################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51689 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Caprin_13C15N1H _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51689 1 2 '3D HNN' . . . 51689 1 3 '3D HNCO' . . . 51689 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51689 1 2 $software_2 . . 51689 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ARG C C 13 176.590 0 . 1 . . . . . 608 ARG CO . 51689 1 2 . 1 . 1 3 3 GLY H H 1 8.499 0 . 1 . . . . . 609 GLY H . 51689 1 3 . 1 . 1 3 3 GLY C C 13 173.867 0 . 1 . . . . . 609 GLY CO . 51689 1 4 . 1 . 1 3 3 GLY N N 15 110.712 0 . 1 . . . . . 609 GLY N . 51689 1 5 . 1 . 1 4 4 VAL H H 1 8.110 0 . 1 . . . . . 610 VAL H . 51689 1 6 . 1 . 1 4 4 VAL C C 13 176.341 0 . 1 . . . . . 610 VAL CO . 51689 1 7 . 1 . 1 4 4 VAL N N 15 119.409 0 . 1 . . . . . 610 VAL N . 51689 1 8 . 1 . 1 5 5 SER H H 1 8.496 0 . 1 . . . . . 611 SER H . 51689 1 9 . 1 . 1 5 5 SER C C 13 174.641 0 . 1 . . . . . 611 SER CO . 51689 1 10 . 1 . 1 5 5 SER N N 15 120.209 0 . 1 . . . . . 611 SER N . 51689 1 11 . 1 . 1 6 6 ARG H H 1 8.548 0 . 1 . . . . . 612 ARG H . 51689 1 12 . 1 . 1 6 6 ARG C C 13 176.815 0 . 1 . . . . . 612 ARG CO . 51689 1 13 . 1 . 1 6 6 ARG N N 15 123.823 0 . 1 . . . . . 612 ARG N . 51689 1 14 . 1 . 1 7 7 GLY H H 1 8.463 0 . 1 . . . . . 613 GLY H . 51689 1 15 . 1 . 1 7 7 GLY C C 13 174.650 0 . 1 . . . . . 613 GLY CO . 51689 1 16 . 1 . 1 7 7 GLY N N 15 109.973 0 . 1 . . . . . 613 GLY N . 51689 1 17 . 1 . 1 8 8 GLY H H 1 8.305 0 . 1 . . . . . 614 GLY H . 51689 1 18 . 1 . 1 8 8 GLY C C 13 174.369 0 . 1 . . . . . 614 GLY CO . 51689 1 19 . 1 . 1 8 8 GLY N N 15 108.767 0 . 1 . . . . . 614 GLY N . 51689 1 20 . 1 . 1 9 9 SER H H 1 8.326 0 . 1 . . . . . 615 SER H . 51689 1 21 . 1 . 1 9 9 SER C C 13 174.922 0 . 1 . . . . . 615 SER CO . 51689 1 22 . 1 . 1 9 9 SER N N 15 115.716 0 . 1 . . . . . 615 SER N . 51689 1 23 . 1 . 1 10 10 ARG H H 1 8.513 0 . 1 . . . . . 616 ARG H . 51689 1 24 . 1 . 1 10 10 ARG C C 13 176.899 0 . 1 . . . . . 616 ARG CO . 51689 1 25 . 1 . 1 10 10 ARG N N 15 122.995 0 . 1 . . . . . 616 ARG N . 51689 1 26 . 1 . 1 11 11 GLY H H 1 8.361 0 . 1 . . . . . 617 GLY H . 51689 1 27 . 1 . 1 11 11 GLY C C 13 173.891 0 . 1 . . . . . 617 GLY CO . 51689 1 28 . 1 . 1 11 11 GLY N N 15 109.678 0 . 1 . . . . . 617 GLY N . 51689 1 29 . 1 . 1 12 12 ALA H H 1 8.189 0 . 1 . . . . . 618 ALA H . 51689 1 30 . 1 . 1 12 12 ALA C C 13 177.987 0 . 1 . . . . . 618 ALA CO . 51689 1 31 . 1 . 1 12 12 ALA N N 15 123.944 0 . 1 . . . . . 618 ALA N . 51689 1 32 . 1 . 1 13 13 ARG H H 1 8.370 0 . 1 . . . . . 619 ARG H . 51689 1 33 . 1 . 1 13 13 ARG C C 13 176.901 0 . 1 . . . . . 619 ARG CO . 51689 1 34 . 1 . 1 13 13 ARG N N 15 120.076 0 . 1 . . . . . 619 ARG N . 51689 1 35 . 1 . 1 14 14 GLY H H 1 8.332 0 . 1 . . . . . 620 GLY H . 51689 1 36 . 1 . 1 14 14 GLY C C 13 173.962 0 . 1 . . . . . 620 GLY CO . 51689 1 37 . 1 . 1 14 14 GLY N N 15 109.467 0 . 1 . . . . . 620 GLY N . 51689 1 38 . 1 . 1 15 15 LEU H H 1 8.100 0 . 1 . . . . . 621 LEU H . 51689 1 39 . 1 . 1 15 15 LEU C C 13 177.611 0 . 1 . . . . . 621 LEU CO . 51689 1 40 . 1 . 1 15 15 LEU N N 15 121.525 0 . 1 . . . . . 621 LEU N . 51689 1 41 . 1 . 1 16 16 MET H H 1 8.464 0 . 1 . . . . . 622 MET H . 51689 1 42 . 1 . 1 16 16 MET C C 13 176.430 0 . 1 . . . . . 622 MET CO . 51689 1 43 . 1 . 1 16 16 MET N N 15 121.146 0 . 1 . . . . . 622 MET N . 51689 1 44 . 1 . 1 17 17 THR H H 1 8.096 0 . 1 . . . . . 623 THR H . 51689 1 45 . 1 . 1 17 17 THR C C 13 175.023 0 . 1 . . . . . 623 THR CO . 51689 1 46 . 1 . 1 17 17 THR N N 15 114.955 0 . 1 . . . . . 623 THR N . 51689 1 47 . 1 . 1 18 18 GLY H H 1 8.423 0 . 1 . . . . . 624 GLY H . 51689 1 48 . 1 . 1 18 18 GLY C C 13 173.688 0 . 1 . . . . . 624 GLY CO . 51689 1 49 . 1 . 1 18 18 GLY N N 15 111.067 0 . 1 . . . . . 624 GLY N . 51689 1 50 . 1 . 1 19 19 TYR H H 1 8.117 0 . 1 . . . . . 625 TYR H . 51689 1 51 . 1 . 1 19 19 TYR C C 13 175.754 0 . 1 . . . . . 625 TYR CO . 51689 1 52 . 1 . 1 19 19 TYR N N 15 120.912 0 . 1 . . . . . 625 TYR N . 51689 1 53 . 1 . 1 20 20 ARG H H 1 8.228 0 . 1 . . . . . 626 ARG H . 51689 1 54 . 1 . 1 20 20 ARG C C 13 175.566 0 . 1 . . . . . 626 ARG CO . 51689 1 55 . 1 . 1 20 20 ARG N N 15 125.541 0 . 1 . . . . . 626 ARG N . 51689 1 56 . 1 . 1 21 21 GLY H H 1 7.293 0 . 1 . . . . . 627 GLY H . 51689 1 57 . 1 . 1 21 21 GLY N N 15 109.137 0 . 1 . . . . . 627 GLY N . 51689 1 58 . 1 . 1 22 22 PRO C C 13 177.175 0 . 1 . . . . . 628 PRO CO . 51689 1 59 . 1 . 1 23 23 ALA H H 1 8.543 0 . 1 . . . . . 629 ALA H . 51689 1 60 . 1 . 1 23 23 ALA C C 13 178.043 0 . 1 . . . . . 629 ALA CO . 51689 1 61 . 1 . 1 23 23 ALA N N 15 124.472 0 . 1 . . . . . 629 ALA N . 51689 1 62 . 1 . 1 24 24 THR H H 1 8.012 0 . 1 . . . . . 630 THR H . 51689 1 63 . 1 . 1 24 24 THR C C 13 175.129 0 . 1 . . . . . 630 THR CO . 51689 1 64 . 1 . 1 24 24 THR N N 15 112.094 0 . 1 . . . . . 630 THR N . 51689 1 65 . 1 . 1 25 25 GLY H H 1 8.289 0 . 1 . . . . . 631 GLY H . 51689 1 66 . 1 . 1 25 25 GLY C C 13 173.778 0 . 1 . . . . . 631 GLY CO . 51689 1 67 . 1 . 1 25 25 GLY N N 15 110.446 0 . 1 . . . . . 631 GLY N . 51689 1 68 . 1 . 1 26 26 PHE H H 1 8.131 0 . 1 . . . . . 632 PHE H . 51689 1 69 . 1 . 1 26 26 PHE C C 13 175.938 0 . 1 . . . . . 632 PHE CO . 51689 1 70 . 1 . 1 26 26 PHE N N 15 120.416 0 . 1 . . . . . 632 PHE N . 51689 1 71 . 1 . 1 27 27 ARG H H 1 8.369 0 . 1 . . . . . 633 ARG H . 51689 1 72 . 1 . 1 27 27 ARG C C 13 176.248 0 . 1 . . . . . 633 ARG CO . 51689 1 73 . 1 . 1 27 27 ARG N N 15 123.997 0 . 1 . . . . . 633 ARG N . 51689 1 74 . 1 . 1 28 28 GLY H H 1 7.804 0 . 1 . . . . . 634 GLY H . 51689 1 75 . 1 . 1 28 28 GLY C C 13 174.296 0 . 1 . . . . . 634 GLY CO . 51689 1 76 . 1 . 1 28 28 GLY N N 15 109.171 0 . 1 . . . . . 634 GLY N . 51689 1 77 . 1 . 1 29 29 GLY H H 1 8.182 0 . 1 . . . . . 635 GLY H . 51689 1 78 . 1 . 1 29 29 GLY C C 13 173.889 0 . 1 . . . . . 635 GLY CO . 51689 1 79 . 1 . 1 29 29 GLY N N 15 108.448 0 . 1 . . . . . 635 GLY N . 51689 1 80 . 1 . 1 30 30 TYR H H 1 8.094 0 . 1 . . . . . 636 TYR H . 51689 1 81 . 1 . 1 30 30 TYR C C 13 175.623 0 . 1 . . . . . 636 TYR CO . 51689 1 82 . 1 . 1 30 30 TYR N N 15 119.968 0 . 1 . . . . . 636 TYR N . 51689 1 83 . 1 . 1 31 31 ASP H H 1 8.344 0 . 1 . . . . . 637 ASP H . 51689 1 84 . 1 . 1 31 31 ASP C C 13 176.385 0 . 1 . . . . . 637 ASP CO . 51689 1 85 . 1 . 1 31 31 ASP N N 15 122.582 0 . 1 . . . . . 637 ASP N . 51689 1 86 . 1 . 1 32 32 GLY H H 1 7.746 0 . 1 . . . . . 638 GLY H . 51689 1 87 . 1 . 1 32 32 GLY C C 13 173.671 0 . 1 . . . . . 638 GLY CO . 51689 1 88 . 1 . 1 32 32 GLY N N 15 108.487 0 . 1 . . . . . 638 GLY N . 51689 1 89 . 1 . 1 33 33 TYR H H 1 8.035 0 . 1 . . . . . 639 TYR H . 51689 1 90 . 1 . 1 33 33 TYR C C 13 175.319 0 . 1 . . . . . 639 TYR CO . 51689 1 91 . 1 . 1 33 33 TYR N N 15 120.532 0 . 1 . . . . . 639 TYR N . 51689 1 92 . 1 . 1 34 34 ARG H H 1 7.981 0 . 1 . . . . . 640 ARG H . 51689 1 93 . 1 . 1 34 34 ARG N N 15 125.470 0 . 1 . . . . . 640 ARG N . 51689 1 94 . 1 . 1 35 35 PRO C C 13 176.663 0 . 1 . . . . . 641 PRO CO . 51689 1 95 . 1 . 1 36 36 SER H H 1 8.259 0 . 1 . . . . . 642 SER H . 51689 1 96 . 1 . 1 36 36 SER C C 13 174.246 0 . 1 . . . . . 642 SER CO . 51689 1 97 . 1 . 1 36 36 SER N N 15 115.510 0 . 1 . . . . . 642 SER N . 51689 1 98 . 1 . 1 37 37 PHE H H 1 8.200 0 . 1 . . . . . 643 PHE H . 51689 1 99 . 1 . 1 37 37 PHE C C 13 175.649 0 . 1 . . . . . 643 PHE CO . 51689 1 100 . 1 . 1 37 37 PHE N N 15 121.737 0 . 1 . . . . . 643 PHE N . 51689 1 101 . 1 . 1 38 38 SER H H 1 8.191 0 . 1 . . . . . 644 SER H . 51689 1 102 . 1 . 1 38 38 SER C C 13 173.996 0 . 1 . . . . . 644 SER CO . 51689 1 103 . 1 . 1 38 38 SER N N 15 116.693 0 . 1 . . . . . 644 SER N . 51689 1 104 . 1 . 1 39 39 ASN H H 1 8.417 0 . 1 . . . . . 645 ASN H . 51689 1 105 . 1 . 1 39 39 ASN C C 13 174.931 0 . 1 . . . . . 645 ASN CO . 51689 1 106 . 1 . 1 39 39 ASN N N 15 120.931 0 . 1 . . . . . 645 ASN N . 51689 1 107 . 1 . 1 40 40 THR H H 1 8.103 0 . 1 . . . . . 646 THR H . 51689 1 108 . 1 . 1 40 40 THR N N 15 116.236 0 . 1 . . . . . 646 THR N . 51689 1 109 . 1 . 1 41 41 PRO C C 13 176.800 0 . 1 . . . . . 647 PRO CO . 51689 1 110 . 1 . 1 42 42 ASN H H 1 8.540 0 . 1 . . . . . 648 ASN H . 51689 1 111 . 1 . 1 42 42 ASN C C 13 175.381 0 . 1 . . . . . 648 ASN CO . 51689 1 112 . 1 . 1 42 42 ASN N N 15 118.597 0 . 1 . . . . . 648 ASN N . 51689 1 113 . 1 . 1 43 43 SER H H 1 8.256 0 . 1 . . . . . 649 SER H . 51689 1 114 . 1 . 1 43 43 SER C C 13 174.992 0 . 1 . . . . . 649 SER CO . 51689 1 115 . 1 . 1 43 43 SER N N 15 115.892 0 . 1 . . . . . 649 SER N . 51689 1 116 . 1 . 1 44 44 GLY H H 1 8.407 0 . 1 . . . . . 650 GLY H . 51689 1 117 . 1 . 1 44 44 GLY C C 13 173.936 0 . 1 . . . . . 650 GLY CO . 51689 1 118 . 1 . 1 44 44 GLY N N 15 110.316 0 . 1 . . . . . 650 GLY N . 51689 1 119 . 1 . 1 45 45 TYR H H 1 8.044 0 . 1 . . . . . 651 TYR H . 51689 1 120 . 1 . 1 45 45 TYR C C 13 176.149 0 . 1 . . . . . 651 TYR CO . 51689 1 121 . 1 . 1 45 45 TYR N N 15 120.227 0 . 1 . . . . . 651 TYR N . 51689 1 122 . 1 . 1 46 46 THR H H 1 8.079 0 . 1 . . . . . 652 THR H . 51689 1 123 . 1 . 1 46 46 THR C C 13 174.272 0 . 1 . . . . . 652 THR CO . 51689 1 124 . 1 . 1 46 46 THR N N 15 116.401 0 . 1 . . . . . 652 THR N . 51689 1 125 . 1 . 1 47 47 GLN H H 1 8.346 0 . 1 . . . . . 653 GLN H . 51689 1 126 . 1 . 1 47 47 GLN C C 13 176.117 0 . 1 . . . . . 653 GLN CO . 51689 1 127 . 1 . 1 47 47 GLN N N 15 122.659 0 . 1 . . . . . 653 GLN N . 51689 1 128 . 1 . 1 48 48 SER H H 1 8.335 0 . 1 . . . . . 654 SER H . 51689 1 129 . 1 . 1 48 48 SER C C 13 174.644 0 . 1 . . . . . 654 SER CO . 51689 1 130 . 1 . 1 48 48 SER N N 15 116.931 0 . 1 . . . . . 654 SER N . 51689 1 131 . 1 . 1 49 49 GLN H H 1 8.351 0 . 1 . . . . . 655 GLN H . 51689 1 132 . 1 . 1 49 49 GLN C C 13 175.656 0 . 1 . . . . . 655 GLN CO . 51689 1 133 . 1 . 1 49 49 GLN N N 15 121.880 0 . 1 . . . . . 655 GLN N . 51689 1 134 . 1 . 1 50 50 PHE H H 1 8.172 0 . 1 . . . . . 656 PHE H . 51689 1 135 . 1 . 1 50 50 PHE C C 13 175.588 0 . 1 . . . . . 656 PHE CO . 51689 1 136 . 1 . 1 50 50 PHE N N 15 120.553 0 . 1 . . . . . 656 PHE N . 51689 1 137 . 1 . 1 51 51 SER H H 1 8.069 0 . 1 . . . . . 657 SER H . 51689 1 138 . 1 . 1 51 51 SER C C 13 173.328 0 . 1 . . . . . 657 SER CO . 51689 1 139 . 1 . 1 51 51 SER N N 15 117.473 0 . 1 . . . . . 657 SER N . 51689 1 140 . 1 . 1 52 52 ALA H H 1 8.207 0 . 1 . . . . . 658 ALA H . 51689 1 141 . 1 . 1 52 52 ALA N N 15 127.139 0 . 1 . . . . . 658 ALA N . 51689 1 142 . 1 . 1 53 53 PRO C C 13 176.945 0 . 1 . . . . . 659 PRO CO . 51689 1 143 . 1 . 1 54 54 ARG H H 1 8.360 0 . 1 . . . . . 660 ARG H . 51689 1 144 . 1 . 1 54 54 ARG C C 13 175.684 0 . 1 . . . . . 660 ARG CO . 51689 1 145 . 1 . 1 54 54 ARG N N 15 120.899 0 . 1 . . . . . 660 ARG N . 51689 1 146 . 1 . 1 55 55 ASP H H 1 8.237 0 . 1 . . . . . 661 ASP H . 51689 1 147 . 1 . 1 55 55 ASP C C 13 176.028 0 . 1 . . . . . 661 ASP CO . 51689 1 148 . 1 . 1 55 55 ASP N N 15 120.611 0 . 1 . . . . . 661 ASP N . 51689 1 149 . 1 . 1 56 56 TYR H H 1 8.251 0 . 1 . . . . . 662 TYR H . 51689 1 150 . 1 . 1 56 56 TYR C C 13 176.216 0 . 1 . . . . . 662 TYR CO . 51689 1 151 . 1 . 1 56 56 TYR N N 15 121.636 0 . 1 . . . . . 662 TYR N . 51689 1 152 . 1 . 1 57 57 SER H H 1 8.363 0 . 1 . . . . . 663 SER H . 51689 1 153 . 1 . 1 57 57 SER C C 13 175.094 0 . 1 . . . . . 663 SER CO . 51689 1 154 . 1 . 1 57 57 SER N N 15 117.778 0 . 1 . . . . . 663 SER N . 51689 1 155 . 1 . 1 58 58 GLY H H 1 7.991 0 . 1 . . . . . 664 GLY H . 51689 1 156 . 1 . 1 58 58 GLY C C 13 173.948 0 . 1 . . . . . 664 GLY CO . 51689 1 157 . 1 . 1 58 58 GLY N N 15 110.121 0 . 1 . . . . . 664 GLY N . 51689 1 158 . 1 . 1 59 59 TYR H H 1 7.931 0 . 1 . . . . . 665 TYR H . 51689 1 159 . 1 . 1 59 59 TYR C C 13 175.839 0 . 1 . . . . . 665 TYR CO . 51689 1 160 . 1 . 1 59 59 TYR N N 15 119.987 0 . 1 . . . . . 665 TYR N . 51689 1 161 . 1 . 1 60 60 GLN H H 1 8.230 0 . 1 . . . . . 666 GLN H . 51689 1 162 . 1 . 1 60 60 GLN C C 13 175.746 0 . 1 . . . . . 666 GLN CO . 51689 1 163 . 1 . 1 60 60 GLN N N 15 122.124 0 . 1 . . . . . 666 GLN N . 51689 1 164 . 1 . 1 61 61 ARG H H 1 8.252 0 . 1 . . . . . 667 ARG H . 51689 1 165 . 1 . 1 61 61 ARG C C 13 176.137 0 . 1 . . . . . 667 ARG CO . 51689 1 166 . 1 . 1 61 61 ARG N N 15 122.208 0 . 1 . . . . . 667 ARG N . 51689 1 167 . 1 . 1 62 62 ASP H H 1 8.345 0 . 1 . . . . . 668 ASP H . 51689 1 168 . 1 . 1 62 62 ASP C C 13 176.730 0 . 1 . . . . . 668 ASP CO . 51689 1 169 . 1 . 1 62 62 ASP N N 15 120.598 0 . 1 . . . . . 668 ASP N . 51689 1 170 . 1 . 1 63 63 GLY H H 1 8.288 0 . 1 . . . . . 669 GLY H . 51689 1 171 . 1 . 1 63 63 GLY C C 13 174.299 0 . 1 . . . . . 669 GLY CO . 51689 1 172 . 1 . 1 63 63 GLY N N 15 108.927 0 . 1 . . . . . 669 GLY N . 51689 1 173 . 1 . 1 64 64 TYR H H 1 8.074 0 . 1 . . . . . 670 TYR H . 51689 1 174 . 1 . 1 64 64 TYR C C 13 176.067 0 . 1 . . . . . 670 TYR CO . 51689 1 175 . 1 . 1 64 64 TYR N N 15 120.208 0 . 1 . . . . . 670 TYR N . 51689 1 176 . 1 . 1 65 65 GLN H H 1 8.267 0 . 1 . . . . . 671 GLN H . 51689 1 177 . 1 . 1 65 65 GLN C C 13 175.886 0 . 1 . . . . . 671 GLN CO . 51689 1 178 . 1 . 1 65 65 GLN N N 15 121.609 0 . 1 . . . . . 671 GLN N . 51689 1 179 . 1 . 1 66 66 GLN H H 1 8.281 0 . 1 . . . . . 672 GLN H . 51689 1 180 . 1 . 1 66 66 GLN C C 13 175.742 0 . 1 . . . . . 672 GLN CO . 51689 1 181 . 1 . 1 66 66 GLN N N 15 120.629 0 . 1 . . . . . 672 GLN N . 51689 1 182 . 1 . 1 67 67 ASN H H 1 8.321 0 . 1 . . . . . 673 ASN H . 51689 1 183 . 1 . 1 67 67 ASN C C 13 174.950 0 . 1 . . . . . 673 ASN CO . 51689 1 184 . 1 . 1 67 67 ASN N N 15 118.917 0 . 1 . . . . . 673 ASN N . 51689 1 185 . 1 . 1 68 68 PHE H H 1 8.070 0 . 1 . . . . . 674 PHE H . 51689 1 186 . 1 . 1 68 68 PHE C C 13 175.599 0 . 1 . . . . . 674 PHE CO . 51689 1 187 . 1 . 1 68 68 PHE N N 15 120.453 0 . 1 . . . . . 674 PHE N . 51689 1 188 . 1 . 1 69 69 LYS H H 1 8.181 0 . 1 . . . . . 675 LYS H . 51689 1 189 . 1 . 1 69 69 LYS C C 13 176.237 0 . 1 . . . . . 675 LYS CO . 51689 1 190 . 1 . 1 69 69 LYS N N 15 122.841 0 . 1 . . . . . 675 LYS N . 51689 1 191 . 1 . 1 70 70 ARG H H 1 8.282 0 . 1 . . . . . 676 ARG H . 51689 1 192 . 1 . 1 70 70 ARG C C 13 176.873 0 . 1 . . . . . 676 ARG CO . 51689 1 193 . 1 . 1 70 70 ARG N N 15 122.609 0 . 1 . . . . . 676 ARG N . 51689 1 194 . 1 . 1 71 71 GLY H H 1 8.457 0 . 1 . . . . . 677 GLY H . 51689 1 195 . 1 . 1 71 71 GLY C C 13 174.266 0 . 1 . . . . . 677 GLY CO . 51689 1 196 . 1 . 1 71 71 GLY N N 15 110.403 0 . 1 . . . . . 677 GLY N . 51689 1 197 . 1 . 1 72 72 SER H H 1 8.326 0 . 1 . . . . . 678 SER H . 51689 1 198 . 1 . 1 72 72 SER C C 13 175.294 0 . 1 . . . . . 678 SER CO . 51689 1 199 . 1 . 1 72 72 SER N N 15 115.683 0 . 1 . . . . . 678 SER N . 51689 1 200 . 1 . 1 73 73 GLY H H 1 8.547 0 . 1 . . . . . 679 GLY H . 51689 1 201 . 1 . 1 73 73 GLY C C 13 174.212 0 . 1 . . . . . 679 GLY CO . 51689 1 202 . 1 . 1 73 73 GLY N N 15 110.822 0 . 1 . . . . . 679 GLY N . 51689 1 203 . 1 . 1 74 74 GLN H H 1 8.251 0 . 1 . . . . . 680 GLN H . 51689 1 204 . 1 . 1 74 74 GLN C C 13 176.064 0 . 1 . . . . . 680 GLN CO . 51689 1 205 . 1 . 1 74 74 GLN N N 15 119.844 0 . 1 . . . . . 680 GLN N . 51689 1 206 . 1 . 1 75 75 SER H H 1 8.417 0 . 1 . . . . . 681 SER H . 51689 1 207 . 1 . 1 75 75 SER C C 13 174.585 0 . 1 . . . . . 681 SER CO . 51689 1 208 . 1 . 1 75 75 SER N N 15 117.225 0 . 1 . . . . . 681 SER N . 51689 1 209 . 1 . 1 76 76 GLY H H 1 8.275 0 . 1 . . . . . 682 GLY H . 51689 1 210 . 1 . 1 76 76 GLY N N 15 110.571 0 . 1 . . . . . 682 GLY N . 51689 1 211 . 1 . 1 77 77 PRO C C 13 177.370 0 . 1 . . . . . 683 PRO CO . 51689 1 212 . 1 . 1 78 78 ARG H H 1 8.526 0 . 1 . . . . . 684 ARG H . 51689 1 213 . 1 . 1 78 78 ARG C C 13 176.897 0 . 1 . . . . . 684 ARG CO . 51689 1 214 . 1 . 1 78 78 ARG N N 15 121.334 0 . 1 . . . . . 684 ARG N . 51689 1 215 . 1 . 1 79 79 GLY H H 1 8.334 0 . 1 . . . . . 685 GLY H . 51689 1 216 . 1 . 1 79 79 GLY C C 13 173.293 0 . 1 . . . . . 685 GLY CO . 51689 1 217 . 1 . 1 79 79 GLY N N 15 109.834 0 . 1 . . . . . 685 GLY N . 51689 1 218 . 1 . 1 80 80 ALA H H 1 8.140 0 . 1 . . . . . 686 ALA H . 51689 1 219 . 1 . 1 80 80 ALA N N 15 124.794 0 . 1 . . . . . 686 ALA N . 51689 1 220 . 1 . 1 81 81 PRO C C 13 177.034 0 . 1 . . . . . 687 PRO CO . 51689 1 221 . 1 . 1 82 82 ARG H H 1 8.491 0 . 1 . . . . . 688 ARG H . 51689 1 222 . 1 . 1 82 82 ARG C C 13 176.992 0 . 1 . . . . . 688 ARG CO . 51689 1 223 . 1 . 1 82 82 ARG N N 15 121.496 0 . 1 . . . . . 688 ARG N . 51689 1 224 . 1 . 1 83 83 GLY H H 1 8.433 0 . 1 . . . . . 689 GLY H . 51689 1 225 . 1 . 1 83 83 GLY C C 13 174.081 0 . 1 . . . . . 689 GLY CO . 51689 1 226 . 1 . 1 83 83 GLY N N 15 110.080 0 . 1 . . . . . 689 GLY N . 51689 1 227 . 1 . 1 84 84 ARG H H 1 8.343 0 . 1 . . . . . 690 ARG H . 51689 1 228 . 1 . 1 84 84 ARG C C 13 176.903 0 . 1 . . . . . 690 ARG CO . 51689 1 229 . 1 . 1 84 84 ARG N N 15 120.604 0 . 1 . . . . . 690 ARG N . 51689 1 230 . 1 . 1 85 85 GLY H H 1 8.494 0 . 1 . . . . . 691 GLY H . 51689 1 231 . 1 . 1 85 85 GLY C C 13 174.200 0 . 1 . . . . . 691 GLY CO . 51689 1 232 . 1 . 1 85 85 GLY N N 15 110.115 0 . 1 . . . . . 691 GLY N . 51689 1 233 . 1 . 1 86 86 GLY H H 1 8.158 0 . 1 . . . . . 692 GLY H . 51689 1 234 . 1 . 1 86 86 GLY N N 15 108.839 0 . 1 . . . . . 692 GLY N . 51689 1 235 . 1 . 1 88 88 PRO C C 13 176.689 0 . 1 . . . . . 694 PRO CO . 51689 1 236 . 1 . 1 89 89 ARG H H 1 8.399 0 . 1 . . . . . 695 ARG H . 51689 1 237 . 1 . 1 89 89 ARG N N 15 122.078 0 . 1 . . . . . 695 ARG N . 51689 1 238 . 1 . 1 90 90 PRO C C 13 176.665 0 . 1 . . . . . 696 PRO CO . 51689 1 239 . 1 . 1 91 91 ASN H H 1 8.566 0 . 1 . . . . . 697 ASN H . 51689 1 240 . 1 . 1 91 91 ASN C C 13 175.284 0 . 1 . . . . . 697 ASN CO . 51689 1 241 . 1 . 1 91 91 ASN N N 15 119.329 0 . 1 . . . . . 697 ASN N . 51689 1 242 . 1 . 1 92 92 ARG H H 1 8.374 0 . 1 . . . . . 698 ARG H . 51689 1 243 . 1 . 1 92 92 ARG C C 13 176.554 0 . 1 . . . . . 698 ARG CO . 51689 1 244 . 1 . 1 92 92 ARG N N 15 121.275 0 . 1 . . . . . 698 ARG N . 51689 1 245 . 1 . 1 93 93 GLY H H 1 8.432 0 . 1 . . . . . 699 GLY H . 51689 1 246 . 1 . 1 93 93 GLY C C 13 173.781 0 . 1 . . . . . 699 GLY CO . 51689 1 247 . 1 . 1 93 93 GLY N N 15 109.526 0 . 1 . . . . . 699 GLY N . 51689 1 248 . 1 . 1 94 94 MET H H 1 8.130 0 . 1 . . . . . 700 MET H . 51689 1 249 . 1 . 1 94 94 MET N N 15 120.814 0 . 1 . . . . . 700 MET N . 51689 1 250 . 1 . 1 95 95 PRO C C 13 176.785 0 . 1 . . . . . 701 PRO CO . 51689 1 251 . 1 . 1 96 96 GLN H H 1 8.514 0 . 1 . . . . . 702 GLN H . 51689 1 252 . 1 . 1 96 96 GLN C C 13 176.012 0 . 1 . . . . . 702 GLN CO . 51689 1 253 . 1 . 1 96 96 GLN N N 15 120.353 0 . 1 . . . . . 702 GLN N . 51689 1 254 . 1 . 1 97 97 MET H H 1 8.422 0 . 1 . . . . . 703 MET H . 51689 1 255 . 1 . 1 97 97 MET C C 13 175.922 0 . 1 . . . . . 703 MET CO . 51689 1 256 . 1 . 1 97 97 MET N N 15 121.623 0 . 1 . . . . . 703 MET N . 51689 1 257 . 1 . 1 98 98 ASN H H 1 8.550 0 . 1 . . . . . 704 ASN H . 51689 1 258 . 1 . 1 98 98 ASN C C 13 175.456 0 . 1 . . . . . 704 ASN CO . 51689 1 259 . 1 . 1 98 98 ASN N N 15 119.925 0 . 1 . . . . . 704 ASN N . 51689 1 260 . 1 . 1 99 99 THR H H 1 8.130 0 . 1 . . . . . 705 THR H . 51689 1 261 . 1 . 1 99 99 THR C C 13 174.531 0 . 1 . . . . . 705 THR CO . 51689 1 262 . 1 . 1 99 99 THR N N 15 114.013 0 . 1 . . . . . 705 THR N . 51689 1 263 . 1 . 1 100 100 GLN H H 1 8.371 0 . 1 . . . . . 706 GLN H . 51689 1 264 . 1 . 1 100 100 GLN C C 13 175.673 0 . 1 . . . . . 706 GLN CO . 51689 1 265 . 1 . 1 100 100 GLN N N 15 122.134 0 . 1 . . . . . 706 GLN N . 51689 1 266 . 1 . 1 101 101 GLN H H 1 8.384 0 . 1 . . . . . 707 GLN H . 51689 1 267 . 1 . 1 101 101 GLN C C 13 175.645 0 . 1 . . . . . 707 GLN CO . 51689 1 268 . 1 . 1 101 101 GLN N N 15 122.182 0 . 1 . . . . . 707 GLN N . 51689 1 269 . 1 . 1 102 102 VAL H H 1 8.252 0 . 1 . . . . . 708 VAL H . 51689 1 270 . 1 . 1 102 102 VAL C C 13 175.048 0 . 1 . . . . . 708 VAL CO . 51689 1 271 . 1 . 1 102 102 VAL N N 15 121.861 0 . 1 . . . . . 708 VAL N . 51689 1 272 . 1 . 1 103 103 ASN H H 1 8.080 0 . 1 . . . . . 709 ASN H . 51689 1 273 . 1 . 1 103 103 ASN N N 15 127.517 0 . 1 . . . . . 709 ASN N . 51689 1 stop_ save_