68 68 THR C C 13 174.5069 0.16 . 1 . 9714 . . 68 THR C . 25184 1 259 . 1 1 68 68 THR CA C 13 61.9845 0.16 . 1 . 12859 . . 68 THR CA . 25184 1 260 . 1 1 68 68 THR CB C 13 69.7731 0.16 . 1 . 12835 . . 68 THR CB . 25184 1 261 . 1 1 68 68 THR N N 15 115.6015 0.03 . 1 . 12821 . . 68 THR N . 25184 1 262 . 1 1 69 69 LYS H H 1 8.3074 0.001 . 1 . 9713 . . 69 LYS H . 25184 1 263 . 1 1 69 69 LYS C C 13 176.5672 0.16 . 1 . 13356 . . 69 LYS C . 25184 1 264 . 1 1 69 69 LYS CA C 13 56.2774 0.16 . 1 . 8766 . . 69 LYS CA . 25184 1 265 . 1 1 69 69 LYS CB C 13 32.9297 0.16 . 1 . 8970 . . 69 LYS CB . 25184 1 266 . 1 1 69 69 LYS N N 15 123.6543 0.03 . 1 . 9715 . . 69 LYS N . 25184 1 267 . 1 1 70 70 SER H H 1 8.3310 0.001 . 1 . 13346 . . 70 SER H . 25184 1 268 . 1 1 70 70 SER C C 13 174.3986 0.16 . 1 . 13365 . . 70 SER C . 25184 1 269 . 1 1 70 70 SER CA C 13 58.3407 0.16 . 1 . 8730 . . 70 SER CA . 25184 1 270 . 1 1 70 70 SER CB C 13 63.8043 0.16 . 1 . 13362 . . 70 SER CB . 25184 1 271 . 1 1 70 70 SER N N 15 116.9200 0.03 . 1 . 13348 . . 70 SER N . 25184 1 272 . 1 1 71 71 ASN H H 1 8.4442 0.001 . 1 . 8729 . . 71 ASN H . 25184 1 273 . 1 1 71 71 ASN C C 13 175.7233 0.16 . 1 . 9567 . . 71 ASN C . 25184 1 274 . 1 1 71 71 ASN CA C 13 53.1757 0.16 . 1 . 11364 . . 71 ASN CA . 25184 1 275 . 1 1 71 71 ASN CB C 13 38.7681 0.16 . 1 . 11367 . . 71 ASN CB . 25184 1 276 . 1 1 71 71 ASN N N 15 120.8251 0.03 . 1 . 8731 . . 71 ASN N . 25184 1 277 . 1 1 72 72 GLY H H 1 8.3346 0.001 . 1 . 8948 . . 72 GLY H . 25184 1 278 . 1 1 72 72 GLY C C 13 174.3972 0.16 . 1 . 13342 . . 72 GLY C . 25184 1 279 . 1 1 72 72 GLY CA C 13 45.4695 0.16 . 1 . 10860 . . 72 GLY CA . 25184 1 280 . 1 1 72 72 GLY N N 15 109.0101 0.03 . 1 . 8950 . . 72 GLY N . 25184 1 281 . 1 1 73 73 THR H H 1 8.0459 0.001 . 1 . 10859 . . 73 THR H . 25184 1 282 . 1 1 73 73 THR C C 13 174.5721 0.16 . 1 . 13340 . . 73 THR C . 25184 1 283 . 1 1 73 73 THR CA C 13 61.7608 0.16 . 1 . 13339 . . 73 THR CA . 25184 1 284 . 1 1 73 73 THR CB C 13 69.8992 0.16 . 1 . 13338 . . 73 THR CB . 25184 1 285 . 1 1 73 73 THR N N 15 113.4632 0.03 . 1 . 10861 . . 73 THR N . 25184 1 286 . 1 1 74 74 ALA H H 1 8.3581 0.001 . 1 . 9710 . . 74 ALA H . 25184 1 287 . 1 1 74 74 ALA C C 13 178.0899 0.16 . 1 . 9594 . . 74 ALA C . 25184 1 288 . 1 1 74 74 ALA CA C 13 52.6613 0.16 . 1 . 11654 . . 74 ALA CA . 25184 1 289 . 1 1 74 74 ALA CB C 13 19.0395 0.16 . 1 . 9003 . . 74 ALA CB . 25184 1 290 . 1 1 74 74 ALA N N 15 126.4908 0.03 . 1 . 9712 . . 74 ALA N . 25184 1 291 . 1 1 75 75 GLY H H 1 8.3112 0.001 . 1 . 9593 . . 75 GLY H . 25184 1 292 . 1 1 75 75 GLY C C 13 174.6331 0.16 . 1 . 11196 . . 75 GLY C . 25184 1 293 . 1 1 75 75 GLY CA C 13 45.2494 0.16 . 1 . 10746 . . 75 GLY CA . 25184 1 294 . 1 1 75 75 GLY N N 15 108.2607 0.03 . 1 . 9595 . . 75 GLY N . 25184 1 295 . 1 1 76 76 GLY H H 1 8.1877 0.001 . 1 . 9320 . . 76 GLY H . 25184 1 296 . 1 1 76 76 GLY C C 13 173.9231 0.16 . 1 . 13323 . . 76 GLY C . 25184 1 297 . 1 1 76 76 GLY CA C 13 45.3322 0.16 . 1 . . . . 76 GLY CA . 25184 1 298 . 1 1 76 76 GLY N N 15 108.5016 0.03 . 1 . 9322 . . 76 GLY N . 25184 1 299 . 1 1 87 87 ASN C C 13 175.3628 0.16 . 1 . . . . 87 ASN C . 25184 1 300 . 1 1 87 87 ASN CA C 13 53.3677 0.16 . 1 . . . . 87 ASN CA . 25184 1 301 . 1 1 87 87 ASN CB C 13 38.8969 0.16 . 1 . . . . 87 ASN CB . 25184 1 302 . 1 1 88 88 SER H H 1 8.2872 0.001 . 1 . . . . 88 SER H . 25184 1 303 . 1 1 88 88 SER CA C 13 58.9529 0.16 . 1 . . . . 88 SER CA . 25184 1 304 . 1 1 88 88 SER CB C 13 63.7764 0.16 . 1 . . . . 88 SER CB . 25184 1 305 . 1 1 88 88 SER N N 15 116.0459 0.03 . 1 . . . . 88 SER N . 25184 1 306 . 1 1 89 89 THR C C 13 174.4162 0.16 . 1 . . . . 89 THR C . 25184 1 307 . 1 1 89 89 THR CA C 13 62.0529 0.16 . 1 . . . . 89 THR CA . 25184 1 308 . 1 1 89 89 THR CB C 13 69.4886 0.16 . 1 . . . . 89 THR CB . 25184 1 309 . 1 1 90 90 ASN H H 1 8.3381 0.001 . 1 . . . . 90 ASN H . 25184 1 310 . 1 1 90 90 ASN CA C 13 53.4212 0.16 . 1 . . . . 90 ASN CA . 25184 1 311 . 1 1 90 90 ASN CB C 13 38.7700 0.16 . 1 . . . . 90 ASN CB . 25184 1 312 . 1 1 90 90 ASN N N 15 120.8038 0.03 . 1 . . . . 90 ASN N . 25184 1 313 . 1 1 92 92 ASN C C 13 175.4562 0.16 . 1 . . . . 92 ASN C . 25184 1 314 . 1 1 92 92 ASN CA C 13 53.2407 0.16 . 1 . . . . 92 ASN CA . 25184 1 315 . 1 1 92 92 ASN CB C 13 38.6430 0.16 . 1 . . . . 92 ASN CB . 25184 1 316 . 1 1 93 93 THR H H 1 8.0587 0.001 . 1 . . . . 93 THR H . 25184 1 317 . 1 1 93 93 THR CA C 13 61.9993 0.16 . 1 . . . . 93 THR CA . 25184 1 318 . 1 1 93 93 THR CB C 13 69.7425 0.16 . 1 . . . . 93 THR CB . 25184 1 319 . 1 1 93 93 THR N N 15 113.9233 0.03 . 1 . . . . 93 THR N . 25184 1 320 . 1 1 97 97 ALA H H 1 8.2590 0.001 . 1 . . . . 97 ALA H . 25184 1 321 . 1 1 97 97 ALA C C 13 177.4060 0.16 . 1 . . . . 97 ALA C . 25184 1 322 . 1 1 97 97 ALA CA C 13 52.2887 0.16 . 1 . . . . 97 ALA CA . 25184 1 323 . 1 1 97 97 ALA CB C 13 19.0630 0.16 . 1 . . . . 97 ALA CB . 25184 1 324 . 1 1 97 97 ALA N N 15 124.1900 0.03 . 1 . . . . 97 ALA N . 25184 1 325 . 1 1 98 98 PHE H H 1 8.1220 0.001 . 1 . . . . 98 PHE H . 25184 1 326 . 1 1 98 98 PHE C C 13 176.2695 0.16 . 1 . . . . 98 PHE C . 25184 1 327 . 1 1 98 98 PHE CA C 13 57.8700 0.16 . 1 . . . . 98 PHE CA . 25184 1 328 . 1 1 98 98 PHE CB C 13 39.3576 0.16 . 1 . . . . 98 PHE CB . 25184 1 329 . 1 1 98 98 PHE N N 15 119.3310 0.03 . 1 . . . . 98 PHE N . 25184 1 330 . 1 1 99 99 GLY H H 1 8.2707 0.001 . 1 . . . . 99 GLY H . 25184 1 331 . 1 1 99 99 GLY C C 13 174.0842 0.16 . 1 . . . . 99 GLY C . 25184 1 332 . 1 1 99 99 GLY CA C 13 45.4242 0.16 . 1 . . . . 99 GLY CA . 25184 1 333 . 1 1 99 99 GLY N N 15 110.7661 0.03 . 1 . . . . 99 GLY N . 25184 1 334 . 1 1 104 104 GLY C C 13 174.6033 0.16 . 1 . 11280 . . 104 GLY C . 25184 1 335 . 1 1 104 104 GLY CA C 13 45.1292 0.16 . 1 . 10866 . . 104 GLY CA . 25184 1 336 . 1 1 105 105 GLY H H 1 8.0071 0.001 . 1 . 9449 . . 105 GLY H . 25184 1 337 . 1 1 105 105 GLY C C 13 174.6327 0.16 . 1 . 13014 . . 105 GLY C . 25184 1 338 . 1 1 105 105 GLY CA C 13 45.1168 0.16 . 1 . 9450 . . 105 GLY CA . 25184 1 339 . 1 1 105 105 GLY N N 15 108.4966 0.03 . 1 . 9451 . . 105 GLY N . 25184 1 340 . 1 1 106 106 GLY H H 1 8.2619 0.001 . 1 . 9305 . . 106 GLY H . 25184 1 341 . 1 1 106 106 GLY C C 13 173.9032 0.16 . 1 . 13309 . . 106 GLY C . 25184 1 342 . 1 1 106 106 GLY CA C 13 45.1168 0.16 . 1 . 9450 . . 106 GLY CA . 25184 1 343 . 1 1 106 106 GLY N N 15 108.6635 0.03 . 1 . 9307 . . 106 GLY N . 25184 1 344 . 1 1 107 107 ASN H H 1 8.3380 0.001 . 1 . 9659 . . 107 ASN H . 25184 1 345 . 1 1 107 107 ASN C C 13 174.9556 0.16 . 1 . 9576 . . 107 ASN C . 25184 1 346 . 1 1 107 107 ASN CA C 13 53.1138 0.16 . 1 . 13313 . . 107 ASN CA . 25184 1 347 . 1 1 107 107 ASN CB C 13 38.7700 0.16 . 1 . 13312 . . 107 ASN CB . 25184 1 348 . 1 1 107 107 ASN N N 15 118.5880 0.03 . 1 . 9661 . . 107 ASN N . 25184 1 349 . 1 1 108 108 ASN H H 1 8.4411 0.001 . 1 . 9671 . . 108 ASN H . 25184 1 350 . 1 1 108 108 ASN C C 13 175.2443 0.16 . 1 . 13303 . . 108 ASN C . 25184 1 351 . 1 1 108 108 ASN CA C 13 53.4410 0.16 . 1 . 13304 . . 108 ASN CA . 25184 1 352 . 1 1 108 108 ASN CB C 13 38.7700 0.16 . 1 . 13305 . . 108 ASN CB . 25184 1 353 . 1 1 108 108 ASN N N 15 119.1939 0.03 . 1 . 9673 . . 108 ASN N . 25184 1 354 . 1 1 109 109 THR H H 1 8.1003 0.001 . 1 . 12909 . . 109 THR H . 25184 1 355 . 1 1 109 109 THR C C 13 174.4311 0.16 . 1 . 14478 . . 109 THR C . 25184 1 356 . 1 1 109 109 THR CA C 13 61.9466 0.16 . 1 . 12949 . . 109 THR CA . 25184 1 357 . 1 1 109 109 THR CB C 13 69.8783 0.16 . 1 . 12946 . . 109 THR CB . 25184 1 358 . 1 1 109 109 THR N N 15 113.9322 0.03 . 1 . 12911 . . 109 THR N . 25184 1 359 . 1 1 110 110 THR H H 1 8.1964 0.001 . 1 . 10637 . . 110 THR H . 25184 1 360 . 1 1 110 110 THR C C 13 172.8541 0.16 . 1 . 9939 . . 110 THR C . 25184 1 361 . 1 1 110 110 THR CA C 13 60.1424 0.16 . 1 . 9117 . . 110 THR CA . 25184 1 362 . 1 1 110 110 THR CB C 13 69.7609 0.16 . 1 . 9024 . . 110 THR CB . 25184 1 363 . 1 1 110 110 THR N N 15 118.9981 0.03 . 1 . 10639 . . 110 THR N . 25184 1 364 . 1 1 111 111 PRO C C 13 176.9324 0.16 . 1 . 11007 . . 111 PRO C . 25184 1 365 . 1 1 111 111 PRO CA C 13 63.3011 0.16 . 1 . 10458 . . 111 PRO CA . 25184 1 366 . 1 1 111 111 PRO CB C 13 32.0003 0.16 . 1 . 10578 . . 111 PRO CB . 25184 1 367 . 1 1 112 112 SER H H 1 8.3873 0.001 . 1 . 10604 . . 112 SER H . 25184 1 368 . 1 1 112 112 SER C C 13 174.8688 0.16 . 1 . . . . 112 SER C . 25184 1 369 . 1 1 112 112 SER CA C 13 58.5274 0.16 . 1 . 11482 . . 112 SER CA . 25184 1 370 . 1 1 112 112 SER CB C 13 63.8548 0.16 . 1 . 14502 . . 112 SER CB . 25184 1 371 . 1 1 112 112 SER N N 15 115.9211 0.03 . 1 . 10606 . . 112 SER N . 25184 1 372 . 1 1 113 113 SER H H 1 8.4209 0.001 . 1 . 8681 . . 113 SER H . 25184 1 373 . 1 1 113 113 SER C C 13 174.8847 0.16 . 1 . . . . 113 SER C . 25184 1 374 . 1 1 113 113 SER CA C 13 58.5258 0.16 . 1 . 13422 . . 113 SER CA . 25184 1 375 . 1 1 113 113 SER CB C 13 63.7750 0.16 . 1 . 13421 . . 113 SER CB . 25184 1 376 . 1 1 113 113 SER N N 15 117.9053 0.03 . 1 . 8683 . . 113 SER N . 25184 1 377 . 1 1 114 114 THR H H 1 8.1444 0.001 . 1 . 9032 . . 114 THR H . 25184 1 378 . 1 1 114 114 THR C C 13 175.1448 0.16 . 1 . 9891 . . 114 THR C . 25184 1 379 . 1 1 114 114 THR CA C 13 62.0727 0.16 . 1 . 9108 . . 114 THR CA . 25184 1 380 . 1 1 114 114 THR CB C 13 69.6111 0.16 . 1 . 9033 . . 114 THR CB . 25184 1 381 . 1 1 114 114 THR N N 15 115.0361 0.03 . 1 . 9034 . . 114 THR N . 25184 1 382 . 1 1 115 115 GLY H H 1 8.2990 0.001 . 1 . 9782 . . 115 GLY H . 25184 1 383 . 1 1 115 115 GLY C C 13 173.8492 0.16 . 1 . 13328 . . 115 GLY C . 25184 1 384 . 1 1 115 115 GLY CA C 13 45.4223 0.16 . 1 . 13327 . . 115 GLY CA . 25184 1 385 . 1 1 115 115 GLY N N 15 110.7924 0.03 . 1 . 9784 . . 115 GLY N . 25184 1 386 . 1 1 116 116 ASN C C 13 175.0492 0.16 . 1 . 11091 . . 116 ASN C . 25184 1 387 . 1 1 116 116 ASN CA C 13 52.9060 0.16 . 1 . 11901 . . 116 ASN CA . 25184 1 388 . 1 1 116 116 ASN CB C 13 38.7700 0.16 . 1 . 11898 . . 116 ASN CB . 25184 1 389 . 1 1 117 117 ALA H H 1 8.3230 0.001 . 1 . 8897 . . 117 ALA H . 25184 1 390 . 1 1 117 117 ALA C C 13 177.4963 0.16 . 1 . 9606 . . 117 ALA C . 25184 1 391 . 1 1 117 117 ALA CA C 13 52.9868 0.16 . 1 . 11904 . . 117 ALA CA . 25184 1 392 . 1 1 117 117 ALA CB C 13 19.0948 0.16 . 1 . 11907 . . 117 ALA CB . 25184 1 393 . 1 1 117 117 ALA N N 15 124.3787 0.03 . 1 . 8899 . . 117 ALA N . 25184 1 394 . 1 1 118 118 ASN H H 1 8.4098 0.001 . 1 . 8855 . . 118 ASN H . 25184 1 395 . 1 1 118 118 ASN C C 13 175.5821 0.16 . 1 . 9663 . . 118 ASN C . 25184 1 396 . 1 1 118 118 ASN CA C 13 53.3141 0.16 . 1 . 8808 . . 118 ASN CA . 25184 1 397 . 1 1 118 118 ASN CB C 13 38.6430 0.16 . 1 . 9462 . . 118 ASN CB . 25184 1 398 . 1 1 118 118 ASN N N 15 117.6888 0.03 . 1 . 8857 . . 118 ASN N . 25184 1 399 . 1 1 119 119 THR H H 1 8.0443 0.001 . 1 . 11351 . . 119 THR H . 25184 1 400 . 1 1 119 119 THR C C 13 174.5960 0.16 . 1 . 13270 . . 119 THR C . 25184 1 401 . 1 1 119 119 THR CA C 13 61.9621 0.16 . 1 . 13264 . . 119 THR CA . 25184 1 402 . 1 1 119 119 THR CB C 13 69.7020 0.16 . 1 . 13267 . . 119 THR CB . 25184 1 403 . 1 1 119 119 THR N N 15 113.6825 0.03 . 1 . 11353 . . 119 THR N . 25184 1 404 . 1 1 120 120 SER H H 1 8.0919 0.001 . 1 . 9074 . . 120 SER H . 25184 1 405 . 1 1 120 120 SER C C 13 174.1312 0.16 . 1 . 14302 . . 120 SER C . 25184 1 406 . 1 1 120 120 SER CA C 13 58.3182 0.16 . 1 . 12952 . . 120 SER CA . 25184 1 407 . 1 1 120 120 SER CB C 13 63.7764 0.16 . 1 . 9075 . . 120 SER CB . 25184 1 408 . 1 1 120 120 SER N N 15 117.2981 0.03 . 1 . 9076 . . 120 SER N . 25184 1 409 . 1 1 121 121 ASN H H 1 8.3766 0.001 . 1 . 14162 . . 121 ASN H . 25184 1 410 . 1 1 121 121 ASN C C 13 173.3589 0.16 . 1 . 14281 . . 121 ASN C . 25184 1 411 . 1 1 121 121 ASN CB C 13 38.8969 0.16 . 1 . 14449 . . 121 ASN CB . 25184 1 412 . 1 1 121 121 ASN N N 15 121.0315 0.03 . 1 . 14164 . . 121 ASN N . 25184 1 stop_ save_