################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 17503 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $FusB_buffer _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 '3D HNCA' 1 $FusB_1 isotropic 17503 1 2 '3D HN(CO)CA' 1 $FusB_1 isotropic 17503 1 3 'hncaco (H[N[ca[CO]]])' 1 $FusB_1 isotropic 17503 1 4 '3D HNCO' 1 $FusB_1 isotropic 17503 1 5 '3D HNCACB' 1 $FusB_1 isotropic 17503 1 6 'hncocacb (H[N[co[{CA|ca[C]}]]])' 1 $FusB_1 isotropic 17503 1 7 '2D 1H-15N HSQC/HMQC' 1 $FusB_1 isotropic 17503 1 8 '2D 1H-15N HSQC/HMQC' 2 $15N-val-FusB isotropic 17503 1 9 '2D 1H-15N HSQC/HMQC' 3 $15N-ile-FusB isotropic 17503 1 10 '2D 1H-15N HSQC/HMQC' 4 $15N-tyr-FusB isotropic 17503 1 11 '2D 1H-15N HSQC/HMQC' 5 $15N-leu-FusB isotropic 17503 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 13 13 GLY CA C 13 44.820 0.037 . 1 . 985 . . -7 GLY CA . 17503 1 2 . 1 1 14 14 LEU H H 1 8.025 0.008 . 1 . 462 . . -6 LEU H . 17503 1 3 . 1 1 14 14 LEU CA C 13 54.674 0.011 . 1 . 979 . . -6 LEU CA . 17503 1 4 . 1 1 14 14 LEU CB C 13 41.214 0.075 . 1 . 978 . . -6 LEU CB . 17503 1 5 . 1 1 14 14 LEU N N 15 121.257 0.036 . 1 . 461 . . -6 LEU N . 17503 1 6 . 1 1 15 15 VAL H H 1 8.049 0.023 . 1 . 93 . . -5 VAL H . 17503 1 7 . 1 1 15 15 VAL C C 13 174.456 0.019 . 1 . 983 . . -5 VAL C . 17503 1 8 . 1 1 15 15 VAL CA C 13 59.290 0.017 . 1 . 980 . . -5 VAL CA . 17503 1 9 . 1 1 15 15 VAL CB C 13 31.616 0.041 . 1 . 982 . . -5 VAL CB . 17503 1 10 . 1 1 15 15 VAL N N 15 122.179 0.159 . 1 . 94 . . -5 VAL N . 17503 1 11 . 1 1 22 22 LYS H H 1 8.338 0.008 . 1 . 85 . . 2 LYS H . 17503 1 12 . 1 1 22 22 LYS C C 13 177.581 0.044 . 1 . 928 . . 2 LYS C . 17503 1 13 . 1 1 22 22 LYS CA C 13 56.080 0.067 . 1 . 566 . . 2 LYS CA . 17503 1 14 . 1 1 22 22 LYS CB C 13 32.684 0.055 . 1 . 929 . . 2 LYS CB . 17503 1 15 . 1 1 22 22 LYS N N 15 122.404 0.026 . 1 . 86 . . 2 LYS N . 17503 1 16 . 1 1 23 23 THR H H 1 8.321 0.004 . 1 . 243 . . 3 THR H . 17503 1 17 . 1 1 23 23 THR CA C 13 61.871 0.009 . 1 . 559 . . 3 THR CA . 17503 1 18 . 1 1 23 23 THR CB C 13 69.012 0.022 . 1 . 558 . . 3 THR CB . 17503 1 19 . 1 1 23 23 THR N N 15 117.992 0.047 . 1 . 567 . . 3 THR N . 17503 1 20 . 1 1 24 24 MET H H 1 8.092 0.005 . 1 . 99 . . 4 MET H . 17503 1 21 . 1 1 24 24 MET C C 13 175.343 0.001 . 1 . 561 . . 4 MET C . 17503 1 22 . 1 1 24 24 MET CB C 13 33.798 0.012 . 1 . 560 . . 4 MET CB . 17503 1 23 . 1 1 24 24 MET N N 15 121.792 0.029 . 1 . 100 . . 4 MET N . 17503 1 24 . 1 1 25 25 ILE H H 1 8.527 0.008 . 1 . 311 . . 5 ILE H . 17503 1 25 . 1 1 25 25 ILE C C 13 173.883 0.022 . 1 . 564 . . 5 ILE C . 17503 1 26 . 1 1 25 25 ILE CA C 13 58.605 0.007 . 1 . 568 . . 5 ILE CA . 17503 1 27 . 1 1 25 25 ILE CB C 13 40.637 0.082 . 1 . 563 . . 5 ILE CB . 17503 1 28 . 1 1 25 25 ILE N N 15 114.511 0.014 . 1 . 312 . . 5 ILE N . 17503 1 29 . 1 1 26 26 TYR H H 1 8.612 0.006 . 1 . 225 . . 6 TYR H . 17503 1 30 . 1 1 26 26 TYR C C 13 175.975 0.020 . 1 . 919 . . 6 TYR C . 17503 1 31 . 1 1 26 26 TYR CA C 13 56.951 0.036 . 1 . 918 . . 6 TYR CA . 17503 1 32 . 1 1 26 26 TYR CB C 13 37.912 0.050 . 1 . 920 . . 6 TYR CB . 17503 1 33 . 1 1 26 26 TYR N N 15 118.544 0.025 . 1 . 226 . . 6 TYR N . 17503 1 34 . 1 1 27 27 PRO C C 13 177.372 0.032 . 1 . 930 . . 7 PRO C . 17503 1 35 . 1 1 27 27 PRO CA C 13 66.727 0.024 . 1 . 925 . . 7 PRO CA . 17503 1 36 . 1 1 28 28 HIS H H 1 8.390 0.007 . 1 . 419 . . 8 HIS H . 17503 1 37 . 1 1 28 28 HIS C C 13 176.965 0.008 . 1 . 923 . . 8 HIS C . 17503 1 38 . 1 1 28 28 HIS CA C 13 59.177 0.054 . 1 . 921 . . 8 HIS CA . 17503 1 39 . 1 1 28 28 HIS CB C 13 27.863 0.103 . 1 . 922 . . 8 HIS CB . 17503 1 40 . 1 1 28 28 HIS N N 15 111.709 0.066 . 1 . 420 . . 8 HIS N . 17503 1 41 . 1 1 29 29 GLN H H 1 6.766 0.006 . 1 . 227 . . 9 GLN H . 17503 1 42 . 1 1 29 29 GLN C C 13 178.435 0.027 . 1 . 924 . . 9 GLN C . 17503 1 43 . 1 1 29 29 GLN CA C 13 57.241 0.029 . 1 . 926 . . 9 GLN CA . 17503 1 44 . 1 1 29 29 GLN CB C 13 28.120 0.058 . 1 . 927 . . 9 GLN CB . 17503 1 45 . 1 1 29 29 GLN N N 15 118.562 0.027 . 1 . 228 . . 9 GLN N . 17503 1 46 . 1 1 30 30 TYR H H 1 7.911 0.01 . 1 . 1008 . . 10 TYR H . 17503 1 47 . 1 1 30 30 TYR C C 13 176.677 0.041 . 1 . 573 . . 10 TYR C . 17503 1 48 . 1 1 30 30 TYR CA C 13 61.716 0.059 . 1 . 853 . . 10 TYR CA . 17503 1 49 . 1 1 30 30 TYR CB C 13 37.073 0.006 . 1 . 574 . . 10 TYR CB . 17503 1 50 . 1 1 30 30 TYR N N 15 120.945 0.031 . 1 . 1009 . . 10 TYR N . 17503 1 51 . 1 1 31 31 ASN H H 1 8.658 0.007 . 1 . 249 . . 11 ASN H . 17503 1 52 . 1 1 31 31 ASN C C 13 179.171 0.02 . 1 . 572 . . 11 ASN C . 17503 1 53 . 1 1 31 31 ASN CA C 13 55.382 0.009 . 1 . 570 . . 11 ASN CA . 17503 1 54 . 1 1 31 31 ASN CB C 13 36.106 0.034 . 1 . 571 . . 11 ASN CB . 17503 1 55 . 1 1 31 31 ASN N N 15 117.947 0.02 . 1 . 250 . . 11 ASN N . 17503 1 56 . 1 1 32 32 TYR H H 1 8.344 0.006 . 1 . 75 . . 12 TYR H . 17503 1 57 . 1 1 32 32 TYR C C 13 177.520 0.01 . 1 . 576 . . 12 TYR C . 17503 1 58 . 1 1 32 32 TYR CA C 13 61.927 0.032 . 1 . 575 . . 12 TYR CA . 17503 1 59 . 1 1 32 32 TYR CB C 13 36.993 0.186 . 1 . 1047 . . 12 TYR CB . 17503 1 60 . 1 1 32 32 TYR N N 15 122.949 0.027 . 1 . 76 . . 12 TYR N . 17503 1 61 . 1 1 33 33 ILE H H 1 8.519 0.004 . 1 . 458 . . 13 ILE H . 17503 1 62 . 1 1 33 33 ILE C C 13 177.029 0.013 . 1 . 578 . . 13 ILE C . 17503 1 63 . 1 1 33 33 ILE CA C 13 64.861 0.059 . 1 . 577 . . 13 ILE CA . 17503 1 64 . 1 1 33 33 ILE CB C 13 36.026 0.040 . 1 . 1085 . . 13 ILE CB . 17503 1 65 . 1 1 33 33 ILE N N 15 121.909 0.029 . 1 . 457 . . 13 ILE N . 17503 1 66 . 1 1 34 34 ARG H H 1 8.579 0.007 . 1 . 193 . . 14 ARG H . 17503 1 67 . 1 1 34 34 ARG C C 13 177.226 0.001 . 1 . 589 . . 14 ARG C . 17503 1 68 . 1 1 34 34 ARG CA C 13 59.757 0.016 . 1 . 579 . . 14 ARG CA . 17503 1 69 . 1 1 34 34 ARG CB C 13 28.217 0.06 . 1 . 588 . . 14 ARG CB . 17503 1 70 . 1 1 34 34 ARG N N 15 119.460 0.026 . 1 . 194 . . 14 ARG N . 17503 1 71 . 1 1 35 35 SER H H 1 7.710 0.01 . 1 . 337 . . 15 SER H . 17503 1 72 . 1 1 35 35 SER C C 13 177.360 0.011 . 1 . 582 . . 15 SER C . 17503 1 73 . 1 1 35 35 SER CA C 13 61.370 00.015 . 1 . 586 . . 15 SER CA . 17503 1 74 . 1 1 35 35 SER CB C 13 62.048 0.067 . 1 . 581 . . 15 SER CB . 17503 1 75 . 1 1 35 35 SER N N 15 113.473 0.023 . 1 . 338 . . 15 SER N . 17503 1 76 . 1 1 36 36 VAL H H 1 7.941 0.018 . 1 . 583 . . 16 VAL H . 17503 1 77 . 1 1 36 36 VAL C C 13 179.004 0.019 . 1 . 587 . . 16 VAL C . 17503 1 78 . 1 1 36 36 VAL CA C 13 64.986 0.017 . 1 . 585 . . 16 VAL CA . 17503 1 79 . 1 1 36 36 VAL CB C 13 30.367 0.041 . 1 . 580 . . 16 VAL CB . 17503 1 80 . 1 1 36 36 VAL N N 15 120.975 0.249 . 1 . 584 . . 16 VAL N . 17503 1 81 . 1 1 37 37 ILE C C 13 176.941 0.021 . 1 . 854 . . 17 ILE C . 17503 1 82 . 1 1 37 37 ILE CA C 13 65.771 0.021 . 1 . 590 . . 17 ILE CA . 17503 1 83 . 1 1 37 37 ILE CB C 13 36.237 0.040 . 1 . 855 . . 17 ILE CB . 17503 1 84 . 1 1 38 38 LEU H H 1 8.265 0.008 . 1 . 197 . . 18 LEU H . 17503 1 85 . 1 1 38 38 LEU C C 13 180.360 0.001 . 1 . 592 . . 18 LEU C . 17503 1 86 . 1 1 38 38 LEU CA C 13 57.516 0.028 . 1 . 502 . . 18 LEU CA . 17503 1 87 . 1 1 38 38 LEU CB C 13 39.112 0.014 . 1 . 591 . . 18 LEU CB . 17503 1 88 . 1 1 38 38 LEU N N 15 119.417 0.026 . 1 . 198 . . 18 LEU N . 17503 1 89 . 1 1 39 39 ARG H H 1 7.797 0.006 . 1 . 135 . . 19 ARG H . 17503 1 90 . 1 1 39 39 ARG C C 13 178.204 0.014 . 1 . 594 . . 19 ARG C . 17503 1 91 . 1 1 39 39 ARG CA C 13 58.874 0.004 . 1 . 503 . . 19 ARG CA . 17503 1 92 . 1 1 39 39 ARG CB C 13 28.893 0.062 . 1 . 593 . . 19 ARG CB . 17503 1 93 . 1 1 39 39 ARG N N 15 120.723 0.021 . 1 . 136 . . 19 ARG N . 17503 1 94 . 1 1 40 40 LEU H H 1 7.754 0.008 . 1 . 95 . . 20 LEU H . 17503 1 95 . 1 1 40 40 LEU C C 13 176.852 0.035 . 1 . 596 . . 20 LEU C . 17503 1 96 . 1 1 40 40 LEU CA C 13 57.307 0.014 . 1 . 504 . . 20 LEU CA . 17503 1 97 . 1 1 40 40 LEU CB C 13 40.171 0.056 . 1 . 595 . . 20 LEU CB . 17503 1 98 . 1 1 40 40 LEU N N 15 122.020 0.034 . 1 . 96 . . 20 LEU N . 17503 1 99 . 1 1 41 41 LYS H H 1 7.982 0.008 . 1 . 279 . . 21 LYS H . 17503 1 100 . 1 1 41 41 LYS C C 13 178.095 0.026 . 1 . 598 . . 21 LYS C . 17503 1 101 . 1 1 41 41 LYS CA C 13 58.218 0.014 . 1 . 505 . . 21 LYS CA . 17503 1 102 . 1 1 41 41 LYS CB C 13 30.734 0.079 . 1 . 597 . . 21 LYS CB . 17503 1 103 . 1 1 41 41 LYS N N 15 116.527 0.07 . 1 . 280 . . 21 LYS N . 17503 1 104 . 1 1 42 42 ASN H H 1 7.650 0.009 . 1 . 285 . . 22 ASN H . 17503 1 105 . 1 1 42 42 ASN C C 13 178.959 0.017 . 1 . 600 . . 22 ASN C . 17503 1 106 . 1 1 42 42 ASN CA C 13 56.357 0.019 . 1 . 506 . . 22 ASN CA . 17503 1 107 . 1 1 42 42 ASN CB C 13 38.188 0.049 . 1 . 599 . . 22 ASN CB . 17503 1 108 . 1 1 42 42 ASN N N 15 116.116 0.066 . 1 . 286 . . 22 ASN N . 17503 1 109 . 1 1 43 43 VAL H H 1 8.391 0.015 . 1 . 41 . . 23 VAL H . 17503 1 110 . 1 1 43 43 VAL C C 13 177.845 0.007 . 1 . 602 . . 23 VAL C . 17503 1 111 . 1 1 43 43 VAL CA C 13 66.280 0.03 . 1 . 507 . . 23 VAL CA . 17503 1 112 . 1 1 43 43 VAL CB C 13 30.004 0.046 . 1 . 601 . . 23 VAL CB . 17503 1 113 . 1 1 43 43 VAL N N 15 125.156 0.218 . 1 . 42 . . 23 VAL N . 17503 1 114 . 1 1 44 44 TYR H H 1 8.440 0.007 . 1 . 241 . . 24 TYR H . 17503 1 115 . 1 1 44 44 TYR C C 13 178.987 0.015 . 1 . 604 . . 24 TYR C . 17503 1 116 . 1 1 44 44 TYR CA C 13 56.384 0.039 . 1 . 508 . . 24 TYR CA . 17503 1 117 . 1 1 44 44 TYR CB C 13 35.482 0.024 . 1 . 603 . . 24 TYR CB . 17503 1 118 . 1 1 44 44 TYR N N 15 118.178 0.015 . 1 . 242 . . 24 TYR N . 17503 1 119 . 1 1 45 45 LYS H H 1 7.731 0.007 . 1 . 295 . . 25 LYS H . 17503 1 120 . 1 1 45 45 LYS C C 13 178.094 0.028 . 1 . 606 . . 25 LYS C . 17503 1 121 . 1 1 45 45 LYS CA C 13 57.465 0.028 . 1 . 509 . . 25 LYS CA . 17503 1 122 . 1 1 45 45 LYS CB C 13 32.638 0.03 . 1 . 605 . . 25 LYS CB . 17503 1 123 . 1 1 45 45 LYS N N 15 115.963 0.033 . 1 . 296 . . 25 LYS N . 17503 1 124 . 1 1 46 46 THR H H 1 7.808 0.007 . 1 . 441 . . 26 THR H . 17503 1 125 . 1 1 46 46 THR C C 13 174.957 0.014 . 1 . 954 . . 26 THR C . 17503 1 126 . 1 1 46 46 THR CA C 13 62.327 0.011 . 1 . 510 . . 26 THR CA . 17503 1 127 . 1 1 46 46 THR CB C 13 71.299 0.063 . 1 . 607 . . 26 THR CB . 17503 1 128 . 1 1 46 46 THR N N 15 106.894 0.029 . 1 . 442 . . 26 THR N . 17503 1 129 . 1 1 47 47 VAL H H 1 8.601 0.024 . 1 . 43 . . 27 VAL H . 17503 1 130 . 1 1 47 47 VAL C C 13 174.918 0.019 . 1 . 608 . . 27 VAL C . 17503 1 131 . 1 1 47 47 VAL CA C 13 62.589 0.017 . 1 . 511 . . 27 VAL CA . 17503 1 132 . 1 1 47 47 VAL CB C 13 30.704 0.041 . 1 . 609 . . 27 VAL CB . 17503 1 133 . 1 1 47 47 VAL N N 15 124.854 0.227 . 1 . 44 . . 27 VAL N . 17503 1 134 . 1 1 51 51 GLU H H 1 8.518 0.007 . 1 . 217 . . 31 GLU H . 17503 1 135 . 1 1 51 51 GLU C C 13 179.041 0.054 . 1 . 611 . . 31 GLU C . 17503 1 136 . 1 1 51 51 GLU CA C 13 58.735 0.054 . 1 . 513 . . 31 GLU CA . 17503 1 137 . 1 1 51 51 GLU CB C 13 27.694 0.051 . 1 . 610 . . 31 GLU CB . 17503 1 138 . 1 1 51 51 GLU N N 15 118.872 0.023 . 1 . 218 . . 31 GLU N . 17503 1 139 . 1 1 52 52 THR H H 1 7.741 0.007 . 1 . 263 . . 32 THR H . 17503 1 140 . 1 1 52 52 THR C C 13 176.293 0.007 . 1 . 613 . . 32 THR C . 17503 1 141 . 1 1 52 52 THR CA C 13 66.159 0.025 . 1 . 512 . . 32 THR CA . 17503 1 142 . 1 1 52 52 THR CB C 13 67.428 0.115 . 1 . 612 . . 32 THR CB . 17503 1 143 . 1 1 52 52 THR N N 15 117.530 0.029 . 1 . 264 . . 32 THR N . 17503 1 144 . 1 1 53 53 VAL H H 1 7.722 0.018 . 1 . 173 . . 33 VAL H . 17503 1 145 . 1 1 53 53 VAL C C 13 177.159 0.033 . 1 . 615 . . 33 VAL C . 17503 1 146 . 1 1 53 53 VAL CA C 13 67.055 0.018 . 1 . 514 . . 33 VAL CA . 17503 1 147 . 1 1 53 53 VAL CB C 13 30.561 0.047 . 1 . 614 . . 33 VAL CB . 17503 1 148 . 1 1 53 53 VAL N N 15 120.071 0.25 . 1 . 174 . . 33 VAL N . 17503 1 149 . 1 1 54 54 LYS H H 1 7.758 0.007 . 1 . 235 . . 34 LYS H . 17503 1 150 . 1 1 54 54 LYS C C 13 179.875 0.026 . 1 . 617 . . 34 LYS C . 17503 1 151 . 1 1 54 54 LYS CA C 13 59.000 0.025 . 1 . 515 . . 34 LYS CA . 17503 1 152 . 1 1 54 54 LYS CB C 13 31.244 0.054 . 1 . 616 . . 34 LYS CB . 17503 1 153 . 1 1 54 54 LYS N N 15 118.253 0.058 . 1 . 236 . . 34 LYS N . 17503 1 154 . 1 1 55 55 VAL H H 1 7.768 0.02 . 1 . 153 . . 35 VAL H . 17503 1 155 . 1 1 55 55 VAL C C 13 178.704 0.024 . 1 . 619 . . 35 VAL C . 17503 1 156 . 1 1 55 55 VAL CA C 13 66.134 0.017 . 1 . 516 . . 35 VAL CA . 17503 1 157 . 1 1 55 55 VAL CB C 13 30.846 0.041 . 1 . 618 . . 35 VAL CB . 17503 1 158 . 1 1 55 55 VAL N N 15 120.474 0.235 . 1 . 154 . . 35 VAL N . 17503 1 159 . 1 1 56 56 ILE H H 1 7.980 0.006 . 1 . 127 . . 36 ILE H . 17503 1 160 . 1 1 56 56 ILE C C 13 180.808 0.011 . 1 . 621 . . 36 ILE C . 17503 1 161 . 1 1 56 56 ILE CA C 13 63.703 0.053 . 1 . 517 . . 36 ILE CA . 17503 1 162 . 1 1 56 56 ILE CB C 13 36.308 0.018 . 1 . 620 . . 36 ILE CB . 17503 1 163 . 1 1 56 56 ILE N N 15 120.926 0.025 . 1 . 128 . . 36 ILE N . 17503 1 164 . 1 1 57 57 GLN H H 1 9.287 0.005 . 1 . 53 . . 37 GLN H . 17503 1 165 . 1 1 57 57 GLN C C 13 177.918 0.06 . 1 . 623 . . 37 GLN C . 17503 1 166 . 1 1 57 57 GLN CA C 13 60.308 0.011 . 1 . 518 . . 37 GLN CA . 17503 1 167 . 1 1 57 57 GLN CB C 13 28.370 0.067 . 1 . 622 . . 37 GLN CB . 17503 1 168 . 1 1 57 57 GLN N N 15 123.710 0.032 . 1 . 54 . . 37 GLN N . 17503 1 169 . 1 1 58 58 SER H H 1 8.131 0.008 . 1 . 309 . . 38 SER H . 17503 1 170 . 1 1 58 58 SER C C 13 176.874 0.009 . 1 . 625 . . 38 SER C . 17503 1 171 . 1 1 58 58 SER CA C 13 61.520 0.02 . 1 . 519 . . 38 SER CA . 17503 1 172 . 1 1 58 58 SER CB C 13 62.082 0.078 . 1 . 624 . . 38 SER CB . 17503 1 173 . 1 1 58 58 SER N N 15 114.695 0.022 . 1 . 310 . . 38 SER N . 17503 1 174 . 1 1 59 59 GLU H H 1 8.498 0.009 . 1 . 97 . . 39 GLU H . 17503 1 175 . 1 1 59 59 GLU C C 13 178.952 0.024 . 1 . 627 . . 39 GLU C . 17503 1 176 . 1 1 59 59 GLU CA C 13 59.117 0.034 . 1 . 520 . . 39 GLU CA . 17503 1 177 . 1 1 59 59 GLU CB C 13 29.140 0.146 . 1 . 626 . . 39 GLU CB . 17503 1 178 . 1 1 59 59 GLU N N 15 121.782 0.066 . 1 . 98 . . 39 GLU N . 17503 1 179 . 1 1 60 60 THR H H 1 8.278 0.007 . 1 . 293 . . 40 THR H . 17503 1 180 . 1 1 60 60 THR C C 13 175.295 0.023 . 1 . 629 . . 40 THR C . 17503 1 181 . 1 1 60 60 THR CA C 13 67.113 0.031 . 1 . 521 . . 40 THR CA . 17503 1 182 . 1 1 60 60 THR CB C 13 67.814 0.005 . 1 . 628 . . 40 THR CB . 17503 1 183 . 1 1 60 60 THR N N 15 115.955 0.038 . 1 . 294 . . 40 THR N . 17503 1 184 . 1 1 61 61 TYR H H 1 8.486 0.005 . 1 . 103 . . 41 TYR H . 17503 1 185 . 1 1 61 61 TYR C C 13 177.751 0.022 . 1 . 631 . . 41 TYR C . 17503 1 186 . 1 1 61 61 TYR CA C 13 61.925 0.029 . 1 . 523 . . 41 TYR CA . 17503 1 187 . 1 1 61 61 TYR CB C 13 37.759 0.016 . 1 . 630 . . 41 TYR CB . 17503 1 188 . 1 1 61 61 TYR N N 15 121.675 0.05 . 1 . 104 . . 41 TYR N . 17503 1 189 . 1 1 62 62 ASN H H 1 8.507 0.007 . 1 . 269 . . 42 ASN H . 17503 1 190 . 1 1 62 62 ASN C C 13 177.508 0.032 . 1 . 633 . . 42 ASN C . 17503 1 191 . 1 1 62 62 ASN CA C 13 56.194 0.02 . 1 . 522 . . 42 ASN CA . 17503 1 192 . 1 1 62 62 ASN CB C 13 37.484 0.007 . 1 . 632 . . 42 ASN CB . 17503 1 193 . 1 1 62 62 ASN N N 15 117.091 0.02 . 1 . 270 . . 42 ASN N . 17503 1 194 . 1 1 63 63 ASP H H 1 8.534 0.006 . 1 . 131 . . 43 ASP H . 17503 1 195 . 1 1 63 63 ASP C C 13 178.831 0.014 . 1 . 635 . . 43 ASP C . 17503 1 196 . 1 1 63 63 ASP CA C 13 57.010 0.034 . 1 . 524 . . 43 ASP CA . 17503 1 197 . 1 1 63 63 ASP CB C 13 40.373 0.147 . 1 . 634 . . 43 ASP CB . 17503 1 198 . 1 1 63 63 ASP N N 15 120.940 0.028 . 1 . 132 . . 43 ASP N . 17503 1 199 . 1 1 64 64 ILE H H 1 7.939 0.008 . 1 . 267 . . 44 ILE H . 17503 1 200 . 1 1 64 64 ILE C C 13 177.591 0.043 . 1 . 637 . . 44 ILE C . 17503 1 201 . 1 1 64 64 ILE CA C 13 65.421 0.022 . 1 . 525 . . 44 ILE CA . 17503 1 202 . 1 1 64 64 ILE CB C 13 36.553 0.040 . 1 . 636 . . 44 ILE CB . 17503 1 203 . 1 1 64 64 ILE N N 15 117.401 0.024 . 1 . 268 . . 44 ILE N . 17503 1 204 . 1 1 65 65 ASN H H 1 8.314 0.007 . 1 . 257 . . 45 ASN H . 17503 1 205 . 1 1 65 65 ASN C C 13 177.688 0.023 . 1 . 639 . . 45 ASN C . 17503 1 206 . 1 1 65 65 ASN CA C 13 56.558 0.019 . 1 . 526 . . 45 ASN CA . 17503 1 207 . 1 1 65 65 ASN CB C 13 38.753 0.033 . 1 . 638 . . 45 ASN CB . 17503 1 208 . 1 1 65 65 ASN N N 15 117.700 0.026 . 1 . 258 . . 45 ASN N . 17503 1 209 . 1 1 66 66 GLU H H 1 8.324 0.007 . 1 . 470 . . 46 GLU H . 17503 1 210 . 1 1 66 66 GLU C C 13 178.618 0.033 . 1 . 641 . . 46 GLU C . 17503 1 211 . 1 1 66 66 GLU CA C 13 58.478 0.025 . 1 . 527 . . 46 GLU CA . 17503 1 212 . 1 1 66 66 GLU CB C 13 28.648 0.016 . 1 . 640 . . 46 GLU CB . 17503 1 213 . 1 1 66 66 GLU N N 15 118.128 0.033 . 1 . 469 . . 46 GLU N . 17503 1 214 . 1 1 67 67 ILE H H 1 7.563 0.008 . 1 . 207 . . 47 ILE H . 17503 1 215 . 1 1 67 67 ILE C C 13 176.994 0.014 . 1 . 643 . . 47 ILE C . 17503 1 216 . 1 1 67 67 ILE CA C 13 63.601 0.038 . 1 . 528 . . 47 ILE CA . 17503 1 217 . 1 1 67 67 ILE CB C 13 36.852 0.022 . 1 . 642 . . 47 ILE CB . 17503 1 218 . 1 1 67 67 ILE N N 15 119.061 0.02 . 1 . 208 . . 47 ILE N . 17503 1 219 . 1 1 68 68 PHE H H 1 7.600 0.009 . 1 . 305 . . 48 PHE H . 17503 1 220 . 1 1 68 68 PHE C C 13 177.792 0.033 . 1 . 645 . . 48 PHE C . 17503 1 221 . 1 1 68 68 PHE CA C 13 60.701 0.021 . 1 . 529 . . 48 PHE CA . 17503 1 222 . 1 1 68 68 PHE CB C 13 39.538 0.026 . 1 . 644 . . 48 PHE CB . 17503 1 223 . 1 1 68 68 PHE N N 15 114.852 0.011 . 1 . 306 . . 48 PHE N . 17503 1 224 . 1 1 69 69 GLY H H 1 8.246 0.001 . 1 . 431 . . 49 GLY H . 17503 1 225 . 1 1 69 69 GLY C C 13 173.897 0.007 . 1 . 646 . . 49 GLY C . 17503 1 226 . 1 1 69 69 GLY CA C 13 46.245 0.013 . 1 . 530 . . 49 GLY CA . 17503 1 227 . 1 1 69 69 GLY N N 15 109.402 0.028 . 1 . 432 . . 49 GLY N . 17503 1 228 . 1 1 70 70 HIS H H 1 7.888 0.006 . 1 . 129 . . 50 HIS H . 17503 1 229 . 1 1 70 70 HIS CA C 13 55.310 0.011 . 1 . 531 . . 50 HIS CA . 17503 1 230 . 1 1 70 70 HIS CB C 13 30.903 0.061 . 1 . 647 . . 50 HIS CB . 17503 1 231 . 1 1 70 70 HIS N N 15 120.955 0.008 . 1 . 130 . . 50 HIS N . 17503 1 232 . 1 1 71 71 ILE H H 1 8.044 0.007 . 1 . 117 . . 51 ILE H . 17503 1 233 . 1 1 71 71 ILE C C 13 174.365 0.033 . 1 . 649 . . 51 ILE C . 17503 1 234 . 1 1 71 71 ILE CA C 13 59.501 0.008 . 1 . 532 . . 51 ILE CA . 17503 1 235 . 1 1 71 71 ILE CB C 13 37.439 0.115 . 1 . 648 . . 51 ILE CB . 17503 1 236 . 1 1 71 71 ILE N N 15 121.235 0.03 . 1 . 118 . . 51 ILE N . 17503 1 237 . 1 1 72 72 ASP H H 1 7.058 0.005 . 1 . 73 . . 52 ASP H . 17503 1 238 . 1 1 72 72 ASP C C 13 175.876 0.041 . 1 . 651 . . 52 ASP C . 17503 1 239 . 1 1 72 72 ASP CA C 13 52.056 0.006 . 1 . 533 . . 52 ASP CA . 17503 1 240 . 1 1 72 72 ASP CB C 13 41.273 0.104 . 1 . 650 . . 52 ASP CB . 17503 1 241 . 1 1 72 72 ASP N N 15 123.058 0.024 . 1 . 74 . . 52 ASP N . 17503 1 242 . 1 1 73 73 ASP H H 1 8.349 0.008 . 1 . 265 . . 53 ASP H . 17503 1 243 . 1 1 73 73 ASP C C 13 178.265 0.078 . 1 . 955 . . 53 ASP C . 17503 1 244 . 1 1 73 73 ASP CA C 13 57.139 0.032 . 1 . 534 . . 53 ASP CA . 17503 1 245 . 1 1 73 73 ASP CB C 13 40.295 0.341 . 1 . 652 . . 53 ASP CB . 17503 1 246 . 1 1 73 73 ASP N N 15 117.418 0.04 . 1 . 266 . . 53 ASP N . 17503 1 247 . 1 1 74 74 ASP H H 1 8.218 0.008 . 1 . 183 . . 54 ASP H . 17503 1 248 . 1 1 74 74 ASP C C 13 179.379 0.296 . 1 . 675 . . 54 ASP C . 17503 1 249 . 1 1 74 74 ASP CA C 13 56.599 0.043 . 1 . 544 . . 54 ASP CA . 17503 1 250 . 1 1 74 74 ASP CB C 13 39.966 0.072 . 1 . 674 . . 54 ASP CB . 17503 1 251 . 1 1 74 74 ASP N N 15 119.672 0.024 . 1 . 184 . . 54 ASP N . 17503 1 252 . 1 1 75 75 ILE H H 1 8.557 0.008 . 1 . 69 . . 55 ILE H . 17503 1 253 . 1 1 75 75 ILE C C 13 177.802 0.035 . 1 . 678 . . 55 ILE C . 17503 1 254 . 1 1 75 75 ILE CA C 13 63.984 0.023 . 1 . 545 . . 55 ILE CA . 17503 1 255 . 1 1 75 75 ILE CB C 13 36.469 0.056 . 1 . 677 . . 55 ILE CB . 17503 1 256 . 1 1 75 75 ILE N N 15 123.183 0.097 . 1 . 70 . . 55 ILE N . 17503 1 257 . 1 1 76 76 GLU H H 1 8.492 0.007 . 1 . 123 . . 56 GLU H . 17503 1 258 . 1 1 76 76 GLU C C 13 179.005 0.018 . 1 . 679 . . 56 GLU C . 17503 1 259 . 1 1 76 76 GLU CA C 13 59.825 0.004 . 1 . 546 . . 56 GLU CA . 17503 1 260 . 1 1 76 76 GLU N N 15 121.201 0.058 . 1 . 124 . . 56 GLU N . 17503 1 261 . 1 1 77 77 GLU H H 1 8.010 0.008 . 1 . 245 . . 57 GLU H . 17503 1 262 . 1 1 77 77 GLU C C 13 179.048 0.325 . 1 . 680 . . 57 GLU C . 17503 1 263 . 1 1 77 77 GLU CA C 13 59.001 0.039 . 1 . 547 . . 57 GLU CA . 17503 1 264 . 1 1 77 77 GLU CB C 13 28.292 0.006 . 1 . 809 . . 57 GLU CB . 17503 1 265 . 1 1 77 77 GLU N N 15 118.024 0.023 . 1 . 246 . . 57 GLU N . 17503 1 266 . 1 1 79 79 LEU H H 1 8.487 0.007 . 1 . 133 . . 59 LEU H . 17503 1 267 . 1 1 79 79 LEU C C 13 178.492 0.002 . 1 . 657 . . 59 LEU C . 17503 1 268 . 1 1 79 79 LEU CA C 13 57.552 0.034 . 1 . 653 . . 59 LEU CA . 17503 1 269 . 1 1 79 79 LEU CB C 13 39.957 0.037 . 1 . 655 . . 59 LEU CB . 17503 1 270 . 1 1 79 79 LEU N N 15 120.851 0.11 . 1 . 134 . . 59 LEU N . 17503 1 271 . 1 1 80 80 LYS H H 1 7.853 0.008 . 1 . 237 . . 60 LYS H . 17503 1 272 . 1 1 80 80 LYS C C 13 180.385 0.02 . 1 . 656 . . 60 LYS C . 17503 1 273 . 1 1 80 80 LYS CA C 13 59.558 0.034 . 1 . 535 . . 60 LYS CA . 17503 1 274 . 1 1 80 80 LYS CB C 13 31.212 0.037 . 1 . 654 . . 60 LYS CB . 17503 1 275 . 1 1 80 80 LYS N N 15 118.217 0.026 . 1 . 238 . . 60 LYS N . 17503 1 276 . 1 1 81 81 VAL H H 1 7.522 0.02 . 1 . 137 . . 61 VAL H . 17503 1 277 . 1 1 81 81 VAL C C 13 178.516 0.017 . 1 . 658 . . 61 VAL C . 17503 1 278 . 1 1 81 81 VAL CA C 13 65.630 0.008 . 1 . 536 . . 61 VAL CA . 17503 1 279 . 1 1 81 81 VAL CB C 13 30.679 0.005 . 1 . 1048 . . 61 VAL CB . 17503 1 280 . 1 1 81 81 VAL N N 15 120.815 0.251 . 1 . 138 . . 61 VAL N . 17503 1 281 . 1 1 82 82 LEU H H 1 7.771 0.007 . 1 . 289 . . 62 LEU H . 17503 1 282 . 1 1 82 82 LEU C C 13 177.527 0.004 . 1 . 660 . . 62 LEU C . 17503 1 283 . 1 1 82 82 LEU CA C 13 56.366 0.008 . 1 . 537 . . 62 LEU CA . 17503 1 284 . 1 1 82 82 LEU CB C 13 41.327 0.006 . 1 . 659 . . 62 LEU CB . 17503 1 285 . 1 1 82 82 LEU N N 15 116.103 0.03 . 1 . 290 . . 62 LEU N . 17503 1 286 . 1 1 83 83 MET H H 1 7.561 0.007 . 1 . 319 . . 63 MET H . 17503 1 287 . 1 1 83 83 MET C C 13 174.198 0.018 . 1 . 663 . . 63 MET C . 17503 1 288 . 1 1 83 83 MET CA C 13 53.634 0.012 . 1 . 538 . . 63 MET CA . 17503 1 289 . 1 1 83 83 MET CB C 13 31.833 0.006 . 1 . 662 . . 63 MET CB . 17503 1 290 . 1 1 83 83 MET N N 15 113.991 0.016 . 1 . 320 . . 63 MET N . 17503 1 291 . 1 1 84 84 ASN H H 1 7.399 0.009 . 1 . 169 . . 64 ASN H . 17503 1 292 . 1 1 84 84 ASN C C 13 175.245 0.015 . 1 . 665 . . 64 ASN C . 17503 1 293 . 1 1 84 84 ASN CA C 13 51.353 0.003 . 1 . 539 . . 64 ASN CA . 17503 1 294 . 1 1 84 84 ASN CB C 13 38.829 0.004 . 1 . 664 . . 64 ASN CB . 17503 1 295 . 1 1 84 84 ASN N N 15 120.144 0.015 . 1 . 170 . . 64 ASN N . 17503 1 296 . 1 1 85 85 ILE H H 1 8.036 0.005 . 1 . 91 . . 65 ILE H . 17503 1 297 . 1 1 85 85 ILE C C 13 176.835 0.032 . 1 . 667 . . 65 ILE C . 17503 1 298 . 1 1 85 85 ILE CA C 13 62.574 0.002 . 1 . 540 . . 65 ILE CA . 17503 1 299 . 1 1 85 85 ILE CB C 13 36.433 0.025 . 1 . 666 . . 65 ILE CB . 17503 1 300 . 1 1 85 85 ILE N N 15 122.177 0.045 . 1 . 92 . . 65 ILE N . 17503 1 301 . 1 1 86 86 ARG C C 13 175.151 0.016 . 1 . 669 . . 66 ARG C . 17503 1 302 . 1 1 86 86 ARG CA C 13 54.939 0.02 . 1 . 541 . . 66 ARG CA . 17503 1 303 . 1 1 86 86 ARG CB C 13 27.667 0.058 . 1 . 668 . . 66 ARG CB . 17503 1 304 . 1 1 86 86 ARG N N 15 119.311 0.027 . 1 . 206 . . 66 ARG N . 17503 1 305 . 1 1 87 87 LEU H H 1 7.628 0.004 . 1 . 49 . . 67 LEU H . 17503 1 306 . 1 1 87 87 LEU C C 13 175.692 0.01 . 1 . 671 . . 67 LEU C . 17503 1 307 . 1 1 87 87 LEU CA C 13 56.063 0.008 . 1 . 542 . . 67 LEU CA . 17503 1 308 . 1 1 87 87 LEU CB C 13 41.913 0.058 . 1 . 670 . . 67 LEU CB . 17503 1 309 . 1 1 87 87 LEU N N 15 123.997 0.02 . 1 . 50 . . 67 LEU N . 17503 1 310 . 1 1 88 88 SER H H 1 9.069 0.007 . 1 . 51 . . 68 SER H . 17503 1 311 . 1 1 88 88 SER C C 13 175.189 0.013 . 1 . 673 . . 68 SER C . 17503 1 312 . 1 1 88 88 SER CA C 13 55.787 0.015 . 1 . 543 . . 68 SER CA . 17503 1 313 . 1 1 88 88 SER CB C 13 66.374 0.078 . 1 . 672 . . 68 SER CB . 17503 1 314 . 1 1 88 88 SER N N 15 123.884 0.038 . 1 . 52 . . 68 SER N . 17503 1 315 . 1 1 91 91 GLU H H 1 7.734 0.006 . 1 . 139 . . 71 GLU H . 17503 1 316 . 1 1 91 91 GLU C C 13 179.293 0.024 . 1 . 945 . . 71 GLU C . 17503 1 317 . 1 1 91 91 GLU CA C 13 58.702 0.027 . 1 . 1046 . . 71 GLU CA . 17503 1 318 . 1 1 91 91 GLU CB C 13 28.998 0.054 . 1 . 946 . . 71 GLU CB . 17503 1 319 . 1 1 91 91 GLU N N 15 120.675 0.032 . 1 . 140 . . 71 GLU N . 17503 1 320 . 1 1 92 92 ILE H H 1 8.015 0.008 . 1 . 203 . . 72 ILE H . 17503 1 321 . 1 1 92 92 ILE C C 13 177.125 0.027 . 1 . 947 . . 72 ILE C . 17503 1 322 . 1 1 92 92 ILE CA C 13 65.847 0.006 . 1 . 949 . . 72 ILE CA . 17503 1 323 . 1 1 92 92 ILE CB C 13 36.701 0.002 . 1 . 948 . . 72 ILE CB . 17503 1 324 . 1 1 92 92 ILE N N 15 119.285 0.013 . 1 . 204 . . 72 ILE N . 17503 1 325 . 1 1 93 93 GLU H H 1 8.018 0.005 . 1 . 233 . . 73 GLU H . 17503 1 326 . 1 1 93 93 GLU C C 13 178.761 0.062 . 1 . 989 . . 73 GLU C . 17503 1 327 . 1 1 93 93 GLU CA C 13 58.932 0.04 . 1 . 988 . . 73 GLU CA . 17503 1 328 . 1 1 93 93 GLU N N 15 118.229 0.143 . 1 . 234 . . 73 GLU N . 17503 1 329 . 1 1 94 94 ALA H H 1 7.624 0.008 . 1 . 147 . . 74 ALA H . 17503 1 330 . 1 1 94 94 ALA C C 13 181.284 0.026 . 1 . 682 . . 74 ALA C . 17503 1 331 . 1 1 94 94 ALA CA C 13 54.697 0.015 . 1 . 548 . . 74 ALA CA . 17503 1 332 . 1 1 94 94 ALA CB C 13 17.331 0.031 . 1 . 681 . . 74 ALA CB . 17503 1 333 . 1 1 94 94 ALA N N 15 120.539 0.028 . 1 . 148 . . 74 ALA N . 17503 1 334 . 1 1 95 95 ILE H H 1 8.241 0.008 . 1 . 459 . . 75 ILE H . 17503 1 335 . 1 1 95 95 ILE C C 13 177.456 0.025 . 1 . 683 . . 75 ILE C . 17503 1 336 . 1 1 95 95 ILE CA C 13 64.542 0.034 . 1 . 549 . . 75 ILE CA . 17503 1 337 . 1 1 95 95 ILE CB C 13 36.836 0.016 . 1 . 1049 . . 75 ILE CB . 17503 1 338 . 1 1 95 95 ILE N N 15 121.534 0.032 . 1 . 460 . . 75 ILE N . 17503 1 339 . 1 1 96 96 LEU H H 1 8.745 0.006 . 1 . 215 . . 76 LEU H . 17503 1 340 . 1 1 96 96 LEU C C 13 180.629 0.039 . 1 . 685 . . 76 LEU C . 17503 1 341 . 1 1 96 96 LEU CA C 13 57.880 0.02 . 1 . 550 . . 76 LEU CA . 17503 1 342 . 1 1 96 96 LEU CB C 13 38.843 0.052 . 1 . 684 . . 76 LEU CB . 17503 1 343 . 1 1 96 96 LEU N N 15 118.894 0.027 . 1 . 216 . . 76 LEU N . 17503 1 344 . 1 1 97 97 ASN H H 1 8.218 0.008 . 1 . 231 . . 77 ASN H . 17503 1 345 . 1 1 97 97 ASN C C 13 177.781 0.038 . 1 . 687 . . 77 ASN C . 17503 1 346 . 1 1 97 97 ASN CA C 13 55.730 0.047 . 1 . 551 . . 77 ASN CA . 17503 1 347 . 1 1 97 97 ASN CB C 13 37.733 0.034 . 1 . 686 . . 77 ASN CB . 17503 1 348 . 1 1 97 97 ASN N N 15 118.398 0.021 . 1 . 232 . . 77 ASN N . 17503 1 349 . 1 1 98 98 LYS H H 1 7.936 0.005 . 1 . 87 . . 78 LYS H . 17503 1 350 . 1 1 98 98 LYS C C 13 179.564 0.009 . 1 . 689 . . 78 LYS C . 17503 1 351 . 1 1 98 98 LYS CA C 13 57.877 0.01 . 1 . 552 . . 78 LYS CA . 17503 1 352 . 1 1 98 98 LYS CB C 13 29.303 0.055 . 1 . 688 . . 78 LYS CB . 17503 1 353 . 1 1 98 98 LYS N N 15 122.309 0.04 . 1 . 88 . . 78 LYS N . 17503 1 354 . 1 1 99 99 PHE H H 1 8.799 0.006 . 1 . 277 . . 79 PHE H . 17503 1 355 . 1 1 99 99 PHE C C 13 178.230 0.022 . 1 . 691 . . 79 PHE C . 17503 1 356 . 1 1 99 99 PHE CA C 13 57.986 0.019 . 1 . 553 . . 79 PHE CA . 17503 1 357 . 1 1 99 99 PHE CB C 13 36.401 0.068 . 1 . 690 . . 79 PHE CB . 17503 1 358 . 1 1 99 99 PHE N N 15 116.561 0.021 . 1 . 278 . . 79 PHE N . 17503 1 359 . 1 1 100 100 LEU H H 1 8.034 0.008 . 1 . 187 . . 80 LEU H . 17503 1 360 . 1 1 100 100 LEU C C 13 179.830 0.027 . 1 . 693 . . 80 LEU C . 17503 1 361 . 1 1 100 100 LEU CA C 13 56.940 0.024 . 1 . 554 . . 80 LEU CA . 17503 1 362 . 1 1 100 100 LEU CB C 13 41.117 0.025 . 1 . 692 . . 80 LEU CB . 17503 1 363 . 1 1 100 100 LEU N N 15 119.606 0.025 . 1 . 188 . . 80 LEU N . 17503 1 364 . 1 1 101 101 GLU H H 1 7.740 0.005 . 1 . 471 . . 81 GLU H . 17503 1 365 . 1 1 101 101 GLU C C 13 177.562 0.038 . 1 . 695 . . 81 GLU C . 17503 1 366 . 1 1 101 101 GLU CA C 13 57.950 0.008 . 1 . 555 . . 81 GLU CA . 17503 1 367 . 1 1 101 101 GLU CB C 13 28.042 0.008 . 1 . 694 . . 81 GLU CB . 17503 1 368 . 1 1 101 101 GLU N N 15 117.464 0.034 . 1 . 472 . . 81 GLU N . 17503 1 369 . 1 1 102 102 TYR H H 1 7.816 0.009 . 1 . 475 . . 82 TYR H . 17503 1 370 . 1 1 102 102 TYR C C 13 174.571 0.012 . 1 . 934 . . 82 TYR C . 17503 1 371 . 1 1 102 102 TYR CA C 13 57.668 0.036 . 1 . 556 . . 82 TYR CA . 17503 1 372 . 1 1 102 102 TYR CB C 13 37.842 0.050 . 1 . 696 . . 82 TYR CB . 17503 1 373 . 1 1 102 102 TYR N N 15 116.003 0.096 . 1 . 476 . . 82 TYR N . 17503 1 374 . 1 1 103 103 VAL H H 1 7.193 0.023 . 1 . 464 . . 83 VAL H . 17503 1 375 . 1 1 103 103 VAL C C 13 176.636 0.019 . 1 . 932 . . 83 VAL C . 17503 1 376 . 1 1 103 103 VAL CA C 13 61.045 0.023 . 1 . 933 . . 83 VAL CA . 17503 1 377 . 1 1 103 103 VAL CB C 13 32.187 0.026 . 1 . 931 . . 83 VAL CB . 17503 1 378 . 1 1 103 103 VAL N N 15 119.887 0.242 . 1 . 463 . . 83 VAL N . 17503 1 379 . 1 1 104 104 VAL H H 1 8.423 0.019 . 1 . 7 . . 84 VAL H . 17503 1 380 . 1 1 104 104 VAL C C 13 173.668 0.019 . 1 . 935 . . 84 VAL C . 17503 1 381 . 1 1 104 104 VAL CA C 13 58.616 0.017 . 1 . 501 . . 84 VAL CA . 17503 1 382 . 1 1 104 104 VAL CB C 13 31.617 0.041 . 1 . 936 . . 84 VAL CB . 17503 1 383 . 1 1 104 104 VAL N N 15 130.128 0.31 . 1 . 8 . . 84 VAL N . 17503 1 384 . 1 1 105 105 PRO C C 13 176.141 0.032 . 1 . 963 . . 85 PRO C . 17503 1 385 . 1 1 105 105 PRO CA C 13 61.377 0.024 . 1 . 964 . . 85 PRO CA . 17503 1 386 . 1 1 105 105 PRO CB C 13 31.582 0.069 . 1 . 965 . . 85 PRO CB . 17503 1 387 . 1 1 106 106 PHE H H 1 7.874 0.007 . 1 . 107 . . 86 PHE H . 17503 1 388 . 1 1 106 106 PHE C C 13 175.098 0.025 . 1 . 858 . . 86 PHE C . 17503 1 389 . 1 1 106 106 PHE CA C 13 59.272 0.007 . 1 . 857 . . 86 PHE CA . 17503 1 390 . 1 1 106 106 PHE CB C 13 38.489 0.079 . 1 . 856 . . 86 PHE CB . 17503 1 391 . 1 1 106 106 PHE N N 15 121.581 0.043 . 1 . 108 . . 86 PHE N . 17503 1 392 . 1 1 107 107 GLU H H 1 7.842 0.006 . 1 . 9 . . 87 GLU H . 17503 1 393 . 1 1 107 107 GLU C C 13 174.973 0.019 . 1 . 819 . . 87 GLU C . 17503 1 394 . 1 1 107 107 GLU CA C 13 54.385 0.027 . 1 . 818 . . 87 GLU CA . 17503 1 395 . 1 1 107 107 GLU CB C 13 28.675 0.011 . 1 . 959 . . 87 GLU CB . 17503 1 396 . 1 1 107 107 GLU N N 15 129.160 0.015 . 1 . 10 . . 87 GLU N . 17503 1 397 . 1 1 108 108 LEU H H 1 8.858 0.006 . 1 . 1 . . 88 LEU H . 17503 1 398 . 1 1 108 108 LEU C C 13 175.038 0.017 . 1 . 962 . . 88 LEU C . 17503 1 399 . 1 1 108 108 LEU CA C 13 52.786 0.021 . 1 . 960 . . 88 LEU CA . 17503 1 400 . 1 1 108 108 LEU CB C 13 39.890 0.048 . 1 . 958 . . 88 LEU CB . 17503 1 401 . 1 1 108 108 LEU N N 15 131.153 0.032 . 1 . 2 . . 88 LEU N . 17503 1 402 . 1 1 109 109 PRO C C 13 175.251 0.032 . 1 . 806 . . 89 PRO C . 17503 1 403 . 1 1 109 109 PRO CA C 13 61.011 0.024 . 1 . 807 . . 89 PRO CA . 17503 1 404 . 1 1 109 109 PRO CB C 13 31.341 0.069 . 1 . 808 . . 89 PRO CB . 17503 1 405 . 1 1 110 110 SER H H 1 8.093 0.008 . 1 . 303 . . 90 SER H . 17503 1 406 . 1 1 110 110 SER C C 13 173.198 0.013 . 1 . 878 . . 90 SER C . 17503 1 407 . 1 1 110 110 SER CA C 13 55.814 0.015 . 1 . 879 . . 90 SER CA . 17503 1 408 . 1 1 110 110 SER CB C 13 61.973 0.078 . 1 . 826 . . 90 SER CB . 17503 1 409 . 1 1 110 110 SER N N 15 115.311 0.052 . 1 . 304 . . 90 SER N . 17503 1 410 . 1 1 113 113 LYS H H 1 7.693 0.008 . 1 . 141 . . 93 LYS H . 17503 1 411 . 1 1 113 113 LYS C C 13 179.399 0.011 . 1 . 699 . . 93 LYS C . 17503 1 412 . 1 1 113 113 LYS CA C 13 58.614 0.023 . 1 . 697 . . 93 LYS CA . 17503 1 413 . 1 1 113 113 LYS CB C 13 31.373 0.003 . 1 . 698 . . 93 LYS CB . 17503 1 414 . 1 1 113 113 LYS N N 15 120.640 0.03 . 1 . 142 . . 93 LYS N . 17503 1 415 . 1 1 114 114 LEU H H 1 8.292 0.006 . 1 . 185 . . 94 LEU H . 17503 1 416 . 1 1 114 114 LEU C C 13 178.435 0.019 . 1 . 702 . . 94 LEU C . 17503 1 417 . 1 1 114 114 LEU CA C 13 57.212 0.01 . 1 . 700 . . 94 LEU CA . 17503 1 418 . 1 1 114 114 LEU CB C 13 40.975 0.001 . 1 . 701 . . 94 LEU CB . 17503 1 419 . 1 1 114 114 LEU N N 15 119.588 0.023 . 1 . 186 . . 94 LEU N . 17503 1 420 . 1 1 115 115 GLN H H 1 8.033 0.014 . 1 . 281 . . 95 GLN H . 17503 1 421 . 1 1 115 115 GLN C C 13 177.553 0.01 . 1 . 705 . . 95 GLN C . 17503 1 422 . 1 1 115 115 GLN CA C 13 57.580 0.029 . 1 . 703 . . 95 GLN CA . 17503 1 423 . 1 1 115 115 GLN CB C 13 27.600 0.008 . 1 . 704 . . 95 GLN CB . 17503 1 424 . 1 1 115 115 GLN N N 15 116.300 0.02 . 1 . 282 . . 95 GLN N . 17503 1 425 . 1 1 116 116 LYS H H 1 7.194 0.015 . 1 . 299 . . 96 LYS H . 17503 1 426 . 1 1 116 116 LYS C C 13 178.458 0.004 . 1 . 708 . . 96 LYS C . 17503 1 427 . 1 1 116 116 LYS CA C 13 57.640 0.04 . 1 . 706 . . 96 LYS CA . 17503 1 428 . 1 1 116 116 LYS CB C 13 31.406 0.055 . 1 . 707 . . 96 LYS CB . 17503 1 429 . 1 1 116 116 LYS N N 15 115.459 0.045 . 1 . 300 . . 96 LYS N . 17503 1 430 . 1 1 117 117 VAL H H 1 7.439 0.017 . 1 . 259 . . 97 VAL H . 17503 1 431 . 1 1 117 117 VAL C C 13 176.697 0.022 . 1 . 711 . . 97 VAL C . 17503 1 432 . 1 1 117 117 VAL CA C 13 64.208 0.005 . 1 . 709 . . 97 VAL CA . 17503 1 433 . 1 1 117 117 VAL CB C 13 31.122 0.041 . 1 . 710 . . 97 VAL CB . 17503 1 434 . 1 1 117 117 VAL N N 15 117.806 0.292 . 1 . 260 . . 97 VAL N . 17503 1 435 . 1 1 118 118 PHE H H 1 7.565 0.007 . 1 . 199 . . 98 PHE H . 17503 1 436 . 1 1 118 118 PHE C C 13 176.055 0.062 . 1 . 714 . . 98 PHE C . 17503 1 437 . 1 1 118 118 PHE CA C 13 55.637 0.039 . 1 . 712 . . 98 PHE CA . 17503 1 438 . 1 1 118 118 PHE CB C 13 37.421 0.068 . 1 . 713 . . 98 PHE CB . 17503 1 439 . 1 1 118 118 PHE N N 15 119.404 0.014 . 1 . 200 . . 98 PHE N . 17503 1 440 . 1 1 119 119 LYS H H 1 7.451 0.007 . 1 . 213 . . 99 LYS H . 17503 1 441 . 1 1 119 119 LYS C C 13 175.949 0.028 . 1 . 1051 . . 99 LYS C . 17503 1 442 . 1 1 119 119 LYS CA C 13 58.646 0.026 . 1 . 557 . . 99 LYS CA . 17503 1 443 . 1 1 119 119 LYS CB C 13 31.401 0.055 . 1 . 1050 . . 99 LYS CB . 17503 1 444 . 1 1 119 119 LYS N N 15 119.039 0.039 . 1 . 214 . . 99 LYS N . 17503 1 445 . 1 1 123 123 LYS H H 1 8.586 0.008 . 1 . 1066 . . 103 LYS H . 17503 1 446 . 1 1 123 123 LYS C C 13 175.073 0.056 . 1 . 1077 . . 103 LYS C . 17503 1 447 . 1 1 123 123 LYS CA C 13 55.644 0.021 . 1 . 1076 . . 103 LYS CA . 17503 1 448 . 1 1 123 123 LYS CB C 13 30.743 0.047 . 1 . 1078 . . 103 LYS CB . 17503 1 449 . 1 1 123 123 LYS N N 15 124.736 0.029 . 1 . 1065 . . 103 LYS N . 17503 1 450 . 1 1 124 124 ILE H H 1 7.960 0.006 . 1 . 81 . . 104 ILE H . 17503 1 451 . 1 1 124 124 ILE C C 13 174.119 0.02 . 1 . 811 . . 104 ILE C . 17503 1 452 . 1 1 124 124 ILE CA C 13 59.864 0.027 . 1 . 810 . . 104 ILE CA . 17503 1 453 . 1 1 124 124 ILE CB C 13 38.280 0.041 . 1 . 1023 . . 104 ILE CB . 17503 1 454 . 1 1 124 124 ILE N N 15 122.738 0.054 . 1 . 82 . . 104 ILE N . 17503 1 455 . 1 1 125 125 LYS H H 1 8.228 0.008 . 1 . 17 . . 105 LYS H . 17503 1 456 . 1 1 125 125 LYS C C 13 174.275 0.009 . 1 . 820 . . 105 LYS C . 17503 1 457 . 1 1 125 125 LYS CA C 13 54.502 0.014 . 1 . 821 . . 105 LYS CA . 17503 1 458 . 1 1 125 125 LYS CB C 13 32.805 0.008 . 1 . 1022 . . 105 LYS CB . 17503 1 459 . 1 1 125 125 LYS N N 15 127.271 0.028 . 1 . 18 . . 105 LYS N . 17503 1 460 . 1 1 126 126 ILE H H 1 8.028 0.008 . 1 . 33 . . 106 ILE H . 17503 1 461 . 1 1 126 126 ILE C C 13 173.843 0.021 . 1 . 1021 . . 106 ILE C . 17503 1 462 . 1 1 126 126 ILE CA C 13 57.495 0.024 . 1 . 1020 . . 106 ILE CA . 17503 1 463 . 1 1 126 126 ILE CB C 13 38.263 0.040 . 1 . 1019 . . 106 ILE CB . 17503 1 464 . 1 1 126 126 ILE N N 15 125.633 0.024 . 1 . 34 . . 106 ILE N . 17503 1 465 . 1 1 132 132 TYR H H 1 7.757 0.009 . 1 . 957 . . 112 TYR H . 17503 1 466 . 1 1 132 132 TYR CA C 13 62.567 0.036 . 1 . 1036 . . 112 TYR CA . 17503 1 467 . 1 1 132 132 TYR CB C 13 41.411 0.050 . 1 . 1037 . . 112 TYR CB . 17503 1 468 . 1 1 132 132 TYR N N 15 115.948 0.022 . 1 . 956 . . 112 TYR N . 17503 1 469 . 1 1 138 138 SER C C 13 171.401 0.013 . 1 . 1043 . . 118 SER C . 17503 1 470 . 1 1 138 138 SER CA C 13 61.275 0.015 . 1 . 1042 . . 118 SER CA . 17503 1 471 . 1 1 138 138 SER CB C 13 63.087 0.078 . 1 . 1041 . . 118 SER CB . 17503 1 472 . 1 1 139 139 PHE H H 1 8.519 0.006 . 1 . 1015 . . 119 PHE H . 17503 1 473 . 1 1 139 139 PHE C C 13 171.843 0.005 . 1 . 1018 . . 119 PHE C . 17503 1 474 . 1 1 139 139 PHE CA C 13 54.927 0.001 . 1 . 1017 . . 119 PHE CA . 17503 1 475 . 1 1 139 139 PHE CB C 13 40.267 0.06 . 1 . 1016 . . 119 PHE CB . 17503 1 476 . 1 1 139 139 PHE N N 15 118.132 0.029 . 1 . 1014 . . 119 PHE N . 17503 1 477 . 1 1 140 140 VAL H H 1 8.546 0.023 . 1 . 201 . . 120 VAL H . 17503 1 478 . 1 1 140 140 VAL C C 13 174.294 0.019 . 1 . 1038 . . 120 VAL C . 17503 1 479 . 1 1 140 140 VAL CA C 13 60.836 0.017 . 1 . 1039 . . 120 VAL CA . 17503 1 480 . 1 1 140 140 VAL CB C 13 32.933 0.041 . 1 . 1040 . . 120 VAL CB . 17503 1 481 . 1 1 140 140 VAL N N 15 119.446 0.271 . 1 . 202 . . 120 VAL N . 17503 1 482 . 1 1 148 148 ASN H H 1 8.003 0.008 . 1 . 253 . . 128 ASN H . 17503 1 483 . 1 1 148 148 ASN C C 13 173.473 0.041 . 1 . 824 . . 128 ASN C . 17503 1 484 . 1 1 148 148 ASN CA C 13 54.569 0.081 . 1 . 825 . . 128 ASN CA . 17503 1 485 . 1 1 148 148 ASN CB C 13 36.755 0.073 . 1 . 1001 . . 128 ASN CB . 17503 1 486 . 1 1 148 148 ASN N N 15 117.843 0.025 . 1 . 254 . . 128 ASN N . 17503 1 487 . 1 1 149 149 ARG H H 1 7.602 0.006 . 1 . 297 . . 129 ARG H . 17503 1 488 . 1 1 149 149 ARG C C 13 175.745 0.031 . 1 . 950 . . 129 ARG C . 17503 1 489 . 1 1 149 149 ARG CA C 13 54.884 0.03 . 1 . 952 . . 129 ARG CA . 17503 1 490 . 1 1 149 149 ARG CB C 13 34.359 0.037 . 1 . 951 . . 129 ARG CB . 17503 1 491 . 1 1 149 149 ARG N N 15 115.857 0.016 . 1 . 298 . . 129 ARG N . 17503 1 492 . 1 1 150 150 LYS H H 1 8.503 0.005 . 1 . 1003 . . 130 LYS H . 17503 1 493 . 1 1 150 150 LYS C C 13 174.745 0.014 . 1 . 1079 . . 130 LYS C . 17503 1 494 . 1 1 150 150 LYS CA C 13 54.770 0.007 . 1 . 1080 . . 130 LYS CA . 17503 1 495 . 1 1 150 150 LYS CB C 13 33.744 0.055 . 1 . 1081 . . 130 LYS CB . 17503 1 496 . 1 1 150 150 LYS N N 15 121.818 0.051 . 1 . 1002 . . 130 LYS N . 17503 1 497 . 1 1 151 151 TYR H H 1 8.603 0.005 . 1 . 25 . . 131 TYR H . 17503 1 498 . 1 1 151 151 TYR C C 13 174.738 0.017 . 1 . 1031 . . 131 TYR C . 17503 1 499 . 1 1 151 151 TYR CA C 13 56.730 0.018 . 1 . 1030 . . 131 TYR CA . 17503 1 500 . 1 1 151 151 TYR CB C 13 38.612 0.117 . 1 . 1032 . . 131 TYR CB . 17503 1 501 . 1 1 151 151 TYR N N 15 125.905 0.029 . 1 . 26 . . 131 TYR N . 17503 1 502 . 1 1 152 152 ILE H H 1 9.161 0.006 . 1 . 487 . . 132 ILE H . 17503 1 503 . 1 1 152 152 ILE C C 13 175.650 0.021 . 1 . 1033 . . 132 ILE C . 17503 1 504 . 1 1 152 152 ILE CA C 13 60.216 0.024 . 1 . 1035 . . 132 ILE CA . 17503 1 505 . 1 1 152 152 ILE CB C 13 41.708 0.040 . 1 . 1034 . . 132 ILE CB . 17503 1 506 . 1 1 152 152 ILE N N 15 119.172 0.068 . 1 . 488 . . 132 ILE N . 17503 1 507 . 1 1 154 154 TYR H H 1 8.803 0.005 . 1 . 271 . . 134 TYR H . 17503 1 508 . 1 1 154 154 TYR C C 13 170.440 0.037 . 1 . 1026 . . 134 TYR C . 17503 1 509 . 1 1 154 154 TYR CA C 13 56.120 0.032 . 1 . 1027 . . 134 TYR CA . 17503 1 510 . 1 1 154 154 TYR CB C 13 38.928 0.006 . 1 . 1028 . . 134 TYR CB . 17503 1 511 . 1 1 154 154 TYR N N 15 116.987 0.027 . 1 . 272 . . 134 TYR N . 17503 1 512 . 1 1 155 155 TYR H H 1 9.366 0.006 . 1 . 275 . . 135 TYR H . 17503 1 513 . 1 1 155 155 TYR C C 13 176.831 0.019 . 1 . 875 . . 135 TYR C . 17503 1 514 . 1 1 155 155 TYR CA C 13 56.285 0.016 . 1 . 874 . . 135 TYR CA . 17503 1 515 . 1 1 155 155 TYR CB C 13 39.848 0.043 . 1 . 876 . . 135 TYR CB . 17503 1 516 . 1 1 155 155 TYR N N 15 116.873 0.023 . 1 . 276 . . 135 TYR N . 17503 1 517 . 1 1 156 156 ASP H H 1 8.749 0.006 . 1 . 63 . . 136 ASP H . 17503 1 518 . 1 1 156 156 ASP C C 13 177.966 0.018 . 1 . 916 . . 136 ASP C . 17503 1 519 . 1 1 156 156 ASP CA C 13 52.137 0.073 . 1 . 917 . . 136 ASP CA . 17503 1 520 . 1 1 156 156 ASP CB C 13 40.496 0.034 . 1 . 915 . . 136 ASP CB . 17503 1 521 . 1 1 156 156 ASP N N 15 123.287 0.018 . 1 . 64 . . 136 ASP N . 17503 1 522 . 1 1 157 157 GLU H H 1 9.182 0.011 . 1 . 247 . . 137 GLU H . 17503 1 523 . 1 1 157 157 GLU C C 13 177.474 0.062 . 1 . 966 . . 137 GLU C . 17503 1 524 . 1 1 157 157 GLU CA C 13 58.624 0.011 . 1 . 913 . . 137 GLU CA . 17503 1 525 . 1 1 157 157 GLU CB C 13 27.665 0.051 . 1 . 914 . . 137 GLU CB . 17503 1 526 . 1 1 157 157 GLU N N 15 117.961 0.025 . 1 . 248 . . 137 GLU N . 17503 1 527 . 1 1 158 158 LYS H H 1 8.049 0.007 . 1 . 177 . . 138 LYS H . 17503 1 528 . 1 1 158 158 LYS C C 13 175.695 0.021 . 1 . 717 . . 138 LYS C . 17503 1 529 . 1 1 158 158 LYS CA C 13 54.935 0.01 . 1 . 715 . . 138 LYS CA . 17503 1 530 . 1 1 158 158 LYS CB C 13 30.590 0.105 . 1 . 716 . . 138 LYS CB . 17503 1 531 . 1 1 158 158 LYS N N 15 119.814 0.043 . 1 . 178 . . 138 LYS N . 17503 1 532 . 1 1 159 159 LYS H H 1 8.485 0.005 . 1 . 301 . . 139 LYS H . 17503 1 533 . 1 1 159 159 LYS C C 13 175.209 0.017 . 1 . 720 . . 139 LYS C . 17503 1 534 . 1 1 159 159 LYS CA C 13 57.253 0.019 . 1 . 718 . . 139 LYS CA . 17503 1 535 . 1 1 159 159 LYS CB C 13 28.098 0.111 . 1 . 719 . . 139 LYS CB . 17503 1 536 . 1 1 159 159 LYS N N 15 115.343 0.022 . 1 . 302 . . 139 LYS N . 17503 1 537 . 1 1 160 160 GLN H H 1 8.662 0.01 . 1 . 209 . . 140 GLN H . 17503 1 538 . 1 1 160 160 GLN C C 13 175.798 0.008 . 1 . 723 . . 140 GLN C . 17503 1 539 . 1 1 160 160 GLN CA C 13 54.064 0.019 . 1 . 721 . . 140 GLN CA . 17503 1 540 . 1 1 160 160 GLN CB C 13 28.271 0.046 . 1 . 722 . . 140 GLN CB . 17503 1 541 . 1 1 160 160 GLN N N 15 119.033 0.016 . 1 . 210 . . 140 GLN N . 17503 1 542 . 1 1 161 161 LEU H H 1 8.350 0.007 . 1 . 35 . . 141 LEU H . 17503 1 543 . 1 1 161 161 LEU C C 13 175.033 0.017 . 1 . 726 . . 141 LEU C . 17503 1 544 . 1 1 161 161 LEU CA C 13 54.842 0.01 . 1 . 724 . . 141 LEU CA . 17503 1 545 . 1 1 161 161 LEU CB C 13 40.445 0.015 . 1 . 725 . . 141 LEU CB . 17503 1 546 . 1 1 161 161 LEU N N 15 125.555 0.027 . 1 . 36 . . 141 LEU N . 17503 1 547 . 1 1 162 162 LYS H H 1 8.956 0.008 . 1 . 15 . . 142 LYS H . 17503 1 548 . 1 1 162 162 LYS C C 13 174.176 0.022 . 1 . 729 . . 142 LYS C . 17503 1 549 . 1 1 162 162 LYS CA C 13 52.881 0.021 . 1 . 727 . . 142 LYS CA . 17503 1 550 . 1 1 162 162 LYS CB C 13 35.123 0.026 . 1 . 728 . . 142 LYS CB . 17503 1 551 . 1 1 162 162 LYS N N 15 127.879 0.099 . 1 . 16 . . 142 LYS N . 17503 1 552 . 1 1 163 163 GLY H H 1 7.869 0.001 . 1 . 447 . . 143 GLY H . 17503 1 553 . 1 1 163 163 GLY C C 13 172.108 0.019 . 1 . 731 . . 143 GLY C . 17503 1 554 . 1 1 163 163 GLY CA C 13 45.508 0.029 . 1 . 730 . . 143 GLY CA . 17503 1 555 . 1 1 163 163 GLY N N 15 102.687 0.062 . 1 . 448 . . 143 GLY N . 17503 1 556 . 1 1 164 164 LEU H H 1 9.829 0.005 . 1 . 159 . . 144 LEU H . 17503 1 557 . 1 1 164 164 LEU C C 13 173.552 0.037 . 1 . 734 . . 144 LEU C . 17503 1 558 . 1 1 164 164 LEU CA C 13 54.848 0.008 . 1 . 732 . . 144 LEU CA . 17503 1 559 . 1 1 164 164 LEU CB C 13 43.344 0.127 . 1 . 733 . . 144 LEU CB . 17503 1 560 . 1 1 164 164 LEU N N 15 120.289 0.025 . 1 . 160 . . 144 LEU N . 17503 1 561 . 1 1 165 165 TYR H H 1 8.292 0.007 . 1 . 313 . . 145 TYR H . 17503 1 562 . 1 1 165 165 TYR C C 13 173.723 0.015 . 1 . 737 . . 145 TYR C . 17503 1 563 . 1 1 165 165 TYR CA C 13 55.181 0.034 . 1 . 735 . . 145 TYR CA . 17503 1 564 . 1 1 165 165 TYR CB C 13 41.137 0.021 . 1 . 736 . . 145 TYR CB . 17503 1 565 . 1 1 165 165 TYR N N 15 114.523 0.019 . 1 . 314 . . 145 TYR N . 17503 1 566 . 1 1 166 166 GLY H H 1 8.332 0.003 . 1 . 443 . . 146 GLY H . 17503 1 567 . 1 1 166 166 GLY C C 13 171.272 0.029 . 1 . 740 . . 146 GLY C . 17503 1 568 . 1 1 166 166 GLY CA C 13 44.179 0.078 . 1 . 739 . . 146 GLY CA . 17503 1 569 . 1 1 166 166 GLY N N 15 106.139 0.032 . 1 . 444 . . 146 GLY N . 17503 1 570 . 1 1 167 167 GLU H H 1 8.013 0.008 . 1 . 145 . . 147 GLU H . 17503 1 571 . 1 1 167 167 GLU C C 13 175.688 0.023 . 1 . 743 . . 147 GLU C . 17503 1 572 . 1 1 167 167 GLU CA C 13 54.757 0.026 . 1 . 741 . . 147 GLU CA . 17503 1 573 . 1 1 167 167 GLU CB C 13 30.652 0.086 . 1 . 742 . . 147 GLU CB . 17503 1 574 . 1 1 167 167 GLU N N 15 120.629 0.026 . 1 . 146 . . 147 GLU N . 17503 1 575 . 1 1 168 168 ILE H H 1 8.618 0.005 . 1 . 115 . . 148 ILE H . 17503 1 576 . 1 1 168 168 ILE C C 13 175.693 0.01 . 1 . 746 . . 148 ILE C . 17503 1 577 . 1 1 168 168 ILE CA C 13 56.196 0.026 . 1 . 744 . . 148 ILE CA . 17503 1 578 . 1 1 168 168 ILE CB C 13 41.586 0.063 . 1 . 745 . . 148 ILE CB . 17503 1 579 . 1 1 168 168 ILE N N 15 121.249 0.02 . 1 . 116 . . 148 ILE N . 17503 1 580 . 1 1 169 169 SER H H 1 8.391 0.005 . 1 . 143 . . 149 SER H . 17503 1 581 . 1 1 169 169 SER C C 13 174.190 0.013 . 1 . 749 . . 149 SER C . 17503 1 582 . 1 1 169 169 SER CA C 13 57.672 0.015 . 1 . 747 . . 149 SER CA . 17503 1 583 . 1 1 169 169 SER CB C 13 63.239 0.078 . 1 . 748 . . 149 SER CB . 17503 1 584 . 1 1 169 169 SER N N 15 120.627 0.016 . 1 . 144 . . 149 SER N . 17503 1 585 . 1 1 171 171 GLN H H 1 8.205 0.007 . 1 . 468 . . 151 GLN H . 17503 1 586 . 1 1 171 171 GLN C C 13 175.940 0.019 . 1 . 752 . . 151 GLN C . 17503 1 587 . 1 1 171 171 GLN CA C 13 55.660 0.073 . 1 . 750 . . 151 GLN CA . 17503 1 588 . 1 1 171 171 GLN CB C 13 28.463 0.045 . 1 . 751 . . 151 GLN CB . 17503 1 589 . 1 1 171 171 GLN N N 15 118.604 0.037 . 1 . 467 . . 151 GLN N . 17503 1 590 . 1 1 172 172 VAL H H 1 8.727 0.014 . 1 . 13 . . 152 VAL H . 17503 1 591 . 1 1 172 172 VAL C C 13 174.907 0.003 . 1 . 755 . . 152 VAL C . 17503 1 592 . 1 1 172 172 VAL CA C 13 60.673 0.029 . 1 . 753 . . 152 VAL CA . 17503 1 593 . 1 1 172 172 VAL CB C 13 32.380 0.04 . 1 . 754 . . 152 VAL CB . 17503 1 594 . 1 1 172 172 VAL N N 15 128.414 0.242 . 1 . 14 . . 152 VAL N . 17503 1 595 . 1 1 173 173 VAL H H 1 9.150 0.025 . 1 . 65 . . 153 VAL H . 17503 1 596 . 1 1 173 173 VAL C C 13 174.011 0.018 . 1 . 758 . . 153 VAL C . 17503 1 597 . 1 1 173 173 VAL CA C 13 58.365 0.007 . 1 . 756 . . 153 VAL CA . 17503 1 598 . 1 1 173 173 VAL CB C 13 34.609 0.014 . 1 . 757 . . 153 VAL CB . 17503 1 599 . 1 1 173 173 VAL N N 15 123.289 0.253 . 1 . 66 . . 153 VAL N . 17503 1 600 . 1 1 174 174 LYS H H 1 8.216 0.005 . 1 . 89 . . 154 LYS H . 17503 1 601 . 1 1 174 174 LYS C C 13 176.947 0.022 . 1 . 761 . . 154 LYS C . 17503 1 602 . 1 1 174 174 LYS CA C 13 54.535 0.028 . 1 . 759 . . 154 LYS CA . 17503 1 603 . 1 1 174 174 LYS CB C 13 30.219 0.055 . 1 . 760 . . 154 LYS CB . 17503 1 604 . 1 1 174 174 LYS N N 15 122.299 0.021 . 1 . 90 . . 154 LYS N . 17503 1 605 . 1 1 175 175 GLY H H 1 8.540 0.002 . 1 . 315 . . 155 GLY H . 17503 1 606 . 1 1 175 175 GLY C C 13 170.578 0.008 . 1 . 762 . . 155 GLY C . 17503 1 607 . 1 1 175 175 GLY CA C 13 44.386 0.019 . 1 . 497 . . 155 GLY CA . 17503 1 608 . 1 1 175 175 GLY N N 15 114.348 0.056 . 1 . 316 . . 155 GLY N . 17503 1 609 . 1 1 176 176 PHE H H 1 8.469 0.008 . 1 . 161 . . 156 PHE H . 17503 1 610 . 1 1 176 176 PHE C C 13 175.073 0.029 . 1 . 764 . . 156 PHE C . 17503 1 611 . 1 1 176 176 PHE CA C 13 57.919 0.007 . 1 . 498 . . 156 PHE CA . 17503 1 612 . 1 1 176 176 PHE CB C 13 39.096 0.106 . 1 . 763 . . 156 PHE CB . 17503 1 613 . 1 1 176 176 PHE N N 15 120.189 0.01 . 1 . 162 . . 156 PHE N . 17503 1 614 . 1 1 177 177 CYS H H 1 7.856 0.007 . 1 . 19 . . 157 CYS H . 17503 1 615 . 1 1 177 177 CYS C C 13 177.857 0.035 . 1 . 766 . . 157 CYS C . 17503 1 616 . 1 1 177 177 CYS CA C 13 58.076 0.057 . 1 . 499 . . 157 CYS CA . 17503 1 617 . 1 1 177 177 CYS CB C 13 32.124 0.031 . 1 . 765 . . 157 CYS CB . 17503 1 618 . 1 1 177 177 CYS N N 15 126.631 0.034 . 1 . 20 . . 157 CYS N . 17503 1 619 . 1 1 178 178 THR H H 1 8.802 0.007 . 1 . 71 . . 158 THR H . 17503 1 620 . 1 1 178 178 THR C C 13 173.642 0.01 . 1 . 767 . . 158 THR C . 17503 1 621 . 1 1 178 178 THR CA C 13 64.626 0.042 . 1 . 500 . . 158 THR CA . 17503 1 622 . 1 1 178 178 THR CB C 13 68.657 0.063 . 1 . 768 . . 158 THR CB . 17503 1 623 . 1 1 178 178 THR N N 15 123.060 0.023 . 1 . 72 . . 158 THR N . 17503 1 624 . 1 1 179 179 ILE H H 1 9.712 0.012 . 1 . 491 . . 159 ILE H . 17503 1 625 . 1 1 179 179 ILE N N 15 124.688 0.102 . 1 . 492 . . 159 ILE N . 17503 1 626 . 1 1 181 181 ASN H H 1 7.802 0.006 . 1 . 251 . . 161 ASN H . 17503 1 627 . 1 1 181 181 ASN C C 13 173.469 0.025 . 1 . 836 . . 161 ASN C . 17503 1 628 . 1 1 181 181 ASN CA C 13 53.841 0.009 . 1 . 834 . . 161 ASN CA . 17503 1 629 . 1 1 181 181 ASN CB C 13 36.666 0.035 . 1 . 835 . . 161 ASN CB . 17503 1 630 . 1 1 181 181 ASN N N 15 117.941 0.033 . 1 . 252 . . 161 ASN N . 17503 1 631 . 1 1 182 182 LYS H H 1 7.514 0.006 . 1 . 287 . . 162 LYS H . 17503 1 632 . 1 1 182 182 LYS C C 13 175.965 0.045 . 1 . 831 . . 162 LYS C . 17503 1 633 . 1 1 182 182 LYS CA C 13 52.961 0.004 . 1 . 832 . . 162 LYS CA . 17503 1 634 . 1 1 182 182 LYS CB C 13 33.795 0.023 . 1 . 833 . . 162 LYS CB . 17503 1 635 . 1 1 182 182 LYS N N 15 116.154 0.017 . 1 . 288 . . 162 LYS N . 17503 1 636 . 1 1 183 183 GLU H H 1 8.264 0.005 . 1 . 109 . . 163 GLU H . 17503 1 637 . 1 1 183 183 GLU C C 13 176.704 0.062 . 1 . 773 . . 163 GLU C . 17503 1 638 . 1 1 183 183 GLU CA C 13 56.158 0.027 . 1 . 770 . . 163 GLU CA . 17503 1 639 . 1 1 183 183 GLU CB C 13 28.279 0.078 . 1 . 912 . . 163 GLU CB . 17503 1 640 . 1 1 183 183 GLU N N 15 121.528 0.083 . 1 . 110 . . 163 GLU N . 17503 1 641 . 1 1 184 184 SER H H 1 9.091 0.006 . 1 . 67 . . 164 SER H . 17503 1 642 . 1 1 184 184 SER C C 13 172.687 0.027 . 1 . 772 . . 164 SER C . 17503 1 643 . 1 1 184 184 SER CA C 13 54.684 0.002 . 1 . 769 . . 164 SER CA . 17503 1 644 . 1 1 184 184 SER CB C 13 63.557 0.035 . 1 . 771 . . 164 SER CB . 17503 1 645 . 1 1 184 184 SER N N 15 123.071 0.033 . 1 . 68 . . 164 SER N . 17503 1 646 . 1 1 185 185 ASN H H 1 8.013 0.005 . 1 . 171 . . 165 ASN H . 17503 1 647 . 1 1 185 185 ASN C C 13 174.975 0.023 . 1 . 776 . . 165 ASN C . 17503 1 648 . 1 1 185 185 ASN CA C 13 52.068 0.014 . 1 . 774 . . 165 ASN CA . 17503 1 649 . 1 1 185 185 ASN CB C 13 37.385 0.053 . 1 . 775 . . 165 ASN CB . 17503 1 650 . 1 1 185 185 ASN N N 15 120.039 0.027 . 1 . 172 . . 165 ASN N . 17503 1 651 . 1 1 186 186 VAL H H 1 9.566 0.023 . 1 . 163 . . 166 VAL H . 17503 1 652 . 1 1 186 186 VAL C C 13 174.160 0.032 . 1 . 779 . . 166 VAL C . 17503 1 653 . 1 1 186 186 VAL CA C 13 58.700 0.027 . 1 . 777 . . 166 VAL CA . 17503 1 654 . 1 1 186 186 VAL CB C 13 35.540 0.05 . 1 . 778 . . 166 VAL CB . 17503 1 655 . 1 1 186 186 VAL N N 15 120.228 0.193 . 1 . 164 . . 166 VAL N . 17503 1 656 . 1 1 187 187 SER H H 1 8.903 0.009 . 1 . 339 . . 167 SER H . 17503 1 657 . 1 1 187 187 SER C C 13 172.774 0.004 . 1 . 782 . . 167 SER C . 17503 1 658 . 1 1 187 187 SER CA C 13 57.028 0.029 . 1 . 780 . . 167 SER CA . 17503 1 659 . 1 1 187 187 SER CB C 13 68.121 0.114 . 1 . 781 . . 167 SER CB . 17503 1 660 . 1 1 187 187 SER N N 15 113.407 0.047 . 1 . 340 . . 167 SER N . 17503 1 661 . 1 1 188 188 LEU H H 1 8.828 0.008 . 1 . 27 . . 168 LEU H . 17503 1 662 . 1 1 188 188 LEU C C 13 174.771 0.021 . 1 . 785 . . 168 LEU C . 17503 1 663 . 1 1 188 188 LEU CA C 13 55.641 0.031 . 1 . 783 . . 168 LEU CA . 17503 1 664 . 1 1 188 188 LEU CB C 13 41.453 0.153 . 1 . 784 . . 168 LEU CB . 17503 1 665 . 1 1 188 188 LEU N N 15 125.615 0.127 . 1 . 28 . . 168 LEU N . 17503 1 666 . 1 1 189 189 PHE H H 1 8.850 0.006 . 1 . 11 . . 169 PHE H . 17503 1 667 . 1 1 189 189 PHE C C 13 174.359 0.002 . 1 . 787 . . 169 PHE C . 17503 1 668 . 1 1 189 189 PHE CA C 13 55.710 0.005 . 1 . 786 . . 169 PHE CA . 17503 1 669 . 1 1 189 189 PHE CB C 13 41.663 0.068 . 1 . 1067 . . 169 PHE CB . 17503 1 670 . 1 1 189 189 PHE N N 15 128.374 0.033 . 1 . 12 . . 169 PHE N . 17503 1 671 . 1 1 190 190 MET H H 1 8.464 0.005 . 1 . 21 . . 170 MET H . 17503 1 672 . 1 1 190 190 MET C C 13 174.100 0.011 . 1 . 790 . . 170 MET C . 17503 1 673 . 1 1 190 190 MET CA C 13 53.077 0.005 . 1 . 788 . . 170 MET CA . 17503 1 674 . 1 1 190 190 MET CB C 13 34.091 0.024 . 1 . 789 . . 170 MET CB . 17503 1 675 . 1 1 190 190 MET N N 15 126.329 0.031 . 1 . 22 . . 170 MET N . 17503 1 676 . 1 1 191 191 LYS H H 1 8.871 0.006 . 1 . 31 . . 171 LYS H . 17503 1 677 . 1 1 191 191 LYS C C 13 175.574 0.02 . 1 . 792 . . 171 LYS C . 17503 1 678 . 1 1 191 191 LYS CA C 13 56.013 0.034 . 1 . 791 . . 171 LYS CA . 17503 1 679 . 1 1 191 191 LYS CB C 13 33.003 0.027 . 1 . 852 . . 171 LYS CB . 17503 1 680 . 1 1 191 191 LYS N N 15 125.631 0.038 . 1 . 32 . . 171 LYS N . 17503 1 681 . 1 1 192 192 LYS H H 1 8.545 0.009 . 1 . 1013 . . 172 LYS H . 17503 1 682 . 1 1 192 192 LYS CA C 13 55.675 0.026 . 1 . 1068 . . 172 LYS CA . 17503 1 683 . 1 1 192 192 LYS CB C 13 30.453 0.055 . 1 . 1069 . . 172 LYS CB . 17503 1 684 . 1 1 192 192 LYS N N 15 124.728 0.025 . 1 . 1012 . . 172 LYS N . 17503 1 685 . 1 1 200 200 GLN C C 13 175.487 0.025 . 1 . 973 . . 180 GLN C . 17503 1 686 . 1 1 200 200 GLN CA C 13 55.196 0.036 . 1 . 972 . . 180 GLN CA . 17503 1 687 . 1 1 200 200 GLN CB C 13 28.628 0.041 . 1 . 971 . . 180 GLN CB . 17503 1 688 . 1 1 201 201 TYR H H 1 8.206 0.012 . 1 . 151 . . 181 TYR H . 17503 1 689 . 1 1 201 201 TYR C C 13 175.539 0.020 . 1 . 968 . . 181 TYR C . 17503 1 690 . 1 1 201 201 TYR CA C 13 57.190 0.034 . 1 . 939 . . 181 TYR CA . 17503 1 691 . 1 1 201 201 TYR CB C 13 38.216 0.035 . 1 . 969 . . 181 TYR CB . 17503 1 692 . 1 1 201 201 TYR N N 15 120.359 0.012 . 1 . 152 . . 181 TYR N . 17503 1 693 . 1 1 202 202 VAL H H 1 8.263 0.014 . 1 . 125 . . 182 VAL H . 17503 1 694 . 1 1 202 202 VAL C C 13 175.307 0.019 . 1 . 977 . . 182 VAL C . 17503 1 695 . 1 1 202 202 VAL CA C 13 61.407 0.006 . 1 . 938 . . 182 VAL CA . 17503 1 696 . 1 1 202 202 VAL CB C 13 32.096 0.103 . 1 . 970 . . 182 VAL CB . 17503 1 697 . 1 1 202 202 VAL N N 15 121.263 0.187 . 1 . 126 . . 182 VAL N . 17503 1 698 . 1 1 203 203 LYS H H 1 8.241 0.007 . 1 . 47 . . 183 LYS H . 17503 1 699 . 1 1 203 203 LYS C C 13 175.850 0.02 . 1 . 976 . . 183 LYS C . 17503 1 700 . 1 1 203 203 LYS CA C 13 55.455 0.084 . 1 . 974 . . 183 LYS CA . 17503 1 701 . 1 1 203 203 LYS CB C 13 32.266 0.031 . 1 . 975 . . 183 LYS CB . 17503 1 702 . 1 1 203 203 LYS N N 15 124.124 0.099 . 1 . 48 . . 183 LYS N . 17503 1 703 . 1 1 204 204 LYS H H 1 8.281 0.008 . 1 . 83 . . 184 LYS H . 17503 1 704 . 1 1 204 204 LYS C C 13 175.528 0.135 . 1 . 797 . . 184 LYS C . 17503 1 705 . 1 1 204 204 LYS CA C 13 55.347 0.022 . 1 . 794 . . 184 LYS CA . 17503 1 706 . 1 1 204 204 LYS CB C 13 33.186 0.193 . 1 . 795 . . 184 LYS CB . 17503 1 707 . 1 1 204 204 LYS N N 15 122.467 0.043 . 1 . 84 . . 184 LYS N . 17503 1 708 . 1 1 205 205 GLY H H 1 8.164 0.02 . 1 . 439 . . 185 GLY H . 17503 1 709 . 1 1 205 205 GLY C C 13 172.108 0.004 . 1 . 796 . . 185 GLY C . 17503 1 710 . 1 1 205 205 GLY CA C 13 44.698 0.044 . 1 . 793 . . 185 GLY CA . 17503 1 711 . 1 1 205 205 GLY N N 15 107.877 0.023 . 1 . 440 . . 185 GLY N . 17503 1 712 . 1 1 206 206 ASP H H 1 8.393 0.005 . 1 . 273 . . 186 ASP H . 17503 1 713 . 1 1 206 206 ASP C C 13 175.466 0.007 . 1 . 800 . . 186 ASP C . 17503 1 714 . 1 1 206 206 ASP CA C 13 52.718 0.014 . 1 . 798 . . 186 ASP CA . 17503 1 715 . 1 1 206 206 ASP CB C 13 45.159 0.007 . 1 . 799 . . 186 ASP CB . 17503 1 716 . 1 1 206 206 ASP N N 15 116.986 0.029 . 1 . 274 . . 186 ASP N . 17503 1 717 . 1 1 207 207 TYR H H 1 9.572 0.006 . 1 . 113 . . 187 TYR H . 17503 1 718 . 1 1 207 207 TYR C C 13 176.363 0.008 . 1 . 803 . . 187 TYR C . 17503 1 719 . 1 1 207 207 TYR CA C 13 59.530 0.02 . 1 . 801 . . 187 TYR CA . 17503 1 720 . 1 1 207 207 TYR CB C 13 37.964 0.022 . 1 . 802 . . 187 TYR CB . 17503 1 721 . 1 1 207 207 TYR N N 15 121.375 0.025 . 1 . 114 . . 187 TYR N . 17503 1 722 . 1 1 208 208 ILE H H 1 8.599 0.007 . 1 . 291 . . 188 ILE H . 17503 1 723 . 1 1 208 208 ILE C C 13 175.692 0.021 . 1 . 848 . . 188 ILE C . 17503 1 724 . 1 1 208 208 ILE CA C 13 58.249 0.024 . 1 . 805 . . 188 ILE CA . 17503 1 725 . 1 1 208 208 ILE N N 15 116.010 0.018 . 1 . 292 . . 188 ILE N . 17503 1 726 . 1 1 209 209 CYS H H 1 9.818 0.006 . 1 . 45 . . 189 CYS H . 17503 1 727 . 1 1 209 209 CYS C C 13 177.519 0.033 . 1 . 849 . . 189 CYS C . 17503 1 728 . 1 1 209 209 CYS CA C 13 63.086 0.050 . 1 . 850 . . 189 CYS CA . 17503 1 729 . 1 1 209 209 CYS CB C 13 30.486 0.077 . 1 . 851 . . 189 CYS CB . 17503 1 730 . 1 1 209 209 CYS N N 15 124.732 0.027 . 1 . 46 . . 189 CYS N . 17503 1 731 . 1 1 210 210 ARG H H 1 8.094 0.005 . 1 . 57 . . 190 ARG H . 17503 1 732 . 1 1 210 210 ARG C C 13 177.625 0.016 . 1 . 1082 . . 190 ARG C . 17503 1 733 . 1 1 210 210 ARG CA C 13 59.281 0.005 . 1 . 1044 . . 190 ARG CA . 17503 1 734 . 1 1 210 210 ARG CB C 13 28.961 0.089 . 1 . 1045 . . 190 ARG CB . 17503 1 735 . 1 1 210 210 ARG N N 15 123.586 0.032 . 1 . 58 . . 190 ARG N . 17503 1 736 . 1 1 211 211 ASP H H 1 8.902 0.006 . 1 . 175 . . 191 ASP H . 17503 1 737 . 1 1 211 211 ASP C C 13 176.493 0.014 . 1 . 838 . . 191 ASP C . 17503 1 738 . 1 1 211 211 ASP CA C 13 51.834 0.036 . 1 . 837 . . 191 ASP CA . 17503 1 739 . 1 1 211 211 ASP CB C 13 39.663 0.104 . 1 . 937 . . 191 ASP CB . 17503 1 740 . 1 1 211 211 ASP N N 15 119.919 0.019 . 1 . 176 . . 191 ASP N . 17503 1 741 . 1 1 212 212 SER H H 1 9.385 0.009 . 1 . 165 . . 192 SER H . 17503 1 742 . 1 1 212 212 SER C C 13 176.043 0.013 . 1 . 967 . . 192 SER C . 17503 1 743 . 1 1 212 212 SER CA C 13 61.274 0.008 . 1 . 866 . . 192 SER CA . 17503 1 744 . 1 1 212 212 SER CB C 13 63.232 0.095 . 1 . 865 . . 192 SER CB . 17503 1 745 . 1 1 212 212 SER N N 15 120.193 0.083 . 1 . 166 . . 192 SER N . 17503 1 746 . 1 1 213 213 ILE H H 1 8.434 0.004 . 1 . 23 . . 193 ILE H . 17503 1 747 . 1 1 213 213 ILE C C 13 177.213 0.012 . 1 . 859 . . 193 ILE C . 17503 1 748 . 1 1 213 213 ILE CA C 13 64.876 0.016 . 1 . 860 . . 193 ILE CA . 17503 1 749 . 1 1 213 213 ILE CB C 13 35.361 0.004 . 1 . 861 . . 193 ILE CB . 17503 1 750 . 1 1 213 213 ILE N N 15 126.092 0.025 . 1 . 24 . . 193 ILE N . 17503 1 751 . 1 1 214 214 HIS H H 1 6.991 0.007 . 1 . 149 . . 194 HIS H . 17503 1 752 . 1 1 214 214 HIS C C 13 176.907 0.008 . 1 . 862 . . 194 HIS C . 17503 1 753 . 1 1 214 214 HIS CA C 13 59.517 0.033 . 1 . 863 . . 194 HIS CA . 17503 1 754 . 1 1 214 214 HIS CB C 13 29.952 0.144 . 1 . 864 . . 194 HIS CB . 17503 1 755 . 1 1 214 214 HIS N N 15 120.481 0.027 . 1 . 150 . . 194 HIS N . 17503 1 756 . 1 1 215 215 CYS H H 1 7.554 0.007 . 1 . 121 . . 195 CYS H . 17503 1 757 . 1 1 215 215 CYS C C 13 177.749 0.031 . 1 . 1055 . . 195 CYS C . 17503 1 758 . 1 1 215 215 CYS CA C 13 64.150 0.042 . 1 . 1061 . . 195 CYS CA . 17503 1 759 . 1 1 215 215 CYS CB C 13 31.843 0.054 . 1 . 1053 . . 195 CYS CB . 17503 1 760 . 1 1 215 215 CYS N N 15 121.204 0.058 . 1 . 122 . . 195 CYS N . 17503 1 761 . 1 1 216 216 ASN H H 1 7.581 0.002 . 1 . 1059 . . 196 ASN H . 17503 1 762 . 1 1 216 216 ASN C C 13 178.710 0.023 . 1 . 1062 . . 196 ASN C . 17503 1 763 . 1 1 216 216 ASN N N 15 114.185 0.026 . 1 . 1060 . . 196 ASN N . 17503 1 764 . 1 1 218 218 GLN H H 1 7.482 0.007 . 1 . 321 . . 198 GLN H . 17503 1 765 . 1 1 218 218 GLN C C 13 175.141 0.007 . 1 . 1056 . . 198 GLN C . 17503 1 766 . 1 1 218 218 GLN CA C 13 53.843 0.053 . 1 . 1058 . . 198 GLN CA . 17503 1 767 . 1 1 218 218 GLN CB C 13 28.179 0.024 . 1 . 1057 . . 198 GLN CB . 17503 1 768 . 1 1 218 218 GLN N N 15 113.770 0.024 . 1 . 322 . . 198 GLN N . 17503 1 769 . 1 1 219 219 LEU H H 1 7.617 0.004 . 1 . 453 . . 199 LEU H . 17503 1 770 . 1 1 219 219 LEU C C 13 176.221 0.008 . 1 . 911 . . 199 LEU C . 17503 1 771 . 1 1 219 219 LEU CA C 13 55.085 0.095 . 1 . 910 . . 199 LEU CA . 17503 1 772 . 1 1 219 219 LEU N N 15 124.178 0.03 . 1 . 454 . . 199 LEU N . 17503 1 773 . 1 1 220 220 THR H H 1 8.731 0.006 . 1 . 317 . . 200 THR H . 17503 1 774 . 1 1 220 220 THR C C 13 173.734 0.015 . 1 . 847 . . 200 THR C . 17503 1 775 . 1 1 220 220 THR CA C 13 61.096 0.024 . 1 . 868 . . 200 THR CA . 17503 1 776 . 1 1 220 220 THR CB C 13 68.954 0.11 . 1 . 867 . . 200 THR CB . 17503 1 777 . 1 1 220 220 THR N N 15 114.010 0.025 . 1 . 318 . . 200 THR N . 17503 1 778 . 1 1 221 221 ASP H H 1 7.097 0.007 . 1 . 223 . . 201 ASP H . 17503 1 779 . 1 1 221 221 ASP C C 13 176.778 0.015 . 1 . 846 . . 201 ASP C . 17503 1 780 . 1 1 221 221 ASP CA C 13 52.966 0.035 . 1 . 869 . . 201 ASP CA . 17503 1 781 . 1 1 221 221 ASP CB C 13 41.653 0.03 . 1 . 845 . . 201 ASP CB . 17503 1 782 . 1 1 221 221 ASP N N 15 118.668 0.035 . 1 . 224 . . 201 ASP N . 17503 1 783 . 1 1 222 222 ILE H H 1 6.683 0.003 . 1 . 37 . . 202 ILE H . 17503 1 784 . 1 1 222 222 ILE C C 13 175.741 0.01 . 1 . 843 . . 202 ILE C . 17503 1 785 . 1 1 222 222 ILE CA C 13 61.564 0.002 . 1 . 844 . . 202 ILE CA . 17503 1 786 . 1 1 222 222 ILE N N 15 125.580 0.031 . 1 . 38 . . 202 ILE N . 17503 1 787 . 1 1 223 223 ASN H H 1 8.309 0.007 . 1 . 167 . . 203 ASN H . 17503 1 788 . 1 1 223 223 ASN C C 13 177.718 0.003 . 1 . 827 . . 203 ASN C . 17503 1 789 . 1 1 223 223 ASN CB C 13 36.968 0.013 . 1 . 877 . . 203 ASN CB . 17503 1 790 . 1 1 223 223 ASN N N 15 120.124 0.026 . 1 . 168 . . 203 ASN N . 17503 1 791 . 1 1 224 224 GLN H H 1 7.650 0.007 . 1 . 255 . . 204 GLN H . 17503 1 792 . 1 1 224 224 GLN C C 13 179.190 0.046 . 1 . 887 . . 204 GLN C . 17503 1 793 . 1 1 224 224 GLN CA C 13 58.176 0.036 . 1 . 829 . . 204 GLN CA . 17503 1 794 . 1 1 224 224 GLN N N 15 117.795 0.028 . 1 . 256 . . 204 GLN N . 17503 1 795 . 1 1 225 225 PHE H H 1 7.039 0.007 . 1 . 882 . . 205 PHE H . 17503 1 796 . 1 1 225 225 PHE C C 13 176.228 0.022 . 1 . 888 . . 205 PHE C . 17503 1 797 . 1 1 225 225 PHE CA C 13 60.701 0.046 . 1 . 889 . . 205 PHE CA . 17503 1 798 . 1 1 225 225 PHE CB C 13 37.484 0.068 . 1 . 890 . . 205 PHE CB . 17503 1 799 . 1 1 225 225 PHE N N 15 118.870 0.032 . 1 . 881 . . 205 PHE N . 17503 1 800 . 1 1 226 226 TYR H H 1 7.705 0.005 . 1 . 884 . . 206 TYR H . 17503 1 801 . 1 1 226 226 TYR C C 13 178.170 0.024 . 1 . 891 . . 206 TYR C . 17503 1 802 . 1 1 226 226 TYR CA C 13 58.648 0.079 . 1 . 892 . . 206 TYR CA . 17503 1 803 . 1 1 226 226 TYR CB C 13 34.906 0.050 . 1 . 893 . . 206 TYR CB . 17503 1 804 . 1 1 226 226 TYR N N 15 117.907 0.029 . 1 . 883 . . 206 TYR N . 17503 1 805 . 1 1 227 227 ASN H H 1 8.389 0.008 . 1 . 895 . . 207 ASN H . 17503 1 806 . 1 1 227 227 ASN C C 13 176.753 0.017 . 1 . 896 . . 207 ASN C . 17503 1 807 . 1 1 227 227 ASN CA C 13 55.605 0.006 . 1 . 897 . . 207 ASN CA . 17503 1 808 . 1 1 227 227 ASN CB C 13 37.632 0.029 . 1 . 898 . . 207 ASN CB . 17503 1 809 . 1 1 227 227 ASN N N 15 117.042 0.025 . 1 . 894 . . 207 ASN N . 17503 1 810 . 1 1 228 228 PHE H H 1 7.119 0.002 . 1 . 155 . . 208 PHE H . 17503 1 811 . 1 1 228 228 PHE C C 13 176.052 0.027 . 1 . 817 . . 208 PHE C . 17503 1 812 . 1 1 228 228 PHE CA C 13 59.702 0.01 . 1 . 816 . . 208 PHE CA . 17503 1 813 . 1 1 228 228 PHE N N 15 120.391 0.026 . 1 . 156 . . 208 PHE N . 17503 1 814 . 1 1 229 229 ILE H H 1 7.259 0.008 . 1 . 261 . . 209 ILE H . 17503 1 815 . 1 1 229 229 ILE C C 13 179.211 0.007 . 1 . 814 . . 209 ILE C . 17503 1 816 . 1 1 229 229 ILE CA C 13 60.827 0.047 . 1 . 815 . . 209 ILE CA . 17503 1 817 . 1 1 229 229 ILE CB C 13 34.447 0.040 . 1 . 899 . . 209 ILE CB . 17503 1 818 . 1 1 229 229 ILE N N 15 117.654 0.038 . 1 . 262 . . 209 ILE N . 17503 1 819 . 1 1 230 230 ASP H H 1 7.932 0.006 . 1 . 219 . . 210 ASP H . 17503 1 820 . 1 1 230 230 ASP C C 13 177.718 0.017 . 1 . 900 . . 210 ASP C . 17503 1 821 . 1 1 230 230 ASP CA C 13 56.068 0.016 . 1 . 901 . . 210 ASP CA . 17503 1 822 . 1 1 230 230 ASP CB C 13 40.398 0.095 . 1 . 902 . . 210 ASP CB . 17503 1 823 . 1 1 230 230 ASP N N 15 118.848 0.037 . 1 . 220 . . 210 ASP N . 17503 1 824 . 1 1 231 231 LYS H H 1 7.295 0.008 . 1 . 886 . . 211 LYS H . 17503 1 825 . 1 1 231 231 LYS C C 13 177.245 0.012 . 1 . 903 . . 211 LYS C . 17503 1 826 . 1 1 231 231 LYS CA C 13 56.443 0.005 . 1 . 904 . . 211 LYS CA . 17503 1 827 . 1 1 231 231 LYS CB C 13 31.111 0.052 . 1 . 905 . . 211 LYS CB . 17503 1 828 . 1 1 231 231 LYS N N 15 117.283 0.028 . 1 . 885 . . 211 LYS N . 17503 1 829 . 1 1 232 232 LEU H H 1 7.313 0.006 . 1 . 179 . . 212 LEU H . 17503 1 830 . 1 1 232 232 LEU C C 13 176.319 0.006 . 1 . 823 . . 212 LEU C . 17503 1 831 . 1 1 232 232 LEU CA C 13 54.862 0.007 . 1 . 822 . . 212 LEU CA . 17503 1 832 . 1 1 232 232 LEU CB C 13 41.160 0.011 . 1 . 906 . . 212 LEU CB . 17503 1 833 . 1 1 232 232 LEU N N 15 119.737 0.03 . 1 . 180 . . 212 LEU N . 17503 1 834 . 1 1 233 233 ASP H H 1 7.458 0.007 . 1 . 59 . . 213 ASP H . 17503 1 835 . 1 1 233 233 ASP C C 13 180.868 0.056 . 1 . 907 . . 213 ASP C . 17503 1 836 . 1 1 233 233 ASP CA C 13 55.717 0.032 . 1 . 908 . . 213 ASP CA . 17503 1 837 . 1 1 233 233 ASP CB C 13 41.638 0.104 . 1 . 909 . . 213 ASP CB . 17503 1 838 . 1 1 233 233 ASP N N 15 123.582 0.024 . 1 . 60 . . 213 ASP N . 17503 1 stop_ save_