################################### # 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 53484 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Microcryst_13C_15N _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 13C-13C DARR' . . . 53484 1 2 '2D 15N-13C ZF TEDOR' . . . 53484 1 3 '3D 15N-13C-13C ZF TEDOR DARR' . . . 53484 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 $software_1 . . 53484 1 2 $software_2 . . 53484 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 5 5 LEU C C 13 175.300963 0.1182421119 . 9 . . . . . 5 LEU C . 53484 1 2 . 1 . 1 5 5 LEU CA C 13 54.93904541 . . 9 . . . . . 5 LEU CA . 53484 1 3 . 1 . 1 5 5 LEU CB C 13 44.32166869 . . 9 . . . . . 5 LEU CB . 53484 1 4 . 1 . 1 5 5 LEU CG C 13 26.06253479 . . 9 . . . . . 5 LEU CG . 53484 1 5 . 1 . 1 5 5 LEU CD1 C 13 22.18921024 . . 9 . . . . . 5 LEU CD1 . 53484 1 6 . 1 . 1 5 5 LEU CD2 C 13 21.138918 . . 9 . . . . . 5 LEU CD2 . 53484 1 7 . 1 . 1 6 6 THR C C 13 172.5543954 0.03387059659 . 1 . . . . . 6 THR C . 53484 1 8 . 1 . 1 6 6 THR CA C 13 62.75748415 0.03807638146 . 1 . . . . . 6 THR CA . 53484 1 9 . 1 . 1 6 6 THR CB C 13 68.8452479 0.02420791793 . 1 . . . . . 6 THR CB . 53484 1 10 . 1 . 1 6 6 THR CG2 C 13 22.19542186 0.07382570396 . 1 . . . . . 6 THR CG2 . 53484 1 11 . 1 . 1 6 6 THR N N 15 120.3235056 0.06003126398 . 1 . . . . . 6 THR N . 53484 1 12 . 1 . 1 7 7 VAL C C 13 174.3408442 0.04760990518 . 1 . . . . . 7 VAL C . 53484 1 13 . 1 . 1 7 7 VAL CA C 13 60.73829828 0.05615800754 . 1 . . . . . 7 VAL CA . 53484 1 14 . 1 . 1 7 7 VAL CB C 13 31.89219915 0.01622420739 . 1 . . . . . 7 VAL CB . 53484 1 15 . 1 . 1 7 7 VAL CG1 C 13 22.04458841 0.0429562284 . 1 . . . . . 7 VAL CG1 . 53484 1 16 . 1 . 1 7 7 VAL CG2 C 13 21.62071955 0.01661090132 . 1 . . . . . 7 VAL CG2 . 53484 1 17 . 1 . 1 7 7 VAL N N 15 127.7897634 0.1514539745 . 1 . . . . . 7 VAL N . 53484 1 18 . 1 . 1 8 8 HIS C C 13 174.2929877 0.1926813766 . 1 . . . . . 8 HIS C . 53484 1 19 . 1 . 1 8 8 HIS CA C 13 52.20068185 0.04081577628 . 1 . . . . . 8 HIS CA . 53484 1 20 . 1 . 1 8 8 HIS CB C 13 30.79236207 0.0618577453 . 1 . . . . . 8 HIS CB . 53484 1 21 . 1 . 1 8 8 HIS CG C 13 131.0787651 0.1461417107 . 1 . . . . . 8 HIS CG . 53484 1 22 . 1 . 1 8 8 HIS CD2 C 13 119.0121188 0.07710196413 . 1 . . . . . 8 HIS CD2 . 53484 1 23 . 1 . 1 8 8 HIS N N 15 122.7934531 0.08900504225 . 1 . . . . . 8 HIS N . 53484 1 24 . 1 . 1 9 9 VAL C C 13 175.3083782 0.04889134468 . 1 . . . . . 9 VAL C . 53484 1 25 . 1 . 1 9 9 VAL CA C 13 61.21276847 0.04991788253 . 1 . . . . . 9 VAL CA . 53484 1 26 . 1 . 1 9 9 VAL CB C 13 33.72512825 0.04347387393 . 1 . . . . . 9 VAL CB . 53484 1 27 . 1 . 1 9 9 VAL CG1 C 13 23.37554032 0.02598995469 . 1 . . . . . 9 VAL CG1 . 53484 1 28 . 1 . 1 9 9 VAL CG2 C 13 21.58648281 0.04130609811 . 1 . . . . . 9 VAL CG2 . 53484 1 29 . 1 . 1 9 9 VAL N N 15 122.6291825 0.06439383167 . 1 . . . . . 9 VAL N . 53484 1 30 . 1 . 1 10 10 ARG C C 13 173.9205801 0.0467898781 . 1 . . . . . 10 ARG C . 53484 1 31 . 1 . 1 10 10 ARG CA C 13 54.84374289 0.06104079918 . 1 . . . . . 10 ARG CA . 53484 1 32 . 1 . 1 10 10 ARG CB C 13 32.67554551 0.02361367603 . 1 . . . . . 10 ARG CB . 53484 1 33 . 1 . 1 10 10 ARG CG C 13 27.70869629 0.03706533731 . 1 . . . . . 10 ARG CG . 53484 1 34 . 1 . 1 10 10 ARG CD C 13 43.29876056 0.06984048921 . 1 . . . . . 10 ARG CD . 53484 1 35 . 1 . 1 10 10 ARG N N 15 131.4922049 0.1039368399 . 1 . . . . . 10 ARG N . 53484 1 36 . 1 . 1 10 10 ARG NE N 15 84.74267767 . . 1 . . . . . 10 ARG NE . 53484 1 37 . 1 . 1 11 11 SER C C 13 173.3554252 0.03823905465 . 1 . . . . . 11 SER C . 53484 1 38 . 1 . 1 11 11 SER CA C 13 58.03219284 0.04972252079 . 1 . . . . . 11 SER CA . 53484 1 39 . 1 . 1 11 11 SER CB C 13 67.38077931 0.01508875192 . 1 . . . . . 11 SER CB . 53484 1 40 . 1 . 1 11 11 SER N N 15 116.528791 0.08887598987 . 1 . . . . . 11 SER N . 53484 1 41 . 1 . 1 12 12 GLU C C 13 178.1152076 0.02815220763 . 1 . . . . . 12 GLU C . 53484 1 42 . 1 . 1 12 12 GLU CA C 13 57.99246278 0.02197736968 . 1 . . . . . 12 GLU CA . 53484 1 43 . 1 . 1 12 12 GLU CB C 13 28.60616244 0.07360948959 . 1 . . . . . 12 GLU CB . 53484 1 44 . 1 . 1 12 12 GLU CG C 13 33.36444188 0.1475974346 . 1 . . . . . 12 GLU CG . 53484 1 45 . 1 . 1 12 12 GLU N N 15 118.0019021 0.05472347768 . 1 . . . . . 12 GLU N . 53484 1 46 . 1 . 1 13 13 GLU C C 13 175.5717569 0.004016159769 . 1 . . . . . 13 GLU C . 53484 1 47 . 1 . 1 13 13 GLU CA C 13 56.72718484 0.02168409266 . 1 . . . . . 13 GLU CA . 53484 1 48 . 1 . 1 13 13 GLU CB C 13 28.626234 0.009267929399 . 1 . . . . . 13 GLU CB . 53484 1 49 . 1 . 1 13 13 GLU CG C 13 33.65782827 . . 1 . . . . . 13 GLU CG . 53484 1 50 . 1 . 1 13 13 GLU N N 15 114.0896981 0.05923832208 . 1 . . . . . 13 GLU N . 53484 1 51 . 1 . 1 14 14 TRP C C 13 174.1487803 . . 1 . . . . . 14 TRP C . 53484 1 52 . 1 . 1 14 14 TRP CA C 13 52.21298708 0.005090275771 . 1 . . . . . 14 TRP CA . 53484 1 53 . 1 . 1 14 14 TRP CB C 13 30.84955094 0.07720898311 . 1 . . . . . 14 TRP CB . 53484 1 54 . 1 . 1 14 14 TRP CG C 13 114.0325685 0.1346591708 . 1 . . . . . 14 TRP CG . 53484 1 55 . 1 . 1 14 14 TRP CD1 C 13 126.4298908 0.08431237253 . 1 . . . . . 14 TRP CD1 . 53484 1 56 . 1 . 1 14 14 TRP CD2 C 13 131.1858387 0.07383607935 . 1 . . . . . 14 TRP CD2 . 53484 1 57 . 1 . 1 14 14 TRP CE2 C 13 138.6491579 0.1220093266 . 1 . . . . . 14 TRP CE2 . 53484 1 58 . 1 . 1 14 14 TRP CZ2 C 13 114.4453325 0.05695692021 . 1 . . . . . 14 TRP CZ2 . 53484 1 59 . 1 . 1 14 14 TRP CH2 C 13 125.1460591 0.04782228753 . 1 . . . . . 14 TRP CH2 . 53484 1 60 . 1 . 1 14 14 TRP NE1 N 15 128.7114567 0.05823820291 . 1 . . . . . 14 TRP NE1 . 53484 1 61 . 1 . 1 15 15 ASP C C 13 175.8691397 0.0657431755 . 1 . . . . . 15 ASP C . 53484 1 62 . 1 . 1 15 15 ASP CA C 13 53.44037653 0.0254544906 . 1 . . . . . 15 ASP CA . 53484 1 63 . 1 . 1 15 15 ASP CB C 13 38.66635814 0.05559203918 . 1 . . . . . 15 ASP CB . 53484 1 64 . 1 . 1 15 15 ASP N N 15 118.9644031 0.06734937662 . 1 . . . . . 15 ASP N . 53484 1 65 . 1 . 1 16 16 LEU C C 13 177.137074 0.1061879116 . 1 . . . . . 16 LEU C . 53484 1 66 . 1 . 1 16 16 LEU CA C 13 57.1361179 0.03977817964 . 1 . . . . . 16 LEU CA . 53484 1 67 . 1 . 1 16 16 LEU CB C 13 42.32762234 0.03712388339 . 1 . . . . . 16 LEU CB . 53484 1 68 . 1 . 1 16 16 LEU CG C 13 26.5941899 0.06311898404 . 1 . . . . . 16 LEU CG . 53484 1 69 . 1 . 1 16 16 LEU CD1 C 13 25.66976571 0.02501642261 . 2 . . . . . 16 LEU CD1 . 53484 1 70 . 1 . 1 16 16 LEU N N 15 125.3023205 0.09653922196 . 1 . . . . . 16 LEU N . 53484 1 71 . 1 . 1 17 17 MET C C 13 175.0223997 0.04163797848 . 1 . . . . . 17 MET C . 53484 1 72 . 1 . 1 17 17 MET CA C 13 54.33553701 0.03630587288 . 1 . . . . . 17 MET CA . 53484 1 73 . 1 . 1 17 17 MET CB C 13 37.88293851 0.09641443735 . 1 . . . . . 17 MET CB . 53484 1 74 . 1 . 1 17 17 MET CG C 13 32.3204745 0.0403522338 . 1 . . . . . 17 MET CG . 53484 1 75 . 1 . 1 17 17 MET CE C 13 18.18342023 0.07006109095 . 1 . . . . . 17 MET CE . 53484 1 76 . 1 . 1 17 17 MET N N 15 126.879618 0.1630282195 . 1 . . . . . 17 MET N . 53484 1 77 . 1 . 1 18 18 THR C C 13 173.1386475 0.05211684449 . 1 . . . . . 18 THR C . 53484 1 78 . 1 . 1 18 18 THR CA C 13 60.5240408 0.05248770383 . 1 . . . . . 18 THR CA . 53484 1 79 . 1 . 1 18 18 THR CB C 13 71.31821324 0.04668901303 . 1 . . . . . 18 THR CB . 53484 1 80 . 1 . 1 18 18 THR CG2 C 13 21.4697867 0.0818759666 . 1 . . . . . 18 THR CG2 . 53484 1 81 . 1 . 1 18 18 THR N N 15 118.0495358 0.231335257 . 1 . . . . . 18 THR N . 53484 1 82 . 1 . 1 19 19 PHE C C 13 172.8121067 0.0600516767 . 1 . . . . . 19 PHE C . 53484 1 83 . 1 . 1 19 19 PHE CA C 13 55.52903028 0.07810756988 . 1 . . . . . 19 PHE CA . 53484 1 84 . 1 . 1 19 19 PHE CB C 13 40.06735506 0.0662971913 . 1 . . . . . 19 PHE CB . 53484 1 85 . 1 . 1 19 19 PHE CG C 13 139.0848207 0.04325215894 . 1 . . . . . 19 PHE CG . 53484 1 86 . 1 . 1 19 19 PHE N N 15 120.8460074 0.1530789662 . 1 . . . . . 19 PHE N . 53484 1 87 . 1 . 1 20 20 ASP C C 13 174.7879613 0.08844489649 . 1 . . . . . 20 ASP C . 53484 1 88 . 1 . 1 20 20 ASP CA C 13 52.18822111 0.04412062205 . 1 . . . . . 20 ASP CA . 53484 1 89 . 1 . 1 20 20 ASP CB C 13 39.6328221 0.02030554226 . 1 . . . . . 20 ASP CB . 53484 1 90 . 1 . 1 20 20 ASP CG C 13 176.9639062 0.03743373287 . 1 . . . . . 20 ASP CG . 53484 1 91 . 1 . 1 20 20 ASP N N 15 119.5928595 0.09737086397 . 1 . . . . . 20 ASP N . 53484 1 92 . 1 . 1 21 21 ALA C C 13 174.7153479 0.1059637014 . 1 . . . . . 21 ALA C . 53484 1 93 . 1 . 1 21 21 ALA CA C 13 50.89399808 0.07815867569 . 1 . . . . . 21 ALA CA . 53484 1 94 . 1 . 1 21 21 ALA CB C 13 22.10637626 0.03757727329 . 1 . . . . . 21 ALA CB . 53484 1 95 . 1 . 1 21 21 ALA N N 15 122.2589048 0.1696696885 . 1 . . . . . 21 ALA N . 53484 1 96 . 1 . 1 22 22 ASN C C 13 175.0029082 0.02645541186 . 1 . . . . . 22 ASN C . 53484 1 97 . 1 . 1 22 22 ASN CA C 13 51.18035804 . . 1 . . . . . 22 ASN CA . 53484 1 98 . 1 . 1 22 22 ASN CB C 13 44.33905912 . . 1 . . . . . 22 ASN CB . 53484 1 99 . 1 . 1 22 22 ASN N N 15 120.6704143 0.05958953553 . 1 . . . . . 22 ASN N . 53484 1 100 . 1 . 1 23 23 PRO C C 13 174.5949662 0.1031978927 . 1 . . . . . 23 PRO C . 53484 1 101 . 1 . 1 23 23 PRO CA C 13 64.37457104 0.06449402328 . 1 . . . . . 23 PRO CA . 53484 1 102 . 1 . 1 23 23 PRO CB C 13 31.84107705 0.1352944609 . 1 . . . . . 23 PRO CB . 53484 1 103 . 1 . 1 23 23 PRO CG C 13 27.23228337 0.05399690591 . 1 . . . . . 23 PRO CG . 53484 1 104 . 1 . 1 23 23 PRO CD C 13 51.15638791 0.1198460213 . 1 . . . . . 23 PRO CD . 53484 1 105 . 1 . 1 23 23 PRO N N 15 136.7099225 0.2116599304 . 1 . . . . . 23 PRO N . 53484 1 106 . 1 . 1 24 24 TYR C C 13 174.8121718 . . 1 . . . . . 24 TYR C . 53484 1 107 . 1 . 1 24 24 TYR CA C 13 58.63499359 0.01684335059 . 1 . . . . . 24 TYR CA . 53484 1 108 . 1 . 1 24 24 TYR CB C 13 36.85656362 . . 1 . . . . . 24 TYR CB . 53484 1 109 . 1 . 1 24 24 TYR CZ C 13 156.7704751 0.0008002935755 . 1 . . . . . 24 TYR CZ . 53484 1 110 . 1 . 1 24 24 TYR N N 15 113.3033636 0.1796585972 . 1 . . . . . 24 TYR N . 53484 1 111 . 1 . 1 25 25 ASP C C 13 175.2822375 0.07913870201 . 1 . . . . . 25 ASP C . 53484 1 112 . 1 . 1 25 25 ASP CA C 13 53.52804574 0.06218544232 . 1 . . . . . 25 ASP CA . 53484 1 113 . 1 . 1 25 25 ASP CB C 13 39.45998745 0.08135911893 . 1 . . . . . 25 ASP CB . 53484 1 114 . 1 . 1 25 25 ASP CG C 13 177.6425552 0.001700774337 . 1 . . . . . 25 ASP CG . 53484 1 115 . 1 . 1 25 25 ASP N N 15 122.1758791 0.05751000293 . 1 . . . . . 25 ASP N . 53484 1 116 . 1 . 1 26 26 SER C C 13 175.8279171 0.05547221964 . 1 . . . . . 26 SER C . 53484 1 117 . 1 . 1 26 26 SER CA C 13 57.49106418 0.01222976159 . 1 . . . . . 26 SER CA . 53484 1 118 . 1 . 1 26 26 SER CB C 13 64.0312256 0.01012499669 . 1 . . . . . 26 SER CB . 53484 1 119 . 1 . 1 26 26 SER N N 15 116.1849888 0.06142884897 . 1 . . . . . 26 SER N . 53484 1 120 . 1 . 1 27 27 VAL C C 13 178.7433576 0.0163324408 . 1 . . . . . 27 VAL C . 53484 1 121 . 1 . 1 27 27 VAL CA C 13 66.78784403 0.04590169172 . 1 . . . . . 27 VAL CA . 53484 1 122 . 1 . 1 27 27 VAL CB C 13 30.75829394 0.02926234492 . 1 . . . . . 27 VAL CB . 53484 1 123 . 1 . 1 27 27 VAL CG1 C 13 24.35439624 0.01600280519 . 1 . . . . . 27 VAL CG1 . 53484 1 124 . 1 . 1 27 27 VAL CG2 C 13 21.30528534 0.02878533217 . 1 . . . . . 27 VAL CG2 . 53484 1 125 . 1 . 1 27 27 VAL N N 15 124.8386154 0.1373904799 . 1 . . . . . 27 VAL N . 53484 1 126 . 1 . 1 28 28 LYS C C 13 177.8734321 0.02156354614 . 1 . . . . . 28 LYS C . 53484 1 127 . 1 . 1 28 28 LYS CA C 13 60.31777124 0.0492754744 . 1 . . . . . 28 LYS CA . 53484 1 128 . 1 . 1 28 28 LYS CB C 13 31.38696495 0.02511838632 . 1 . . . . . 28 LYS CB . 53484 1 129 . 1 . 1 28 28 LYS CG C 13 24.41229269 0.01510194159 . 1 . . . . . 28 LYS CG . 53484 1 130 . 1 . 1 28 28 LYS CD C 13 29.38398844 0.04727682709 . 1 . . . . . 28 LYS CD . 53484 1 131 . 1 . 1 28 28 LYS CE C 13 42.11807362 0.1211360686 . 1 . . . . . 28 LYS CE . 53484 1 132 . 1 . 1 28 28 LYS N N 15 122.2230244 0.06933787402 . 1 . . . . . 28 LYS N . 53484 1 133 . 1 . 1 28 28 LYS NZ N 15 33.03056135 0.008238729855 . 1 . . . . . 28 LYS NZ . 53484 1 134 . 1 . 1 29 29 LYS C C 13 179.5717034 0.0567686173 . 5 . . . . . 29 LYS C . 53484 1 135 . 1 . 1 29 29 LYS CA C 13 59.34344773 0.04104655781 . 5 . . . . . 29 LYS CA . 53484 1 136 . 1 . 1 29 29 LYS CB C 13 33.90029486 0.02102939124 . 5 . . . . . 29 LYS CB . 53484 1 137 . 1 . 1 29 29 LYS CG C 13 27.63000016 0.05950048517 . 5 . . . . . 29 LYS CG . 53484 1 138 . 1 . 1 29 29 LYS N N 15 120.098424 0.1084400067 . 5 . . . . . 29 LYS N . 53484 1 139 . 1 . 1 30 30 ILE C C 13 178.8252073 0.02590547207 . 1 . . . . . 30 ILE C . 53484 1 140 . 1 . 1 30 30 ILE CA C 13 63.23843758 0.06695070075 . 1 . . . . . 30 ILE CA . 53484 1 141 . 1 . 1 30 30 ILE CB C 13 33.89658854 0.1016857217 . 1 . . . . . 30 ILE CB . 53484 1 142 . 1 . 1 30 30 ILE CG1 C 13 27.22585049 0.07682461783 . 1 . . . . . 30 ILE CG1 . 53484 1 143 . 1 . 1 30 30 ILE CG2 C 13 17.88118394 0.05012913298 . 1 . . . . . 30 ILE CG2 . 53484 1 144 . 1 . 1 30 30 ILE CD1 C 13 9.076011377 0.09623666807 . 1 . . . . . 30 ILE CD1 . 53484 1 145 . 1 . 1 30 30 ILE N N 15 119.5884769 0.3002144907 . 1 . . . . . 30 ILE N . 53484 1 146 . 1 . 1 31 31 LYS C C 13 180.1313065 0.04263398223 . 5 . . . . . 31 LYS C . 53484 1 147 . 1 . 1 31 31 LYS CA C 13 59.37064083 0.06987581075 . 5 . . . . . 31 LYS CA . 53484 1 148 . 1 . 1 31 31 LYS CB C 13 33.11994889 0.07308987499 . 5 . . . . . 31 LYS CB . 53484 1 149 . 1 . 1 31 31 LYS CG C 13 25.94429036 0.07049237154 . 5 . . . . . 31 LYS CG . 53484 1 150 . 1 . 1 31 31 LYS CD C 13 31.42924312 0.1030467086 . 5 . . . . . 31 LYS CD . 53484 1 151 . 1 . 1 31 31 LYS CE C 13 42.77684149 0.06393334712 . 5 . . . . . 31 LYS CE . 53484 1 152 . 1 . 1 31 31 LYS N N 15 119.5324856 0.2526784801 . 5 . . . . . 31 LYS N . 53484 1 153 . 1 . 1 31 31 LYS NZ N 15 35.08136212 0.2049244507 . 5 . . . . . 31 LYS NZ . 53484 1 154 . 1 . 1 32 32 GLU C C 13 175.8389362 0.02679493548 . 1 . . . . . 32 GLU C . 53484 1 155 . 1 . 1 32 32 GLU CA C 13 56.85995975 0.04962170376 . 1 . . . . . 32 GLU CA . 53484 1 156 . 1 . 1 32 32 GLU CB C 13 28.39975848 0.01705521838 . 1 . . . . . 32 GLU CB . 53484 1 157 . 1 . 1 32 32 GLU N N 15 119.9708808 0.03644281282 . 1 . . . . . 32 GLU N . 53484 1 158 . 1 . 1 33 33 HIS C C 13 177.6196046 0.0460009066 . 1 . . . . . 33 HIS C . 53484 1 159 . 1 . 1 33 33 HIS CA C 13 58.80081282 0.06970554997 . 1 . . . . . 33 HIS CA . 53484 1 160 . 1 . 1 33 33 HIS CB C 13 26.42457692 0.04453090282 . 1 . . . . . 33 HIS CB . 53484 1 161 . 1 . 1 33 33 HIS CG C 13 129.9163939 0.06446436759 . 1 . . . . . 33 HIS CG . 53484 1 162 . 1 . 1 33 33 HIS CD2 C 13 119.0674773 0.1541968969 . 1 . . . . . 33 HIS CD2 . 53484 1 163 . 1 . 1 33 33 HIS CE1 C 13 138.1961002 0.0498461789 . 1 . . . . . 33 HIS CE1 . 53484 1 164 . 1 . 1 33 33 HIS N N 15 120.2968971 0.164231669 . 1 . . . . . 33 HIS N . 53484 1 165 . 1 . 1 33 33 HIS ND1 N 15 175.8088628 0.2972209728 . 1 . . . . . 33 HIS ND1 . 53484 1 166 . 1 . 1 33 33 HIS NE2 N 15 174.4481757 0.04817511072 . 1 . . . . . 33 HIS NE2 . 53484 1 167 . 1 . 1 34 34 VAL C C 13 180.4358153 0.04616223626 . 1 . . . . . 34 VAL C . 53484 1 168 . 1 . 1 34 34 VAL CA C 13 66.36967066 0.04546812523 . 1 . . . . . 34 VAL CA . 53484 1 169 . 1 . 1 34 34 VAL CB C 13 30.84025411 0.03147072234 . 1 . . . . . 34 VAL CB . 53484 1 170 . 1 . 1 34 34 VAL CG1 C 13 22.98450279 0.0268291617 . 1 . . . . . 34 VAL CG1 . 53484 1 171 . 1 . 1 34 34 VAL CG2 C 13 22.52370152 0.02370640752 . 1 . . . . . 34 VAL CG2 . 53484 1 172 . 1 . 1 34 34 VAL N N 15 120.1882601 0.1070918444 . 1 . . . . . 34 VAL N . 53484 1 173 . 1 . 1 35 35 ARG C C 13 178.7222613 0.05516783269 . 1 . . . . . 35 ARG C . 53484 1 174 . 1 . 1 35 35 ARG CA C 13 59.37067837 0.07249452279 . 1 . . . . . 35 ARG CA . 53484 1 175 . 1 . 1 35 35 ARG CB C 13 29.82747396 0.04111311507 . 1 . . . . . 35 ARG CB . 53484 1 176 . 1 . 1 35 35 ARG CG C 13 25.66337849 0.03922922923 . 1 . . . . . 35 ARG CG . 53484 1 177 . 1 . 1 35 35 ARG CD C 13 43.82385234 0.08158420298 . 1 . . . . . 35 ARG CD . 53484 1 178 . 1 . 1 35 35 ARG CZ C 13 159.3488888 0.05121670954 . 1 . . . . . 35 ARG CZ . 53484 1 179 . 1 . 1 35 35 ARG N N 15 125.3502717 0.06176588716 . 1 . . . . . 35 ARG N . 53484 1 180 . 1 . 1 35 35 ARG NE N 15 83.65926334 0.1320969375 . 1 . . . . . 35 ARG NE . 53484 1 181 . 1 . 1 35 35 ARG NH1 N 15 75.76160923 0.2342189419 . 1 . . . . . 35 ARG NH1 . 53484 1 182 . 1 . 1 35 35 ARG NH2 N 15 68.69691793 0.2015995716 . 1 . . . . . 35 ARG NH2 . 53484 1 183 . 1 . 1 36 36 SER C C 13 175.2708282 0.03414773347 . 1 . . . . . 36 SER C . 53484 1 184 . 1 . 1 36 36 SER CA C 13 61.89085308 0.02985471834 . 1 . . . . . 36 SER CA . 53484 1 185 . 1 . 1 36 36 SER CB C 13 62.72271656 0.065036139 . 1 . . . . . 36 SER CB . 53484 1 186 . 1 . 1 36 36 SER N N 15 117.2807722 0.1725059482 . 1 . . . . . 36 SER N . 53484 1 187 . 1 . 1 37 37 LYS C C 13 177.7730935 0.07023661509 . 1 . . . . . 37 LYS C . 53484 1 188 . 1 . 1 37 37 LYS CA C 13 57.44419214 0.04402902915 . 1 . . . . . 37 LYS CA . 53484 1 189 . 1 . 1 37 37 LYS CB C 13 34.33535048 0.04620892763 . 1 . . . . . 37 LYS CB . 53484 1 190 . 1 . 1 37 37 LYS CG C 13 25.2739124 0.05149735863 . 1 . . . . . 37 LYS CG . 53484 1 191 . 1 . 1 37 37 LYS CD C 13 28.57543159 0.02618886874 . 1 . . . . . 37 LYS CD . 53484 1 192 . 1 . 1 37 37 LYS CE C 13 42.31574761 0.01258798678 . 1 . . . . . 37 LYS CE . 53484 1 193 . 1 . 1 37 37 LYS N N 15 115.951526 0.1633217272 . 1 . . . . . 37 LYS N . 53484 1 194 . 1 . 1 37 37 LYS NZ N 15 33.13156449 0.0048250563 . 1 . . . . . 37 LYS NZ . 53484 1 195 . 1 . 1 38 38 THR C C 13 175.1685492 0.03335895854 . 1 . . . . . 38 THR C . 53484 1 196 . 1 . 1 38 38 THR CA C 13 62.44255143 0.06528763371 . 1 . . . . . 38 THR CA . 53484 1 197 . 1 . 1 38 38 THR CB C 13 72.59949727 0.02949113435 . 1 . . . . . 38 THR CB . 53484 1 198 . 1 . 1 38 38 THR CG2 C 13 20.92317198 0.02144921737 . 1 . . . . . 38 THR CG2 . 53484 1 199 . 1 . 1 38 38 THR N N 15 106.032655 0.1454388364 . 1 . . . . . 38 THR N . 53484 1 200 . 1 . 1 39 39 LYS C C 13 176.0927112 0.08276305868 . 1 . . . . . 39 LYS C . 53484 1 201 . 1 . 1 39 39 LYS CA C 13 57.56290254 0.1007106178 . 1 . . . . . 39 LYS CA . 53484 1 202 . 1 . 1 39 39 LYS CB C 13 29.81494797 0.07412579173 . 1 . . . . . 39 LYS CB . 53484 1 203 . 1 . 1 39 39 LYS N N 15 116.7383658 0.1710374533 . 1 . . . . . 39 LYS N . 53484 1 204 . 1 . 1 40 40 VAL C C 13 174.0239825 0.07141613194 . 1 . . . . . 40 VAL C . 53484 1 205 . 1 . 1 40 40 VAL CA C 13 61.07998376 0.05695821051 . 1 . . . . . 40 VAL CA . 53484 1 206 . 1 . 1 40 40 VAL CB C 13 32.76261506 0.03503889266 . 1 . . . . . 40 VAL CB . 53484 1 207 . 1 . 1 40 40 VAL CG1 C 13 22.76445336 0.04634062722 . 2 . . . . . 40 VAL CG1 . 53484 1 208 . 1 . 1 40 40 VAL N N 15 125.2713877 0.2168933794 . 1 . . . . . 40 VAL N . 53484 1 209 . 1 . 1 41 41 PRO C C 13 179.4915515 0.1058141967 . 1 . . . . . 41 PRO C . 53484 1 210 . 1 . 1 41 41 PRO CA C 13 62.99951643 0.05544738108 . 1 . . . . . 41 PRO CA . 53484 1 211 . 1 . 1 41 41 PRO CB C 13 33.28397507 0.04314255724 . 1 . . . . . 41 PRO CB . 53484 1 212 . 1 . 1 41 41 PRO CG C 13 28.21714167 0.01376319862 . 1 . . . . . 41 PRO CG . 53484 1 213 . 1 . 1 41 41 PRO CD C 13 51.38482127 0.08414895136 . 1 . . . . . 41 PRO CD . 53484 1 214 . 1 . 1 41 41 PRO N N 15 139.7920676 0.1264717187 . 1 . . . . . 41 PRO N . 53484 1 215 . 1 . 1 42 42 VAL C C 13 178.8749942 0.04945329456 . 1 . . . . . 42 VAL C . 53484 1 216 . 1 . 1 42 42 VAL CA C 13 66.16858089 0.03154346657 . 1 . . . . . 42 VAL CA . 53484 1 217 . 1 . 1 42 42 VAL CB C 13 31.11196612 0.06538293067 . 1 . . . . . 42 VAL CB . 53484 1 218 . 1 . 1 42 42 VAL CG1 C 13 22.54155508 0.04140600439 . 1 . . . . . 42 VAL CG1 . 53484 1 219 . 1 . 1 42 42 VAL CG2 C 13 18.66162481 0.04074464494 . 1 . . . . . 42 VAL CG2 . 53484 1 220 . 1 . 1 42 42 VAL N N 15 116.7935598 0.07165433939 . 1 . . . . . 42 VAL N . 53484 1 221 . 1 . 1 43 43 GLN C C 13 175.0549224 0.06405744891 . 1 . . . . . 43 GLN C . 53484 1 222 . 1 . 1 43 43 GLN CA C 13 57.23672682 0.04785036236 . 1 . . . . . 43 GLN CA . 53484 1 223 . 1 . 1 43 43 GLN CB C 13 31.67200972 0.04792316151 . 1 . . . . . 43 GLN CB . 53484 1 224 . 1 . 1 43 43 GLN CG C 13 26.3211147 0.04192323549 . 1 . . . . . 43 GLN CG . 53484 1 225 . 1 . 1 43 43 GLN CD C 13 180.810503 0.07774064044 . 1 . . . . . 43 GLN CD . 53484 1 226 . 1 . 1 43 43 GLN N N 15 120.5249662 0.1789775019 . 1 . . . . . 43 GLN N . 53484 1 227 . 1 . 1 43 43 GLN NE2 N 15 113.4771212 0.05839325169 . 1 . . . . . 43 GLN NE2 . 53484 1 228 . 1 . 1 44 44 ASP C C 13 173.2623371 0.1070774573 . 1 . . . . . 44 ASP C . 53484 1 229 . 1 . 1 44 44 ASP CA C 13 52.28484819 0.09200675556 . 1 . . . . . 44 ASP CA . 53484 1 230 . 1 . 1 44 44 ASP CB C 13 38.35233571 0.003731870021 . 1 . . . . . 44 ASP CB . 53484 1 231 . 1 . 1 44 44 ASP CG C 13 175.0835514 0.08433189462 . 1 . . . . . 44 ASP CG . 53484 1 232 . 1 . 1 44 44 ASP N N 15 118.4752633 0.1433955817 . 1 . . . . . 44 ASP N . 53484 1 233 . 1 . 1 45 45 GLN C C 13 176.5359927 0.09555306726 . 1 . . . . . 45 GLN C . 53484 1 234 . 1 . 1 45 45 GLN CA C 13 55.04704225 0.0516118116 . 1 . . . . . 45 GLN CA . 53484 1 235 . 1 . 1 45 45 GLN CB C 13 32.66844221 0.005148815852 . 1 . . . . . 45 GLN CB . 53484 1 236 . 1 . 1 45 45 GLN CG C 13 32.84009418 0.05909413867 . 1 . . . . . 45 GLN CG . 53484 1 237 . 1 . 1 45 45 GLN CD C 13 175.5222987 0.08421293958 . 1 . . . . . 45 GLN CD . 53484 1 238 . 1 . 1 45 45 GLN N N 15 116.965084 0.1156716492 . 1 . . . . . 45 GLN N . 53484 1 239 . 1 . 1 45 45 GLN NE2 N 15 102.4046658 0.225134032 . 1 . . . . . 45 GLN NE2 . 53484 1 240 . 1 . 1 46 46 VAL C C 13 173.9393591 0.06414026438 . 1 . . . . . 46 VAL C . 53484 1 241 . 1 . 1 46 46 VAL CA C 13 62.27703071 0.07611977303 . 1 . . . . . 46 VAL CA . 53484 1 242 . 1 . 1 46 46 VAL CB C 13 34.62893419 0.04996282356 . 1 . . . . . 46 VAL CB . 53484 1 243 . 1 . 1 46 46 VAL CG1 C 13 22.35306464 0.05437532727 . 1 . . . . . 46 VAL CG1 . 53484 1 244 . 1 . 1 46 46 VAL CG2 C 13 21.01117996 0.03872261856 . 1 . . . . . 46 VAL CG2 . 53484 1 245 . 1 . 1 46 46 VAL N N 15 122.701264 0.2607816449 . 1 . . . . . 46 VAL N . 53484 1 246 . 1 . 1 47 47 LEU C C 13 175.2030083 0.03145492789 . 1 . . . . . 47 LEU C . 53484 1 247 . 1 . 1 47 47 LEU CA C 13 52.8270143 0.0804196402 . 1 . . . . . 47 LEU CA . 53484 1 248 . 1 . 1 47 47 LEU CB C 13 44.95082754 0.04893292279 . 1 . . . . . 47 LEU CB . 53484 1 249 . 1 . 1 47 47 LEU CG C 13 26.99157692 0.01400635271 . 1 . . . . . 47 LEU CG . 53484 1 250 . 1 . 1 47 47 LEU CD1 C 13 23.85961196 0.01799472073 . 2 . . . . . 47 LEU CD1 . 53484 1 251 . 1 . 1 47 47 LEU N N 15 126.2450611 0.1685619432 . 1 . . . . . 47 LEU N . 53484 1 252 . 1 . 1 48 48 LEU C C 13 175.8595442 0.03797107277 . 1 . . . . . 48 LEU C . 53484 1 253 . 1 . 1 48 48 LEU CA C 13 54.86554864 0.04094118077 . 1 . . . . . 48 LEU CA . 53484 1 254 . 1 . 1 48 48 LEU CB C 13 44.33970146 0.03703951156 . 1 . . . . . 48 LEU CB . 53484 1 255 . 1 . 1 48 48 LEU CG C 13 29.24145631 0.03361105353 . 1 . . . . . 48 LEU CG . 53484 1 256 . 1 . 1 48 48 LEU CD1 C 13 27.58663961 0.006994813585 . 1 . . . . . 48 LEU CD1 . 53484 1 257 . 1 . 1 48 48 LEU CD2 C 13 26.19628159 0.03733394859 . 1 . . . . . 48 LEU CD2 . 53484 1 258 . 1 . 1 48 48 LEU N N 15 120.6079792 0.1034134792 . 1 . . . . . 48 LEU N . 53484 1 259 . 1 . 1 49 49 LEU C C 13 176.8837612 0.04244865519 . 1 . . . . . 49 LEU C . 53484 1 260 . 1 . 1 49 49 LEU CA C 13 53.1860244 0.05056346366 . 1 . . . . . 49 LEU CA . 53484 1 261 . 1 . 1 49 49 LEU CB C 13 44.85836296 0.04859220746 . 1 . . . . . 49 LEU CB . 53484 1 262 . 1 . 1 49 49 LEU CG C 13 27.5823708 0.06451245102 . 1 . . . . . 49 LEU CG . 53484 1 263 . 1 . 1 49 49 LEU CD2 C 13 23.74995445 0.04883102917 . 2 . . . . . 49 LEU CD2 . 53484 1 264 . 1 . 1 49 49 LEU N N 15 123.9890675 0.1371441427 . 1 . . . . . 49 LEU N . 53484 1 265 . 1 . 1 50 50 GLY C C 13 174.7128824 0.04180270315 . 1 . . . . . 50 GLY C . 53484 1 266 . 1 . 1 50 50 GLY CA C 13 47.17609148 0.03756919973 . 1 . . . . . 50 GLY CA . 53484 1 267 . 1 . 1 50 50 GLY N N 15 119.3882546 0.1141102764 . 1 . . . . . 50 GLY N . 53484 1 268 . 1 . 1 51 51 SER C C 13 173.0276502 0.04668920262 . 1 . . . . . 51 SER C . 53484 1 269 . 1 . 1 51 51 SER CA C 13 58.08902148 0.09023409936 . 1 . . . . . 51 SER CA . 53484 1 270 . 1 . 1 51 51 SER CB C 13 63.70381952 0.0535128462 . 1 . . . . . 51 SER CB . 53484 1 271 . 1 . 1 51 51 SER N N 15 122.7369097 0.1320182491 . 1 . . . . . 51 SER N . 53484 1 272 . 1 . 1 52 52 LYS C C 13 175.3694056 0.04762790607 . 1 . . . . . 52 LYS C . 53484 1 273 . 1 . 1 52 52 LYS CA C 13 55.29531595 0.07859652901 . 1 . . . . . 52 LYS CA . 53484 1 274 . 1 . 1 52 52 LYS CB C 13 33.76649453 0.01700236135 . 1 . . . . . 52 LYS CB . 53484 1 275 . 1 . 1 52 52 LYS CG C 13 24.42622859 0.02522361037 . 1 . . . . . 52 LYS CG . 53484 1 276 . 1 . 1 52 52 LYS CD C 13 29.29499976 0.04029940448 . 1 . . . . . 52 LYS CD . 53484 1 277 . 1 . 1 52 52 LYS CE C 13 42.0799027 0.002142592041 . 1 . . . . . 52 LYS CE . 53484 1 278 . 1 . 1 52 52 LYS N N 15 122.9952762 0.03926845984 . 1 . . . . . 52 LYS N . 53484 1 279 . 1 . 1 53 53 ILE C C 13 176.6928379 0.04858880702 . 1 . . . . . 53 ILE C . 53484 1 280 . 1 . 1 53 53 ILE CA C 13 62.46881681 0.05891162823 . 1 . . . . . 53 ILE CA . 53484 1 281 . 1 . 1 53 53 ILE CB C 13 37.55710948 0.03790835448 . 1 . . . . . 53 ILE CB . 53484 1 282 . 1 . 1 53 53 ILE CG1 C 13 29.38564523 0.02544948637 . 1 . . . . . 53 ILE CG1 . 53484 1 283 . 1 . 1 53 53 ILE CG2 C 13 18.17355962 0.05110657395 . 1 . . . . . 53 ILE CG2 . 53484 1 284 . 1 . 1 53 53 ILE CD1 C 13 14.05645939 0.0419081747 . 1 . . . . . 53 ILE CD1 . 53484 1 285 . 1 . 1 53 53 ILE N N 15 126.312365 0.1138141806 . 1 . . . . . 53 ILE N . 53484 1 286 . 1 . 1 54 54 LEU C C 13 175.2597196 0.03331431694 . 1 . . . . . 54 LEU C . 53484 1 287 . 1 . 1 54 54 LEU CA C 13 54.16662361 0.03118707472 . 1 . . . . . 54 LEU CA . 53484 1 288 . 1 . 1 54 54 LEU CB C 13 42.61621448 0.03633140625 . 1 . . . . . 54 LEU CB . 53484 1 289 . 1 . 1 54 54 LEU CG C 13 25.74837736 0.03767537719 . 1 . . . . . 54 LEU CG . 53484 1 290 . 1 . 1 54 54 LEU CD1 C 13 19.80418402 0.04393049426 . 2 . . . . . 54 LEU CD1 . 53484 1 291 . 1 . 1 54 54 LEU N N 15 128.3175892 0.1155271124 . 1 . . . . . 54 LEU N . 53484 1 292 . 1 . 1 55 55 LYS C C 13 175.332868 0.0607958628 . 1 . . . . . 55 LYS C . 53484 1 293 . 1 . 1 55 55 LYS CA C 13 53.82383874 0.08299453858 . 1 . . . . . 55 LYS CA . 53484 1 294 . 1 . 1 55 55 LYS CB C 13 32.89168309 0.008217413178 . 1 . . . . . 55 LYS CB . 53484 1 295 . 1 . 1 55 55 LYS CG C 13 25.47092306 0.00433615718 . 1 . . . . . 55 LYS CG . 53484 1 296 . 1 . 1 55 55 LYS CD C 13 28.91140543 0.01602349038 . 1 . . . . . 55 LYS CD . 53484 1 297 . 1 . 1 55 55 LYS N N 15 124.2267763 0.138965301 . 1 . . . . . 55 LYS N . 53484 1 298 . 1 . 1 56 56 PRO C C 13 176.4025521 0.05233289302 . 1 . . . . . 56 PRO C . 53484 1 299 . 1 . 1 56 56 PRO CA C 13 66.11067931 0.0821987708 . 1 . . . . . 56 PRO CA . 53484 1 300 . 1 . 1 56 56 PRO CB C 13 32.90267641 0.02336208159 . 1 . . . . . 56 PRO CB . 53484 1 301 . 1 . 1 56 56 PRO CG C 13 28.70478258 0.06453984767 . 1 . . . . . 56 PRO CG . 53484 1 302 . 1 . 1 56 56 PRO CD C 13 50.93966467 0.05907608419 . 1 . . . . . 56 PRO CD . 53484 1 303 . 1 . 1 56 56 PRO N N 15 137.2902047 0.09333691554 . 1 . . . . . 56 PRO N . 53484 1 304 . 1 . 1 57 57 ARG C C 13 177.6582414 0.07785337828 . 1 . . . . . 57 ARG C . 53484 1 305 . 1 . 1 57 57 ARG CA C 13 56.80084443 0.03979081908 . 1 . . . . . 57 ARG CA . 53484 1 306 . 1 . 1 57 57 ARG CB C 13 29.65228265 0.05808735794 . 1 . . . . . 57 ARG CB . 53484 1 307 . 1 . 1 57 57 ARG CG C 13 25.34057445 0.02231214862 . 1 . . . . . 57 ARG CG . 53484 1 308 . 1 . 1 57 57 ARG N N 15 110.323544 0.1758680057 . 1 . . . . . 57 ARG N . 53484 1 309 . 1 . 1 58 58 ARG C C 13 175.8612277 0.06859093657 . 1 . . . . . 58 ARG C . 53484 1 310 . 1 . 1 58 58 ARG CA C 13 56.15348268 0.06174870092 . 1 . . . . . 58 ARG CA . 53484 1 311 . 1 . 1 58 58 ARG CB C 13 31.6719173 0.008256592509 . 1 . . . . . 58 ARG CB . 53484 1 312 . 1 . 1 58 58 ARG CG C 13 28.85693931 0.002823799275 . 1 . . . . . 58 ARG CG . 53484 1 313 . 1 . 1 58 58 ARG CD C 13 43.21928229 . . 1 . . . . . 58 ARG CD . 53484 1 314 . 1 . 1 58 58 ARG N N 15 120.8949542 0.0818686684 . 1 . . . . . 58 ARG N . 53484 1 315 . 1 . 1 59 59 SER C C 13 177.8940628 0.1146037075 . 1 . . . . . 59 SER C . 53484 1 316 . 1 . 1 59 59 SER CA C 13 57.23787292 0.0305347197 . 1 . . . . . 59 SER CA . 53484 1 317 . 1 . 1 59 59 SER CB C 13 65.29373417 0.01662202882 . 1 . . . . . 59 SER CB . 53484 1 318 . 1 . 1 59 59 SER N N 15 112.7040179 0.1222187631 . 1 . . . . . 59 SER N . 53484 1 319 . 1 . 1 60 60 LEU C C 13 179.9689559 0.06935563721 . 1 . . . . . 60 LEU C . 53484 1 320 . 1 . 1 60 60 LEU CA C 13 58.71688194 0.07201136113 . 1 . . . . . 60 LEU CA . 53484 1 321 . 1 . 1 60 60 LEU CB C 13 40.51138174 0.07276787161 . 1 . . . . . 60 LEU CB . 53484 1 322 . 1 . 1 60 60 LEU CG C 13 26.53646046 0.04999016227 . 1 . . . . . 60 LEU CG . 53484 1 323 . 1 . 1 60 60 LEU CD1 C 13 22.40073512 0.0539570659 . 2 . . . . . 60 LEU CD1 . 53484 1 324 . 1 . 1 60 60 LEU N N 15 126.0234793 0.2265103762 . 1 . . . . . 60 LEU N . 53484 1 325 . 1 . 1 61 61 SER C C 13 177.753491 0.01129317932 . 1 . . . . . 61 SER C . 53484 1 326 . 1 . 1 61 61 SER CA C 13 60.98383391 0.0298031995 . 1 . . . . . 61 SER CA . 53484 1 327 . 1 . 1 61 61 SER CB C 13 62.58932265 0.007430533011 . 1 . . . . . 61 SER CB . 53484 1 328 . 1 . 1 61 61 SER N N 15 113.003768 0.1543101702 . 1 . . . . . 61 SER N . 53484 1 329 . 1 . 1 62 62 SER C C 13 175.001992 0.04622952797 . 1 . . . . . 62 SER C . 53484 1 330 . 1 . 1 62 62 SER CA C 13 61.03311277 0.04518210414 . 1 . . . . . 62 SER CA . 53484 1 331 . 1 . 1 62 62 SER CB C 13 62.84735052 0.03498289252 . 1 . . . . . 62 SER CB . 53484 1 332 . 1 . 1 62 62 SER N N 15 119.4131466 0.1261143315 . 1 . . . . . 62 SER N . 53484 1 333 . 1 . 1 63 63 TYR C C 13 176.1321303 0.05950498969 . 1 . . . . . 63 TYR C . 53484 1 334 . 1 . 1 63 63 TYR CA C 13 59.35344958 0.1341453039 . 1 . . . . . 63 TYR CA . 53484 1 335 . 1 . 1 63 63 TYR CB C 13 37.43936685 0.08162766704 . 1 . . . . . 63 TYR CB . 53484 1 336 . 1 . 1 63 63 TYR CG C 13 132.4722376 0.04826979705 . 1 . . . . . 63 TYR CG . 53484 1 337 . 1 . 1 63 63 TYR CD1 C 13 132.6291923 0.1437917132 . 3 . . . . . 63 TYR CD1 . 53484 1 338 . 1 . 1 63 63 TYR CE1 C 13 118.1488178 0.09008038041 . 3 . . . . . 63 TYR CE1 . 53484 1 339 . 1 . 1 63 63 TYR CZ C 13 157.5658578 0.07255131807 . 1 . . . . . 63 TYR CZ . 53484 1 340 . 1 . 1 63 63 TYR N N 15 119.8338679 0.02885591018 . 1 . . . . . 63 TYR N . 53484 1 341 . 1 . 1 64 64 GLY CA C 13 46.42392134 0.09163291733 . 1 . . . . . 64 GLY CA . 53484 1 342 . 1 . 1 64 64 GLY N N 15 107.4373715 0.06361469945 . 1 . . . . . 64 GLY N . 53484 1 343 . 1 . 1 66 66 ASP C C 13 173.6421289 0.004181979209 . 9 . . . . . 66 ASP C . 53484 1 344 . 1 . 1 66 66 ASP CA C 13 58.0380948 . . 9 . . . . . 66 ASP CA . 53484 1 345 . 1 . 1 70 70 THR C C 13 172.7756749 0.02701387922 . 5 . . . . . 70 THR C . 53484 1 346 . 1 . 1 70 70 THR CA C 13 59.54818881 0.1563188075 . 5 . . . . . 70 THR CA . 53484 1 347 . 1 . 1 70 70 THR CB C 13 71.27560661 0.0222593004 . 5 . . . . . 70 THR CB . 53484 1 348 . 1 . 1 70 70 THR CG2 C 13 21.01487364 0.0288328149 . 5 . . . . . 70 THR CG2 . 53484 1 349 . 1 . 1 70 70 THR N N 15 114.1468204 0.1413994021 . 5 . . . . . 70 THR N . 53484 1 350 . 1 . 1 72 72 HIS C C 13 173.7020638 0.1000080398 . 1 . . . . . 72 HIS C . 53484 1 351 . 1 . 1 72 72 HIS CA C 13 54.90465848 0.06495320493 . 1 . . . . . 72 HIS CA . 53484 1 352 . 1 . 1 72 72 HIS CB C 13 28.74098458 0.03801479504 . 1 . . . . . 72 HIS CB . 53484 1 353 . 1 . 1 72 72 HIS CG C 13 132.0845153 0.05125151414 . 1 . . . . . 72 HIS CG . 53484 1 354 . 1 . 1 72 72 HIS CD2 C 13 119.8963139 0.1117008814 . 1 . . . . . 72 HIS CD2 . 53484 1 355 . 1 . 1 72 72 HIS CE1 C 13 136.5660824 0.05599740316 . 1 . . . . . 72 HIS CE1 . 53484 1 356 . 1 . 1 72 72 HIS N N 15 122.7640619 0.1688695764 . 1 . . . . . 72 HIS N . 53484 1 357 . 1 . 1 72 72 HIS ND1 N 15 178.129136 0.06544929138 . 1 . . . . . 72 HIS ND1 . 53484 1 358 . 1 . 1 72 72 HIS NE2 N 15 174.8377895 0.09871050816 . 1 . . . . . 72 HIS NE2 . 53484 1 359 . 1 . 1 73 73 LEU C C 13 176.815088 0.0578769194 . 1 . . . . . 73 LEU C . 53484 1 360 . 1 . 1 73 73 LEU CA C 13 52.64733833 0.03550110803 . 1 . . . . . 73 LEU CA . 53484 1 361 . 1 . 1 73 73 LEU CB C 13 45.15962195 0.05016895308 . 1 . . . . . 73 LEU CB . 53484 1 362 . 1 . 1 73 73 LEU CG C 13 27.05226122 0.03888400394 . 1 . . . . . 73 LEU CG . 53484 1 363 . 1 . 1 73 73 LEU CD1 C 13 24.73983537 0.04220345433 . 2 . . . . . 73 LEU CD1 . 53484 1 364 . 1 . 1 73 73 LEU N N 15 122.0473771 0.1116617448 . 1 . . . . . 73 LEU N . 53484 1 365 . 1 . 1 74 74 THR C C 13 172.4101076 0.0477716388 . 1 . . . . . 74 THR C . 53484 1 366 . 1 . 1 74 74 THR CA C 13 61.62292853 0.05115315842 . 1 . . . . . 74 THR CA . 53484 1 367 . 1 . 1 74 74 THR CB C 13 71.01225904 0.08392666488 . 1 . . . . . 74 THR CB . 53484 1 368 . 1 . 1 74 74 THR CG2 C 13 22.04550145 0.05144200544 . 1 . . . . . 74 THR CG2 . 53484 1 369 . 1 . 1 74 74 THR N N 15 119.0304519 0.1146842526 . 1 . . . . . 74 THR N . 53484 1 370 . 1 . 1 75 75 LEU C C 13 175.2315347 0.04972104308 . 1 . . . . . 75 LEU C . 53484 1 371 . 1 . 1 75 75 LEU CA C 13 53.42722483 0.06954956205 . 1 . . . . . 75 LEU CA . 53484 1 372 . 1 . 1 75 75 LEU CB C 13 44.61999253 0.04677490166 . 1 . . . . . 75 LEU CB . 53484 1 373 . 1 . 1 75 75 LEU CG C 13 27.78849861 0.02693624426 . 1 . . . . . 75 LEU CG . 53484 1 374 . 1 . 1 75 75 LEU CD1 C 13 23.64609822 0.01045164624 . 2 . . . . . 75 LEU CD1 . 53484 1 375 . 1 . 1 75 75 LEU N N 15 126.844706 0.3279711238 . 1 . . . . . 75 LEU N . 53484 1 376 . 1 . 1 76 76 LYS C C 13 173.9988921 0.1099485418 . 1 . . . . . 76 LYS C . 53484 1 377 . 1 . 1 76 76 LYS CA C 13 54.81095032 0.046044042 . 1 . . . . . 76 LYS CA . 53484 1 378 . 1 . 1 76 76 LYS CB C 13 34.37152095 0.09346594023 . 1 . . . . . 76 LYS CB . 53484 1 379 . 1 . 1 76 76 LYS CG C 13 25.05295823 0.01092749719 . 1 . . . . . 76 LYS CG . 53484 1 380 . 1 . 1 76 76 LYS N N 15 128.805396 0.1441193813 . 1 . . . . . 76 LYS N . 53484 1 381 . 1 . 1 77 77 VAL C C 13 176.4568654 0.0406309245 . 1 . . . . . 77 VAL C . 53484 1 382 . 1 . 1 77 77 VAL CA C 13 61.1823705 0.07315395816 . 1 . . . . . 77 VAL CA . 53484 1 383 . 1 . 1 77 77 VAL CB C 13 33.7394064 0.02806032874 . 1 . . . . . 77 VAL CB . 53484 1 384 . 1 . 1 77 77 VAL CG1 C 13 22.04293855 0.03567971573 . 2 . . . . . 77 VAL CG1 . 53484 1 385 . 1 . 1 77 77 VAL N N 15 122.7260693 0.1246939938 . 1 . . . . . 77 VAL N . 53484 1 386 . 1 . 1 78 78 VAL C C 13 174.1020002 0.03690320775 . 1 . . . . . 78 VAL C . 53484 1 387 . 1 . 1 78 78 VAL CA C 13 62.40132301 0.1050603513 . 1 . . . . . 78 VAL CA . 53484 1 388 . 1 . 1 78 78 VAL CB C 13 32.30076269 0.02142391212 . 1 . . . . . 78 VAL CB . 53484 1 389 . 1 . 1 78 78 VAL CG1 C 13 21.58129555 0.003416367348 . 2 . . . . . 78 VAL CG1 . 53484 1 390 . 1 . 1 78 78 VAL N N 15 128.0418221 0.1694484225 . 1 . . . . . 78 VAL N . 53484 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53484 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name Lyoph_rehydr_13C_15N _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 4 '2D 13C-13C DARR' . . . 53484 2 5 '2D 15N-13C ZF TEDOR' . . . 53484 2 6 '3D 15N-13C-13C ZF TEDOR DARR' . . . 53484 2 7 '3D NCOCX' . . . 53484 2 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 $software_1 . . 53484 2 2 $software_2 . . 53484 2 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 6 6 THR C C 13 172.1905504 0.04621546852 . 1 . . . . . 6 THR C . 53484 2 2 . 1 . 1 6 6 THR CA C 13 62.60770493 0.04604417951 . 1 . . . . . 6 THR CA . 53484 2 3 . 1 . 1 6 6 THR CB C 13 69.61406713 0.06904886302 . 1 . . . . . 6 THR CB . 53484 2 4 . 1 . 1 6 6 THR CG2 C 13 22.48788921 0.02482517731 . 1 . . . . . 6 THR CG2 . 53484 2 5 . 1 . 1 6 6 THR N N 15 122.1966393 0.04842896717 . 1 . . . . . 6 THR N . 53484 2 6 . 1 . 1 7 7 VAL C C 13 173.9844137 0.05140478305 . 1 . . . . . 7 VAL C . 53484 2 7 . 1 . 1 7 7 VAL CA C 13 60.29524436 0.07724876394 . 1 . . . . . 7 VAL CA . 53484 2 8 . 1 . 1 7 7 VAL CB C 13 33.22405611 0.06211165592 . 1 . . . . . 7 VAL CB . 53484 2 9 . 1 . 1 7 7 VAL CG1 C 13 21.61821432 0.04677178356 . 2 . . . . . 7 VAL CG1 . 53484 2 10 . 1 . 1 7 7 VAL N N 15 127.0352615 0.152193981 . 1 . . . . . 7 VAL N . 53484 2 11 . 1 . 1 8 8 HIS C C 13 175.6573221 0.1509045529 . 1 . . . . . 8 HIS C . 53484 2 12 . 1 . 1 8 8 HIS CA C 13 53.6883139 0.0315786981 . 1 . . . . . 8 HIS CA . 53484 2 13 . 1 . 1 8 8 HIS CB C 13 32.5956192 0.0235520026 . 1 . . . . . 8 HIS CB . 53484 2 14 . 1 . 1 8 8 HIS CG C 13 136.9783363 0.1655992373 . 1 . . . . . 8 HIS CG . 53484 2 15 . 1 . 1 8 8 HIS N N 15 125.3963149 0.1009329827 . 1 . . . . . 8 HIS N . 53484 2 16 . 1 . 1 9 9 VAL C C 13 175.931883 0.08941945862 . 1 . . . . . 9 VAL C . 53484 2 17 . 1 . 1 9 9 VAL CA C 13 61.45304686 0.06424495705 . 1 . . . . . 9 VAL CA . 53484 2 18 . 1 . 1 9 9 VAL CB C 13 33.74935398 0.04743791004 . 1 . . . . . 9 VAL CB . 53484 2 19 . 1 . 1 9 9 VAL CG1 C 13 23.24736271 0.09813950865 . 1 . . . . . 9 VAL CG1 . 53484 2 20 . 1 . 1 9 9 VAL CG2 C 13 21.57329598 0.09739952264 . 1 . . . . . 9 VAL CG2 . 53484 2 21 . 1 . 1 9 9 VAL N N 15 121.9475373 0.1480668236 . 1 . . . . . 9 VAL N . 53484 2 22 . 1 . 1 10 10 ARG C C 13 174.1697711 0.1211798178 . 1 . . . . . 10 ARG C . 53484 2 23 . 1 . 1 10 10 ARG CA C 13 54.92016676 0.1487403236 . 1 . . . . . 10 ARG CA . 53484 2 24 . 1 . 1 10 10 ARG CB C 13 32.66324001 0.06671334924 . 1 . . . . . 10 ARG CB . 53484 2 25 . 1 . 1 10 10 ARG N N 15 129.712541 0.2885148908 . 1 . . . . . 10 ARG N . 53484 2 26 . 1 . 1 11 11 SER C C 13 173.4281388 0.1310613289 . 1 . . . . . 11 SER C . 53484 2 27 . 1 . 1 11 11 SER CA C 13 58.1971518 0.08941400634 . 1 . . . . . 11 SER CA . 53484 2 28 . 1 . 1 11 11 SER CB C 13 67.1656192 0.08618017501 . 1 . . . . . 11 SER CB . 53484 2 29 . 1 . 1 11 11 SER N N 15 114.3110599 0.2325926374 . 1 . . . . . 11 SER N . 53484 2 30 . 1 . 1 12 12 GLU C C 13 173.440191 . . 1 . . . . . 12 GLU C . 53484 2 31 . 1 . 1 12 12 GLU CA C 13 58.47920284 0.0272901574 . 1 . . . . . 12 GLU CA . 53484 2 32 . 1 . 1 12 12 GLU CB C 13 30.21058378 0.01539033264 . 1 . . . . . 12 GLU CB . 53484 2 33 . 1 . 1 12 12 GLU CG C 13 38.84903505 . . 1 . . . . . 12 GLU CG . 53484 2 34 . 1 . 1 12 12 GLU CD C 13 182.8569335 . . 1 . . . . . 12 GLU CD . 53484 2 35 . 1 . 1 12 12 GLU N N 15 119.4864341 0.1985150336 . 1 . . . . . 12 GLU N . 53484 2 36 . 1 . 1 13 13 GLU C C 13 176.0552234 0.05635118846 . 1 . . . . . 13 GLU C . 53484 2 37 . 1 . 1 13 13 GLU CA C 13 57.38681702 0.02511164195 . 1 . . . . . 13 GLU CA . 53484 2 38 . 1 . 1 13 13 GLU CB C 13 28.47028701 0.1064512992 . 1 . . . . . 13 GLU CB . 53484 2 39 . 1 . 1 13 13 GLU CG C 13 36.60252532 0.02770005282 . 1 . . . . . 13 GLU CG . 53484 2 40 . 1 . 1 13 13 GLU CD C 13 183.3389325 0.1003627815 . 1 . . . . . 13 GLU CD . 53484 2 41 . 1 . 1 13 13 GLU N N 15 115.8577032 0.04703944658 . 1 . . . . . 13 GLU N . 53484 2 42 . 1 . 1 14 14 TRP C C 13 180.2855459 0.001457758497 . 1 . . . . . 14 TRP C . 53484 2 43 . 1 . 1 14 14 TRP CA C 13 59.0769711 0.0834709545 . 1 . . . . . 14 TRP CA . 53484 2 44 . 1 . 1 14 14 TRP CB C 13 31.56989809 0.2045595321 . 1 . . . . . 14 TRP CB . 53484 2 45 . 1 . 1 14 14 TRP CG C 13 114.2889702 0.1500395467 . 1 . . . . . 14 TRP CG . 53484 2 46 . 1 . 1 14 14 TRP CD1 C 13 126.5887226 0.2556619486 . 1 . . . . . 14 TRP CD1 . 53484 2 47 . 1 . 1 14 14 TRP CD2 C 13 124.7213177 0.05096016527 . 1 . . . . . 14 TRP CD2 . 53484 2 48 . 1 . 1 14 14 TRP CE2 C 13 138.5408929 0.1352343323 . 1 . . . . . 14 TRP CE2 . 53484 2 49 . 1 . 1 14 14 TRP N N 15 118.951646 0.1445724826 . 1 . . . . . 14 TRP N . 53484 2 50 . 1 . 1 14 14 TRP NE1 N 15 128.8188474 0.1466125915 . 1 . . . . . 14 TRP NE1 . 53484 2 51 . 1 . 1 16 16 LEU C C 13 176.0089492 0.0721723111 . 1 . . . . . 16 LEU C . 53484 2 52 . 1 . 1 16 16 LEU CA C 13 57.04242968 0.07594626781 . 1 . . . . . 16 LEU CA . 53484 2 53 . 1 . 1 16 16 LEU CB C 13 42.93741781 0.13407909 . 1 . . . . . 16 LEU CB . 53484 2 54 . 1 . 1 16 16 LEU CG C 13 26.61196166 0.07178497418 . 1 . . . . . 16 LEU CG . 53484 2 55 . 1 . 1 16 16 LEU N N 15 123.8579231 0.1496216424 . 1 . . . . . 16 LEU N . 53484 2 56 . 1 . 1 17 17 MET C C 13 174.362273 0.06800621973 . 1 . . . . . 17 MET C . 53484 2 57 . 1 . 1 17 17 MET CA C 13 53.94761896 0.06074786964 . 1 . . . . . 17 MET CA . 53484 2 58 . 1 . 1 17 17 MET CB C 13 37.66133907 0.03309874572 . 1 . . . . . 17 MET CB . 53484 2 59 . 1 . 1 17 17 MET CG C 13 32.60227929 0.05913633718 . 1 . . . . . 17 MET CG . 53484 2 60 . 1 . 1 17 17 MET N N 15 125.4334088 0.1710704488 . 1 . . . . . 17 MET N . 53484 2 61 . 1 . 1 18 18 THR C C 13 172.9991561 0.03902662272 . 1 . . . . . 18 THR C . 53484 2 62 . 1 . 1 18 18 THR CA C 13 61.45713735 0.01130638379 . 1 . . . . . 18 THR CA . 53484 2 63 . 1 . 1 18 18 THR CB C 13 71.73190056 0.02357103022 . 1 . . . . . 18 THR CB . 53484 2 64 . 1 . 1 18 18 THR CG2 C 13 22.32469432 0.01088582741 . 1 . . . . . 18 THR CG2 . 53484 2 65 . 1 . 1 18 18 THR N N 15 118.6672541 0.0791230279 . 1 . . . . . 18 THR N . 53484 2 66 . 1 . 1 20 20 ASP C C 13 175.6078663 0.1287363516 . 1 . . . . . 20 ASP C . 53484 2 67 . 1 . 1 20 20 ASP CA C 13 53.99908293 0.1500666331 . 1 . . . . . 20 ASP CA . 53484 2 68 . 1 . 1 20 20 ASP CB C 13 41.42545753 0.07124844254 . 1 . . . . . 20 ASP CB . 53484 2 69 . 1 . 1 20 20 ASP CG C 13 179.8530501 0.1342625799 . 1 . . . . . 20 ASP CG . 53484 2 70 . 1 . 1 20 20 ASP N N 15 121.6056644 0.1240555587 . 1 . . . . . 20 ASP N . 53484 2 71 . 1 . 1 21 21 ALA C C 13 174.5292168 0.09709710146 . 1 . . . . . 21 ALA C . 53484 2 72 . 1 . 1 21 21 ALA CA C 13 50.83936892 0.0820286781 . 1 . . . . . 21 ALA CA . 53484 2 73 . 1 . 1 21 21 ALA CB C 13 22.3890518 0.1014885664 . 1 . . . . . 21 ALA CB . 53484 2 74 . 1 . 1 21 21 ALA N N 15 122.6836921 0.1784617592 . 1 . . . . . 21 ALA N . 53484 2 75 . 1 . 1 22 22 ASN C C 13 174.586876 0.09869631709 . 5 . . . . . 22 ASN C . 53484 2 76 . 1 . 1 23 23 PRO C C 13 175.016027 0.1530741045 . 5 . . . . . 23 PRO C . 53484 2 77 . 1 . 1 23 23 PRO CA C 13 65.05220724 0.1233560326 . 5 . . . . . 23 PRO CA . 53484 2 78 . 1 . 1 23 23 PRO CB C 13 31.97386387 0.2173028843 . 5 . . . . . 23 PRO CB . 53484 2 79 . 1 . 1 23 23 PRO CG C 13 28.3473211 0.03617631889 . 5 . . . . . 23 PRO CG . 53484 2 80 . 1 . 1 23 23 PRO CD C 13 50.87079044 0.1077117096 . 5 . . . . . 23 PRO CD . 53484 2 81 . 1 . 1 23 23 PRO N N 15 135.3497298 0.3200527026 . 5 . . . . . 23 PRO N . 53484 2 82 . 1 . 1 24 24 TYR C C 13 174.6510639 0.3914172912 . 1 . . . . . 24 TYR C . 53484 2 83 . 1 . 1 24 24 TYR CA C 13 54.39435873 . . 1 . . . . . 24 TYR CA . 53484 2 84 . 1 . 1 25 25 ASP C C 13 175.5829284 0.13572529 . 1 . . . . . 25 ASP C . 53484 2 85 . 1 . 1 25 25 ASP CA C 13 55.16227693 0.1037750252 . 1 . . . . . 25 ASP CA . 53484 2 86 . 1 . 1 25 25 ASP CB C 13 41.56020205 0.06317547413 . 1 . . . . . 25 ASP CB . 53484 2 87 . 1 . 1 25 25 ASP CG C 13 179.6646227 0.04534886402 . 1 . . . . . 25 ASP CG . 53484 2 88 . 1 . 1 25 25 ASP N N 15 122.7332498 0.172552306 . 1 . . . . . 25 ASP N . 53484 2 89 . 1 . 1 26 26 SER C C 13 175.4040125 0.1210613785 . 1 . . . . . 26 SER C . 53484 2 90 . 1 . 1 26 26 SER CA C 13 57.0433122 0.1133796564 . 1 . . . . . 26 SER CA . 53484 2 91 . 1 . 1 26 26 SER CB C 13 64.93419735 0.03934993018 . 1 . . . . . 26 SER CB . 53484 2 92 . 1 . 1 26 26 SER N N 15 115.7020496 0.1916283052 . 1 . . . . . 26 SER N . 53484 2 93 . 1 . 1 27 27 VAL C C 13 178.7047498 0.07775010424 . 1 . . . . . 27 VAL C . 53484 2 94 . 1 . 1 27 27 VAL CA C 13 66.43370935 0.05965142474 . 1 . . . . . 27 VAL CA . 53484 2 95 . 1 . 1 27 27 VAL CB C 13 30.98452805 0.02373228615 . 1 . . . . . 27 VAL CB . 53484 2 96 . 1 . 1 27 27 VAL CG1 C 13 24.29448521 0.03646014625 . 1 . . . . . 27 VAL CG1 . 53484 2 97 . 1 . 1 27 27 VAL CG2 C 13 21.14787335 0.04590132102 . 1 . . . . . 27 VAL CG2 . 53484 2 98 . 1 . 1 27 27 VAL N N 15 122.9510526 0.08730738321 . 1 . . . . . 27 VAL N . 53484 2 99 . 1 . 1 28 28 LYS C C 13 177.1114168 0.03823637994 . 1 . . . . . 28 LYS C . 53484 2 100 . 1 . 1 28 28 LYS CA C 13 59.95384792 0.1116502341 . 1 . . . . . 28 LYS CA . 53484 2 101 . 1 . 1 28 28 LYS CB C 13 32.04549671 0.1089984296 . 1 . . . . . 28 LYS CB . 53484 2 102 . 1 . 1 28 28 LYS CG C 13 24.98919697 0.09835525172 . 1 . . . . . 28 LYS CG . 53484 2 103 . 1 . 1 28 28 LYS N N 15 121.4746917 0.2164340821 . 1 . . . . . 28 LYS N . 53484 2 104 . 1 . 1 29 29 LYS C C 13 178.7990531 0.08995806697 . 1 . . . . . 29 LYS C . 53484 2 105 . 1 . 1 29 29 LYS CA C 13 58.88938858 0.09048685614 . 1 . . . . . 29 LYS CA . 53484 2 106 . 1 . 1 29 29 LYS CB C 13 31.59987457 0.0253450097 . 1 . . . . . 29 LYS CB . 53484 2 107 . 1 . 1 29 29 LYS CG C 13 24.7167333 . . 1 . . . . . 29 LYS CG . 53484 2 108 . 1 . 1 29 29 LYS N N 15 119.8706157 0.1375765661 . 1 . . . . . 29 LYS N . 53484 2 109 . 1 . 1 30 30 ILE C C 13 178.6655654 0.09810980208 . 1 . . . . . 30 ILE C . 53484 2 110 . 1 . 1 30 30 ILE CA C 13 62.71229139 0.04195284138 . 1 . . . . . 30 ILE CA . 53484 2 111 . 1 . 1 30 30 ILE CB C 13 33.77968259 0.05618476973 . 1 . . . . . 30 ILE CB . 53484 2 112 . 1 . 1 30 30 ILE CG1 C 13 27.08619577 0.1393151003 . 1 . . . . . 30 ILE CG1 . 53484 2 113 . 1 . 1 30 30 ILE CG2 C 13 17.95655807 0.1159217307 . 1 . . . . . 30 ILE CG2 . 53484 2 114 . 1 . 1 30 30 ILE CD1 C 13 8.845963269 0.1463399496 . 1 . . . . . 30 ILE CD1 . 53484 2 115 . 1 . 1 30 30 ILE N N 15 117.258905 0.1242434375 . 1 . . . . . 30 ILE N . 53484 2 116 . 1 . 1 31 31 LYS C C 13 180.3408497 0.1491084328 . 1 . . . . . 31 LYS C . 53484 2 117 . 1 . 1 31 31 LYS CA C 13 59.1997805 0.1183426468 . 1 . . . . . 31 LYS CA . 53484 2 118 . 1 . 1 31 31 LYS CB C 13 33.87786661 0.06482617797 . 1 . . . . . 31 LYS CB . 53484 2 119 . 1 . 1 31 31 LYS CG C 13 26.59312493 0.1307417836 . 1 . . . . . 31 LYS CG . 53484 2 120 . 1 . 1 31 31 LYS CD C 13 28.35052672 0.04596510196 . 1 . . . . . 31 LYS CD . 53484 2 121 . 1 . 1 31 31 LYS N N 15 118.8792184 0.15666987 . 1 . . . . . 31 LYS N . 53484 2 122 . 1 . 1 32 32 GLU C C 13 179.0078535 0.04856441221 . 1 . . . . . 32 GLU C . 53484 2 123 . 1 . 1 32 32 GLU CA C 13 59.42982015 0.1068302578 . 1 . . . . . 32 GLU CA . 53484 2 124 . 1 . 1 32 32 GLU CB C 13 28.53436886 0.07991161401 . 1 . . . . . 32 GLU CB . 53484 2 125 . 1 . 1 32 32 GLU CG C 13 36.80803031 0.01572407832 . 1 . . . . . 32 GLU CG . 53484 2 126 . 1 . 1 32 32 GLU CD C 13 179.8943018 0.008839678592 . 1 . . . . . 32 GLU CD . 53484 2 127 . 1 . 1 32 32 GLU N N 15 121.7012501 0.2312107285 . 1 . . . . . 32 GLU N . 53484 2 128 . 1 . 1 34 34 VAL C C 13 180.7243307 0.06758654032 . 1 . . . . . 34 VAL C . 53484 2 129 . 1 . 1 34 34 VAL CA C 13 66.53370023 0.090360755 . 1 . . . . . 34 VAL CA . 53484 2 130 . 1 . 1 34 34 VAL CB C 13 30.9080363 0.04760395027 . 1 . . . . . 34 VAL CB . 53484 2 131 . 1 . 1 34 34 VAL CG1 C 13 23.17367208 0.08195512285 . 1 . . . . . 34 VAL CG1 . 53484 2 132 . 1 . 1 34 34 VAL CG2 C 13 22.44779437 0.03300715274 . 1 . . . . . 34 VAL CG2 . 53484 2 133 . 1 . 1 34 34 VAL N N 15 120.9231489 0.07763397007 . 1 . . . . . 34 VAL N . 53484 2 134 . 1 . 1 35 35 ARG C C 13 178.7017004 0.09610627302 . 1 . . . . . 35 ARG C . 53484 2 135 . 1 . 1 35 35 ARG CA C 13 59.31778431 0.06202127417 . 1 . . . . . 35 ARG CA . 53484 2 136 . 1 . 1 35 35 ARG CB C 13 29.69669002 0.05468050814 . 1 . . . . . 35 ARG CB . 53484 2 137 . 1 . 1 35 35 ARG CG C 13 25.74555988 0.111744032 . 1 . . . . . 35 ARG CG . 53484 2 138 . 1 . 1 35 35 ARG N N 15 125.9385299 0.08632493024 . 1 . . . . . 35 ARG N . 53484 2 139 . 1 . 1 36 36 SER C C 13 175.47142 0.05619966739 . 1 . . . . . 36 SER C . 53484 2 140 . 1 . 1 36 36 SER CA C 13 61.63624908 0.1132223162 . 1 . . . . . 36 SER CA . 53484 2 141 . 1 . 1 36 36 SER CB C 13 62.93914169 0.06184323891 . 1 . . . . . 36 SER CB . 53484 2 142 . 1 . 1 36 36 SER N N 15 116.2586525 0.1448384558 . 1 . . . . . 36 SER N . 53484 2 143 . 1 . 1 37 37 LYS C C 13 177.6075248 0.0913756904 . 1 . . . . . 37 LYS C . 53484 2 144 . 1 . 1 37 37 LYS CA C 13 57.1452514 0.1336711816 . 1 . . . . . 37 LYS CA . 53484 2 145 . 1 . 1 37 37 LYS CB C 13 34.45220099 0.2544731705 . 1 . . . . . 37 LYS CB . 53484 2 146 . 1 . 1 37 37 LYS N N 15 116.7356641 0.09395933945 . 1 . . . . . 37 LYS N . 53484 2 147 . 1 . 1 38 38 THR C C 13 175.2437272 0.07710507715 . 1 . . . . . 38 THR C . 53484 2 148 . 1 . 1 38 38 THR CA C 13 62.53070462 0.06519819398 . 1 . . . . . 38 THR CA . 53484 2 149 . 1 . 1 38 38 THR CB C 13 72.60360594 0.02984876421 . 1 . . . . . 38 THR CB . 53484 2 150 . 1 . 1 38 38 THR CG2 C 13 20.50302165 0.05984853017 . 1 . . . . . 38 THR CG2 . 53484 2 151 . 1 . 1 38 38 THR N N 15 106.5106421 0.1270024757 . 1 . . . . . 38 THR N . 53484 2 152 . 1 . 1 39 39 LYS C C 13 175.6986109 0.06691826179 . 1 . . . . . 39 LYS C . 53484 2 153 . 1 . 1 39 39 LYS CA C 13 57.14782177 0.06168950864 . 1 . . . . . 39 LYS CA . 53484 2 154 . 1 . 1 39 39 LYS CB C 13 29.35745005 0.04071485753 . 1 . . . . . 39 LYS CB . 53484 2 155 . 1 . 1 39 39 LYS CG C 13 25.38599926 0.06130955307 . 1 . . . . . 39 LYS CG . 53484 2 156 . 1 . 1 39 39 LYS CD C 13 28.22798729 0.008024215698 . 1 . . . . . 39 LYS CD . 53484 2 157 . 1 . 1 39 39 LYS N N 15 115.8357386 0.1489497331 . 1 . . . . . 39 LYS N . 53484 2 158 . 1 . 1 40 40 VAL C C 13 173.9881345 0.08993473961 . 1 . . . . . 40 VAL C . 53484 2 159 . 1 . 1 40 40 VAL CA C 13 60.74174266 0.08107518247 . 1 . . . . . 40 VAL CA . 53484 2 160 . 1 . 1 40 40 VAL CB C 13 32.74214901 0.04442189723 . 1 . . . . . 40 VAL CB . 53484 2 161 . 1 . 1 40 40 VAL CG1 C 13 23.03582342 0.06448776618 . 1 . . . . . 40 VAL CG1 . 53484 2 162 . 1 . 1 40 40 VAL CG2 C 13 22.75407441 0.08216180713 . 1 . . . . . 40 VAL CG2 . 53484 2 163 . 1 . 1 40 40 VAL N N 15 123.9948785 0.2357660535 . 1 . . . . . 40 VAL N . 53484 2 164 . 1 . 1 41 41 PRO C C 13 178.6496249 0.1235683697 . 1 . . . . . 41 PRO C . 53484 2 165 . 1 . 1 41 41 PRO CA C 13 62.88087068 0.05301359526 . 1 . . . . . 41 PRO CA . 53484 2 166 . 1 . 1 41 41 PRO CB C 13 33.0890913 0.07434084791 . 1 . . . . . 41 PRO CB . 53484 2 167 . 1 . 1 41 41 PRO CG C 13 28.30343076 0.03877605997 . 1 . . . . . 41 PRO CG . 53484 2 168 . 1 . 1 41 41 PRO CD C 13 51.50687414 0.06064077085 . 1 . . . . . 41 PRO CD . 53484 2 169 . 1 . 1 41 41 PRO N N 15 138.8570857 0.1300491958 . 1 . . . . . 41 PRO N . 53484 2 170 . 1 . 1 44 44 ASP C C 13 174.2272429 0.06016273185 . 1 . . . . . 44 ASP C . 53484 2 171 . 1 . 1 44 44 ASP CA C 13 53.82095127 0.05807075871 . 1 . . . . . 44 ASP CA . 53484 2 172 . 1 . 1 44 44 ASP CB C 13 41.30039602 0.06682496934 . 1 . . . . . 44 ASP CB . 53484 2 173 . 1 . 1 44 44 ASP CG C 13 178.9723753 0.09330467751 . 1 . . . . . 44 ASP CG . 53484 2 174 . 1 . 1 44 44 ASP N N 15 119.2504077 0.1209048813 . 1 . . . . . 44 ASP N . 53484 2 175 . 1 . 1 45 45 GLN C C 13 174.0143213 0.01378058186 . 1 . . . . . 45 GLN C . 53484 2 176 . 1 . 1 45 45 GLN CA C 13 55.11449562 0.06382093766 . 1 . . . . . 45 GLN CA . 53484 2 177 . 1 . 1 45 45 GLN CB C 13 32.59505562 0.09844327437 . 1 . . . . . 45 GLN CB . 53484 2 178 . 1 . 1 45 45 GLN CG C 13 32.68109933 0.03646552292 . 1 . . . . . 45 GLN CG . 53484 2 179 . 1 . 1 45 45 GLN CD C 13 175.7422741 0.08128170187 . 1 . . . . . 45 GLN CD . 53484 2 180 . 1 . 1 45 45 GLN N N 15 117.5235612 0.1358439152 . 1 . . . . . 45 GLN N . 53484 2 181 . 1 . 1 45 45 GLN NE2 N 15 102.9792997 0.04017645634 . 1 . . . . . 45 GLN NE2 . 53484 2 182 . 1 . 1 46 46 VAL C C 13 174.195589 0.1459906499 . 1 . . . . . 46 VAL C . 53484 2 183 . 1 . 1 46 46 VAL CA C 13 61.77956685 0.04899823558 . 1 . . . . . 46 VAL CA . 53484 2 184 . 1 . 1 46 46 VAL CB C 13 33.93588464 0.03302227792 . 1 . . . . . 46 VAL CB . 53484 2 185 . 1 . 1 46 46 VAL CG1 C 13 21.77455504 0.05758334316 . 2 . . . . . 46 VAL CG1 . 53484 2 186 . 1 . 1 46 46 VAL N N 15 123.5240822 0.03865493801 . 1 . . . . . 46 VAL N . 53484 2 187 . 1 . 1 47 47 LEU C C 13 175.1966003 0.0413583833 . 1 . . . . . 47 LEU C . 53484 2 188 . 1 . 1 47 47 LEU CA C 13 52.60841644 0.03554224114 . 1 . . . . . 47 LEU CA . 53484 2 189 . 1 . 1 47 47 LEU CB C 13 45.21617455 0.03783082677 . 1 . . . . . 47 LEU CB . 53484 2 190 . 1 . 1 47 47 LEU CG C 13 27.07654714 0.07643367029 . 1 . . . . . 47 LEU CG . 53484 2 191 . 1 . 1 47 47 LEU N N 15 126.0783391 0.05721090351 . 1 . . . . . 47 LEU N . 53484 2 192 . 1 . 1 48 48 LEU C C 13 176.1394691 0.01857854089 . 1 . . . . . 48 LEU C . 53484 2 193 . 1 . 1 48 48 LEU CA C 13 54.40883622 0.090345652 . 1 . . . . . 48 LEU CA . 53484 2 194 . 1 . 1 48 48 LEU CB C 13 45.00152152 0.02127334131 . 1 . . . . . 48 LEU CB . 53484 2 195 . 1 . 1 48 48 LEU CG C 13 27.98154559 0.04165312962 . 1 . . . . . 48 LEU CG . 53484 2 196 . 1 . 1 48 48 LEU N N 15 119.9666071 0.1571712447 . 1 . . . . . 48 LEU N . 53484 2 197 . 1 . 1 49 49 LEU C C 13 176.8935867 0.1271697521 . 1 . . . . . 49 LEU C . 53484 2 198 . 1 . 1 49 49 LEU CA C 13 52.65298077 0.05136319452 . 1 . . . . . 49 LEU CA . 53484 2 199 . 1 . 1 49 49 LEU CB C 13 44.8548042 0.03811459617 . 1 . . . . . 49 LEU CB . 53484 2 200 . 1 . 1 49 49 LEU CG C 13 27.16492232 0.1112940932 . 1 . . . . . 49 LEU CG . 53484 2 201 . 1 . 1 49 49 LEU CD1 C 13 24.23222277 0.1170707644 . 1 . . . . . 49 LEU CD1 . 53484 2 202 . 1 . 1 49 49 LEU CD2 C 13 24.23101933 0.1095559508 . 1 . . . . . 49 LEU CD2 . 53484 2 203 . 1 . 1 49 49 LEU N N 15 122.6038528 0.3433058828 . 1 . . . . . 49 LEU N . 53484 2 204 . 1 . 1 50 50 GLY C C 13 174.2591745 0.06503022604 . 1 . . . . . 50 GLY C . 53484 2 205 . 1 . 1 50 50 GLY CA C 13 47.27463536 0.1527943558 . 1 . . . . . 50 GLY CA . 53484 2 206 . 1 . 1 50 50 GLY N N 15 118.599503 0.3788473153 . 1 . . . . . 50 GLY N . 53484 2 207 . 1 . 1 51 51 SER C C 13 173.1975775 0.0912655354 . 1 . . . . . 51 SER C . 53484 2 208 . 1 . 1 51 51 SER CA C 13 58.28003203 0.09505988961 . 1 . . . . . 51 SER CA . 53484 2 209 . 1 . 1 51 51 SER CB C 13 64.072699 0.08286255726 . 1 . . . . . 51 SER CB . 53484 2 210 . 1 . 1 51 51 SER N N 15 123.0135045 0.1933800267 . 1 . . . . . 51 SER N . 53484 2 211 . 1 . 1 53 53 ILE C C 13 176.0594557 0.07889923081 . 1 . . . . . 53 ILE C . 53484 2 212 . 1 . 1 53 53 ILE CA C 13 62.26044187 0.07832513687 . 1 . . . . . 53 ILE CA . 53484 2 213 . 1 . 1 53 53 ILE CB C 13 38.08049745 0.02971780418 . 1 . . . . . 53 ILE CB . 53484 2 214 . 1 . 1 53 53 ILE CG1 C 13 28.59789193 0.07127779248 . 1 . . . . . 53 ILE CG1 . 53484 2 215 . 1 . 1 53 53 ILE CG2 C 13 18.07946026 0.03990646941 . 1 . . . . . 53 ILE CG2 . 53484 2 216 . 1 . 1 53 53 ILE CD1 C 13 14.4540529 0.08409516795 . 1 . . . . . 53 ILE CD1 . 53484 2 217 . 1 . 1 53 53 ILE N N 15 126.9084152 0.1418214377 . 1 . . . . . 53 ILE N . 53484 2 218 . 1 . 1 54 54 LEU C C 13 174.3645325 0.01430646356 . 1 . . . . . 54 LEU C . 53484 2 219 . 1 . 1 54 54 LEU CA C 13 53.66167051 0.05049728975 . 1 . . . . . 54 LEU CA . 53484 2 220 . 1 . 1 54 54 LEU CB C 13 42.72853996 0.06099644894 . 1 . . . . . 54 LEU CB . 53484 2 221 . 1 . 1 54 54 LEU CG C 13 25.80605044 0.03144494398 . 1 . . . . . 54 LEU CG . 53484 2 222 . 1 . 1 54 54 LEU CD1 C 13 19.6484874 0.01812167109 . 2 . . . . . 54 LEU CD1 . 53484 2 223 . 1 . 1 54 54 LEU N N 15 128.0702046 0.03894212712 . 1 . . . . . 54 LEU N . 53484 2 224 . 1 . 1 55 55 LYS C C 13 175.9589658 0.0888080913 . 5 . . . . . 55 LYS C . 53484 2 225 . 1 . 1 55 55 LYS CA C 13 52.79587611 . . 5 . . . . . 55 LYS CA . 53484 2 226 . 1 . 1 56 56 PRO C C 13 176.6357259 0.1123847953 . 5 . . . . . 56 PRO C . 53484 2 227 . 1 . 1 56 56 PRO CA C 13 65.02548724 0.07327413497 . 5 . . . . . 56 PRO CA . 53484 2 228 . 1 . 1 56 56 PRO CB C 13 33.45663575 0.1611337994 . 5 . . . . . 56 PRO CB . 53484 2 229 . 1 . 1 56 56 PRO CG C 13 28.78792987 0.009472940757 . 5 . . . . . 56 PRO CG . 53484 2 230 . 1 . 1 56 56 PRO CD C 13 50.96132491 0.02424576818 . 5 . . . . . 56 PRO CD . 53484 2 231 . 1 . 1 56 56 PRO N N 15 133.1818329 0.2834482928 . 5 . . . . . 56 PRO N . 53484 2 232 . 1 . 1 57 57 ARG C C 13 177.1446593 0.1366420632 . 1 . . . . . 57 ARG C . 53484 2 233 . 1 . 1 57 57 ARG CA C 13 56.49382902 0.2344244304 . 1 . . . . . 57 ARG CA . 53484 2 234 . 1 . 1 57 57 ARG CB C 13 29.82317111 0.08402666221 . 1 . . . . . 57 ARG CB . 53484 2 235 . 1 . 1 57 57 ARG N N 15 111.6031847 0.2028589101 . 1 . . . . . 57 ARG N . 53484 2 236 . 1 . 1 58 58 ARG C C 13 175.7937185 0.07274897142 . 1 . . . . . 58 ARG C . 53484 2 237 . 1 . 1 58 58 ARG CA C 13 55.4004603 0.06200167224 . 1 . . . . . 58 ARG CA . 53484 2 238 . 1 . 1 58 58 ARG CB C 13 32.02853401 0.02425392303 . 1 . . . . . 58 ARG CB . 53484 2 239 . 1 . 1 58 58 ARG CG C 13 28.01394888 . . 1 . . . . . 58 ARG CG . 53484 2 240 . 1 . 1 58 58 ARG N N 15 119.1219339 0.2628184978 . 1 . . . . . 58 ARG N . 53484 2 241 . 1 . 1 59 59 SER C C 13 177.8123525 0.04269178471 . 1 . . . . . 59 SER C . 53484 2 242 . 1 . 1 59 59 SER CA C 13 56.61641231 0.09661487799 . 1 . . . . . 59 SER CA . 53484 2 243 . 1 . 1 59 59 SER CB C 13 65.28771944 0.02033153576 . 1 . . . . . 59 SER CB . 53484 2 244 . 1 . 1 59 59 SER N N 15 113.8565992 0.1133288926 . 1 . . . . . 59 SER N . 53484 2 245 . 1 . 1 60 60 LEU C C 13 180.3707208 0.08801368571 . 1 . . . . . 60 LEU C . 53484 2 246 . 1 . 1 60 60 LEU CA C 13 58.93304545 0.1098435668 . 1 . . . . . 60 LEU CA . 53484 2 247 . 1 . 1 60 60 LEU CB C 13 40.11704722 0.07770094326 . 1 . . . . . 60 LEU CB . 53484 2 248 . 1 . 1 60 60 LEU CG C 13 26.72411359 0.05243054417 . 1 . . . . . 60 LEU CG . 53484 2 249 . 1 . 1 60 60 LEU CD1 C 13 22.08540534 0.01614149006 . 2 . . . . . 60 LEU CD1 . 53484 2 250 . 1 . 1 60 60 LEU N N 15 123.519979 0.2050552891 . 1 . . . . . 60 LEU N . 53484 2 251 . 1 . 1 61 61 SER C C 13 175.49381 0.1094856069 . 9 . . . . . 61 SER C . 53484 2 252 . 1 . 1 61 61 SER CA C 13 57.28241002 0.2011926639 . 9 . . . . . 61 SER CA . 53484 2 253 . 1 . 1 61 61 SER CB C 13 64.72041702 0.02647018433 . 9 . . . . . 61 SER CB . 53484 2 254 . 1 . 1 61 61 SER N N 15 114.7082641 0.1550427475 . 9 . . . . . 61 SER N . 53484 2 255 . 1 . 1 62 62 SER C C 13 175.2647212 0.07060852987 . 1 . . . . . 62 SER C . 53484 2 256 . 1 . 1 62 62 SER CA C 13 61.10678955 0.03910280034 . 1 . . . . . 62 SER CA . 53484 2 257 . 1 . 1 62 62 SER CB C 13 63.32610824 0.06956450392 . 1 . . . . . 62 SER CB . 53484 2 258 . 1 . 1 62 62 SER N N 15 115.9179124 0.2606785913 . 1 . . . . . 62 SER N . 53484 2 259 . 1 . 1 63 63 TYR C C 13 175.539272 0.1526019575 . 1 . . . . . 63 TYR C . 53484 2 260 . 1 . 1 63 63 TYR CA C 13 59.6772499 0.1721376533 . 1 . . . . . 63 TYR CA . 53484 2 261 . 1 . 1 63 63 TYR CB C 13 37.8609432 0.1230237642 . 1 . . . . . 63 TYR CB . 53484 2 262 . 1 . 1 63 63 TYR CG C 13 132.634271 0.08387550263 . 1 . . . . . 63 TYR CG . 53484 2 263 . 1 . 1 63 63 TYR CD1 C 13 133.6308896 0.1977932269 . 3 . . . . . 63 TYR CD1 . 53484 2 264 . 1 . 1 63 63 TYR CE1 C 13 118.1510957 0.1875412225 . 3 . . . . . 63 TYR CE1 . 53484 2 265 . 1 . 1 63 63 TYR CZ C 13 157.5042369 0.04990232132 . 1 . . . . . 63 TYR CZ . 53484 2 266 . 1 . 1 63 63 TYR N N 15 120.5498615 0.1672873269 . 1 . . . . . 63 TYR N . 53484 2 267 . 1 . 1 64 64 GLY C C 13 173.8458469 0.1110142778 . 1 . . . . . 64 GLY C . 53484 2 268 . 1 . 1 64 64 GLY CA C 13 45.94913314 0.1515140653 . 1 . . . . . 64 GLY CA . 53484 2 269 . 1 . 1 64 64 GLY N N 15 107.1373625 0.2855644959 . 1 . . . . . 64 GLY N . 53484 2 270 . 1 . 1 74 74 THR C C 13 172.4836996 0.08231532199 . 1 . . . . . 74 THR C . 53484 2 271 . 1 . 1 74 74 THR CA C 13 61.66482256 0.08287700685 . 1 . . . . . 74 THR CA . 53484 2 272 . 1 . 1 74 74 THR CB C 13 70.96068014 0.07194865468 . 1 . . . . . 74 THR CB . 53484 2 273 . 1 . 1 74 74 THR CG2 C 13 22.47054891 0.06145504881 . 1 . . . . . 74 THR CG2 . 53484 2 274 . 1 . 1 74 74 THR N N 15 119.3221213 0.1434486543 . 1 . . . . . 74 THR N . 53484 2 275 . 1 . 1 75 75 LEU C C 13 175.1824045 0.05257621483 . 1 . . . . . 75 LEU C . 53484 2 276 . 1 . 1 75 75 LEU CA C 13 53.31861603 0.04617990619 . 1 . . . . . 75 LEU CA . 53484 2 277 . 1 . 1 75 75 LEU CB C 13 44.59244384 0.07749722272 . 1 . . . . . 75 LEU CB . 53484 2 278 . 1 . 1 75 75 LEU CG C 13 27.72910417 0.08071576099 . 1 . . . . . 75 LEU CG . 53484 2 279 . 1 . 1 75 75 LEU CD1 C 13 23.49275029 0.0474596024 . 2 . . . . . 75 LEU CD1 . 53484 2 280 . 1 . 1 75 75 LEU N N 15 127.2811752 0.1277087447 . 1 . . . . . 75 LEU N . 53484 2 281 . 1 . 1 76 76 LYS CA C 13 54.15591596 . . 9 . . . . . 76 LYS CA . 53484 2 282 . 1 . 1 76 76 LYS CB C 13 34.92925653 . . 9 . . . . . 76 LYS CB . 53484 2 283 . 1 . 1 76 76 LYS N N 15 127.2618381 . . 9 . . . . . 76 LYS N . 53484 2 stop_ save_