################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51093 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name default_chemical_shift_list_GB1_pSu9(1-69) _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_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 TROSY' . . . 51093 1 2 '3D HNCO' . . . 51093 1 3 '3D HN(CA)CO' . . . 51093 1 4 '3D HN(CO)CACB' . . . 51093 1 5 '3D HNCA' . . . 51093 1 6 '3D HNCACB' . . . 51093 1 7 '3D HN(CO)CA' . . . 51093 1 8 HncocaNH . . . 51093 1 9 HncacoNH . . . 51093 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51093 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 8 8 MET H H 1 8.276268945 0.007260208316 . . . . . . . 8 MET H . 51093 1 2 . 1 . 1 8 8 MET C C 13 175.992025 0.008031298144 . . . . . . . 8 MET C . 51093 1 3 . 1 . 1 8 8 MET CA C 13 55.1991768 0 . . . . . . . 8 MET CA . 51093 1 4 . 1 . 1 8 8 MET CB C 13 34.79208953 0 . . . . . . . 8 MET CB . 51093 1 5 . 1 . 1 8 8 MET N N 15 120.146711 0.02694024143 . . . . . . . 8 MET N . 51093 1 6 . 1 . 1 9 9 LYS H H 1 8.304165474 0.0000001192092896 . . . . . . . 9 LYS H . 51093 1 7 . 1 . 1 9 9 LYS C C 13 173.988979 0.005888583292 . . . . . . . 9 LYS C . 51093 1 8 . 1 . 1 9 9 LYS CA C 13 54.91114069 0.07624898185 . . . . . . . 9 LYS CA . 51093 1 9 . 1 . 1 9 9 LYS CB C 13 34.90898025 0 . . . . . . . 9 LYS CB . 51093 1 10 . 1 . 1 9 9 LYS N N 15 122.8285091 0.000004046097457 . . . . . . . 9 LYS N . 51093 1 11 . 1 . 1 10 10 GLN H H 1 7.933201208 0.002202887565 . . . . . . . 10 GLN H . 51093 1 12 . 1 . 1 10 10 GLN C C 13 175.0912913 0.01039035411 . . . . . . . 10 GLN C . 51093 1 13 . 1 . 1 10 10 GLN CA C 13 55.57761258 0 . . . . . . . 10 GLN CA . 51093 1 14 . 1 . 1 10 10 GLN CB C 13 30.79428104 0 . . . . . . . 10 GLN CB . 51093 1 15 . 1 . 1 10 10 GLN N N 15 119.5752882 0.0568190694 . . . . . . . 10 GLN N . 51093 1 16 . 1 . 1 11 11 TYR H H 1 9.029757312 0.004082912226 . . . . . . . 11 TYR H . 51093 1 17 . 1 . 1 11 11 TYR C C 13 174.7783035 0.002575189082 . . . . . . . 11 TYR C . 51093 1 18 . 1 . 1 11 11 TYR CA C 13 57.31149922 0 . . . . . . . 11 TYR CA . 51093 1 19 . 1 . 1 11 11 TYR CB C 13 43.45532177 0 . . . . . . . 11 TYR CB . 51093 1 20 . 1 . 1 11 11 TYR N N 15 125.2300032 0.03393794925 . . . . . . . 11 TYR N . 51093 1 21 . 1 . 1 12 12 LYS H H 1 8.993774886 0.008004618047 . . . . . . . 12 LYS H . 51093 1 22 . 1 . 1 12 12 LYS C C 13 172.7907812 0.0002288818359 . . . . . . . 12 LYS C . 51093 1 23 . 1 . 1 12 12 LYS CA C 13 55.21713808 0.01016578873 . . . . . . . 12 LYS CA . 51093 1 24 . 1 . 1 12 12 LYS CB C 13 36.19631641 0.05686124841 . . . . . . . 12 LYS CB . 51093 1 25 . 1 . 1 12 12 LYS N N 15 123.1637284 0.02057075947 . . . . . . . 12 LYS N . 51093 1 26 . 1 . 1 13 13 LEU H H 1 8.523451387 0.002482558527 . . . . . . . 13 LEU H . 51093 1 27 . 1 . 1 13 13 LEU C C 13 174.5255703 0.0002288818359 . . . . . . . 13 LEU C . 51093 1 28 . 1 . 1 13 13 LEU CA C 13 52.79117588 0 . . . . . . . 13 LEU CA . 51093 1 29 . 1 . 1 13 13 LEU CB C 13 42.81026967 0 . . . . . . . 13 LEU CB . 51093 1 30 . 1 . 1 13 13 LEU N N 15 127.1881623 0.01691709378 . . . . . . . 13 LEU N . 51093 1 31 . 1 . 1 14 14 ILE H H 1 8.946591558 0.007998573059 . . . . . . . 14 ILE H . 51093 1 32 . 1 . 1 14 14 ILE C C 13 174.633697 0.01942035141 . . . . . . . 14 ILE C . 51093 1 33 . 1 . 1 14 14 ILE CA C 13 60.39521172 0 . . . . . . . 14 ILE CA . 51093 1 34 . 1 . 1 14 14 ILE CB C 13 38.25508082 0 . . . . . . . 14 ILE CB . 51093 1 35 . 1 . 1 14 14 ILE N N 15 126.8879571 0.04976998066 . . . . . . . 14 ILE N . 51093 1 36 . 1 . 1 15 15 LEU H H 1 8.596389247 0.0099161838 . . . . . . . 15 LEU H . 51093 1 37 . 1 . 1 15 15 LEU C C 13 174.8084589 0.07375927361 . . . . . . . 15 LEU C . 51093 1 38 . 1 . 1 15 15 LEU CA C 13 54.53913609 0 . . . . . . . 15 LEU CA . 51093 1 39 . 1 . 1 15 15 LEU CB C 13 42.38664712 0 . . . . . . . 15 LEU CB . 51093 1 40 . 1 . 1 15 15 LEU N N 15 126.5203807 0.012797152 . . . . . . . 15 LEU N . 51093 1 41 . 1 . 1 16 16 ASN H H 1 8.710451726 0.007806815767 . . . . . . . 16 ASN H . 51093 1 42 . 1 . 1 16 16 ASN C C 13 175.3895217 0.01414644581 . . . . . . . 16 ASN C . 51093 1 43 . 1 . 1 16 16 ASN CA C 13 51.29460575 0 . . . . . . . 16 ASN CA . 51093 1 44 . 1 . 1 16 16 ASN CB C 13 38.28234051 0.0000004768371582 . . . . . . . 16 ASN CB . 51093 1 45 . 1 . 1 16 16 ASN N N 15 126.1564785 0.06433905173 . . . . . . . 16 ASN N . 51093 1 46 . 1 . 1 17 17 GLY H H 1 7.802678947 0.006055471345 . . . . . . . 17 GLY H . 51093 1 47 . 1 . 1 17 17 GLY C C 13 173.3404917 0.000322070939 . . . . . . . 17 GLY C . 51093 1 48 . 1 . 1 17 17 GLY CA C 13 44.83409448 0 . . . . . . . 17 GLY CA . 51093 1 49 . 1 . 1 17 17 GLY N N 15 110.608193 0.03466577624 . . . . . . . 17 GLY N . 51093 1 50 . 1 . 1 18 18 LYS H H 1 9.138037374 0.006076326483 . . . . . . . 18 LYS H . 51093 1 51 . 1 . 1 18 18 LYS C C 13 178.7053934 0.009451569343 . . . . . . . 18 LYS C . 51093 1 52 . 1 . 1 18 18 LYS CA C 13 59.2376094 0 . . . . . . . 18 LYS CA . 51093 1 53 . 1 . 1 18 18 LYS CB C 13 32.6910539 0 . . . . . . . 18 LYS CB . 51093 1 54 . 1 . 1 18 18 LYS N N 15 121.7872344 0.04961970137 . . . . . . . 18 LYS N . 51093 1 55 . 1 . 1 19 19 THR H H 1 8.707040736 0.003175307325 . . . . . . . 19 THR H . 51093 1 56 . 1 . 1 19 19 THR C C 13 173.798099 0.01113871172 . . . . . . . 19 THR C . 51093 1 57 . 1 . 1 19 19 THR CA C 13 62.08448515 0 . . . . . . . 19 THR CA . 51093 1 58 . 1 . 1 19 19 THR CB C 13 69.77665211 0 . . . . . . . 19 THR CB . 51093 1 59 . 1 . 1 19 19 THR N N 15 109.3898548 0.05622561169 . . . . . . . 19 THR N . 51093 1 60 . 1 . 1 20 20 LEU H H 1 7.206304539 0.005754349229 . . . . . . . 20 LEU H . 51093 1 61 . 1 . 1 20 20 LEU C C 13 173.3759198 0.005974694318 . . . . . . . 20 LEU C . 51093 1 62 . 1 . 1 20 20 LEU CA C 13 55.23431905 0 . . . . . . . 20 LEU CA . 51093 1 63 . 1 . 1 20 20 LEU CB C 13 43.76165757 0 . . . . . . . 20 LEU CB . 51093 1 64 . 1 . 1 20 20 LEU N N 15 125.5671463 0.02795760142 . . . . . . . 20 LEU N . 51093 1 65 . 1 . 1 21 21 LYS H H 1 8.001900501 0.005275383178 . . . . . . . 21 LYS H . 51093 1 66 . 1 . 1 21 21 LYS C C 13 176.2323982 0.009864744989 . . . . . . . 21 LYS C . 51093 1 67 . 1 . 1 21 21 LYS CA C 13 54.05191982 0 . . . . . . . 21 LYS CA . 51093 1 68 . 1 . 1 21 21 LYS CB C 13 35.03981115 0 . . . . . . . 21 LYS CB . 51093 1 69 . 1 . 1 21 21 LYS N N 15 124.3524128 0.0245650054 . . . . . . . 21 LYS N . 51093 1 70 . 1 . 1 22 22 GLY H H 1 8.281552817 0.006597303467 . . . . . . . 22 GLY H . 51093 1 71 . 1 . 1 22 22 GLY C C 13 171.2474943 0.0006870056903 . . . . . . . 22 GLY C . 51093 1 72 . 1 . 1 22 22 GLY CA C 13 45.25953251 0 . . . . . . . 22 GLY CA . 51093 1 73 . 1 . 1 22 22 GLY N N 15 110.0703063 0.03258231293 . . . . . . . 22 GLY N . 51093 1 74 . 1 . 1 23 23 GLU H H 1 8.269743196 0.003549314956 . . . . . . . 23 GLU H . 51093 1 75 . 1 . 1 23 23 GLU C C 13 175.2345982 0.005873876065 . . . . . . . 23 GLU C . 51093 1 76 . 1 . 1 23 23 GLU CA C 13 54.66921454 0 . . . . . . . 23 GLU CA . 51093 1 77 . 1 . 1 23 23 GLU CB C 13 34.01318214 0 . . . . . . . 23 GLU CB . 51093 1 78 . 1 . 1 23 23 GLU N N 15 119.350143 0.05995277546 . . . . . . . 23 GLU N . 51093 1 79 . 1 . 1 24 24 THR H H 1 8.656449974 0.0000001192092896 . . . . . . . 24 THR H . 51093 1 80 . 1 . 1 24 24 THR C C 13 172.0156172 0.0002289295147 . . . . . . . 24 THR C . 51093 1 81 . 1 . 1 24 24 THR CA C 13 60.6880423 0 . . . . . . . 24 THR CA . 51093 1 82 . 1 . 1 24 24 THR CB C 13 69.63968331 0 . . . . . . . 24 THR CB . 51093 1 83 . 1 . 1 24 24 THR N N 15 116.7377219 0.000003015782986 . . . . . . . 24 THR N . 51093 1 84 . 1 . 1 25 25 THR H H 1 7.986583667 0.00000008429369702 . . . . . . . 25 THR H . 51093 1 85 . 1 . 1 25 25 THR C C 13 173.9901227 0.003306012398 . . . . . . . 25 THR C . 51093 1 86 . 1 . 1 25 25 THR CA C 13 60.06965538 0 . . . . . . . 25 THR CA . 51093 1 87 . 1 . 1 25 25 THR CB C 13 73.41314624 0 . . . . . . . 25 THR CB . 51093 1 88 . 1 . 1 25 25 THR N N 15 112.8212417 0.000003015782986 . . . . . . . 25 THR N . 51093 1 89 . 1 . 1 26 26 THR H H 1 8.861515831 0.01169977055 . . . . . . . 26 THR H . 51093 1 90 . 1 . 1 26 26 THR C C 13 171.2269193 0.004683156177 . . . . . . . 26 THR C . 51093 1 91 . 1 . 1 26 26 THR CA C 13 62.34815418 0 . . . . . . . 26 THR CA . 51093 1 92 . 1 . 1 26 26 THR CB C 13 70.03708153 0 . . . . . . . 26 THR CB . 51093 1 93 . 1 . 1 26 26 THR N N 15 115.4682903 0.05291481402 . . . . . . . 26 THR N . 51093 1 94 . 1 . 1 27 27 GLU H H 1 7.833527842 0.007480038277 . . . . . . . 27 GLU H . 51093 1 95 . 1 . 1 27 27 GLU C C 13 175.9571028 0.01078143303 . . . . . . . 27 GLU C . 51093 1 96 . 1 . 1 27 27 GLU CA C 13 54.82155808 0 . . . . . . . 27 GLU CA . 51093 1 97 . 1 . 1 27 27 GLU CB C 13 31.7693389 0 . . . . . . . 27 GLU CB . 51093 1 98 . 1 . 1 27 27 GLU N N 15 124.1882176 0.06316744427 . . . . . . . 27 GLU N . 51093 1 99 . 1 . 1 28 28 ALA H H 1 9.282802887 0.002085999329 . . . . . . . 28 ALA H . 51093 1 100 . 1 . 1 28 28 ALA C C 13 177.5246803 0.01103263012 . . . . . . . 28 ALA C . 51093 1 101 . 1 . 1 28 28 ALA CA C 13 51.4866443 0.01157524078 . . . . . . . 28 ALA CA . 51093 1 102 . 1 . 1 28 28 ALA CB C 13 23.61769532 0 . . . . . . . 28 ALA CB . 51093 1 103 . 1 . 1 28 28 ALA N N 15 125.0709476 0.04770375085 . . . . . . . 28 ALA N . 51093 1 104 . 1 . 1 29 29 VAL H H 1 8.624852787 0.004356826539 . . . . . . . 29 VAL H . 51093 1 105 . 1 . 1 29 29 VAL C C 13 175.0407995 0.01176589634 . . . . . . . 29 VAL C . 51093 1 106 . 1 . 1 29 29 VAL CA C 13 63.45231499 0.0000009536743164 . . . . . . . 29 VAL CA . 51093 1 107 . 1 . 1 29 29 VAL CB C 13 32.40420474 0 . . . . . . . 29 VAL CB . 51093 1 108 . 1 . 1 29 29 VAL N N 15 115.6669527 0.06668061804 . . . . . . . 29 VAL N . 51093 1 109 . 1 . 1 30 30 ASP H H 1 7.240504736 0.01666479711 . . . . . . . 30 ASP H . 51093 1 110 . 1 . 1 30 30 ASP C C 13 174.5349667 0.0008288214441 . . . . . . . 30 ASP C . 51093 1 111 . 1 . 1 30 30 ASP CA C 13 52.74533462 0 . . . . . . . 30 ASP CA . 51093 1 112 . 1 . 1 30 30 ASP CB C 13 42.13091115 0 . . . . . . . 30 ASP CB . 51093 1 113 . 1 . 1 30 30 ASP N N 15 115.6915157 0.03597811771 . . . . . . . 30 ASP N . 51093 1 114 . 1 . 1 31 31 ALA H H 1 8.122096772 0.005385684883 . . . . . . . 31 ALA H . 51093 1 115 . 1 . 1 31 31 ALA C C 13 179.1503478 0.01045022269 . . . . . . . 31 ALA C . 51093 1 116 . 1 . 1 31 31 ALA CA C 13 54.54815511 0.0000009536743164 . . . . . . . 31 ALA CA . 51093 1 117 . 1 . 1 31 31 ALA CB C 13 17.70375426 0 . . . . . . . 31 ALA CB . 51093 1 118 . 1 . 1 31 31 ALA N N 15 121.8663882 0.0524105646 . . . . . . . 31 ALA N . 51093 1 119 . 1 . 1 32 32 ALA H H 1 7.918166202 0.002428556403 . . . . . . . 32 ALA H . 51093 1 120 . 1 . 1 32 32 ALA C C 13 180.8091708 0.008326022474 . . . . . . . 32 ALA C . 51093 1 121 . 1 . 1 32 32 ALA CA C 13 54.78399172 0 . . . . . . . 32 ALA CA . 51093 1 122 . 1 . 1 32 32 ALA CB C 13 17.91737601 0 . . . . . . . 32 ALA CB . 51093 1 123 . 1 . 1 32 32 ALA N N 15 121.008822 0.04992538446 . . . . . . . 32 ALA N . 51093 1 124 . 1 . 1 33 33 THR H H 1 8.141449585 0.01250520552 . . . . . . . 33 THR H . 51093 1 125 . 1 . 1 33 33 THR C C 13 176.0997233 0.01795901731 . . . . . . . 33 THR C . 51093 1 126 . 1 . 1 33 33 THR CA C 13 66.99457588 0 . . . . . . . 33 THR CA . 51093 1 127 . 1 . 1 33 33 THR CB C 13 67.98534614 0 . . . . . . . 33 THR CB . 51093 1 128 . 1 . 1 33 33 THR N N 15 116.9741946 0.04587123113 . . . . . . . 33 THR N . 51093 1 129 . 1 . 1 34 34 ALA H H 1 6.895416575 0.01688138358 . . . . . . . 34 ALA H . 51093 1 130 . 1 . 1 34 34 ALA C C 13 177.0839559 0.01533822305 . . . . . . . 34 ALA C . 51093 1 131 . 1 . 1 34 34 ALA CA C 13 54.96947445 0 . . . . . . . 34 ALA CA . 51093 1 132 . 1 . 1 34 34 ALA CB C 13 17.47193649 0 . . . . . . . 34 ALA CB . 51093 1 133 . 1 . 1 34 34 ALA N N 15 124.2852178 0.03622687693 . . . . . . . 34 ALA N . 51093 1 134 . 1 . 1 35 35 GLU H H 1 8.243062724 0.002052548622 . . . . . . . 35 GLU H . 51093 1 135 . 1 . 1 35 35 GLU C C 13 177.2839746 0.01592698924 . . . . . . . 35 GLU C . 51093 1 136 . 1 . 1 35 35 GLU CA C 13 59.75141998 0 . . . . . . . 35 GLU CA . 51093 1 137 . 1 . 1 35 35 GLU CB C 13 29.24462026 0 . . . . . . . 35 GLU CB . 51093 1 138 . 1 . 1 35 35 GLU N N 15 117.3404228 0.04842750567 . . . . . . . 35 GLU N . 51093 1 139 . 1 . 1 36 36 LYS H H 1 6.827599496 0.01975962581 . . . . . . . 36 LYS H . 51093 1 140 . 1 . 1 36 36 LYS C C 13 179.9485434 0.01667538755 . . . . . . . 36 LYS C . 51093 1 141 . 1 . 1 36 36 LYS CA C 13 59.77129328 0 . . . . . . . 36 LYS CA . 51093 1 142 . 1 . 1 36 36 LYS CB C 13 32.32362768 0 . . . . . . . 36 LYS CB . 51093 1 143 . 1 . 1 36 36 LYS N N 15 117.3034565 0.004887400089 . . . . . . . 36 LYS N . 51093 1 144 . 1 . 1 37 37 VAL H H 1 7.162294184 0.02392927284 . . . . . . . 37 VAL H . 51093 1 145 . 1 . 1 37 37 VAL C C 13 179.7093682 0.01559835496 . . . . . . . 37 VAL C . 51093 1 146 . 1 . 1 37 37 VAL CA C 13 66.07682533 0 . . . . . . . 37 VAL CA . 51093 1 147 . 1 . 1 37 37 VAL CB C 13 31.8047206 0 . . . . . . . 37 VAL CB . 51093 1 148 . 1 . 1 37 37 VAL N N 15 121.1745615 0.004235681536 . . . . . . . 37 VAL N . 51093 1 149 . 1 . 1 38 38 PHE H H 1 8.33648726 0.01110834602 . . . . . . . 38 PHE H . 51093 1 150 . 1 . 1 38 38 PHE C C 13 178.2767373 0.0077727684 . . . . . . . 38 PHE C . 51093 1 151 . 1 . 1 38 38 PHE CA C 13 56.67336302 0 . . . . . . . 38 PHE CA . 51093 1 152 . 1 . 1 38 38 PHE CB C 13 37.53249322 0 . . . . . . . 38 PHE CB . 51093 1 153 . 1 . 1 38 38 PHE N N 15 121.2914422 0.007729772779 . . . . . . . 38 PHE N . 51093 1 154 . 1 . 1 39 39 LYS H H 1 8.995257535 0.008237731798 . . . . . . . 39 LYS H . 51093 1 155 . 1 . 1 39 39 LYS C C 13 179.4708224 0.00698110627 . . . . . . . 39 LYS C . 51093 1 156 . 1 . 1 39 39 LYS CA C 13 59.91560162 0 . . . . . . . 39 LYS CA . 51093 1 157 . 1 . 1 39 39 LYS CB C 13 31.72309119 0 . . . . . . . 39 LYS CB . 51093 1 158 . 1 . 1 39 39 LYS N N 15 123.4147952 0.04403648363 . . . . . . . 39 LYS N . 51093 1 159 . 1 . 1 40 40 GLN H H 1 7.330952079 0.01551489641 . . . . . . . 40 GLN H . 51093 1 160 . 1 . 1 40 40 GLN C C 13 177.0081843 0.006195889264 . . . . . . . 40 GLN C . 51093 1 161 . 1 . 1 40 40 GLN CA C 13 58.8245858 0 . . . . . . . 40 GLN CA . 51093 1 162 . 1 . 1 40 40 GLN CB C 13 28.27681597 0 . . . . . . . 40 GLN CB . 51093 1 163 . 1 . 1 40 40 GLN N N 15 120.2877106 0.007092088807 . . . . . . . 40 GLN N . 51093 1 164 . 1 . 1 41 41 TYR H H 1 8.114331755 0.005484375971 . . . . . . . 41 TYR H . 51093 1 165 . 1 . 1 41 41 TYR C C 13 178.9308217 0.006277640129 . . . . . . . 41 TYR C . 51093 1 166 . 1 . 1 41 41 TYR CA C 13 61.91054767 0 . . . . . . . 41 TYR CA . 51093 1 167 . 1 . 1 41 41 TYR CB C 13 38.74337304 0 . . . . . . . 41 TYR CB . 51093 1 168 . 1 . 1 41 41 TYR N N 15 121.5109308 0.03058797894 . . . . . . . 41 TYR N . 51093 1 169 . 1 . 1 42 42 ALA H H 1 9.052897616 0.006808432856 . . . . . . . 42 ALA H . 51093 1 170 . 1 . 1 42 42 ALA C C 13 179.2905103 0.02075282298 . . . . . . . 42 ALA C . 51093 1 171 . 1 . 1 42 42 ALA CA C 13 56.36223737 0 . . . . . . . 42 ALA CA . 51093 1 172 . 1 . 1 42 42 ALA CB C 13 17.94911242 0 . . . . . . . 42 ALA CB . 51093 1 173 . 1 . 1 42 42 ALA N N 15 123.2793189 0.05186544121 . . . . . . . 42 ALA N . 51093 1 174 . 1 . 1 43 43 ASN H H 1 8.178481871 0 . . . . . . . 43 ASN H . 51093 1 175 . 1 . 1 43 43 ASN C C 13 179.3169165 0.01871025859 . . . . . . . 43 ASN C . 51093 1 176 . 1 . 1 43 43 ASN CA C 13 57.02472302 0 . . . . . . . 43 ASN CA . 51093 1 177 . 1 . 1 43 43 ASN CB C 13 38.94585375 0.0000004768371582 . . . . . . . 43 ASN CB . 51093 1 178 . 1 . 1 43 43 ASN N N 15 118.3447612 0.000001348699152 . . . . . . . 43 ASN N . 51093 1 179 . 1 . 1 44 44 ASP H H 1 8.8150824 0.000000168587394 . . . . . . . 44 ASP H . 51093 1 180 . 1 . 1 44 44 ASP C C 13 177.034451 0.002861483855 . . . . . . . 44 ASP C . 51093 1 181 . 1 . 1 44 44 ASP CA C 13 57.07629 0 . . . . . . . 44 ASP CA . 51093 1 182 . 1 . 1 44 44 ASP CB C 13 40.11160106 0 . . . . . . . 44 ASP CB . 51093 1 183 . 1 . 1 44 44 ASP N N 15 122.1627813 0.000002336015456 . . . . . . . 44 ASP N . 51093 1 184 . 1 . 1 45 45 ASN H H 1 7.26535329 0.00000008429369702 . . . . . . . 45 ASN H . 51093 1 185 . 1 . 1 45 45 ASN C C 13 173.9244168 0.006208206208 . . . . . . . 45 ASN C . 51093 1 186 . 1 . 1 45 45 ASN CA C 13 53.87619605 0.0000006743495762 . . . . . . . 45 ASN CA . 51093 1 187 . 1 . 1 45 45 ASN N N 15 115.9593014 0 . . . . . . . 45 ASN N . 51093 1 188 . 1 . 1 46 46 GLY H H 1 7.678220161 0.01689218224 . . . . . . . 46 GLY H . 51093 1 189 . 1 . 1 46 46 GLY C C 13 174.1123897 0.01174805746 . . . . . . . 46 GLY C . 51093 1 190 . 1 . 1 46 46 GLY CA C 13 46.9556652 0 . . . . . . . 46 GLY CA . 51093 1 191 . 1 . 1 46 46 GLY N N 15 108.8325118 0.02727973252 . . . . . . . 46 GLY N . 51093 1 192 . 1 . 1 47 47 VAL H H 1 8.005733093 0.009513959641 . . . . . . . 47 VAL H . 51093 1 193 . 1 . 1 47 47 VAL C C 13 173.6410626 0.01129598561 . . . . . . . 47 VAL C . 51093 1 194 . 1 . 1 47 47 VAL CA C 13 62.11048333 0 . . . . . . . 47 VAL CA . 51093 1 195 . 1 . 1 47 47 VAL CB C 13 33.30381722 0 . . . . . . . 47 VAL CB . 51093 1 196 . 1 . 1 47 47 VAL N N 15 121.4710725 0.01915489096 . . . . . . . 47 VAL N . 51093 1 197 . 1 . 1 48 48 ASP H H 1 8.331814816 0.003412161263 . . . . . . . 48 ASP H . 51093 1 198 . 1 . 1 48 48 ASP C C 13 174.5791856 0.0003988776318 . . . . . . . 48 ASP C . 51093 1 199 . 1 . 1 48 48 ASP CA C 13 52.55097462 0.0000009536743164 . . . . . . . 48 ASP CA . 51093 1 200 . 1 . 1 48 48 ASP CB C 13 43.37217261 0 . . . . . . . 48 ASP CB . 51093 1 201 . 1 . 1 48 48 ASP N N 15 127.9398507 0.03450058377 . . . . . . . 48 ASP N . 51093 1 202 . 1 . 1 49 49 GLY H H 1 7.860731933 0.01026696049 . . . . . . . 49 GLY H . 51093 1 203 . 1 . 1 49 49 GLY C C 13 171.7192056 0.0002288818359 . . . . . . . 49 GLY C . 51093 1 204 . 1 . 1 49 49 GLY CA C 13 45.65498082 0 . . . . . . . 49 GLY CA . 51093 1 205 . 1 . 1 49 49 GLY N N 15 108.2104054 0.02833889868 . . . . . . . 49 GLY N . 51093 1 206 . 1 . 1 50 50 GLU H H 1 7.91699755 0.00464754697 . . . . . . . 50 GLU H . 51093 1 207 . 1 . 1 50 50 GLU C C 13 176.894891 0 . . . . . . . 50 GLU C . 51093 1 208 . 1 . 1 50 50 GLU CA C 13 55.70614443 0 . . . . . . . 50 GLU CA . 51093 1 209 . 1 . 1 50 50 GLU CB C 13 31.60173578 0.0000004768371582 . . . . . . . 50 GLU CB . 51093 1 210 . 1 . 1 50 50 GLU N N 15 121.4422956 0.06978927964 . . . . . . . 50 GLU N . 51093 1 211 . 1 . 1 51 51 TRP H H 1 9.19331917 0.00578549337 . . . . . . . 51 TRP H . 51093 1 212 . 1 . 1 51 51 TRP C C 13 176.9429238 0.01180006817 . . . . . . . 51 TRP C . 51093 1 213 . 1 . 1 51 51 TRP CA C 13 57.83260297 0 . . . . . . . 51 TRP CA . 51093 1 214 . 1 . 1 51 51 TRP CB C 13 30.74816257 0.0000004768371582 . . . . . . . 51 TRP CB . 51093 1 215 . 1 . 1 51 51 TRP N N 15 128.8868874 0.03364269629 . . . . . . . 51 TRP N . 51093 1 216 . 1 . 1 52 52 THR H H 1 9.12484398 0.004357298432 . . . . . . . 52 THR H . 51093 1 217 . 1 . 1 52 52 THR C C 13 172.7404131 0.001898215361 . . . . . . . 52 THR C . 51093 1 218 . 1 . 1 52 52 THR CA C 13 60.56970295 0 . . . . . . . 52 THR CA . 51093 1 219 . 1 . 1 52 52 THR CB C 13 72.4330247 0 . . . . . . . 52 THR CB . 51093 1 220 . 1 . 1 52 52 THR N N 15 114.9404676 0.05194614404 . . . . . . . 52 THR N . 51093 1 221 . 1 . 1 53 53 TYR H H 1 8.465805687 0.000000168587394 . . . . . . . 53 TYR H . 51093 1 222 . 1 . 1 53 53 TYR C C 13 173.1073635 0.003358777039 . . . . . . . 53 TYR C . 51093 1 223 . 1 . 1 53 53 TYR CA C 13 57.01986021 0 . . . . . . . 53 TYR CA . 51093 1 224 . 1 . 1 53 53 TYR CB C 13 41.60728117 0 . . . . . . . 53 TYR CB . 51093 1 225 . 1 . 1 53 53 TYR N N 15 121.2778559 0.000001348699152 . . . . . . . 53 TYR N . 51093 1 226 . 1 . 1 54 54 ASP H H 1 7.504849739 0.01468009984 . . . . . . . 54 ASP H . 51093 1 227 . 1 . 1 54 54 ASP C C 13 174.5168542 0.0002288738885 . . . . . . . 54 ASP C . 51093 1 228 . 1 . 1 54 54 ASP CA C 13 51.8809832 0 . . . . . . . 54 ASP CA . 51093 1 229 . 1 . 1 54 54 ASP CB C 13 43.08522341 0 . . . . . . . 54 ASP CB . 51093 1 230 . 1 . 1 54 54 ASP N N 15 129.0712263 0.06425149521 . . . . . . . 54 ASP N . 51093 1 231 . 1 . 1 55 55 ASP H H 1 8.417103658 0.001416634811 . . . . . . . 55 ASP H . 51093 1 232 . 1 . 1 55 55 ASP C C 13 178.1006735 0.01246209519 . . . . . . . 55 ASP C . 51093 1 233 . 1 . 1 55 55 ASP CA C 13 56.34956448 0 . . . . . . . 55 ASP CA . 51093 1 234 . 1 . 1 55 55 ASP CB C 13 42.17922862 0 . . . . . . . 55 ASP CB . 51093 1 235 . 1 . 1 55 55 ASP N N 15 125.5128519 0.07022118783 . . . . . . . 55 ASP N . 51093 1 236 . 1 . 1 56 56 ALA H H 1 8.2029446 0.0007192945396 . . . . . . . 56 ALA H . 51093 1 237 . 1 . 1 56 56 ALA C C 13 179.8166655 0.0127356829 . . . . . . . 56 ALA C . 51093 1 238 . 1 . 1 56 56 ALA CA C 13 55.17523171 0 . . . . . . . 56 ALA CA . 51093 1 239 . 1 . 1 56 56 ALA CB C 13 18.40416082 0 . . . . . . . 56 ALA CB . 51093 1 240 . 1 . 1 56 56 ALA N N 15 120.7093392 0.03355821368 . . . . . . . 56 ALA N . 51093 1 241 . 1 . 1 57 57 THR H H 1 6.882321325 0.01418980056 . . . . . . . 57 THR H . 51093 1 242 . 1 . 1 57 57 THR C C 13 175.147234 0.009141921002 . . . . . . . 57 THR C . 51093 1 243 . 1 . 1 57 57 THR CA C 13 60.5299428 0 . . . . . . . 57 THR CA . 51093 1 244 . 1 . 1 57 57 THR CB C 13 70.2548598 0 . . . . . . . 57 THR CB . 51093 1 245 . 1 . 1 57 57 THR N N 15 103.9648793 0.03585160693 . . . . . . . 57 THR N . 51093 1 246 . 1 . 1 58 58 LYS H H 1 7.746629076 0.01422222835 . . . . . . . 58 LYS H . 51093 1 247 . 1 . 1 58 58 LYS C C 13 174.8761915 0.01032146693 . . . . . . . 58 LYS C . 51093 1 248 . 1 . 1 58 58 LYS CA C 13 57.30896465 0 . . . . . . . 58 LYS CA . 51093 1 249 . 1 . 1 58 58 LYS CB C 13 29.84115062 0 . . . . . . . 58 LYS CB . 51093 1 250 . 1 . 1 58 58 LYS N N 15 124.2649456 0.008517697724 . . . . . . . 58 LYS N . 51093 1 251 . 1 . 1 59 59 THR H H 1 7.25611136 0.0000001192092896 . . . . . . . 59 THR H . 51093 1 252 . 1 . 1 59 59 THR C C 13 174.7737775 0 . . . . . . . 59 THR C . 51093 1 253 . 1 . 1 59 59 THR CA C 13 62.3766713 0 . . . . . . . 59 THR CA . 51093 1 254 . 1 . 1 59 59 THR CB C 13 72.07690795 0 . . . . . . . 59 THR CB . 51093 1 255 . 1 . 1 59 59 THR N N 15 111.7437528 0 . . . . . . . 59 THR N . 51093 1 256 . 1 . 1 60 60 PHE H H 1 10.28988101 0.00172332748 . . . . . . . 60 PHE H . 51093 1 257 . 1 . 1 60 60 PHE C C 13 174.5893907 0.009305895144 . . . . . . . 60 PHE C . 51093 1 258 . 1 . 1 60 60 PHE CA C 13 57.25503609 0.0000009536743164 . . . . . . . 60 PHE CA . 51093 1 259 . 1 . 1 60 60 PHE CB C 13 42.77321606 0 . . . . . . . 60 PHE CB . 51093 1 260 . 1 . 1 60 60 PHE N N 15 131.5631377 0.01047658945 . . . . . . . 60 PHE N . 51093 1 261 . 1 . 1 61 61 THR H H 1 8.948962111 0.007215912006 . . . . . . . 61 THR H . 51093 1 262 . 1 . 1 61 61 THR C C 13 172.5805292 0.00817055282 . . . . . . . 61 THR C . 51093 1 263 . 1 . 1 61 61 THR CA C 13 61.58232821 0 . . . . . . . 61 THR CA . 51093 1 264 . 1 . 1 61 61 THR CB C 13 71.09121935 0 . . . . . . . 61 THR CB . 51093 1 265 . 1 . 1 61 61 THR N N 15 117.478975 0.04582045901 . . . . . . . 61 THR N . 51093 1 266 . 1 . 1 62 62 VAL H H 1 8.079981853 0.000000168587394 . . . . . . . 62 VAL H . 51093 1 267 . 1 . 1 62 62 VAL C C 13 173.231906 0.005965478848 . . . . . . . 62 VAL C . 51093 1 268 . 1 . 1 62 62 VAL CA C 13 58.11604519 0 . . . . . . . 62 VAL CA . 51093 1 269 . 1 . 1 62 62 VAL CB C 13 32.47962075 0.0000004768371582 . . . . . . . 62 VAL CB . 51093 1 270 . 1 . 1 62 62 VAL N N 15 123.7771382 0.000002336015456 . . . . . . . 62 VAL N . 51093 1 271 . 1 . 1 63 63 THR H H 1 8.21018247 0.0101394278 . . . . . . . 63 THR H . 51093 1 272 . 1 . 1 63 63 THR C C 13 174.4393189 0.01917382446 . . . . . . . 63 THR C . 51093 1 273 . 1 . 1 63 63 THR CA C 13 60.97490292 0 . . . . . . . 63 THR CA . 51093 1 274 . 1 . 1 63 63 THR CB C 13 70.56085533 0 . . . . . . . 63 THR CB . 51093 1 275 . 1 . 1 63 63 THR N N 15 124.0631091 0.02978198122 . . . . . . . 63 THR N . 51093 1 276 . 1 . 1 64 64 GLU H H 1 8.000431152 0.005350520363 . . . . . . . 64 GLU H . 51093 1 277 . 1 . 1 64 64 GLU C C 13 176.1199798 0.009959126779 . . . . . . . 64 GLU C . 51093 1 278 . 1 . 1 64 64 GLU CA C 13 56.49721613 0 . . . . . . . 64 GLU CA . 51093 1 279 . 1 . 1 64 64 GLU CB C 13 31.96979564 0 . . . . . . . 64 GLU CB . 51093 1 280 . 1 . 1 64 64 GLU N N 15 129.4524189 0.03404321177 . . . . . . . 64 GLU N . 51093 1 281 . 1 . 1 65 65 GLY H H 1 8.669498483 0.005030713122 . . . . . . . 65 GLY H . 51093 1 282 . 1 . 1 65 65 GLY C C 13 173.7411311 0.05009956053 . . . . . . . 65 GLY C . 51093 1 283 . 1 . 1 65 65 GLY CA C 13 45.36493217 0.0000006743495762 . . . . . . . 65 GLY CA . 51093 1 284 . 1 . 1 65 65 GLY N N 15 113.3447035 0.04766347833 . . . . . . . 65 GLY N . 51093 1 285 . 1 . 1 66 66 SER H H 1 8.106969723 0.003369828673 . . . . . . . 66 SER H . 51093 1 286 . 1 . 1 66 66 SER C C 13 173.0599015 0 . . . . . . . 66 SER C . 51093 1 287 . 1 . 1 66 66 SER CA C 13 56.47724799 0 . . . . . . . 66 SER CA . 51093 1 288 . 1 . 1 66 66 SER CB C 13 63.57955038 0 . . . . . . . 66 SER CB . 51093 1 289 . 1 . 1 66 66 SER N N 15 117.4109617 0.02158462463 . . . . . . . 66 SER N . 51093 1 290 . 1 . 1 69 69 GLY H H 1 8.502888867 0.00136912386 . . . . . . . 69 GLY H . 51093 1 291 . 1 . 1 69 69 GLY C C 13 174.5244974 0.01271562401 . . . . . . . 69 GLY C . 51093 1 292 . 1 . 1 69 69 GLY CA C 13 45.61988651 0 . . . . . . . 69 GLY CA . 51093 1 293 . 1 . 1 69 69 GLY N N 15 112.0064287 0.0387242743 . . . . . . . 69 GLY N . 51093 1 294 . 1 . 1 70 70 SER H H 1 8.12751955 0.001373359409 . . . . . . . 70 SER H . 51093 1 295 . 1 . 1 70 70 SER C C 13 174.7722542 0.002038597025 . . . . . . . 70 SER C . 51093 1 296 . 1 . 1 70 70 SER CA C 13 58.7259603 0 . . . . . . . 70 SER CA . 51093 1 297 . 1 . 1 70 70 SER CB C 13 63.86814518 0 . . . . . . . 70 SER CB . 51093 1 298 . 1 . 1 70 70 SER N N 15 116.2763941 0.04447640019 . . . . . . . 70 SER N . 51093 1 299 . 1 . 1 71 71 GLU H H 1 8.500054417 0.00225115965 . . . . . . . 71 GLU H . 51093 1 300 . 1 . 1 71 71 GLU C C 13 176.2675781 0.008002331367 . . . . . . . 71 GLU C . 51093 1 301 . 1 . 1 71 71 GLU CA C 13 57.22862926 0.0000006743495762 . . . . . . . 71 GLU CA . 51093 1 302 . 1 . 1 71 71 GLU CB C 13 29.9749571 0.0000003371747881 . . . . . . . 71 GLU CB . 51093 1 303 . 1 . 1 71 71 GLU N N 15 122.9691325 0.03687791836 . . . . . . . 71 GLU N . 51093 1 304 . 1 . 1 72 72 ASN H H 1 8.217003304 0.0009113197931 . . . . . . . 72 ASN H . 51093 1 305 . 1 . 1 72 72 ASN C C 13 175.103986 0.008595394821 . . . . . . . 72 ASN C . 51093 1 306 . 1 . 1 72 72 ASN CA C 13 53.47457388 0 . . . . . . . 72 ASN CA . 51093 1 307 . 1 . 1 72 72 ASN CB C 13 38.86854497 0 . . . . . . . 72 ASN CB . 51093 1 308 . 1 . 1 72 72 ASN N N 15 119.4878873 0.01782721916 . . . . . . . 72 ASN N . 51093 1 309 . 1 . 1 73 73 LEU H H 1 7.937598353 0.003956900451 . . . . . . . 73 LEU H . 51093 1 310 . 1 . 1 73 73 LEU C C 13 177.064987 0.01376674933 . . . . . . . 73 LEU C . 51093 1 311 . 1 . 1 73 73 LEU CA C 13 55.69650845 0 . . . . . . . 73 LEU CA . 51093 1 312 . 1 . 1 73 73 LEU CB C 13 42.32084398 0 . . . . . . . 73 LEU CB . 51093 1 313 . 1 . 1 73 73 LEU N N 15 122.592556 0.02443949749 . . . . . . . 73 LEU N . 51093 1 314 . 1 . 1 74 74 TYR H H 1 7.931093897 0.003721961659 . . . . . . . 74 TYR H . 51093 1 315 . 1 . 1 74 74 TYR C C 13 175.6887601 0.009525948901 . . . . . . . 74 TYR C . 51093 1 316 . 1 . 1 74 74 TYR CA C 13 58.04366492 0 . . . . . . . 74 TYR CA . 51093 1 317 . 1 . 1 74 74 TYR CB C 13 38.7092626 0.0000004768371582 . . . . . . . 74 TYR CB . 51093 1 318 . 1 . 1 74 74 TYR N N 15 120.0785487 0.01633528462 . . . . . . . 74 TYR N . 51093 1 319 . 1 . 1 75 75 PHE H H 1 7.935010268 0.004837048272 . . . . . . . 75 PHE H . 51093 1 320 . 1 . 1 75 75 PHE C C 13 175.5604126 0.00766022105 . . . . . . . 75 PHE C . 51093 1 321 . 1 . 1 75 75 PHE CB C 13 39.61360241 0 . . . . . . . 75 PHE CB . 51093 1 322 . 1 . 1 75 75 PHE N N 15 121.7300727 0.05227628387 . . . . . . . 75 PHE N . 51093 1 323 . 1 . 1 76 76 GLN H H 1 8.126486519 0.002247742293 . . . . . . . 76 GLN H . 51093 1 324 . 1 . 1 76 76 GLN C C 13 176.1895565 0.01259091759 . . . . . . . 76 GLN C . 51093 1 325 . 1 . 1 76 76 GLN N N 15 122.379324 0.02318867719 . . . . . . . 76 GLN N . 51093 1 326 . 1 . 1 77 77 GLY H H 1 7.756978044 0.007733645075 . . . . . . . 77 GLY H . 51093 1 327 . 1 . 1 77 77 GLY C C 13 174.0186004 0 . . . . . . . 77 GLY C . 51093 1 328 . 1 . 1 77 77 GLY CA C 13 45.57463096 0 . . . . . . . 77 GLY CA . 51093 1 329 . 1 . 1 77 77 GLY N N 15 109.2563718 0.0487057643 . . . . . . . 77 GLY N . 51093 1 330 . 1 . 1 80 80 ALA H H 1 8.193892923 0.003869991208 . . . . . . . 80 ALA H . 51093 1 331 . 1 . 1 80 80 ALA C C 13 177.9616673 0 . . . . . . . 80 ALA C . 51093 1 332 . 1 . 1 80 80 ALA CA C 13 52.99214746 0 . . . . . . . 80 ALA CA . 51093 1 333 . 1 . 1 80 80 ALA CB C 13 19.25656263 0 . . . . . . . 80 ALA CB . 51093 1 334 . 1 . 1 80 80 ALA N N 15 125.4712572 0.05039925691 . . . . . . . 80 ALA N . 51093 1 335 . 1 . 1 84 84 VAL H H 1 7.926032625 0.001807294489 . . . . . . . 84 VAL H . 51093 1 336 . 1 . 1 84 84 VAL C C 13 176.57911 0.009763698649 . . . . . . . 84 VAL C . 51093 1 337 . 1 . 1 84 84 VAL CA C 13 63.08731393 0 . . . . . . . 84 VAL CA . 51093 1 338 . 1 . 1 84 84 VAL CB C 13 32.57862787 0 . . . . . . . 84 VAL CB . 51093 1 339 . 1 . 1 84 84 VAL N N 15 122.0166499 0.06247868338 . . . . . . . 84 VAL N . 51093 1 340 . 1 . 1 85 85 LEU H H 1 8.133623402 0.003250272875 . . . . . . . 85 LEU H . 51093 1 341 . 1 . 1 85 85 LEU C C 13 177.5289903 0.01169774102 . . . . . . . 85 LEU C . 51093 1 342 . 1 . 1 85 85 LEU CA C 13 55.67125647 0 . . . . . . . 85 LEU CA . 51093 1 343 . 1 . 1 85 85 LEU CB C 13 42.28401757 0 . . . . . . . 85 LEU CB . 51093 1 344 . 1 . 1 85 85 LEU N N 15 125.9414614 0.05307606379 . . . . . . . 85 LEU N . 51093 1 345 . 1 . 1 86 86 ALA H H 1 8.184761406 0.0000002064765462 . . . . . . . 86 ALA H . 51093 1 346 . 1 . 1 86 86 ALA C C 13 178.9437537 0.000001907348633 . . . . . . . 86 ALA C . 51093 1 347 . 1 . 1 86 86 ALA CA C 13 53.33131188 0 . . . . . . . 86 ALA CA . 51093 1 348 . 1 . 1 86 86 ALA CB C 13 19.05325865 0.0000002384185791 . . . . . . . 86 ALA CB . 51093 1 349 . 1 . 1 86 86 ALA N N 15 124.8741199 0.000003015782986 . . . . . . . 86 ALA N . 51093 1 350 . 1 . 1 87 87 SER H H 1 8.026108896 0.0000002064765462 . . . . . . . 87 SER H . 51093 1 351 . 1 . 1 87 87 SER C C 13 175.3584404 0 . . . . . . . 87 SER C . 51093 1 352 . 1 . 1 87 87 SER CA C 13 59.40550641 0 . . . . . . . 87 SER CA . 51093 1 353 . 1 . 1 87 87 SER CB C 13 63.46363722 0 . . . . . . . 87 SER CB . 51093 1 354 . 1 . 1 87 87 SER N N 15 114.5936917 0.000002336015456 . . . . . . . 87 SER N . 51093 1 355 . 1 . 1 89 89 LEU H H 1 7.998464913 0.001473996507 . . . . . . . 89 LEU H . 51093 1 356 . 1 . 1 89 89 LEU C C 13 177.9479073 0.01461751115 . . . . . . . 89 LEU C . 51093 1 357 . 1 . 1 89 89 LEU CA C 13 55.86904733 0 . . . . . . . 89 LEU CA . 51093 1 358 . 1 . 1 89 89 LEU CB C 13 42.22182245 0 . . . . . . . 89 LEU CB . 51093 1 359 . 1 . 1 89 89 LEU N N 15 122.5049226 0.03232666323 . . . . . . . 89 LEU N . 51093 1 360 . 1 . 1 90 90 ALA H H 1 8.116791148 0 . . . . . . . 90 ALA H . 51093 1 361 . 1 . 1 90 90 ALA C C 13 178.5817494 0 . . . . . . . 90 ALA C . 51093 1 362 . 1 . 1 90 90 ALA CA C 13 53.64996663 0 . . . . . . . 90 ALA CA . 51093 1 363 . 1 . 1 90 90 ALA CB C 13 18.84165115 0 . . . . . . . 90 ALA CB . 51093 1 364 . 1 . 1 90 90 ALA N N 15 124.3588873 0.000002336015456 . . . . . . . 90 ALA N . 51093 1 365 . 1 . 1 91 91 SER H H 1 8.062669276 0.002080106272 . . . . . . . 91 SER H . 51093 1 366 . 1 . 1 91 91 SER C C 13 175.3391095 0.04594102349 . . . . . . . 91 SER C . 51093 1 367 . 1 . 1 91 91 SER CA C 13 59.11207277 0 . . . . . . . 91 SER CA . 51093 1 368 . 1 . 1 91 91 SER CB C 13 63.60109932 0 . . . . . . . 91 SER CB . 51093 1 369 . 1 . 1 91 91 SER N N 15 115.1642156 0.003118447353 . . . . . . . 91 SER N . 51093 1 370 . 1 . 1 92 92 GLN H H 1 8.063259259 0.000000168587394 . . . . . . . 92 GLN H . 51093 1 371 . 1 . 1 92 92 GLN C C 13 176.7644927 0.01456405405 . . . . . . . 92 GLN C . 51093 1 372 . 1 . 1 92 92 GLN CA C 13 56.69308312 0 . . . . . . . 92 GLN CA . 51093 1 373 . 1 . 1 92 92 GLN CB C 13 29.20580049 0.0000003371747881 . . . . . . . 92 GLN CB . 51093 1 374 . 1 . 1 92 92 GLN N N 15 122.4011786 0.000003015782986 . . . . . . . 92 GLN N . 51093 1 375 . 1 . 1 93 93 MET H H 1 8.094399371 0.0006014145874 . . . . . . . 93 MET H . 51093 1 376 . 1 . 1 93 93 MET C C 13 176.6608655 0 . . . . . . . 93 MET C . 51093 1 377 . 1 . 1 93 93 MET CA C 13 56.21864187 0 . . . . . . . 93 MET CA . 51093 1 378 . 1 . 1 93 93 MET CB C 13 32.88956802 0 . . . . . . . 93 MET CB . 51093 1 379 . 1 . 1 93 93 MET N N 15 120.9831953 0.02783867383 . . . . . . . 93 MET N . 51093 1 380 . 1 . 1 94 94 ALA H H 1 8.041868434 0.00241051513 . . . . . . . 94 ALA H . 51093 1 381 . 1 . 1 94 94 ALA C C 13 178.0539802 0.0004887429677 . . . . . . . 94 ALA C . 51093 1 382 . 1 . 1 94 94 ALA CA C 13 53.04464181 0 . . . . . . . 94 ALA CA . 51093 1 383 . 1 . 1 94 94 ALA CB C 13 19.01928005 0 . . . . . . . 94 ALA CB . 51093 1 384 . 1 . 1 94 94 ALA N N 15 124.9719302 0.05671186964 . . . . . . . 94 ALA N . 51093 1 385 . 1 . 1 95 95 ALA H H 1 8.048374146 0.003041353764 . . . . . . . 95 ALA H . 51093 1 386 . 1 . 1 95 95 ALA C C 13 178.3585286 0.007414192161 . . . . . . . 95 ALA C . 51093 1 387 . 1 . 1 95 95 ALA CA C 13 53.11570419 0 . . . . . . . 95 ALA CA . 51093 1 388 . 1 . 1 95 95 ALA CB C 13 19.07408432 0 . . . . . . . 95 ALA CB . 51093 1 389 . 1 . 1 95 95 ALA N N 15 123.2044031 0.05893731609 . . . . . . . 95 ALA N . 51093 1 390 . 1 . 1 96 96 SER H H 1 7.98077265 0.00119742301 . . . . . . . 96 SER H . 51093 1 391 . 1 . 1 96 96 SER C C 13 174.5055119 0.009257303965 . . . . . . . 96 SER C . 51093 1 392 . 1 . 1 96 96 SER CA C 13 58.6629231 0 . . . . . . . 96 SER CA . 51093 1 393 . 1 . 1 96 96 SER CB C 13 63.78766713 0 . . . . . . . 96 SER CB . 51093 1 394 . 1 . 1 96 96 SER N N 15 114.6948229 0.01620849471 . . . . . . . 96 SER N . 51093 1 395 . 1 . 1 97 97 ALA H H 1 7.977902715 0.005376989201 . . . . . . . 97 ALA H . 51093 1 396 . 1 . 1 97 97 ALA C C 13 177.6868221 0.006824470752 . . . . . . . 97 ALA C . 51093 1 397 . 1 . 1 97 97 ALA CA C 13 52.76843555 0 . . . . . . . 97 ALA CA . 51093 1 398 . 1 . 1 97 97 ALA CB C 13 19.30055923 0.0000002384185791 . . . . . . . 97 ALA CB . 51093 1 399 . 1 . 1 97 97 ALA N N 15 125.9440831 0.0347563922 . . . . . . . 97 ALA N . 51093 1 400 . 1 . 1 98 98 LYS H H 1 7.991978323 0.003824802986 . . . . . . . 98 LYS H . 51093 1 401 . 1 . 1 98 98 LYS C C 13 176.4950044 0.01160178746 . . . . . . . 98 LYS C . 51093 1 402 . 1 . 1 98 98 LYS CA C 13 56.44557474 0 . . . . . . . 98 LYS CA . 51093 1 403 . 1 . 1 98 98 LYS CB C 13 32.98019399 0.0000006743495762 . . . . . . . 98 LYS CB . 51093 1 404 . 1 . 1 98 98 LYS N N 15 120.6005482 0.01635438759 . . . . . . . 98 LYS N . 51093 1 405 . 1 . 1 99 99 VAL H H 1 7.807086372 0.0000001884864366 . . . . . . . 99 VAL H . 51093 1 406 . 1 . 1 99 99 VAL C C 13 175.5780177 0.01062712527 . . . . . . . 99 VAL C . 51093 1 407 . 1 . 1 99 99 VAL CA C 13 61.98994394 0 . . . . . . . 99 VAL CA . 51093 1 408 . 1 . 1 99 99 VAL CB C 13 32.98658231 0 . . . . . . . 99 VAL CB . 51093 1 409 . 1 . 1 99 99 VAL N N 15 121.2960686 0.000002697398305 . . . . . . . 99 VAL N . 51093 1 410 . 1 . 1 100 100 ALA H H 1 8.216579767 0.004933125626 . . . . . . . 100 ALA H . 51093 1 411 . 1 . 1 100 100 ALA C C 13 177.1833631 0.009015608661 . . . . . . . 100 ALA C . 51093 1 412 . 1 . 1 100 100 ALA CA C 13 52.35955148 0.0000009536743164 . . . . . . . 100 ALA CA . 51093 1 413 . 1 . 1 100 100 ALA CB C 13 19.34245245 0.0000002384185791 . . . . . . . 100 ALA CB . 51093 1 414 . 1 . 1 100 100 ALA N N 15 128.8233072 0.03232456163 . . . . . . . 100 ALA N . 51093 1 415 . 1 . 1 101 101 ARG H H 1 8.152407199 0.008667462258 . . . . . . . 101 ARG H . 51093 1 416 . 1 . 1 101 101 ARG C C 13 174.04531 0.0002288818359 . . . . . . . 101 ARG C . 51093 1 417 . 1 . 1 101 101 ARG CA C 13 53.81069931 0 . . . . . . . 101 ARG CA . 51093 1 418 . 1 . 1 101 101 ARG CB C 13 30.30783806 0 . . . . . . . 101 ARG CB . 51093 1 419 . 1 . 1 101 101 ARG N N 15 122.2512807 0.02631147463 . . . . . . . 101 ARG N . 51093 1 420 . 1 . 1 103 103 ALA H H 1 8.277661722 0.006179623293 . . . . . . . 103 ALA H . 51093 1 421 . 1 . 1 103 103 ALA C C 13 177.6891862 0.008501573435 . . . . . . . 103 ALA C . 51093 1 422 . 1 . 1 103 103 ALA CA C 13 52.40195772 0 . . . . . . . 103 ALA CA . 51093 1 423 . 1 . 1 103 103 ALA CB C 13 19.27092801 0 . . . . . . . 103 ALA CB . 51093 1 424 . 1 . 1 103 103 ALA N N 15 125.2080335 0.01418578105 . . . . . . . 103 ALA N . 51093 1 425 . 1 . 1 104 104 VAL H H 1 7.965256766 0.007688668355 . . . . . . . 104 VAL H . 51093 1 426 . 1 . 1 104 104 VAL C C 13 175.9372437 0.008099995178 . . . . . . . 104 VAL C . 51093 1 427 . 1 . 1 104 104 VAL CA C 13 62.25205596 0 . . . . . . . 104 VAL CA . 51093 1 428 . 1 . 1 104 104 VAL CB C 13 32.9276784 0 . . . . . . . 104 VAL CB . 51093 1 429 . 1 . 1 104 104 VAL N N 15 120.406168 0.05390943497 . . . . . . . 104 VAL N . 51093 1 430 . 1 . 1 105 105 ARG H H 1 8.285258703 0.005678774009 . . . . . . . 105 ARG H . 51093 1 431 . 1 . 1 105 105 ARG C C 13 175.9726925 0.01394735004 . . . . . . . 105 ARG C . 51093 1 432 . 1 . 1 105 105 ARG CA C 13 55.94940553 0 . . . . . . . 105 ARG CA . 51093 1 433 . 1 . 1 105 105 ARG CB C 13 30.97856318 0 . . . . . . . 105 ARG CB . 51093 1 434 . 1 . 1 105 105 ARG N N 15 126.0838909 0.05792171785 . . . . . . . 105 ARG N . 51093 1 435 . 1 . 1 106 106 VAL H H 1 8.085107514 0.01012009593 . . . . . . . 106 VAL H . 51093 1 436 . 1 . 1 106 106 VAL C C 13 175.7109377 0.0001734324329 . . . . . . . 106 VAL C . 51093 1 437 . 1 . 1 106 106 VAL CA C 13 62.14955251 0 . . . . . . . 106 VAL CA . 51093 1 438 . 1 . 1 106 106 VAL CB C 13 32.955046 0 . . . . . . . 106 VAL CB . 51093 1 439 . 1 . 1 106 106 VAL N N 15 122.9298246 0.06307459417 . . . . . . . 106 VAL N . 51093 1 440 . 1 . 1 107 107 ALA H H 1 8.280785347 0.006815432958 . . . . . . . 107 ALA H . 51093 1 441 . 1 . 1 107 107 ALA C C 13 177.4280371 0.008504879317 . . . . . . . 107 ALA C . 51093 1 442 . 1 . 1 107 107 ALA CA C 13 52.4898467 0 . . . . . . . 107 ALA CA . 51093 1 443 . 1 . 1 107 107 ALA CB C 13 19.35346437 0 . . . . . . . 107 ALA CB . 51093 1 444 . 1 . 1 107 107 ALA N N 15 128.6719513 0.05293162083 . . . . . . . 107 ALA N . 51093 1 445 . 1 . 1 108 108 GLN H H 1 8.236171706 0.007493530235 . . . . . . . 108 GLN H . 51093 1 446 . 1 . 1 108 108 GLN C C 13 175.9491536 0.002698198639 . . . . . . . 108 GLN C . 51093 1 447 . 1 . 1 108 108 GLN CA C 13 55.75553535 0 . . . . . . . 108 GLN CA . 51093 1 448 . 1 . 1 108 108 GLN CB C 13 29.65630154 0 . . . . . . . 108 GLN CB . 51093 1 449 . 1 . 1 108 108 GLN N N 15 120.9480935 0.04127578369 . . . . . . . 108 GLN N . 51093 1 450 . 1 . 1 109 109 VAL H H 1 8.108139881 0 . . . . . . . 109 VAL H . 51093 1 451 . 1 . 1 109 109 VAL C C 13 176.1015094 0 . . . . . . . 109 VAL C . 51093 1 452 . 1 . 1 109 109 VAL CA C 13 62.36672162 0 . . . . . . . 109 VAL CA . 51093 1 453 . 1 . 1 109 109 VAL CB C 13 32.93074657 0 . . . . . . . 109 VAL CB . 51093 1 454 . 1 . 1 109 109 VAL N N 15 122.3267108 0 . . . . . . . 109 VAL N . 51093 1 455 . 1 . 1 113 113 THR H H 1 8.121581772 0.006680287489 . . . . . . . 113 THR H . 51093 1 456 . 1 . 1 113 113 THR C C 13 174.334885 0.001749161411 . . . . . . . 113 THR C . 51093 1 457 . 1 . 1 113 113 THR CA C 13 62.03016361 0 . . . . . . . 113 THR CA . 51093 1 458 . 1 . 1 113 113 THR CB C 13 69.92883047 0 . . . . . . . 113 THR CB . 51093 1 459 . 1 . 1 113 113 THR N N 15 117.2899978 0.03687048451 . . . . . . . 113 THR N . 51093 1 460 . 1 . 1 114 114 ILE H H 1 8.095100941 0.0000001192092896 . . . . . . . 114 ILE H . 51093 1 461 . 1 . 1 114 114 ILE C C 13 175.9925608 0.01056058582 . . . . . . . 114 ILE C . 51093 1 462 . 1 . 1 114 114 ILE CA C 13 61.1297185 0 . . . . . . . 114 ILE CA . 51093 1 463 . 1 . 1 114 114 ILE CB C 13 38.85751455 0 . . . . . . . 114 ILE CB . 51093 1 464 . 1 . 1 114 114 ILE N N 15 124.246825 0.000002697398305 . . . . . . . 114 ILE N . 51093 1 465 . 1 . 1 115 115 GLN H H 1 8.402269595 0.00614983791 . . . . . . . 115 GLN H . 51093 1 466 . 1 . 1 115 115 GLN C C 13 175.9713448 0.007603429719 . . . . . . . 115 GLN C . 51093 1 467 . 1 . 1 115 115 GLN CA C 13 55.79951736 0 . . . . . . . 115 GLN CA . 51093 1 468 . 1 . 1 115 115 GLN CB C 13 29.52008049 0 . . . . . . . 115 GLN CB . 51093 1 469 . 1 . 1 115 115 GLN N N 15 125.5842175 0.0453775796 . . . . . . . 115 GLN N . 51093 1 470 . 1 . 1 116 116 THR H H 1 8.129467558 0.008082413242 . . . . . . . 116 THR H . 51093 1 471 . 1 . 1 116 116 THR C C 13 174.9493726 0 . . . . . . . 116 THR C . 51093 1 472 . 1 . 1 116 116 THR CA C 13 61.92675731 0 . . . . . . . 116 THR CA . 51093 1 473 . 1 . 1 116 116 THR CB C 13 69.01784912 0 . . . . . . . 116 THR CB . 51093 1 474 . 1 . 1 116 116 THR N N 15 116.4676226 0.03004019022 . . . . . . . 116 THR N . 51093 1 475 . 1 . 1 117 117 GLY H H 1 8.305183004 0.003808869291 . . . . . . . 117 GLY H . 51093 1 476 . 1 . 1 117 117 GLY C C 13 173.7299985 0 . . . . . . . 117 GLY C . 51093 1 477 . 1 . 1 117 117 GLY CA C 13 45.03946409 0 . . . . . . . 117 GLY CA . 51093 1 478 . 1 . 1 117 117 GLY N N 15 111.7805043 0.03450786633 . . . . . . . 117 GLY N . 51093 1 479 . 1 . 1 120 120 LEU H H 1 8.105792115 0.005594032559 . . . . . . . 120 LEU H . 51093 1 480 . 1 . 1 120 120 LEU C C 13 177.6361611 0.009330890456 . . . . . . . 120 LEU C . 51093 1 481 . 1 . 1 120 120 LEU CA C 13 55.66722533 0 . . . . . . . 120 LEU CA . 51093 1 482 . 1 . 1 120 120 LEU CB C 13 42.20737369 0 . . . . . . . 120 LEU CB . 51093 1 483 . 1 . 1 120 120 LEU N N 15 121.9576198 0.05167979071 . . . . . . . 120 LEU N . 51093 1 484 . 1 . 1 121 121 GLN H H 1 8.158027025 0.0000001192092896 . . . . . . . 121 GLN H . 51093 1 485 . 1 . 1 121 121 GLN C C 13 176.184327 0.009131228741 . . . . . . . 121 GLN C . 51093 1 486 . 1 . 1 121 121 GLN CA C 13 56.09315943 0 . . . . . . . 121 GLN CA . 51093 1 487 . 1 . 1 121 121 GLN CB C 13 29.53249492 0.0000003371747881 . . . . . . . 121 GLN CB . 51093 1 488 . 1 . 1 121 121 GLN N N 15 121.2689759 0.000002336015456 . . . . . . . 121 GLN N . 51093 1 489 . 1 . 1 122 122 THR H H 1 7.974838633 0.0000001884864366 . . . . . . . 122 THR H . 51093 1 490 . 1 . 1 122 122 THR C C 13 174.4978122 0.002835041329 . . . . . . . 122 THR C . 51093 1 491 . 1 . 1 122 122 THR CA C 13 62.27772793 0 . . . . . . . 122 THR CA . 51093 1 492 . 1 . 1 122 122 THR CB C 13 69.75884702 0 . . . . . . . 122 THR CB . 51093 1 493 . 1 . 1 122 122 THR N N 15 115.8914109 0.000001348699152 . . . . . . . 122 THR N . 51093 1 494 . 1 . 1 123 123 LEU H H 1 8.037627176 0.0000002384185791 . . . . . . . 123 LEU H . 51093 1 495 . 1 . 1 123 123 LEU C C 13 177.2314811 0.004804970098 . . . . . . . 123 LEU C . 51093 1 496 . 1 . 1 123 123 LEU CA C 13 55.49587037 0 . . . . . . . 123 LEU CA . 51093 1 497 . 1 . 1 123 123 LEU CB C 13 42.44496533 0 . . . . . . . 123 LEU CB . 51093 1 498 . 1 . 1 123 123 LEU N N 15 125.1042978 0 . . . . . . . 123 LEU N . 51093 1 499 . 1 . 1 124 124 LYS H H 1 8.148861623 0.009295164978 . . . . . . . 124 LYS H . 51093 1 500 . 1 . 1 124 124 LYS C C 13 176.6201392 0 . . . . . . . 124 LYS C . 51093 1 501 . 1 . 1 124 124 LYS CA C 13 56.43755559 0 . . . . . . . 124 LYS CA . 51093 1 502 . 1 . 1 124 124 LYS CB C 13 30.9475688 0 . . . . . . . 124 LYS CB . 51093 1 503 . 1 . 1 124 124 LYS N N 15 122.9397438 0.04335741839 . . . . . . . 124 LYS N . 51093 1 504 . 1 . 1 131 131 ILE H H 1 8.044835783 0.004707961243 . . . . . . . 131 ILE H . 51093 1 505 . 1 . 1 131 131 ILE C C 13 176.2935644 0.01143798681 . . . . . . . 131 ILE C . 51093 1 506 . 1 . 1 131 131 ILE CA C 13 61.4188271 0 . . . . . . . 131 ILE CA . 51093 1 507 . 1 . 1 131 131 ILE CB C 13 38.6582709 0 . . . . . . . 131 ILE CB . 51093 1 508 . 1 . 1 131 131 ILE N N 15 123.4808579 0.03920878587 . . . . . . . 131 ILE N . 51093 1 509 . 1 . 1 132 132 VAL H H 1 8.031551889 0.000000168587394 . . . . . . . 132 VAL H . 51093 1 510 . 1 . 1 132 132 VAL C C 13 175.8216486 0.0002288818359 . . . . . . . 132 VAL C . 51093 1 511 . 1 . 1 132 132 VAL CA C 13 62.59187487 0 . . . . . . . 132 VAL CA . 51093 1 512 . 1 . 1 132 132 VAL CB C 13 32.74472191 0 . . . . . . . 132 VAL CB . 51093 1 513 . 1 . 1 132 132 VAL N N 15 124.643279 0.000002336015456 . . . . . . . 132 VAL N . 51093 1 514 . 1 . 1 133 133 ASN H H 1 8.327091051 0.00666527664 . . . . . . . 133 ASN H . 51093 1 515 . 1 . 1 133 133 ASN C C 13 174.9889701 0.01905186018 . . . . . . . 133 ASN C . 51093 1 516 . 1 . 1 133 133 ASN CA C 13 53.23927058 0.0000006743495762 . . . . . . . 133 ASN CA . 51093 1 517 . 1 . 1 133 133 ASN CB C 13 39.0069921 0.0000004768371582 . . . . . . . 133 ASN CB . 51093 1 518 . 1 . 1 133 133 ASN N N 15 123.1717462 0.02807964221 . . . . . . . 133 ASN N . 51093 1 519 . 1 . 1 134 134 ALA H H 1 8.214597981 0.03302625291 . . . . . . . 134 ALA H . 51093 1 520 . 1 . 1 134 134 ALA C C 13 178.1934012 0.03572900667 . . . . . . . 134 ALA C . 51093 1 521 . 1 . 1 134 134 ALA CA C 13 53.26754099 0 . . . . . . . 134 ALA CA . 51093 1 522 . 1 . 1 134 134 ALA CB C 13 19.28564548 0.0000002384185791 . . . . . . . 134 ALA CB . 51093 1 523 . 1 . 1 134 134 ALA N N 15 125.0039424 0.02887293416 . . . . . . . 134 ALA N . 51093 1 524 . 1 . 1 135 135 THR H H 1 8.076137976 0.002091406679 . . . . . . . 135 THR H . 51093 1 525 . 1 . 1 135 135 THR C C 13 175.1305023 0.009861767515 . . . . . . . 135 THR C . 51093 1 526 . 1 . 1 135 135 THR CA C 13 62.55787797 0 . . . . . . . 135 THR CA . 51093 1 527 . 1 . 1 135 135 THR CB C 13 69.61959011 0 . . . . . . . 135 THR CB . 51093 1 528 . 1 . 1 135 135 THR N N 15 113.215251 0.02835067019 . . . . . . . 135 THR N . 51093 1 529 . 1 . 1 136 136 THR H H 1 7.91054753 0.001283529656 . . . . . . . 136 THR H . 51093 1 530 . 1 . 1 136 136 THR C C 13 174.7157932 0.005225629156 . . . . . . . 136 THR C . 51093 1 531 . 1 . 1 136 136 THR CA C 13 62.31869492 0 . . . . . . . 136 THR CA . 51093 1 532 . 1 . 1 136 136 THR CB C 13 69.71152431 0 . . . . . . . 136 THR CB . 51093 1 533 . 1 . 1 136 136 THR N N 15 116.7556947 0.04277777057 . . . . . . . 136 THR N . 51093 1 534 . 1 . 1 137 137 ARG H H 1 8.157050401 0.002902006093 . . . . . . . 137 ARG H . 51093 1 535 . 1 . 1 137 137 ARG C C 13 176.4482782 0.01350751632 . . . . . . . 137 ARG C . 51093 1 536 . 1 . 1 137 137 ARG CA C 13 56.62069133 0 . . . . . . . 137 ARG CA . 51093 1 537 . 1 . 1 137 137 ARG CB C 13 30.59949375 0 . . . . . . . 137 ARG CB . 51093 1 538 . 1 . 1 137 137 ARG N N 15 123.5952826 0.04499670538 . . . . . . . 137 ARG N . 51093 1 539 . 1 . 1 138 138 GLN H H 1 8.185677433 0.001749918939 . . . . . . . 138 GLN H . 51093 1 540 . 1 . 1 138 138 GLN C C 13 175.8814527 0.008931960912 . . . . . . . 138 GLN C . 51093 1 541 . 1 . 1 138 138 GLN CA C 13 56.33752315 0 . . . . . . . 138 GLN CA . 51093 1 542 . 1 . 1 138 138 GLN CB C 13 29.44148357 0 . . . . . . . 138 GLN CB . 51093 1 543 . 1 . 1 138 138 GLN N N 15 121.8112417 0.01854730775 . . . . . . . 138 GLN N . 51093 1 544 . 1 . 1 139 139 ALA H H 1 8.115376464 0.000000168587394 . . . . . . . 139 ALA H . 51093 1 545 . 1 . 1 139 139 ALA C C 13 177.6052169 0.01507110975 . . . . . . . 139 ALA C . 51093 1 546 . 1 . 1 139 139 ALA CA C 13 52.87268881 0.0000006743495762 . . . . . . . 139 ALA CA . 51093 1 547 . 1 . 1 139 139 ALA CB C 13 19.16423397 0.0000002384185791 . . . . . . . 139 ALA CB . 51093 1 548 . 1 . 1 139 139 ALA N N 15 125.2123756 0.000001907348633 . . . . . . . 139 ALA N . 51093 1 549 . 1 . 1 140 140 PHE H H 1 7.960329164 0.003749027885 . . . . . . . 140 PHE H . 51093 1 550 . 1 . 1 140 140 PHE C C 13 175.73267 0.01215932225 . . . . . . . 140 PHE C . 51093 1 551 . 1 . 1 140 140 PHE CA C 13 57.94897885 0 . . . . . . . 140 PHE CA . 51093 1 552 . 1 . 1 140 140 PHE CB C 13 39.46630092 0 . . . . . . . 140 PHE CB . 51093 1 553 . 1 . 1 140 140 PHE N N 15 119.3556066 0.02410802564 . . . . . . . 140 PHE N . 51093 1 554 . 1 . 1 141 141 GLN H H 1 8.008251557 0.003152005395 . . . . . . . 141 GLN H . 51093 1 555 . 1 . 1 141 141 GLN C C 13 175.5075775 0.008393834804 . . . . . . . 141 GLN C . 51093 1 556 . 1 . 1 141 141 GLN CA C 13 55.83815394 0 . . . . . . . 141 GLN CA . 51093 1 557 . 1 . 1 141 141 GLN CB C 13 29.63625836 0.0000004768371582 . . . . . . . 141 GLN CB . 51093 1 558 . 1 . 1 141 141 GLN N N 15 122.272219 0.02688541944 . . . . . . . 141 GLN N . 51093 1 559 . 1 . 1 142 142 LYS H H 1 8.116363952 0.001623076268 . . . . . . . 142 LYS H . 51093 1 560 . 1 . 1 142 142 LYS C C 13 176.365981 0.02596422286 . . . . . . . 142 LYS C . 51093 1 561 . 1 . 1 142 142 LYS CA C 13 56.62586144 0 . . . . . . . 142 LYS CA . 51093 1 562 . 1 . 1 142 142 LYS CB C 13 32.97899921 0 . . . . . . . 142 LYS CB . 51093 1 563 . 1 . 1 142 142 LYS N N 15 123.2463973 0.02354156005 . . . . . . . 142 LYS N . 51093 1 564 . 1 . 1 143 143 ARG H H 1 8.216366562 0.003725368869 . . . . . . . 143 ARG H . 51093 1 565 . 1 . 1 143 143 ARG C C 13 175.7280373 0.0119744611 . . . . . . . 143 ARG C . 51093 1 566 . 1 . 1 143 143 ARG CA C 13 55.9957203 0 . . . . . . . 143 ARG CA . 51093 1 567 . 1 . 1 143 143 ARG CB C 13 31.00707718 0 . . . . . . . 143 ARG CB . 51093 1 568 . 1 . 1 143 143 ARG N N 15 122.9571341 0.02984758462 . . . . . . . 143 ARG N . 51093 1 569 . 1 . 1 144 144 ALA H H 1 8.178055707 0.004841570511 . . . . . . . 144 ALA H . 51093 1 570 . 1 . 1 144 144 ALA C C 13 177.2447406 0.0003858222607 . . . . . . . 144 ALA C . 51093 1 571 . 1 . 1 144 144 ALA CA C 13 52.45220113 0 . . . . . . . 144 ALA CA . 51093 1 572 . 1 . 1 144 144 ALA CB C 13 19.32146532 0 . . . . . . . 144 ALA CB . 51093 1 573 . 1 . 1 144 144 ALA N N 15 125.800006 0.01920325945 . . . . . . . 144 ALA N . 51093 1 574 . 1 . 1 145 145 TYR H H 1 7.992372801 0.005854334722 . . . . . . . 145 TYR H . 51093 1 575 . 1 . 1 145 145 TYR C C 13 175.71715 0.005861813316 . . . . . . . 145 TYR C . 51093 1 576 . 1 . 1 145 145 TYR CA C 13 57.95821255 0 . . . . . . . 145 TYR CA . 51093 1 577 . 1 . 1 145 145 TYR CB C 13 38.88632453 0 . . . . . . . 145 TYR CB . 51093 1 578 . 1 . 1 145 145 TYR N N 15 119.8647236 0.04142735628 . . . . . . . 145 TYR N . 51093 1 579 . 1 . 1 146 146 SER H H 1 8.013247978 0.004309899432 . . . . . . . 146 SER H . 51093 1 580 . 1 . 1 146 146 SER C C 13 174.1232684 0.006200498224 . . . . . . . 146 SER C . 51093 1 581 . 1 . 1 146 146 SER CB C 13 64.06497024 0 . . . . . . . 146 SER CB . 51093 1 582 . 1 . 1 146 146 SER N N 15 117.6799108 0.01994894098 . . . . . . . 146 SER N . 51093 1 583 . 1 . 1 147 147 SER H H 1 8.152823361 0.00379392691 . . . . . . . 147 SER H . 51093 1 584 . 1 . 1 147 147 SER C C 13 174.2485244 0.00683302876 . . . . . . . 147 SER C . 51093 1 585 . 1 . 1 147 147 SER CA C 13 58.54513796 0 . . . . . . . 147 SER CA . 51093 1 586 . 1 . 1 147 147 SER CB C 13 63.79178478 0 . . . . . . . 147 SER CB . 51093 1 587 . 1 . 1 147 147 SER N N 15 118.4309322 0.01498173768 . . . . . . . 147 SER N . 51093 1 588 . 1 . 1 148 148 LEU H H 1 8.13841317 0.0009596108869 . . . . . . . 148 LEU H . 51093 1 589 . 1 . 1 148 148 LEU C C 13 176.4072558 0.005860583732 . . . . . . . 148 LEU C . 51093 1 590 . 1 . 1 148 148 LEU CA C 13 55.37722879 0 . . . . . . . 148 LEU CA . 51093 1 591 . 1 . 1 148 148 LEU CB C 13 42.44083414 0 . . . . . . . 148 LEU CB . 51093 1 592 . 1 . 1 148 148 LEU N N 15 124.629441 0.0359635063 . . . . . . . 148 LEU N . 51093 1 593 . 1 . 1 149 149 GLU H H 1 7.696994225 0.001884869676 . . . . . . . 149 GLU H . 51093 1 594 . 1 . 1 149 149 GLU C C 13 180.953792 0 . . . . . . . 149 GLU C . 51093 1 595 . 1 . 1 149 149 GLU CA C 13 58.02296517 0 . . . . . . . 149 GLU CA . 51093 1 596 . 1 . 1 149 149 GLU CB C 13 31.36637023 0 . . . . . . . 149 GLU CB . 51093 1 597 . 1 . 1 149 149 GLU N N 15 126.4633254 0.03842162764 . . . . . . . 149 GLU N . 51093 1 stop_ save_