################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25345 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25345 1 2 '3D HNCO' . . . 25345 1 3 '3D HN(CA)CO' . . . 25345 1 4 '3D HNCACB' . . . 25345 1 5 '3D CBCA(CO)NH' . . . 25345 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 $COMPASS . . 25345 1 2 $SPARKY . . 25345 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 174.980 0.000 . 1 . . . . 473 SER CO . 25345 1 2 . 1 1 1 1 SER CB C 13 63.662 0.000 . 1 . . . . 473 SER CB . 25345 1 3 . 1 1 2 2 GLY H H 1 8.411 0.003 . 1 . . . . 474 GLY HN . 25345 1 4 . 1 1 2 2 GLY C C 13 174.022 0.020 . 1 . . . . 474 GLY CO . 25345 1 5 . 1 1 2 2 GLY CA C 13 45.416 0.047 . 1 . . . . 474 GLY CA . 25345 1 6 . 1 1 2 2 GLY N N 15 110.668 0.041 . 1 . . . . 474 GLY N . 25345 1 7 . 1 1 3 3 VAL H H 1 7.884 0.000 . 1 . . . . 475 VAL HN . 25345 1 8 . 1 1 3 3 VAL C C 13 175.614 0.011 . 1 . . . . 475 VAL CO . 25345 1 9 . 1 1 3 3 VAL CA C 13 62.069 0.028 . 1 . . . . 475 VAL CA . 25345 1 10 . 1 1 3 3 VAL CB C 13 33.109 0.001 . 1 . . . . 475 VAL CB . 25345 1 11 . 1 1 3 3 VAL N N 15 118.720 0.021 . 1 . . . . 475 VAL N . 25345 1 12 . 1 1 4 4 ASP H H 1 8.391 0.002 . 1 . . . . 476 ASP HN . 25345 1 13 . 1 1 4 4 ASP C C 13 176.178 0.000 . 1 . . . . 476 ASP CO . 25345 1 14 . 1 1 4 4 ASP CA C 13 54.266 0.002 . 1 . . . . 476 ASP CA . 25345 1 15 . 1 1 4 4 ASP CB C 13 41.434 0.032 . 1 . . . . 476 ASP CB . 25345 1 16 . 1 1 4 4 ASP N N 15 123.897 0.020 . 1 . . . . 476 ASP N . 25345 1 17 . 1 1 5 5 LEU H H 1 8.343 0.002 . 1 . . . . 477 LEU HN . 25345 1 18 . 1 1 5 5 LEU C C 13 178.163 0.005 . 1 . . . . 477 LEU CO . 25345 1 19 . 1 1 5 5 LEU CA C 13 55.386 0.010 . 1 . . . . 477 LEU CA . 25345 1 20 . 1 1 5 5 LEU CB C 13 42.224 0.079 . 1 . . . . 477 LEU CB . 25345 1 21 . 1 1 5 5 LEU N N 15 123.700 0.016 . 1 . . . . 477 LEU N . 25345 1 22 . 1 1 6 6 GLY H H 1 8.542 0.002 . 1 . . . . 478 GLY HN . 25345 1 23 . 1 1 6 6 GLY C C 13 174.792 0.014 . 1 . . . . 478 GLY CO . 25345 1 24 . 1 1 6 6 GLY CA C 13 45.782 0.047 . 1 . . . . 478 GLY CA . 25345 1 25 . 1 1 6 6 GLY N N 15 109.232 0.028 . 1 . . . . 478 GLY N . 25345 1 26 . 1 1 7 7 THR H H 1 7.973 0.002 . 1 . . . . 479 THR HN . 25345 1 27 . 1 1 7 7 THR C C 13 174.907 0.025 . 1 . . . . 479 THR CO . 25345 1 28 . 1 1 7 7 THR CA C 13 62.061 0.011 . 1 . . . . 479 THR CA . 25345 1 29 . 1 1 7 7 THR CB C 13 69.597 0.050 . 1 . . . . 479 THR CB . 25345 1 30 . 1 1 7 7 THR N N 15 112.737 0.014 . 1 . . . . 479 THR N . 25345 1 31 . 1 1 8 8 GLU H H 1 8.523 0.002 . 1 . . . . 480 GLU HN . 25345 1 32 . 1 1 8 8 GLU C C 13 176.194 0.006 . 1 . . . . 480 GLU CO . 25345 1 33 . 1 1 8 8 GLU CA C 13 57.161 0.005 . 1 . . . . 480 GLU CA . 25345 1 34 . 1 1 8 8 GLU CB C 13 30.127 0.006 . 1 . . . . 480 GLU CB . 25345 1 35 . 1 1 8 8 GLU N N 15 122.705 0.005 . 1 . . . . 480 GLU N . 25345 1 36 . 1 1 9 9 ASN H H 1 8.365 0.003 . 1 . . . . 481 ASN HN . 25345 1 37 . 1 1 9 9 ASN C C 13 174.877 0.006 . 1 . . . . 481 ASN CO . 25345 1 38 . 1 1 9 9 ASN CA C 13 53.403 0.009 . 1 . . . . 481 ASN CA . 25345 1 39 . 1 1 9 9 ASN CB C 13 38.919 0.044 . 1 . . . . 481 ASN CB . 25345 1 40 . 1 1 9 9 ASN N N 15 119.013 0.018 . 1 . . . . 481 ASN N . 25345 1 41 . 1 1 10 10 LEU H H 1 7.995 0.003 . 1 . . . . 482 LEU HN . 25345 1 42 . 1 1 10 10 LEU C C 13 176.760 0.007 . 1 . . . . 482 LEU CO . 25345 1 43 . 1 1 10 10 LEU CA C 13 55.371 0.009 . 1 . . . . 482 LEU CA . 25345 1 44 . 1 1 10 10 LEU CB C 13 42.466 0.015 . 1 . . . . 482 LEU CB . 25345 1 45 . 1 1 10 10 LEU N N 15 121.981 0.009 . 1 . . . . 482 LEU N . 25345 1 46 . 1 1 11 11 TYR H H 1 7.955 0.001 . 1 . . . . 483 TYR HN . 25345 1 47 . 1 1 11 11 TYR C C 13 175.236 0.002 . 1 . . . . 483 TYR CO . 25345 1 48 . 1 1 11 11 TYR CA C 13 57.650 0.048 . 1 . . . . 483 TYR CA . 25345 1 49 . 1 1 11 11 TYR CB C 13 38.823 0.058 . 1 . . . . 483 TYR CB . 25345 1 50 . 1 1 11 11 TYR N N 15 119.488 0.009 . 1 . . . . 483 TYR N . 25345 1 51 . 1 1 12 12 PHE H H 1 7.970 0.001 . 1 . . . . 484 PHE HN . 25345 1 52 . 1 1 12 12 PHE C C 13 174.500 0.004 . 1 . . . . 484 PHE CO . 25345 1 53 . 1 1 12 12 PHE CA C 13 57.406 0.040 . 1 . . . . 484 PHE CA . 25345 1 54 . 1 1 12 12 PHE CB C 13 39.678 0.005 . 1 . . . . 484 PHE CB . 25345 1 55 . 1 1 12 12 PHE N N 15 121.236 0.041 . 1 . . . . 484 PHE N . 25345 1 56 . 1 1 13 13 GLN H H 1 7.739 0.001 . 1 . . . . 485 GLN HN . 25345 1 57 . 1 1 13 13 GLN C C 13 180.225 0.000 . 1 . . . . 485 GLN CO . 25345 1 58 . 1 1 13 13 GLN CA C 13 57.446 0.000 . 1 . . . . 485 GLN CA . 25345 1 59 . 1 1 13 13 GLN CB C 13 30.700 0.000 . 1 . . . . 485 GLN CB . 25345 1 60 . 1 1 13 13 GLN N N 15 126.037 0.009 . 1 . . . . 485 GLN N . 25345 1 61 . 1 1 15 15 GLN C C 13 177.726 0.000 . 1 . . . . 487 GLN CO . 25345 1 62 . 1 1 15 15 GLN CA C 13 57.877 0.000 . 1 . . . . 487 GLN CA . 25345 1 63 . 1 1 15 15 GLN CB C 13 28.504 0.000 . 1 . . . . 487 GLN CB . 25345 1 64 . 1 1 16 16 LEU H H 1 8.278 0.004 . 1 . . . . 488 LEU HN . 25345 1 65 . 1 1 16 16 LEU C C 13 178.167 0.000 . 1 . . . . 488 LEU CO . 25345 1 66 . 1 1 16 16 LEU CA C 13 57.913 0.036 . 1 . . . . 488 LEU CA . 25345 1 67 . 1 1 16 16 LEU CB C 13 41.756 0.216 . 1 . . . . 488 LEU CB . 25345 1 68 . 1 1 16 16 LEU N N 15 122.283 0.053 . 1 . . . . 488 LEU N . 25345 1 69 . 1 1 17 17 SER H H 1 8.443 0.002 . 1 . . . . 489 SER HN . 25345 1 70 . 1 1 17 17 SER CA C 13 62.461 0.000 . 1 . . . . 489 SER CA . 25345 1 71 . 1 1 17 17 SER N N 15 114.293 0.010 . 1 . . . . 489 SER N . 25345 1 72 . 1 1 18 18 LYS CA C 13 59.642 0.000 . 1 . . . . 490 LYS CA . 25345 1 73 . 1 1 19 19 LYS H H 1 7.579 0.010 . 1 . . . . 491 LYS HN . 25345 1 74 . 1 1 19 19 LYS C C 13 179.038 0.002 . 1 . . . . 491 LYS CO . 25345 1 75 . 1 1 19 19 LYS CB C 13 32.731 0.000 . 1 . . . . 491 LYS CB . 25345 1 76 . 1 1 19 19 LYS N N 15 119.711 0.000 . 1 . . . . 491 LYS N . 25345 1 77 . 1 1 20 20 LEU H H 1 7.787 0.012 . 1 . . . . 492 LEU HN . 25345 1 78 . 1 1 20 20 LEU C C 13 178.270 0.035 . 1 . . . . 492 LEU CO . 25345 1 79 . 1 1 20 20 LEU N N 15 119.000 0.000 . 1 . . . . 492 LEU N . 25345 1 80 . 1 1 21 21 ILE H H 1 7.767 0.011 . 1 . . . . 493 ILE HN . 25345 1 81 . 1 1 21 21 ILE C C 13 179.212 0.000 . 1 . . . . 493 ILE CO . 25345 1 82 . 1 1 21 21 ILE N N 15 119.000 0.000 . 1 . . . . 493 ILE N . 25345 1 83 . 1 1 22 22 TYR C C 13 177.579 0.000 . 1 . . . . 494 TYR CO . 25345 1 84 . 1 1 22 22 TYR CA C 13 62.391 0.000 . 1 . . . . 494 TYR CA . 25345 1 85 . 1 1 22 22 TYR CB C 13 37.865 0.000 . 1 . . . . 494 TYR CB . 25345 1 86 . 1 1 23 23 CYS H H 1 8.532 0.004 . 1 . . . . 495 CYS HN . 25345 1 87 . 1 1 23 23 CYS C C 13 177.408 0.000 . 1 . . . . 495 CYS CO . 25345 1 88 . 1 1 23 23 CYS CA C 13 64.189 0.036 . 1 . . . . 495 CYS CA . 25345 1 89 . 1 1 23 23 CYS CB C 13 27.040 0.053 . 1 . . . . 495 CYS CB . 25345 1 90 . 1 1 23 23 CYS N N 15 117.148 0.022 . 1 . . . . 495 CYS N . 25345 1 91 . 1 1 24 24 ALA H H 1 8.583 0.004 . 1 . . . . 496 ALA HN . 25345 1 92 . 1 1 24 24 ALA C C 13 177.220 0.000 . 1 . . . . 496 ALA CO . 25345 1 93 . 1 1 24 24 ALA CA C 13 55.380 0.030 . 1 . . . . 496 ALA CA . 25345 1 94 . 1 1 24 24 ALA CB C 13 17.605 0.086 . 1 . . . . 496 ALA CB . 25345 1 95 . 1 1 24 24 ALA N N 15 121.006 0.008 . 1 . . . . 496 ALA N . 25345 1 96 . 1 1 25 25 PHE H H 1 8.379 0.008 . 1 . . . . 497 PHE HN . 25345 1 97 . 1 1 25 25 PHE C C 13 176.644 0.095 . 1 . . . . 497 PHE CO . 25345 1 98 . 1 1 25 25 PHE CA C 13 62.048 0.063 . 1 . . . . 497 PHE CA . 25345 1 99 . 1 1 25 25 PHE N N 15 118.967 0.052 . 1 . . . . 497 PHE N . 25345 1 100 . 1 1 26 26 ARG H H 1 7.763 0.005 . 1 . . . . 498 ARG HN . 25345 1 101 . 1 1 26 26 ARG C C 13 177.614 0.039 . 1 . . . . 498 ARG CO . 25345 1 102 . 1 1 26 26 ARG CA C 13 57.764 0.055 . 1 . . . . 498 ARG CA . 25345 1 103 . 1 1 26 26 ARG CB C 13 29.724 0.051 . 1 . . . . 498 ARG CB . 25345 1 104 . 1 1 26 26 ARG N N 15 114.495 0.011 . 1 . . . . 498 ARG N . 25345 1 105 . 1 1 27 27 VAL H H 1 7.175 0.005 . 1 . . . . 499 VAL HN . 25345 1 106 . 1 1 27 27 VAL C C 13 176.460 0.000 . 1 . . . . 499 VAL CO . 25345 1 107 . 1 1 27 27 VAL CA C 13 65.439 0.000 . 1 . . . . 499 VAL CA . 25345 1 108 . 1 1 27 27 VAL CB C 13 31.196 0.000 . 1 . . . . 499 VAL CB . 25345 1 109 . 1 1 27 27 VAL N N 15 118.392 0.045 . 1 . . . . 499 VAL N . 25345 1 110 . 1 1 28 28 PHE C C 13 175.934 0.000 . 1 . . . . 500 PHE CO . 25345 1 111 . 1 1 28 28 PHE CA C 13 57.412 0.000 . 1 . . . . 500 PHE CA . 25345 1 112 . 1 1 28 28 PHE CB C 13 39.257 0.000 . 1 . . . . 500 PHE CB . 25345 1 113 . 1 1 29 29 ASP H H 1 7.667 0.004 . 1 . . . . 501 ASP HN . 25345 1 114 . 1 1 29 29 ASP C C 13 177.428 0.029 . 1 . . . . 501 ASP CO . 25345 1 115 . 1 1 29 29 ASP CA C 13 52.038 0.054 . 1 . . . . 501 ASP CA . 25345 1 116 . 1 1 29 29 ASP CB C 13 38.638 0.057 . 1 . . . . 501 ASP CB . 25345 1 117 . 1 1 29 29 ASP N N 15 117.008 0.009 . 1 . . . . 501 ASP N . 25345 1 118 . 1 1 30 30 VAL H H 1 7.359 0.008 . 1 . . . . 502 VAL HN . 25345 1 119 . 1 1 30 30 VAL C C 13 177.456 0.000 . 1 . . . . 502 VAL CO . 25345 1 120 . 1 1 30 30 VAL CA C 13 65.824 0.024 . 1 . . . . 502 VAL CA . 25345 1 121 . 1 1 30 30 VAL CB C 13 32.401 0.005 . 1 . . . . 502 VAL CB . 25345 1 122 . 1 1 30 30 VAL N N 15 122.687 0.008 . 1 . . . . 502 VAL N . 25345 1 123 . 1 1 31 31 ASP H H 1 7.907 0.003 . 1 . . . . 503 ASP HN . 25345 1 124 . 1 1 31 31 ASP C C 13 176.666 0.023 . 1 . . . . 503 ASP CO . 25345 1 125 . 1 1 31 31 ASP CA C 13 52.915 0.034 . 1 . . . . 503 ASP CA . 25345 1 126 . 1 1 31 31 ASP CB C 13 39.591 0.030 . 1 . . . . 503 ASP CB . 25345 1 127 . 1 1 31 31 ASP N N 15 115.464 0.009 . 1 . . . . 503 ASP N . 25345 1 128 . 1 1 32 32 ASN H H 1 8.015 0.003 . 1 . . . . 504 ASN HN . 25345 1 129 . 1 1 32 32 ASN C C 13 174.841 0.009 . 1 . . . . 504 ASN CO . 25345 1 130 . 1 1 32 32 ASN CA C 13 54.406 0.002 . 1 . . . . 504 ASN CA . 25345 1 131 . 1 1 32 32 ASN CB C 13 38.228 0.079 . 1 . . . . 504 ASN CB . 25345 1 132 . 1 1 32 32 ASN N N 15 115.834 0.028 . 1 . . . . 504 ASN N . 25345 1 133 . 1 1 33 33 ASP H H 1 8.445 0.002 . 1 . . . . 505 ASP HN . 25345 1 134 . 1 1 33 33 ASP C C 13 177.952 0.005 . 1 . . . . 505 ASP CO . 25345 1 135 . 1 1 33 33 ASP CA C 13 53.506 0.034 . 1 . . . . 505 ASP CA . 25345 1 136 . 1 1 33 33 ASP CB C 13 40.713 0.003 . 1 . . . . 505 ASP CB . 25345 1 137 . 1 1 33 33 ASP N N 15 118.654 0.029 . 1 . . . . 505 ASP N . 25345 1 138 . 1 1 34 34 GLY H H 1 10.737 0.007 . 1 . . . . 506 GLY HN . 25345 1 139 . 1 1 34 34 GLY C C 13 173.596 0.020 . 1 . . . . 506 GLY CO . 25345 1 140 . 1 1 34 34 GLY CA C 13 45.547 0.033 . 1 . . . . 506 GLY CA . 25345 1 141 . 1 1 34 34 GLY N N 15 113.506 0.044 . 1 . . . . 506 GLY N . 25345 1 142 . 1 1 35 35 GLU H H 1 8.006 0.002 . 1 . . . . 507 GLU HN . 25345 1 143 . 1 1 35 35 GLU C C 13 174.681 0.001 . 1 . . . . 507 GLU CO . 25345 1 144 . 1 1 35 35 GLU CA C 13 54.370 0.003 . 1 . . . . 507 GLU CA . 25345 1 145 . 1 1 35 35 GLU CB C 13 33.532 0.026 . 1 . . . . 507 GLU CB . 25345 1 146 . 1 1 35 35 GLU N N 15 117.922 0.070 . 1 . . . . 507 GLU N . 25345 1 147 . 1 1 36 36 ILE H H 1 9.809 0.007 . 1 . . . . 508 ILE HN . 25345 1 148 . 1 1 36 36 ILE C C 13 176.663 0.011 . 1 . . . . 508 ILE CO . 25345 1 149 . 1 1 36 36 ILE CA C 13 60.709 0.016 . 1 . . . . 508 ILE CA . 25345 1 150 . 1 1 36 36 ILE CB C 13 39.040 0.032 . 1 . . . . 508 ILE CB . 25345 1 151 . 1 1 36 36 ILE N N 15 127.186 0.024 . 1 . . . . 508 ILE N . 25345 1 152 . 1 1 37 37 THR H H 1 9.147 0.008 . 1 . . . . 509 THR HN . 25345 1 153 . 1 1 37 37 THR C C 13 176.046 0.024 . 1 . . . . 509 THR CO . 25345 1 154 . 1 1 37 37 THR CA C 13 60.261 0.057 . 1 . . . . 509 THR CA . 25345 1 155 . 1 1 37 37 THR CB C 13 72.070 0.044 . 1 . . . . 509 THR CB . 25345 1 156 . 1 1 37 37 THR N N 15 118.761 0.034 . 1 . . . . 509 THR N . 25345 1 157 . 1 1 38 38 THR H H 1 9.247 0.005 . 1 . . . . 510 THR HN . 25345 1 158 . 1 1 38 38 THR C C 13 176.568 0.018 . 1 . . . . 510 THR CO . 25345 1 159 . 1 1 38 38 THR CA C 13 66.655 0.151 . 1 . . . . 510 THR CA . 25345 1 160 . 1 1 38 38 THR CB C 13 68.447 0.081 . 1 . . . . 510 THR CB . 25345 1 161 . 1 1 38 38 THR N N 15 114.416 0.081 . 1 . . . . 510 THR N . 25345 1 162 . 1 1 39 39 ALA H H 1 8.034 0.007 . 1 . . . . 511 ALA HN . 25345 1 163 . 1 1 39 39 ALA C C 13 180.682 0.004 . 1 . . . . 511 ALA CO . 25345 1 164 . 1 1 39 39 ALA CA C 13 55.694 0.017 . 1 . . . . 511 ALA CA . 25345 1 165 . 1 1 39 39 ALA CB C 13 18.601 0.031 . 1 . . . . 511 ALA CB . 25345 1 166 . 1 1 39 39 ALA N N 15 122.045 0.017 . 1 . . . . 511 ALA N . 25345 1 167 . 1 1 40 40 GLU H H 1 7.703 0.010 . 1 . . . . 512 GLU HN . 25345 1 168 . 1 1 40 40 GLU C C 13 179.282 0.019 . 1 . . . . 512 GLU CO . 25345 1 169 . 1 1 40 40 GLU CA C 13 59.660 0.084 . 1 . . . . 512 GLU CA . 25345 1 170 . 1 1 40 40 GLU CB C 13 29.790 0.113 . 1 . . . . 512 GLU CB . 25345 1 171 . 1 1 40 40 GLU N N 15 119.471 0.045 . 1 . . . . 512 GLU N . 25345 1 172 . 1 1 41 41 LEU H H 1 8.508 0.005 . 1 . . . . 513 LEU HN . 25345 1 173 . 1 1 41 41 LEU C C 13 178.462 0.015 . 1 . . . . 513 LEU CO . 25345 1 174 . 1 1 41 41 LEU CA C 13 57.682 0.068 . 1 . . . . 513 LEU CA . 25345 1 175 . 1 1 41 41 LEU CB C 13 42.152 0.012 . 1 . . . . 513 LEU CB . 25345 1 176 . 1 1 41 41 LEU N N 15 118.998 0.022 . 1 . . . . 513 LEU N . 25345 1 177 . 1 1 42 42 ALA H H 1 8.816 0.003 . 1 . . . . 514 ALA HN . 25345 1 178 . 1 1 42 42 ALA C C 13 178.635 0.000 . 1 . . . . 514 ALA CO . 25345 1 179 . 1 1 42 42 ALA CA C 13 55.466 0.030 . 1 . . . . 514 ALA CA . 25345 1 180 . 1 1 42 42 ALA CB C 13 18.051 0.015 . 1 . . . . 514 ALA CB . 25345 1 181 . 1 1 42 42 ALA N N 15 119.987 0.032 . 1 . . . . 514 ALA N . 25345 1 182 . 1 1 43 43 HIS H H 1 7.907 0.007 . 1 . . . . 515 HIS HN . 25345 1 183 . 1 1 43 43 HIS CA C 13 60.067 0.024 . 1 . . . . 515 HIS CA . 25345 1 184 . 1 1 43 43 HIS CB C 13 30.718 0.037 . 1 . . . . 515 HIS CB . 25345 1 185 . 1 1 43 43 HIS N N 15 115.861 0.028 . 1 . . . . 515 HIS N . 25345 1 186 . 1 1 44 44 ILE H H 1 7.551 0.008 . 1 . . . . 516 ILE HN . 25345 1 187 . 1 1 44 44 ILE C C 13 178.165 0.000 . 1 . . . . 516 ILE CO . 25345 1 188 . 1 1 44 44 ILE CA C 13 62.112 0.036 . 1 . . . . 516 ILE CA . 25345 1 189 . 1 1 44 44 ILE CB C 13 37.514 0.000 . 1 . . . . 516 ILE CB . 25345 1 190 . 1 1 44 44 ILE N N 15 117.001 0.003 . 1 . . . . 516 ILE N . 25345 1 191 . 1 1 45 45 LEU H H 1 8.294 0.001 . 1 . . . . 517 LEU HN . 25345 1 192 . 1 1 45 45 LEU C C 13 178.706 0.011 . 1 . . . . 517 LEU CO . 25345 1 193 . 1 1 45 45 LEU CA C 13 57.480 0.045 . 1 . . . . 517 LEU CA . 25345 1 194 . 1 1 45 45 LEU CB C 13 42.427 0.064 . 1 . . . . 517 LEU CB . 25345 1 195 . 1 1 45 45 LEU N N 15 117.814 0.017 . 1 . . . . 517 LEU N . 25345 1 196 . 1 1 46 46 TYR H H 1 7.893 0.005 . 1 . . . . 518 TYR HN . 25345 1 197 . 1 1 46 46 TYR C C 13 176.018 0.013 . 1 . . . . 518 TYR CO . 25345 1 198 . 1 1 46 46 TYR CA C 13 57.582 0.036 . 1 . . . . 518 TYR CA . 25345 1 199 . 1 1 46 46 TYR CB C 13 38.276 0.001 . 1 . . . . 518 TYR CB . 25345 1 200 . 1 1 46 46 TYR N N 15 114.028 0.018 . 1 . . . . 518 TYR N . 25345 1 201 . 1 1 47 47 ASN H H 1 7.720 0.003 . 1 . . . . 519 ASN HN . 25345 1 202 . 1 1 47 47 ASN C C 13 176.368 0.007 . 1 . . . . 519 ASN CO . 25345 1 203 . 1 1 47 47 ASN CA C 13 54.185 0.059 . 1 . . . . 519 ASN CA . 25345 1 204 . 1 1 47 47 ASN CB C 13 38.715 0.020 . 1 . . . . 519 ASN CB . 25345 1 205 . 1 1 47 47 ASN N N 15 118.113 0.035 . 1 . . . . 519 ASN N . 25345 1 206 . 1 1 48 48 GLY H H 1 8.523 0.003 . 1 . . . . 520 GLY HN . 25345 1 207 . 1 1 48 48 GLY C C 13 174.479 0.000 . 1 . . . . 520 GLY CO . 25345 1 208 . 1 1 48 48 GLY CA C 13 46.249 0.009 . 1 . . . . 520 GLY CA . 25345 1 209 . 1 1 48 48 GLY N N 15 109.060 0.070 . 1 . . . . 520 GLY N . 25345 1 210 . 1 1 49 49 ASN H H 1 8.188 0.003 . 1 . . . . 521 ASN HN . 25345 1 211 . 1 1 49 49 ASN C C 13 175.537 0.000 . 1 . . . . 521 ASN CO . 25345 1 212 . 1 1 49 49 ASN CA C 13 53.688 0.196 . 1 . . . . 521 ASN CA . 25345 1 213 . 1 1 49 49 ASN CB C 13 38.748 0.053 . 1 . . . . 521 ASN CB . 25345 1 214 . 1 1 49 49 ASN N N 15 118.028 0.045 . 1 . . . . 521 ASN N . 25345 1 215 . 1 1 50 50 LYS H H 1 8.056 0.008 . 1 . . . . 522 LYS HN . 25345 1 216 . 1 1 50 50 LYS C C 13 176.472 0.001 . 1 . . . . 522 LYS CO . 25345 1 217 . 1 1 50 50 LYS CA C 13 56.696 0.064 . 1 . . . . 522 LYS CA . 25345 1 218 . 1 1 50 50 LYS CB C 13 32.546 0.025 . 1 . . . . 522 LYS CB . 25345 1 219 . 1 1 50 50 LYS N N 15 119.073 0.098 . 1 . . . . 522 LYS N . 25345 1 220 . 1 1 51 51 LYS H H 1 8.211 0.001 . 1 . . . . 523 LYS HN . 25345 1 221 . 1 1 51 51 LYS C C 13 177.090 0.001 . 1 . . . . 523 LYS CO . 25345 1 222 . 1 1 51 51 LYS CA C 13 56.743 0.017 . 1 . . . . 523 LYS CA . 25345 1 223 . 1 1 51 51 LYS CB C 13 32.502 0.018 . 1 . . . . 523 LYS CB . 25345 1 224 . 1 1 51 51 LYS N N 15 120.355 0.013 . 1 . . . . 523 LYS N . 25345 1 225 . 1 1 52 52 GLY H H 1 8.343 0.003 . 1 . . . . 524 GLY HN . 25345 1 226 . 1 1 52 52 GLY C C 13 173.470 0.005 . 1 . . . . 524 GLY CO . 25345 1 227 . 1 1 52 52 GLY CA C 13 45.293 0.001 . 1 . . . . 524 GLY CA . 25345 1 228 . 1 1 52 52 GLY N N 15 109.808 0.015 . 1 . . . . 524 GLY N . 25345 1 229 . 1 1 53 53 ASN H H 1 8.199 0.003 . 1 . . . . 525 ASN HN . 25345 1 230 . 1 1 53 53 ASN C C 13 174.561 0.005 . 1 . . . . 525 ASN CO . 25345 1 231 . 1 1 53 53 ASN CA C 13 52.964 0.007 . 1 . . . . 525 ASN CA . 25345 1 232 . 1 1 53 53 ASN CB C 13 39.630 0.104 . 1 . . . . 525 ASN CB . 25345 1 233 . 1 1 53 53 ASN N N 15 118.452 0.008 . 1 . . . . 525 ASN N . 25345 1 234 . 1 1 54 54 ILE H H 1 8.132 0.001 . 1 . . . . 526 ILE HN . 25345 1 235 . 1 1 54 54 ILE C C 13 176.503 0.017 . 1 . . . . 526 ILE CO . 25345 1 236 . 1 1 54 54 ILE CA C 13 60.600 0.003 . 1 . . . . 526 ILE CA . 25345 1 237 . 1 1 54 54 ILE CB C 13 38.809 0.006 . 1 . . . . 526 ILE CB . 25345 1 238 . 1 1 54 54 ILE N N 15 120.669 0.009 . 1 . . . . 526 ILE N . 25345 1 239 . 1 1 55 55 THR H H 1 9.045 0.003 . 1 . . . . 527 THR HN . 25345 1 240 . 1 1 55 55 THR C C 13 175.728 0.000 . 1 . . . . 527 THR CO . 25345 1 241 . 1 1 55 55 THR CA C 13 60.622 0.009 . 1 . . . . 527 THR CA . 25345 1 242 . 1 1 55 55 THR CB C 13 72.000 0.082 . 1 . . . . 527 THR CB . 25345 1 243 . 1 1 55 55 THR N N 15 118.182 0.005 . 1 . . . . 527 THR N . 25345 1 244 . 1 1 56 56 GLN H H 1 8.912 0.008 . 1 . . . . 528 GLN HN . 25345 1 245 . 1 1 56 56 GLN C C 13 177.916 0.013 . 1 . . . . 528 GLN CO . 25345 1 246 . 1 1 56 56 GLN N N 15 120.922 0.057 . 1 . . . . 528 GLN N . 25345 1 247 . 1 1 57 57 ARG H H 1 8.043 0.002 . 1 . . . . 529 ARG HN . 25345 1 248 . 1 1 57 57 ARG C C 13 178.916 0.009 . 1 . . . . 529 ARG CO . 25345 1 249 . 1 1 57 57 ARG CA C 13 59.294 0.000 . 1 . . . . 529 ARG CA . 25345 1 250 . 1 1 57 57 ARG CB C 13 29.946 0.000 . 1 . . . . 529 ARG CB . 25345 1 251 . 1 1 57 57 ARG N N 15 118.630 0.012 . 1 . . . . 529 ARG N . 25345 1 252 . 1 1 58 58 ASP H H 1 7.432 0.003 . 1 . . . . 530 ASP HN . 25345 1 253 . 1 1 58 58 ASP C C 13 178.379 0.000 . 1 . . . . 530 ASP CO . 25345 1 254 . 1 1 58 58 ASP CA C 13 57.264 0.039 . 1 . . . . 530 ASP CA . 25345 1 255 . 1 1 58 58 ASP CB C 13 40.525 0.006 . 1 . . . . 530 ASP CB . 25345 1 256 . 1 1 58 58 ASP N N 15 120.504 0.016 . 1 . . . . 530 ASP N . 25345 1 257 . 1 1 59 59 VAL H H 1 7.868 0.004 . 1 . . . . 531 VAL HN . 25345 1 258 . 1 1 59 59 VAL C C 13 178.143 0.000 . 1 . . . . 531 VAL CO . 25345 1 259 . 1 1 59 59 VAL CA C 13 67.331 0.052 . 1 . . . . 531 VAL CA . 25345 1 260 . 1 1 59 59 VAL CB C 13 31.545 0.003 . 1 . . . . 531 VAL CB . 25345 1 261 . 1 1 59 59 VAL N N 15 120.837 0.010 . 1 . . . . 531 VAL N . 25345 1 262 . 1 1 60 60 ASN H H 1 8.620 0.003 . 1 . . . . 532 ASN HN . 25345 1 263 . 1 1 60 60 ASN C C 13 178.464 0.018 . 1 . . . . 532 ASN CO . 25345 1 264 . 1 1 60 60 ASN CA C 13 55.947 0.044 . 1 . . . . 532 ASN CA . 25345 1 265 . 1 1 60 60 ASN CB C 13 37.629 0.025 . 1 . . . . 532 ASN CB . 25345 1 266 . 1 1 60 60 ASN N N 15 118.659 0.016 . 1 . . . . 532 ASN N . 25345 1 267 . 1 1 61 61 ARG H H 1 7.863 0.002 . 1 . . . . 533 ARG HN . 25345 1 268 . 1 1 61 61 ARG C C 13 179.279 0.027 . 1 . . . . 533 ARG CO . 25345 1 269 . 1 1 61 61 ARG CA C 13 59.841 0.074 . 1 . . . . 533 ARG CA . 25345 1 270 . 1 1 61 61 ARG CB C 13 30.252 0.023 . 1 . . . . 533 ARG CB . 25345 1 271 . 1 1 61 61 ARG N N 15 121.387 0.008 . 1 . . . . 533 ARG N . 25345 1 272 . 1 1 62 62 VAL H H 1 7.880 0.004 . 1 . . . . 534 VAL HN . 25345 1 273 . 1 1 62 62 VAL C C 13 177.643 0.015 . 1 . . . . 534 VAL CO . 25345 1 274 . 1 1 62 62 VAL CA C 13 66.784 0.010 . 1 . . . . 534 VAL CA . 25345 1 275 . 1 1 62 62 VAL CB C 13 31.117 0.043 . 1 . . . . 534 VAL CB . 25345 1 276 . 1 1 62 62 VAL N N 15 120.501 0.022 . 1 . . . . 534 VAL N . 25345 1 277 . 1 1 63 63 LYS H H 1 8.550 0.003 . 1 . . . . 535 LYS HN . 25345 1 278 . 1 1 63 63 LYS C C 13 179.260 0.011 . 1 . . . . 535 LYS CO . 25345 1 279 . 1 1 63 63 LYS CA C 13 60.534 0.061 . 1 . . . . 535 LYS CA . 25345 1 280 . 1 1 63 63 LYS CB C 13 32.444 0.040 . 1 . . . . 535 LYS CB . 25345 1 281 . 1 1 63 63 LYS N N 15 119.651 0.016 . 1 . . . . 535 LYS N . 25345 1 282 . 1 1 64 64 ARG H H 1 7.611 0.003 . 1 . . . . 536 ARG HN . 25345 1 283 . 1 1 64 64 ARG C C 13 178.426 0.009 . 1 . . . . 536 ARG CO . 25345 1 284 . 1 1 64 64 ARG CA C 13 59.011 0.012 . 1 . . . . 536 ARG CA . 25345 1 285 . 1 1 64 64 ARG CB C 13 30.017 0.008 . 1 . . . . 536 ARG CB . 25345 1 286 . 1 1 64 64 ARG N N 15 117.650 0.015 . 1 . . . . 536 ARG N . 25345 1 287 . 1 1 65 65 MET H H 1 7.801 0.001 . 1 . . . . 537 MET HN . 25345 1 288 . 1 1 65 65 MET C C 13 178.284 0.029 . 1 . . . . 537 MET CO . 25345 1 289 . 1 1 65 65 MET CA C 13 59.020 0.003 . 1 . . . . 537 MET CA . 25345 1 290 . 1 1 65 65 MET CB C 13 34.209 0.055 . 1 . . . . 537 MET CB . 25345 1 291 . 1 1 65 65 MET N N 15 118.797 0.037 . 1 . . . . 537 MET N . 25345 1 292 . 1 1 66 66 ILE H H 1 7.828 0.011 . 1 . . . . 538 ILE HN . 25345 1 293 . 1 1 66 66 ILE C C 13 176.950 0.016 . 1 . . . . 538 ILE CO . 25345 1 294 . 1 1 66 66 ILE CA C 13 63.846 0.077 . 1 . . . . 538 ILE CA . 25345 1 295 . 1 1 66 66 ILE CB C 13 38.717 0.032 . 1 . . . . 538 ILE CB . 25345 1 296 . 1 1 66 66 ILE N N 15 112.478 0.021 . 1 . . . . 538 ILE N . 25345 1 297 . 1 1 67 67 ARG H H 1 7.498 0.005 . 1 . . . . 539 ARG HN . 25345 1 298 . 1 1 67 67 ARG C C 13 177.881 0.014 . 1 . . . . 539 ARG CO . 25345 1 299 . 1 1 67 67 ARG CA C 13 59.638 0.039 . 1 . . . . 539 ARG CA . 25345 1 300 . 1 1 67 67 ARG CB C 13 30.295 0.099 . 1 . . . . 539 ARG CB . 25345 1 301 . 1 1 67 67 ARG N N 15 120.003 0.024 . 1 . . . . 539 ARG N . 25345 1 302 . 1 1 68 68 ASP H H 1 7.915 0.003 . 1 . . . . 540 ASP HN . 25345 1 303 . 1 1 68 68 ASP C C 13 177.070 0.000 . 1 . . . . 540 ASP CO . 25345 1 304 . 1 1 68 68 ASP CA C 13 56.522 0.040 . 1 . . . . 540 ASP CA . 25345 1 305 . 1 1 68 68 ASP CB C 13 41.052 0.004 . 1 . . . . 540 ASP CB . 25345 1 306 . 1 1 68 68 ASP N N 15 114.426 0.071 . 1 . . . . 540 ASP N . 25345 1 307 . 1 1 69 69 VAL H H 1 7.384 0.004 . 1 . . . . 541 VAL HN . 25345 1 308 . 1 1 69 69 VAL C C 13 175.509 0.000 . 1 . . . . 541 VAL CO . 25345 1 309 . 1 1 69 69 VAL CA C 13 61.273 0.099 . 1 . . . . 541 VAL CA . 25345 1 310 . 1 1 69 69 VAL CB C 13 33.112 0.008 . 1 . . . . 541 VAL CB . 25345 1 311 . 1 1 69 69 VAL N N 15 111.309 0.029 . 1 . . . . 541 VAL N . 25345 1 312 . 1 1 70 70 ASP H H 1 7.618 0.007 . 1 . . . . 542 ASP HN . 25345 1 313 . 1 1 70 70 ASP C C 13 177.031 0.005 . 1 . . . . 542 ASP CO . 25345 1 314 . 1 1 70 70 ASP CA C 13 53.308 0.013 . 1 . . . . 542 ASP CA . 25345 1 315 . 1 1 70 70 ASP CB C 13 40.180 0.010 . 1 . . . . 542 ASP CB . 25345 1 316 . 1 1 70 70 ASP N N 15 121.671 0.010 . 1 . . . . 542 ASP N . 25345 1 317 . 1 1 71 71 LYS H H 1 8.127 0.004 . 1 . . . . 543 LYS HN . 25345 1 318 . 1 1 71 71 LYS C C 13 177.389 0.005 . 1 . . . . 543 LYS CO . 25345 1 319 . 1 1 71 71 LYS CA C 13 57.745 0.046 . 1 . . . . 543 LYS CA . 25345 1 320 . 1 1 71 71 LYS CB C 13 32.819 0.003 . 1 . . . . 543 LYS CB . 25345 1 321 . 1 1 71 71 LYS N N 15 125.832 0.023 . 1 . . . . 543 LYS N . 25345 1 322 . 1 1 72 72 ASN H H 1 7.986 0.006 . 1 . . . . 544 ASN HN . 25345 1 323 . 1 1 72 72 ASN C C 13 175.136 0.003 . 1 . . . . 544 ASN CO . 25345 1 324 . 1 1 72 72 ASN CA C 13 51.630 0.001 . 1 . . . . 544 ASN CA . 25345 1 325 . 1 1 72 72 ASN CB C 13 37.054 0.004 . 1 . . . . 544 ASN CB . 25345 1 326 . 1 1 72 72 ASN N N 15 113.893 0.049 . 1 . . . . 544 ASN N . 25345 1 327 . 1 1 73 73 ASN H H 1 7.869 0.003 . 1 . . . . 545 ASN HN . 25345 1 328 . 1 1 73 73 ASN C C 13 174.339 0.001 . 1 . . . . 545 ASN CO . 25345 1 329 . 1 1 73 73 ASN CA C 13 54.892 0.016 . 1 . . . . 545 ASN CA . 25345 1 330 . 1 1 73 73 ASN CB C 13 37.855 0.018 . 1 . . . . 545 ASN CB . 25345 1 331 . 1 1 73 73 ASN N N 15 115.041 0.044 . 1 . . . . 545 ASN N . 25345 1 332 . 1 1 74 74 ASP H H 1 8.290 0.002 . 1 . . . . 546 ASP HN . 25345 1 333 . 1 1 74 74 ASP C C 13 178.053 0.005 . 1 . . . . 546 ASP CO . 25345 1 334 . 1 1 74 74 ASP CA C 13 53.034 0.050 . 1 . . . . 546 ASP CA . 25345 1 335 . 1 1 74 74 ASP CB C 13 41.145 0.008 . 1 . . . . 546 ASP CB . 25345 1 336 . 1 1 74 74 ASP N N 15 117.195 0.009 . 1 . . . . 546 ASP N . 25345 1 337 . 1 1 75 75 GLY H H 1 10.603 0.007 . 1 . . . . 547 GLY HN . 25345 1 338 . 1 1 75 75 GLY C C 13 173.150 0.000 . 1 . . . . 547 GLY CO . 25345 1 339 . 1 1 75 75 GLY CA C 13 46.017 0.009 . 1 . . . . 547 GLY CA . 25345 1 340 . 1 1 75 75 GLY N N 15 113.524 0.033 . 1 . . . . 547 GLY N . 25345 1 341 . 1 1 76 76 LYS H H 1 8.036 0.002 . 1 . . . . 548 LYS HN . 25345 1 342 . 1 1 76 76 LYS C C 13 175.225 0.000 . 1 . . . . 548 LYS CO . 25345 1 343 . 1 1 76 76 LYS CA C 13 53.962 0.014 . 1 . . . . 548 LYS CA . 25345 1 344 . 1 1 76 76 LYS CB C 13 36.275 0.004 . 1 . . . . 548 LYS CB . 25345 1 345 . 1 1 76 76 LYS N N 15 118.822 0.005 . 1 . . . . 548 LYS N . 25345 1 346 . 1 1 77 77 ILE H H 1 9.321 0.003 . 1 . . . . 549 ILE HN . 25345 1 347 . 1 1 77 77 ILE C C 13 175.761 0.005 . 1 . . . . 549 ILE CO . 25345 1 348 . 1 1 77 77 ILE CA C 13 58.844 0.032 . 1 . . . . 549 ILE CA . 25345 1 349 . 1 1 77 77 ILE CB C 13 39.322 0.068 . 1 . . . . 549 ILE CB . 25345 1 350 . 1 1 77 77 ILE N N 15 124.105 0.012 . 1 . . . . 549 ILE N . 25345 1 351 . 1 1 78 78 ASP H H 1 8.780 0.003 . 1 . . . . 550 ASP HN . 25345 1 352 . 1 1 78 78 ASP C C 13 176.260 0.011 . 1 . . . . 550 ASP CO . 25345 1 353 . 1 1 78 78 ASP CA C 13 52.377 0.026 . 1 . . . . 550 ASP CA . 25345 1 354 . 1 1 78 78 ASP CB C 13 41.693 0.040 . 1 . . . . 550 ASP CB . 25345 1 355 . 1 1 78 78 ASP N N 15 127.901 0.015 . 1 . . . . 550 ASP N . 25345 1 356 . 1 1 79 79 PHE H H 1 8.844 0.004 . 1 . . . . 551 PHE HN . 25345 1 357 . 1 1 79 79 PHE C C 13 177.686 0.045 . 1 . . . . 551 PHE CO . 25345 1 358 . 1 1 79 79 PHE CA C 13 61.974 0.033 . 1 . . . . 551 PHE CA . 25345 1 359 . 1 1 79 79 PHE CB C 13 39.150 0.004 . 1 . . . . 551 PHE CB . 25345 1 360 . 1 1 79 79 PHE N N 15 118.207 0.026 . 1 . . . . 551 PHE N . 25345 1 361 . 1 1 80 80 HIS H H 1 8.179 0.010 . 1 . . . . 552 HIS HN . 25345 1 362 . 1 1 80 80 HIS C C 13 178.232 0.009 . 1 . . . . 552 HIS CO . 25345 1 363 . 1 1 80 80 HIS CA C 13 59.776 0.003 . 1 . . . . 552 HIS CA . 25345 1 364 . 1 1 80 80 HIS CB C 13 29.276 0.000 . 1 . . . . 552 HIS CB . 25345 1 365 . 1 1 80 80 HIS N N 15 120.816 0.037 . 1 . . . . 552 HIS N . 25345 1 366 . 1 1 81 81 GLU H H 1 8.949 0.004 . 1 . . . . 553 GLU HN . 25345 1 367 . 1 1 81 81 GLU C C 13 179.791 0.007 . 1 . . . . 553 GLU CO . 25345 1 368 . 1 1 81 81 GLU CA C 13 58.861 0.004 . 1 . . . . 553 GLU CA . 25345 1 369 . 1 1 81 81 GLU CB C 13 29.798 0.000 . 1 . . . . 553 GLU CB . 25345 1 370 . 1 1 81 81 GLU N N 15 120.777 0.057 . 1 . . . . 553 GLU N . 25345 1 371 . 1 1 82 82 PHE H H 1 9.123 0.004 . 1 . . . . 554 PHE HN . 25345 1 372 . 1 1 82 82 PHE C C 13 176.384 0.000 . 1 . . . . 554 PHE CO . 25345 1 373 . 1 1 82 82 PHE CA C 13 61.358 0.035 . 1 . . . . 554 PHE CA . 25345 1 374 . 1 1 82 82 PHE CB C 13 40.618 0.051 . 1 . . . . 554 PHE CB . 25345 1 375 . 1 1 82 82 PHE N N 15 121.459 0.059 . 1 . . . . 554 PHE N . 25345 1 376 . 1 1 83 83 SER H H 1 8.332 0.002 . 1 . . . . 555 SER HN . 25345 1 377 . 1 1 83 83 SER CA C 13 62.433 0.063 . 1 . . . . 555 SER CA . 25345 1 378 . 1 1 83 83 SER N N 15 114.307 0.011 . 1 . . . . 555 SER N . 25345 1 379 . 1 1 84 84 GLU H H 1 7.724 0.000 . 1 . . . . 556 GLU HN . 25345 1 380 . 1 1 84 84 GLU C C 13 179.285 0.000 . 1 . . . . 556 GLU CO . 25345 1 381 . 1 1 84 84 GLU CA C 13 59.001 0.000 . 1 . . . . 556 GLU CA . 25345 1 382 . 1 1 84 84 GLU CB C 13 29.402 0.000 . 1 . . . . 556 GLU CB . 25345 1 383 . 1 1 84 84 GLU N N 15 119.484 0.000 . 1 . . . . 556 GLU N . 25345 1 384 . 1 1 85 85 MET H H 1 7.780 0.003 . 1 . . . . 557 MET HN . 25345 1 385 . 1 1 85 85 MET C C 13 177.508 0.000 . 1 . . . . 557 MET CO . 25345 1 386 . 1 1 85 85 MET CA C 13 58.398 0.096 . 1 . . . . 557 MET CA . 25345 1 387 . 1 1 85 85 MET CB C 13 32.995 0.031 . 1 . . . . 557 MET CB . 25345 1 388 . 1 1 85 85 MET N N 15 119.662 0.019 . 1 . . . . 557 MET N . 25345 1 389 . 1 1 86 86 MET H H 1 7.343 0.004 . 1 . . . . 558 MET HN . 25345 1 390 . 1 1 86 86 MET C C 13 175.742 0.000 . 1 . . . . 558 MET CO . 25345 1 391 . 1 1 86 86 MET CA C 13 55.513 0.084 . 1 . . . . 558 MET CA . 25345 1 392 . 1 1 86 86 MET CB C 13 32.234 0.075 . 1 . . . . 558 MET CB . 25345 1 393 . 1 1 86 86 MET N N 15 116.188 0.032 . 1 . . . . 558 MET N . 25345 1 394 . 1 1 87 87 LYS H H 1 7.086 0.004 . 1 . . . . 559 LYS HN . 25345 1 395 . 1 1 87 87 LYS C C 13 176.510 0.047 . 1 . . . . 559 LYS CO . 25345 1 396 . 1 1 87 87 LYS CA C 13 56.184 0.057 . 1 . . . . 559 LYS CA . 25345 1 397 . 1 1 87 87 LYS CB C 13 32.992 0.045 . 1 . . . . 559 LYS CB . 25345 1 398 . 1 1 87 87 LYS N N 15 115.533 0.033 . 1 . . . . 559 LYS N . 25345 1 399 . 1 1 88 88 LEU H H 1 7.372 0.004 . 1 . . . . 560 LEU HN . 25345 1 400 . 1 1 88 88 LEU C C 13 176.611 0.000 . 1 . . . . 560 LEU CO . 25345 1 401 . 1 1 88 88 LEU CA C 13 55.393 0.048 . 1 . . . . 560 LEU CA . 25345 1 402 . 1 1 88 88 LEU CB C 13 42.442 0.023 . 1 . . . . 560 LEU CB . 25345 1 403 . 1 1 88 88 LEU N N 15 120.515 0.007 . 1 . . . . 560 LEU N . 25345 1 404 . 1 1 89 89 LYS H H 1 8.168 0.003 . 1 . . . . 561 LYS HN . 25345 1 405 . 1 1 89 89 LYS C C 13 175.218 0.002 . 1 . . . . 561 LYS CO . 25345 1 406 . 1 1 89 89 LYS CA C 13 56.174 0.100 . 1 . . . . 561 LYS CA . 25345 1 407 . 1 1 89 89 LYS CB C 13 33.057 0.011 . 1 . . . . 561 LYS CB . 25345 1 408 . 1 1 89 89 LYS N N 15 121.837 0.009 . 1 . . . . 561 LYS N . 25345 1 409 . 1 1 90 90 PHE H H 1 7.552 0.001 . 1 . . . . 562 PHE HN . 25345 1 410 . 1 1 90 90 PHE C C 13 179.958 0.000 . 1 . . . . 562 PHE CO . 25345 1 411 . 1 1 90 90 PHE CA C 13 58.691 0.000 . 1 . . . . 562 PHE CA . 25345 1 412 . 1 1 90 90 PHE CB C 13 40.410 0.000 . 1 . . . . 562 PHE CB . 25345 1 413 . 1 1 90 90 PHE N N 15 125.619 0.007 . 1 . . . . 562 PHE N . 25345 1 stop_ save_