data_nef_c18796_2m06 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 4936 PDB 1q9f PDB 1qj8 BMRB 18797 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 ALA start . . 2 A 2 THR middle . . 3 A 3 SER middle . . 4 A 4 THR middle . . 5 A 5 VAL middle . . 6 A 6 THR middle . . 7 A 7 GLY middle . false 8 A 8 GLY middle . false 9 A 9 TYR middle . . 10 A 10 ALA middle . . 11 A 11 GLN middle . . 12 A 12 SER middle . . 13 A 13 ASP middle . . 14 A 14 ALA middle . . 15 A 15 GLN middle . . 16 A 16 GLY middle . false 17 A 17 GLN middle . . 18 A 18 MET middle . . 19 A 19 ASN middle . . 20 A 20 LYS middle . . 21 A 21 MET middle . . 22 A 22 GLY middle . false 23 A 23 GLY middle . false 24 A 24 PHE middle . . 25 A 25 ASN middle . . 26 A 26 LEU middle . . 27 A 27 LYS middle . . 28 A 28 TYR middle . . 29 A 29 ARG middle . . 30 A 30 TYR middle . . 31 A 31 GLU middle . . 32 A 32 GLU middle . . 33 A 33 ASP middle . . 34 A 34 ASN middle . . 35 A 35 SER middle . . 36 A 36 PRO middle . false 37 A 37 LEU middle . . 38 A 38 GLY middle . false 39 A 39 VAL middle . . 40 A 40 ILE middle . . 41 A 41 GLY middle . false 42 A 42 SER middle . . 43 A 43 PHE middle . . 44 A 44 THR middle . . 45 A 45 TYR middle . . 46 A 46 THR middle . . 47 A 47 GLU middle . . 48 A 48 LYS middle . . 49 A 49 SER middle . . 50 A 50 ARG middle . . 51 A 51 THR middle . . 52 A 52 ALA middle . . 53 A 53 SER middle . . 54 A 54 SER middle . . 55 A 55 GLY middle . false 56 A 56 ASP middle . . 57 A 57 TYR middle . . 58 A 58 ASN middle . . 59 A 59 LYS middle . . 60 A 60 ASN middle . . 61 A 61 GLN middle . . 62 A 62 TYR middle . . 63 A 63 TYR middle . . 64 A 64 GLY middle . false 65 A 65 ILE middle . . 66 A 66 THR middle . . 67 A 67 ALA middle . . 68 A 68 GLY middle . false 69 A 69 PRO middle . false 70 A 70 ALA middle . . 71 A 71 TYR middle . . 72 A 72 ARG middle . . 73 A 73 ILE middle . . 74 A 74 ASN middle . . 75 A 75 ASP middle . . 76 A 76 TRP middle . . 77 A 77 ALA middle . . 78 A 78 SER middle . . 79 A 79 ILE middle . . 80 A 80 TYR middle . . 81 A 81 GLY middle . false 82 A 82 VAL middle . . 83 A 83 VAL middle . . 84 A 84 GLY middle . false 85 A 85 VAL middle . . 86 A 86 GLY middle . false 87 A 87 TYR middle . . 88 A 88 GLY middle . false 89 A 89 LYS middle . . 90 A 90 PHE middle . . 91 A 91 GLN middle . . 92 A 92 THR middle . . 93 A 93 THR middle . . 94 A 94 GLU middle . . 95 A 95 TYR middle . . 96 A 96 PRO middle . false 97 A 97 THR middle . . 98 A 98 TYR middle . . 99 A 99 LYS middle . . 100 A 100 HIS middle . . 101 A 101 ASP middle . . 102 A 102 THR middle . . 103 A 103 SER middle . . 104 A 104 ASP middle . . 105 A 105 TYR middle . . 106 A 106 GLY middle . false 107 A 107 PHE middle . . 108 A 108 SER middle . . 109 A 109 TYR middle . . 110 A 110 GLY middle . false 111 A 111 ALA middle . . 112 A 112 GLY middle . false 113 A 113 LEU middle . . 114 A 114 GLN middle . . 115 A 115 PHE middle . . 116 A 116 ASN middle . . 117 A 117 PRO middle . false 118 A 118 MET middle . . 119 A 119 GLU middle . . 120 A 120 ASN middle . . 121 A 121 VAL middle . . 122 A 122 ALA middle . . 123 A 123 LEU middle . . 124 A 124 ASP middle . . 125 A 125 PHE middle . . 126 A 126 SER middle . . 127 A 127 TYR middle . . 128 A 128 GLU middle . . 129 A 129 GLN middle . . 130 A 130 SER middle . . 131 A 131 ARG middle . . 132 A 132 ILE middle . . 133 A 133 ARG middle . . 134 A 134 SER middle . . 135 A 135 VAL middle . . 136 A 136 ASP middle . . 137 A 137 VAL middle . . 138 A 138 GLY middle . false 139 A 139 THR middle . . 140 A 140 TRP middle . . 141 A 141 ILE middle . . 142 A 142 ALA middle . . 143 A 143 GLY middle . false 144 A 144 VAL middle . . 145 A 145 GLY middle . false 146 A 146 TYR middle . . 147 A 147 ARG middle . . 148 A 148 PHE end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 ALA C C 13 173.90 0.05 A 1 ALA CA C 13 51.76 0.05 A 2 THR H H 1 8.32 0.02 A 2 THR C C 13 173.41 0.05 A 2 THR CA C 13 61.12 0.05 A 2 THR CB C 13 71.73 0.05 A 2 THR N N 15 114.82 0.05 A 3 SER H H 1 8.85 0.02 A 3 SER C C 13 172.34 0.05 A 3 SER CA C 13 57.07 0.05 A 3 SER CB C 13 65.89 0.05 A 3 SER N N 15 123.13 0.05 A 4 THR H H 1 8.45 0.02 A 4 THR C C 13 174.51 0.05 A 4 THR CA C 13 61.29 0.05 A 4 THR CB C 13 70.60 0.05 A 4 THR N N 15 116.78 0.05 A 5 VAL H H 1 8.61 0.02 A 5 VAL C C 13 174.60 0.05 A 5 VAL CA C 13 59.53 0.05 A 5 VAL CB C 13 33.64 0.05 A 5 VAL N N 15 128.54 0.05 A 6 THR H H 1 8.76 0.02 A 6 THR C C 13 172.76 0.05 A 6 THR CA C 13 58.52 0.05 A 6 THR CB C 13 71.16 0.05 A 6 THR N N 15 116.03 0.05 A 7 GLY H H 1 8.57 0.02 A 7 GLY C C 13 172.31 0.05 A 7 GLY CA C 13 44.23 0.05 A 7 GLY N N 15 106.03 0.05 A 8 GLY H H 1 8.94 0.02 A 8 GLY C C 13 172.77 0.05 A 8 GLY CA C 13 45.74 0.05 A 8 GLY N N 15 106.07 0.05 A 9 TYR H H 1 8.20 0.02 A 9 TYR C C 13 171.99 0.05 A 9 TYR CA C 13 56.65 0.05 A 9 TYR CB C 13 41.42 0.05 A 9 TYR N N 15 121.42 0.05 A 10 ALA H H 1 6.66 0.02 A 10 ALA C C 13 174.00 0.05 A 10 ALA CA C 13 47.04 0.05 A 10 ALA CB C 13 22.56 0.05 A 10 ALA N N 15 128.53 0.05 A 11 GLN H H 1 8.04 0.02 A 11 GLN C C 13 175.30 0.05 A 11 GLN CA C 13 53.67 0.05 A 11 GLN CB C 13 31.92 0.05 A 11 GLN N N 15 121.25 0.05 A 12 SER H H 1 9.01 0.02 A 12 SER C C 13 172.45 0.05 A 12 SER CA C 13 56.98 0.05 A 12 SER CB C 13 64.30 0.05 A 12 SER N N 15 123.87 0.05 A 13 ASP H H 1 8.92 0.02 A 13 ASP C C 13 174.67 0.05 A 13 ASP CA C 13 52.70 0.05 A 13 ASP CB C 13 42.89 0.05 A 13 ASP N N 15 124.62 0.05 A 14 ALA H H 1 8.46 0.02 A 14 ALA C C 13 176.03 0.05 A 14 ALA CA C 13 49.57 0.05 A 14 ALA CB C 13 19.61 0.05 A 14 ALA N N 15 128.74 0.05 A 15 GLN H H 1 8.18 0.02 A 15 GLN C C 13 176.49 0.05 A 15 GLN CA C 13 57.02 0.05 A 15 GLN CB C 13 28.21 0.05 A 15 GLN N N 15 123.17 0.05 A 16 GLY H H 1 8.50 0.02 A 16 GLY C C 13 174.41 0.05 A 16 GLY CA C 13 44.99 0.05 A 16 GLY N N 15 112.56 0.05 A 17 GLN H H 1 7.60 0.02 A 17 GLN C C 13 176.10 0.05 A 17 GLN CA C 13 54.62 0.05 A 17 GLN N N 15 119.43 0.05 A 18 MET H H 1 8.42 0.02 A 18 MET C C 13 175.29 0.05 A 18 MET CA C 13 56.02 0.05 A 18 MET CB C 13 32.08 0.05 A 18 MET N N 15 120.13 0.05 A 19 ASN H H 1 7.84 0.02 A 19 ASN C C 13 174.40 0.05 A 19 ASN CA C 13 52.40 0.05 A 19 ASN N N 15 117.52 0.05 A 20 LYS H H 1 8.33 0.02 A 20 LYS C C 13 176.15 0.05 A 20 LYS CA C 13 55.90 0.05 A 20 LYS CB C 13 31.98 0.05 A 20 LYS N N 15 121.24 0.05 A 21 MET H H 1 8.41 0.02 A 21 MET C C 13 174.98 0.05 A 21 MET CA C 13 54.52 0.05 A 21 MET CB C 13 34.89 0.05 A 21 MET N N 15 120.17 0.05 A 22 GLY H H 1 8.32 0.02 A 22 GLY C C 13 173.60 0.05 A 22 GLY CA C 13 43.64 0.05 A 22 GLY N N 15 111.24 0.05 A 23 GLY H H 1 7.94 0.02 A 23 GLY C C 13 171.70 0.05 A 23 GLY CA C 13 46.05 0.05 A 23 GLY N N 15 109.67 0.05 A 24 PHE H H 1 9.14 0.02 A 24 PHE C C 13 171.09 0.05 A 24 PHE CA C 13 54.40 0.05 A 24 PHE CB C 13 43.47 0.05 A 24 PHE N N 15 120.63 0.05 A 25 ASN H H 1 8.33 0.02 A 25 ASN C C 13 172.02 0.05 A 25 ASN CA C 13 50.64 0.05 A 25 ASN CB C 13 46.56 0.05 A 25 ASN N N 15 118.50 0.05 A 26 LEU H H 1 9.19 0.02 A 26 LEU C C 13 175.37 0.05 A 26 LEU CA C 13 53.30 0.05 A 26 LEU CB C 13 46.71 0.05 A 26 LEU N N 15 125.59 0.05 A 27 LYS H H 1 8.70 0.02 A 27 LYS C C 13 175.00 0.05 A 27 LYS CA C 13 55.10 0.05 A 27 LYS CB C 13 36.69 0.05 A 27 LYS N N 15 117.46 0.05 A 28 TYR H H 1 8.22 0.02 A 28 TYR C C 13 171.93 0.05 A 28 TYR CA C 13 56.30 0.05 A 28 TYR CB C 13 42.10 0.05 A 28 TYR N N 15 119.94 0.05 A 29 ARG H H 1 8.33 0.02 A 29 ARG C C 13 172.15 0.05 A 29 ARG CA C 13 52.80 0.05 A 29 ARG CB C 13 34.40 0.05 A 29 ARG N N 15 129.38 0.05 A 30 TYR H H 1 8.70 0.02 A 30 TYR C C 13 174.95 0.05 A 30 TYR CA C 13 56.71 0.05 A 30 TYR CB C 13 41.98 0.05 A 30 TYR N N 15 126.93 0.05 A 31 GLU H H 1 8.04 0.02 A 31 GLU C C 13 173.88 0.05 A 31 GLU CA C 13 54.50 0.05 A 31 GLU CB C 13 32.58 0.05 A 31 GLU N N 15 128.36 0.05 A 32 GLU H H 1 8.93 0.02 A 32 GLU C C 13 176.63 0.05 A 32 GLU CA C 13 54.35 0.05 A 32 GLU CB C 13 30.81 0.05 A 32 GLU N N 15 122.49 0.05 A 33 ASP H H 1 8.42 0.02 A 33 ASP C C 13 176.80 0.05 A 33 ASP CA C 13 55.72 0.05 A 33 ASP CB C 13 40.41 0.05 A 33 ASP N N 15 121.91 0.05 A 34 ASN H H 1 8.28 0.02 A 34 ASN C C 13 174.04 0.05 A 34 ASN CA C 13 53.26 0.05 A 34 ASN CB C 13 38.00 0.05 A 34 ASN N N 15 115.12 0.05 A 35 SER H H 1 7.15 0.02 A 35 SER C C 13 173.88 0.05 A 35 SER CA C 13 54.11 0.05 A 35 SER CB C 13 64.99 0.05 A 35 SER N N 15 112.88 0.05 A 36 PRO CA C 13 63.11 0.05 A 36 PRO CB C 13 31.60 0.05 A 37 LEU H H 1 7.83 0.02 A 37 LEU C C 13 176.10 0.05 A 37 LEU CA C 13 53.66 0.05 A 37 LEU CB C 13 43.83 0.05 A 37 LEU N N 15 123.25 0.05 A 38 GLY H H 1 8.87 0.02 A 38 GLY C C 13 172.42 0.05 A 38 GLY CA C 13 44.49 0.05 A 38 GLY N N 15 116.10 0.05 A 39 VAL H H 1 7.88 0.02 A 39 VAL C C 13 171.22 0.05 A 39 VAL CA C 13 58.88 0.05 A 39 VAL CB C 13 35.65 0.05 A 39 VAL N N 15 117.66 0.05 A 40 ILE H H 1 9.03 0.02 A 40 ILE C C 13 171.69 0.05 A 40 ILE CA C 13 58.13 0.05 A 40 ILE CB C 13 44.14 0.05 A 40 ILE N N 15 125.95 0.05 A 41 GLY H H 1 8.91 0.02 A 41 GLY C C 13 171.85 0.05 A 41 GLY CA C 13 43.13 0.05 A 41 GLY N N 15 111.35 0.05 A 42 SER H H 1 9.09 0.02 A 42 SER C C 13 171.83 0.05 A 42 SER CA C 13 56.14 0.05 A 42 SER CB C 13 63.11 0.05 A 42 SER N N 15 116.57 0.05 A 43 PHE H H 1 9.14 0.02 A 43 PHE C C 13 172.48 0.05 A 43 PHE CA C 13 56.04 0.05 A 43 PHE CB C 13 42.74 0.05 A 43 PHE N N 15 129.10 0.05 A 44 THR H H 1 8.50 0.02 A 44 THR C C 13 170.95 0.05 A 44 THR CA C 13 60.08 0.05 A 44 THR CB C 13 70.45 0.05 A 44 THR N N 15 126.85 0.05 A 45 TYR H H 1 7.98 0.02 A 45 TYR C C 13 173.69 0.05 A 45 TYR CA C 13 55.53 0.05 A 45 TYR CB C 13 41.01 0.05 A 45 TYR N N 15 125.65 0.05 A 46 THR H H 1 8.39 0.02 A 46 THR C C 13 171.73 0.05 A 46 THR CA C 13 58.46 0.05 A 46 THR CB C 13 71.74 0.05 A 46 THR N N 15 117.48 0.05 A 47 GLU H H 1 8.12 0.02 A 47 GLU C C 13 175.20 0.05 A 47 GLU CA C 13 54.46 0.05 A 47 GLU CB C 13 32.78 0.05 A 47 GLU N N 15 111.89 0.05 A 48 LYS C C 13 173.90 0.05 A 48 LYS CA C 13 54.70 0.05 A 49 SER H H 1 8.44 0.02 A 49 SER C C 13 173.87 0.05 A 49 SER CA C 13 58.28 0.05 A 49 SER CB C 13 64.18 0.05 A 49 SER N N 15 123.53 0.05 A 50 ARG H H 1 8.43 0.02 A 50 ARG C C 13 175.70 0.05 A 50 ARG CA C 13 55.60 0.05 A 50 ARG CB C 13 31.08 0.05 A 50 ARG N N 15 123.48 0.05 A 51 THR H H 1 8.14 0.02 A 51 THR C C 13 174.35 0.05 A 51 THR CA C 13 61.52 0.05 A 51 THR N N 15 116.31 0.05 A 52 ALA H H 1 8.32 0.02 A 52 ALA C C 13 178.20 0.05 A 52 ALA CA C 13 51.86 0.05 A 52 ALA N N 15 127.29 0.05 A 54 SER C C 13 175.00 0.05 A 54 SER CA C 13 58.23 0.05 A 55 GLY H H 1 8.07 0.02 A 55 GLY C C 13 173.49 0.05 A 55 GLY CA C 13 44.75 0.05 A 55 GLY N N 15 110.93 0.05 A 56 ASP H H 1 7.67 0.02 A 56 ASP C C 13 175.22 0.05 A 56 ASP CA C 13 53.80 0.05 A 56 ASP CB C 13 41.22 0.05 A 56 ASP N N 15 120.54 0.05 A 57 TYR H H 1 8.07 0.02 A 57 TYR C C 13 175.31 0.05 A 57 TYR CA C 13 57.12 0.05 A 57 TYR CB C 13 38.42 0.05 A 57 TYR N N 15 121.32 0.05 A 58 ASN H H 1 8.12 0.02 A 58 ASN C C 13 173.70 0.05 A 58 ASN CA C 13 52.56 0.05 A 58 ASN CB C 13 39.80 0.05 A 58 ASN N N 15 121.65 0.05 A 59 LYS H H 1 8.08 0.02 A 59 LYS C C 13 175.26 0.05 A 59 LYS CA C 13 55.40 0.05 A 59 LYS CB C 13 34.10 0.05 A 59 LYS N N 15 121.06 0.05 A 60 ASN H H 1 8.19 0.02 A 60 ASN C C 13 175.09 0.05 A 60 ASN CA C 13 51.81 0.05 A 60 ASN CB C 13 40.10 0.05 A 60 ASN N N 15 122.50 0.05 A 61 GLN H H 1 8.31 0.02 A 61 GLN C C 13 172.28 0.05 A 61 GLN CA C 13 54.56 0.05 A 61 GLN CB C 13 35.25 0.05 A 61 GLN N N 15 120.15 0.05 A 62 TYR H H 1 8.45 0.02 A 62 TYR C C 13 171.38 0.05 A 62 TYR CA C 13 56.56 0.05 A 62 TYR CB C 13 40.11 0.05 A 62 TYR N N 15 123.20 0.05 A 63 TYR H H 1 8.20 0.02 A 63 TYR C C 13 173.95 0.05 A 63 TYR CA C 13 54.56 0.05 A 63 TYR CB C 13 41.22 0.05 A 63 TYR N N 15 123.19 0.05 A 64 GLY H H 1 8.52 0.02 A 64 GLY C C 13 174.09 0.05 A 64 GLY CA C 13 44.36 0.05 A 64 GLY N N 15 106.85 0.05 A 65 ILE H H 1 8.95 0.02 A 65 ILE C C 13 174.29 0.05 A 65 ILE CA C 13 60.04 0.05 A 65 ILE CB C 13 39.41 0.05 A 65 ILE N N 15 129.11 0.05 A 66 THR H H 1 8.82 0.02 A 66 THR C C 13 172.45 0.05 A 66 THR CA C 13 58.71 0.05 A 66 THR CB C 13 73.51 0.05 A 66 THR N N 15 115.54 0.05 A 67 ALA H H 1 9.19 0.02 A 67 ALA C C 13 176.51 0.05 A 67 ALA CA C 13 51.45 0.05 A 67 ALA CB C 13 22.34 0.05 A 67 ALA N N 15 119.09 0.05 A 68 GLY H H 1 8.83 0.02 A 68 GLY C C 13 169.52 0.05 A 68 GLY CA C 13 45.86 0.05 A 68 GLY N N 15 104.16 0.05 A 69 PRO CA C 13 61.21 0.05 A 69 PRO CB C 13 32.64 0.05 A 70 ALA H H 1 7.71 0.02 A 70 ALA C C 13 175.27 0.05 A 70 ALA CA C 13 49.35 0.05 A 70 ALA CB C 13 21.08 0.05 A 70 ALA N N 15 120.31 0.05 A 71 TYR H H 1 9.60 0.02 A 71 TYR C C 13 173.87 0.05 A 71 TYR CA C 13 55.88 0.05 A 71 TYR CB C 13 42.02 0.05 A 71 TYR N N 15 125.35 0.05 A 72 ARG H H 1 8.69 0.02 A 72 ARG C C 13 174.05 0.05 A 72 ARG CA C 13 55.91 0.05 A 72 ARG CB C 13 29.58 0.05 A 72 ARG N N 15 131.33 0.05 A 73 ILE H H 1 8.29 0.02 A 73 ILE C C 13 176.20 0.05 A 73 ILE CA C 13 62.53 0.05 A 73 ILE N N 15 129.10 0.05 A 76 TRP C C 13 176.21 0.05 A 77 ALA H H 1 7.64 0.02 A 77 ALA C C 13 175.46 0.05 A 77 ALA CA C 13 51.82 0.05 A 77 ALA N N 15 124.71 0.05 A 78 SER H H 1 7.98 0.02 A 78 SER C C 13 175.61 0.05 A 78 SER CA C 13 57.13 0.05 A 78 SER CB C 13 65.37 0.05 A 78 SER N N 15 113.83 0.05 A 79 ILE H H 1 8.88 0.02 A 79 ILE C C 13 172.45 0.05 A 79 ILE CA C 13 58.33 0.05 A 79 ILE CB C 13 42.52 0.05 A 79 ILE N N 15 119.91 0.05 A 80 TYR H H 1 8.25 0.02 A 80 TYR C C 13 172.93 0.05 A 80 TYR CA C 13 56.00 0.05 A 80 TYR CB C 13 41.09 0.05 A 80 TYR N N 15 119.90 0.05 A 81 GLY H H 1 7.95 0.02 A 81 GLY C C 13 170.71 0.05 A 81 GLY CA C 13 43.95 0.05 A 81 GLY N N 15 106.08 0.05 A 82 VAL H H 1 8.36 0.02 A 82 VAL C C 13 174.26 0.05 A 82 VAL CA C 13 58.08 0.05 A 82 VAL CB C 13 35.49 0.05 A 82 VAL N N 15 111.24 0.05 A 83 VAL H H 1 8.83 0.02 A 83 VAL C C 13 174.56 0.05 A 83 VAL CA C 13 58.95 0.05 A 83 VAL CB C 13 36.04 0.05 A 83 VAL N N 15 113.40 0.05 A 84 GLY H H 1 8.39 0.02 A 84 GLY C C 13 171.18 0.05 A 84 GLY CA C 13 46.70 0.05 A 84 GLY N N 15 108.00 0.05 A 85 VAL H H 1 8.78 0.02 A 85 VAL C C 13 172.31 0.05 A 85 VAL CA C 13 59.02 0.05 A 85 VAL CB C 13 35.76 0.05 A 85 VAL N N 15 122.71 0.05 A 86 GLY H H 1 8.71 0.02 A 86 GLY C C 13 171.91 0.05 A 86 GLY CA C 13 43.09 0.05 A 86 GLY N N 15 113.89 0.05 A 87 TYR H H 1 9.02 0.02 A 87 TYR C C 13 173.89 0.05 A 87 TYR CA C 13 55.77 0.05 A 87 TYR CB C 13 41.59 0.05 A 87 TYR N N 15 123.42 0.05 A 88 GLY H H 1 7.70 0.02 A 88 GLY C C 13 170.37 0.05 A 88 GLY CA C 13 44.49 0.05 A 88 GLY N N 15 111.63 0.05 A 89 LYS H H 1 7.94 0.02 A 89 LYS C C 13 173.96 0.05 A 89 LYS CA C 13 54.22 0.05 A 89 LYS N N 15 122.48 0.05 A 90 PHE CA C 13 54.82 0.05 A 91 GLN H H 1 8.22 0.02 A 91 GLN C C 13 176.06 0.05 A 91 GLN CA C 13 55.33 0.05 A 91 GLN CB C 13 29.30 0.05 A 91 GLN N N 15 121.63 0.05 A 92 THR H H 1 8.35 0.02 A 92 THR C C 13 174.19 0.05 A 92 THR CA C 13 61.00 0.05 A 92 THR N N 15 116.91 0.05 A 93 THR H H 1 8.12 0.02 A 93 THR C C 13 174.13 0.05 A 93 THR CA C 13 61.30 0.05 A 93 THR CB C 13 69.65 0.05 A 93 THR N N 15 116.21 0.05 A 94 GLU H H 1 8.18 0.02 A 94 GLU C C 13 174.63 0.05 A 94 GLU CA C 13 55.45 0.05 A 94 GLU CB C 13 30.41 0.05 A 94 GLU N N 15 124.15 0.05 A 95 TYR H H 1 8.07 0.02 A 95 TYR C C 13 174.80 0.05 A 95 TYR CA C 13 55.83 0.05 A 95 TYR CB C 13 39.30 0.05 A 95 TYR N N 15 123.37 0.05 A 96 PRO CA C 13 62.99 0.05 A 97 THR H H 1 7.68 0.02 A 97 THR C C 13 174.00 0.05 A 97 THR CA C 13 62.00 0.05 A 97 THR N N 15 115.37 0.05 A 98 TYR H H 1 7.88 0.02 A 98 TYR C C 13 175.18 0.05 A 98 TYR CA C 13 57.28 0.05 A 98 TYR CB C 13 38.06 0.05 A 98 TYR N N 15 122.33 0.05 A 99 LYS H H 1 7.84 0.02 A 99 LYS C C 13 175.80 0.05 A 99 LYS CA C 13 55.80 0.05 A 99 LYS N N 15 122.66 0.05 A 101 ASP C C 13 176.04 0.05 A 101 ASP CA C 13 53.94 0.05 A 101 ASP CB C 13 40.70 0.05 A 102 THR H H 1 8.03 0.02 A 102 THR C C 13 173.90 0.05 A 102 THR CA C 13 61.46 0.05 A 102 THR CB C 13 70.14 0.05 A 102 THR N N 15 114.84 0.05 A 103 SER H H 1 8.17 0.02 A 103 SER C C 13 173.50 0.05 A 103 SER CA C 13 57.41 0.05 A 103 SER CB C 13 63.97 0.05 A 103 SER N N 15 119.27 0.05 A 104 ASP H H 1 8.04 0.02 A 104 ASP C C 13 172.87 0.05 A 104 ASP CA C 13 53.67 0.05 A 104 ASP CB C 13 43.88 0.05 A 104 ASP N N 15 122.45 0.05 A 105 TYR H H 1 8.52 0.02 A 105 TYR C C 13 176.10 0.05 A 105 TYR CA C 13 56.11 0.05 A 105 TYR CB C 13 40.92 0.05 A 105 TYR N N 15 116.32 0.05 A 106 GLY H H 1 9.04 0.02 A 106 GLY C C 13 172.00 0.05 A 106 GLY CA C 13 44.34 0.05 A 106 GLY N N 15 108.37 0.05 A 107 PHE H H 1 8.64 0.02 A 107 PHE C C 13 174.80 0.05 A 107 PHE CA C 13 56.93 0.05 A 107 PHE CB C 13 40.38 0.05 A 107 PHE N N 15 121.26 0.05 A 108 SER H H 1 7.87 0.02 A 108 SER C C 13 171.25 0.05 A 108 SER CA C 13 58.16 0.05 A 108 SER CB C 13 65.50 0.05 A 108 SER N N 15 116.00 0.05 A 109 TYR H H 1 8.51 0.02 A 109 TYR C C 13 173.35 0.05 A 109 TYR CA C 13 55.20 0.05 A 109 TYR CB C 13 39.50 0.05 A 109 TYR N N 15 117.90 0.05 A 110 GLY H H 1 8.82 0.02 A 110 GLY C C 13 171.26 0.05 A 110 GLY CA C 13 46.05 0.05 A 110 GLY N N 15 106.04 0.05 A 111 ALA H H 1 8.29 0.02 A 111 ALA C C 13 174.44 0.05 A 111 ALA CA C 13 50.77 0.05 A 111 ALA CB C 13 22.49 0.05 A 111 ALA N N 15 119.09 0.05 A 112 GLY H H 1 7.70 0.02 A 112 GLY C C 13 169.62 0.05 A 112 GLY CA C 13 45.14 0.05 A 112 GLY N N 15 106.02 0.05 A 113 LEU H H 1 8.81 0.02 A 113 LEU C C 13 174.93 0.05 A 113 LEU CA C 13 52.63 0.05 A 113 LEU CB C 13 46.73 0.05 A 113 LEU N N 15 116.41 0.05 A 114 GLN H H 1 7.76 0.02 A 114 GLN C C 13 176.55 0.05 A 114 GLN CA C 13 53.58 0.05 A 114 GLN CB C 13 33.20 0.05 A 114 GLN N N 15 115.63 0.05 A 115 PHE H H 1 9.57 0.02 A 115 PHE C C 13 175.30 0.05 A 115 PHE CA C 13 55.00 0.05 A 115 PHE CB C 13 43.39 0.05 A 115 PHE N N 15 126.05 0.05 A 116 ASN H H 1 9.30 0.02 A 116 ASN CA C 13 51.16 0.05 A 116 ASN N N 15 120.04 0.05 A 118 MET H H 1 7.20 0.02 A 118 MET C C 13 176.15 0.05 A 118 MET CA C 13 53.80 0.05 A 118 MET CB C 13 36.17 0.05 A 118 MET N N 15 110.70 0.05 A 119 GLU H H 1 8.94 0.02 A 119 GLU C C 13 176.63 0.05 A 119 GLU CA C 13 59.43 0.05 A 119 GLU N N 15 120.70 0.05 A 120 ASN H H 1 8.22 0.02 A 120 ASN C C 13 174.02 0.05 A 120 ASN CA C 13 53.00 0.05 A 120 ASN CB C 13 39.39 0.05 A 120 ASN N N 15 111.90 0.05 A 121 VAL H H 1 7.38 0.02 A 121 VAL C C 13 174.45 0.05 A 121 VAL CA C 13 60.48 0.05 A 121 VAL CB C 13 34.91 0.05 A 121 VAL N N 15 117.73 0.05 A 122 ALA H H 1 8.01 0.02 A 122 ALA C C 13 175.00 0.05 A 122 ALA CA C 13 49.24 0.05 A 122 ALA CB C 13 22.92 0.05 A 122 ALA N N 15 126.80 0.05 A 123 LEU H H 1 8.86 0.02 A 123 LEU C C 13 174.14 0.05 A 123 LEU CA C 13 53.45 0.05 A 123 LEU CB C 13 44.20 0.05 A 123 LEU N N 15 120.24 0.05 A 124 ASP H H 1 8.40 0.02 A 124 ASP C C 13 171.67 0.05 A 124 ASP CA C 13 53.71 0.05 A 124 ASP CB C 13 47.50 0.05 A 124 ASP N N 15 126.85 0.05 A 125 PHE H H 1 8.53 0.02 A 125 PHE C C 13 174.05 0.05 A 125 PHE CA C 13 55.57 0.05 A 125 PHE CB C 13 42.74 0.05 A 125 PHE N N 15 123.17 0.05 A 126 SER H H 1 9.15 0.02 A 126 SER CA C 13 57.84 0.05 A 126 SER CB C 13 62.00 0.05 A 126 SER N N 15 118.50 0.05 A 127 TYR H H 1 8.52 0.02 A 127 TYR C C 13 175.14 0.05 A 127 TYR CA C 13 55.10 0.05 A 127 TYR N N 15 118.87 0.05 A 129 GLN H H 1 9.18 0.02 A 129 GLN C C 13 173.60 0.05 A 129 GLN CA C 13 53.15 0.05 A 129 GLN CB C 13 33.54 0.05 A 129 GLN N N 15 128.35 0.05 A 130 SER H H 1 8.42 0.02 A 130 SER C C 13 174.00 0.05 A 130 SER CA C 13 56.31 0.05 A 130 SER CB C 13 66.35 0.05 A 130 SER N N 15 118.03 0.05 A 131 ARG H H 1 7.58 0.02 A 131 ARG C C 13 174.56 0.05 A 131 ARG CA C 13 55.16 0.05 A 131 ARG CB C 13 31.06 0.05 A 131 ARG N N 15 126.86 0.05 A 132 ILE H H 1 8.60 0.02 A 132 ILE C C 13 175.35 0.05 A 132 ILE CA C 13 58.81 0.05 A 132 ILE CB C 13 38.60 0.05 A 132 ILE N N 15 129.48 0.05 A 133 ARG H H 1 9.24 0.02 A 133 ARG C C 13 175.11 0.05 A 133 ARG CA C 13 57.98 0.05 A 133 ARG CB C 13 27.40 0.05 A 133 ARG N N 15 127.23 0.05 A 134 SER C C 13 173.10 0.05 A 134 SER CA C 13 60.55 0.05 A 134 SER CB C 13 62.85 0.05 A 135 VAL H H 1 8.11 0.02 A 135 VAL C C 13 174.50 0.05 A 135 VAL CA C 13 61.70 0.05 A 135 VAL CB C 13 32.17 0.05 A 135 VAL N N 15 124.50 0.05 A 136 ASP H H 1 7.85 0.02 A 136 ASP C C 13 174.90 0.05 A 136 ASP CA C 13 54.04 0.05 A 136 ASP CB C 13 41.80 0.05 A 136 ASP N N 15 127.55 0.05 A 137 VAL H H 1 8.55 0.02 A 137 VAL C C 13 174.44 0.05 A 137 VAL CA C 13 60.22 0.05 A 137 VAL CB C 13 32.82 0.05 A 137 VAL N N 15 124.11 0.05 A 138 GLY H H 1 8.12 0.02 A 138 GLY C C 13 172.76 0.05 A 138 GLY CA C 13 44.35 0.05 A 138 GLY N N 15 117.13 0.05 A 139 THR H H 1 8.57 0.02 A 139 THR C C 13 172.00 0.05 A 139 THR CA C 13 60.71 0.05 A 139 THR N N 15 124.72 0.05 A 140 TRP C C 13 175.30 0.05 A 140 TRP CA C 13 56.00 0.05 A 141 ILE H H 1 8.88 0.02 A 141 ILE C C 13 174.50 0.05 A 141 ILE CA C 13 58.30 0.05 A 141 ILE N N 15 124.17 0.05 A 142 ALA H H 1 8.23 0.02 A 142 ALA C C 13 175.50 0.05 A 142 ALA CA C 13 50.50 0.05 A 142 ALA CB C 13 22.46 0.05 A 142 ALA N N 15 127.61 0.05 A 143 GLY H H 1 9.39 0.02 A 143 GLY C C 13 171.90 0.05 A 143 GLY CA C 13 45.22 0.05 A 143 GLY N N 15 109.00 0.05 A 144 VAL H H 1 8.67 0.02 A 144 VAL C C 13 173.62 0.05 A 144 VAL CA C 13 58.17 0.05 A 144 VAL CB C 13 35.76 0.05 A 144 VAL N N 15 114.56 0.05 A 145 GLY H H 1 8.52 0.02 A 145 GLY C C 13 170.96 0.05 A 145 GLY CA C 13 46.58 0.05 A 145 GLY N N 15 107.77 0.05 A 146 TYR H H 1 8.20 0.02 A 146 TYR C C 13 171.10 0.05 A 146 TYR CA C 13 55.27 0.05 A 146 TYR CB C 13 41.50 0.05 A 146 TYR N N 15 122.00 0.05 A 147 ARG H H 1 7.46 0.02 A 147 ARG C C 13 173.50 0.05 A 147 ARG CA C 13 53.19 0.05 A 147 ARG CB C 13 32.77 0.05 A 147 ARG N N 15 129.97 0.05 A 148 PHE H H 1 8.69 0.02 A 148 PHE C C 13 178.16 0.05 A 148 PHE CA C 13 57.50 0.05 A 148 PHE CB C 13 40.09 0.05 A 148 PHE N N 15 128.11 0.05 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _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 68 GLY H A 40 ILE H 1.0 0.0 2.8 2 2 A 8 GLY H A 25 ASN H 1.0 0.0 2.8 3 3 A 7 GLY H A 144 VAL H 1.0 0.0 2.8 4 4 A 110 GLY H A 82 VAL H 1.0 0.0 2.8 5 5 A 143 GLY H A 124 ASP H 1.0 0.0 2.8 6 6 A 42 SER H A 66 THR H 1.0 0.0 3.2 7 7 A 83 VAL H A 67 ALA H 1.0 0.0 2.8 8 8 A 64 GLY H A 44 THR H 1.0 0.0 2.8 9 9 A 145 GLY H A 122 ALA H 1.0 0.0 2.8 10 10 A 84 GLY H A 108 SER H 1.0 0.0 2.8 11 11 A 84 GLY H A 85 VAL H 1.0 2.7 6.7 12 12 A 112 GLY H A 80 TYR H 1.0 0.0 2.8 13 13 A 23 GLY H A 10 ALA H 1.0 0.0 3.2 14 14 A 35 SER H A 34 ASN H 1.0 0.0 4.0 15 15 A 88 GLY H A 104 ASP H 1.0 0.0 3.2 16 16 A 22 GLY H A 47 GLU H 1.0 0.0 2.8 17 17 A 86 GLY H A 106 GLY H 1.0 0.0 2.8 18 18 A 38 GLY H A 70 ALA H 1.0 0.0 2.8 19 19 A 113 LEU H A 125 PHE H 1.0 0.0 2.8 20 20 A 30 TYR H A 39 VAL H 1.0 0.0 3.2 21 21 A 85 VAL H A 65 ILE H 1.0 0.0 2.8 22 22 A 43 PHE H A 26 LEU H 1.0 0.0 2.8 23 23 A 135 VAL H A 133 ARG H 1.0 2.7 6.7 24 24 A 135 VAL H A 132 ILE H 1.0 0.0 3.2 25 25 A 135 VAL H A 134 SER H 1.0 0.0 3.2 26 26 A 123 LEU H A 115 PHE H 1.0 0.0 2.8 27 27 A 114 GLN H A 78 SER H 1.0 0.0 3.2 28 28 A 45 TYR H A 24 PHE H 1.0 0.0 2.8 29 29 A 45 TYR H A 46 THR H 1.0 2.7 6.7 30 30 A 131 ARG H A 107 PHE H 1.0 0.0 3.2 31 31 A 79 ILE H A 71 TYR H 1.0 0.0 2.8 32 32 A 34 ASN H A 32 GLU H 1.0 2.7 7.7 33 33 A 12 SER H A 21 MET H 1.0 0.0 2.8 34 34 A 61 GLN H A 89 LYS H 1.0 0.0 2.8 35 35 A 15 GLN H A 136 ASP H 1.0 0.0 4.0 36 36 A 147 ARG H A 148 PHE H 1.0 2.7 7.7 37 37 A 121 VAL H A 120 ASN H 1.0 0.0 3.2 38 38 A 15 GLN H A 14 ALA H 1.0 0.0 4.0 39 39 A 127 TYR H A 111 ALA H 1.0 0.0 3.2 40 40 A 132 ILE H A 134 SER H 1.0 0.0 4.0 41 41 A 133 ARG H A 132 ILE H 1.0 2.7 6.7 42 42 A 148 PHE H A 3 SER H 1.0 0.0 3.2 43 43 A 5 VAL H A 146 TYR H 1.0 0.0 2.8 44 44 A 9 TYR H A 142 ALA H 1.0 0.0 3.2 45 45 A 6 THR H A 27 LYS H 1.0 0.0 3.2 46 46 A 4 THR H A 29 ARG H 1.0 0.0 3.2 47 47 A 13 ASP H A 138 GLY H 1.0 0.0 2.8 48 48 A 129 GLN H A 109 TYR H 1.0 0.0 3.2 49 49 A 63 TYR H A 87 TYR H 1.0 0.0 2.8 50 50 A 46 THR H A 62 TYR H 1.0 0.0 3.2 51 51 A 41 GLY H A 28 TYR H 1.0 0.0 2.8 52 52 A 2 THR H A 31 GLU H 1.0 0.0 4.0 53 53 A 14 ALA H A 13 ASP H 1.0 2.7 7.7 54 54 A 35 SER H A 33 ASP H 1.0 2.7 7.7 55 55 A 73 ILE H A 74 ASN H 1.0 2.7 6.7 56 56 A 118 MET H A 119 GLU H 1.0 2.7 6.7 57 57 A 136 ASP H A 137 VAL H 1.0 2.7 6.7 58 58 A 137 VAL H A 130 SER H 1.0 0.0 3.2 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 4 THR H A 29 ARG O 1.0 1.8 2.6 2 2 A 29 ARG O A 4 THR N 1.0 2.6 3.5 3 3 A 29 ARG H A 4 THR O 1.0 1.8 2.6 4 4 A 4 THR O A 29 ARG N 1.0 2.6 3.5 5 5 A 6 THR H A 27 LYS O 1.0 1.8 2.6 6 6 A 27 LYS O A 6 THR N 1.0 2.6 3.5 7 7 A 27 LYS H A 6 THR O 1.0 1.8 2.6 8 8 A 6 THR O A 27 LYS N 1.0 2.6 3.5 9 9 A 8 GLY H A 25 ASN O 1.0 1.8 2.6 10 10 A 25 ASN O A 8 GLY N 1.0 2.6 3.5 11 11 A 25 ASN H A 8 GLY O 1.0 1.8 2.6 12 12 A 8 GLY O A 25 ASN N 1.0 2.6 3.5 13 13 A 10 ALA H A 23 GLY O 1.0 1.8 2.6 14 14 A 23 GLY O A 10 ALA N 1.0 2.6 3.5 15 15 A 23 GLY H A 10 ALA O 1.0 1.8 2.6 16 16 A 10 ALA O A 23 GLY N 1.0 2.6 3.5 17 17 A 12 SER H A 21 MET O 1.0 1.8 2.6 18 18 A 21 MET O A 12 SER N 1.0 2.6 3.5 19 19 A 21 MET H A 12 SER O 1.0 1.8 2.6 20 20 A 12 SER O A 21 MET N 1.0 2.6 3.5 21 21 A 3 SER H A 148 PHE O 1.0 1.8 2.6 22 22 A 148 PHE O A 3 SER N 1.0 2.6 3.5 23 23 A 148 PHE H A 3 SER O 1.0 1.8 2.6 24 24 A 3 SER O A 148 PHE N 1.0 2.6 3.5 25 25 A 5 VAL H A 146 TYR O 1.0 1.8 2.6 26 26 A 146 TYR O A 5 VAL N 1.0 2.6 3.5 27 27 A 146 TYR H A 5 VAL O 1.0 1.8 2.6 28 28 A 5 VAL O A 146 TYR N 1.0 2.6 3.5 29 29 A 7 GLY H A 144 VAL O 1.0 1.8 2.6 30 30 A 144 VAL O A 7 GLY N 1.0 2.6 3.5 31 31 A 144 VAL H A 7 GLY O 1.0 1.8 2.6 32 32 A 7 GLY O A 144 VAL N 1.0 2.6 3.5 33 33 A 9 TYR H A 142 ALA O 1.0 1.8 2.6 34 34 A 142 ALA O A 9 TYR N 1.0 2.6 3.5 35 35 A 142 ALA H A 9 TYR O 1.0 1.8 2.6 36 36 A 9 TYR O A 142 ALA N 1.0 2.6 3.5 37 37 A 13 ASP H A 138 GLY O 1.0 1.8 2.6 38 38 A 138 GLY O A 13 ASP N 1.0 2.6 3.5 39 39 A 138 GLY H A 13 ASP O 1.0 1.8 2.6 40 40 A 13 ASP O A 138 GLY N 1.0 2.6 3.5 41 41 A 15 GLN H A 136 ASP O 1.0 1.8 2.6 42 42 A 136 ASP O A 15 GLN N 1.0 2.6 3.5 43 43 A 136 ASP H A 15 GLN O 1.0 1.8 2.6 44 44 A 15 GLN O A 136 ASP N 1.0 2.6 3.5 45 45 A 22 GLY H A 47 GLU O 1.0 1.8 2.6 46 46 A 47 GLU O A 22 GLY N 1.0 2.6 3.5 47 47 A 47 GLU H A 22 GLY O 1.0 1.8 2.6 48 48 A 22 GLY O A 47 GLU N 1.0 2.6 3.5 49 49 A 24 PHE H A 45 TYR O 1.0 1.8 2.6 50 50 A 45 TYR O A 24 PHE N 1.0 2.6 3.5 51 51 A 45 TYR H A 24 PHE O 1.0 1.8 2.6 52 52 A 24 PHE O A 45 TYR N 1.0 2.6 3.5 53 53 A 26 LEU H A 43 PHE O 1.0 1.8 2.6 54 54 A 43 PHE O A 26 LEU N 1.0 2.6 3.5 55 55 A 43 PHE H A 26 LEU O 1.0 1.8 2.6 56 56 A 26 LEU O A 43 PHE N 1.0 2.6 3.5 57 57 A 28 TYR H A 41 GLY O 1.0 1.8 2.6 58 58 A 41 GLY O A 28 TYR N 1.0 2.6 3.5 59 59 A 41 GLY H A 28 TYR O 1.0 1.8 2.6 60 60 A 28 TYR O A 41 GLY N 1.0 2.6 3.5 61 61 A 30 TYR H A 39 VAL O 1.0 1.8 2.6 62 62 A 39 VAL O A 30 TYR N 1.0 2.6 3.5 63 63 A 39 VAL H A 30 TYR O 1.0 1.8 2.6 64 64 A 30 TYR O A 39 VAL N 1.0 2.6 3.5 65 65 A 38 GLY H A 70 ALA O 1.0 1.8 2.6 66 66 A 70 ALA O A 38 GLY N 1.0 2.6 3.5 67 67 A 70 ALA H A 38 GLY O 1.0 1.8 2.6 68 68 A 38 GLY O A 70 ALA N 1.0 2.6 3.5 69 69 A 40 ILE H A 68 GLY O 1.0 1.8 2.6 70 70 A 68 GLY O A 40 ILE N 1.0 2.6 3.5 71 71 A 68 GLY H A 40 ILE O 1.0 1.8 2.6 72 72 A 40 ILE O A 68 GLY N 1.0 2.6 3.5 73 73 A 42 SER H A 66 THR O 1.0 1.8 2.6 74 74 A 66 THR O A 42 SER N 1.0 2.6 3.5 75 75 A 66 THR H A 42 SER O 1.0 1.8 2.6 76 76 A 42 SER O A 66 THR N 1.0 2.6 3.5 77 77 A 44 THR H A 64 GLY O 1.0 1.8 2.6 78 78 A 64 GLY O A 44 THR N 1.0 2.6 3.5 79 79 A 64 GLY H A 44 THR O 1.0 1.8 2.6 80 80 A 44 THR O A 64 GLY N 1.0 2.6 3.5 81 81 A 46 THR H A 62 TYR O 1.0 1.8 2.6 82 82 A 62 TYR O A 46 THR N 1.0 2.6 3.5 83 83 A 62 TYR H A 46 THR O 1.0 1.8 2.6 84 84 A 46 THR O A 62 TYR N 1.0 2.6 3.5 85 85 A 61 GLN H A 89 LYS O 1.0 1.8 2.6 86 86 A 89 LYS O A 61 GLN N 1.0 2.6 3.5 87 87 A 89 LYS H A 61 GLN O 1.0 1.8 2.6 88 88 A 61 GLN O A 89 LYS N 1.0 2.6 3.5 89 89 A 63 TYR H A 87 TYR O 1.0 1.8 2.6 90 90 A 87 TYR O A 63 TYR N 1.0 2.6 3.5 91 91 A 87 TYR H A 63 TYR O 1.0 1.8 2.6 92 92 A 63 TYR O A 87 TYR N 1.0 2.6 3.5 93 93 A 65 ILE H A 85 VAL O 1.0 1.8 2.6 94 94 A 85 VAL O A 65 ILE N 1.0 2.6 3.5 95 95 A 85 VAL H A 65 ILE O 1.0 1.8 2.6 96 96 A 65 ILE O A 85 VAL N 1.0 2.6 3.5 97 97 A 67 ALA H A 83 VAL O 1.0 1.8 2.6 98 98 A 83 VAL O A 67 ALA N 1.0 2.6 3.5 99 99 A 83 VAL H A 67 ALA O 1.0 1.8 2.6 100 100 A 67 ALA O A 83 VAL N 1.0 2.6 3.5 101 101 A 81 GLY H A 69 PRO O 1.0 1.8 2.6 102 102 A 69 PRO O A 81 GLY N 1.0 2.6 3.5 103 103 A 71 TYR H A 79 ILE O 1.0 1.8 2.6 104 104 A 79 ILE O A 71 TYR N 1.0 2.6 3.5 105 105 A 79 ILE H A 71 TYR O 1.0 1.8 2.6 106 106 A 71 TYR O A 79 ILE N 1.0 2.6 3.5 107 107 A 88 GLY H A 104 ASP O 1.0 1.8 2.6 108 108 A 104 ASP O A 88 GLY N 1.0 2.6 3.5 109 109 A 104 ASP H A 88 GLY O 1.0 1.8 2.6 110 110 A 88 GLY O A 104 ASP N 1.0 2.6 3.5 111 111 A 86 GLY H A 106 GLY O 1.0 1.8 2.6 112 112 A 106 GLY O A 86 GLY N 1.0 2.6 3.5 113 113 A 106 GLY H A 86 GLY O 1.0 1.8 2.6 114 114 A 86 GLY O A 106 GLY N 1.0 2.6 3.5 115 115 A 84 GLY H A 108 SER O 1.0 1.8 2.6 116 116 A 108 SER O A 84 GLY N 1.0 2.6 3.5 117 117 A 108 SER H A 84 GLY O 1.0 1.8 2.6 118 118 A 84 GLY O A 108 SER N 1.0 2.6 3.5 119 119 A 82 VAL H A 110 GLY O 1.0 1.8 2.6 120 120 A 110 GLY O A 82 VAL N 1.0 2.6 3.5 121 121 A 110 GLY H A 82 VAL O 1.0 1.8 2.6 122 122 A 82 VAL O A 110 GLY N 1.0 2.6 3.5 123 123 A 80 TYR H A 112 GLY O 1.0 1.8 2.6 124 124 A 112 GLY O A 80 TYR N 1.0 2.6 3.5 125 125 A 112 GLY H A 80 TYR O 1.0 1.8 2.6 126 126 A 80 TYR O A 112 GLY N 1.0 2.6 3.5 127 127 A 78 SER H A 114 GLN O 1.0 1.8 2.6 128 128 A 114 GLN O A 78 SER N 1.0 2.6 3.5 129 129 A 114 GLN H A 78 SER O 1.0 1.8 2.6 130 130 A 78 SER O A 114 GLN N 1.0 2.6 3.5 131 131 A 107 PHE H A 131 ARG O 1.0 1.8 2.6 132 132 A 131 ARG O A 107 PHE N 1.0 2.6 3.5 133 133 A 131 ARG H A 107 PHE O 1.0 1.8 2.6 134 134 A 107 PHE O A 131 ARG N 1.0 2.6 3.5 135 135 A 109 TYR H A 129 GLN O 1.0 1.8 2.6 136 136 A 129 GLN O A 109 TYR N 1.0 2.6 3.5 137 137 A 129 GLN H A 109 TYR O 1.0 1.8 2.6 138 138 A 109 TYR O A 129 GLN N 1.0 2.6 3.5 139 139 A 111 ALA H A 127 TYR O 1.0 1.8 2.6 140 140 A 127 TYR O A 111 ALA N 1.0 2.6 3.5 141 141 A 127 TYR H A 111 ALA O 1.0 1.8 2.6 142 142 A 111 ALA O A 127 TYR N 1.0 2.6 3.5 143 143 A 113 LEU H A 125 PHE O 1.0 1.8 2.6 144 144 A 125 PHE O A 113 LEU N 1.0 2.6 3.5 145 145 A 125 PHE H A 113 LEU O 1.0 1.8 2.6 146 146 A 113 LEU O A 125 PHE N 1.0 2.6 3.5 147 147 A 115 PHE H A 123 LEU O 1.0 1.8 2.6 148 148 A 123 LEU O A 115 PHE N 1.0 2.6 3.5 149 149 A 123 LEU H A 115 PHE O 1.0 1.8 2.6 150 150 A 115 PHE O A 123 LEU N 1.0 2.6 3.5 151 151 A 122 ALA H A 145 GLY O 1.0 1.8 2.6 152 152 A 145 GLY O A 122 ALA N 1.0 2.6 3.5 153 153 A 145 GLY H A 122 ALA O 1.0 1.8 2.6 154 154 A 122 ALA O A 145 GLY N 1.0 2.6 3.5 155 155 A 124 ASP H A 143 GLY O 1.0 1.8 2.6 156 156 A 143 GLY O A 124 ASP N 1.0 2.6 3.5 157 157 A 143 GLY H A 124 ASP O 1.0 1.8 2.6 158 158 A 124 ASP O A 143 GLY N 1.0 2.6 3.5 159 159 A 126 SER H A 141 ILE O 1.0 1.8 2.6 160 160 A 141 ILE O A 126 SER N 1.0 2.6 3.5 161 161 A 141 ILE H A 126 SER O 1.0 1.8 2.6 162 162 A 126 SER O A 141 ILE N 1.0 2.6 3.5 163 163 A 130 SER H A 137 VAL O 1.0 1.8 2.6 164 164 A 137 VAL O A 130 SER N 1.0 2.6 3.5 165 165 A 137 VAL H A 130 SER O 1.0 1.8 2.6 166 166 A 130 SER O A 137 VAL N 1.0 2.6 3.5 167 167 A 132 ILE H A 135 VAL O 1.0 1.8 2.6 168 168 A 135 VAL O A 132 ILE N 1.0 2.6 3.5 169 169 A 135 VAL H A 132 ILE O 1.0 1.8 2.6 170 170 A 132 ILE O A 135 VAL N 1.0 2.6 3.5 stop_ save_