data_nef_c30471_6dl4 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6DL4 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ARG start . . 2 A 2 MET middle . . 3 A 3 ALA middle . . 4 A 4 HIS middle . . 5 A 5 GLU middle . . 6 A 6 GLY middle . false 7 A 7 ALA middle . . 8 A 8 LEU middle . . 9 A 9 THR middle . . 10 A 10 GLY middle . false 11 A 11 VAL middle . . 12 A 12 THR middle . . 13 A 13 THR middle . . 14 A 14 ASP middle . . 15 A 15 GLN middle . . 16 A 16 LYS middle . . 17 A 17 GLU middle . . 18 A 18 LYS middle . . 19 A 19 GLN middle . . 20 A 20 LYS middle . . 21 A 21 PRO middle . false 22 A 22 ASP middle . . 23 A 23 ILE middle . . 24 A 24 VAL middle . . 25 A 25 LEU middle . . 26 A 26 TYR middle . . 27 A 27 PRO middle . false 28 A 28 GLU middle . . 29 A 29 PRO middle . false 30 A 30 VAL middle . . 31 A 31 ARG middle . . 32 A 32 VAL middle . . 33 A 33 LEU middle . . 34 A 34 GLU middle . . 35 A 35 GLY middle . false 36 A 36 GLU middle . . 37 A 37 THR middle . . 38 A 38 ALA middle . . 39 A 39 ARG middle . . 40 A 40 PHE middle . . 41 A 41 ARG middle . . 42 A 42 CYS middle . . 43 A 43 ARG middle . . 44 A 44 VAL middle . . 45 A 45 THR middle . . 46 A 46 GLY middle . false 47 A 47 TYR middle . . 48 A 48 PRO middle . false 49 A 49 GLN middle . . 50 A 50 PRO middle . false 51 A 51 LYS middle . . 52 A 52 VAL middle . . 53 A 53 ASN middle . . 54 A 54 TRP middle . . 55 A 55 TYR middle . . 56 A 56 LEU middle . . 57 A 57 ASN middle . . 58 A 58 GLY middle . false 59 A 59 GLN middle . . 60 A 60 LEU middle . . 61 A 61 ILE middle . . 62 A 62 ARG middle . . 63 A 63 LYS middle . . 64 A 64 SER middle . . 65 A 65 LYS middle . . 66 A 66 ARG middle . . 67 A 67 PHE middle . . 68 A 68 ARG middle . . 69 A 69 VAL middle . . 70 A 70 ARG middle . . 71 A 71 TYR middle . . 72 A 72 ASP middle . . 73 A 73 GLY middle . false 74 A 74 ILE middle . . 75 A 75 HIS middle . . 76 A 76 TYR middle . . 77 A 77 LEU middle . . 78 A 78 ASP middle . . 79 A 79 ILE middle . . 80 A 80 VAL middle . . 81 A 81 ASP middle . . 82 A 82 CYS middle . . 83 A 83 LYS middle . . 84 A 84 SER middle . . 85 A 85 TYR middle . . 86 A 86 ASP middle . . 87 A 87 THR middle . . 88 A 88 GLY middle . false 89 A 89 GLU middle . . 90 A 90 VAL middle . . 91 A 91 LYS middle . . 92 A 92 VAL middle . . 93 A 93 THR middle . . 94 A 94 ALA middle . . 95 A 95 GLU middle . . 96 A 96 ASN middle . . 97 A 97 PRO middle . false 98 A 98 GLU middle . . 99 A 99 GLY middle . false 100 A 100 VAL middle . . 101 A 101 ILE middle . . 102 A 102 GLU middle . . 103 A 103 HIS middle . . 104 A 104 LYS middle . . 105 A 105 VAL middle . . 106 A 106 LYS middle . . 107 A 107 LEU middle . . 108 A 108 GLU middle . . 109 A 109 ILE middle . . 110 A 110 GLN middle . . 111 A 111 GLN middle . . 112 A 112 LEU middle . . 113 A 113 GLU middle . . 114 A 114 HIS middle . . 115 A 115 HIS middle . . 116 A 116 HIS middle . . 117 A 117 HIS middle . . 118 A 118 HIS middle . . 119 A 119 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ARG H1 H 1 8.83 0.02 A 1 ARG C C 13 171.4 0.2 A 1 ARG CA C 13 55.4 0.2 A 1 ARG CB C 13 30.7 0.2 A 1 ARG N N 15 126.6 0.1 A 7 ALA H H 1 7.82 0.02 A 7 ALA C C 13 176.7 0.2 A 7 ALA CA C 13 53.0 0.2 A 7 ALA CB C 13 19.8 0.2 A 7 ALA N N 15 129.5 0.1 A 8 LEU H H 1 7.86 0.02 A 8 LEU CA C 13 56.0 0.2 A 8 LEU CB C 13 43.0 0.2 A 8 LEU N N 15 127.3 0.1 A 9 THR H H 1 7.66 0.02 A 9 THR CA C 13 63.1 0.2 A 9 THR CB C 13 70.8 0.2 A 9 THR N N 15 121.9 0.1 A 11 VAL H H 1 7.97 0.02 A 11 VAL C C 13 173.9 0.2 A 11 VAL CA C 13 62.3 0.2 A 11 VAL CB C 13 32.8 0.2 A 11 VAL N N 15 119.3 0.1 A 12 THR H H 1 7.84 0.02 A 12 THR CA C 13 63.4 0.2 A 12 THR CB C 13 70.6 0.2 A 12 THR N N 15 121.9 0.1 A 14 ASP H H 1 8.39 0.02 A 14 ASP N N 15 121.5 0.1 A 15 GLN CA C 13 56.3 0.2 A 15 GLN CB C 13 30.8 0.2 A 16 LYS H H 1 7.90 0.02 A 16 LYS C C 13 175.8 0.2 A 16 LYS CA C 13 56.0 0.2 A 16 LYS CB C 13 32.7 0.2 A 16 LYS N N 15 113.6 0.1 A 17 GLU H H 1 7.90 0.02 A 17 GLU C C 13 176.1 0.2 A 17 GLU CA C 13 56.2 0.2 A 17 GLU CB C 13 30.4 0.2 A 17 GLU N N 15 121.6 0.1 A 18 LYS H H 1 8.31 0.02 A 18 LYS C C 13 176.6 0.2 A 18 LYS CA C 13 56.8 0.2 A 18 LYS CB C 13 33.1 0.2 A 18 LYS N N 15 121.9 0.1 A 19 GLN H H 1 9.48 0.02 A 19 GLN HA H 1 4.74 0.02 A 19 GLN HBx H 1 1.96 0.02 A 19 GLN HBy H 1 1.96 0.02 A 19 GLN HGx H 1 2.43 0.02 A 19 GLN HGy H 1 2.43 0.02 A 19 GLN C C 13 175.4 0.2 A 19 GLN CA C 13 55.4 0.2 A 19 GLN CB C 13 33.0 0.2 A 19 GLN N N 15 121.8 0.1 A 20 LYS H H 1 8.54 0.02 A 20 LYS N N 15 117.4 0.1 A 21 PRO HA H 1 5.01 0.02 A 21 PRO HBx H 1 1.62 0.02 A 21 PRO HBy H 1 1.62 0.02 A 21 PRO HDx H 1 3.85 0.02 A 21 PRO HDy H 1 3.85 0.02 A 21 PRO HGx H 1 1.44 0.02 A 21 PRO HGy H 1 1.44 0.02 A 21 PRO C C 13 174.6 0.2 A 21 PRO CA C 13 62.3 0.2 A 21 PRO CB C 13 32.6 0.2 A 22 ASP H H 1 8.08 0.02 A 22 ASP HA H 1 4.77 0.02 A 22 ASP HBx H 1 2.33 0.02 A 22 ASP HBy H 1 2.35 0.02 A 22 ASP C C 13 174.9 0.2 A 22 ASP CA C 13 52.5 0.2 A 22 ASP CB C 13 44.2 0.2 A 22 ASP N N 15 119.3 0.1 A 23 ILE H H 1 7.94 0.02 A 23 ILE HA H 1 4.00 0.02 A 23 ILE HB H 1 1.65 0.02 A 23 ILE HD1% H 1 0.3 0.02 A 23 ILE HG1x H 1 1.05 0.02 A 23 ILE HG1y H 1 1.05 0.02 A 23 ILE HG2% H 1 0.3 0.02 A 23 ILE C C 13 173.9 0.2 A 23 ILE CA C 13 61.6 0.2 A 23 ILE CB C 13 38.7 0.2 A 23 ILE N N 15 122.8 0.1 A 24 VAL H H 1 7.94 0.02 A 24 VAL HA H 1 4.35 0.02 A 24 VAL HB H 1 2.04 0.02 A 24 VAL HGx% H 1 0.79 0.02 A 24 VAL HGy% H 1 0.63 0.02 A 24 VAL C C 13 175.7 0.2 A 24 VAL CA C 13 61.3 0.2 A 24 VAL CB C 13 32.7 0.2 A 24 VAL N N 15 118.1 0.1 A 25 LEU H H 1 7.24 0.02 A 25 LEU HA H 1 4.73 0.02 A 25 LEU HBx H 1 1.64 0.02 A 25 LEU HBy H 1 1.68 0.02 A 25 LEU HDx% H 1 0.64 0.02 A 25 LEU HDy% H 1 0.77 0.02 A 25 LEU HG H 1 1.41 0.02 A 25 LEU C C 13 175.0 0.2 A 25 LEU CA C 13 55.2 0.2 A 25 LEU CB C 13 45.0 0.2 A 25 LEU N N 15 124.4 0.1 A 26 TYR H H 1 9.02 0.02 A 26 TYR HA H 1 4.25 0.02 A 26 TYR HBx H 1 2.71 0.02 A 26 TYR HBy H 1 2.71 0.02 A 26 TYR HDx H 1 6.30 0.02 A 26 TYR HDy H 1 6.30 0.02 A 26 TYR HEx H 1 6.59 0.02 A 26 TYR HEy H 1 6.59 0.02 A 26 TYR C C 13 174.3 0.2 A 26 TYR CA C 13 56.9 0.2 A 26 TYR CB C 13 38.0 0.2 A 26 TYR N N 15 125.8 0.1 A 29 PRO HA H 1 4.89 0.02 A 29 PRO HBy H 1 2.16 0.02 A 29 PRO HBx H 1 2.14 0.02 A 29 PRO HDx H 1 3.85 0.02 A 29 PRO HDy H 1 3.85 0.02 A 29 PRO C C 13 176.3 0.2 A 29 PRO CA C 13 63.2 0.2 A 29 PRO CB C 13 33.2 0.2 A 30 VAL H H 1 8.17 0.02 A 30 VAL HA H 1 4.42 0.02 A 30 VAL HB H 1 1.76 0.02 A 30 VAL HGx% H 1 0.86 0.02 A 30 VAL HGy% H 1 0.56 0.02 A 30 VAL C C 13 174.1 0.2 A 30 VAL CA C 13 61.4 0.2 A 30 VAL CB C 13 37.1 0.2 A 30 VAL N N 15 118.3 0.1 A 31 ARG H H 1 8.40 0.02 A 31 ARG HA H 1 5.62 0.02 A 31 ARG HBx H 1 1.73 0.02 A 31 ARG HBy H 1 1.73 0.02 A 31 ARG HDx H 1 3.15 0.02 A 31 ARG HDy H 1 3.15 0.02 A 31 ARG HGx H 1 1.41 0.02 A 31 ARG HGy H 1 1.41 0.02 A 31 ARG C C 13 175.4 0.2 A 31 ARG CA C 13 54.8 0.2 A 31 ARG CB C 13 32.2 0.2 A 31 ARG N N 15 129.2 0.1 A 32 VAL H H 1 8.45 0.02 A 32 VAL HA H 1 4.73 0.02 A 32 VAL HB H 1 1.92 0.02 A 32 VAL HGx% H 1 0.80 0.02 A 32 VAL HGy% H 1 0.63 0.02 A 32 VAL C C 13 174.5 0.2 A 32 VAL CA C 13 58.9 0.2 A 32 VAL CB C 13 36.0 0.2 A 32 VAL N N 15 119.0 0.1 A 33 LEU H H 1 8.44 0.02 A 33 LEU HA H 1 4.65 0.02 A 33 LEU HBx H 1 1.45 0.02 A 33 LEU HBy H 1 1.45 0.02 A 33 LEU HDx% H 1 0.70 0.02 A 33 LEU HDy% H 1 0.80 0.02 A 33 LEU HG H 1 1.31 0.02 A 33 LEU C C 13 176.9 0.2 A 33 LEU CA C 13 54.0 0.2 A 33 LEU CB C 13 43.2 0.2 A 33 LEU N N 15 121.8 0.1 A 34 GLU H H 1 7.95 0.02 A 34 GLU HA H 1 3.57 0.02 A 34 GLU HBx H 1 1.88 0.02 A 34 GLU HBy H 1 1.88 0.02 A 34 GLU HGx H 1 2.35 0.02 A 34 GLU HGy H 1 2.35 0.02 A 34 GLU C C 13 176.7 0.2 A 34 GLU CA C 13 58.4 0.2 A 34 GLU CB C 13 30.0 0.2 A 34 GLU N N 15 119.7 0.1 A 35 GLY H H 1 9.47 0.02 A 35 GLY HAx H 1 3.93 0.02 A 35 GLY HAy H 1 4.35 0.02 A 35 GLY C C 13 176.2 0.2 A 35 GLY CA C 13 44.5 0.2 A 35 GLY N N 15 112.0 0.1 A 36 GLU H H 1 8.12 0.02 A 36 GLU HA H 1 4.48 0.02 A 36 GLU HBx H 1 2.12 0.02 A 36 GLU HBy H 1 2.12 0.02 A 36 GLU HGx H 1 2.38 0.02 A 36 GLU HGy H 1 2.38 0.02 A 36 GLU C C 13 174.8 0.2 A 36 GLU CA C 13 56.4 0.2 A 36 GLU CB C 13 30.5 0.2 A 36 GLU N N 15 122.2 0.1 A 37 THR H H 1 8.41 0.02 A 37 THR HA H 1 5.27 0.02 A 37 THR HB H 1 3.90 0.02 A 37 THR HG2% H 1 0.87 0.02 A 37 THR C C 13 173.3 0.2 A 37 THR CA C 13 61.7 0.2 A 37 THR CB C 13 70.4 0.2 A 37 THR N N 15 116.4 0.1 A 38 ALA H H 1 9.10 0.02 A 38 ALA HA H 1 4.42 0.02 A 38 ALA HB% H 1 1.28 0.02 A 38 ALA C C 13 174.9 0.2 A 38 ALA CA C 13 50.4 0.2 A 38 ALA CB C 13 22.6 0.2 A 38 ALA N N 15 131.1 0.1 A 39 ARG H H 1 7.84 0.02 A 39 ARG HA H 1 5.24 0.02 A 39 ARG HBx H 1 1.47 0.02 A 39 ARG HBy H 1 1.47 0.02 A 39 ARG HDx H 1 3.04 0.02 A 39 ARG HDy H 1 3.04 0.02 A 39 ARG HGx H 1 1.78 0.02 A 39 ARG HGy H 1 1.78 0.02 A 39 ARG C C 13 175.0 0.2 A 39 ARG CA C 13 55.5 0.2 A 39 ARG CB C 13 31.9 0.2 A 39 ARG N N 15 120.8 0.1 A 40 PHE H H 1 9.38 0.02 A 40 PHE HA H 1 4.94 0.02 A 40 PHE HBy H 1 3.02 0.02 A 40 PHE HBx H 1 2.53 0.02 A 40 PHE C C 13 175.1 0.2 A 40 PHE CA C 13 56.4 0.2 A 40 PHE CB C 13 34.5 0.2 A 40 PHE N N 15 120.3 0.1 A 41 ARG H H 1 8.94 0.02 A 41 ARG HA H 1 5.63 0.02 A 41 ARG HBx H 1 1.74 0.02 A 41 ARG HBy H 1 1.75 0.02 A 41 ARG HDx H 1 3.00 0.02 A 41 ARG HDy H 1 3.00 0.02 A 41 ARG HGx H 1 1.45 0.02 A 41 ARG HGy H 1 1.45 0.02 A 41 ARG C C 13 174.7 0.2 A 41 ARG CA C 13 54.8 0.2 A 41 ARG CB C 13 33.9 0.2 A 41 ARG N N 15 120.8 0.1 A 42 CYS H H 1 9.15 0.02 A 42 CYS HA H 1 4.82 0.02 A 42 CYS HBx H 1 1.66 0.02 A 42 CYS HBy H 1 1.66 0.02 A 42 CYS C C 13 172.4 0.2 A 42 CYS CA C 13 57.5 0.2 A 42 CYS CB C 13 30.6 0.2 A 42 CYS N N 15 115.8 0.1 A 43 ARG H H 1 8.64 0.02 A 43 ARG HA H 1 5.20 0.02 A 43 ARG HBx H 1 1.87 0.02 A 43 ARG HBy H 1 1.87 0.02 A 43 ARG HDx H 1 3.00 0.02 A 43 ARG HDy H 1 3.00 0.02 A 43 ARG HGx H 1 1.45 0.02 A 43 ARG HGy H 1 1.45 0.02 A 43 ARG C C 13 174.7 0.2 A 43 ARG CA C 13 55.7 0.2 A 43 ARG CB C 13 35.3 0.2 A 43 ARG N N 15 126.9 0.1 A 44 VAL H H 1 9.32 0.02 A 44 VAL HA H 1 5.30 0.02 A 44 VAL HB H 1 2.01 0.02 A 44 VAL HGx% H 1 0.65 0.02 A 44 VAL HGy% H 1 0.65 0.02 A 44 VAL C C 13 178.3 0.2 A 44 VAL CA C 13 52.7 0.2 A 44 VAL CB C 13 34.9 0.2 A 44 VAL N N 15 122.8 0.1 A 45 THR H H 1 8.90 0.02 A 45 THR HA H 1 4.76 0.02 A 45 THR HB H 1 4.27 0.02 A 45 THR HG2% H 1 1.05 0.02 A 45 THR C C 13 173.2 0.2 A 45 THR CA C 13 59.4 0.2 A 45 THR CB C 13 71.4 0.2 A 45 THR N N 15 114.5 0.1 A 46 GLY H H 1 7.91 0.02 A 46 GLY HAy H 1 3.92 0.02 A 46 GLY HAx H 1 3.37 0.02 A 46 GLY C C 13 170.9 0.2 A 46 GLY CA C 13 44.9 0.2 A 46 GLY N N 15 106.5 0.1 A 47 TYR H H 1 8.25 0.02 A 47 TYR HA H 1 4.38 0.02 A 47 TYR HBx H 1 3.01 0.02 A 47 TYR HBy H 1 3.01 0.02 A 47 TYR HDx H 1 6.9 0.02 A 47 TYR HDy H 1 6.9 0.02 A 47 TYR C C 13 172.9 0.2 A 47 TYR CA C 13 57.2 0.2 A 47 TYR CB C 13 41.2 0.2 A 47 TYR N N 15 120.7 0.1 A 48 PRO C C 13 174.9 0.2 A 48 PRO CA C 13 62.6 0.2 A 48 PRO CB C 13 32.0 0.2 A 49 GLN H H 1 8.36 0.02 A 49 GLN HA H 1 5.02 0.02 A 49 GLN HBx H 1 1.86 0.02 A 49 GLN HBy H 1 1.86 0.02 A 49 GLN HGx H 1 2.46 0.02 A 49 GLN HGy H 1 2.46 0.02 A 49 GLN C C 13 174.0 0.2 A 49 GLN CA C 13 53.6 0.2 A 49 GLN CB C 13 31.6 0.2 A 49 GLN N N 15 120.4 0.1 A 50 PRO HA H 1 4.34 0.02 A 50 PRO HBx H 1 1.72 0.02 A 50 PRO HBy H 1 1.72 0.02 A 50 PRO HDx H 1 3.81 0.02 A 50 PRO HDy H 1 3.81 0.02 A 50 PRO HGx H 1 1.39 0.02 A 50 PRO HGy H 1 1.39 0.02 A 50 PRO C C 13 175.3 0.2 A 50 PRO CA C 13 62.7 0.2 A 50 PRO CB C 13 32.9 0.2 A 51 LYS H H 1 8.92 0.02 A 51 LYS HA H 1 4.42 0.02 A 51 LYS HBx H 1 1.71 0.02 A 51 LYS HBy H 1 1.71 0.02 A 51 LYS HDx H 1 1.64 0.02 A 51 LYS HDy H 1 1.64 0.02 A 51 LYS HEx H 1 3.13 0.02 A 51 LYS HEy H 1 3.13 0.02 A 51 LYS HGx H 1 1.35 0.02 A 51 LYS HGy H 1 1.35 0.02 A 51 LYS C C 13 176.5 0.2 A 51 LYS CA C 13 55.3 0.2 A 51 LYS CB C 13 32.9 0.2 A 51 LYS N N 15 123.6 0.1 A 52 VAL H H 1 8.54 0.02 A 52 VAL HA H 1 4.87 0.02 A 52 VAL HB H 1 0.81 0.02 A 52 VAL HGx% H 1 0.12 0.02 A 52 VAL HGy% H 1 -0.2 0.02 A 52 VAL C C 13 174.6 0.2 A 52 VAL CA C 13 61.0 0.2 A 52 VAL CB C 13 33.5 0.2 A 52 VAL N N 15 129.9 0.1 A 53 ASN H H 1 8.32 0.02 A 53 ASN HA H 1 4.86 0.02 A 53 ASN HBx H 1 2.10 0.02 A 53 ASN HBy H 1 2.50 0.02 A 53 ASN C C 13 171.4 0.2 A 53 ASN CA C 13 51.6 0.2 A 53 ASN CB C 13 43.6 0.2 A 53 ASN N N 15 125.8 0.1 A 54 TRP H H 1 8.88 0.02 A 54 TRP HA H 1 5.45 0.02 A 54 TRP HBx H 1 2.67 0.02 A 54 TRP HBy H 1 2.91 0.02 A 54 TRP C C 13 174.8 0.2 A 54 TRP CA C 13 55.1 0.2 A 54 TRP CB C 13 33.1 0.2 A 54 TRP N N 15 119.1 0.1 A 55 TYR H H 1 9.53 0.02 A 55 TYR HA H 1 5.11 0.02 A 55 TYR HBx H 1 2.28 0.02 A 55 TYR HBy H 1 2.86 0.02 A 55 TYR C C 13 174.8 0.2 A 55 TYR CA C 13 56.2 0.2 A 55 TYR CB C 13 42.5 0.2 A 55 TYR N N 15 117.8 0.1 A 56 LEU H H 1 8.52 0.02 A 56 LEU HA H 1 5.22 0.02 A 56 LEU HBx H 1 1.51 0.02 A 56 LEU HBy H 1 1.51 0.02 A 56 LEU HDx% H 1 1.12 0.02 A 56 LEU HDy% H 1 0.86 0.02 A 56 LEU C C 13 176.8 0.2 A 56 LEU CA C 13 53.3 0.2 A 56 LEU CB C 13 44.1 0.2 A 56 LEU N N 15 121.5 0.1 A 57 ASN H H 1 9.84 0.02 A 57 ASN HA H 1 4.59 0.02 A 57 ASN HBx H 1 2.93 0.02 A 57 ASN HBy H 1 2.93 0.02 A 57 ASN C C 13 175.8 0.2 A 57 ASN CA C 13 55.4 0.2 A 57 ASN CB C 13 37.4 0.2 A 57 ASN N N 15 128.3 0.1 A 58 GLY H H 1 9.42 0.02 A 58 GLY HAy H 1 4.61 0.02 A 58 GLY HAx H 1 3.45 0.02 A 58 GLY C C 13 173.7 0.2 A 58 GLY CA C 13 45.4 0.2 A 58 GLY N N 15 107.3 0.1 A 59 GLN H H 1 7.96 0.02 A 59 GLN HA H 1 4.66 0.02 A 59 GLN HBx H 1 2.13 0.02 A 59 GLN HBy H 1 2.13 0.02 A 59 GLN HGx H 1 2.34 0.02 A 59 GLN HGy H 1 2.34 0.02 A 59 GLN C C 13 175.1 0.2 A 59 GLN CA C 13 54.3 0.2 A 59 GLN CB C 13 29.9 0.2 A 59 GLN N N 15 121.0 0.1 A 60 LEU H H 1 8.68 0.02 A 60 LEU HA H 1 3.50 0.02 A 60 LEU HBx H 1 1.53 0.02 A 60 LEU HBy H 1 1.53 0.02 A 60 LEU HDx% H 1 1.20 0.02 A 60 LEU HDy% H 1 1.20 0.02 A 60 LEU C C 13 176.7 0.2 A 60 LEU CA C 13 56.2 0.2 A 60 LEU CB C 13 42.2 0.2 A 60 LEU N N 15 128.7 0.1 A 61 ILE H H 1 8.77 0.02 A 61 ILE HA H 1 3.60 0.02 A 61 ILE HB H 1 1.53 0.02 A 61 ILE HD1% H 1 0.42 0.02 A 61 ILE HG1x H 1 1.22 0.02 A 61 ILE HG1y H 1 1.22 0.02 A 61 ILE HG2% H 1 0.36 0.02 A 61 ILE C C 13 175.2 0.2 A 61 ILE CA C 13 61.9 0.2 A 61 ILE CB C 13 37.5 0.2 A 61 ILE N N 15 129.6 0.1 A 62 ARG H H 1 7.72 0.02 A 62 ARG HA H 1 4.53 0.02 A 62 ARG HBx H 1 1.81 0.02 A 62 ARG HBy H 1 1.81 0.02 A 62 ARG HDx H 1 3.19 0.02 A 62 ARG HDy H 1 3.19 0.02 A 62 ARG HGx H 1 1.64 0.02 A 62 ARG HGy H 1 1.64 0.02 A 62 ARG C C 13 175.0 0.2 A 62 ARG CA C 13 53.8 0.2 A 62 ARG CB C 13 32.3 0.2 A 62 ARG N N 15 127.5 0.1 A 63 LYS HA H 1 4.35 0.02 A 63 LYS HBx H 1 1.87 0.02 A 63 LYS HBy H 1 1.87 0.02 A 63 LYS C C 13 176.4 0.2 A 63 LYS CA C 13 58.1 0.2 A 63 LYS CB C 13 32.8 0.2 A 64 SER H H 1 9.24 0.02 A 64 SER HA H 1 4.67 0.02 A 64 SER HBx H 1 4.67 0.02 A 64 SER HBy H 1 4.67 0.02 A 64 SER C C 13 176.2 0.2 A 64 SER CA C 13 57.5 0.2 A 64 SER CB C 13 65.3 0.2 A 64 SER N N 15 120.0 0.1 A 66 ARG HA H 1 4.31 0.02 A 66 ARG HBx H 1 1.87 0.02 A 66 ARG HBy H 1 1.87 0.02 A 66 ARG HDx H 1 2.94 0.02 A 66 ARG HDy H 1 2.94 0.02 A 66 ARG HGx H 1 1.46 0.02 A 66 ARG HGy H 1 1.46 0.02 A 66 ARG C C 13 174.0 0.2 A 66 ARG CA C 13 56.8 0.2 A 66 ARG CB C 13 30.7 0.2 A 67 PHE H H 1 7.09 0.02 A 67 PHE HA H 1 5.33 0.02 A 67 PHE HBy H 1 3.20 0.02 A 67 PHE HBx H 1 2.50 0.02 A 67 PHE HDx H 1 7.25 0.02 A 67 PHE HDy H 1 7.25 0.02 A 67 PHE C C 13 174.6 0.2 A 67 PHE CA C 13 55.3 0.2 A 67 PHE CB C 13 40.2 0.2 A 67 PHE N N 15 117.1 0.1 A 68 ARG H H 1 9.07 0.02 A 68 ARG HA H 1 4.79 0.02 A 68 ARG HBx H 1 1.86 0.02 A 68 ARG HBy H 1 1.86 0.02 A 68 ARG HDx H 1 3.16 0.02 A 68 ARG HDy H 1 3.16 0.02 A 68 ARG HGx H 1 1.56 0.02 A 68 ARG HGy H 1 1.56 0.02 A 68 ARG C C 13 175.3 0.2 A 68 ARG CA C 13 54.9 0.2 A 68 ARG CB C 13 30.7 0.2 A 68 ARG N N 15 122.2 0.1 A 69 VAL H H 1 7.81 0.02 A 69 VAL HA H 1 5.06 0.02 A 69 VAL HB H 1 2.00 0.02 A 69 VAL HGx% H 1 1.15 0.02 A 69 VAL HGy% H 1 0.84 0.02 A 69 VAL C C 13 175.8 0.2 A 69 VAL CA C 13 60.7 0.2 A 69 VAL CB C 13 34.9 0.2 A 69 VAL N N 15 123.1 0.1 A 70 ARG H H 1 8.82 0.02 A 70 ARG HA H 1 5.00 0.02 A 70 ARG HBx H 1 1.83 0.02 A 70 ARG HBy H 1 1.83 0.02 A 70 ARG HDx H 1 3.16 0.02 A 70 ARG HDy H 1 3.16 0.02 A 70 ARG HGx H 1 1.43 0.02 A 70 ARG HGy H 1 1.43 0.02 A 70 ARG C C 13 174.3 0.2 A 70 ARG CA C 13 55.1 0.2 A 70 ARG CB C 13 34.6 0.2 A 70 ARG N N 15 123.6 0.1 A 71 TYR H H 1 9.31 0.02 A 71 TYR HA H 1 5.74 0.02 A 71 TYR HBx H 1 2.66 0.02 A 71 TYR HBy H 1 2.66 0.02 A 71 TYR C C 13 174.7 0.2 A 71 TYR CA C 13 56.9 0.2 A 71 TYR CB C 13 41.3 0.2 A 72 ASP H H 1 8.47 0.02 A 72 ASP HA H 1 4.44 0.02 A 72 ASP HBx H 1 3.08 0.02 A 72 ASP HBy H 1 3.08 0.02 A 72 ASP C C 13 175.9 0.2 A 72 ASP CA C 13 52.7 0.2 A 72 ASP CB C 13 41.9 0.2 A 72 ASP N N 15 128.2 0.1 A 73 GLY HAy H 1 4.45 0.02 A 73 GLY HAx H 1 3.20 0.02 A 73 GLY C C 13 174.6 0.02 A 73 GLY CA C 13 46.2 0.02 A 74 ILE H H 1 8.21 0.02 A 74 ILE HA H 1 4.01 0.02 A 74 ILE HB H 1 1.6 0.02 A 74 ILE HD1% H 1 0.20 0.02 A 74 ILE HG1x H 1 1.21 0.02 A 74 ILE HG1y H 1 1.21 0.02 A 74 ILE HG2% H 1 0.72 0.02 A 74 ILE C C 13 173.8 0.2 A 74 ILE CA C 13 60.9 0.2 A 74 ILE CB C 13 39.6 0.2 A 74 ILE N N 15 124.6 0.1 A 75 HIS H H 1 8.87 0.02 A 75 HIS HA H 1 5.14 0.02 A 75 HIS HBx H 1 3.33 0.02 A 75 HIS HBy H 1 3.55 0.02 A 75 HIS HD1 H 1 7.03 0.02 A 75 HIS HD2 H 1 7.03 0.02 A 75 HIS C C 13 174.6 0.2 A 75 HIS CA C 13 57.8 0.2 A 75 HIS CB C 13 32.3 0.2 A 75 HIS N N 15 124.3 0.1 A 76 TYR H H 1 9.23 0.02 A 76 TYR HA H 1 5.31 0.02 A 76 TYR HBx H 1 3.20 0.02 A 76 TYR HBy H 1 3.20 0.02 A 76 TYR HDx H 1 7.02 0.02 A 76 TYR HDy H 1 7.02 0.02 A 76 TYR C C 13 174.8 0.2 A 76 TYR CA C 13 57.5 0.2 A 76 TYR CB C 13 41.6 0.2 A 76 TYR N N 15 120.7 0.1 A 77 LEU H H 1 8.05 0.02 A 77 LEU HA H 1 4.85 0.02 A 77 LEU HBx H 1 1.44 0.02 A 77 LEU HBy H 1 1.44 0.02 A 77 LEU HDx% H 1 0.14 0.02 A 77 LEU HDy% H 1 -0.8 0.02 A 77 LEU C C 13 174.0 0.2 A 77 LEU CA C 13 53.5 0.2 A 77 LEU CB C 13 42.8 0.2 A 77 LEU N N 15 123.0 0.1 A 78 ASP H H 1 8.95 0.02 A 78 ASP HA H 1 4.78 0.02 A 78 ASP HBy H 1 2.67 0.02 A 78 ASP HBx H 1 2.32 0.02 A 78 ASP C C 13 174.7 0.2 A 78 ASP CA C 13 52.5 0.2 A 78 ASP CB C 13 43.0 0.2 A 78 ASP N N 15 126.0 0.1 A 79 ILE H H 1 9.27 0.02 A 79 ILE HA H 1 4.62 0.02 A 79 ILE HB H 1 1.74 0.02 A 79 ILE HD1% H 1 0.61 0.02 A 79 ILE HG1x H 1 1.07 0.02 A 79 ILE HG1y H 1 1.07 0.02 A 79 ILE HG2% H 1 0.80 0.02 A 79 ILE C C 13 174.8 0.2 A 79 ILE CA C 13 61.0 0.2 A 79 ILE CB C 13 38.9 0.2 A 79 ILE N N 15 122.8 0.1 A 80 VAL H H 1 8.79 0.02 A 80 VAL HA H 1 4.11 0.02 A 80 VAL HB H 1 1.93 0.02 A 80 VAL HGx% H 1 0.84 0.02 A 80 VAL HGy% H 1 0.84 0.02 A 80 VAL C C 13 175.2 0.2 A 80 VAL CA C 13 61.6 0.2 A 80 VAL CB C 13 33.1 0.2 A 80 VAL N N 15 126.4 0.1 A 81 ASP H H 1 8.05 0.02 A 81 ASP HA H 1 3.91 0.02 A 81 ASP HBx H 1 2.25 0.02 A 81 ASP HBy H 1 2.25 0.02 A 81 ASP C C 13 175.4 0.2 A 81 ASP CA C 13 53.8 0.2 A 81 ASP CB C 13 38.7 0.2 A 81 ASP N N 15 122.3 0.1 A 82 CYS H H 1 7.95 0.02 A 82 CYS HA H 1 4.00 0.02 A 82 CYS HBx H 1 2.75 0.02 A 82 CYS HBy H 1 2.75 0.02 A 82 CYS C C 13 175.7 0.2 A 82 CYS CA C 13 61.3 0.2 A 82 CYS CB C 13 28.7 0.2 A 82 CYS N N 15 113.9 0.1 A 83 LYS H H 1 9.32 0.02 A 83 LYS HA H 1 4.62 0.02 A 83 LYS HBx H 1 1.74 0.02 A 83 LYS HBy H 1 1.74 0.02 A 83 LYS HDx H 1 1.64 0.02 A 83 LYS HDy H 1 1.64 0.02 A 83 LYS HEx H 1 3.00 0.02 A 83 LYS HEy H 1 3.00 0.02 A 83 LYS HGx H 1 1.54 0.02 A 83 LYS HGy H 1 1.54 0.02 A 83 LYS C C 13 178.3 0.2 A 83 LYS CA C 13 52.7 0.2 A 83 LYS CB C 13 34.9 0.2 A 83 LYS N N 15 122.8 0.1 A 84 SER H H 1 9.36 0.02 A 84 SER HA H 1 4.76 0.02 A 84 SER HBx H 1 3.80 0.02 A 84 SER HBy H 1 3.80 0.02 A 84 SER C C 13 176.1 0.2 A 84 SER CA C 13 62.1 0.2 A 84 SER CB C 13 62.1 0.2 A 84 SER N N 15 117.9 0.1 A 85 TYR H H 1 6.49 0.02 A 85 TYR HA H 1 4.70 0.02 A 85 TYR HBx H 1 2.92 0.02 A 85 TYR HBy H 1 3.42 0.02 A 85 TYR C C 13 176.2 0.2 A 85 TYR CA C 13 56.9 0.2 A 85 TYR CB C 13 36.4 0.2 A 85 TYR N N 15 114.6 0.1 A 86 ASP H H 1 8.10 0.02 A 86 ASP HA H 1 4.68 0.02 A 86 ASP HBx H 1 2.74 0.02 A 86 ASP HBy H 1 2.74 0.02 A 86 ASP C C 13 173.9 0.2 A 86 ASP CA C 13 56.2 0.2 A 86 ASP CB C 13 41.3 0.2 A 86 ASP N N 15 123.3 0.1 A 87 THR H H 1 7.00 0.02 A 87 THR HA H 1 3.84 0.02 A 87 THR HB H 1 4.19 0.02 A 87 THR HG2% H 1 1.48 0.02 A 87 THR C C 13 175.0 0.2 A 87 THR CA C 13 64.3 0.2 A 87 THR CB C 13 70.7 0.2 A 87 THR N N 15 112.1 0.1 A 88 GLY H H 1 9.23 0.02 A 88 GLY HAy H 1 5.30 0.02 A 88 GLY HAx H 1 3.70 0.02 A 88 GLY C C 13 172.5 0.2 A 88 GLY CA C 13 46.0 0.2 A 88 GLY N N 15 114.9 0.1 A 89 GLU H H 1 8.56 0.02 A 89 GLU HA H 1 4.96 0.02 A 89 GLU HBx H 1 1.87 0.02 A 89 GLU HBy H 1 1.87 0.02 A 89 GLU HGx H 1 2.11 0.02 A 89 GLU HGy H 1 2.11 0.02 A 89 GLU C C 13 175.0 0.2 A 89 GLU CA C 13 55.2 0.2 A 89 GLU CB C 13 34.4 0.2 A 89 GLU N N 15 125.0 0.1 A 90 VAL H H 1 9.18 0.02 A 90 VAL HA H 1 4.90 0.02 A 90 VAL HB H 1 1.40 0.02 A 90 VAL HGx% H 1 0.61 0.02 A 90 VAL HGy% H 1 0.31 0.02 A 90 VAL C C 13 173.7 0.2 A 90 VAL CA C 13 61.3 0.2 A 90 VAL CB C 13 33.1 0.2 A 90 VAL N N 15 129.5 0.1 A 91 LYS H H 1 9.08 0.02 A 91 LYS HA H 1 5.44 0.02 A 91 LYS HBx H 1 1.80 0.02 A 91 LYS HBy H 1 1.80 0.02 A 91 LYS HDx H 1 1.72 0.02 A 91 LYS HDy H 1 1.72 0.02 A 91 LYS HEx H 1 3.00 0.02 A 91 LYS HEy H 1 3.00 0.02 A 91 LYS HGx H 1 1.44 0.02 A 91 LYS HGy H 1 1.44 0.02 A 91 LYS C C 13 173.7 0.2 A 91 LYS CA C 13 53.3 0.2 A 91 LYS CB C 13 37.1 0.2 A 91 LYS N N 15 128.6 0.1 A 92 VAL H H 1 8.94 0.02 A 92 VAL HA H 1 5.13 0.02 A 92 VAL HB H 1 2.20 0.02 A 92 VAL HGx% H 1 1.24 0.02 A 92 VAL HGy% H 1 1.24 0.02 A 92 VAL C C 13 173.5 0.2 A 92 VAL CA C 13 58.1 0.2 A 92 VAL CB C 13 35.1 0.2 A 92 VAL N N 15 125.7 0.1 A 93 THR H H 1 8.78 0.02 A 93 THR HA H 1 5.24 0.02 A 93 THR HB H 1 4.06 0.02 A 93 THR HG2% H 1 1.01 0.02 A 93 THR C C 13 172.8 0.2 A 93 THR CA C 13 59.1 0.2 A 93 THR CB C 13 71.8 0.2 A 93 THR N N 15 116.6 0.1 A 94 ALA H H 1 8.71 0.02 A 94 ALA HA H 1 5.20 0.02 A 94 ALA HB% H 1 0.91 0.02 A 94 ALA C C 13 175.1 0.2 A 94 ALA CA C 13 49.7 0.2 A 94 ALA CB C 13 21.9 0.2 A 94 ALA N N 15 123.0 0.1 A 95 GLU H H 1 8.51 0.02 A 95 GLU HA H 1 5.39 0.02 A 95 GLU HBx H 1 1.88 0.02 A 95 GLU HBy H 1 1.88 0.02 A 95 GLU HGx H 1 2.12 0.02 A 95 GLU HGy H 1 2.12 0.02 A 95 GLU C C 13 174.6 0.2 A 95 GLU CA C 13 54.6 0.2 A 95 GLU CB C 13 34.9 0.2 A 95 GLU N N 15 120.8 0.1 A 96 ASN H H 1 9.21 0.02 A 96 ASN HA H 1 4.81 0.02 A 96 ASN HBx H 1 3.13 0.02 A 96 ASN HBy H 1 3.13 0.02 A 96 ASN C C 13 173.7 0.2 A 96 ASN CA C 13 51.9 0.2 A 96 ASN CB C 13 39.6 0.2 A 96 ASN N N 15 126.2 0.1 A 97 PRO HA H 1 4.31 0.02 A 97 PRO HBx H 1 1.81 0.02 A 97 PRO HBy H 1 1.81 0.02 A 97 PRO HDx H 1 3.81 0.02 A 97 PRO HDy H 1 3.81 0.02 A 97 PRO HGx H 1 2.46 0.02 A 97 PRO HGy H 1 2.46 0.02 A 97 PRO C C 13 176.8 0.2 A 97 PRO CA C 13 65.9 0.2 A 97 PRO CB C 13 31.5 0.2 A 98 GLU H H 1 7.72 0.02 A 98 GLU HA H 1 4.37 0.02 A 98 GLU HBx H 1 1.92 0.02 A 98 GLU HBy H 1 1.92 0.02 A 98 GLU HGx H 1 2.22 0.02 A 98 GLU HGy H 1 2.22 0.02 A 98 GLU C C 13 176.8 0.2 A 98 GLU CA C 13 55.1 0.2 A 98 GLU CB C 13 30.4 0.2 A 98 GLU N N 15 112.0 0.1 A 99 GLY H H 1 7.88 0.02 A 99 GLY HAx H 1 4.00 0.02 A 99 GLY HAy H 1 4.33 0.02 A 99 GLY C C 13 171.4 0.2 A 99 GLY CA C 13 45.9 0.2 A 99 GLY N N 15 106.4 0.1 A 100 VAL H H 1 8.31 0.02 A 100 VAL HA H 1 5.23 0.02 A 100 VAL HB H 1 1.95 0.02 A 100 VAL HGx% H 1 0.85 0.02 A 100 VAL HGy% H 1 0.85 0.02 A 100 VAL C C 13 174.3 0.2 A 100 VAL CA C 13 59.7 0.2 A 100 VAL CB C 13 35.6 0.2 A 100 VAL N N 15 115.7 0.1 A 101 ILE H H 1 8.69 0.02 A 101 ILE HA H 1 4.73 0.02 A 101 ILE HB H 1 1.75 0.02 A 101 ILE HD1% H 1 0.78 0.02 A 101 ILE HG1x H 1 1.33 0.02 A 101 ILE HG1y H 1 1.33 0.02 A 101 ILE HG2% H 1 0.83 0.02 A 101 ILE C C 13 171.8 0.2 A 101 ILE CA C 13 59.3 0.2 A 101 ILE CB C 13 42.1 0.2 A 101 ILE N N 15 125.2 0.1 A 102 GLU H H 1 8.12 0.02 A 102 GLU HA H 1 5.60 0.02 A 102 GLU HBx H 1 1.88 0.02 A 102 GLU HBy H 1 1.88 0.02 A 102 GLU HGx H 1 2.11 0.02 A 102 GLU HGy H 1 2.11 0.02 A 102 GLU C C 13 174.8 0.2 A 102 GLU CA C 13 53.7 0.2 A 102 GLU CB C 13 34.8 0.2 A 102 GLU N N 15 121.3 0.1 A 103 HIS H H 1 8.73 0.02 A 103 HIS HA H 1 4.8 0.02 A 103 HIS HBx H 1 2.60 0.02 A 103 HIS HBy H 1 3.00 0.02 A 103 HIS C C 13 172.8 0.2 A 103 HIS CA C 13 57.2 0.2 A 103 HIS CB C 13 35.3 0.2 A 103 HIS N N 15 119.7 0.1 A 104 LYS H H 1 7.56 0.02 A 104 LYS HA H 1 5.35 0.02 A 104 LYS HBx H 1 1.47 0.02 A 104 LYS HBy H 1 1.47 0.02 A 104 LYS HDx H 1 1.60 0.02 A 104 LYS HDy H 1 1.60 0.02 A 104 LYS HEx H 1 3.00 0.02 A 104 LYS HEy H 1 3.00 0.02 A 104 LYS HGx H 1 1.11 0.02 A 104 LYS HGy H 1 1.11 0.02 A 104 LYS C C 13 174.6 0.2 A 104 LYS CA C 13 54.9 0.2 A 104 LYS CB C 13 35.5 0.2 A 104 LYS N N 15 125.3 0.1 A 105 VAL H H 1 9.13 0.02 A 105 VAL HA H 1 4.75 0.02 A 105 VAL HB H 1 2.05 0.02 A 105 VAL HGx% H 1 0.92 0.02 A 105 VAL HGy% H 1 0.92 0.02 A 105 VAL C C 13 174.1 0.2 A 105 VAL CA C 13 58.8 0.2 A 105 VAL CB C 13 36.7 0.2 A 105 VAL N N 15 113.5 0.1 A 106 LYS H H 1 7.91 0.02 A 106 LYS HA H 1 4.67 0.02 A 106 LYS HBx H 1 1.85 0.02 A 106 LYS HBy H 1 1.85 0.02 A 106 LYS HEx H 1 2.96 0.02 A 106 LYS HEy H 1 2.96 0.02 A 106 LYS HGx H 1 1.54 0.02 A 106 LYS HGy H 1 1.54 0.02 A 106 LYS C C 13 174.4 0.2 A 106 LYS CA C 13 56.8 0.2 A 106 LYS CB C 13 34.3 0.2 A 106 LYS N N 15 121.2 0.1 A 107 LEU H H 1 8.53 0.02 A 107 LEU HA H 1 5.27 0.02 A 107 LEU HBx H 1 1.83 0.02 A 107 LEU HBy H 1 1.83 0.02 A 107 LEU HDx% H 1 0.90 0.02 A 107 LEU HDy% H 1 0.90 0.02 A 107 LEU C C 13 174.9 0.2 A 107 LEU CA C 13 53.4 0.2 A 107 LEU CB C 13 44.6 0.2 A 107 LEU N N 15 124.2 0.1 A 108 GLU H H 1 8.96 0.02 A 108 GLU HA H 1 4.68 0.02 A 108 GLU HBx H 1 2.00 0.02 A 108 GLU HBy H 1 2.00 0.02 A 108 GLU HGx H 1 2.21 0.02 A 108 GLU HGy H 1 2.21 0.02 A 108 GLU C C 13 173.3 0.2 A 108 GLU CA C 13 55.3 0.2 A 108 GLU CB C 13 33.0 0.2 A 108 GLU N N 15 127.3 0.1 A 109 ILE H H 1 7.92 0.02 A 109 ILE HA H 1 4.85 0.02 A 109 ILE HB H 1 1.70 0.02 A 109 ILE HD1% H 1 0.59 0.02 A 109 ILE HG1x H 1 0.87 0.02 A 109 ILE HG1y H 1 0.87 0.02 A 109 ILE HG2% H 1 0.37 0.02 A 109 ILE C C 13 176.0 0.2 A 109 ILE CA C 13 58.2 0.2 A 109 ILE CB C 13 37.3 0.2 A 109 ILE N N 15 125.2 0.1 A 110 GLN H H 1 9.03 0.02 A 110 GLN HA H 1 4.42 0.02 A 110 GLN HBx H 1 1.90 0.02 A 110 GLN HBy H 1 1.90 0.02 A 110 GLN HGx H 1 2.22 0.02 A 110 GLN HGy H 1 2.22 0.02 A 110 GLN C C 13 174.7 0.2 A 110 GLN CA C 13 54.8 0.2 A 110 GLN CB C 13 30.5 0.2 A 110 GLN N N 15 128.6 0.1 A 111 GLN H H 1 8.63 0.02 A 111 GLN HA H 1 4.36 0.02 A 111 GLN HBx H 1 2.00 0.02 A 111 GLN HBy H 1 2.00 0.02 A 111 GLN HGx H 1 2.36 0.02 A 111 GLN HGy H 1 2.36 0.02 A 111 GLN C C 13 176.1 0.2 A 111 GLN CA C 13 55.8 0.2 A 111 GLN CB C 13 30.3 0.2 A 111 GLN N N 15 123.6 0.1 A 112 LEU H H 1 8.81 0.02 A 112 LEU HA H 1 4.20 0.02 A 112 LEU HBx H 1 1.54 0.02 A 112 LEU HBy H 1 1.54 0.02 A 112 LEU HDx% H 1 0.87 0.02 A 112 LEU HDy% H 1 0.87 0.02 A 112 LEU C C 13 177.2 0.2 A 112 LEU CA C 13 55.7 0.2 A 112 LEU CB C 13 42.5 0.2 A 112 LEU N N 15 124.3 0.1 A 113 GLU H H 1 8.81 0.02 A 113 GLU C C 13 177.2 0.2 A 113 GLU CA C 13 55.7 0.2 A 113 GLU CB C 13 42.5 0.2 A 113 GLU N N 15 124.3 0.1 A 118 HIS HA H 1 4.53 0.02 A 118 HIS HBx H 1 3.00 0.02 A 118 HIS HBy H 1 3.00 0.02 A 118 HIS C C 13 174.2 0.2 A 118 HIS CA C 13 56.8 0.2 A 118 HIS CB C 13 32.6 0.2 A 119 HIS H H 1 7.83 0.02 A 119 HIS HA H 1 4.32 0.02 A 119 HIS HBx H 1 3.00 0.02 A 119 HIS HBy H 1 3.00 0.02 A 119 HIS C C 13 179.7 0.2 A 119 HIS CA C 13 57.6 0.2 A 119 HIS CB C 13 30.9 0.2 A 119 HIS N N 15 126.1 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 29 PRO O A 6 GLY H 1.0 2.3 2.9 2 2 A 29 PRO O A 6 GLY N 1.0 2.4 3.5 3 3 A 6 GLY O A 29 PRO N 1.0 2.4 3.5 4 4 A 24 VAL O A 43 ARG H 1.0 2.3 2.9 5 5 A 24 VAL O A 43 ARG N 1.0 2.4 3.5 6 6 A 43 ARG O A 24 VAL H 1.0 2.3 2.9 7 7 A 43 ARG O A 24 VAL N 1.0 2.4 3.5 8 8 A 38 ALA O A 79 ILE H 1.0 2.3 2.9 9 9 A 38 ALA O A 79 ILE N 1.0 2.4 3.5 10 10 A 79 ILE O A 38 ALA H 1.0 2.3 2.9 11 11 A 79 ILE O A 38 ALA N 1.0 2.4 3.5 12 12 A 40 PHE O A 77 LEU H 1.0 2.3 2.9 13 13 A 40 PHE O A 77 LEU N 1.0 2.4 3.5 14 14 A 77 LEU O A 40 PHE H 1.0 2.3 2.9 15 15 A 77 LEU O A 40 PHE N 1.0 2.4 3.5 16 16 A 42 CYS O A 75 HIS H 1.0 2.3 2.9 17 17 A 42 CYS O A 75 HIS N 1.0 2.4 3.5 18 18 A 75 HIS O A 42 CYS H 1.0 2.3 2.9 19 19 A 75 HIS O A 42 CYS N 1.0 2.4 3.5 20 20 A 73 GLY O A 44 VAL H 1.0 2.3 2.9 21 21 A 73 GLY O A 44 VAL N 1.0 2.4 3.5 22 22 A 70 ARG O A 74 ILE H 1.0 2.3 2.9 23 23 A 70 ARG O A 74 ILE N 1.0 2.4 3.5 24 24 A 74 ILE O A 70 ARG H 1.0 2.3 2.9 25 25 A 74 ILE O A 70 ARG N 1.0 2.4 3.5 26 26 A 68 ARG O A 76 TYR H 1.0 2.3 2.9 27 27 A 68 ARG O A 76 TYR N 1.0 2.4 3.5 28 28 A 106 LYS O A 30 VAL H 1.0 2.3 2.9 29 29 A 106 LYS O A 30 VAL N 1.0 2.4 3.5 30 30 A 30 VAL O A 108 GLU H 1.0 2.3 2.9 31 31 A 30 VAL O A 108 GLU N 1.0 2.4 3.5 32 32 A 108 GLU O A 32 VAL H 1.0 2.3 2.9 33 33 A 108 GLU O A 32 VAL N 1.0 2.4 3.5 34 34 A 32 VAL O A 110 GLN H 1.0 2.3 2.9 35 35 A 32 VAL O A 110 GLN N 1.0 2.4 3.5 36 36 A 110 GLN O A 34 GLU H 1.0 2.3 3.1 37 37 A 110 GLN O A 34 GLU N 1.0 2.4 3.7 38 38 A 34 GLU O A 112 LEU H 1.0 2.3 3.1 39 39 A 34 GLU O A 112 LEU N 1.0 2.4 3.7 40 40 A 99 GLY O A 96 ASN H 1.0 2.3 2.9 41 41 A 99 GLY O A 96 ASN N 1.0 2.4 3.5 42 42 A 96 ASN O A 99 GLY H 1.0 2.3 2.9 43 43 A 96 ASN O A 99 GLY N 1.0 2.4 3.5 44 44 A 101 ILE O A 94 ALA H 1.0 2.3 2.9 45 45 A 101 ILE O A 94 ALA N 1.0 2.4 3.5 46 46 A 94 ALA O A 101 ILE H 1.0 2.3 2.9 47 47 A 94 ALA O A 101 ILE N 1.0 2.4 3.5 48 48 A 103 HIS O A 92 VAL H 1.0 2.3 2.9 49 49 A 103 HIS O A 92 VAL N 1.0 2.4 3.5 50 50 A 92 VAL O A 103 HIS H 1.0 2.3 2.9 51 51 A 92 VAL O A 103 HIS N 1.0 2.4 3.5 52 52 A 105 VAL O A 90 VAL H 1.0 2.3 2.9 53 53 A 105 VAL O A 90 VAL N 1.0 2.4 3.5 54 54 A 90 VAL O A 105 VAL H 1.0 2.3 2.9 55 55 A 90 VAL O A 105 VAL N 1.0 2.4 3.5 56 56 A 107 LEU O A 88 GLY H 1.0 2.3 2.9 57 57 A 107 LEU O A 88 GLY N 1.0 2.4 3.5 58 58 A 88 GLY O A 107 LEU H 1.0 2.3 2.9 59 59 A 88 GLY O A 107 LEU N 1.0 2.4 3.5 60 60 A 109 ILE O A 86 ASP H 1.0 2.3 3.0 61 61 A 109 ILE O A 86 ASP N 1.0 2.4 3.6 62 62 A 86 ASP O A 109 ILE H 1.0 2.3 3.0 63 63 A 86 ASP O A 109 ILE N 1.0 2.4 3.6 64 64 A 95 GLU O A 51 LYS H 1.0 2.3 2.9 65 65 A 95 GLU O A 51 LYS N 1.0 2.4 3.5 66 66 A 51 LYS O A 95 GLU H 1.0 2.3 2.9 67 67 A 51 LYS O A 95 GLU N 1.0 2.4 3.5 68 68 A 93 THR O A 53 ASN H 1.0 2.3 2.9 69 69 A 93 THR O A 53 ASN N 1.0 2.4 3.5 70 70 A 53 ASN O A 93 THR H 1.0 2.3 2.9 71 71 A 53 ASN O A 93 THR N 1.0 2.4 3.5 72 72 A 91 LYS O A 55 TYR H 1.0 2.3 2.9 73 73 A 91 LYS O A 55 TYR N 1.0 2.4 3.5 74 74 A 55 TYR O A 91 LYS H 1.0 2.3 2.9 75 75 A 55 TYR O A 91 LYS N 1.0 2.4 3.5 76 76 A 89 GLU O A 57 ASN H 1.0 2.3 2.9 77 77 A 89 GLU O A 57 ASN N 1.0 2.4 3.5 78 78 A 57 ASN O A 89 GLU H 1.0 2.3 2.9 79 79 A 57 ASN O A 89 GLU N 1.0 2.4 3.5 stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 13 THR N A 13 THR H 1.0 . . . 2 2 A 14 ASP N A 14 ASP H 1.0 . . . 3 3 A 18 LYS N A 18 LYS H 1.0 . . . 4 4 A 19 GLN N A 19 GLN H 1.0 . . . 5 5 A 22 ASP N A 22 ASP H 1.0 . . . 6 6 A 23 ILE N A 23 ILE H 1.0 . . . 7 7 A 24 VAL N A 24 VAL H 1.0 . . . 8 8 A 25 LEU N A 25 LEU H 1.0 . . . 9 9 A 26 TYR N A 26 TYR H 1.0 . . . 10 10 A 30 VAL N A 30 VAL H 1.0 . . . 11 11 A 31 ARG N A 31 ARG H 1.0 . . . 12 12 A 32 VAL N A 32 VAL H 1.0 . . . 13 13 A 34 GLU N A 34 GLU H 1.0 . . . 14 14 A 35 GLY N A 35 GLY H 1.0 . . . 15 15 A 36 GLU N A 36 GLU H 1.0 . . . 16 16 A 37 THR N A 37 THR H 1.0 . . . 17 17 A 38 ALA N A 38 ALA H 1.0 . . . 18 18 A 39 ARG N A 39 ARG H 1.0 . . . 19 19 A 40 PHE N A 40 PHE H 1.0 . . . 20 20 A 41 ARG N A 41 ARG H 1.0 . . . 21 21 A 42 CYS N A 42 CYS H 1.0 . . . 22 22 A 43 ARG N A 43 ARG H 1.0 . . . 23 23 A 44 VAL N A 44 VAL H 1.0 . . . 24 24 A 45 THR N A 45 THR H 1.0 . . . 25 25 A 46 GLY N A 46 GLY H 1.0 . . . 26 26 A 47 TYR N A 47 TYR H 1.0 . . . 27 27 A 49 GLN N A 49 GLN H 1.0 . . . 28 28 A 51 LYS N A 51 LYS H 1.0 . . . 29 29 A 52 VAL N A 52 VAL H 1.0 . . . 30 30 A 53 ASN N A 53 ASN H 1.0 . . . 31 31 A 54 TRP N A 54 TRP H 1.0 . . . 32 32 A 55 TYR N A 55 TYR H 1.0 . . . 33 33 A 56 LEU N A 56 LEU H 1.0 . . . 34 34 A 57 ASN N A 57 ASN H 1.0 . . . 35 35 A 59 GLN N A 59 GLN H 1.0 . . . 36 36 A 60 LEU N A 60 LEU H 1.0 . . . 37 37 A 61 ILE N A 61 ILE H 1.0 . . . 38 38 A 62 ARG N A 62 ARG H 1.0 . . . 39 39 A 64 SER N A 64 SER H 1.0 . . . 40 40 A 67 PHE N A 67 PHE H 1.0 . . . 41 41 A 68 ARG N A 68 ARG H 1.0 . . . 42 42 A 69 VAL N A 69 VAL H 1.0 . . . 43 43 A 70 ARG N A 70 ARG H 1.0 . . . 44 44 A 72 ASP N A 72 ASP H 1.0 . . . 45 45 A 74 ILE N A 74 ILE H 1.0 . . . 46 46 A 75 HIS N A 75 HIS H 1.0 . . . 47 47 A 76 TYR N A 76 TYR H 1.0 . . . 48 48 A 77 LEU N A 77 LEU H 1.0 . . . 49 49 A 78 ASP N A 78 ASP H 1.0 . . . 50 50 A 80 VAL N A 80 VAL H 1.0 . . . 51 51 A 81 ASP N A 81 ASP H 1.0 . . . 52 52 A 82 CYS N A 82 CYS H 1.0 . . . 53 53 A 83 LYS N A 83 LYS H 1.0 . . . 54 54 A 84 SER N A 84 SER H 1.0 . . . 55 55 A 86 ASP N A 86 ASP H 1.0 . . . 56 56 A 87 THR N A 87 THR H 1.0 . . . 57 57 A 88 GLY N A 88 GLY H 1.0 . . . 58 58 A 89 GLU N A 89 GLU H 1.0 . . . 59 59 A 90 VAL N A 90 VAL H 1.0 . . . 60 60 A 91 LYS N A 91 LYS H 1.0 . . . 61 61 A 92 VAL N A 92 VAL H 1.0 . . . 62 62 A 93 THR N A 93 THR H 1.0 . . . 63 63 A 94 ALA N A 94 ALA H 1.0 . . . 64 64 A 95 GLU N A 95 GLU H 1.0 . . . 65 65 A 96 ASN N A 96 ASN H 1.0 . . . 66 66 A 98 GLU N A 98 GLU H 1.0 . . . 67 67 A 99 GLY N A 99 GLY H 1.0 . . . 68 68 A 100 VAL N A 100 VAL H 1.0 . . . 69 69 A 101 ILE N A 101 ILE H 1.0 . . . 70 70 A 103 HIS N A 103 HIS H 1.0 . . . 71 71 A 104 LYS N A 104 LYS H 1.0 . . . 72 72 A 105 VAL N A 105 VAL H 1.0 . . . 73 73 A 107 LEU N A 107 LEU H 1.0 . . . 74 74 A 108 GLU N A 108 GLU H 1.0 . . . 75 75 A 109 ILE N A 109 ILE H 1.0 . . . 76 76 A 110 GLN N A 110 GLN H 1.0 . . . 77 77 A 111 GLN N A 111 GLN H 1.0 . . . 78 78 A 112 LEU N A 112 LEU H 1.0 . . . stop_ save_