data_nef_c50027_6t33 save_entry_information_1 _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information_1 _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 6T33 stop_ save_ save_assembly_1 _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly_1 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 TRP start . . 2 A 2 GLY middle . false 3 A 3 CYS middle . . 4 A 4 VAL middle . . 5 A 5 CYS middle . . 6 A 6 SER middle . . 7 A 7 GLY middle . false 8 A 8 SER middle . . 9 A 9 THR middle . . 10 A 10 ALA middle . . 11 A 11 VAL middle . . 12 A 12 ALA middle . . 13 A 13 ASN middle . . 14 A 14 SER middle . . 15 A 15 HIS middle . . 16 A 16 ASN middle . . 17 A 17 ALA middle . . 18 A 18 GLY middle . false 19 A 19 PRO middle . false 20 A 20 ALA middle . . 21 A 21 TYR middle . . 22 A 22 CYS middle . . 23 A 23 VAL middle . . 24 A 24 GLY middle . false 25 A 25 TYR middle . . 26 A 26 CYS middle . . 27 A 27 GLY middle . false 28 A 28 ASN middle . . 29 A 29 ASN middle . . 30 A 30 GLY middle . false 31 A 31 VAL middle . . 32 A 32 VAL middle . . 33 A 33 THR middle . . 34 A 34 ARG middle . . 35 A 35 ASN middle . . 36 A 36 ALA middle . . 37 A 37 ASN middle . . 38 A 38 ALA middle . . 39 A 39 ASN middle . . 40 A 40 VAL middle . . 41 A 41 ALA middle . . 42 A 42 LYS middle . . 43 A 43 THR middle . . 44 A 44 ALA 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 TRP HD1 H 1 7.391 0.005 A 1 TRP HE1 H 1 10.238 0.001 A 1 TRP HE3 H 1 7.503 0.002 A 1 TRP HH2 H 1 7.571 0.001 A 1 TRP HZ2 H 1 7.236 0.008 A 1 TRP HZ3 H 1 7.153 0.001 A 1 TRP C C 13 171.440 . A 1 TRP CA C 13 55.884 . A 1 TRP CB C 13 29.750 . A 1 TRP NE1 N 15 131.719 . A 2 GLY H H 1 8.889 0.004 A 2 GLY HAy H 1 4.800 . A 2 GLY HAx H 1 4.021 0.005 A 2 GLY C C 13 173.422 0.001 A 2 GLY CA C 13 44.226 0.062 A 2 GLY N N 15 106.453 0.0 A 3 CYS H H 1 8.718 0.004 A 3 CYS HA H 1 5.576 0.007 A 3 CYS HBy H 1 3.218 0.012 A 3 CYS HBx H 1 2.766 0.008 A 3 CYS C C 13 172.472 0.031 A 3 CYS CA C 13 53.051 0.004 A 3 CYS CB C 13 35.879 0.026 A 3 CYS N N 15 121.846 0.003 A 4 VAL H H 1 8.505 0.003 A 4 VAL HA H 1 4.307 0.008 A 4 VAL HB H 1 1.975 0.012 A 4 VAL HG1% H 1 0.811 0.01 A 4 VAL C C 13 175.113 0.02 A 4 VAL CA C 13 61.759 0.052 A 4 VAL CB C 13 33.272 0.021 A 4 VAL CG1 C 13 20.820 0.001 A 4 VAL N N 15 128.216 0.003 A 5 CYS H H 1 8.797 0.008 A 5 CYS HA H 1 5.643 0.016 A 5 CYS HBy H 1 3.139 0.013 A 5 CYS HBx H 1 2.505 0.013 A 5 CYS C C 13 175.810 0.007 A 5 CYS CA C 13 52.632 0.035 A 5 CYS CB C 13 35.660 0.013 A 5 CYS N N 15 123.859 0.031 A 6 SER H H 1 8.000 0.002 A 6 SER HA H 1 4.402 0.009 A 6 SER HBy H 1 3.762 0.003 A 6 SER HBx H 1 3.137 0.006 A 6 SER CA C 13 59.698 0.013 A 6 SER CB C 13 63.260 0.031 A 6 SER N N 15 121.242 0.007 A 7 GLY H H 1 8.402 0.003 A 7 GLY HAy H 1 4.356 0.008 A 7 GLY HAx H 1 3.654 0.008 A 7 GLY C C 13 173.414 . A 7 GLY CA C 13 45.172 0.038 A 7 GLY N N 15 112.830 0.013 A 8 SER H H 1 7.918 0.003 A 8 SER HA H 1 4.595 0.012 A 8 SER HBy H 1 4.335 0.017 A 8 SER HBx H 1 4.036 0.008 A 8 SER C C 13 175.005 0.033 A 8 SER CA C 13 57.640 0.044 A 8 SER CB C 13 65.698 0.05 A 8 SER N N 15 116.380 0.079 A 9 THR H H 1 8.886 0.009 A 9 THR HA H 1 4.554 0.002 A 9 THR HB H 1 3.651 0.001 A 9 THR HG2% H 1 1.322 0.023 A 9 THR C C 13 175.766 . A 9 THR CA C 13 65.528 . A 9 THR CB C 13 68.710 0.008 A 9 THR CG2 C 13 22.364 . A 9 THR N N 15 117.944 0.0 A 10 ALA H H 1 8.134 0.006 A 10 ALA HA H 1 4.066 0.008 A 10 ALA HB% H 1 1.361 0.017 A 10 ALA C C 13 181.214 0.042 A 10 ALA CA C 13 55.332 0.013 A 10 ALA CB C 13 17.942 0.029 A 10 ALA N N 15 124.172 0.007 A 11 VAL H H 1 7.582 0.003 A 11 VAL HA H 1 3.555 0.017 A 11 VAL HB H 1 2.318 0.023 A 11 VAL HGx% H 1 1.043 0.013 A 11 VAL HGy% H 1 0.916 0.01 A 11 VAL C C 13 178.214 0.006 A 11 VAL CA C 13 66.651 0.061 A 11 VAL CB C 13 31.471 0.022 A 11 VAL CGy C 13 22.860 0.001 A 11 VAL CGx C 13 21.309 0.001 A 11 VAL N N 15 120.032 0.002 A 12 ALA H H 1 8.778 0.002 A 12 ALA HB% H 1 2.066 0.003 A 12 ALA C C 13 176.879 0.013 A 12 ALA CA C 13 72.252 . A 12 ALA CB C 13 28.680 0.019 A 12 ALA N N 15 131.056 0.005 A 13 ASN H H 1 8.631 0.009 A 13 ASN HA H 1 4.535 0.014 A 13 ASN HB2 H 1 2.897 0.012 A 13 ASN HD21 H 1 6.975 0.004 A 13 ASN HD22 H 1 7.637 0.003 A 13 ASN C C 13 177.488 . A 13 ASN CA C 13 55.558 0.019 A 13 ASN CB C 13 37.579 0.006 A 13 ASN N N 15 114.650 0.002 A 13 ASN ND2 N 15 111.881 0.0 A 14 SER H H 1 7.775 0.002 A 14 SER HA H 1 4.203 0.019 A 14 SER HB2 H 1 3.762 0.013 A 14 SER C C 13 174.404 0.024 A 14 SER CA C 13 60.938 0.029 A 14 SER CB C 13 62.479 0.014 A 14 SER N N 15 117.615 0.002 A 15 HIS H H 1 7.103 0.014 A 15 HIS HA H 1 4.319 0.012 A 15 HIS HBy H 1 3.069 0.022 A 15 HIS HBx H 1 2.915 0.016 A 15 HIS HD2 H 1 6.976 . A 15 HIS HE1 H 1 7.519 . A 15 HIS C C 13 172.699 0.016 A 15 HIS CA C 13 57.646 0.04 A 15 HIS CB C 13 31.142 0.044 A 15 HIS N N 15 118.005 0.024 A 16 ASN H H 1 7.296 0.007 A 16 ASN HD21 H 1 6.714 . A 16 ASN HD22 H 1 8.508 . A 16 ASN C C 13 172.460 0.04 A 16 ASN CA C 13 68.563 0.009 A 16 ASN CB C 13 45.131 0.062 A 16 ASN N N 15 128.931 0.0 A 16 ASN ND2 N 15 118.465 . A 17 ALA H H 1 9.214 0.005 A 17 ALA HA H 1 4.881 0.009 A 17 ALA HB% H 1 1.349 0.004 A 17 ALA C C 13 177.573 0.038 A 17 ALA CA C 13 51.663 0.058 A 17 ALA CB C 13 20.343 0.022 A 17 ALA N N 15 129.781 0.002 A 18 GLY H H 1 8.781 0.004 A 18 GLY HAy H 1 4.504 0.006 A 18 GLY HAx H 1 3.872 0.005 A 18 GLY C C 13 173.280 . A 18 GLY CA C 13 45.830 0.0 A 18 GLY N N 15 110.054 0.0 A 19 PRO C C 13 175.958 . A 19 PRO CA C 13 63.862 . A 19 PRO CB C 13 31.204 . A 20 ALA H H 1 8.166 0.002 A 20 ALA HA H 1 3.917 0.015 A 20 ALA HB% H 1 0.806 0.004 A 20 ALA C C 13 176.937 0.0 A 20 ALA CA C 13 52.389 0.025 A 20 ALA CB C 13 18.399 0.004 A 20 ALA N N 15 119.859 0.003 A 21 TYR H H 1 7.597 0.003 A 21 TYR HA H 1 5.047 0.011 A 21 TYR HBy H 1 3.045 0.013 A 21 TYR HBx H 1 2.982 0.002 A 21 TYR HD1 H 1 7.094 0.002 A 21 TYR HD2 H 1 7.094 0.002 A 21 TYR HE1 H 1 6.818 0.003 A 21 TYR HE2 H 1 6.818 0.003 A 21 TYR C C 13 174.607 0.036 A 21 TYR CA C 13 56.831 0.028 A 21 TYR CB C 13 42.990 0.011 A 21 TYR N N 15 114.011 0.004 A 22 CYS H H 1 9.014 0.002 A 22 CYS HA H 1 4.714 0.018 A 22 CYS HBy H 1 3.278 0.019 A 22 CYS HBx H 1 2.739 0.012 A 22 CYS C C 13 173.340 0.012 A 22 CYS CA C 13 58.381 0.002 A 22 CYS CB C 13 31.819 0.026 A 22 CYS N N 15 121.215 0.0 A 23 VAL H H 1 8.651 0.003 A 23 VAL HA H 1 4.314 0.006 A 23 VAL HB H 1 2.448 0.017 A 23 VAL HGx% H 1 1.030 0.01 A 23 VAL HGy% H 1 0.865 0.009 A 23 VAL C C 13 174.773 0.022 A 23 VAL CA C 13 61.972 0.031 A 23 VAL CB C 13 35.141 0.003 A 23 VAL CGy C 13 21.771 . A 23 VAL CGx C 13 20.995 0.005 A 23 VAL N N 15 125.616 0.007 A 24 GLY H H 1 8.807 0.005 A 24 GLY HAx H 1 3.150 0.022 A 24 GLY HAy H 1 5.059 0.007 A 24 GLY C C 13 172.084 0.022 A 24 GLY CA C 13 43.553 0.017 A 24 GLY N N 15 113.918 0.0 A 25 TYR H H 1 8.910 0.005 A 25 TYR HA H 1 4.684 0.021 A 25 TYR HB2 H 1 2.202 0.023 A 25 TYR HD1 H 1 7.033 0.002 A 25 TYR HD2 H 1 7.033 0.002 A 25 TYR HE1 H 1 6.777 0.004 A 25 TYR HE2 H 1 6.777 0.004 A 25 TYR C C 13 176.627 . A 25 TYR CA C 13 57.390 0.0 A 25 TYR CB C 13 40.089 0.001 A 25 TYR N N 15 125.128 0.005 A 26 CYS HA H 1 5.267 0.002 A 26 CYS HBx H 1 3.515 0.001 A 26 CYS HBy H 1 3.584 0.001 A 28 ASN HA H 1 4.948 0.003 A 28 ASN HBy H 1 2.926 . A 28 ASN HBx H 1 2.722 0.003 A 28 ASN HD21 H 1 6.904 0.002 A 28 ASN HD22 H 1 7.593 0.002 A 28 ASN C C 13 176.041 . A 28 ASN CA C 13 52.160 . A 28 ASN CB C 13 37.729 0.001 A 28 ASN ND2 N 15 112.899 0.009 A 29 ASN H H 1 7.978 0.003 A 29 ASN HA H 1 4.587 0.009 A 29 ASN HBx H 1 2.803 0.01 A 29 ASN HBy H 1 2.928 0.008 A 29 ASN HD21 H 1 6.856 0.003 A 29 ASN HD22 H 1 7.378 0.002 A 29 ASN C C 13 175.342 0.018 A 29 ASN CA C 13 54.999 0.05 A 29 ASN CB C 13 39.999 0.02 A 29 ASN N N 15 115.765 0.005 A 29 ASN ND2 N 15 115.212 0.01 A 30 GLY H H 1 8.516 0.003 A 30 GLY HAx H 1 3.779 0.005 A 30 GLY HAy H 1 4.377 0.005 A 30 GLY C C 13 173.711 0.024 A 30 GLY CA C 13 44.181 0.025 A 30 GLY N N 15 109.894 0.0 A 31 VAL H H 1 8.204 0.004 A 31 VAL HA H 1 3.511 0.006 A 31 VAL HB H 1 1.988 0.009 A 31 VAL HG1% H 1 0.935 0.014 A 31 VAL C C 13 176.764 0.018 A 31 VAL CA C 13 65.470 0.074 A 31 VAL CB C 13 32.102 0.029 A 31 VAL CG1 C 13 21.711 0.002 A 31 VAL N N 15 118.758 0.0 A 32 VAL H H 1 8.066 0.003 A 32 VAL HA H 1 3.633 0.008 A 32 VAL HB H 1 2.001 0.009 A 32 VAL HGx% H 1 0.994 0.036 A 32 VAL HGy% H 1 0.888 0.007 A 32 VAL C C 13 179.862 0.016 A 32 VAL CA C 13 66.872 0.024 A 32 VAL CB C 13 30.690 0.018 A 32 VAL CGy C 13 22.830 0.0 A 32 VAL CGx C 13 21.060 0.0 A 32 VAL N N 15 122.172 0.002 A 33 THR H H 1 7.940 0.002 A 33 THR HA H 1 3.850 0.007 A 33 THR HB H 1 3.705 0.01 A 33 THR HG2% H 1 1.033 0.011 A 33 THR C C 13 173.137 . A 33 THR CA C 13 67.222 0.022 A 33 THR CB C 13 68.410 0.054 A 33 THR CG2 C 13 21.288 0.002 A 33 THR N N 15 118.888 0.003 A 34 ARG H H 1 8.778 0.004 A 34 ARG HBy H 1 2.298 0.011 A 34 ARG HBx H 1 2.011 0.002 A 34 ARG HDy H 1 3.206 0.008 A 34 ARG HDx H 1 3.141 0.01 A 34 ARG HGy H 1 1.914 0.017 A 34 ARG HGx H 1 1.271 0.005 A 34 ARG C C 13 175.366 0.006 A 34 ARG CA C 13 74.477 0.076 A 34 ARG CB C 13 35.110 0.013 A 34 ARG CD C 13 43.044 0.026 A 34 ARG CG C 13 25.731 0.0 A 34 ARG N N 15 130.011 0.0 A 35 ASN H H 1 8.530 0.004 A 35 ASN HA H 1 4.350 0.005 A 35 ASN HBy H 1 2.886 0.01 A 35 ASN HBx H 1 2.780 0.01 A 35 ASN HD21 H 1 7.650 0.003 A 35 ASN HD22 H 1 7.005 0.004 A 35 ASN C C 13 177.375 0.004 A 35 ASN CA C 13 55.459 0.022 A 35 ASN CB C 13 37.372 0.025 A 35 ASN N N 15 115.856 0.021 A 35 ASN ND2 N 15 112.396 0.005 A 36 ALA H H 1 8.128 0.002 A 36 ALA HA H 1 4.161 0.01 A 36 ALA HB% H 1 1.504 0.005 A 36 ALA C C 13 180.441 0.01 A 36 ALA CA C 13 55.491 0.002 A 36 ALA CB C 13 17.410 0.0 A 36 ALA N N 15 126.943 0.002 A 37 ASN H H 1 8.379 0.003 A 37 ASN HA H 1 4.251 0.011 A 37 ASN HBy H 1 3.008 0.008 A 37 ASN HBx H 1 2.518 0.011 A 37 ASN HD21 H 1 6.132 0.004 A 37 ASN HD22 H 1 6.376 0.004 A 37 ASN C C 13 177.053 0.004 A 37 ASN CA C 13 55.210 0.0 A 37 ASN CB C 13 36.739 0.019 A 37 ASN N N 15 118.457 0.004 A 37 ASN ND2 N 15 107.713 0.0 A 38 ALA H H 1 7.709 0.004 A 38 ALA HA H 1 3.697 0.01 A 38 ALA HB% H 1 1.522 0.008 A 38 ALA C C 13 179.077 0.009 A 38 ALA CA C 13 55.190 0.001 A 38 ALA CB C 13 17.998 0.031 A 38 ALA N N 15 123.433 0.005 A 39 ASN H H 1 8.099 0.003 A 39 ASN HA H 1 4.402 0.013 A 39 ASN HB2 H 1 2.825 0.008 A 39 ASN HD21 H 1 6.939 0.002 A 39 ASN HD22 H 1 7.571 0.002 A 39 ASN C C 13 177.906 0.024 A 39 ASN CA C 13 56.420 0.028 A 39 ASN CB C 13 38.612 0.021 A 39 ASN N N 15 117.945 0.003 A 39 ASN ND2 N 15 113.968 . A 40 VAL H H 1 7.973 0.004 A 40 VAL HA H 1 3.591 0.01 A 40 VAL HB H 1 2.087 0.013 A 40 VAL HGx% H 1 1.079 0.006 A 40 VAL HGy% H 1 0.884 0.006 A 40 VAL C C 13 178.521 0.018 A 40 VAL CA C 13 65.989 0.044 A 40 VAL CB C 13 31.502 0.056 A 40 VAL CGy C 13 22.840 0.0 A 40 VAL CGx C 13 21.259 0.001 A 40 VAL N N 15 121.679 0.008 A 41 ALA H H 1 7.726 0.002 A 41 ALA HA H 1 3.668 0.011 A 41 ALA HB% H 1 1.257 0.005 A 41 ALA C C 13 177.990 0.012 A 41 ALA CA C 13 55.229 0.041 A 41 ALA CB C 13 19.001 0.023 A 41 ALA N N 15 120.583 0.002 A 42 LYS H H 1 8.790 0.005 A 42 LYS HBy H 1 2.394 0.005 A 42 LYS HBx H 1 2.105 0.008 A 42 LYS HD2 H 1 1.748 0.008 A 42 LYS HE2 H 1 2.983 0.003 A 42 LYS HG2 H 1 1.081 0.003 A 42 LYS C C 13 175.193 . A 42 LYS CA C 13 75.496 0.073 A 42 LYS CB C 13 39.429 0.025 A 42 LYS CD C 13 28.889 0.0 A 42 LYS CE C 13 42.254 0.0 A 42 LYS CG C 13 23.032 . A 42 LYS N N 15 123.860 0.013 A 43 THR H H 1 7.051 0.003 A 43 THR HA H 1 4.251 0.02 A 43 THR HB H 1 4.443 0.008 A 43 THR HG2% H 1 1.173 0.015 A 43 THR C C 13 173.645 0.03 A 43 THR CA C 13 61.884 0.014 A 43 THR CB C 13 69.224 0.043 A 43 THR CG2 C 13 21.870 0.0 A 43 THR N N 15 105.266 0.005 A 44 ALA H H 1 7.155 0.003 A 44 ALA HA H 1 3.886 0.002 A 44 ALA HB% H 1 1.269 0.002 A 44 ALA C C 13 182.761 . A 44 ALA CA C 13 54.926 . A 44 ALA CB C 13 18.715 0.064 A 44 ALA N N 15 132.531 0.003 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _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 3 CYS SG A 16 ASN CA 1.0 . 2.0 2 2 A 5 CYS SG A 12 ALA CA 1.0 . 2.0 3 3 A 22 CYS SG A 42 LYS CA 1.0 . 2.0 4 4 A 26 CYS SG A 34 ARG CA 1.0 . 2.0 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _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 35 ASN H A 35 ASN HBy 1.0 . 3.27 2 2 A 35 ASN H A 34 ARG H 1.0 . 3.19 3 3 A 35 ASN H A 36 ALA H 1.0 . 3.05 4 4 A 30 GLY H A 33 THR H 1.0 . 5.08 5 5 A 35 ASN H A 33 THR H 1.0 . 5.32 6 6 A 35 ASN H A 32 VAL HA 1.0 . 3.88 7 7 A 30 GLY H A 31 VAL HA 1.0 . 5.50 8 8 A 35 ASN H A 31 VAL HA 1.0 . 5.50 9 9 A 35 ASN H A 34 ARG HDx 1.0 . 4.77 10 10 A 35 ASN H A 34 ARG HBx 1.0 . 3.15 11 11 A 35 ASN H A 36 ALA HB% 1.0 . 4.25 12 12 A 35 ASN H A 34 ARG HGy 1.0 . 4.33 13 13 A 35 ASN H A 32 VAL HGx% 1.0 . 4.52 14 14 A 35 ASN H A 32 VAL HGy% 1.0 . 5.50 15 15 A 35 ASN H A 34 ARG HDy 1.0 . 4.77 16 16 A 35 ASN H A 33 THR HA 1.0 . 4.95 17 17 A 11 VAL H A 11 VAL HB 1.0 . 2.88 18 18 A 11 VAL H A 11 VAL HGy% 1.0 . 3.88 19 19 A 11 VAL H A 11 VAL HGx% 1.0 . 2.68 20 20 A 20 ALA HB% A 21 TYR H 1.0 . 3.72 21 21 A 11 VAL H A 10 ALA HB% 1.0 . 2.93 22 22 A 11 VAL H A 5 CYS HBy 1.0 . 5.15 23 23 A 21 TYR H A 21 TYR HBx 1.0 . 4.05 24 24 A 21 TYR H A 21 TYR HBy 1.0 . 4.05 25 25 A 11 VAL H A 10 ALA HA 1.0 . 3.55 26 26 A 11 VAL H A 8 SER HBx 1.0 . 4.02 27 27 A 11 VAL H A 8 SER HA 1.0 . 5.17 28 28 A 21 TYR H A 20 ALA H 1.0 . 2.98 29 29 A 20 ALA HB% A 20 ALA H 1.0 . 2.81 30 30 A 11 VAL HGx% A 9 THR H 1.0 . 4.51 31 31 A 9 THR H A 9 THR HG1 1.0 . 4.21 32 32 A 9 THR H A 9 THR HB 1.0 . 3.61 33 33 A 8 SER HBx A 9 THR H 1.0 . 4.04 34 34 A 8 SER HA A 9 THR H 1.0 . 3.50 35 35 A 2 GLY H A 3 CYS H 1.0 . 4.14 36 36 A 40 VAL H A 40 VAL HGy% 1.0 . 2.90 37 37 A 40 VAL H A 40 VAL HGx% 1.0 . 3.93 38 38 A 40 VAL H A 4 VAL HG1% 1.0 . 4.16 39 39 A 40 VAL H A 41 ALA HB% 1.0 . 4.68 40 40 A 40 VAL H A 38 ALA HB% 1.0 . 4.67 41 41 A 40 VAL H A 40 VAL HB 1.0 . 2.93 42 42 A 40 VAL H A 36 ALA HA 1.0 . 4.97 43 43 A 28 ASN HA A 29 ASN H 1.0 . 3.30 44 44 A 30 GLY H A 29 ASN H 1.0 . 4.09 45 45 A 4 VAL HG1% A 37 ASN H 1.0 . 4.54 46 46 A 36 ALA HB% A 37 ASN H 1.0 . 2.79 47 47 A 37 ASN H A 37 ASN HBx 1.0 . 3.59 48 48 A 35 ASN HBy A 37 ASN H 1.0 . 5.34 49 49 A 37 ASN H A 37 ASN HBy 1.0 . 2.86 50 50 A 37 ASN H A 24 GLY HAy 1.0 . 4.79 51 51 A 33 THR HA A 37 ASN H 1.0 . 4.07 52 52 A 37 ASN H A 24 GLY HAx 1.0 . 5.50 53 53 A 37 ASN H A 38 ALA H 1.0 . 3.11 54 54 A 36 ALA H A 37 ASN H 1.0 . 2.98 55 55 A 4 VAL HG1% A 5 CYS H 1.0 . 3.64 56 56 A 11 VAL HGx% A 12 ALA H 1.0 . 3.32 57 57 A 5 CYS HBy A 5 CYS H 1.0 . 3.18 58 58 A 42 LYS H A 43 THR H 1.0 . 3.40 59 59 A 42 LYS H A 44 ALA H 1.0 . 4.25 60 60 A 34 ARG H A 33 THR H 1.0 . 2.89 61 61 A 11 VAL H A 12 ALA H 1.0 . 2.86 62 62 A 42 LYS H A 22 CYS HA 1.0 . 4.63 63 63 A 42 LYS H A 39 ASN HA 1.0 . 3.89 64 64 A 23 VAL HA A 24 GLY H 1.0 . 2.81 65 65 A 5 CYS H A 4 VAL HA 1.0 . 2.52 66 66 A 34 ARG H A 33 THR HB 1.0 . 2.82 67 67 A 34 ARG H A 31 VAL HA 1.0 . 3.58 68 68 A 42 LYS H A 22 CYS HBx 1.0 . 2.91 69 69 A 34 ARG H A 32 VAL HB 1.0 . 5.06 70 70 A 38 ALA HB% A 24 GLY H 1.0 . 3.40 71 71 A 38 ALA HB% A 42 LYS H 1.0 . 3.98 72 72 A 41 ALA HB% A 42 LYS H 1.0 . 2.99 73 73 A 17 ALA HB% A 18 GLY H 1.0 . 3.96 74 74 A 24 GLY H A 23 VAL HGy% 1.0 . 4.11 75 75 A 34 ARG H A 33 THR HG1 1.0 . 3.70 76 76 A 24 GLY H A 23 VAL HGx% 1.0 . 3.40 77 77 A 11 VAL HGy% A 12 ALA H 1.0 . 3.84 78 78 A 33 THR H A 32 VAL HGx% 1.0 . 3.30 79 79 A 33 THR H A 33 THR HG1 1.0 . 3.24 80 80 A 33 THR H A 36 ALA HB% 1.0 . 4.76 81 81 A 33 THR H A 32 VAL HB 1.0 . 2.77 82 82 A 33 THR H A 29 ASN HBx 1.0 . 5.50 83 83 A 33 THR H A 29 ASN HBy 1.0 . 5.50 84 84 A 33 THR H A 31 VAL HA 1.0 . 4.94 85 85 A 33 THR H A 33 THR HB 1.0 . 3.22 86 86 A 33 THR H A 30 GLY HAy 1.0 . 4.44 87 87 A 33 THR H A 32 VAL H 1.0 . 3.36 88 88 A 11 VAL HGy% A 14 SER H 1.0 . 4.61 89 89 A 11 VAL HGx% A 14 SER H 1.0 . 4.98 90 90 A 10 ALA HB% A 14 SER H 1.0 . 5.26 91 91 A 14 SER H A 11 VAL HA 1.0 . 3.51 92 92 A 10 ALA HA A 14 SER H 1.0 . 4.50 93 93 A 14 SER H A 13 ASN HD21 1.0 . 5.03 94 94 A 14 SER H A 13 ASN H 1.0 . 2.99 95 95 A 12 ALA H A 14 SER H 1.0 . 4.54 96 96 A 4 VAL HG1% A 37 ASN HD21 1.0 . 4.04 97 97 A 37 ASN HBx A 37 ASN HD21 1.0 . 3.46 98 98 A 37 ASN HBy A 37 ASN HD21 1.0 . 3.40 99 99 A 37 ASN HD21 A 6 SER HBx 1.0 . 5.34 100 100 A 24 GLY HAy A 37 ASN HD21 1.0 . 5.50 101 101 A 37 ASN HD21 A 6 SER HBy 1.0 . 5.34 102 102 A 37 ASN HD21 A 37 ASN HA 1.0 . 4.91 103 103 A 37 ASN HD21 A 6 SER HA 1.0 . 4.88 104 104 A 24 GLY HAx A 37 ASN HD21 1.0 . 5.02 105 105 A 37 ASN HD21 A 5 CYS HA 1.0 . 4.22 106 106 A 37 ASN HD21 A 6 SER H 1.0 . 4.08 107 107 A 37 ASN H A 37 ASN HD21 1.0 . 4.88 108 108 A 4 VAL HG1% A 4 VAL H 1.0 . 3.30 109 109 A 41 ALA HB% A 4 VAL H 1.0 . 3.26 110 110 A 4 VAL H A 4 VAL HB 1.0 . 3.11 111 111 A 4 VAL H A 23 VAL HB 1.0 . 4.30 112 112 A 16 ASN HD21 A 3 CYS HBx 1.0 . 3.60 113 113 A 16 ASN HD21 A 3 CYS HBy 1.0 . 3.60 114 114 A 4 VAL H A 41 ALA HA 1.0 . 4.87 115 115 A 16 ASN HD21 A 13 ASN HA 1.0 . 4.00 116 116 A 24 GLY HAx A 4 VAL H 1.0 . 4.06 117 117 A 4 VAL H A 3 CYS HA 1.0 . 2.81 118 118 A 14 SER HA A 16 ASN H 1.0 . 5.48 119 119 A 13 ASN HA A 16 ASN H 1.0 . 3.70 120 120 A 14 SER H A 16 ASN H 1.0 . 4.75 121 121 A 16 ASN HD21 A 16 ASN H 1.0 . 4.43 122 122 A 22 CYS HA A 23 VAL H 1.0 . 3.10 123 123 A 10 ALA HA A 13 ASN H 1.0 . 4.09 124 124 A 41 ALA HA A 23 VAL H 1.0 . 4.49 125 125 A 11 VAL HA A 13 ASN H 1.0 . 4.63 126 126 A 13 ASN H A 13 ASN HBy 1.0 . 2.54 127 127 A 22 CYS HBx A 23 VAL H 1.0 . 4.59 128 128 A 23 VAL HB A 23 VAL H 1.0 . 3.33 129 129 A 23 VAL HGy% A 23 VAL H 1.0 . 3.45 130 130 A 41 ALA HB% A 23 VAL H 1.0 . 3.31 131 131 A 23 VAL HGx% A 23 VAL H 1.0 . 4.20 132 132 A 4 VAL HG1% A 23 VAL H 1.0 . 4.81 133 133 A 3 CYS HA A 23 VAL H 1.0 . 4.02 134 134 A 11 VAL H A 13 ASN H 1.0 . 4.34 135 135 A 12 ALA H A 13 ASN H 1.0 . 3.37 136 136 A 31 VAL H A 31 VAL HG21 1.0 . 3.26 137 137 A 32 VAL HGy% A 31 VAL H 1.0 . 5.50 138 138 A 31 VAL H A 31 VAL HB 1.0 . 2.82 139 139 A 31 VAL H A 30 GLY HAx 1.0 . 2.79 140 140 A 30 GLY HAy A 31 VAL H 1.0 . 2.90 141 141 A 32 VAL H A 31 VAL H 1.0 . 3.62 142 142 A 34 ARG H A 31 VAL H 1.0 . 5.21 143 143 A 35 ASN H A 36 ALA HA 1.0 . 5.25 144 144 A 5 CYS H A 4 VAL H 1.0 . 4.72 145 145 A 37 ASN H A 37 ASN HD22 1.0 . 5.13 146 146 A 5 CYS H A 37 ASN HD22 1.0 . 5.21 147 147 A 5 CYS HA A 37 ASN HD22 1.0 . 4.73 148 148 A 6 SER HA A 37 ASN HD22 1.0 . 4.20 149 149 A 37 ASN HA A 37 ASN HD22 1.0 . 4.83 150 150 A 37 ASN HD22 A 6 SER HBy 1.0 . 4.60 151 151 A 37 ASN HD22 A 6 SER HBx 1.0 . 4.60 152 152 A 37 ASN HBx A 37 ASN HD22 1.0 . 4.01 153 153 A 4 VAL HG1% A 37 ASN HD22 1.0 . 4.15 154 154 A 44 ALA H A 44 ALA HB% 1.0 . 2.68 155 155 A 44 ALA H A 43 THR HG1 1.0 . 4.81 156 156 A 40 VAL HGx% A 44 ALA H 1.0 . 4.86 157 157 A 44 ALA H A 41 ALA HA 1.0 . 3.56 158 158 A 44 ALA H A 40 VAL HA 1.0 . 4.54 159 159 A 16 ASN HD21 A 1 TRP HZ3 1.0 . 4.48 160 160 A 43 THR H A 43 THR HG1 1.0 . 3.12 161 161 A 41 ALA HB% A 43 THR H 1.0 . 4.54 162 162 A 43 THR H A 44 ALA HB% 1.0 . 4.81 163 163 A 43 THR H A 22 CYS HBx 1.0 . 5.00 164 164 A 43 THR H A 40 VAL HA 1.0 . 4.30 165 165 A 43 THR H A 41 ALA HA 1.0 . 4.82 166 166 A 43 THR H A 43 THR HB 1.0 . 3.82 167 167 A 43 THR H A 41 ALA H 1.0 . 4.28 168 168 A 21 TYR HD% A 22 CYS H 1.0 . 4.28 169 169 A 20 ALA H A 21 TYR HD% 1.0 . 3.87 170 170 A 21 TYR H A 21 TYR HD% 1.0 . 3.59 171 171 A 21 TYR HD% A 21 TYR HA 1.0 . 3.16 172 172 A 21 TYR HD% A 17 ALA HA 1.0 . 5.35 173 173 A 21 TYR HD% A 18 GLY HAy 1.0 . 4.68 174 174 A 21 TYR HD% A 18 GLY HAx 1.0 . 4.68 175 175 A 17 ALA HB% A 21 TYR HD% 1.0 . 4.07 176 176 A 20 ALA HB% A 21 TYR HD% 1.0 . 3.48 177 177 A 5 CYS HBx A 25 TYR HD% 1.0 . 4.23 178 178 A 4 VAL HG1% A 25 TYR H 1.0 . 4.63 179 179 A 23 VAL HGx% A 25 TYR H 1.0 . 4.48 180 180 A 4 VAL HB A 25 TYR H 1.0 . 5.50 181 181 A 37 ASN HBx A 25 TYR H 1.0 . 3.96 182 182 A 24 GLY HAy A 25 TYR H 1.0 . 3.52 183 183 A 24 GLY HAx A 25 TYR H 1.0 . 2.96 184 184 A 5 CYS HA A 25 TYR H 1.0 . 3.41 185 185 A 37 ASN HD21 A 25 TYR H 1.0 . 4.30 186 186 A 37 ASN HD22 A 25 TYR H 1.0 . 4.88 187 187 A 4 VAL H A 25 TYR H 1.0 . 4.77 188 188 A 6 SER H A 25 TYR H 1.0 . 4.63 189 189 A 5 CYS H A 6 SER H 1.0 . 4.77 190 190 A 40 VAL H A 42 LYS H 1.0 . 5.06 191 191 A 6 SER H A 25 TYR HE% 1.0 . 4.98 192 192 A 6 SER H A 37 ASN HD22 1.0 . 3.81 193 193 A 5 CYS HA A 6 SER H 1.0 . 2.82 194 194 A 6 SER H A 6 SER HBy 1.0 . 3.56 195 195 A 6 SER H A 5 CYS HBx 1.0 . 3.21 196 196 A 6 SER H A 6 SER HBx 1.0 . 3.56 197 197 A 5 CYS HBy A 6 SER H 1.0 . 4.00 198 198 A 11 VAL HGy% A 6 SER H 1.0 . 4.97 199 199 A 4 VAL HG1% A 6 SER H 1.0 . 5.14 200 200 A 41 ALA HB% A 41 ALA H 1.0 . 2.64 201 201 A 38 ALA HB% A 38 ALA H 1.0 . 2.78 202 202 A 4 VAL HG1% A 41 ALA H 1.0 . 3.23 203 203 A 40 VAL HGx% A 41 ALA H 1.0 . 3.80 204 204 A 40 VAL HGy% A 41 ALA H 1.0 . 3.97 205 205 A 4 VAL HB A 41 ALA H 1.0 . 4.25 206 206 A 40 VAL HB A 41 ALA H 1.0 . 2.89 207 207 A 37 ASN HBx A 38 ALA H 1.0 . 3.96 208 208 A 22 CYS HBx A 41 ALA H 1.0 . 4.86 209 209 A 37 ASN HBy A 38 ALA H 1.0 . 3.50 210 210 A 24 GLY HAy A 38 ALA H 1.0 . 3.54 211 211 A 41 ALA HA A 41 ALA H 1.0 . 2.92 212 212 A 39 ASN HA A 41 ALA H 1.0 . 4.43 213 213 A 24 GLY HAx A 38 ALA H 1.0 . 4.30 214 214 A 40 VAL H A 41 ALA H 1.0 . 3.05 215 215 A 42 LYS H A 41 ALA H 1.0 . 3.11 216 216 A 3 CYS H A 4 VAL HG1% 1.0 . 5.24 217 217 A 3 CYS H A 41 ALA HB% 1.0 . 4.72 218 218 A 3 CYS H A 44 ALA HB% 1.0 . 5.00 219 219 A 3 CYS H A 41 ALA HA 1.0 . 5.50 220 220 A 3 CYS H A 16 ASN HD22 1.0 . 4.72 221 221 A 3 CYS H A 4 VAL H 1.0 . 4.29 222 222 A 13 ASN HA A 16 ASN HD22 1.0 . 4.20 223 223 A 13 ASN H A 13 ASN HD22 1.0 . 4.16 224 224 A 13 ASN HA A 13 ASN HD22 1.0 . 5.16 225 225 A 10 ALA HA A 13 ASN HD22 1.0 . 3.66 226 226 A 13 ASN HD22 A 12 ALA HB% 1.0 . 5.25 227 227 A 36 ALA H A 32 VAL HGx% 1.0 . 4.20 228 228 A 11 VAL HGx% A 10 ALA H 1.0 . 4.31 229 229 A 10 ALA HB% A 10 ALA H 1.0 . 2.81 230 230 A 36 ALA H A 36 ALA HB% 1.0 . 2.51 231 231 A 12 ALA HB% A 10 ALA H 1.0 . 4.91 232 232 A 35 ASN HBy A 36 ALA H 1.0 . 3.70 233 233 A 36 ALA H A 35 ASN HBx 1.0 . 3.70 234 234 A 36 ALA H A 37 ASN HBy 1.0 . 4.98 235 235 A 9 THR HB A 10 ALA H 1.0 . 4.43 236 236 A 36 ALA H A 33 THR HA 1.0 . 3.40 237 237 A 36 ALA H A 36 ALA HA 1.0 . 2.92 238 238 A 8 SER HBx A 10 ALA H 1.0 . 3.37 239 239 A 8 SER HA A 10 ALA H 1.0 . 4.71 240 240 A 11 VAL H A 10 ALA H 1.0 . 3.20 241 241 A 12 ALA H A 10 ALA H 1.0 . 4.53 242 242 A 34 ARG H A 36 ALA H 1.0 . 5.03 243 243 A 9 THR H A 10 ALA H 1.0 . 4.94 244 244 A 29 ASN HD21 A 6 SER HBy 1.0 . 5.50 245 245 A 29 ASN HD21 A 6 SER HBx 1.0 . 5.50 246 246 A 33 THR HG1 A 29 ASN HD21 1.0 . 5.50 247 247 A 17 ALA HB% A 17 ALA H 1.0 . 3.19 248 248 A 18 GLY H A 17 ALA H 1.0 . 3.25 249 249 A 23 VAL HGy% A 22 CYS H 1.0 . 4.83 250 250 A 22 CYS H A 21 TYR HA 1.0 . 3.18 251 251 A 6 SER HA A 7 GLY H 1.0 . 3.01 252 252 A 7 GLY H A 6 SER HBy 1.0 . 5.21 253 253 A 5 CYS HBx A 7 GLY H 1.0 . 4.64 254 254 A 7 GLY H A 6 SER HBx 1.0 . 5.21 255 255 A 8 SER HA A 12 ALA H 1.0 . 5.50 256 256 A 12 ALA H A 13 ASN HBy 1.0 . 5.14 257 257 A 35 ASN HBy A 34 ARG H 1.0 . 5.11 258 258 A 34 ARG H A 32 VAL H 1.0 . 4.35 259 259 A 32 VAL HGx% A 32 VAL H 1.0 . 3.80 260 260 A 32 VAL HGy% A 32 VAL H 1.0 . 2.59 261 261 A 40 VAL HGy% A 39 ASN H 1.0 . 4.32 262 262 A 41 ALA HB% A 39 ASN H 1.0 . 5.21 263 263 A 38 ALA HB% A 39 ASN H 1.0 . 3.03 264 264 A 32 VAL H A 31 VAL HB 1.0 . 2.93 265 265 A 32 VAL HB A 32 VAL H 1.0 . 3.11 266 266 A 40 VAL HB A 39 ASN H 1.0 . 4.95 267 267 A 32 VAL HA A 32 VAL H 1.0 . 2.91 268 268 A 40 VAL HA A 39 ASN H 1.0 . 5.17 269 269 A 32 VAL H A 30 GLY HAx 1.0 . 4.77 270 270 A 36 ALA HA A 39 ASN H 1.0 . 3.87 271 271 A 30 GLY HAy A 32 VAL H 1.0 . 4.01 272 272 A 38 ALA H A 39 ASN H 1.0 . 3.12 273 273 A 40 VAL H A 39 ASN H 1.0 . 3.94 274 274 A 42 LYS H A 39 ASN H 1.0 . 4.94 275 275 A 13 ASN H A 16 ASN H 1.0 . 5.20 276 276 A 11 VAL H A 8 SER H 1.0 . 4.70 277 277 A 8 SER HBx A 8 SER H 1.0 . 4.19 278 278 A 8 SER H A 8 SER HBy 1.0 . 3.06 279 279 A 5 CYS HBx A 8 SER H 1.0 . 5.16 280 280 A 5 CYS HBy A 8 SER H 1.0 . 5.00 281 281 A 10 ALA HB% A 8 SER H 1.0 . 5.44 282 282 A 11 VAL HGx% A 8 SER H 1.0 . 3.26 283 283 A 11 VAL HGy% A 8 SER H 1.0 . 4.21 284 284 A 13 ASN HD21 A 13 ASN H 1.0 . 4.12 285 285 A 12 ALA H A 13 ASN HD21 1.0 . 4.63 286 286 A 13 ASN HD21 A 13 ASN HA 1.0 . 4.43 287 287 A 15 HIS HA A 15 HIS HD2 1.0 . 3.86 288 288 A 10 ALA HA A 13 ASN HD21 1.0 . 4.23 289 289 A 11 VAL HA A 13 ASN HD21 1.0 . 5.50 290 290 A 13 ASN HD21 A 13 ASN HBy 1.0 . 3.08 291 291 A 11 VAL HGx% A 13 ASN HD21 1.0 . 5.32 292 292 A 29 ASN HD22 A 6 SER HBy 1.0 . 5.50 293 293 A 33 THR HG1 A 29 ASN HD22 1.0 . 5.50 294 294 A 20 ALA H A 21 TYR HE% 1.0 . 4.53 295 295 A 21 TYR HA A 21 TYR HE% 1.0 . 4.77 296 296 A 20 ALA HB% A 21 TYR HE% 1.0 . 3.42 297 297 A 35 ASN H A 35 ASN HD21 1.0 . 4.19 298 298 A 35 ASN H A 35 ASN HD22 1.0 . 4.63 299 299 A 35 ASN HD21 A 35 ASN HA 1.0 . 4.35 300 300 A 35 ASN HD22 A 35 ASN HA 1.0 . 4.82 301 301 A 32 VAL HA A 35 ASN HD21 1.0 . 3.99 302 302 A 32 VAL HA A 35 ASN HD22 1.0 . 4.74 303 303 A 31 VAL HA A 35 ASN HD22 1.0 . 5.06 304 304 A 35 ASN HBx A 35 ASN HD22 1.0 . 4.05 305 305 A 35 ASN HBy A 35 ASN HD21 1.0 . 3.18 306 306 A 35 ASN HBy A 35 ASN HD22 1.0 . 3.66 307 307 A 31 VAL HB A 35 ASN HD22 1.0 . 4.43 308 308 A 31 VAL HB A 35 ASN HD21 1.0 . 4.58 309 309 A 36 ALA HB% A 35 ASN HD21 1.0 . 5.50 310 310 A 32 VAL HGy% A 35 ASN HD21 1.0 . 4.51 311 311 A 32 VAL HGy% A 35 ASN HD22 1.0 . 5.50 312 312 A 29 ASN HD22 A 6 SER HBx 1.0 . 5.50 313 313 A 4 VAL HG1% A 5 CYS HA 1.0 . 4.81 314 314 A 11 VAL HGy% A 5 CYS HA 1.0 . 4.93 315 315 A 4 VAL HG1% A 3 CYS HA 1.0 . 4.56 316 316 A 23 VAL HGx% A 3 CYS HA 1.0 . 4.73 317 317 A 23 VAL HGy% A 3 CYS HA 1.0 . 4.70 318 318 A 41 ALA HB% A 3 CYS HA 1.0 . 3.90 319 319 A 4 VAL HB A 3 CYS HA 1.0 . 4.82 320 320 A 23 VAL HB A 3 CYS HA 1.0 . 3.60 321 321 A 4 VAL HA A 3 CYS HA 1.0 . 4.76 322 322 A 1 TRP HZ3 A 16 ASN HD22 1.0 . 3.69 323 323 A 13 ASN HA A 1 TRP HZ3 1.0 . 5.50 324 324 A 15 HIS HA A 15 HIS HE1 1.0 . 5.22 325 325 A 3 CYS H A 3 CYS HBy 1.0 . 3.45 326 325 A 3 CYS H A 3 CYS HBx 1.0 . 3.45 327 326 A 16 ASN H A 3 CYS HBy 1.0 . 4.24 328 326 A 16 ASN H A 3 CYS HBx 1.0 . 4.24 329 327 A 16 ASN HD21 A 3 CYS HBy 1.0 . 3.12 330 327 A 16 ASN HD21 A 3 CYS HBx 1.0 . 3.12 331 328 A 16 ASN HD22 A 3 CYS HBy 1.0 . 3.37 332 328 A 16 ASN HD22 A 3 CYS HBx 1.0 . 3.37 333 329 A 5 CYS HA A 25 TYR HB2 1.0 . 3.48 334 329 A 5 CYS HA A 25 TYR HBy 1.0 . 3.48 335 330 A 6 SER H A 25 TYR HB2 1.0 . 3.85 336 330 A 6 SER H A 25 TYR HBy 1.0 . 3.85 337 331 A 7 GLY H A 6 SER HBy 1.0 . 4.34 338 331 A 7 GLY H A 6 SER HBx 1.0 . 4.34 339 332 A 29 ASN HD22 A 6 SER HBy 1.0 . 3.90 340 332 A 29 ASN HD22 A 6 SER HBx 1.0 . 3.90 341 332 A 29 ASN HD21 A 6 SER HBx 1.0 . 3.90 342 332 A 29 ASN HD21 A 6 SER HBy 1.0 . 3.90 343 333 A 8 SER H A 7 GLY HAy 1.0 . 3.04 344 333 A 8 SER H A 7 GLY HAx 1.0 . 3.04 345 334 A 13 ASN H A 14 SER HB2 1.0 . 4.87 346 334 A 13 ASN H A 14 SER HBy 1.0 . 4.87 347 335 A 13 ASN HD21 A 14 SER HB2 1.0 . 5.34 348 335 A 13 ASN HD21 A 14 SER HBy 1.0 . 5.34 349 336 A 14 SER H A 14 SER HB2 1.0 . 2.72 350 336 A 14 SER H A 14 SER HBy 1.0 . 2.72 351 337 A 16 ASN H A 14 SER HB2 1.0 . 5.21 352 337 A 16 ASN H A 14 SER HBy 1.0 . 5.21 353 338 A 16 ASN H A 15 HIS HBy 1.0 . 4.24 354 338 A 16 ASN H A 15 HIS HBx 1.0 . 4.24 355 339 A 20 ALA H A 18 GLY HAy 1.0 . 4.34 356 339 A 20 ALA H A 18 GLY HAx 1.0 . 4.34 357 340 A 21 TYR H A 21 TYR HBx 1.0 . 3.32 358 340 A 21 TYR H A 21 TYR HBy 1.0 . 3.32 359 341 A 22 CYS H A 21 TYR HBx 1.0 . 3.54 360 341 A 22 CYS H A 21 TYR HBy 1.0 . 3.54 361 342 A 25 TYR H A 25 TYR HB2 1.0 . 3.09 362 342 A 25 TYR H A 25 TYR HBy 1.0 . 3.09 363 343 A 29 ASN HD21 A 26 CYS HBy 1.0 . 4.76 364 343 A 29 ASN HD22 A 26 CYS HBx 1.0 . 4.76 365 343 A 29 ASN HD21 A 26 CYS HBx 1.0 . 4.76 366 343 A 29 ASN HD22 A 26 CYS HBy 1.0 . 4.76 367 344 A 28 ASN HBx A 28 ASN HD21 1.0 . 2.96 368 344 A 28 ASN HBy A 28 ASN HD21 1.0 . 2.96 369 344 A 28 ASN HD22 A 28 ASN HBy 1.0 . 2.96 370 344 A 28 ASN HBx A 28 ASN HD22 1.0 . 2.96 371 345 A 29 ASN H A 29 ASN HBy 1.0 . 2.93 372 345 A 29 ASN H A 29 ASN HBx 1.0 . 2.93 373 346 A 29 ASN H A 29 ASN HD21 1.0 . 3.54 374 346 A 29 ASN H A 29 ASN HD22 1.0 . 3.54 375 347 A 29 ASN HD22 A 29 ASN HBy 1.0 . 2.90 376 347 A 29 ASN HD22 A 29 ASN HBx 1.0 . 2.90 377 347 A 29 ASN HD21 A 29 ASN HBx 1.0 . 2.90 378 347 A 29 ASN HD21 A 29 ASN HBy 1.0 . 2.90 379 348 A 35 ASN H A 34 ARG HDx 1.0 . 3.91 380 348 A 35 ASN H A 34 ARG HDy 1.0 . 3.91 381 349 A 35 ASN HD22 A 34 ARG HDx 1.0 . 4.75 382 349 A 35 ASN HD22 A 34 ARG HDy 1.0 . 4.75 383 350 A 36 ALA HA A 39 ASN HD21 1.0 . 3.86 384 350 A 36 ALA HA A 39 ASN HD22 1.0 . 3.86 385 351 A 36 ALA HB% A 39 ASN HD21 1.0 . 4.26 386 351 A 36 ALA HB% A 39 ASN HD22 1.0 . 4.26 387 352 A 39 ASN H A 39 ASN HB2 1.0 . 2.57 388 352 A 39 ASN H A 39 ASN HBy 1.0 . 2.57 389 353 A 39 ASN HB2 A 39 ASN HD21 1.0 . 2.89 390 353 A 39 ASN HBy A 39 ASN HD21 1.0 . 2.89 391 353 A 39 ASN HD22 A 39 ASN HB2 1.0 . 2.89 392 353 A 39 ASN HD22 A 39 ASN HBy 1.0 . 2.89 393 354 A 42 LYS H A 42 LYS HD2 1.0 . 4.23 394 354 A 42 LYS H A 42 LYS HDy 1.0 . 4.23 395 355 A 43 THR H A 42 LYS HBy 1.0 . 3.88 396 355 A 43 THR H A 42 LYS HBx 1.0 . 3.88 397 356 A 43 THR H A 42 LYS HD2 1.0 . 4.80 398 356 A 43 THR H A 42 LYS HDy 1.0 . 4.80 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.restraint_origin undefined _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 3 CYS SG A 16 ASN CA 1.0 . 1.6 2 2 A 5 CYS SG A 12 ALA CA 1.0 . 1.6 3 3 A 22 CYS SG A 42 LYS CA 1.0 . 1.6 4 4 A 26 CYS SG A 34 ARG CA 1.0 . 1.6 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 hbond _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 23 VAL H A 2 GLY O 1.0 . 1.8 2 2 A 2 GLY O A 23 VAL N 1.0 . 2.7 3 3 A 25 TYR H A 4 VAL O 1.0 . 1.8 4 4 A 4 VAL O A 25 TYR N 1.0 . 2.7 5 5 A 12 ALA H A 9 THR O 1.0 . 1.8 6 6 A 9 THR O A 12 ALA N 1.0 . 2.7 7 7 A 13 ASN H A 9 THR O 1.0 . 1.8 8 8 A 9 THR O A 13 ASN N 1.0 . 2.7 9 9 A 13 ASN H A 10 ALA O 1.0 . 1.8 10 10 A 13 ASN N A 10 ALA O 1.0 . 2.7 11 11 A 14 SER H A 10 ALA O 1.0 . 1.8 12 12 A 10 ALA O A 14 SER N 1.0 . 2.7 13 13 A 14 SER H A 11 VAL O 1.0 . 1.8 14 14 A 14 SER N A 11 VAL O 1.0 . 2.7 15 15 A 11 VAL O A 15 HIS H 1.0 . 1.8 16 16 A 11 VAL O A 15 HIS N 1.0 . 2.7 17 17 A 15 HIS H A 12 ALA O 1.0 . 1.8 18 18 A 15 HIS N A 12 ALA O 1.0 . 2.7 19 19 A 4 VAL H A 23 VAL O 1.0 . 1.8 20 20 A 23 VAL O A 4 VAL N 1.0 . 2.7 21 21 A 6 SER H A 25 TYR O 1.0 . 1.8 22 22 A 25 TYR O A 6 SER N 1.0 . 2.7 23 23 A 34 ARG H A 31 VAL O 1.0 . 1.8 24 24 A 31 VAL O A 34 ARG N 1.0 . 2.7 25 25 A 35 ASN H A 31 VAL O 1.0 . 1.8 26 26 A 31 VAL O A 35 ASN N 1.0 . 2.7 27 27 A 36 ALA H A 32 VAL O 1.0 . 1.8 28 28 A 32 VAL O A 36 ALA N 1.0 . 2.7 29 29 A 37 ASN H A 33 THR O 1.0 . 1.8 30 30 A 33 THR O A 37 ASN N 1.0 . 2.7 31 31 A 38 ALA H A 35 ASN O 1.0 . 1.8 32 32 A 35 ASN O A 38 ALA N 1.0 . 2.7 33 33 A 39 ASN H A 35 ASN O 1.0 . 1.8 34 34 A 35 ASN O A 39 ASN N 1.0 . 2.7 35 35 A 40 VAL H A 36 ALA O 1.0 . 1.8 36 36 A 36 ALA O A 40 VAL N 1.0 . 2.7 37 37 A 39 ASN H A 36 ALA O 1.0 . 1.8 38 38 A 39 ASN N A 36 ALA O 1.0 . 2.7 39 39 A 41 ALA H A 37 ASN O 1.0 . 1.8 40 40 A 37 ASN O A 41 ALA N 1.0 . 2.7 41 41 A 41 ALA H A 38 ALA O 1.0 . 1.8 42 42 A 41 ALA N A 38 ALA O 1.0 . 2.7 43 43 A 42 LYS H A 38 ALA O 1.0 . 1.8 44 44 A 38 ALA O A 42 LYS N 1.0 . 2.7 45 45 A 42 LYS H A 39 ASN O 1.0 . 1.8 46 46 A 42 LYS N A 39 ASN O 1.0 . 2.7 47 47 A 43 THR H A 40 VAL O 1.0 . 1.8 48 48 A 40 VAL O A 43 THR N 1.0 . 2.7 49 49 A 44 ALA H A 41 ALA O 1.0 . 1.8 50 50 A 41 ALA O A 44 ALA N 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 save_