data_nef_c17699_2le7 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_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 532 LEU start . . 2 A 533 VAL middle . . 3 A 534 ARG middle . . 4 A 535 VAL middle . . 5 A 536 ALA middle . . 6 A 537 ARG middle . . 7 A 538 LYS middle . . 8 A 539 LEU middle . . 9 A 540 ASP middle . . 10 A 541 ARG middle . . 11 A 542 TYR middle . . 12 A 543 SER middle . . 13 A 544 GLU middle . . 14 A 545 TYR middle . . 15 A 546 GLY middle . false 16 A 547 ALA middle . . 17 A 548 ALA middle . . 18 A 549 VAL middle . . 19 A 550 LEU middle . . 20 A 551 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 532 LEU H1 H 1 7.990 0.020 A 532 LEU HA H 1 4.038 0.020 A 532 LEU HDx% H 1 0.904 0.020 A 532 LEU HDy% H 1 0.949 0.020 A 532 LEU HG H 1 1.506 0.020 A 533 VAL H H 1 8.690 0.020 A 533 VAL HA H 1 4.157 0.020 A 533 VAL HB H 1 2.111 0.020 A 533 VAL HGx% H 1 0.965 0.020 A 533 VAL HGy% H 1 0.996 0.020 A 534 ARG H H 1 8.630 0.020 A 534 ARG HA H 1 4.346 0.020 A 534 ARG HB3 H 1 1.940 0.020 A 534 ARG HD3 H 1 3.216 0.020 A 534 ARG HE H 1 7.426 0.020 A 535 VAL H H 1 8.244 0.020 A 535 VAL HA H 1 4.070 0.020 A 535 VAL HB H 1 2.116 0.020 A 535 VAL HG2% H 1 0.970 0.020 A 536 ALA H H 1 8.435 0.020 A 536 ALA HA H 1 4.264 0.020 A 536 ALA HB% H 1 1.426 0.020 A 537 ARG H H 1 8.264 0.020 A 537 ARG HA H 1 4.347 0.020 A 537 ARG HBx H 1 1.843 0.020 A 537 ARG HBy H 1 1.944 0.020 A 537 ARG HD3 H 1 3.227 0.020 A 537 ARG HE H 1 7.598 0.020 A 537 ARG HG2 H 1 1.700 0.020 A 538 LYS H H 1 8.377 0.020 A 538 LYS HA H 1 4.349 0.020 A 538 LYS HBx H 1 1.716 0.020 A 538 LYS HBy H 1 1.792 0.020 A 538 LYS HGx H 1 1.437 0.020 A 538 LYS HGy H 1 1.532 0.020 A 539 LEU H H 1 8.136 0.020 A 539 LEU HA H 1 4.188 0.020 A 539 LEU HB3 H 1 1.505 0.020 A 539 LEU HDx% H 1 0.790 0.020 A 539 LEU HDy% H 1 0.869 0.020 A 539 LEU HG H 1 1.317 0.020 A 540 ASP H H 1 8.037 0.020 A 540 ASP HA H 1 4.433 0.020 A 540 ASP HBx H 1 2.750 0.020 A 540 ASP HBy H 1 2.779 0.020 A 541 ARG H H 1 8.127 0.020 A 541 ARG HA H 1 4.166 0.020 A 541 ARG HBx H 1 1.638 0.020 A 541 ARG HBy H 1 1.737 0.020 A 541 ARG HDx H 1 3.100 0.020 A 541 ARG HDy H 1 3.143 0.020 A 541 ARG HE H 1 7.309 0.020 A 541 ARG HGx H 1 1.362 0.020 A 541 ARG HGy H 1 1.412 0.020 A 542 TYR H H 1 8.032 0.020 A 542 TYR HA H 1 4.532 0.020 A 542 TYR HBx H 1 3.043 0.020 A 542 TYR HBy H 1 3.224 0.020 A 542 TYR HD1 H 1 7.069 0.020 A 542 TYR HE1 H 1 6.818 0.020 A 543 SER H H 1 8.329 0.020 A 543 SER HA H 1 4.163 0.020 A 543 SER HBx H 1 3.926 0.020 A 543 SER HBy H 1 4.005 0.020 A 544 GLU H H 1 8.265 0.020 A 544 GLU HA H 1 4.132 0.020 A 544 GLU HBx H 1 2.033 0.020 A 544 GLU HBy H 1 2.088 0.020 A 544 GLU HGx H 1 2.200 0.020 A 544 GLU HGy H 1 2.325 0.020 A 545 TYR H H 1 7.910 0.020 A 545 TYR HA H 1 4.414 0.020 A 545 TYR HBx H 1 3.129 0.020 A 545 TYR HBy H 1 3.200 0.020 A 545 TYR HD2 H 1 7.109 0.020 A 545 TYR HE2 H 1 6.800 0.020 A 546 GLY H H 1 8.464 0.020 A 546 GLY HA2 H 1 3.745 0.020 A 546 GLY HA3 H 1 3.745 0.020 A 547 ALA H H 1 8.457 0.020 A 547 ALA HA H 1 4.076 0.020 A 547 ALA HB% H 1 1.597 0.020 A 548 ALA H H 1 7.873 0.020 A 548 ALA HA H 1 4.152 0.020 A 548 ALA HB% H 1 1.535 0.020 A 549 VAL H H 1 7.678 0.020 A 549 VAL HA H 1 3.831 0.020 A 549 VAL HB H 1 2.091 0.020 A 549 VAL HGx% H 1 0.902 0.020 A 549 VAL HGy% H 1 0.946 0.020 A 550 LEU H H 1 7.737 0.020 A 550 LEU HA H 1 4.016 0.020 A 550 LEU HB3 H 1 1.439 0.020 A 550 LEU HDx% H 1 0.715 0.020 A 550 LEU HDy% H 1 0.769 0.020 A 550 LEU HG H 1 1.357 0.020 A 551 PHE H H 1 7.812 0.020 A 551 PHE HA H 1 4.728 0.020 A 551 PHE HBx H 1 3.019 0.020 A 551 PHE HBy H 1 3.380 0.020 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 533 VAL H A 533 VAL HGy% 1.0 . 4.79 2 2 A 534 ARG H A 536 ALA H 1.0 . 5.50 3 3 A 534 ARG H A 535 VAL H 1.0 . 3.72 4 4 A 534 ARG H A 533 VAL HA 1.0 . 2.85 5 5 A 534 ARG H A 533 VAL HB 1.0 . 3.75 6 6 A 534 ARG H A 536 ALA HB% 1.0 . 5.50 7 7 A 534 ARG H A 533 VAL HGx% 1.0 . 3.16 8 8 A 547 ALA H A 548 ALA H 1.0 . 2.84 9 9 A 542 TYR HA A 546 GLY H 1.0 . 4.19 10 10 A 546 GLY H A 546 GLY HA2 1.0 . 2.47 11 10 A 546 GLY H A 546 GLY HA3 1.0 . 2.47 12 11 A 546 GLY H A 545 TYR HBy 1.0 . 3.13 13 12 A 546 GLY H A 542 TYR HBy 1.0 . 4.55 14 13 A 546 GLY H A 550 LEU HDx% 1.0 . 4.58 15 14 A 546 GLY H A 542 TYR H 1.0 . 4.91 16 15 A 536 ALA H A 540 ASP HBy 1.0 . 5.50 17 16 A 538 LYS H A 541 ARG H 1.0 . 5.50 18 17 A 542 TYR HBy A 538 LYS H 1.0 . 5.50 19 18 A 538 LYS H A 540 ASP HBx 1.0 . 4.09 20 19 A 540 ASP H A 543 SER H 1.0 . 3.74 21 20 A 542 TYR H A 543 SER H 1.0 . 3.87 22 21 A 543 SER H A 545 TYR H 1.0 . 4.41 23 22 A 543 SER H A 542 TYR HDy 1.0 . 3.64 24 23 A 543 SER H A 542 TYR HEy 1.0 . 4.73 25 24 A 543 SER H A 543 SER HBy 1.0 . 3.38 26 25 A 543 SER H A 543 SER HBx 1.0 . 3.40 27 26 A 542 TYR HBy A 543 SER H 1.0 . 3.74 28 27 A 540 ASP HBx A 543 SER H 1.0 . 5.10 29 28 A 543 SER H A 544 GLU HGx 1.0 . 5.02 30 29 A 543 SER H A 544 GLU HGy 1.0 . 5.43 31 30 A 542 TYR H A 544 GLU H 1.0 . 4.59 32 31 A 542 TYR HA A 544 GLU H 1.0 . 4.30 33 32 A 543 SER HBy A 544 GLU H 1.0 . 4.06 34 33 A 543 SER HBx A 544 GLU H 1.0 . 3.94 35 34 A 540 ASP HBx A 537 ARG H 1.0 . 4.00 36 35 A 544 GLU HGx A 544 GLU H 1.0 . 3.34 37 36 A 544 GLU HGy A 544 GLU H 1.0 . 3.36 38 37 A 544 GLU H A 545 TYR HE2 1.0 . 5.05 39 38 A 541 ARG H A 543 SER H 1.0 . 3.99 40 39 A 541 ARG H A 544 GLU H 1.0 . 5.38 41 40 A 541 ARG H A 540 ASP H 1.0 . 3.62 42 41 A 542 TYR H A 541 ARG H 1.0 . 3.74 43 42 A 542 TYR HDy A 539 LEU H 1.0 . 4.25 44 43 A 542 TYR HA A 541 ARG H 1.0 . 4.95 45 44 A 541 ARG H A 540 ASP HBx 1.0 . 3.08 46 45 A 541 ARG H A 541 ARG HBx 1.0 . 3.28 47 46 A 542 TYR H A 545 TYR H 1.0 . 5.11 48 47 A 542 TYR H A 537 ARG HA 1.0 . 3.90 49 48 A 540 ASP H A 538 LYS HA 1.0 . 4.31 50 49 A 540 ASP H A 543 SER HBy 1.0 . 4.53 51 50 A 540 ASP H A 543 SER HBx 1.0 . 4.34 52 51 A 542 TYR HBy A 542 TYR H 1.0 . 3.15 53 52 A 540 ASP HBx A 540 ASP H 1.0 . 2.75 54 53 A 542 TYR H A 541 ARG HBx 1.0 . 3.51 55 54 A 546 GLY H A 545 TYR H 1.0 . 3.32 56 55 A 547 ALA H A 545 TYR H 1.0 . 3.77 57 56 A 545 TYR H A 544 GLU H 1.0 . 3.39 58 57 A 542 TYR HA A 545 TYR H 1.0 . 3.94 59 58 A 545 TYR H A 544 GLU HA 1.0 . 3.55 60 59 A 545 TYR H A 543 SER HBy 1.0 . 5.29 61 60 A 545 TYR H A 543 SER HBx 1.0 . 5.50 62 61 A 545 TYR H A 546 GLY HA2 1.0 . 4.43 63 61 A 546 GLY HA3 A 545 TYR H 1.0 . 4.43 64 62 A 545 TYR HBy A 545 TYR H 1.0 . 3.80 65 63 A 545 TYR H A 544 GLU HGx 1.0 . 4.07 66 64 A 545 TYR H A 544 GLU HGy 1.0 . 3.98 67 65 A 548 ALA H A 549 VAL H 1.0 . 3.18 68 66 A 548 ALA H A 545 TYR HA 1.0 . 3.96 69 67 A 548 ALA H A 546 GLY HA2 1.0 . 3.80 70 67 A 548 ALA H A 546 GLY HA3 1.0 . 3.80 71 68 A 548 ALA H A 549 VAL HB 1.0 . 4.13 72 69 A 548 ALA H A 549 VAL HGy% 1.0 . 3.60 73 70 A 547 ALA H A 551 PHE H 1.0 . 4.93 74 71 A 551 PHE H A 551 PHE HBy 1.0 . 3.16 75 72 A 549 VAL HB A 551 PHE H 1.0 . 5.03 76 73 A 550 LEU HDx% A 551 PHE H 1.0 . 4.44 77 74 A 551 PHE H A 549 VAL HA 1.0 . 5.07 78 75 A 551 PHE H A 551 PHE HBx 1.0 . 3.10 79 76 A 551 PHE H A 550 LEU HG 1.0 . 3.52 80 77 A 551 PHE H A 550 LEU HDy% 1.0 . 4.39 81 78 A 547 ALA H A 550 LEU H 1.0 . 4.83 82 79 A 550 LEU H A 551 PHE HA 1.0 . 4.91 83 80 A 550 LEU H A 548 ALA HA 1.0 . 4.38 84 81 A 549 VAL HA A 550 LEU H 1.0 . 3.48 85 82 A 550 LEU H A 546 GLY HA2 1.0 . 4.58 86 82 A 546 GLY HA3 A 550 LEU H 1.0 . 4.58 87 83 A 551 PHE HBy A 550 LEU H 1.0 . 4.84 88 84 A 551 PHE HBx A 550 LEU H 1.0 . 4.87 89 85 A 549 VAL HB A 550 LEU H 1.0 . 3.14 90 86 A 550 LEU HDx% A 550 LEU H 1.0 . 3.97 91 87 A 547 ALA H A 549 VAL H 1.0 . 3.97 92 88 A 549 VAL H A 545 TYR HA 1.0 . 4.62 93 89 A 549 VAL H A 548 ALA HA 1.0 . 3.34 94 90 A 549 VAL H A 550 LEU HA 1.0 . 4.72 95 91 A 549 VAL H A 546 GLY HA2 1.0 . 3.97 96 91 A 546 GLY HA3 A 549 VAL H 1.0 . 3.97 97 92 A 549 VAL H A 550 LEU HG 1.0 . 4.02 98 93 A 549 VAL H A 549 VAL HGy% 1.0 . 2.74 99 94 A 550 LEU HDx% A 549 VAL H 1.0 . 4.92 100 95 A 549 VAL H A 550 LEU HDy% 1.0 . 4.58 101 96 A 537 ARG HA A 537 ARG HE 1.0 . 5.50 102 97 A 541 ARG HBy A 541 ARG HE 1.0 . 4.72 103 98 A 546 GLY H A 545 TYR HD2 1.0 . 3.92 104 99 A 542 TYR H A 545 TYR HD2 1.0 . 4.60 105 100 A 545 TYR H A 545 TYR HD2 1.0 . 3.24 106 101 A 542 TYR HA A 545 TYR HD2 1.0 . 3.51 107 102 A 545 TYR HD2 A 541 ARG HA 1.0 . 4.17 108 103 A 544 GLU HGx A 545 TYR HD2 1.0 . 4.92 109 104 A 544 GLU HGy A 545 TYR HD2 1.0 . 4.66 110 105 A 547 ALA H A 542 TYR HDy 1.0 . 5.50 111 106 A 541 ARG H A 542 TYR HDy 1.0 . 4.06 112 107 A 545 TYR H A 542 TYR HDy 1.0 . 5.50 113 108 A 542 TYR HDy A 538 LYS HA 1.0 . 3.21 114 109 A 542 TYR HDy A 543 SER HA 1.0 . 3.85 115 110 A 542 TYR HDy A 543 SER HBx 1.0 . 5.20 116 111 A 540 ASP HBy A 542 TYR HDy 1.0 . 5.35 117 112 A 540 ASP H A 542 TYR HDy 1.0 . 3.41 118 113 A 542 TYR H A 542 TYR HDy 1.0 . 3.61 119 114 A 542 TYR HBy A 542 TYR HDy 1.0 . 2.85 120 115 A 541 ARG H A 542 TYR HEy 1.0 . 5.50 121 116 A 541 ARG H A 545 TYR HE2 1.0 . 5.50 122 117 A 540 ASP H A 542 TYR HEy 1.0 . 4.08 123 118 A 542 TYR HEy A 538 LYS HA 1.0 . 3.60 124 119 A 545 TYR HE2 A 541 ARG HA 1.0 . 4.19 125 120 A 542 TYR HEy A 543 SER HA 1.0 . 4.66 126 121 A 540 ASP HBx A 542 TYR HEy 1.0 . 5.50 127 122 A 545 TYR H A 545 TYR HE2 1.0 . 4.95 128 123 A 547 ALA H A 545 TYR HA 1.0 . 5.50 129 124 A 545 TYR HA A 545 TYR HD2 1.0 . 4.43 130 125 A 536 ALA H A 534 ARG HA 1.0 . 4.66 131 126 A 536 ALA H A 537 ARG HA 1.0 . 5.15 132 127 A 540 ASP HBy A 537 ARG HA 1.0 . 5.50 133 128 A 536 ALA HB% A 537 ARG HA 1.0 . 5.16 134 129 A 533 VAL HGx% A 536 ALA HA 1.0 . 4.68 135 130 A 547 ALA H A 543 SER HA 1.0 . 3.94 136 131 A 542 TYR HA A 541 ARG HA 1.0 . 5.19 137 132 A 542 TYR HA A 543 SER HA 1.0 . 5.50 138 133 A 543 SER HA A 546 GLY HA2 1.0 . 5.50 139 133 A 546 GLY HA3 A 543 SER HA 1.0 . 5.50 140 134 A 544 GLU HGx A 541 ARG HA 1.0 . 5.00 141 135 A 544 GLU HGy A 541 ARG HA 1.0 . 4.72 142 136 A 533 VAL HA A 533 VAL HGx% 1.0 . 3.05 143 137 A 547 ALA H A 544 GLU HA 1.0 . 4.55 144 138 A 550 LEU H A 547 ALA HA 1.0 . 4.53 145 139 A 547 ALA HA A 546 GLY HA2 1.0 . 5.50 146 139 A 546 GLY HA3 A 547 ALA HA 1.0 . 5.50 147 140 A 550 LEU HG A 547 ALA HA 1.0 . 4.71 148 141 A 550 LEU HDx% A 547 ALA HA 1.0 . 4.82 149 142 A 534 ARG HA A 535 VAL HA 1.0 . 4.86 150 143 A 536 ALA HA A 535 VAL HA 1.0 . 4.68 151 144 A 551 PHE HBx A 547 ALA HA 1.0 . 5.50 152 145 A 536 ALA HB% A 535 VAL HA 1.0 . 4.83 153 146 A 547 ALA HA A 550 LEU HBx 1.0 . 5.23 154 147 A 543 SER HBy A 544 GLU HBy 1.0 . 4.08 155 148 A 543 SER HBy A 547 ALA HB% 1.0 . 4.63 156 149 A 550 LEU HG A 550 LEU HA 1.0 . 3.58 157 150 A 550 LEU HDy% A 550 LEU HA 1.0 . 2.91 158 151 A 543 SER HBy A 540 ASP HA 1.0 . 5.50 159 152 A 543 SER HBx A 540 ASP HA 1.0 . 4.91 160 153 A 548 ALA H A 549 VAL HA 1.0 . 4.64 161 154 A 549 VAL HA A 548 ALA HA 1.0 . 4.54 162 155 A 549 VAL HA A 550 LEU HA 1.0 . 4.53 163 156 A 549 VAL HA A 550 LEU HG 1.0 . 4.99 164 157 A 545 TYR HA A 546 GLY HA2 1.0 . 4.56 165 157 A 546 GLY HA3 A 545 TYR HA 1.0 . 4.56 166 158 A 551 PHE HBy A 550 LEU HG 1.0 . 5.50 167 159 A 543 SER H A 542 TYR HBx 1.0 . 4.49 168 160 A 541 ARG H A 542 TYR HBx 1.0 . 5.50 169 161 A 542 TYR H A 542 TYR HBx 1.0 . 3.43 170 162 A 542 TYR HA A 542 TYR HBx 1.0 . 2.95 171 163 A 545 TYR HBy A 546 GLY HA2 1.0 . 4.12 172 163 A 546 GLY HA3 A 545 TYR HBy 1.0 . 4.12 173 164 A 542 TYR H A 545 TYR HBx 1.0 . 4.81 174 165 A 543 SER H A 545 TYR HBx 1.0 . 5.33 175 166 A 546 GLY H A 545 TYR HBx 1.0 . 3.26 176 167 A 544 GLU H A 545 TYR HBx 1.0 . 4.37 177 168 A 545 TYR H A 545 TYR HBx 1.0 . 3.06 178 169 A 545 TYR HD2 A 545 TYR HBx 1.0 . 2.86 179 170 A 542 TYR HA A 545 TYR HBx 1.0 . 3.60 180 171 A 545 TYR HBx A 546 GLY HA2 1.0 . 3.72 181 171 A 546 GLY HA3 A 545 TYR HBx 1.0 . 3.72 182 172 A 542 TYR HBy A 541 ARG H 1.0 . 4.67 183 173 A 542 TYR HBy A 545 TYR H 1.0 . 5.16 184 174 A 547 ALA H A 551 PHE HBx 1.0 . 5.50 185 175 A 551 PHE HBx A 551 PHE HA 1.0 . 2.89 186 176 A 551 PHE HBx A 550 LEU HBx 1.0 . 4.01 187 177 A 536 ALA HB% A 540 ASP HBx 1.0 . 4.12 188 178 A 540 ASP HBy A 541 ARG HA 1.0 . 4.35 189 179 A 544 GLU HGx A 545 TYR HA 1.0 . 5.50 190 180 A 544 GLU HGx A 544 GLU HA 1.0 . 3.86 191 181 A 546 GLY H A 544 GLU HGy 1.0 . 5.20 192 182 A 544 GLU HGy A 545 TYR HA 1.0 . 4.64 193 183 A 544 GLU HGy A 544 GLU HA 1.0 . 3.76 194 184 A 533 VAL HB A 536 ALA HA 1.0 . 5.50 195 185 A 536 ALA HA A 535 VAL HB 1.0 . 5.50 196 186 A 536 ALA H A 533 VAL HB 1.0 . 3.30 197 187 A 533 VAL HB A 537 ARG HA 1.0 . 3.59 198 188 A 549 VAL H A 549 VAL HB 1.0 . 2.72 199 189 A 549 VAL HB A 546 GLY HA2 1.0 . 3.55 200 189 A 546 GLY HA3 A 549 VAL HB 1.0 . 3.55 201 190 A 549 VAL HB A 550 LEU HG 1.0 . 4.59 202 191 A 545 TYR HA A 549 VAL HB 1.0 . 4.74 203 192 A 545 TYR H A 544 GLU HBx 1.0 . 4.12 204 193 A 545 TYR HA A 544 GLU HBx 1.0 . 4.82 205 194 A 545 TYR HD2 A 544 GLU HBx 1.0 . 5.50 206 195 A 545 TYR HE2 A 541 ARG HBy 1.0 . 3.68 207 196 A 545 TYR HE2 A 541 ARG HBx 1.0 . 4.33 208 197 A 540 ASP HBy A 541 ARG HBx 1.0 . 3.98 209 198 A 547 ALA H A 547 ALA HB% 1.0 . 2.65 210 199 A 544 GLU H A 547 ALA HB% 1.0 . 3.81 211 200 A 548 ALA H A 547 ALA HB% 1.0 . 3.30 212 201 A 549 VAL H A 547 ALA HB% 1.0 . 4.80 213 202 A 542 TYR HEy A 547 ALA HB% 1.0 . 5.50 214 203 A 547 ALA HB% A 546 GLY HA2 1.0 . 4.28 215 203 A 546 GLY HA3 A 547 ALA HB% 1.0 . 4.28 216 204 A 551 PHE HBy A 547 ALA HB% 1.0 . 4.51 217 205 A 551 PHE HBx A 547 ALA HB% 1.0 . 4.09 218 206 A 550 LEU HDx% A 547 ALA HB% 1.0 . 5.33 219 207 A 548 ALA H A 548 ALA HB% 1.0 . 2.64 220 208 A 549 VAL H A 548 ALA HB% 1.0 . 3.31 221 209 A 549 VAL HA A 548 ALA HB% 1.0 . 4.24 222 210 A 548 ALA HB% A 546 GLY HA2 1.0 . 5.24 223 210 A 546 GLY HA3 A 548 ALA HB% 1.0 . 5.24 224 211 A 549 VAL HGy% A 548 ALA HB% 1.0 . 2.90 225 212 A 544 GLU H A 548 ALA HB% 1.0 . 4.98 226 213 A 536 ALA HB% A 540 ASP HBy 1.0 . 4.12 227 214 A 536 ALA HB% A 537 ARG H 1.0 . 3.37 228 215 A 536 ALA HB% A 533 VAL HGx% 1.0 . 3.75 229 216 A 550 LEU HG A 550 LEU H 1.0 . 3.09 230 217 A 533 VAL HGy% A 534 ARG H 1.0 . 4.13 231 218 A 542 TYR HBx A 532 LEU HDy% 1.0 . 4.49 232 219 A 541 ARG H A 532 LEU HDy% 1.0 . 5.50 233 220 A 542 TYR H A 532 LEU HDy% 1.0 . 4.09 234 221 A 545 TYR HE2 A 532 LEU HDy% 1.0 . 4.30 235 222 A 541 ARG H A 532 LEU HDx% 1.0 . 5.50 236 223 A 542 TYR H A 532 LEU HDx% 1.0 . 4.09 237 224 A 545 TYR HE2 A 532 LEU HDx% 1.0 . 4.30 238 225 A 542 TYR HBx A 532 LEU HDx% 1.0 . 4.49 239 226 A 547 ALA H A 550 LEU HDx% 1.0 . 5.07 240 227 A 550 LEU HDx% A 546 GLY HA2 1.0 . 4.24 241 227 A 546 GLY HA3 A 550 LEU HDx% 1.0 . 4.24 242 228 A 550 LEU HDx% A 549 VAL HB 1.0 . 4.18 243 229 A 546 GLY H A 550 LEU HDy% 1.0 . 5.50 244 230 A 550 LEU HDy% A 550 LEU H 1.0 . 3.31 245 231 A 549 VAL HA A 550 LEU HDy% 1.0 . 4.89 246 232 A 549 VAL HB A 550 LEU HDy% 1.0 . 3.87 247 233 A 550 LEU HDy% A 550 LEU HBx 1.0 . 3.35 248 234 A 540 ASP HBx A 532 LEU HDy% 1.0 . 5.38 249 234 A 540 ASP HBx A 532 LEU HDx% 1.0 . 5.38 250 235 A 540 ASP HBy A 532 LEU HDy% 1.0 . 5.21 251 235 A 540 ASP HBy A 532 LEU HDx% 1.0 . 5.21 252 236 A 541 ARG H A 532 LEU HDy% 1.0 . 4.57 253 236 A 541 ARG H A 532 LEU HDx% 1.0 . 4.57 254 237 A 542 TYR H A 532 LEU HDy% 1.0 . 3.46 255 237 A 542 TYR H A 532 LEU HDx% 1.0 . 3.46 256 238 A 542 TYR HBx A 532 LEU HDy% 1.0 . 3.20 257 238 A 542 TYR HBx A 532 LEU HDx% 1.0 . 3.20 258 239 A 542 TYR HBy A 532 LEU HDy% 1.0 . 4.47 259 239 A 542 TYR HBy A 532 LEU HDx% 1.0 . 4.47 260 240 A 543 SER H A 532 LEU HDy% 1.0 . 4.96 261 240 A 543 SER H A 532 LEU HDx% 1.0 . 4.96 262 241 A 544 GLU H A 532 LEU HDy% 1.0 . 5.44 263 241 A 544 GLU H A 532 LEU HDx% 1.0 . 5.44 264 242 A 545 TYR HBx A 532 LEU HDy% 1.0 . 4.08 265 242 A 545 TYR HBx A 532 LEU HDx% 1.0 . 4.08 266 243 A 545 TYR HE2 A 532 LEU HDy% 1.0 . 3.41 267 243 A 545 TYR HE2 A 532 LEU HDx% 1.0 . 3.41 268 244 A 545 TYR HD2 A 532 LEU HDy% 1.0 . 3.42 269 244 A 545 TYR HD2 A 532 LEU HDx% 1.0 . 3.42 270 245 A 533 VAL HA A 534 ARG HDx 1.0 . 3.33 271 245 A 533 VAL HA A 534 ARG HD3 1.0 . 3.33 272 246 A 533 VAL HGx% A 534 ARG HDx 1.0 . 3.57 273 246 A 533 VAL HGx% A 534 ARG HD3 1.0 . 3.57 274 247 A 534 ARG H A 534 ARG HDx 1.0 . 4.20 275 247 A 534 ARG H A 534 ARG HD3 1.0 . 4.20 276 248 A 534 ARG HA A 534 ARG HDx 1.0 . 4.24 277 248 A 534 ARG HA A 534 ARG HD3 1.0 . 4.24 278 249 A 535 VAL H A 534 ARG HDx 1.0 . 4.07 279 249 A 535 VAL H A 534 ARG HD3 1.0 . 4.07 280 250 A 535 VAL H A 535 VAL HG11 1.0 . 2.68 281 250 A 535 VAL H A 535 VAL HG2% 1.0 . 2.68 282 251 A 535 VAL HA A 535 VAL HG11 1.0 . 2.68 283 251 A 535 VAL HA A 535 VAL HG2% 1.0 . 2.68 284 252 A 536 ALA HA A 537 ARG HG2 1.0 . 4.68 285 252 A 536 ALA HA A 537 ARG HGy 1.0 . 4.68 286 253 A 536 ALA HB% A 537 ARG HBx 1.0 . 5.24 287 253 A 536 ALA HB% A 537 ARG HBy 1.0 . 5.24 288 254 A 536 ALA HB% A 537 ARG HDx 1.0 . 4.74 289 254 A 536 ALA HB% A 537 ARG HD3 1.0 . 4.74 290 255 A 537 ARG H A 537 ARG HBx 1.0 . 3.30 291 255 A 537 ARG H A 537 ARG HBy 1.0 . 3.30 292 256 A 537 ARG H A 537 ARG HDx 1.0 . 3.21 293 256 A 537 ARG H A 537 ARG HD3 1.0 . 3.21 294 257 A 537 ARG HA A 537 ARG HG2 1.0 . 3.47 295 257 A 537 ARG HA A 537 ARG HGy 1.0 . 3.47 296 258 A 537 ARG HA A 537 ARG HDx 1.0 . 4.51 297 258 A 537 ARG HA A 537 ARG HD3 1.0 . 4.51 298 259 A 537 ARG HE A 537 ARG HBx 1.0 . 4.96 299 259 A 537 ARG HE A 537 ARG HBy 1.0 . 4.96 300 260 A 540 ASP HBy A 537 ARG HBx 1.0 . 5.34 301 260 A 540 ASP HBy A 537 ARG HBy 1.0 . 5.34 302 261 A 541 ARG H A 537 ARG HBx 1.0 . 4.63 303 261 A 541 ARG H A 537 ARG HBy 1.0 . 4.63 304 262 A 542 TYR H A 537 ARG HBx 1.0 . 3.77 305 262 A 542 TYR H A 537 ARG HBy 1.0 . 3.77 306 263 A 542 TYR HEy A 537 ARG HBx 1.0 . 4.98 307 263 A 542 TYR HEy A 537 ARG HBy 1.0 . 4.98 308 264 A 542 TYR HDy A 537 ARG HBx 1.0 . 4.54 309 264 A 542 TYR HDy A 537 ARG HBy 1.0 . 4.54 310 265 A 538 LYS H A 537 ARG HDx 1.0 . 4.50 311 265 A 538 LYS H A 537 ARG HD3 1.0 . 4.50 312 266 A 540 ASP H A 538 LYS HGx 1.0 . 5.27 313 266 A 540 ASP H A 538 LYS HGy 1.0 . 5.27 314 267 A 542 TYR HEy A 538 LYS HGx 1.0 . 5.34 315 267 A 542 TYR HEy A 538 LYS HGy 1.0 . 5.34 316 268 A 539 LEU H A 539 LEU HBx 1.0 . 3.67 317 268 A 539 LEU H A 539 LEU HB3 1.0 . 3.67 318 269 A 541 ARG H A 541 ARG HDx 1.0 . 4.07 319 269 A 541 ARG H A 541 ARG HDy 1.0 . 4.07 320 270 A 545 TYR HE2 A 541 ARG HGx 1.0 . 3.95 321 270 A 545 TYR HE2 A 541 ARG HGy 1.0 . 3.95 322 271 A 542 TYR H A 541 ARG HDx 1.0 . 5.30 323 271 A 542 TYR H A 541 ARG HDy 1.0 . 5.30 stop_ save_