data_nef_c18536_2lur 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 1 CYS SG 1 15 CYS SG 1 5 CYS SG 1 17 CYS SG 1 10 CYS SG 1 22 CYS SG 1 1 CYS N 1 29 VAL C stop_ 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 CYS cyclic -HG . 2 A 2 GLY middle . false 3 A 3 GLU middle . . 4 A 4 THR middle . . 5 A 5 CYS middle -HG . 6 A 6 VAL middle . . 7 A 7 GLY middle . false 8 A 8 GLY middle . false 9 A 9 THR middle . . 10 A 10 CYS middle -HG . 11 A 11 ASN middle . . 12 A 12 THR middle . . 13 A 13 PRO middle . false 14 A 14 GLY middle . false 15 A 15 CYS middle -HG . 16 A 16 THR middle . . 17 A 17 CYS middle -HG . 18 A 18 SER middle . . 19 A 19 TRP middle . . 20 A 20 PRO middle . true 21 A 21 VAL middle . . 22 A 22 CYS middle -HG . 23 A 23 GLY middle . false 24 A 24 HIS middle . . 25 A 25 PHE middle . . 26 A 26 ARG middle . . 27 A 27 TRP middle . . 28 A 28 GLY middle . false 29 A 29 VAL cyclic . . 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 CYS H1 H 1 8.416 0.002 A 1 CYS HA H 1 4.734 0.011 A 1 CYS HBx H 1 2.948 0.054 A 1 CYS HBy H 1 3.097 0.049 A 2 GLY H H 1 8.196 0.004 A 2 GLY HAx H 1 3.777 0.042 A 2 GLY HAy H 1 3.888 0.054 A 3 GLU H H 1 7.892 0.002 A 3 GLU HA H 1 4.519 0.001 A 3 GLU HBy H 1 2.108 0.004 A 3 GLU HBx H 1 1.964 0.006 A 3 GLU HGx H 1 2.390 0.008 A 3 GLU HGy H 1 2.390 0.008 A 4 THR H H 1 8.143 0.003 A 4 THR HA H 1 4.597 0.009 A 4 THR HB H 1 4.242 0.007 A 4 THR HG2% H 1 1.114 0.003 A 5 CYS H H 1 8.564 0.001 A 5 CYS HA H 1 4.752 0.009 A 5 CYS HBx H 1 2.831 0.119 A 5 CYS HBy H 1 3.126 0.093 A 6 VAL H H 1 8.369 0.005 A 6 VAL HA H 1 3.962 0.009 A 6 VAL HB H 1 1.968 0.005 A 6 VAL HGx% H 1 0.922 0.006 A 7 GLY H H 1 8.803 0.004 A 7 GLY HAx H 1 3.911 0.054 A 7 GLY HAy H 1 3.976 0.048 A 8 GLY H H 1 8.267 0.004 A 8 GLY HAy H 1 4.249 0.007 A 8 GLY HAx H 1 3.943 0.009 A 9 THR H H 1 7.680 0.003 A 9 THR HA H 1 4.624 0.004 A 9 THR HB H 1 4.124 0.005 A 9 THR HG2% H 1 1.113 0.003 A 10 CYS H H 1 8.068 0.001 A 10 CYS HA H 1 4.745 0.011 A 10 CYS HBx H 1 3.066 0.007 A 10 CYS HBy H 1 3.066 0.007 A 11 ASN H H 1 8.739 0.005 A 11 ASN HA H 1 4.590 0.005 A 11 ASN HBx H 1 2.730 0.005 A 11 ASN HBy H 1 2.730 0.005 A 11 ASN HD2x H 1 7.077 0.363 A 12 THR H H 1 7.972 0.003 A 12 THR HA H 1 4.531 0.004 A 12 THR HB H 1 4.111 0.006 A 12 THR HG2% H 1 1.219 0.003 A 13 PRO HA H 1 4.226 0.005 A 13 PRO HBx H 1 1.844 0.005 A 13 PRO HBy H 1 2.271 0.004 A 13 PRO HDy H 1 4.033 0.005 A 13 PRO HDx H 1 3.658 0.004 A 13 PRO HGx H 1 1.954 0.041 A 13 PRO HGy H 1 2.065 0.047 A 14 GLY H H 1 8.579 0.002 A 14 GLY HAx H 1 3.619 0.156 A 14 GLY HAy H 1 4.015 0.146 A 15 CYS H H 1 7.677 0.003 A 15 CYS HA H 1 4.911 0.004 A 15 CYS HBy H 1 3.199 0.008 A 15 CYS HBx H 1 2.756 0.011 A 16 THR H H 1 9.017 0.003 A 16 THR HA H 1 4.464 0.006 A 16 THR HB H 1 3.945 0.002 A 16 THR HG2% H 1 1.052 0.003 A 17 CYS H H 1 9.050 0.003 A 17 CYS HA H 1 4.588 0.003 A 17 CYS HBy H 1 3.106 0.008 A 17 CYS HBx H 1 2.892 0.002 A 18 SER H H 1 8.938 0.004 A 18 SER HA H 1 4.661 0.004 A 18 SER HBx H 1 3.667 0.035 A 18 SER HBy H 1 3.800 0.032 A 19 TRP H H 1 8.380 0.002 A 19 TRP HA H 1 4.107 0.002 A 19 TRP HBx H 1 3.212 0.007 A 19 TRP HBy H 1 3.212 0.007 A 19 TRP HD1 H 1 7.191 0.002 A 19 TRP HE1 H 1 10.300 0.002 A 19 TRP HE3 H 1 7.414 0.001 A 19 TRP HZ2 H 1 7.481 0.005 A 20 PRO HA H 1 3.366 0.004 A 20 PRO HBy H 1 1.580 0.239 A 20 PRO HBx H 1 0.344 0.540 A 20 PRO HDy H 1 3.244 0.007 A 20 PRO HDx H 1 3.175 0.004 A 20 PRO HGx H 1 1.305 0.041 A 20 PRO HGy H 1 1.407 0.032 A 21 VAL H H 1 8.226 0.004 A 21 VAL HA H 1 4.236 0.008 A 21 VAL HB H 1 2.059 0.009 A 21 VAL HGx% H 1 0.775 0.005 A 21 VAL HGy% H 1 0.775 0.005 A 22 CYS H H 1 7.975 0.002 A 22 CYS HA H 1 4.987 0.004 A 22 CYS HBy H 1 3.089 0.011 A 22 CYS HBx H 1 2.728 0.008 A 23 GLY H H 1 8.748 0.007 A 23 GLY HAx H 1 3.862 0.128 A 23 GLY HAy H 1 4.281 0.147 A 24 HIS H H 1 8.346 0.002 A 24 HIS HA H 1 4.771 0.008 A 24 HIS HBy H 1 3.086 0.006 A 24 HIS HBx H 1 2.947 0.007 A 24 HIS HD2 H 1 6.977 0.001 A 24 HIS HE1 H 1 8.417 0.004 A 25 PHE H H 1 8.411 0.005 A 25 PHE HA H 1 4.461 0.004 A 25 PHE HBx H 1 2.874 0.009 A 25 PHE HBy H 1 2.874 0.009 A 25 PHE HDx H 1 7.135 0.003 A 25 PHE HDy H 1 7.135 0.003 A 26 ARG H H 1 8.274 0.003 A 26 ARG HA H 1 3.879 0.003 A 26 ARG HBx H 1 1.525 0.005 A 26 ARG HBy H 1 1.526 0.005 A 26 ARG HDx H 1 2.885 0.009 A 26 ARG HDy H 1 2.885 0.009 A 26 ARG HE H 1 6.932 0.002 A 26 ARG HGx H 1 1.032 0.012 A 26 ARG HGy H 1 1.032 0.012 A 27 TRP H H 1 7.699 0.008 A 27 TRP HA H 1 4.677 0.004 A 27 TRP HBy H 1 3.253 0.005 A 27 TRP HBx H 1 3.124 0.006 A 27 TRP HD1 H 1 7.101 0.006 A 27 TRP HE1 H 1 10.032 0.004 A 27 TRP HE3 H 1 7.469 0.006 A 27 TRP HZ2 H 1 7.323 0.001 A 28 GLY H H 1 7.922 0.002 A 28 GLY HAx H 1 3.892 0.033 A 28 GLY HAy H 1 3.976 0.036 A 29 VAL H H 1 8.109 0.001 A 29 VAL HA H 1 4.225 0.006 A 29 VAL HB H 1 2.165 0.005 A 29 VAL HGx% H 1 0.867 0.011 A 29 VAL HGy% H 1 0.873 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 18 SER H A 18 SER HBx 1.0 . 4.01 2 2 A 18 SER H A 18 SER HBy 1.0 . 4.01 3 3 A 19 TRP H A 19 TRP HBx 1.0 . 2.73 4 3 A 19 TRP H A 19 TRP HBy 1.0 . 2.73 5 4 A 17 CYS H A 17 CYS HBy 1.0 . 3.20 6 5 A 17 CYS H A 17 CYS HBx 1.0 . 3.20 7 6 A 16 THR H A 16 THR HB 1.0 . 4.01 8 7 A 16 THR H A 16 THR HG2% 1.0 . 4.29 9 8 A 13 PRO HA A 14 GLY H 1.0 . 2.68 10 9 A 12 THR H A 12 THR HB 1.0 . 3.74 11 10 A 12 THR H A 12 THR HG2% 1.0 . 5.09 12 11 A 21 VAL H A 21 VAL HGx% 1.0 . 3.21 13 11 A 21 VAL H A 21 VAL HGy% 1.0 . 3.21 14 12 A 21 VAL H A 21 VAL HB 1.0 . 3.80 15 13 A 22 CYS H A 22 CYS HBx 1.0 . 3.66 16 14 A 22 CYS H A 22 CYS HBy 1.0 . 3.66 17 15 A 24 HIS H A 24 HIS HBy 1.0 . 3.53 18 16 A 24 HIS H A 24 HIS HBx 1.0 . 4.02 19 17 A 25 PHE H A 25 PHE HBx 1.0 . 3.08 20 17 A 25 PHE H A 25 PHE HBy 1.0 . 3.08 21 18 A 26 ARG HA A 26 ARG HE 1.0 . 5.33 22 19 A 26 ARG HE A 26 ARG HBx 1.0 . 4.76 23 19 A 26 ARG HE A 26 ARG HBy 1.0 . 4.76 24 20 A 29 VAL H A 29 VAL HB 1.0 . 4.00 25 21 A 29 VAL H A 29 VAL HGx% 1.0 . 3.14 26 21 A 29 VAL H A 29 VAL HGy% 1.0 . 3.14 27 22 A 27 TRP H A 27 TRP HBx 1.0 . 4.06 28 23 A 27 TRP H A 27 TRP HBy 1.0 . 3.84 29 24 A 3 GLU H A 3 GLU HGx 1.0 . 4.26 30 24 A 3 GLU H A 3 GLU HGy 1.0 . 4.26 31 25 A 3 GLU H A 3 GLU HBy 1.0 . 4.15 32 26 A 3 GLU H A 3 GLU HBx 1.0 . 4.15 33 27 A 1 CYS H1 A 1 CYS HBy 1.0 . 3.82 34 28 A 1 CYS H1 A 1 CYS HBx 1.0 . 3.82 35 29 A 11 ASN H A 11 ASN HBx 1.0 . 4.01 36 29 A 11 ASN H A 11 ASN HBy 1.0 . 4.01 37 30 A 17 CYS HA A 23 GLY H 1.0 . 4.98 38 31 A 10 CYS H A 10 CYS HBx 1.0 . 3.57 39 31 A 10 CYS H A 10 CYS HBy 1.0 . 3.57 40 32 A 5 CYS H A 5 CYS HBy 1.0 . 3.74 41 33 A 5 CYS H A 5 CYS HBx 1.0 . 3.74 42 34 A 9 THR H A 9 THR HB 1.0 . 3.87 43 35 A 12 THR HB A 15 CYS H 1.0 . 4.14 44 36 A 9 THR H A 9 THR HG2% 1.0 . 4.00 45 37 A 6 VAL H A 6 VAL HB 1.0 . 3.92 46 38 A 4 THR H A 4 THR HG2% 1.0 . 3.79 47 39 A 4 THR H A 4 THR HB 1.0 . 3.94 48 40 A 16 THR H A 15 CYS HA 1.0 . 3.31 49 41 A 18 SER H A 22 CYS HA 1.0 . 3.92 50 42 A 23 GLY H A 22 CYS HA 1.0 . 3.09 51 43 A 6 VAL HA A 7 GLY H 1.0 . 3.55 52 44 A 17 CYS H A 16 THR HB 1.0 . 3.45 53 45 A 17 CYS H A 16 THR HA 1.0 . 2.79 54 46 A 6 VAL HA A 19 TRP HE1 1.0 . 3.16 55 47 A 19 TRP HE1 A 20 PRO HA 1.0 . 4.49 56 48 A 27 TRP HA A 27 TRP HE1 1.0 . 5.50 57 49 A 6 VAL HB A 7 GLY H 1.0 . 4.00 58 50 A 17 CYS H A 16 THR HG2% 1.0 . 3.63 59 51 A 19 TRP HE1 A 6 VAL HGx% 1.0 . 3.78 60 51 A 19 TRP HE1 A 6 VAL HG21 1.0 . 3.78 61 52 A 7 GLY H A 6 VAL HGx% 1.0 . 3.59 62 52 A 7 GLY H A 6 VAL HG21 1.0 . 3.59 63 53 A 5 CYS H A 4 THR HG2% 1.0 . 4.32 64 54 A 11 ASN HD2x A 11 ASN HBx 1.0 . 3.66 65 54 A 11 ASN HBy A 11 ASN HD2x 1.0 . 3.66 66 55 A 11 ASN HD2y A 11 ASN HBx 1.0 . 3.66 67 55 A 11 ASN HBy A 11 ASN HD2y 1.0 . 3.66 68 56 A 27 TRP HBx A 27 TRP HD1 1.0 . 3.43 69 57 A 24 HIS HBy A 24 HIS HD2 1.0 . 3.27 70 58 A 19 TRP HD1 A 19 TRP HBx 1.0 . 2.71 71 58 A 19 TRP HBy A 19 TRP HD1 1.0 . 2.71 72 59 A 27 TRP HBy A 27 TRP HE3 1.0 . 4.11 73 60 A 19 TRP HE3 A 19 TRP HBx 1.0 . 3.07 74 60 A 19 TRP HBy A 19 TRP HE3 1.0 . 3.07 75 61 A 20 PRO HA A 19 TRP HE3 1.0 . 4.80 76 62 A 20 PRO HA A 19 TRP HD1 1.0 . 3.31 77 63 A 6 VAL HA A 19 TRP HD1 1.0 . 3.17 78 64 A 19 TRP HD1 A 19 TRP HA 1.0 . 3.58 79 65 A 19 TRP HE3 A 19 TRP HA 1.0 . 4.92 80 66 A 6 VAL HA A 19 TRP HZ2 1.0 . 5.40 81 67 A 27 TRP HBx A 28 GLY H 1.0 . 3.90 82 68 A 27 TRP HBy A 28 GLY H 1.0 . 3.71 83 69 A 21 VAL H A 20 PRO HDy 1.0 . 3.87 84 70 A 6 VAL H A 20 PRO HA 1.0 . 5.22 85 71 A 19 TRP H A 20 PRO HA 1.0 . 5.50 86 72 A 2 GLY H A 1 CYS HBx 1.0 . 3.85 87 73 A 2 GLY H A 1 CYS HBy 1.0 . 3.85 88 74 A 26 ARG H A 25 PHE HBx 1.0 . 3.37 89 74 A 25 PHE HBy A 26 ARG H 1.0 . 3.37 90 75 A 27 TRP HBy A 26 ARG H 1.0 . 5.07 91 76 A 29 VAL H A 27 TRP HBy 1.0 . 4.22 92 77 A 14 GLY H A 13 PRO HBy 1.0 . 4.59 93 78 A 29 VAL HB A 1 CYS H1 1.0 . 4.39 94 79 A 29 VAL HB A 2 GLY H 1.0 . 5.00 95 80 A 4 THR H A 3 GLU HBy 1.0 . 4.19 96 81 A 4 THR H A 3 GLU HBx 1.0 . 4.19 97 82 A 27 TRP H A 26 ARG HBx 1.0 . 4.01 98 82 A 26 ARG HBy A 27 TRP H 1.0 . 4.01 99 83 A 26 ARG H A 26 ARG HBx 1.0 . 3.49 100 83 A 26 ARG HBy A 26 ARG H 1.0 . 3.49 101 84 A 26 ARG H A 26 ARG HGx 1.0 . 4.26 102 84 A 26 ARG H A 26 ARG HGy 1.0 . 4.26 103 85 A 9 THR HG2% A 8 GLY H 1.0 . 4.28 104 86 A 2 GLY H A 29 VAL HGx% 1.0 . 4.36 105 86 A 29 VAL HGy% A 2 GLY H 1.0 . 4.36 106 87 A 22 CYS H A 21 VAL HGx% 1.0 . 3.57 107 87 A 21 VAL HGy% A 22 CYS H 1.0 . 3.57 108 88 A 1 CYS H1 A 29 VAL HGx% 1.0 . 3.85 109 88 A 29 VAL HGy% A 1 CYS H1 1.0 . 3.85 110 89 A 19 TRP HZ2 A 6 VAL HGx% 1.0 . 4.51 111 89 A 6 VAL HG21 A 19 TRP HZ2 1.0 . 4.51 112 90 A 19 TRP HD1 A 6 VAL HGx% 1.0 . 4.30 113 90 A 6 VAL HG21 A 19 TRP HD1 1.0 . 4.30 114 91 A 27 TRP HD1 A 26 ARG HBx 1.0 . 3.78 115 91 A 26 ARG HBy A 27 TRP HD1 1.0 . 3.78 116 92 A 10 CYS H A 9 THR HG2% 1.0 . 4.36 117 93 A 9 THR H A 10 CYS HBx 1.0 . 4.33 118 93 A 10 CYS HBy A 9 THR H 1.0 . 4.33 119 94 A 22 CYS H A 4 THR HA 1.0 . 4.25 120 95 A 22 CYS H A 21 VAL HA 1.0 . 2.94 121 96 A 1 CYS H1 A 29 VAL HA 1.0 . 3.14 122 97 A 19 TRP H A 18 SER HA 1.0 . 2.84 123 98 A 18 SER H A 17 CYS HA 1.0 . 2.96 124 99 A 24 HIS HD2 A 24 HIS HA 1.0 . 4.52 125 100 A 4 THR H A 3 GLU HA 1.0 . 3.18 126 101 A 6 VAL H A 7 GLY H 1.0 . 4.05 127 102 A 14 GLY H A 15 CYS H 1.0 . 3.22 128 103 A 27 TRP H A 26 ARG H 1.0 . 3.71 129 104 A 12 THR H A 11 ASN H 1.0 . 4.75 130 105 A 22 CYS H A 23 GLY H 1.0 . 5.18 131 106 A 25 PHE H A 25 PHE HD% 1.0 . 4.32 132 107 A 29 VAL H A 1 CYS H1 1.0 . 3.65 133 108 A 27 TRP H A 28 GLY H 1.0 . 3.56 134 109 A 9 THR H A 8 GLY H 1.0 . 3.41 135 110 A 6 VAL H A 19 TRP HD1 1.0 . 4.89 136 111 A 19 TRP H A 19 TRP HD1 1.0 . 5.35 137 112 A 19 TRP HD1 A 8 GLY H 1.0 . 3.59 138 113 A 26 ARG H A 25 PHE HD% 1.0 . 4.16 139 114 A 27 TRP H A 27 TRP HD1 1.0 . 4.01 140 115 A 24 HIS H A 24 HIS HD2 1.0 . 3.62 141 116 A 1 CYS H1 A 24 HIS HD2 1.0 . 3.88 142 117 A 16 THR H A 23 GLY H 1.0 . 4.10 143 118 A 18 SER H A 19 TRP H 1.0 . 4.21 144 119 A 7 GLY H A 8 GLY H 1.0 . 3.39 145 120 A 1 CYS H1 A 2 GLY H 1.0 . 3.67 146 121 A 3 GLU H A 2 GLY H 1.0 . 3.54 147 122 A 17 CYS HA A 22 CYS HA 1.0 . 4.24 148 123 A 4 THR HA A 21 VAL HA 1.0 . 3.60 149 124 A 12 THR HA A 13 PRO HDy 1.0 . 3.51 150 125 A 12 THR HA A 13 PRO HDx 1.0 . 3.51 151 126 A 20 PRO HA A 19 TRP HA 1.0 . 2.75 152 127 A 11 ASN HA A 11 ASN HBx 1.0 . 3.01 153 127 A 11 ASN HBy A 11 ASN HA 1.0 . 3.01 154 128 A 4 THR HG2% A 4 THR HA 1.0 . 3.44 155 129 A 9 THR HG2% A 9 THR HA 1.0 . 3.68 156 130 A 12 THR HG2% A 12 THR HA 1.0 . 3.27 157 131 A 16 THR HG2% A 16 THR HA 1.0 . 3.22 158 132 A 12 THR HG2% A 13 PRO HDy 1.0 . 3.71 159 133 A 21 VAL HA A 21 VAL HGx% 1.0 . 3.24 160 133 A 21 VAL HGy% A 21 VAL HA 1.0 . 3.24 161 134 A 29 VAL HGy% A 28 GLY HAx 1.0 . 4.07 162 134 A 28 GLY HAx A 29 VAL HGx% 1.0 . 4.07 163 135 A 12 THR HG2% A 13 PRO HDx 1.0 . 3.71 164 136 A 21 VAL HGy% A 18 SER HBx 1.0 . 4.07 165 136 A 18 SER HBx A 21 VAL HGx% 1.0 . 4.07 166 137 A 21 VAL HGy% A 18 SER HBy 1.0 . 4.07 167 137 A 18 SER HBy A 21 VAL HGx% 1.0 . 4.07 168 138 A 20 PRO HDx A 21 VAL HGx% 1.0 . 4.30 169 138 A 21 VAL HGy% A 20 PRO HDx 1.0 . 4.30 170 139 A 26 ARG HBx A 26 ARG HDx 1.0 . 3.94 171 139 A 26 ARG HBy A 26 ARG HDx 1.0 . 3.94 172 139 A 26 ARG HDy A 26 ARG HBx 1.0 . 3.94 173 139 A 26 ARG HBy A 26 ARG HDy 1.0 . 3.94 174 140 A 20 PRO HBy A 6 VAL HGx% 1.0 . 3.94 175 140 A 6 VAL HG21 A 20 PRO HBy 1.0 . 3.94 176 141 A 21 VAL HGy% A 20 PRO HGy 1.0 . 3.93 177 141 A 20 PRO HGy A 21 VAL HGx% 1.0 . 3.93 178 142 A 4 THR HG2% A 21 VAL HGx% 1.0 . 4.43 179 142 A 21 VAL HGy% A 4 THR HG2% 1.0 . 4.43 180 143 A 12 THR HB A 15 CYS HBy 1.0 . 4.30 181 144 A 12 THR HB A 15 CYS HBx 1.0 . 4.30 182 145 A 26 ARG HA A 25 PHE HBx 1.0 . 4.87 183 145 A 25 PHE HBy A 26 ARG HA 1.0 . 4.87 184 146 A 26 ARG HA A 26 ARG HDx 1.0 . 5.06 185 146 A 26 ARG HA A 26 ARG HDy 1.0 . 5.06 186 147 A 29 VAL HA A 29 VAL HGx% 1.0 . 3.41 187 147 A 29 VAL HGy% A 29 VAL HA 1.0 . 3.41 188 148 A 6 VAL HA A 6 VAL HGx% 1.0 . 3.03 189 148 A 6 VAL HA A 6 VAL HG21 1.0 . 3.03 190 149 A 26 ARG HA A 26 ARG HGx 1.0 . 4.00 191 149 A 26 ARG HA A 26 ARG HGy 1.0 . 4.00 192 150 A 20 PRO HDy A 21 VAL HGx% 1.0 . 3.56 193 150 A 21 VAL HGy% A 20 PRO HDy 1.0 . 3.56 194 151 A 21 VAL HGy% A 20 PRO HGx 1.0 . 3.93 195 151 A 20 PRO HGx A 21 VAL HGx% 1.0 . 3.93 196 152 A 20 PRO HA A 19 TRP HBx 1.0 . 3.34 197 152 A 19 TRP HBy A 20 PRO HA 1.0 . 3.34 198 153 A 6 VAL HB A 4 THR HG2% 1.0 . 5.50 199 154 A 21 VAL HB A 4 THR HG2% 1.0 . 4.97 200 155 A 12 THR HG2% A 11 ASN HBx 1.0 . 5.50 201 155 A 12 THR HG2% A 11 ASN HBy 1.0 . 5.50 202 156 A 27 TRP HD1 A 26 ARG HDx 1.0 . 4.25 203 156 A 27 TRP HD1 A 26 ARG HDy 1.0 . 4.25 204 157 A 27 TRP HBx A 24 HIS HD2 1.0 . 5.16 205 158 A 27 TRP H A 26 ARG HDx 1.0 . 4.52 206 158 A 27 TRP H A 26 ARG HDy 1.0 . 4.52 207 159 A 3 GLU H A 1 CYS HBy 1.0 . 4.88 208 160 A 24 HIS HBy A 28 GLY H 1.0 . 4.60 209 161 A 18 SER H A 17 CYS HBx 1.0 . 4.95 210 162 A 18 SER H A 17 CYS HBy 1.0 . 4.95 211 163 A 18 SER H A 22 CYS HBy 1.0 . 5.33 212 164 A 4 THR H A 3 GLU HGx 1.0 . 4.70 213 164 A 3 GLU HGy A 4 THR H 1.0 . 4.70 214 165 A 14 GLY H A 13 PRO HBx 1.0 . 4.59 215 166 A 25 PHE HD% A 26 ARG HBx 1.0 . 4.67 216 166 A 26 ARG HBy A 25 PHE HD% 1.0 . 4.67 217 167 A 27 TRP HE3 A 26 ARG HBx 1.0 . 5.50 218 167 A 26 ARG HBy A 27 TRP HE3 1.0 . 5.50 219 168 A 19 TRP HZ2 A 20 PRO HBy 1.0 . 5.46 220 169 A 19 TRP HD1 A 20 PRO HBy 1.0 . 5.50 221 170 A 25 PHE HD% A 26 ARG HGx 1.0 . 4.58 222 170 A 26 ARG HGy A 25 PHE HD% 1.0 . 4.58 223 171 A 27 TRP HE3 A 29 VAL HGx% 1.0 . 5.50 224 171 A 29 VAL HGy% A 27 TRP HE3 1.0 . 5.50 225 172 A 18 SER H A 21 VAL HGx% 1.0 . 4.66 226 172 A 18 SER H A 21 VAL HGy% 1.0 . 4.66 227 173 A 23 GLY H A 21 VAL HGx% 1.0 . 4.67 228 173 A 21 VAL HGy% A 23 GLY H 1.0 . 4.67 229 174 A 21 VAL HB A 22 CYS H 1.0 . 3.65 230 175 A 19 TRP HD1 A 20 PRO HBx 1.0 . 5.25 231 176 A 19 TRP HZ2 A 20 PRO HBx 1.0 . 5.50 232 177 A 19 TRP HE3 A 20 PRO HBx 1.0 . 5.50 233 178 A 19 TRP HE1 A 20 PRO HBx 1.0 . 4.49 234 179 A 19 TRP HE1 A 20 PRO HBy 1.0 . 5.50 235 180 A 27 TRP HE1 A 26 ARG HBx 1.0 . 4.89 236 180 A 26 ARG HBy A 27 TRP HE1 1.0 . 4.89 237 181 A 27 TRP HE1 A 26 ARG HDx 1.0 . 4.52 238 181 A 27 TRP HE1 A 26 ARG HDy 1.0 . 4.52 239 182 A 19 TRP HE1 A 19 TRP HBx 1.0 . 4.68 240 182 A 19 TRP HBy A 19 TRP HE1 1.0 . 4.68 241 183 A 19 TRP HE1 A 19 TRP HA 1.0 . 5.27 242 184 A 15 CYS HA A 24 HIS HE1 1.0 . 4.24 243 185 A 25 PHE H A 24 HIS HA 1.0 . 3.30 244 186 A 6 VAL H A 6 VAL HGx% 1.0 . 3.89 245 186 A 6 VAL H A 6 VAL HG21 1.0 . 3.89 246 187 A 29 VAL H A 27 TRP HBx 1.0 . 4.70 247 188 A 3 GLU H A 1 CYS HBx 1.0 . 4.88 248 189 A 22 CYS H A 4 THR HG2% 1.0 . 5.04 249 190 A 12 THR HG2% A 15 CYS H 1.0 . 4.95 250 191 A 6 VAL H A 4 THR HG2% 1.0 . 4.76 251 192 A 7 GLY H A 19 TRP HE1 1.0 . 5.15 252 193 A 19 TRP HE1 A 8 GLY H 1.0 . 4.89 253 194 A 18 SER H A 21 VAL H 1.0 . 5.35 254 195 A 9 THR H A 7 GLY H 1.0 . 4.43 255 196 A 9 THR H A 6 VAL H 1.0 . 5.50 256 197 A 19 TRP H A 19 TRP HE3 1.0 . 5.12 257 198 A 24 HIS H A 28 GLY H 1.0 . 4.70 258 199 A 18 SER H A 17 CYS H 1.0 . 4.73 259 200 A 21 VAL HA A 20 PRO HBy 1.0 . 5.05 260 201 A 5 CYS HA A 6 VAL HGx% 1.0 . 4.94 261 201 A 6 VAL HG21 A 5 CYS HA 1.0 . 4.94 262 202 A 4 THR HG2% A 5 CYS HA 1.0 . 4.89 263 203 A 9 THR HG2% A 10 CYS HA 1.0 . 5.12 264 204 A 20 PRO HBy A 21 VAL HGx% 1.0 . 4.72 265 204 A 21 VAL HGy% A 20 PRO HBy 1.0 . 4.72 266 205 A 20 PRO HA A 21 VAL HGx% 1.0 . 4.94 267 205 A 21 VAL HGy% A 20 PRO HA 1.0 . 4.94 268 206 A 27 TRP HBy A 29 VAL HGx% 1.0 . 4.90 269 206 A 29 VAL HGy% A 27 TRP HBy 1.0 . 4.90 270 207 A 27 TRP HBx A 29 VAL HGx% 1.0 . 4.62 271 207 A 29 VAL HGy% A 27 TRP HBx 1.0 . 4.62 272 208 A 6 VAL HA A 20 PRO HBy 1.0 . 4.92 273 209 A 19 TRP HA A 20 PRO HBy 1.0 . 4.61 274 210 A 19 TRP HA A 20 PRO HBx 1.0 . 4.88 275 211 A 26 ARG HA A 25 PHE HD% 1.0 . 4.81 276 212 A 24 HIS HD2 A 23 GLY HAy 1.0 . 4.75 277 213 A 10 CYS H A 9 THR HB 1.0 . 4.58 278 214 A 7 GLY H A 5 CYS HA 1.0 . 4.54 279 215 A 4 THR HA A 21 VAL HGx% 1.0 . 4.11 280 215 A 21 VAL HGy% A 4 THR HA 1.0 . 4.11 281 216 A 20 PRO HA A 6 VAL HGx% 1.0 . 5.31 282 216 A 20 PRO HA A 6 VAL HG21 1.0 . 5.31 283 217 A 4 THR HG2% A 20 PRO HBy 1.0 . 5.50 284 218 A 15 CYS H A 12 THR HA 1.0 . 4.90 285 219 A 18 SER H A 22 CYS HBx 1.0 . 5.33 286 220 A 4 THR HB A 6 VAL HGx% 1.0 . 4.93 287 220 A 4 THR HB A 6 VAL HG21 1.0 . 4.93 288 221 A 21 VAL HA A 6 VAL HGx% 1.0 . 5.50 289 221 A 6 VAL HG21 A 21 VAL HA 1.0 . 5.50 290 222 A 21 VAL H A 19 TRP HA 1.0 . 3.58 291 223 A 6 VAL HB A 8 GLY H 1.0 . 5.46 292 224 A 18 SER H A 23 GLY H 1.0 . 4.16 293 225 A 29 VAL H A 24 HIS HD2 1.0 . 4.42 294 226 A 27 TRP HD1 A 28 GLY H 1.0 . 5.49 295 227 A 27 TRP HE3 A 28 GLY H 1.0 . 4.52 296 228 A 27 TRP H A 24 HIS HD2 1.0 . 5.17 297 229 A 28 GLY H A 29 VAL HGx% 1.0 . 4.53 298 229 A 29 VAL HGy% A 28 GLY H 1.0 . 4.53 299 230 A 29 VAL HGy% A 28 GLY HAy 1.0 . 4.07 300 230 A 28 GLY HAy A 29 VAL HGx% 1.0 . 4.07 301 231 A 27 TRP HA A 27 TRP HE3 1.0 . 5.50 302 232 A 27 TRP HA A 27 TRP HD1 1.0 . 4.29 303 233 A 24 HIS HD2 A 23 GLY HAx 1.0 . 4.75 304 234 A 9 THR H A 5 CYS HA 1.0 . 4.77 305 235 A 15 CYS HA A 24 HIS HD2 1.0 . 5.34 306 236 A 24 HIS HBy A 29 VAL HGx% 1.0 . 5.50 307 236 A 24 HIS HBy A 29 VAL HGy% 1.0 . 5.50 308 237 A 25 PHE HD% A 25 PHE HA 1.0 . 3.22 309 238 A 4 THR HG2% A 3 GLU HA 1.0 . 4.18 310 239 A 6 VAL HA A 5 CYS HA 1.0 . 4.87 311 240 A 1 CYS H1 A 1 CYS HBy 1.0 . 3.20 312 240 A 1 CYS H1 A 1 CYS HBx 1.0 . 3.20 313 241 A 1 CYS H1 A 23 GLY HAx 1.0 . 3.76 314 241 A 1 CYS H1 A 23 GLY HAy 1.0 . 3.76 315 242 A 1 CYS HA A 2 GLY HAx 1.0 . 4.68 316 242 A 1 CYS HA A 2 GLY HAy 1.0 . 4.68 317 243 A 1 CYS HBx A 2 GLY HAx 1.0 . 4.53 318 243 A 1 CYS HBy A 2 GLY HAx 1.0 . 4.53 319 243 A 2 GLY HAy A 1 CYS HBy 1.0 . 4.53 320 243 A 1 CYS HBx A 2 GLY HAy 1.0 . 4.53 321 244 A 3 GLU H A 1 CYS HBy 1.0 . 4.13 322 244 A 3 GLU H A 1 CYS HBx 1.0 . 4.13 323 245 A 1 CYS HBx A 3 GLU HBx 1.0 . 4.46 324 245 A 1 CYS HBy A 3 GLU HBx 1.0 . 4.46 325 245 A 3 GLU HBy A 1 CYS HBy 1.0 . 4.46 326 245 A 1 CYS HBx A 3 GLU HBy 1.0 . 4.46 327 246 A 1 CYS HBx A 3 GLU HGx 1.0 . 4.25 328 246 A 1 CYS HBy A 3 GLU HGx 1.0 . 4.25 329 246 A 3 GLU HGy A 1 CYS HBy 1.0 . 4.25 330 246 A 3 GLU HGy A 1 CYS HBx 1.0 . 4.25 331 247 A 1 CYS HBx A 23 GLY HAx 1.0 . 4.44 332 247 A 23 GLY HAy A 1 CYS HBy 1.0 . 4.44 333 247 A 1 CYS HBx A 23 GLY HAy 1.0 . 4.44 334 247 A 1 CYS HBy A 23 GLY HAx 1.0 . 4.44 335 248 A 3 GLU H A 3 GLU HBx 1.0 . 3.52 336 248 A 3 GLU H A 3 GLU HBy 1.0 . 3.52 337 249 A 3 GLU H A 22 CYS HBx 1.0 . 4.72 338 249 A 3 GLU H A 22 CYS HBy 1.0 . 4.72 339 250 A 4 THR H A 3 GLU HBx 1.0 . 3.60 340 250 A 4 THR H A 3 GLU HBy 1.0 . 3.60 341 251 A 4 THR HG2% A 3 GLU HBx 1.0 . 5.34 342 251 A 4 THR HG2% A 3 GLU HBy 1.0 . 5.34 343 252 A 3 GLU HGx A 22 CYS HBx 1.0 . 4.41 344 252 A 3 GLU HGy A 22 CYS HBx 1.0 . 4.41 345 252 A 22 CYS HBy A 3 GLU HGx 1.0 . 4.41 346 252 A 3 GLU HGy A 22 CYS HBy 1.0 . 4.41 347 253 A 4 THR HG2% A 22 CYS HBx 1.0 . 4.78 348 253 A 4 THR HG2% A 22 CYS HBy 1.0 . 4.78 349 254 A 5 CYS H A 5 CYS HBy 1.0 . 3.16 350 254 A 5 CYS H A 5 CYS HBx 1.0 . 3.16 351 255 A 10 CYS H A 5 CYS HBy 1.0 . 4.91 352 255 A 10 CYS H A 5 CYS HBx 1.0 . 4.91 353 256 A 6 VAL HGx% A 7 GLY HAx 1.0 . 4.11 354 256 A 6 VAL HG21 A 7 GLY HAx 1.0 . 4.11 355 256 A 7 GLY HAy A 6 VAL HGx% 1.0 . 4.11 356 256 A 6 VAL HG21 A 7 GLY HAy 1.0 . 4.11 357 257 A 7 GLY H A 8 GLY HAy 1.0 . 4.82 358 257 A 7 GLY H A 8 GLY HAx 1.0 . 4.82 359 258 A 8 GLY H A 7 GLY HAx 1.0 . 3.11 360 258 A 8 GLY H A 7 GLY HAy 1.0 . 3.11 361 259 A 19 TRP HD1 A 8 GLY HAy 1.0 . 3.80 362 259 A 19 TRP HD1 A 8 GLY HAx 1.0 . 3.80 363 260 A 11 ASN HD2x A 11 ASN HA 1.0 . 4.32 364 260 A 11 ASN HD2y A 11 ASN HA 1.0 . 4.32 365 261 A 11 ASN HD2y A 11 ASN HBx 1.0 . 3.09 366 261 A 11 ASN HBy A 11 ASN HD2x 1.0 . 3.09 367 261 A 11 ASN HD2x A 11 ASN HBx 1.0 . 3.09 368 261 A 11 ASN HBy A 11 ASN HD2y 1.0 . 3.09 369 262 A 12 THR H A 15 CYS HBx 1.0 . 4.28 370 262 A 12 THR H A 15 CYS HBy 1.0 . 4.28 371 263 A 12 THR HA A 13 PRO HDx 1.0 . 2.71 372 263 A 12 THR HA A 13 PRO HDy 1.0 . 2.71 373 264 A 12 THR HB A 13 PRO HDx 1.0 . 3.63 374 264 A 12 THR HB A 13 PRO HDy 1.0 . 3.63 375 265 A 12 THR HB A 15 CYS HBx 1.0 . 3.45 376 265 A 12 THR HB A 15 CYS HBy 1.0 . 3.45 377 266 A 12 THR HG2% A 13 PRO HDx 1.0 . 3.10 378 266 A 12 THR HG2% A 13 PRO HDy 1.0 . 3.10 379 267 A 12 THR HG2% A 15 CYS HBx 1.0 . 4.48 380 267 A 12 THR HG2% A 15 CYS HBy 1.0 . 4.48 381 268 A 13 PRO HA A 14 GLY HAx 1.0 . 4.45 382 268 A 13 PRO HA A 14 GLY HAy 1.0 . 4.45 383 269 A 14 GLY H A 13 PRO HBx 1.0 . 3.98 384 269 A 14 GLY H A 13 PRO HBy 1.0 . 3.98 385 270 A 14 GLY H A 13 PRO HDx 1.0 . 4.91 386 270 A 14 GLY H A 13 PRO HDy 1.0 . 4.91 387 271 A 15 CYS H A 15 CYS HBx 1.0 . 3.23 388 271 A 15 CYS H A 15 CYS HBy 1.0 . 3.23 389 272 A 16 THR H A 15 CYS HBx 1.0 . 4.24 390 272 A 16 THR H A 15 CYS HBy 1.0 . 4.24 391 273 A 23 GLY H A 15 CYS HBx 1.0 . 5.34 392 273 A 23 GLY H A 15 CYS HBy 1.0 . 5.34 393 274 A 16 THR HB A 17 CYS HBx 1.0 . 4.65 394 274 A 16 THR HB A 17 CYS HBy 1.0 . 4.65 395 275 A 17 CYS HA A 18 SER HBx 1.0 . 4.43 396 275 A 17 CYS HA A 18 SER HBy 1.0 . 4.43 397 276 A 18 SER H A 17 CYS HBx 1.0 . 4.28 398 276 A 18 SER H A 17 CYS HBy 1.0 . 4.28 399 277 A 23 GLY H A 17 CYS HBx 1.0 . 5.34 400 277 A 23 GLY H A 17 CYS HBy 1.0 . 5.34 401 278 A 18 SER H A 18 SER HBx 1.0 . 3.51 402 278 A 18 SER H A 18 SER HBy 1.0 . 3.51 403 279 A 21 VAL HB A 18 SER HBx 1.0 . 4.44 404 279 A 21 VAL HB A 18 SER HBy 1.0 . 4.44 405 280 A 18 SER HBy A 21 VAL HGx% 1.0 . 3.57 406 280 A 18 SER HBx A 21 VAL HGx% 1.0 . 3.57 407 280 A 21 VAL HGy% A 18 SER HBx 1.0 . 3.57 408 280 A 21 VAL HGy% A 18 SER HBy 1.0 . 3.57 409 281 A 23 GLY H A 18 SER HBx 1.0 . 3.86 410 281 A 23 GLY H A 18 SER HBy 1.0 . 3.86 411 282 A 21 VAL H A 20 PRO HGy 1.0 . 4.59 412 282 A 21 VAL H A 20 PRO HGx 1.0 . 4.59 413 283 A 20 PRO HGy A 21 VAL HGx% 1.0 . 3.17 414 283 A 20 PRO HGx A 21 VAL HGx% 1.0 . 3.17 415 283 A 21 VAL HGy% A 20 PRO HGy 1.0 . 3.17 416 283 A 21 VAL HGy% A 20 PRO HGx 1.0 . 3.17 417 284 A 21 VAL HA A 22 CYS HBx 1.0 . 4.49 418 284 A 21 VAL HA A 22 CYS HBy 1.0 . 4.49 419 285 A 24 HIS H A 23 GLY HAx 1.0 . 3.05 420 285 A 24 HIS H A 23 GLY HAy 1.0 . 3.05 421 286 A 24 HIS HA A 23 GLY HAx 1.0 . 4.44 422 286 A 24 HIS HA A 23 GLY HAy 1.0 . 4.44 423 287 A 24 HIS HD2 A 23 GLY HAx 1.0 . 4.09 424 287 A 24 HIS HD2 A 23 GLY HAy 1.0 . 4.09 425 288 A 24 HIS HD2 A 28 GLY HAx 1.0 . 4.12 426 288 A 24 HIS HD2 A 28 GLY HAy 1.0 . 4.12 427 289 A 27 TRP HE3 A 28 GLY HAx 1.0 . 5.34 428 289 A 27 TRP HE3 A 28 GLY HAy 1.0 . 5.34 429 290 A 29 VAL H A 28 GLY HAx 1.0 . 2.96 430 290 A 29 VAL H A 28 GLY HAy 1.0 . 2.96 431 291 A 28 GLY HAy A 29 VAL HGx% 1.0 . 3.55 432 291 A 28 GLY HAx A 29 VAL HGx% 1.0 . 3.55 433 291 A 29 VAL HGy% A 28 GLY HAx 1.0 . 3.55 434 291 A 29 VAL HGy% A 28 GLY HAy 1.0 . 3.55 stop_ save_