data_nef_c11591_2rv9 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 11592 PDB 2RV9 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 -5 HIS start . . 2 A -4 HIS middle . . 3 A -3 HIS middle . . 4 A -2 HIS middle . . 5 A -1 HIS middle . . 6 A 0 HIS middle . . 7 A 1 ASN middle . . 8 A 2 LEU middle . . 9 A 3 ALA middle . . 10 A 4 LEU middle . . 11 A 5 ASN middle . . 12 A 6 LYS middle . . 13 A 7 THR middle . . 14 A 8 ALA middle . . 15 A 9 THR middle . . 16 A 10 ALA middle . . 17 A 11 SER middle . . 18 A 12 SER middle . . 19 A 13 ILE middle . . 20 A 14 GLU middle . . 21 A 15 GLY middle . false 22 A 16 ALA middle . . 23 A 17 GLY middle . false 24 A 18 PHE middle . . 25 A 19 GLU middle . . 26 A 20 ALA middle . . 27 A 21 SER middle . . 28 A 22 ARG middle . . 29 A 23 ALA middle . . 30 A 24 PHE middle . . 31 A 25 ASP middle . . 32 A 26 GLY middle . false 33 A 27 SER middle . . 34 A 28 SER middle . . 35 A 29 THR middle . . 36 A 30 THR middle . . 37 A 31 ARG middle . . 38 A 32 TRP middle . . 39 A 33 ALA middle . . 40 A 34 SER middle . true 41 A 35 ALA middle . . 42 A 36 GLU middle . . 43 A 37 GLY middle . false 44 A 38 VAL middle . . 45 A 39 ASP middle . . 46 A 40 PRO middle . false 47 A 41 GLN middle . . 48 A 42 TRP middle . . 49 A 43 ILE middle . . 50 A 44 TYR middle . . 51 A 45 VAL middle . . 52 A 46 ASN middle . . 53 A 47 LEU middle . . 54 A 48 GLY middle . false 55 A 49 SER middle . . 56 A 50 SER middle . . 57 A 51 GLN middle . . 58 A 52 THR middle . . 59 A 53 VAL middle . . 60 A 54 ASN middle . . 61 A 55 ARG middle . . 62 A 56 VAL middle . . 63 A 57 LYS middle . . 64 A 58 LEU middle . . 65 A 59 ASN middle . . 66 A 60 TRP middle . . 67 A 61 GLU middle . . 68 A 62 ALA middle . . 69 A 63 ALA middle . . 70 A 64 TYR middle . . 71 A 65 ALA middle . . 72 A 66 SER middle . . 73 A 67 SER middle . . 74 A 68 TYR middle . . 75 A 69 THR middle . . 76 A 70 ILE middle . . 77 A 71 GLN middle . . 78 A 72 VAL middle . . 79 A 73 SER middle . . 80 A 74 ASN middle . . 81 A 75 ASP middle . . 82 A 76 SER middle . . 83 A 77 GLY middle . false 84 A 78 THR middle . . 85 A 79 PRO middle . false 86 A 80 THR middle . . 87 A 81 ASN middle . . 88 A 82 TRP middle . . 89 A 83 THR middle . . 90 A 84 THR middle . . 91 A 85 VAL middle . . 92 A 86 TYR middle . . 93 A 87 THR middle . . 94 A 88 THR middle . . 95 A 89 THR middle . . 96 A 90 THR middle . . 97 A 91 GLY middle . false 98 A 92 ASP middle . . 99 A 93 GLY middle . false 100 A 94 GLY middle . false 101 A 95 ILE middle . . 102 A 96 ASP middle . . 103 A 97 ASP middle . . 104 A 98 ILE middle . . 105 A 99 THR middle . . 106 A 100 PHE middle . . 107 A 101 THR middle . . 108 A 102 ALA middle . . 109 A 103 ARG middle . . 110 A 104 THR middle . . 111 A 105 ALA middle . . 112 A 106 LYS middle . . 113 A 107 TYR middle . . 114 A 108 VAL middle . . 115 A 109 ARG middle . . 116 A 110 VAL middle . . 117 A 111 HIS middle . . 118 A 112 GLY middle . false 119 A 113 THR middle . . 120 A 114 VAL middle . . 121 A 115 ARG middle . . 122 A 116 GLY middle . false 123 A 117 THR middle . . 124 A 118 PRO middle . false 125 A 119 TYR middle . . 126 A 120 GLY middle . false 127 A 121 TYR middle . . 128 A 122 SER middle . . 129 A 123 LEU middle . . 130 A 124 TRP middle . . 131 A 125 GLU middle . . 132 A 126 PHE middle . . 133 A 127 GLU middle . . 134 A 128 VAL middle . . 135 A 129 TYR middle . . 136 A 130 GLY end . false 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 ASN H H 1 8.439 0.008 A 1 ASN HA H 1 4.164 0.025 A 1 ASN HBy H 1 2.837 0.064 A 1 ASN HBx H 1 2.699 0.016 A 1 ASN C C 13 176.141 0.009 A 1 ASN CA C 13 51.964 0.097 A 1 ASN CB C 13 36.978 0.077 A 1 ASN N N 15 120.614 0.065 A 2 LEU H H 1 9.199 0.001 A 2 LEU HA H 1 3.791 0.018 A 2 LEU HBy H 1 1.334 0.022 A 2 LEU HBx H 1 1.2 0.01 A 2 LEU C C 13 176.763 0.009 A 2 LEU CA C 13 55.777 0.08 A 2 LEU CB C 13 42.812 0.052 A 2 LEU N N 15 129.595 0.053 A 3 ALA H H 1 7.694 0.008 A 3 ALA HA H 1 3.815 0.01 A 3 ALA HB% H 1 1.406 0.017 A 3 ALA C C 13 175.472 0 A 3 ALA CA C 13 51.449 0.067 A 3 ALA CB C 13 21.05 0.072 A 3 ALA N N 15 117.353 0.052 A 4 LEU H H 1 6.324 0.01 A 4 LEU HA H 1 3.911 0.023 A 4 LEU HBy H 1 1.675 0.011 A 4 LEU HBx H 1 1.303 0.01 A 4 LEU HD1% H 1 0.675 0.012 A 4 LEU HG H 1 0.788 0.013 A 4 LEU C C 13 177.732 0 A 4 LEU CA C 13 56.415 0.081 A 4 LEU CB C 13 41.998 0.073 A 4 LEU CD1 C 13 22.451 0.097 A 4 LEU CG C 13 25.858 0.075 A 4 LEU N N 15 118.311 0.031 A 5 ASN H H 1 9.905 0.001 A 5 ASN HA H 1 4.325 0.01 A 5 ASN HBy H 1 2.985 0.017 A 5 ASN HBx H 1 2.811 0.011 A 5 ASN HD2y H 1 7.552 0.011 A 5 ASN HD2x H 1 6.986 0.02 A 5 ASN C C 13 174.419 0.032 A 5 ASN CA C 13 54.875 0.075 A 5 ASN CB C 13 37.059 0.068 A 5 ASN N N 15 120.467 0.031 A 5 ASN ND2 N 15 113.207 0.006 A 6 LYS H H 1 7.31 0.001 A 6 LYS HA H 1 4.328 0.011 A 6 LYS HBy H 1 1.95 0.014 A 6 LYS HBx H 1 1.33 0.01 A 6 LYS C C 13 175.945 0.005 A 6 LYS CA C 13 53.227 0.086 A 6 LYS CB C 13 31.387 0.06 A 6 LYS N N 15 118.852 0.045 A 7 THR H H 1 7.737 0.004 A 7 THR HA H 1 3.905 0.021 A 7 THR HB H 1 3.925 0.016 A 7 THR HG2% H 1 1.182 0.011 A 7 THR C C 13 173.222 0.009 A 7 THR CA C 13 64.157 0.097 A 7 THR CB C 13 69.536 0.073 A 7 THR CG2 C 13 22.074 0.012 A 7 THR N N 15 114.143 0.069 A 8 ALA H H 1 8.473 0 A 8 ALA HA H 1 4.906 0.022 A 8 ALA HB% H 1 0.959 0.016 A 8 ALA C C 13 176.244 0.002 A 8 ALA CA C 13 50.437 0.084 A 8 ALA CB C 13 25.732 0.038 A 8 ALA N N 15 131.108 0.025 A 9 THR H H 1 8.321 0.001 A 9 THR HA H 1 4.1 0.022 A 9 THR HB H 1 2.374 0.008 A 9 THR HG2% H 1 1.11 0.013 A 9 THR C C 13 170.617 0.002 A 9 THR CA C 13 61.808 0.102 A 9 THR CB C 13 71.495 0.13 A 9 THR CG2 C 13 20.909 0.131 A 9 THR N N 15 117.415 0.047 A 10 ALA H H 1 8.518 0.001 A 10 ALA HA H 1 4.811 0.013 A 10 ALA HB% H 1 1.02 0.018 A 10 ALA C C 13 176.743 0.005 A 10 ALA CA C 13 49.858 0.12 A 10 ALA CB C 13 24.45 0.035 A 10 ALA N N 15 126.13 0.08 A 11 SER H H 1 7.84 0 A 11 SER HA H 1 3.394 0.008 A 11 SER HBy H 1 2.812 0.008 A 11 SER HBx H 1 1.205 0.004 A 11 SER C C 13 175.281 0 A 11 SER CA C 13 60.038 0.119 A 11 SER CB C 13 59.921 0.132 A 11 SER N N 15 115.243 0.05 A 12 SER H H 1 7.339 0 A 12 SER HA H 1 4.445 0.011 A 12 SER HBy H 1 4.137 0.015 A 12 SER HBx H 1 3.727 0.027 A 12 SER C C 13 172.191 0 A 12 SER CA C 13 58.145 0.13 A 12 SER CB C 13 65.034 0.081 A 12 SER N N 15 110.709 0.08 A 13 ILE H H 1 8.264 0.001 A 13 ILE HA H 1 5.355 0.013 A 13 ILE HB H 1 1.849 0.014 A 13 ILE HD1% H 1 0.827 0.014 A 13 ILE HG12 H 1 1.15 0.016 A 13 ILE HG13 H 1 1.15 0.016 A 13 ILE HG2% H 1 1.157 0.011 A 13 ILE C C 13 176.336 0.006 A 13 ILE CA C 13 58.854 0.13 A 13 ILE CB C 13 42.955 0.121 A 13 ILE CD1 C 13 13.907 0.144 A 13 ILE CG1 C 13 25.429 0.161 A 13 ILE CG2 C 13 18.849 0.091 A 13 ILE N N 15 111.516 0.04 A 14 GLU H H 1 8.435 0.001 A 14 GLU HA H 1 3.535 0.017 A 14 GLU HBy H 1 1.522 0.04 A 14 GLU HBx H 1 1.001 0.014 A 14 GLU HG2 H 1 1.829 0.016 A 14 GLU C C 13 176.407 0.005 A 14 GLU CA C 13 58.399 0.17 A 14 GLU CB C 13 29.518 0.103 A 14 GLU CG C 13 35.355 0.163 A 14 GLU N N 15 124.303 0.055 A 15 GLY H H 1 6.745 0 A 15 GLY HAy H 1 4.2 0.011 A 15 GLY HAx H 1 3.775 0.008 A 15 GLY C C 13 171.062 0.041 A 15 GLY CA C 13 43.467 0.063 A 15 GLY N N 15 99.595 0.041 A 16 ALA H H 1 8.348 0.001 A 16 ALA HA H 1 4.154 0.011 A 16 ALA HB% H 1 1.27 0.015 A 16 ALA C C 13 178.529 0 A 16 ALA CA C 13 53.323 0.143 A 16 ALA CB C 13 17.94 0.059 A 16 ALA N N 15 122.492 0.016 A 17 GLY H H 1 9.257 0.006 A 17 GLY HAy H 1 3.86 0.009 A 17 GLY HAx H 1 3.35 0.011 A 17 GLY C C 13 173.533 0.003 A 17 GLY CA C 13 44.562 0.183 A 17 GLY N N 15 112.883 0.062 A 18 PHE H H 1 7.508 0.001 A 18 PHE HA H 1 5.66 0.014 A 18 PHE HBy H 1 3.631 0.025 A 18 PHE HBx H 1 2.586 0.02 A 18 PHE HD1 H 1 6.792 0.013 A 18 PHE C C 13 175.201 0.019 A 18 PHE CA C 13 56.678 0.131 A 18 PHE CB C 13 39.673 0.059 A 18 PHE CD1 C 13 132.341 0 A 18 PHE N N 15 119.02 0.057 A 19 GLU H H 1 8.543 0.001 A 19 GLU HA H 1 4.174 0.018 A 19 GLU HBx H 1 2.197 0.01 A 19 GLU C C 13 177.048 0.01 A 19 GLU CA C 13 59.13 0.097 A 19 GLU CB C 13 29.308 0.064 A 19 GLU CG C 13 36.632 0.063 A 19 GLU N N 15 115.527 0.052 A 20 ALA H H 1 8.608 0 A 20 ALA HA H 1 3.91 0.025 A 20 ALA HB% H 1 1.002 0.032 A 20 ALA C C 13 178.746 0.005 A 20 ALA CA C 13 54.998 0.139 A 20 ALA CB C 13 18.101 0.091 A 20 ALA N N 15 123.05 0.065 A 21 SER H H 1 7.941 0 A 21 SER HA H 1 3.983 0.013 A 21 SER HB2 H 1 4.158 0.023 A 21 SER HB3 H 1 4.158 0.023 A 21 SER C C 13 177.01 0 A 21 SER CA C 13 60.408 0.133 A 21 SER CB C 13 62.307 0.071 A 21 SER N N 15 108.629 0.037 A 22 ARG H H 1 7.995 0.002 A 22 ARG HA H 1 4.04 0.013 A 22 ARG HBy H 1 1.935 0.067 A 22 ARG HBx H 1 1.603 0.026 A 22 ARG HDx H 1 3.123 0.007 A 22 ARG HGx H 1 1.558 0.01 A 22 ARG HGy H 1 1.946 0.007 A 22 ARG C C 13 177.926 0.01 A 22 ARG CA C 13 56.329 0.127 A 22 ARG CB C 13 29.281 0.212 A 22 ARG CD C 13 41.054 0 A 22 ARG CG C 13 26.111 0.074 A 22 ARG N N 15 119.921 0.064 A 23 ALA H H 1 7.95 0.001 A 23 ALA HA H 1 4.378 0.015 A 23 ALA HB% H 1 0.845 0.02 A 23 ALA C C 13 173.539 0.01 A 23 ALA CA C 13 52.178 0.065 A 23 ALA CB C 13 17.733 0.077 A 23 ALA N N 15 124.74 0.089 A 24 PHE H H 1 7.205 0.001 A 24 PHE HA H 1 5.466 0.015 A 24 PHE HBy H 1 3.906 0.007 A 24 PHE HBx H 1 2.368 0.012 A 24 PHE HD1 H 1 7.061 0.021 A 24 PHE HD2 H 1 7.061 0.021 A 24 PHE HE1 H 1 6.145 0.013 A 24 PHE HE2 H 1 6.145 0.013 A 24 PHE HZ H 1 6.693 0.014 A 24 PHE C C 13 175.842 0.009 A 24 PHE CA C 13 56.069 0.111 A 24 PHE CB C 13 39.72 0.171 A 24 PHE CD1 C 13 133.555 0.004 A 24 PHE CE1 C 13 130.362 0.004 A 24 PHE CZ C 13 129.74 0.148 A 24 PHE N N 15 115.93 0.072 A 25 ASP H H 1 8.257 0.003 A 25 ASP HA H 1 4.923 0.01 A 25 ASP HBy H 1 3.087 0.042 A 25 ASP HBx H 1 2.581 0.017 A 25 ASP C C 13 177.857 0.006 A 25 ASP CA C 13 52.022 0.085 A 25 ASP CB C 13 40.928 0.125 A 25 ASP N N 15 117.882 0.07 A 26 GLY H H 1 9.318 0.002 A 26 GLY HAy H 1 3.876 0.012 A 26 GLY HAx H 1 3.573 0.139 A 26 GLY C C 13 173.586 0.016 A 26 GLY CA C 13 45.647 0.094 A 26 GLY N N 15 113.407 0.056 A 27 SER H H 1 7.728 0.004 A 27 SER HA H 1 4.943 0.03 A 27 SER HBy H 1 3.893 0.006 A 27 SER HBx H 1 3.572 0.016 A 27 SER C C 13 177.881 0 A 27 SER CA C 13 55.232 0.13 A 27 SER CB C 13 62.883 0.117 A 27 SER N N 15 111.779 0.024 A 28 SER H H 1 9.784 0 A 28 SER HA H 1 4.192 0.011 A 28 SER HBy H 1 3.666 0.042 A 28 SER HBx H 1 3.582 0.022 A 28 SER C C 13 170.941 0 A 28 SER CA C 13 59.808 0.03 A 28 SER CB C 13 62.122 0.012 A 28 SER N N 15 130.08 0 A 29 THR H H 1 8.081 0.001 A 29 THR HA H 1 4.193 0.009 A 29 THR HB H 1 4.434 0.006 A 29 THR HG2% H 1 0.846 0.012 A 29 THR C C 13 174.836 0.003 A 29 THR CA C 13 61.926 0.217 A 29 THR CB C 13 67.869 0.149 A 29 THR CG2 C 13 21.246 0.095 A 29 THR N N 15 106.702 0.035 A 30 THR H H 1 7.435 0.002 A 30 THR HA H 1 4.927 0.02 A 30 THR HB H 1 4.237 0.016 A 30 THR HG2% H 1 1.174 0.017 A 30 THR C C 13 175.48 0.016 A 30 THR CA C 13 57.987 0.061 A 30 THR CB C 13 71.159 0.132 A 30 THR CG2 C 13 21.539 0.019 A 30 THR N N 15 111.456 0.057 A 31 ARG H H 1 10.328 0.013 A 31 ARG HA H 1 5.141 0.014 A 31 ARG HBx H 1 2.298 0.015 A 31 ARG C C 13 174.739 0.002 A 31 ARG CA C 13 53.506 0.082 A 31 ARG CB C 13 32.65 0.174 A 31 ARG N N 15 126.096 0.056 A 32 TRP H H 1 7.485 0.001 A 32 TRP HA H 1 4.669 0.023 A 32 TRP HBy H 1 3.174 0.021 A 32 TRP HBx H 1 2.678 0.017 A 32 TRP HD1 H 1 7.51 0.006 A 32 TRP HE1 H 1 9.999 0.004 A 32 TRP HZ2 H 1 7.075 0.01 A 32 TRP C C 13 177.428 0.033 A 32 TRP CA C 13 56.017 0.134 A 32 TRP CB C 13 30.256 0.136 A 32 TRP CD1 C 13 127.345 0.095 A 32 TRP CZ2 C 13 114.498 0.046 A 32 TRP N N 15 118.961 0.079 A 32 TRP NE1 N 15 130.253 0.028 A 33 ALA H H 1 7.753 0.003 A 33 ALA HA H 1 4.014 0.02 A 33 ALA HB% H 1 0.654 0.015 A 33 ALA C C 13 174.704 0.004 A 33 ALA CA C 13 51.308 0.082 A 33 ALA CB C 13 21.575 0.123 A 33 ALA N N 15 135.712 0.032 A 34 SER H H 1 7.811 0.002 A 34 SER HA H 1 4.051 0.012 A 34 SER HBy H 1 3.784 0.014 A 34 SER HBx H 1 3.417 0.01 A 34 SER C C 13 173.182 0.002 A 34 SER CA C 13 57.231 0.137 A 34 SER CB C 13 65.996 0.184 A 34 SER N N 15 117.328 0.044 A 35 ALA H H 1 8.292 0.001 A 35 ALA HA H 1 4.064 0.013 A 35 ALA HB% H 1 1.176 0.017 A 35 ALA C C 13 179.335 0.04 A 35 ALA CA C 13 52.738 0.052 A 35 ALA CB C 13 18.196 0.08 A 35 ALA N N 15 118.691 0.06 A 36 GLU H H 1 8.949 0.001 A 36 GLU HA H 1 3.666 0.009 A 36 GLU HBx H 1 1.703 0.016 A 36 GLU HGx H 1 2.046 0.015 A 36 GLU C C 13 176.954 0.008 A 36 GLU CA C 13 56.426 0.096 A 36 GLU CB C 13 31.257 0.068 A 36 GLU CG C 13 36.21 0.128 A 36 GLU N N 15 123.701 0.034 A 37 GLY H H 1 7.354 0.001 A 37 GLY HAy H 1 3.815 0.13 A 37 GLY HAx H 1 3.55 0.132 A 37 GLY C C 13 173.848 0.006 A 37 GLY CA C 13 46.367 0.196 A 37 GLY N N 15 107.322 0.045 A 38 VAL H H 1 8.136 0.002 A 38 VAL HA H 1 4.248 0.012 A 38 VAL HB H 1 1.301 0.012 A 38 VAL HGx% H 1 0.689 0.011 A 38 VAL HGy% H 1 0.725 0.004 A 38 VAL C C 13 174.413 0.005 A 38 VAL CA C 13 61.692 0.061 A 38 VAL CB C 13 36.049 0.081 A 38 VAL CG1 C 13 20.406 0.224 A 38 VAL N N 15 118.967 0.086 A 39 ASP H H 1 8.956 0 A 39 ASP HA H 1 5.962 0.005 A 39 ASP HBy H 1 2.693 0.015 A 39 ASP HBx H 1 2.312 0.028 A 39 ASP C C 13 173.693 0 A 39 ASP CA C 13 51.786 0.067 A 39 ASP CB C 13 43.872 0.095 A 39 ASP N N 15 129.581 0.08 A 40 PRO HA H 1 4.79 0.022 A 40 PRO HBy H 1 2.212 0.025 A 40 PRO HBx H 1 1.577 0.009 A 40 PRO HDy H 1 3.495 0.02 A 40 PRO HDx H 1 3.407 0.001 A 40 PRO HGy H 1 2.02 0.007 A 40 PRO HGx H 1 1.562 0.012 A 40 PRO C C 13 175.779 0 A 40 PRO CA C 13 62.984 0.06 A 40 PRO CB C 13 37.33 0.047 A 40 PRO CD C 13 50.072 0.034 A 40 PRO CG C 13 23.571 0.02 A 41 GLN H H 1 8.029 0.001 A 41 GLN HA H 1 4.147 0.015 A 41 GLN HB2 H 1 2.686 0.019 A 41 GLN HE2y H 1 7.762 0.013 A 41 GLN HE2x H 1 6.912 0.005 A 41 GLN HG2 H 1 1.278 0.014 A 41 GLN C C 13 172.67 0.008 A 41 GLN CA C 13 54.084 0.151 A 41 GLN CB C 13 30.534 0.197 A 41 GLN N N 15 112.108 0.046 A 41 GLN NE2 N 15 116.968 0.046 A 42 TRP H H 1 8.922 0 A 42 TRP HA H 1 5.43 0.014 A 42 TRP HBy H 1 3.282 0.011 A 42 TRP HBx H 1 3.039 0.008 A 42 TRP HD1 H 1 7.045 0.021 A 42 TRP HE1 H 1 10.353 0.005 A 42 TRP HZ2 H 1 7.429 0.006 A 42 TRP C C 13 173.365 0.01 A 42 TRP CA C 13 54.11 0.12 A 42 TRP CB C 13 34.017 0.177 A 42 TRP CD1 C 13 119.8 0.131 A 42 TRP CZ2 C 13 115.319 0.048 A 42 TRP N N 15 113.33 0.057 A 42 TRP NE1 N 15 131.24 0.016 A 43 ILE H H 1 8.555 0.002 A 43 ILE HA H 1 4.846 0.012 A 43 ILE HB H 1 0.191 0.02 A 43 ILE HD1% H 1 0.078 0.017 A 43 ILE HG2% H 1 0.514 0.014 A 43 ILE C C 13 172.836 0.008 A 43 ILE CA C 13 59.434 0.178 A 43 ILE CB C 13 39.824 0.145 A 43 ILE CD1 C 13 15.056 0.079 A 43 ILE CG1 C 13 27.83 0.057 A 43 ILE CG2 C 13 14.903 0.026 A 43 ILE N N 15 115.853 0.045 A 44 TYR H H 1 9.662 0.001 A 44 TYR HA H 1 6.139 0.011 A 44 TYR HBy H 1 3.313 0.012 A 44 TYR HBx H 1 2.289 0.009 A 44 TYR C C 13 171.256 0.001 A 44 TYR CA C 13 55.118 0.066 A 44 TYR CB C 13 43.903 0.255 A 44 TYR N N 15 124.145 0.033 A 45 VAL H H 1 8.608 0 A 45 VAL HA H 1 4.482 0.014 A 45 VAL HB H 1 0.839 0.023 A 45 VAL HGx% H 1 0.024 0.014 A 45 VAL HGy% H 1 0.4 0.094 A 45 VAL C C 13 172.163 0.003 A 45 VAL CA C 13 57.534 0.117 A 45 VAL CB C 13 34.363 0.112 A 45 VAL CG1 C 13 22.483 0.092 A 45 VAL CG2 C 13 17.085 0.061 A 45 VAL N N 15 117.495 0.048 A 46 ASN H H 1 7.925 0.001 A 46 ASN HA H 1 4.754 0.027 A 46 ASN HBy H 1 3.085 0.016 A 46 ASN HBx H 1 2.654 0.026 A 46 ASN HD2y H 1 7.427 0.003 A 46 ASN HD2x H 1 6.553 0.005 A 46 ASN C C 13 175.542 0.023 A 46 ASN CA C 13 50.398 0.126 A 46 ASN CB C 13 39.072 0.123 A 46 ASN N N 15 124.23 0.041 A 46 ASN ND2 N 15 106.991 0.024 A 47 LEU H H 1 9.342 0.002 A 47 LEU HA H 1 3.743 0.014 A 47 LEU HBy H 1 1.941 0.023 A 47 LEU HBx H 1 1.463 0.017 A 47 LEU HDx% H 1 0.61 0.016 A 47 LEU HDy% H 1 0.407 0.012 A 47 LEU HG H 1 0.934 0.022 A 47 LEU C C 13 178.398 0 A 47 LEU CA C 13 56.134 0.125 A 47 LEU CB C 13 41.177 0.117 A 47 LEU CD1 C 13 25.771 0.073 A 47 LEU CD2 C 13 22.016 0.079 A 47 LEU CG C 13 22.869 0 A 47 LEU N N 15 122.386 0.049 A 48 GLY H H 1 8.658 0 A 48 GLY HAy H 1 4.22 0.015 A 48 GLY HAx H 1 3.193 0.009 A 48 GLY C C 13 173.027 0.007 A 48 GLY CA C 13 45.524 0.089 A 48 GLY N N 15 108.598 0.05 A 49 SER H H 1 7.352 0 A 49 SER HA H 1 4.231 0.015 A 49 SER HBy H 1 3.904 0.016 A 49 SER HBx H 1 3.692 0.01 A 49 SER C C 13 172.665 0.008 A 49 SER CA C 13 56.455 0.137 A 49 SER CB C 13 63.761 0.148 A 49 SER N N 15 112.064 0.027 A 50 SER H H 1 8.505 0 A 50 SER HA H 1 4.075 0.015 A 50 SER HB2 H 1 3.506 0.009 A 50 SER HB3 H 1 3.506 0.009 A 50 SER C C 13 174.126 0 A 50 SER CA C 13 60.094 0.094 A 50 SER CB C 13 62.292 0.073 A 50 SER N N 15 116.218 0.051 A 51 GLN H H 1 8.779 0.01 A 51 GLN HA H 1 4.593 0.02 A 51 GLN HBy H 1 1.978 0.016 A 51 GLN HBx H 1 1.685 0.017 A 51 GLN HE2y H 1 7.047 0.007 A 51 GLN HE2x H 1 6.241 0.005 A 51 GLN HG2 H 1 2.311 0.018 A 51 GLN C C 13 174.156 0.001 A 51 GLN CA C 13 53.574 0.138 A 51 GLN CB C 13 32.895 0.062 A 51 GLN N N 15 126.06 0.056 A 51 GLN NE2 N 15 110.073 0.01 A 52 THR H H 1 8.377 0 A 52 THR HA H 1 4.384 0.008 A 52 THR HB H 1 3.914 0.007 A 52 THR HG2% H 1 1.054 0.018 A 52 THR C C 13 173.559 0.012 A 52 THR CA C 13 63.813 0.11 A 52 THR CB C 13 68.69 0.096 A 52 THR CG2 C 13 22.56 0.148 A 52 THR N N 15 118.237 0.074 A 53 VAL H H 1 8.931 0.002 A 53 VAL HA H 1 4.671 0.016 A 53 VAL HB H 1 1.989 0.019 A 53 VAL HG1% H 1 0.838 0.006 A 53 VAL C C 13 174.466 0.008 A 53 VAL CA C 13 59.756 0.162 A 53 VAL CB C 13 35.853 0.15 A 53 VAL CG1 C 13 21.067 0.136 A 53 VAL N N 15 121.529 0.031 A 54 ASN H H 1 9.261 0 A 54 ASN HA H 1 4.006 0.024 A 54 ASN HBy H 1 3.225 0.01 A 54 ASN HBx H 1 2.226 0.019 A 54 ASN HD2y H 1 6.971 0.008 A 54 ASN HD2x H 1 6.16 0.01 A 54 ASN C C 13 172.658 0.003 A 54 ASN CA C 13 52.037 0.117 A 54 ASN CB C 13 40.372 0.046 A 54 ASN N N 15 119.064 0.058 A 54 ASN ND2 N 15 108.231 0.02 A 55 ARG H H 1 7.478 0 A 55 ARG HA H 1 5.133 0.014 A 55 ARG HBy H 1 1.674 0.017 A 55 ARG HBx H 1 1.365 0.01 A 55 ARG C C 13 174.31 0.008 A 55 ARG CA C 13 54.62 0.098 A 55 ARG CB C 13 33.04 0.061 A 55 ARG N N 15 120.216 0.041 A 56 VAL H H 1 9.176 0.002 A 56 VAL HA H 1 5.197 0.02 A 56 VAL HB H 1 1.852 0.014 A 56 VAL HG1% H 1 0.848 0.027 A 56 VAL C C 13 173.071 0 A 56 VAL CA C 13 59.757 0.128 A 56 VAL CB C 13 37.118 0.127 A 56 VAL CG1 C 13 21.699 0.133 A 56 VAL N N 15 125.73 0.068 A 57 LYS H H 1 8.74 0.007 A 57 LYS HA H 1 5.346 0.015 A 57 LYS HBy H 1 1.829 0.029 A 57 LYS HBx H 1 1.531 0.012 A 57 LYS C C 13 174.595 0 A 57 LYS CA C 13 54.429 0.087 A 57 LYS CB C 13 36.085 0.111 A 57 LYS CG C 13 25.022 0 A 57 LYS N N 15 125.83 0.062 A 58 LEU H H 1 9.246 0.002 A 58 LEU HA H 1 4.502 0.017 A 58 LEU HBx H 1 1.499 0.016 A 58 LEU HD1% H 1 -0.125 0.014 A 58 LEU HD2% H 1 0.521 0.014 A 58 LEU C C 13 174.073 0 A 58 LEU CA C 13 52.442 0.087 A 58 LEU CB C 13 42.691 0.062 A 58 LEU CD1 C 13 23.091 0.061 A 58 LEU CD2 C 13 25.756 0 A 58 LEU N N 15 126.897 0.083 A 59 ASN H H 1 8.097 0 A 59 ASN HA H 1 5.013 0.024 A 59 ASN HBy H 1 2.919 0.102 A 59 ASN HBx H 1 2.503 0.02 A 59 ASN HD2y H 1 7.164 0.005 A 59 ASN HD2x H 1 6.544 0.005 A 59 ASN C C 13 174.758 0 A 59 ASN CA C 13 51.085 0.272 A 59 ASN CB C 13 38.619 0.077 A 59 ASN N N 15 120.859 0.089 A 59 ASN ND2 N 15 106.768 0.033 A 60 TRP H H 1 8.67 0.001 A 60 TRP HA H 1 4.621 0.009 A 60 TRP HBy H 1 3.797 0.093 A 60 TRP HBx H 1 3.504 0.007 A 60 TRP HD1 H 1 7.194 0.008 A 60 TRP HE1 H 1 9.471 0.005 A 60 TRP C C 13 177.084 0.023 A 60 TRP CA C 13 58.412 0.144 A 60 TRP CB C 13 30.28 0.089 A 60 TRP CD1 C 13 129.626 0.069 A 60 TRP N N 15 124.216 0.056 A 60 TRP NE1 N 15 129.517 0.007 A 61 GLU H H 1 7.73 0.003 A 61 GLU HA H 1 4.533 0.014 A 61 GLU HB2 H 1 1.767 0.016 A 61 GLU C C 13 175.764 0.008 A 61 GLU CA C 13 55.746 0.066 A 61 GLU CB C 13 27.363 0.171 A 61 GLU N N 15 122.716 0.051 A 62 ALA H H 1 6.711 0.001 A 62 ALA HA H 1 3.936 0.01 A 62 ALA HB% H 1 1.329 0.013 A 62 ALA C C 13 177.815 0.01 A 62 ALA CA C 13 55.452 0.084 A 62 ALA CB C 13 18.195 0.115 A 62 ALA N N 15 121.043 0.017 A 63 ALA H H 1 8.141 0.001 A 63 ALA HA H 1 4.333 0.01 A 63 ALA HB% H 1 0.914 0.009 A 63 ALA C C 13 173.854 0.006 A 63 ALA CA C 13 50.74 0.089 A 63 ALA CB C 13 16.07 0.111 A 63 ALA N N 15 119.356 0.064 A 64 TYR H H 1 7.02 0 A 64 TYR HB2 H 1 2.69 0 A 64 TYR C C 13 175.59 0 A 64 TYR CA C 13 54.955 0 A 64 TYR CB C 13 40.225 0 A 64 TYR N N 15 117.874 0.064 A 65 ALA HA H 1 4.501 0.007 A 65 ALA HB% H 1 1.37 0.015 A 65 ALA C C 13 175.079 0 A 65 ALA CA C 13 50.088 0.073 A 65 ALA CB C 13 20.945 0.082 A 66 SER H H 1 8.451 0.002 A 66 SER HA H 1 4.539 0.035 A 66 SER HBy H 1 3.778 0.106 A 66 SER HBx H 1 3.341 0.017 A 66 SER C C 13 175.808 0 A 66 SER CA C 13 58.711 0.175 A 66 SER CB C 13 64.127 0.228 A 66 SER N N 15 119.198 0.068 A 67 SER H H 1 7.618 0.001 A 67 SER HA H 1 5.699 0.016 A 67 SER HB2 H 1 3.818 0 A 67 SER C C 13 173.377 0.016 A 67 SER CA C 13 57.352 0.122 A 67 SER CB C 13 64.877 0.038 A 67 SER N N 15 115.7 0.09 A 68 TYR H H 1 8.074 0.001 A 68 TYR HA H 1 5.84 0.015 A 68 TYR HB2 H 1 3.139 0.013 A 68 TYR C C 13 172.865 0 A 68 TYR CA C 13 57.11 0.156 A 68 TYR CB C 13 39.758 0.033 A 68 TYR N N 15 120.108 0.063 A 69 THR H H 1 9.367 0.005 A 69 THR HA H 1 5.302 0.015 A 69 THR HB H 1 4.173 0.011 A 69 THR HG2% H 1 1.29 0.028 A 69 THR C C 13 175.195 0 A 69 THR CA C 13 58.749 0.145 A 69 THR CB C 13 72.999 0.094 A 69 THR CG2 C 13 22.333 0.202 A 69 THR N N 15 107.357 0.008 A 70 ILE H H 1 8.549 0.006 A 70 ILE HA H 1 5.247 0.019 A 70 ILE HB H 1 1.691 0.013 A 70 ILE HD11 H 1 0.878 0.012 A 70 ILE HD12 H 1 0.878 0.012 A 70 ILE HD13 H 1 0.878 0.012 A 70 ILE HG1y H 1 1.857 0.013 A 70 ILE HG1x H 1 1.572 0.006 A 70 ILE HG21 H 1 0.708 0.012 A 70 ILE HG22 H 1 0.708 0.012 A 70 ILE HG23 H 1 0.708 0.012 A 70 ILE C C 13 175.92 0.005 A 70 ILE CA C 13 59.062 0.144 A 70 ILE CB C 13 38.384 0.205 A 70 ILE CD1 C 13 12.738 0.11 A 70 ILE CG1 C 13 27.612 0.126 A 70 ILE CG2 C 13 17.368 0.167 A 70 ILE N N 15 118.381 0.041 A 71 GLN H H 1 9.583 0.002 A 71 GLN HA H 1 5.612 0.015 A 71 GLN HBy H 1 1.902 0.015 A 71 GLN HBx H 1 1.548 0.038 A 71 GLN HE2y H 1 6.745 0.006 A 71 GLN HE2x H 1 6.45 0.007 A 71 GLN C C 13 174.938 0.001 A 71 GLN CA C 13 52.667 0.06 A 71 GLN CB C 13 34.444 0.045 A 71 GLN N N 15 125.82 0.064 A 71 GLN NE2 N 15 111.188 0.094 A 72 VAL H H 1 9.233 0.002 A 72 VAL HA H 1 5.842 0.01 A 72 VAL HB H 1 2.311 0.013 A 72 VAL HGx% H 1 0.82 0.012 A 72 VAL HGy% H 1 0.733 0.009 A 72 VAL C C 13 175.202 0.032 A 72 VAL CA C 13 58.193 0.194 A 72 VAL CB C 13 35.393 0.104 A 72 VAL CGy C 13 21.133 0.086 A 72 VAL CGx C 13 18.21 0.039 A 72 VAL N N 15 111.45 0.024 A 73 SER H H 1 8.487 0.002 A 73 SER HBy H 1 2.529 0.028 A 73 SER HBx H 1 2.408 0.026 A 73 SER C C 13 175.089 0 A 73 SER CA C 13 56.738 0 A 73 SER CB C 13 65.268 0.084 A 73 SER N N 15 113.642 0.031 A 74 ASN H H 1 9.395 0 A 74 ASN HA H 1 5.148 0.011 A 74 ASN HBy H 1 2.74 0.011 A 74 ASN HBx H 1 2.323 0.013 A 74 ASN HD2y H 1 7.404 0.004 A 74 ASN HD2x H 1 6.62 0.009 A 74 ASN C C 13 174.263 0 A 74 ASN CA C 13 51.973 0.146 A 74 ASN CB C 13 39.943 0.035 A 74 ASN N N 15 129.742 0 A 74 ASN ND2 N 15 111.257 0.058 A 75 ASP H H 1 7.778 0.001 A 75 ASP HA H 1 4.176 0.008 A 75 ASP HBy H 1 2.44 0.013 A 75 ASP HBx H 1 1.829 0.016 A 75 ASP C C 13 174.62 0.002 A 75 ASP CA C 13 55.49 0.093 A 75 ASP CB C 13 41.297 0.071 A 75 ASP N N 15 121.858 0.017 A 76 SER H H 1 8.194 0 A 76 SER HA H 1 4.133 0.007 A 76 SER HB2 H 1 3.708 0.009 A 76 SER C C 13 176.492 0 A 76 SER CA C 13 59.527 0.091 A 76 SER CB C 13 63.383 0.096 A 76 SER N N 15 113.122 0.044 A 77 GLY HAy H 1 4.154 0.003 A 77 GLY HAx H 1 3.5 0.01 A 77 GLY C C 13 173.383 0 A 77 GLY CA C 13 43.592 0.081 A 77 GLY N N 15 111.661 0.072 A 78 THR H H 1 8.203 0.001 A 78 THR HA H 1 3.896 0.015 A 78 THR HG2% H 1 0.997 0.005 A 78 THR C C 13 172.858 0 A 78 THR CA C 13 60.685 0.1 A 78 THR CB C 13 69.159 0.195 A 78 THR CG2 C 13 21.655 0.119 A 78 THR N N 15 121.326 0.052 A 79 PRO HA H 1 3.764 0.014 A 79 PRO HBx H 1 0.047 0.009 A 79 PRO HBy H 1 0.283 0.017 A 79 PRO HDy H 1 3.223 0.011 A 79 PRO HDx H 1 2.461 0.01 A 79 PRO HGx H 1 -0.156 0.012 A 79 PRO C C 13 176.447 0 A 79 PRO CA C 13 62.643 0.023 A 79 PRO CB C 13 31.065 0.126 A 79 PRO CD C 13 49.945 0.066 A 79 PRO CG C 13 27.817 0.003 A 80 THR HA H 1 3.96 0.008 A 80 THR HB H 1 3.798 0.005 A 80 THR HG2% H 1 0.812 0.008 A 80 THR C C 13 172.93 0.007 A 80 THR CA C 13 61.953 0.084 A 80 THR CB C 13 70.75 0.07 A 80 THR CG2 C 13 20.912 0.062 A 80 THR N N 15 114.651 0.046 A 81 ASN H H 1 8.899 0 A 81 ASN HA H 1 4.604 0.012 A 81 ASN HBy H 1 2.845 0.028 A 81 ASN HBx H 1 2.337 0.011 A 81 ASN HD2y H 1 8.42 0.005 A 81 ASN HD2x H 1 6.756 0.005 A 81 ASN C C 13 173.512 0.013 A 81 ASN CA C 13 52.92 0.113 A 81 ASN CB C 13 38.529 0.065 A 81 ASN N N 15 124.222 0.057 A 81 ASN ND2 N 15 118.597 0.014 A 82 TRP H H 1 8.418 0.001 A 82 TRP HA H 1 4.806 0.009 A 82 TRP HBy H 1 2.694 0.033 A 82 TRP HBx H 1 2.564 0.008 A 82 TRP HD1 H 1 6.621 0.027 A 82 TRP HE1 H 1 9.261 0.01 A 82 TRP HZ2 H 1 6.075 0.01 A 82 TRP C C 13 176.48 0.001 A 82 TRP CA C 13 54.971 0.098 A 82 TRP CB C 13 32.262 0.051 A 82 TRP CD1 C 13 128.07 0.077 A 82 TRP CZ2 C 13 114.216 0.04 A 82 TRP N N 15 125.083 0.045 A 82 TRP NE1 N 15 127.576 0 A 83 THR H H 1 9.573 0.002 A 83 THR HA H 1 4.48 0.014 A 83 THR HB H 1 3.815 0.017 A 83 THR HG2% H 1 0.976 0.015 A 83 THR C C 13 174.757 0.001 A 83 THR CA C 13 61.573 0.082 A 83 THR CB C 13 70.639 0.097 A 83 THR CG2 C 13 20.964 0 A 83 THR N N 15 121.069 0.029 A 84 THR H H 1 9.37 0.001 A 84 THR HA H 1 4.297 0.013 A 84 THR HB H 1 4.01 0.019 A 84 THR HG2% H 1 1.137 0.016 A 84 THR C C 13 174.367 0.056 A 84 THR CA C 13 64.66 0.141 A 84 THR CB C 13 68.832 0.112 A 84 THR CG2 C 13 22.857 0.151 A 84 THR N N 15 127.248 0.027 A 85 VAL H H 1 8.888 0.007 A 85 VAL HA H 1 4.432 0.006 A 85 VAL HB H 1 1.68 0.027 A 85 VAL HGx% H 1 0.542 0.01 A 85 VAL HGy% H 1 -0.353 0.013 A 85 VAL C C 13 174.667 0.008 A 85 VAL CA C 13 60.057 0.105 A 85 VAL CB C 13 32.756 0.068 A 85 VAL CGy C 13 22.076 0.05 A 85 VAL CGx C 13 16.972 0.054 A 85 VAL N N 15 119.647 0.027 A 86 TYR H H 1 7.469 0.002 A 86 TYR HA H 1 4.559 0.007 A 86 TYR HBy H 1 3.085 0.024 A 86 TYR HBx H 1 2.275 0.019 A 86 TYR HD1 H 1 6.969 0 A 86 TYR C C 13 172.366 0.009 A 86 TYR CA C 13 58.59 0.1 A 86 TYR CB C 13 41.875 0.094 A 86 TYR N N 15 121.833 0.018 A 87 THR H H 1 7.306 0.001 A 87 THR HA H 1 4.481 0.01 A 87 THR HB H 1 3.519 0.006 A 87 THR HG2% H 1 0.912 0.016 A 87 THR C C 13 171.293 0.007 A 87 THR CA C 13 60.423 0.093 A 87 THR CB C 13 71.245 0.116 A 87 THR CG2 C 13 20.172 0.068 A 87 THR N N 15 123.02 0.036 A 88 THR H H 1 8.001 0.002 A 88 THR HA H 1 4.519 0.013 A 88 THR HB H 1 3.785 0.015 A 88 THR HG2% H 1 0.472 0.099 A 88 THR C C 13 173.175 0 A 88 THR CA C 13 59.947 0.156 A 88 THR CB C 13 69.789 0.169 A 88 THR CG2 C 13 19.06 0.136 A 88 THR N N 15 117.844 0.042 A 89 THR H H 1 8.39 0.002 A 89 THR HA H 1 5.212 0.01 A 89 THR HB H 1 4.345 0.008 A 89 THR HG2% H 1 1.01 0.015 A 89 THR C C 13 176.356 0.006 A 89 THR CA C 13 61.745 0.131 A 89 THR CB C 13 69.234 0.177 A 89 THR CG2 C 13 20.868 0.03 A 89 THR N N 15 116.76 0.057 A 90 THR H H 1 8.78 0.002 A 90 THR HA H 1 4.511 0.018 A 90 THR HB H 1 4.515 0.012 A 90 THR HG2% H 1 0.973 0.005 A 90 THR C C 13 175.173 0.007 A 90 THR CA C 13 59.676 0.102 A 90 THR CB C 13 68.045 0.03 A 90 THR CG2 C 13 19.692 0.044 A 90 THR N N 15 116.127 0.027 A 91 GLY H H 1 9.469 0.009 A 91 GLY HAy H 1 4.088 0.079 A 91 GLY HAx H 1 3.849 0.011 A 91 GLY C C 13 173.549 0.001 A 91 GLY CA C 13 46.65 0.038 A 91 GLY N N 15 114.229 0.019 A 92 ASP H H 1 8.385 0.014 A 92 ASP C C 13 176.955 0.022 A 92 ASP CA C 13 51.594 0.01 A 92 ASP CB C 13 41.577 0 A 92 ASP N N 15 122.884 0.051 A 93 GLY H H 1 8.777 0.006 A 93 GLY CA C 13 44.205 0.126 A 93 GLY N N 15 112.363 0.072 A 94 GLY H H 1 9.085 0.011 A 94 GLY HA2 H 1 3.8 0.005 A 94 GLY HA3 H 1 3.8 0.005 A 94 GLY C C 13 173.068 0 A 94 GLY CA C 13 46.267 0.031 A 94 GLY N N 15 112.007 0 A 95 ILE H H 1 8.187 0.003 A 95 ILE HA H 1 5.095 0.017 A 95 ILE HB H 1 1.845 0.012 A 95 ILE HD1% H 1 0.715 0.021 A 95 ILE HG12 H 1 1.522 0.015 A 95 ILE HG13 H 1 1.522 0.015 A 95 ILE HG2% H 1 0.741 0.019 A 95 ILE C C 13 178.404 0.002 A 95 ILE CA C 13 59.473 0.097 A 95 ILE CB C 13 37.69 0.003 A 95 ILE CD1 C 13 11.265 0 A 95 ILE CG1 C 13 27.407 0 A 95 ILE CG2 C 13 17.879 0.003 A 95 ILE N N 15 123.384 0.04 A 96 ASP H H 1 9.348 0 A 96 ASP HA H 1 5.042 0.019 A 96 ASP HB2 H 1 2.89 0.041 A 96 ASP HB3 H 1 2.753 0.069 A 96 ASP C C 13 172.932 0.128 A 96 ASP CA C 13 53.388 0.05 A 96 ASP CB C 13 42.319 0.112 A 96 ASP N N 15 132.185 0.043 A 97 ASP H H 1 8.719 0.018 A 97 ASP HA H 1 5.018 0.02 A 97 ASP HB2 H 1 2.926 0.009 A 97 ASP HB3 H 1 2.029 0.013 A 97 ASP C C 13 174.747 0.077 A 97 ASP CA C 13 53.252 0.088 A 97 ASP CB C 13 41.628 0.11 A 97 ASP N N 15 126.099 0.132 A 98 ILE H H 1 9.102 0.002 A 98 ILE HA H 1 4.118 0.005 A 98 ILE HB H 1 1.796 0.014 A 98 ILE HD1% H 1 0.597 0.026 A 98 ILE HG12 H 1 0.905 0.01 A 98 ILE HG2% H 1 0.298 0.008 A 98 ILE C C 13 174.579 0.015 A 98 ILE CA C 13 59.974 0.104 A 98 ILE CB C 13 40.264 0.112 A 98 ILE CD1 C 13 13.463 0.128 A 98 ILE CG1 C 13 26.643 0.102 A 98 ILE CG2 C 13 18.278 0.056 A 98 ILE N N 15 128.341 0.024 A 99 THR H H 1 8.023 0 A 99 THR HA H 1 4.906 0.007 A 99 THR HB H 1 3.937 0.003 A 99 THR HG2% H 1 0.98 0.017 A 99 THR C C 13 173.509 0.006 A 99 THR CA C 13 60.227 0.088 A 99 THR CB C 13 70.791 0.105 A 99 THR CG2 C 13 21.314 0.094 A 99 THR N N 15 119.292 0.076 A 100 PHE H H 1 7.903 0.001 A 100 PHE HA H 1 4.983 0.01 A 100 PHE HBy H 1 3.264 0.014 A 100 PHE HBx H 1 3.015 0.031 A 100 PHE C C 13 174.61 0.005 A 100 PHE CA C 13 54.747 0.091 A 100 PHE CB C 13 40.57 0.081 A 100 PHE N N 15 121.124 0.033 A 101 THR H H 1 8.441 0.001 A 101 THR HA H 1 3.891 0.02 A 101 THR HB H 1 4.067 0.02 A 101 THR HG2% H 1 1.306 0.009 A 101 THR C C 13 174.578 0.013 A 101 THR CA C 13 64.474 0.104 A 101 THR CB C 13 68.935 0.085 A 101 THR CG2 C 13 22.647 0.057 A 101 THR N N 15 115.768 0.042 A 102 ALA H H 1 8.337 0 A 102 ALA HA H 1 4.539 0.019 A 102 ALA HB% H 1 1.243 0.007 A 102 ALA C C 13 177.926 0.006 A 102 ALA CA C 13 52.97 0.188 A 102 ALA CB C 13 19.079 0.119 A 102 ALA N N 15 127.861 0.045 A 103 ARG H H 1 8.745 0.001 A 103 ARG HA H 1 4.709 0.028 A 103 ARG HBy H 1 1.917 0.01 A 103 ARG HBx H 1 1.667 0.019 A 103 ARG C C 13 174.675 0.016 A 103 ARG CA C 13 53.41 0.061 A 103 ARG CB C 13 34.341 0.07 A 103 ARG N N 15 119.005 0.017 A 104 THR H H 1 8.279 0.001 A 104 THR HA H 1 4.565 0.014 A 104 THR HB H 1 3.765 0.009 A 104 THR HG2% H 1 0.938 0.022 A 104 THR C C 13 173.874 0.005 A 104 THR CA C 13 62.153 0.099 A 104 THR CB C 13 69.089 0.083 A 104 THR CG2 C 13 21.227 0 A 104 THR N N 15 116.538 0.04 A 105 ALA H H 1 9.399 0.001 A 105 ALA HA H 1 4.297 0.012 A 105 ALA HB% H 1 1.221 0.009 A 105 ALA C C 13 174.269 0.001 A 105 ALA CA C 13 52.084 0.089 A 105 ALA CB C 13 23.219 0.107 A 105 ALA N N 15 128.042 0.036 A 106 LYS H H 1 8.236 0.003 A 106 LYS HA H 1 4.54 0.019 A 106 LYS HB2 H 1 1.352 0.041 A 106 LYS C C 13 173.191 0.013 A 106 LYS CA C 13 56.139 0.084 A 106 LYS CB C 13 35.637 0.052 A 106 LYS N N 15 120.268 0.035 A 107 TYR H H 1 8.135 0.001 A 107 TYR HA H 1 5.949 0.023 A 107 TYR HBy H 1 2.706 0.015 A 107 TYR HBx H 1 2.367 0.015 A 107 TYR C C 13 176.458 0 A 107 TYR CA C 13 54.605 0.058 A 107 TYR CB C 13 42.903 0.043 A 107 TYR N N 15 113.442 0.074 A 108 VAL H H 1 8.07 0.002 A 108 VAL HA H 1 5.155 0.019 A 108 VAL HB H 1 1.967 0.009 A 108 VAL C C 13 173.558 0.012 A 108 VAL CA C 13 61.185 0.093 A 108 VAL CB C 13 34.086 0.074 A 108 VAL N N 15 119.703 0.035 A 109 ARG H H 1 9.842 0.001 A 109 ARG HA H 1 5.602 0.01 A 109 ARG HBy H 1 1.09 0.015 A 109 ARG HBx H 1 0.869 0.05 A 109 ARG C C 13 174.925 0.001 A 109 ARG CA C 13 54.265 0.099 A 109 ARG CB C 13 38.293 0.082 A 109 ARG N N 15 128.122 0.021 A 110 VAL H H 1 8.842 0.003 A 110 VAL HA H 1 4.812 0.021 A 110 VAL HB H 1 1.612 0.012 A 110 VAL HGx% H 1 0.684 0.007 A 110 VAL HGy% H 1 0.297 0.014 A 110 VAL C C 13 173.649 0.001 A 110 VAL CA C 13 61.472 0.07 A 110 VAL CB C 13 33.138 0.1 A 110 VAL CG1 C 13 20.109 0.009 A 110 VAL CG2 C 13 23.234 0.028 A 110 VAL N N 15 125.108 0.04 A 111 HIS H H 1 8.992 0.002 A 111 HIS HA H 1 4.859 0.011 A 111 HIS HB2 H 1 1.66 0.004 A 111 HIS C C 13 173.563 0.011 A 111 HIS CA C 13 55.985 0.084 A 111 HIS N N 15 130.747 0.042 A 112 GLY H H 1 9.208 0 A 112 GLY HAy H 1 4.87 0.011 A 112 GLY HAx H 1 3.356 0.018 A 112 GLY C C 13 171.172 0 A 112 GLY CA C 13 44.66 0.086 A 112 GLY N N 15 113.865 0.015 A 113 THR H H 1 8.075 0.003 A 113 THR HA H 1 4.463 0.009 A 113 THR HB H 1 4.179 0.01 A 113 THR C C 13 175.039 0.025 A 113 THR CA C 13 61.597 0.112 A 113 THR CB C 13 70.428 0.066 A 113 THR CG2 C 13 22.769 0 A 113 THR N N 15 108.769 0.043 A 114 VAL H H 1 7.372 0.001 A 114 VAL HA H 1 4.36 0.009 A 114 VAL HB H 1 1.594 0.009 A 114 VAL HGx% H 1 0.761 0.043 A 114 VAL HGy% H 1 0.801 0.012 A 114 VAL C C 13 176.264 0.004 A 114 VAL CA C 13 61.492 0.08 A 114 VAL CB C 13 35.135 0.061 A 114 VAL CG1 C 13 20.989 0 A 114 VAL N N 15 119.373 0.041 A 115 ARG H H 1 8.744 0.011 A 115 ARG HA H 1 3.556 0.009 A 115 ARG HBy H 1 1.966 0.027 A 115 ARG HBx H 1 1.266 0.022 A 115 ARG HGy H 1 2.279 0.017 A 115 ARG HGx H 1 2.235 0.005 A 115 ARG C C 13 176.905 0.009 A 115 ARG CA C 13 55.927 0.089 A 115 ARG CB C 13 32.804 0.062 A 115 ARG CG C 13 31.464 0.011 A 115 ARG N N 15 128.637 0.049 A 116 GLY H H 1 7.658 0 A 116 GLY HAy H 1 3.698 0.015 A 116 GLY HAx H 1 2.168 0.025 A 116 GLY C C 13 172.007 0.032 A 116 GLY CA C 13 43.595 0.087 A 116 GLY N N 15 104.507 0.031 A 117 THR H H 1 6.925 0.001 A 117 THR HA H 1 4.696 0.008 A 117 THR HB H 1 4.043 0.015 A 117 THR HG2% H 1 0.982 0.035 A 117 THR C C 13 173.033 0 A 117 THR CA C 13 59.856 0.087 A 117 THR CB C 13 70.209 0.043 A 117 THR CG2 C 13 22.065 0 A 117 THR N N 15 109.59 0.027 A 118 PRO HA H 1 4.191 0.011 A 118 PRO HBy H 1 1.846 0.012 A 118 PRO HBx H 1 1.194 0.006 A 118 PRO HDx H 1 2.869 0.01 A 118 PRO HDy H 1 3.392 0.023 A 118 PRO C C 13 175.833 0 A 118 PRO CA C 13 61.883 0.256 A 118 PRO CB C 13 30.876 0.119 A 118 PRO CD C 13 50.51 0.081 A 119 TYR H H 1 7.144 0 A 119 TYR HA H 1 4.407 0.01 A 119 TYR HBy H 1 3.041 0.017 A 119 TYR HBx H 1 2.372 0.011 A 119 TYR C C 13 174.612 0 A 119 TYR CA C 13 56.432 0.074 A 119 TYR CB C 13 35.277 0.091 A 119 TYR N N 15 120.715 0.046 A 120 GLY H H 1 8.277 0.01 A 120 GLY HAy H 1 4.816 0.02 A 120 GLY HAx H 1 2.687 0.012 A 120 GLY C C 13 168.878 0 A 120 GLY CA C 13 44.621 0.092 A 120 GLY N N 15 116.695 0.109 A 121 TYR H H 1 7.562 0.001 A 121 TYR HA H 1 4.409 0.013 A 121 TYR HBx H 1 2.422 0.014 A 121 TYR C C 13 175.768 0.007 A 121 TYR CA C 13 56.115 0.152 A 121 TYR CB C 13 41.256 0.17 A 121 TYR N N 15 121.161 0.048 A 122 SER H H 1 8.781 0 A 122 SER HA H 1 4.617 0.013 A 122 SER HBy H 1 3.675 0.016 A 122 SER HBx H 1 3.135 0.011 A 122 SER C C 13 172.875 0.008 A 122 SER CA C 13 55.92 0.178 A 122 SER CB C 13 63.216 0.049 A 122 SER N N 15 112.696 0.076 A 123 LEU H H 1 7.514 0.002 A 123 LEU HA H 1 4.634 0.024 A 123 LEU HBy H 1 1.497 0.013 A 123 LEU HBx H 1 0.907 0.011 A 123 LEU HDx% H 1 0.454 0.01 A 123 LEU HDy% H 1 -0.609 0.014 A 123 LEU HG H 1 1.144 0.01 A 123 LEU C C 13 175.469 0.017 A 123 LEU CA C 13 53.204 0.086 A 123 LEU CB C 13 47.472 0.031 A 123 LEU CDy C 13 26.373 0.039 A 123 LEU CDx C 13 25.238 0.113 A 123 LEU CG C 13 26.664 0.036 A 123 LEU N N 15 126.041 0.077 A 124 TRP H H 1 8.807 0.002 A 124 TRP HA H 1 4.778 0.027 A 124 TRP HBy H 1 3.163 0.009 A 124 TRP HBx H 1 2.926 0.015 A 124 TRP HD1 H 1 6.84 0.005 A 124 TRP HE1 H 1 10.291 0.005 A 124 TRP HZ2 H 1 7.436 0.013 A 124 TRP C C 13 178.393 0.004 A 124 TRP CA C 13 58.067 0.123 A 124 TRP CB C 13 30.845 0.11 A 124 TRP CD1 C 13 129.168 0.037 A 124 TRP CZ2 C 13 114.638 0.198 A 124 TRP N N 15 122.342 0.059 A 124 TRP NE1 N 15 129.243 0.027 A 125 GLU H H 1 7.367 0.001 A 125 GLU HA H 1 4.645 0.026 A 125 GLU HB2 H 1 1.891 0.035 A 125 GLU HB3 H 1 1.966 0.002 A 125 GLU C C 13 173.385 0.009 A 125 GLU CA C 13 54.973 0.136 A 125 GLU CB C 13 38.347 0.083 A 125 GLU N N 15 115.477 0.06 A 126 PHE H H 1 8.355 0 A 126 PHE HA H 1 4.859 0.019 A 126 PHE HBy H 1 2.645 0.019 A 126 PHE HBx H 1 2.186 0.015 A 126 PHE C C 13 172.95 0.01 A 126 PHE CA C 13 53.533 0.084 A 126 PHE CB C 13 40.123 0.096 A 126 PHE N N 15 126.946 0.073 A 127 GLU H H 1 9.36 0.002 A 127 GLU HA H 1 4.708 0.029 A 127 GLU HBy H 1 2.131 0.012 A 127 GLU HBx H 1 1.548 0.037 A 127 GLU C C 13 175.637 0.033 A 127 GLU CA C 13 53.647 0.135 A 127 GLU CB C 13 33.264 0.058 A 127 GLU N N 15 124.159 0.053 A 128 VAL H H 1 7.254 0.001 A 128 VAL HA H 1 4.856 0.028 A 128 VAL HB H 1 1.511 0.043 A 128 VAL HG1% H 1 0.679 0.022 A 128 VAL C C 13 172.011 0.002 A 128 VAL CA C 13 61.199 0.128 A 128 VAL CB C 13 35.697 0.133 A 128 VAL CG1 C 13 20.846 0.068 A 128 VAL N N 15 119.897 0.069 A 129 TYR H H 1 9.254 0.002 A 129 TYR HA H 1 5.062 0.02 A 129 TYR HBy H 1 3.251 0.017 A 129 TYR HBx H 1 2.518 0.022 A 129 TYR C C 13 173.899 0.005 A 129 TYR CA C 13 56.202 0.07 A 129 TYR CB C 13 43.677 0.147 A 129 TYR N N 15 123.471 0.039 A 130 GLY H H 1 8.711 0.002 A 130 GLY HAy H 1 4.105 0.013 A 130 GLY HAx H 1 3.767 0 A 130 GLY C C 13 179.236 0 A 130 GLY CA C 13 46.375 0.048 A 130 GLY N N 15 114.537 0.073 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _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 5 ASN H A 6 LYS H 1.0 . 3.17 2 2 A 20 ALA H A 21 SER H 1.0 . 3.21 3 3 A 23 ALA H A 24 PHE H 1.0 . 2.99 4 4 A 6 LYS HA A 7 THR H 1.0 . 2.80 5 5 A 7 THR H A 6 LYS HBy 1.0 . 3.52 6 6 A 7 THR H A 6 LYS HBx 1.0 . 3.02 7 7 A 7 THR HA A 8 ALA H 1.0 . 2.59 8 8 A 8 ALA HA A 9 THR H 1.0 . 2.90 9 9 A 9 THR HA A 10 ALA H 1.0 . 2.65 10 10 A 10 ALA H A 9 THR HB 1.0 . 4.04 11 11 A 10 ALA HA A 11 SER H 1.0 . 3.14 12 12 A 13 ILE H A 12 SER HBx 1.0 . 3.24 13 13 A 13 ILE H A 12 SER HA 1.0 . 2.99 14 14 A 13 ILE H A 12 SER HBy 1.0 . 3.24 15 15 A 15 GLY H A 14 GLU HBy 1.0 . 4.20 16 16 A 15 GLY H A 14 GLU HBx 1.0 . 3.70 17 17 A 15 GLY H A 14 GLU HA 1.0 . 3.42 18 18 A 16 ALA H A 15 GLY HAy 1.0 . 3.46 19 19 A 16 ALA H A 15 GLY HAx 1.0 . 3.46 20 20 A 16 ALA HA A 17 GLY H 1.0 . 2.80 21 21 A 18 PHE H A 17 GLY HAy 1.0 . 3.55 22 22 A 30 THR HA A 31 ARG H 1.0 . 3.05 23 23 A 31 ARG H A 30 THR HB 1.0 . 3.55 24 24 A 31 ARG HA A 32 TRP H 1.0 . 2.99 25 25 A 35 ALA H A 34 SER HBx 1.0 . 3.64 26 26 A 35 ALA H A 34 SER HBy 1.0 . 3.64 27 27 A 35 ALA HA A 36 GLU H 1.0 . 2.74 28 28 A 36 GLU HA A 37 GLY H 1.0 . 3.05 29 29 A 38 VAL HA A 39 ASP H 1.0 . 2.74 30 30 A 41 GLN H A 40 PRO HBy 1.0 . 3.55 31 31 A 41 GLN H A 40 PRO HBx 1.0 . 3.55 32 32 A 41 GLN H A 40 PRO HA 1.0 . 3.36 33 33 A 41 GLN HA A 42 TRP H 1.0 . 3.24 34 34 A 43 ILE HA A 44 TYR H 1.0 . 3.11 35 35 A 45 VAL HA A 46 ASN H 1.0 . 3.02 36 36 A 46 ASN H A 45 VAL HB 1.0 . 2.96 37 37 A 48 GLY H A 47 LEU HBx 1.0 . 3.70 38 38 A 49 SER H A 49 SER HA 1.0 . 2.86 39 39 A 49 SER HA A 50 SER H 1.0 . 3.14 40 40 A 50 SER H A 49 SER HBy 1.0 . 3.58 41 41 A 50 SER H A 49 SER HBx 1.0 . 3.58 42 42 A 50 SER HA A 51 GLN H 1.0 . 3.02 43 43 A 51 GLN H A 50 SER HB2 1.0 . 4.96 44 43 A 51 GLN H A 50 SER HB3 1.0 . 4.96 45 44 A 51 GLN HA A 52 THR H 1.0 . 2.99 46 45 A 52 THR HA A 53 VAL H 1.0 . 2.83 47 46 A 55 ARG HA A 56 VAL H 1.0 . 2.83 48 47 A 56 VAL H A 55 ARG HBx 1.0 . 3.48 49 48 A 56 VAL HA A 57 LYS H 1.0 . 2.90 50 49 A 57 LYS HA A 58 LEU H 1.0 . 3.05 51 50 A 58 LEU HA A 59 ASN H 1.0 . 2.96 52 51 A 59 ASN HA A 60 TRP H 1.0 . 2.93 53 52 A 60 TRP HA A 61 GLU H 1.0 . 3.30 54 53 A 61 GLU HA A 62 ALA H 1.0 . 3.42 55 54 A 63 ALA HA A 64 TYR H 1.0 . 3.27 56 55 A 65 ALA HA A 66 SER H 1.0 . 3.08 57 56 A 66 SER HA A 67 SER H 1.0 . 3.45 58 57 A 67 SER H A 66 SER HBy 1.0 . 3.89 59 58 A 69 THR HA A 70 ILE H 1.0 . 2.96 60 59 A 70 ILE H A 69 THR HB 1.0 . 3.45 61 60 A 71 GLN H A 71 GLN HBx 1.0 . 4.08 62 61 A 71 GLN H A 70 ILE HA 1.0 . 2.83 63 62 A 71 GLN HA A 72 VAL H 1.0 . 2.96 64 63 A 72 VAL HA A 73 SER H 1.0 . 2.99 65 64 A 73 SER H A 72 VAL HB 1.0 . 2.93 66 65 A 79 PRO HA A 80 THR H 1.0 . 2.90 67 66 A 80 THR HB A 81 ASN H 1.0 . 3.30 68 67 A 81 ASN HA A 82 TRP H 1.0 . 3.08 69 68 A 84 THR HA A 85 VAL H 1.0 . 3.30 70 69 A 86 TYR HA A 87 THR H 1.0 . 2.99 71 70 A 87 THR HA A 88 THR H 1.0 . 2.93 72 71 A 88 THR HA A 89 THR H 1.0 . 2.99 73 72 A 89 THR H A 88 THR HB 1.0 . 3.17 74 73 A 89 THR HB A 90 THR H 1.0 . 4.36 75 74 A 90 THR HB A 91 GLY H 1.0 . 3.24 76 75 A 96 ASP HA A 97 ASP H 1.0 . 2.74 77 76 A 97 ASP HA A 98 ILE H 1.0 . 2.99 78 77 A 98 ILE HA A 99 THR H 1.0 . 2.68 79 78 A 99 THR HA A 100 PHE H 1.0 . 2.96 80 79 A 100 PHE HA A 101 THR H 1.0 . 2.90 81 80 A 101 THR H A 100 PHE HBy 1.0 . 3.61 82 81 A 101 THR H A 100 PHE HBx 1.0 . 3.11 83 82 A 101 THR HA A 102 ALA H 1.0 . 2.74 84 83 A 102 ALA HA A 103 ARG H 1.0 . 3.05 85 84 A 104 THR HA A 105 ALA H 1.0 . 2.96 86 85 A 105 ALA HA A 106 LYS H 1.0 . 3.27 87 86 A 108 VAL HA A 109 ARG H 1.0 . 2.96 88 87 A 109 ARG HA A 110 VAL H 1.0 . 3.21 89 88 A 110 VAL HA A 111 HIS H 1.0 . 3.17 90 89 A 114 VAL HA A 115 ARG H 1.0 . 3.14 91 90 A 115 ARG HA A 116 GLY H 1.0 . 3.24 92 91 A 121 TYR H A 120 GLY HAx 1.0 . 3.21 93 92 A 121 TYR H A 120 GLY HAy 1.0 . 3.71 94 93 A 121 TYR HA A 122 SER H 1.0 . 3.02 95 94 A 122 SER HA A 123 LEU H 1.0 . 3.33 96 95 A 124 TRP H A 123 LEU HBx 1.0 . 3.89 97 96 A 125 GLU H A 124 TRP HBy 1.0 . 3.45 98 97 A 125 GLU H A 124 TRP HBx 1.0 . 3.45 99 98 A 126 PHE HA A 127 GLU H 1.0 . 3.08 100 99 A 127 GLU HA A 128 VAL H 1.0 . 3.24 101 100 A 128 VAL HA A 129 TYR H 1.0 . 3.08 102 101 A 130 GLY H A 129 TYR HBy 1.0 . 3.67 103 102 A 130 GLY H A 129 TYR HA 1.0 . 2.96 104 103 A 1 ASN HA A 2 LEU H 1.0 . 3.14 105 104 A 3 ALA H A 2 LEU HBy 1.0 . 3.52 106 105 A 3 ALA H A 2 LEU HBx 1.0 . 3.52 107 106 A 2 LEU H A 3 ALA H 1.0 . 3.30 108 107 A 3 ALA H A 4 LEU H 1.0 . 3.02 109 108 A 9 THR H A 44 TYR H 1.0 . 3.48 110 109 A 11 SER H A 12 SER H 1.0 . 3.11 111 110 A 18 PHE H A 19 GLU H 1.0 . 2.96 112 111 A 24 PHE H A 25 ASP H 1.0 . 3.08 113 112 A 25 ASP H A 26 GLY H 1.0 . 2.96 114 113 A 26 GLY H A 27 SER H 1.0 . 3.08 115 114 A 29 THR H A 30 THR H 1.0 . 2.83 116 115 A 17 GLY H A 18 PHE H 1.0 . 2.68 117 116 A 11 SER H A 42 TRP H 1.0 . 3.52 118 117 A 44 TYR HA A 45 VAL H 1.0 . 3.24 119 118 A 48 GLY H A 47 LEU H 1.0 . 3.17 120 119 A 48 GLY H A 49 SER H 1.0 . 3.02 121 120 A 54 ASN H A 55 ARG H 1.0 . 2.59 122 121 A 66 SER H A 67 SER H 1.0 . 2.90 123 122 A 72 VAL H A 83 THR H 1.0 . 3.74 124 123 A 75 ASP H A 76 SER H 1.0 . 3.73 125 124 A 80 THR H A 81 ASN H 1.0 . 2.86 126 125 A 70 ILE H A 86 TYR H 1.0 . 3.39 127 126 A 85 VAL H A 86 TYR H 1.0 . 2.77 128 127 A 89 THR H A 90 THR H 1.0 . 3.02 129 128 A 90 THR H A 91 GLY H 1.0 . 3.21 130 129 A 102 ALA H A 103 ARG H 1.0 . 3.95 131 130 A 110 VAL H A 43 ILE H 1.0 . 3.76 132 131 A 113 THR H A 114 VAL H 1.0 . 2.96 133 132 A 116 GLY H A 117 THR H 1.0 . 3.42 134 133 A 124 TRP H A 125 GLU H 1.0 . 2.99 135 134 A 5 ASN H A 5 ASN HBy 1.0 . 4.29 136 135 A 83 THR HA A 84 THR H 1.0 . 3.02 137 136 A 92 ASP H A 91 GLY HAy 1.0 . 3.52 138 137 A 92 ASP H A 91 GLY HAx 1.0 . 3.52 139 138 A 16 ALA H A 17 GLY H 1.0 . 3.79 140 139 A 4 LEU H A 4 LEU HBy 1.0 . 3.11 141 140 A 5 ASN H A 4 LEU HA 1.0 . 2.96 142 141 A 2 LEU H A 2 LEU HBy 1.0 . 3.58 143 142 A 4 LEU H A 4 LEU HBx 1.0 . 3.11 144 143 A 7 THR H A 7 THR HA 1.0 . 2.80 145 144 A 22 ARG H A 22 ARG HBy 1.0 . 3.14 146 145 A 22 ARG H A 22 ARG HBx 1.0 . 3.14 147 146 A 6 LYS H A 6 LYS HBy 1.0 . 3.30 148 147 A 6 LYS H A 6 LYS HBx 1.0 . 3.30 149 148 A 9 THR H A 9 THR HB 1.0 . 3.21 150 149 A 11 SER H A 11 SER HBy 1.0 . 3.39 151 150 A 13 ILE HA A 14 GLU H 1.0 . 2.90 152 151 A 15 GLY H A 13 ILE HB 1.0 . 3.21 153 152 A 34 SER H A 34 SER HBx 1.0 . 4.05 154 153 A 39 ASP H A 39 ASP HBy 1.0 . 3.61 155 154 A 39 ASP H A 39 ASP HBx 1.0 . 3.61 156 155 A 45 VAL H A 44 TYR HBx 1.0 . 4.20 157 156 A 45 VAL H A 44 TYR HBy 1.0 . 3.70 158 157 A 46 ASN H A 46 ASN HBx 1.0 . 3.36 159 158 A 46 ASN H A 46 ASN HBy 1.0 . 3.36 160 159 A 47 LEU H A 47 LEU HBy 1.0 . 3.14 161 160 A 47 LEU H A 47 LEU HBx 1.0 . 3.64 162 161 A 49 SER H A 49 SER HBx 1.0 . 3.36 163 162 A 52 THR H A 52 THR HB 1.0 . 2.99 164 163 A 52 THR H A 51 GLN HBx 1.0 . 3.08 165 164 A 52 THR H A 51 GLN HBy 1.0 . 3.30 166 165 A 53 VAL H A 53 VAL HB 1.0 . 3.39 167 166 A 54 ASN H A 53 VAL HA 1.0 . 3.36 168 167 A 55 ARG H A 54 ASN HA 1.0 . 3.39 169 168 A 55 ARG HBx A 55 ARG H 1.0 . 3.33 170 169 A 57 LYS H A 57 LYS HBy 1.0 . 3.39 171 170 A 70 ILE H A 70 ILE HB 1.0 . 3.45 172 171 A 71 GLN H A 71 GLN HBy 1.0 . 3.58 173 172 A 75 ASP H A 75 ASP HBy 1.0 . 3.05 174 173 A 75 ASP H A 75 ASP HBx 1.0 . 3.05 175 174 A 81 ASN H A 81 ASN HBy 1.0 . 3.39 176 175 A 81 ASN H A 81 ASN HBx 1.0 . 3.39 177 176 A 82 TRP H A 82 TRP HBx 1.0 . 3.30 178 177 A 83 THR H A 83 THR HB 1.0 . 3.67 179 178 A 83 THR H A 82 TRP HA 1.0 . 3.17 180 179 A 83 THR H A 82 TRP HBx 1.0 . 3.58 181 180 A 86 TYR H A 86 TYR HBy 1.0 . 3.55 182 181 A 86 TYR H A 86 TYR HBx 1.0 . 4.05 183 182 A 87 THR H A 87 THR HB 1.0 . 3.24 184 183 A 98 ILE H A 98 ILE HB 1.0 . 3.11 185 184 A 100 PHE H A 100 PHE HBy 1.0 . 3.92 186 185 A 101 THR H A 101 THR HB 1.0 . 3.49 187 186 A 103 ARG H A 103 ARG HBy 1.0 . 3.48 188 187 A 103 ARG H A 103 ARG HBx 1.0 . 3.48 189 188 A 107 TYR H A 107 TYR HBx 1.0 . 3.92 190 189 A 107 TYR H A 107 TYR HBy 1.0 . 3.92 191 190 A 109 ARG H A 109 ARG HBy 1.0 . 3.21 192 191 A 109 ARG H A 109 ARG HBx 1.0 . 3.71 193 192 A 109 ARG H A 108 VAL HB 1.0 . 3.64 194 193 A 110 VAL H A 110 VAL HB 1.0 . 3.33 195 194 A 110 VAL H A 109 ARG HBx 1.0 . 3.83 196 195 A 114 VAL H A 114 VAL HB 1.0 . 3.42 197 196 A 115 ARG H A 115 ARG HBx 1.0 . 3.79 198 197 A 115 ARG H A 115 ARG HBy 1.0 . 3.79 199 198 A 117 THR H A 115 ARG HBy 1.0 . 3.45 200 199 A 117 THR H A 115 ARG HBx 1.0 . 3.95 201 200 A 119 TYR H A 119 TYR HBy 1.0 . 3.55 202 201 A 119 TYR H A 119 TYR HBx 1.0 . 3.55 203 202 A 123 LEU H A 123 LEU HBy 1.0 . 3.48 204 203 A 123 LEU H A 123 LEU HBx 1.0 . 3.98 205 204 A 124 TRP H A 124 TRP HBx 1.0 . 3.61 206 205 A 127 GLU H A 127 GLU HBx 1.0 . 3.58 207 206 A 128 VAL H A 128 VAL HB 1.0 . 3.55 208 207 A 129 TYR H A 129 TYR HBx 1.0 . 4.14 209 208 A 108 VAL HB A 108 VAL H 1.0 . 3.27 210 209 A 129 TYR H A 129 TYR HBy 1.0 . 4.14 211 210 A 18 PHE H A 18 PHE HBx 1.0 . 3.61 212 211 A 32 TRP H A 32 TRP HBy 1.0 . 3.27 213 212 A 53 VAL H A 52 THR HB 1.0 . 3.79 214 213 A 56 VAL H A 56 VAL HB 1.0 . 3.11 215 214 A 66 SER H A 66 SER HBy 1.0 . 3.70 216 215 A 89 THR H A 89 THR HB 1.0 . 3.30 217 216 A 90 THR H A 90 THR HB 1.0 . 3.39 218 217 A 104 THR H A 104 THR HB 1.0 . 3.11 219 218 A 124 TRP H A 124 TRP HBy 1.0 . 3.61 220 219 A 34 SER H A 34 SER HBy 1.0 . 3.55 221 220 A 32 TRP HA A 33 ALA H 1.0 . 3.39 222 221 A 43 ILE H A 42 TRP HA 1.0 . 3.17 223 222 A 60 TRP H A 60 TRP HBy 1.0 . 4.05 224 223 A 60 TRP H A 60 TRP HBx 1.0 . 4.05 225 224 A 72 VAL H A 71 GLN HBy 1.0 . 3.73 226 225 A 72 VAL H A 72 VAL HB 1.0 . 3.86 227 226 A 5 ASN H A 5 ASN HBx 1.0 . 3.79 228 227 A 124 TRP H A 123 LEU HA 1.0 . 3.30 229 228 A 105 ALA H A 104 THR HB 1.0 . 3.61 230 229 A 110 VAL H A 44 TYR HA 1.0 . 3.98 231 230 A 13 ILE H A 13 ILE HB 1.0 . 4.01 232 231 A 48 GLY H A 47 LEU HBy 1.0 . 3.70 233 232 A 49 SER H A 47 LEU H 1.0 . 4.29 234 233 A 49 SER H A 49 SER HBy 1.0 . 3.36 235 234 A 126 PHE H A 126 PHE HBx 1.0 . 3.33 236 235 A 126 PHE H A 126 PHE HBy 1.0 . 3.33 237 236 A 59 ASN H A 59 ASN HBx 1.0 . 3.86 238 237 A 59 ASN H A 59 ASN HBy 1.0 . 3.36 239 238 A 57 LYS H A 57 LYS HBx 1.0 . 3.36 240 239 A 16 ALA H A 16 ALA HA 1.0 . 2.80 241 240 A 18 PHE H A 18 PHE HBy 1.0 . 3.61 242 241 A 38 VAL H A 38 VAL HB 1.0 . 2.80 243 242 A 66 SER H A 66 SER HBx 1.0 . 3.70 244 243 A 100 PHE H A 100 PHE HBx 1.0 . 3.92 245 244 A 122 SER H A 122 SER HBy 1.0 . 3.64 246 245 A 98 ILE H A 97 ASP HB2 1.0 . 3.89 247 246 A 116 GLY H A 115 ARG HBx 1.0 . 4.23 248 247 A 130 GLY H A 129 TYR HBx 1.0 . 3.67 249 248 A 67 SER H A 66 SER HBx 1.0 . 3.89 250 249 A 96 ASP H A 96 ASP HB3 1.0 . 4.17 251 250 A 94 GLY H A 95 ILE H 1.0 . 4.14 252 251 A 72 VAL H A 71 GLN HBx 1.0 . 3.73 253 252 A 1 ASN H A 1 ASN HBy 1.0 . 3.48 254 253 A 1 ASN H A 1 ASN HBx 1.0 . 3.48 255 254 A 108 VAL H A 107 TYR HA 1.0 . 3.05 256 255 A 97 ASP H A 97 ASP HA 1.0 . 3.24 257 256 A 104 THR H A 103 ARG HA 1.0 . 2.83 258 257 A 29 THR H A 29 THR HB 1.0 . 3.95 259 258 A 55 ARG H A 55 ARG HBy 1.0 . 3.48 260 259 A 80 THR H A 80 THR HB 1.0 . 3.05 261 260 A 82 TRP H A 82 TRP HBy 1.0 . 3.11 262 261 A 84 THR H A 84 THR HB 1.0 . 3.89 263 262 A 87 THR H A 87 THR HA 1.0 . 2.93 264 263 A 88 THR H A 88 THR HB 1.0 . 3.73 265 264 A 96 ASP H A 96 ASP HB2 1.0 . 4.17 266 265 A 99 THR H A 99 THR HB 1.0 . 3.17 267 266 A 122 SER H A 122 SER HBx 1.0 . 3.64 268 267 A 127 GLU H A 127 GLU HBy 1.0 . 3.58 269 268 A 2 LEU H A 2 LEU HBx 1.0 . 3.58 270 269 A 1 ASN HA A 3 ALA H 1.0 . 3.98 271 270 A 5 ASN H A 4 LEU H 1.0 . 3.95 272 271 A 18 PHE H A 17 GLY HAx 1.0 . 3.55 273 272 A 32 TRP H A 32 TRP HBx 1.0 . 3.27 274 273 A 37 GLY H A 38 VAL H 1.0 . 3.52 275 274 A 62 ALA H A 63 ALA H 1.0 . 3.27 276 275 A 64 TYR H A 63 ALA H 1.0 . 3.61 277 276 A 71 GLN H A 70 ILE HB 1.0 . 4.17 278 277 A 84 THR H A 83 THR HB 1.0 . 3.67 279 278 A 98 ILE H A 97 ASP HB3 1.0 . 3.89 280 279 A 102 ALA H A 101 THR HB 1.0 . 3.89 281 280 A 110 VAL H A 109 ARG HBy 1.0 . 3.83 282 281 A 116 GLY H A 115 ARG HBy 1.0 . 4.23 283 282 A 124 TRP H A 123 LEU HBy 1.0 . 4.39 284 283 A 45 VAL H A 108 VAL H 1.0 . 3.55 285 284 A 15 GLY H A 14 GLU H 1.0 . 3.30 286 285 A 19 GLU H A 18 PHE HA 1.0 . 3.27 287 286 A 27 SER H A 25 ASP HBy 1.0 . 4.17 288 287 A 27 SER H A 25 ASP HBx 1.0 . 4.17 289 288 A 30 THR H A 29 THR HB 1.0 . 3.95 290 289 A 58 LEU H A 57 LYS HBx 1.0 . 3.79 291 290 A 88 THR H A 87 THR HB 1.0 . 4.01 292 291 A 108 VAL H A 107 TYR HBx 1.0 . 3.70 293 292 A 108 VAL H A 107 TYR HBy 1.0 . 3.70 294 293 A 126 PHE H A 125 GLU HA 1.0 . 3.11 295 294 A 41 GLN H A 112 GLY H 1.0 . 3.67 296 295 A 67 SER HA A 68 TYR H 1.0 . 2.65 297 296 A 70 ILE H A 87 THR HA 1.0 . 3.67 298 297 A 69 THR HA A 88 THR H 1.0 . 3.67 299 298 A 90 THR H A 67 SER HA 1.0 . 4.23 300 299 A 71 GLN H A 109 ARG H 1.0 . 3.48 301 300 A 73 SER H A 107 TYR H 1.0 . 3.30 302 301 A 51 GLN H A 105 ALA H 1.0 . 3.55 303 302 A 53 VAL H A 103 ARG H 1.0 . 3.36 304 303 A 57 LYS HA A 98 ILE H 1.0 . 3.61 305 304 A 42 TRP HA A 112 GLY H 1.0 . 3.83 306 305 A 112 GLY H A 111 HIS HA 1.0 . 3.30 307 306 A 47 LEU H A 46 ASN HA 1.0 . 3.08 308 307 A 58 LEU H A 97 ASP HA 1.0 . 3.58 309 308 A 71 GLN HA A 85 VAL H 1.0 . 3.83 310 309 A 41 GLN H A 113 THR HA 1.0 . 3.95 311 310 A 119 TYR HA A 120 GLY H 1.0 . 3.24 312 311 A 123 LEU H A 33 ALA HA 1.0 . 3.58 313 312 A 122 SER HA A 34 SER H 1.0 . 3.83 314 313 A 121 TYR H A 34 SER H 1.0 . 3.42 315 314 A 7 THR H A 46 ASN H 1.0 . 4.33 316 315 A 95 ILE H A 95 ILE HB 1.0 . 3.17 317 316 A 68 TYR H A 68 TYR HA 1.0 . 2.93 318 317 A 25 ASP H A 27 SER H 1.0 . 3.98 319 318 A 57 LYS H A 127 GLU H 1.0 . 3.39 320 319 A 71 GLN H A 110 VAL HA 1.0 . 3.92 321 320 A 70 ILE HA A 111 HIS H 1.0 . 3.95 322 321 A 111 HIS H A 69 THR H 1.0 . 3.89 323 322 A 72 VAL HA A 109 ARG H 1.0 . 3.67 324 323 A 113 THR H A 68 TYR HA 1.0 . 3.83 325 324 A 103 ARG H A 54 ASN HA 1.0 . 3.83 326 325 A 73 SER H A 108 VAL HA 1.0 . 3.73 327 326 A 107 TYR H A 74 ASN HA 1.0 . 3.67 328 327 A 86 TYR H A 85 VAL HA 1.0 . 3.39 329 328 A 49 SER H A 47 LEU HBx 1.0 . 3.30 330 329 A 49 SER H A 47 LEU HBy 1.0 . 3.30 331 330 A 11 SER H A 11 SER HBx 1.0 . 3.39 332 331 A 14 GLU H A 34 SER HA 1.0 . 3.55 333 332 A 25 ASP H A 24 PHE HA 1.0 . 3.45 334 333 A 45 VAL HB A 45 VAL H 1.0 . 3.98 335 334 A 67 SER H A 113 THR H 1.0 . 4.64 336 335 A 67 SER H A 114 VAL HA 1.0 . 4.08 337 336 A 71 GLN HA A 86 TYR H 1.0 . 4.42 338 337 A 7 THR H A 46 ASN HBx 1.0 . 4.94 339 338 A 7 THR H A 46 ASN HBy 1.0 . 4.94 340 339 A 13 ILE H A 13 ILE HG12 1.0 . 4.80 341 339 A 13 ILE H A 13 ILE HG13 1.0 . 4.80 342 340 A 81 ASN H A 81 ASN HD2y 1.0 . 5.19 343 341 A 81 ASN H A 81 ASN HD2x 1.0 . 5.19 344 342 A 61 GLU HA A 124 TRP HE1 1.0 . 3.95 345 343 A 11 SER H A 42 TRP HD1 1.0 . 4.95 346 344 A 67 SER H A 114 VAL HB 1.0 . 3.52 347 345 A 33 ALA H A 18 PHE HBx 1.0 . 4.10 348 346 A 33 ALA H A 18 PHE HBy 1.0 . 4.60 349 347 A 44 TYR H A 42 TRP HD1 1.0 . 4.35 350 348 A 13 ILE HA A 32 TRP HE1 1.0 . 4.48 351 349 A 18 PHE H A 18 PHE HD1 1.0 . 4.42 352 350 A 9 THR H A 8 ALA HB% 1.0 . 4.16 353 351 A 11 SER H A 10 ALA HB% 1.0 . 4.35 354 352 A 17 GLY H A 16 ALA HB% 1.0 . 4.44 355 353 A 21 SER H A 20 ALA HB% 1.0 . 4.29 356 354 A 24 PHE H A 23 ALA HB% 1.0 . 5.25 357 355 A 34 SER H A 33 ALA HB% 1.0 . 4.91 358 356 A 36 GLU H A 35 ALA HB% 1.0 . 4.29 359 357 A 63 ALA H A 62 ALA HB% 1.0 . 4.07 360 358 A 64 TYR H A 63 ALA HB% 1.0 . 4.63 361 359 A 66 SER H A 65 ALA HB% 1.0 . 5.06 362 360 A 103 ARG H A 102 ALA HB% 1.0 . 4.47 363 361 A 30 THR H A 30 THR HG2% 1.0 . 4.84 364 362 A 20 ALA H A 20 ALA HB% 1.0 . 4.04 365 363 A 23 ALA H A 23 ALA HB% 1.0 . 4.04 366 364 A 7 THR H A 8 ALA HB% 1.0 . 5.46 367 365 A 8 ALA H A 7 THR HG2% 1.0 . 4.60 368 366 A 13 ILE H A 13 ILE HD1% 1.0 . 5.31 369 367 A 16 ALA H A 16 ALA HB% 1.0 . 3.73 370 368 A 29 THR H A 29 THR HG2% 1.0 . 4.81 371 369 A 30 THR H A 29 THR HG2% 1.0 . 5.40 372 370 A 31 ARG H A 30 THR HG2% 1.0 . 4.60 373 371 A 35 ALA H A 35 ALA HB% 1.0 . 4.10 374 372 A 44 TYR H A 10 ALA HB% 1.0 . 4.41 375 373 A 44 TYR H A 43 ILE HG2% 1.0 . 5.00 376 374 A 44 TYR H A 43 ILE HD1% 1.0 . 5.37 377 375 A 46 ASN H A 45 VAL HGx% 1.0 . 5.56 378 376 A 47 LEU H A 47 LEU HDy% 1.0 . 5.37 379 377 A 48 GLY H A 47 LEU HDy% 1.0 . 6.33 380 378 A 52 THR H A 52 THR HG2% 1.0 . 4.69 381 379 A 53 VAL H A 52 THR HG2% 1.0 . 4.72 382 380 A 62 ALA H A 62 ALA HB% 1.0 . 3.85 383 381 A 70 ILE H A 69 THR HG2% 1.0 . 4.88 384 382 A 71 GLN H A 70 ILE HG21 1.0 . 4.47 385 383 A 73 SER H A 72 VAL HGy% 1.0 . 4.85 386 384 A 85 VAL H A 84 THR HG2% 1.0 . 4.94 387 385 A 85 VAL H A 85 VAL HGy% 1.0 . 5.50 388 386 A 86 TYR H A 85 VAL HGy% 1.0 . 5.59 389 387 A 87 THR H A 87 THR HG2% 1.0 . 4.63 390 388 A 88 THR H A 87 THR HG2% 1.0 . 4.32 391 389 A 89 THR H A 89 THR HG2% 1.0 . 4.50 392 390 A 90 THR H A 88 THR HG2% 1.0 . 5.71 393 391 A 91 GLY H A 88 THR HG2% 1.0 . 4.84 394 392 A 98 ILE H A 98 ILE HD1% 1.0 . 5.16 395 393 A 98 ILE H A 98 ILE HG2% 1.0 . 5.46 396 394 A 100 PHE H A 99 THR HG2% 1.0 . 4.91 397 395 A 101 THR H A 101 THR HG2% 1.0 . 4.84 398 396 A 105 ALA H A 104 THR HG2% 1.0 . 4.35 399 397 A 111 HIS H A 110 VAL HGx% 1.0 . 5.56 400 398 A 102 ALA H A 102 ALA HB% 1.0 . 3.57 401 399 A 104 THR H A 104 THR HG2% 1.0 . 4.19 402 400 A 63 ALA H A 63 ALA HB% 1.0 . 3.82 403 401 A 80 THR H A 80 THR HG2% 1.0 . 5.43 404 402 A 83 THR H A 83 THR HG2% 1.0 . 5.34 405 403 A 47 LEU H A 47 LEU HDx% 1.0 . 5.37 406 404 A 88 THR H A 88 THR HG2% 1.0 . 4.57 407 405 A 15 GLY H A 13 ILE HD1% 1.0 . 4.94 408 406 A 5 ASN H A 3 ALA HB% 1.0 . 5.15 409 407 A 111 HIS H A 110 VAL HGy% 1.0 . 5.56 410 408 A 46 ASN H A 45 VAL HGy% 1.0 . 5.56 411 409 A 7 THR H A 7 THR HG2% 1.0 . 4.63 412 410 A 9 THR H A 9 THR HG2% 1.0 . 4.63 413 411 A 3 ALA HB% A 5 ASN HD2x 1.0 . 5.90 414 412 A 3 ALA HB% A 5 ASN HD2y 1.0 . 5.90 415 413 A 43 ILE H A 43 ILE HD1% 1.0 . 5.81 416 414 A 4 LEU H A 3 ALA HB% 1.0 . 5.12 417 415 A 48 GLY H A 47 LEU HDx% 1.0 . 6.33 418 416 A 84 THR H A 83 THR HG2% 1.0 . 4.41 419 417 A 89 THR H A 88 THR HG2% 1.0 . 6.52 420 418 A 99 THR H A 98 ILE HD1% 1.0 . 5.31 421 419 A 73 SER H A 72 VAL HGx% 1.0 . 4.85 422 420 A 86 TYR H A 85 VAL HGx% 1.0 . 5.59 423 421 A 59 ASN H A 58 LEU HD2% 1.0 . 5.65 424 422 A 70 ILE H A 70 ILE HG21 1.0 . 5.59 425 423 A 70 ILE H A 70 ILE HD11 1.0 . 6.12 426 424 A 84 THR H A 84 THR HG2% 1.0 . 4.53 427 425 A 85 VAL H A 85 VAL HGx% 1.0 . 5.50 428 426 A 99 THR H A 98 ILE HG2% 1.0 . 4.69 429 427 A 95 ILE H A 95 ILE HG2% 1.0 . 5.28 430 428 A 59 ASN H A 58 LEU HD1% 1.0 . 5.65 431 429 A 96 ASP H A 95 ILE HG2% 1.0 . 4.97 432 430 A 97 ASP H A 95 ILE HG2% 1.0 . 5.25 433 431 A 32 TRP HE1 A 10 ALA HB% 1.0 . 4.07 434 432 A 87 THR H A 88 THR HG2% 1.0 . 6.05 435 433 A 51 GLN H A 104 THR HG2% 1.0 . 5.09 436 434 A 73 SER H A 105 ALA HB% 1.0 . 4.84 437 435 A 88 THR H A 69 THR HG2% 1.0 . 5.06 438 436 A 117 THR H A 117 THR HG2% 1.0 . 4.91 439 437 A 12 SER H A 10 ALA HB% 1.0 . 3.98 440 438 A 119 TYR H A 63 ALA HB% 1.0 . 5.50 441 439 A 126 PHE H A 23 ALA HB% 1.0 . 5.50 442 440 A 14 GLU H A 33 ALA HB% 1.0 . 5.56 443 441 A 5 ASN HA A 5 ASN HBy 1.0 . 2.96 444 442 A 5 ASN HA A 5 ASN HBx 1.0 . 2.96 445 443 A 28 SER HA A 28 SER HBx 1.0 . 2.83 446 444 A 28 SER HA A 28 SER HBy 1.0 . 2.83 447 445 A 29 THR HB A 29 THR HA 1.0 . 2.96 448 446 A 30 THR HA A 30 THR HB 1.0 . 2.99 449 447 A 45 VAL HA A 45 VAL HB 1.0 . 2.99 450 448 A 49 SER HA A 49 SER HBy 1.0 . 2.71 451 449 A 49 SER HA A 49 SER HBx 1.0 . 2.71 452 450 A 51 GLN HA A 51 GLN HBx 1.0 . 2.83 453 451 A 54 ASN HA A 54 ASN HBy 1.0 . 3.02 454 452 A 85 VAL HA A 85 VAL HB 1.0 . 2.80 455 453 A 88 THR HA A 88 THR HB 1.0 . 2.77 456 454 A 89 THR HB A 89 THR HA 1.0 . 2.83 457 455 A 99 THR HA A 99 THR HB 1.0 . 2.99 458 456 A 101 THR HA A 101 THR HB 1.0 . 2.90 459 457 A 103 ARG HA A 103 ARG HBx 1.0 . 2.86 460 458 A 103 ARG HA A 103 ARG HBy 1.0 . 2.86 461 459 A 104 THR HA A 104 THR HB 1.0 . 2.83 462 460 A 12 SER HA A 12 SER HBy 1.0 . 2.83 463 461 A 12 SER HA A 12 SER HBx 1.0 . 2.83 464 462 A 42 TRP HA A 111 HIS HA 1.0 . 3.89 465 463 A 69 THR HA A 87 THR HA 1.0 . 3.08 466 464 A 67 SER HA A 89 THR HA 1.0 . 2.86 467 465 A 68 TYR H A 89 THR HA 1.0 . 3.48 468 466 A 71 GLN HA A 84 THR HA 1.0 . 3.83 469 467 A 50 SER HA A 106 LYS HA 1.0 . 3.05 470 468 A 57 LYS HA A 97 ASP HA 1.0 . 3.17 471 469 A 31 ARG HA A 124 TRP HA 1.0 . 3.55 472 470 A 122 SER HA A 33 ALA HA 1.0 . 3.02 473 471 A 8 ALA HA A 45 VAL HA 1.0 . 3.08 474 472 A 102 ALA HA A 54 ASN HA 1.0 . 2.99 475 473 A 55 ARG HA A 99 THR HA 1.0 . 3.27 476 474 A 109 ARG HA A 44 TYR HA 1.0 . 3.67 477 475 A 107 TYR HA A 46 ASN HA 1.0 . 4.63 478 476 A 56 VAL HA A 128 VAL HA 1.0 . 3.39 479 477 A 40 PRO HA A 113 THR HA 1.0 . 3.24 480 478 A 70 ILE HA A 110 VAL HA 1.0 . 3.52 481 479 A 72 VAL HA A 108 VAL HA 1.0 . 3.55 482 480 A 68 TYR HA A 112 GLY HAy 1.0 . 3.98 483 481 A 68 TYR HA A 112 GLY HAx 1.0 . 3.98 484 482 A 36 GLU HA A 120 GLY HAy 1.0 . 3.11 485 483 A 65 ALA HA A 115 ARG HA 1.0 . 2.96 486 484 A 13 ILE HA A 34 SER HA 1.0 . 3.08 487 485 A 7 THR HA A 7 THR HB 1.0 . 2.90 488 486 A 79 PRO HA A 75 ASP HBy 1.0 . 3.36 489 487 A 79 PRO HA A 75 ASP HBx 1.0 . 3.86 490 488 A 54 ASN HA A 54 ASN HBx 1.0 . 3.02 491 489 A 14 GLU HA A 35 ALA HA 1.0 . 3.52 492 490 A 36 GLU HA A 120 GLY HAx 1.0 . 3.11 493 491 A 105 ALA HA A 74 ASN HA 1.0 . 3.39 494 492 A 4 LEU HA A 4 LEU HG 1.0 . 4.20 495 493 A 102 ALA HA A 54 ASN HBx 1.0 . 4.29 496 494 A 20 ALA HA A 32 TRP HD1 1.0 . 4.64 497 495 A 30 THR HB A 22 ARG HBx 1.0 . 3.98 498 496 A 30 THR HB A 22 ARG HBy 1.0 . 4.48 499 497 A 24 PHE HA A 24 PHE HD% 1.0 . 7.63 500 498 A 34 SER HA A 13 ILE HG12 1.0 . 5.70 501 498 A 34 SER HA A 13 ILE HG13 1.0 . 5.70 502 499 A 82 TRP HD1 A 73 SER HBy 1.0 . 4.85 503 500 A 82 TRP HD1 A 73 SER HBx 1.0 . 4.85 504 501 A 102 ALA HA A 54 ASN HBy 1.0 . 4.29 505 502 A 78 THR HA A 79 PRO HDy 1.0 . 3.52 506 503 A 117 THR HA A 118 PRO HDy 1.0 . 3.92 507 504 A 117 THR HA A 118 PRO HDx 1.0 . 3.92 508 505 A 78 THR HA A 79 PRO HDx 1.0 . 3.52 509 506 A 9 THR HB A 42 TRP HD1 1.0 . 5.69 510 507 A 129 TYR HA A 4 LEU HG 1.0 . 4.60 511 508 A 117 THR HB A 118 PRO HDx 1.0 . 3.92 512 509 A 117 THR HB A 118 PRO HDy 1.0 . 3.92 513 510 A 18 PHE HA A 18 PHE HD1 1.0 . 4.82 514 511 A 32 TRP HA A 18 PHE HD1 1.0 . 4.67 515 512 A 89 THR HB A 67 SER HA 1.0 . 4.66 516 513 A 3 ALA HA A 47 LEU HG 1.0 . 3.86 517 514 A 7 THR HA A 7 THR HG2% 1.0 . 4.04 518 515 A 9 THR HA A 9 THR HG2% 1.0 . 3.88 519 516 A 13 ILE HA A 13 ILE HD1% 1.0 . 5.59 520 517 A 29 THR HG2% A 29 THR HA 1.0 . 3.70 521 518 A 38 VAL HA A 38 VAL HGy% 1.0 . 3.73 522 519 A 38 VAL HA A 38 VAL HGx% 1.0 . 3.73 523 520 A 70 ILE HA A 70 ILE HD11 1.0 . 4.85 524 521 A 70 ILE HG21 A 70 ILE HD11 1.0 . 5.80 525 522 A 80 THR HG2% A 80 THR HA 1.0 . 3.67 526 523 A 83 THR HA A 83 THR HG2% 1.0 . 3.42 527 524 A 84 THR HA A 84 THR HG2% 1.0 . 4.01 528 525 A 87 THR HA A 87 THR HG2% 1.0 . 3.76 529 526 A 89 THR HG2% A 89 THR HA 1.0 . 3.91 530 527 A 90 THR HA A 90 THR HG2% 1.0 . 3.60 531 528 A 98 ILE HA A 98 ILE HD1% 1.0 . 4.44 532 529 A 98 ILE HD1% A 98 ILE HG2% 1.0 . 5.49 533 530 A 99 THR HA A 99 THR HG2% 1.0 . 4.01 534 531 A 101 THR HA A 101 THR HG2% 1.0 . 3.91 535 532 A 43 ILE HA A 43 ILE HD1% 1.0 . 5.06 536 533 A 43 ILE HG2% A 43 ILE HD1% 1.0 . 5.68 537 534 A 123 LEU HA A 123 LEU HDx% 1.0 . 5.34 538 535 A 123 LEU HA A 123 LEU HDy% 1.0 . 5.34 539 536 A 3 ALA HA A 45 VAL HGy% 1.0 . 4.81 540 537 A 58 LEU HA A 58 LEU HD1% 1.0 . 5.74 541 538 A 95 ILE HG2% A 95 ILE HA 1.0 . 3.91 542 539 A 3 ALA HB% A 45 VAL HGy% 1.0 . 6.14 543 540 A 3 ALA HA A 45 VAL HGx% 1.0 . 4.81 544 541 A 3 ALA HB% A 45 VAL HGx% 1.0 . 6.14 545 542 A 45 VAL HGx% A 6 LYS HBy 1.0 . 6.11 546 543 A 43 ILE HG2% A 20 ALA HA 1.0 . 6.52 547 544 A 20 ALA HB% A 43 ILE HG2% 1.0 . 6.36 548 545 A 20 ALA HB% A 43 ILE HD1% 1.0 . 6.24 549 546 A 20 ALA HB% A 24 PHE HE% 1.0 . 8.53 550 547 A 43 ILE HG2% A 24 PHE HE% 1.0 . 8.65 551 548 A 43 ILE H A 43 ILE HG2% 1.0 . 4.84 552 549 A 23 ALA HB% A 24 PHE HE% 1.0 . 7.50 553 550 A 23 ALA HB% A 24 PHE HD% 1.0 . 7.22 554 551 A 23 ALA HB% A 32 TRP HD1 1.0 . 4.66 555 552 A 23 ALA HB% A 32 TRP HBy 1.0 . 4.72 556 553 A 23 ALA HB% A 32 TRP HBx 1.0 . 4.72 557 554 A 23 ALA HB% A 43 ILE HD1% 1.0 . 6.08 558 555 A 23 ALA HB% A 43 ILE HG2% 1.0 . 6.20 559 556 A 43 ILE HD1% A 23 ALA HA 1.0 . 6.52 560 557 A 43 ILE HD1% A 20 ALA HA 1.0 . 5.03 561 558 A 43 ILE HD1% A 24 PHE HE% 1.0 . 7.10 562 559 A 43 ILE HD1% A 24 PHE HZ 1.0 . 5.62 563 560 A 43 ILE HD1% A 24 PHE HD% 1.0 . 7.84 564 561 A 43 ILE HD1% A 32 TRP HD1 1.0 . 6.18 565 562 A 110 VAL HB A 43 ILE HG2% 1.0 . 4.94 566 563 A 87 THR HB A 69 THR HG2% 1.0 . 4.53 567 564 A 67 SER HA A 88 THR HG2% 1.0 . 5.43 568 565 A 70 ILE HG21 A 85 VAL HGx% 1.0 . 6.08 569 566 A 70 ILE HG21 A 85 VAL HGy% 1.0 . 6.08 570 567 A 95 ILE HG2% A 95 ILE HD1% 1.0 . 4.44 571 568 A 95 ILE HA A 95 ILE HD1% 1.0 . 4.57 572 569 A 98 ILE HG2% A 70 ILE HD11 1.0 . 6.39 573 570 A 102 ALA HB% A 54 ASN HBx 1.0 . 4.88 574 571 A 102 ALA HB% A 54 ASN HBy 1.0 . 4.88 575 572 A 54 ASN HA A 102 ALA HB% 1.0 . 4.81 576 573 A 95 ILE HD1% A 94 GLY HA2 1.0 . 6.56 577 573 A 95 ILE HD1% A 94 GLY HA3 1.0 . 6.56 578 574 A 45 VAL HGx% A 6 LYS HBx 1.0 . 6.11 579 575 A 6 LYS HBy A 45 VAL HGy% 1.0 . 6.11 580 576 A 16 ALA HA A 13 ILE HD1% 1.0 . 5.09 581 577 A 44 TYR HA A 43 ILE HG2% 1.0 . 6.15 582 578 A 8 ALA HB% A 24 PHE HE% 1.0 . 7.35 583 579 A 8 ALA HB% A 24 PHE HD% 1.0 . 7.28 584 580 A 8 ALA HB% A 24 PHE HZ 1.0 . 6.24 585 581 A 3 ALA HB% A 24 PHE HE% 1.0 . 8.65 586 582 A 3 ALA HB% A 24 PHE HD% 1.0 . 8.12 587 583 A 43 ILE HG2% A 24 PHE HZ 1.0 . 4.60 588 584 A 43 ILE HG2% A 24 PHE HD% 1.0 . 7.13 589 585 A 43 ILE HG2% A 123 LEU HG 1.0 . 7.02 590 586 A 98 ILE HB A 70 ILE HD11 1.0 . 4.10 591 587 A 70 ILE HG21 A 86 TYR HBy 1.0 . 4.84 592 588 A 70 ILE HG21 A 86 TYR HBx 1.0 . 4.84 593 589 A 20 ALA HB% A 32 TRP HD1 1.0 . 5.31 594 590 A 20 ALA HB% A 32 TRP HZ2 1.0 . 6.12 595 591 A 104 THR HG2% A 50 SER HB2 1.0 . 5.91 596 591 A 50 SER HB3 A 104 THR HG2% 1.0 . 5.91 597 592 A 9 THR HA A 8 ALA HB% 1.0 . 4.66 598 593 A 30 THR HA A 30 THR HG2% 1.0 . 3.85 599 594 A 10 ALA HB% A 43 ILE HB 1.0 . 4.32 600 595 A 58 LEU HA A 58 LEU HD2% 1.0 . 5.74 601 596 A 9 THR HA A 10 ALA HB% 1.0 . 5.31 602 597 A 32 TRP HA A 33 ALA HB% 1.0 . 4.60 603 598 A 72 VAL HB A 105 ALA HB% 1.0 . 4.07 604 599 A 98 ILE HG2% A 86 TYR HBx 1.0 . 5.28 605 600 A 98 ILE HG2% A 86 TYR HBy 1.0 . 5.28 606 601 A 121 TYR HA A 63 ALA HB% 1.0 . 4.78 607 602 A 70 ILE HD11 A 58 LEU HD1% 1.0 . 6.08 608 603 A 70 ILE HD11 A 58 LEU HD2% 1.0 . 6.08 609 604 A 46 ASN HA A 3 ALA HB% 1.0 . 5.12 610 605 A 78 THR HA A 78 THR HG2% 1.0 . 4.19 611 606 A 78 THR HG2% A 79 PRO HDx 1.0 . 5.31 612 607 A 78 THR HG2% A 79 PRO HDy 1.0 . 5.31 613 608 A 117 THR HG2% A 117 THR HA 1.0 . 4.07 614 609 A 23 ALA HB% A 21 SER HA 1.0 . 4.94 615 610 A 33 ALA HB% A 18 PHE HBy 1.0 . 4.66 616 611 A 33 ALA HB% A 18 PHE HBx 1.0 . 4.66 617 612 A 53 VAL HB A 52 THR HG2% 1.0 . 4.79 618 613 A 59 ASN HA A 95 ILE HD1% 1.0 . 4.94 619 614 A 67 SER HA A 90 THR HG2% 1.0 . 5.81 620 615 A 88 THR HG2% A 89 THR HA 1.0 . 5.90 621 616 A 63 ALA HB% A 122 SER HBy 1.0 . 4.81 622 617 A 63 ALA HB% A 122 SER HBx 1.0 . 4.81 623 618 A 117 THR HG2% A 118 PRO HDx 1.0 . 5.12 624 619 A 117 THR HG2% A 118 PRO HDy 1.0 . 5.12 625 620 A 18 PHE HD1 A 33 ALA HB% 1.0 . 5.62 626 621 A 72 VAL HA A 105 ALA HB% 1.0 . 5.40 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 1 ASN H A 1 ASN HBx 1.0 . 3.01 2 1 A 1 ASN H A 1 ASN HBy 1.0 . 3.01 3 2 A 3 ALA H A 2 LEU HBy 1.0 . 2.90 4 2 A 3 ALA H A 2 LEU HBx 1.0 . 2.90 5 3 A 3 ALA H A 45 VAL HGy% 1.0 . 6.33 6 3 A 3 ALA H A 45 VAL HGx% 1.0 . 6.33 7 4 A 3 ALA HA A 6 LYS HBx 1.0 . 3.73 8 4 A 3 ALA HA A 6 LYS HBy 1.0 . 3.73 9 5 A 3 ALA HB% A 5 ASN HBx 1.0 . 6.26 10 5 A 3 ALA HB% A 5 ASN HBy 1.0 . 6.26 11 6 A 3 ALA HB% A 5 ASN HD2y 1.0 . 5.11 12 6 A 3 ALA HB% A 5 ASN HD2x 1.0 . 5.11 13 7 A 3 ALA HB% A 45 VAL HGy% 1.0 . 5.32 14 7 A 3 ALA HB% A 45 VAL HGx% 1.0 . 5.32 15 8 A 3 ALA HB% A 47 LEU HBy 1.0 . 5.22 16 8 A 3 ALA HB% A 47 LEU HBx 1.0 . 5.22 17 9 A 4 LEU H A 4 LEU HBy 1.0 . 2.70 18 9 A 4 LEU H A 4 LEU HBx 1.0 . 2.70 19 10 A 4 LEU H A 4 LEU HD1% 1.0 . 6.04 20 10 A 4 LEU H A 4 LEU HD21 1.0 . 6.04 21 11 A 4 LEU HA A 4 LEU HBy 1.0 . 2.56 22 11 A 4 LEU HA A 4 LEU HBx 1.0 . 2.56 23 12 A 4 LEU HA A 4 LEU HD1% 1.0 . 3.63 24 12 A 4 LEU HA A 4 LEU HD21 1.0 . 3.63 25 13 A 4 LEU HG A 4 LEU HBy 1.0 . 2.63 26 13 A 4 LEU HG A 4 LEU HBx 1.0 . 2.63 27 14 A 5 ASN H A 4 LEU HD1% 1.0 . 5.04 28 14 A 5 ASN H A 4 LEU HD21 1.0 . 5.04 29 15 A 5 ASN HD2y A 4 LEU HD21 1.0 . 5.49 30 15 A 5 ASN HD2y A 4 LEU HD1% 1.0 . 5.49 31 15 A 5 ASN HD2x A 4 LEU HD1% 1.0 . 5.49 32 15 A 5 ASN HD2x A 4 LEU HD21 1.0 . 5.49 33 16 A 25 ASP HA A 4 LEU HD1% 1.0 . 4.90 34 16 A 4 LEU HD21 A 25 ASP HA 1.0 . 4.90 35 17 A 26 GLY H A 4 LEU HD1% 1.0 . 4.98 36 17 A 26 GLY H A 4 LEU HD21 1.0 . 4.98 37 18 A 5 ASN H A 5 ASN HD2y 1.0 . 5.05 38 18 A 5 ASN H A 5 ASN HD2x 1.0 . 5.05 39 19 A 5 ASN HD2y A 5 ASN HBy 1.0 . 3.09 40 19 A 5 ASN HD2x A 5 ASN HBy 1.0 . 3.09 41 19 A 5 ASN HD2y A 5 ASN HBx 1.0 . 3.09 42 19 A 5 ASN HD2x A 5 ASN HBx 1.0 . 3.09 43 20 A 6 LYS H A 5 ASN HBx 1.0 . 3.59 44 20 A 6 LYS H A 5 ASN HBy 1.0 . 3.59 45 21 A 6 LYS H A 5 ASN HD2x 1.0 . 4.20 46 21 A 6 LYS H A 5 ASN HD2y 1.0 . 4.20 47 22 A 6 LYS H A 6 LYS HBx 1.0 . 2.70 48 22 A 6 LYS H A 6 LYS HBy 1.0 . 2.70 49 23 A 6 LYS HA A 6 LYS HBx 1.0 . 2.58 50 23 A 6 LYS HA A 6 LYS HBy 1.0 . 2.58 51 24 A 6 LYS HA A 45 VAL HGy% 1.0 . 5.85 52 24 A 6 LYS HA A 45 VAL HGx% 1.0 . 5.85 53 25 A 6 LYS HBx A 45 VAL HGy% 1.0 . 3.91 54 25 A 6 LYS HBy A 45 VAL HGy% 1.0 . 3.91 55 25 A 45 VAL HGx% A 6 LYS HBx 1.0 . 3.91 56 25 A 45 VAL HGx% A 6 LYS HBy 1.0 . 3.91 57 26 A 6 LYS HBx A 45 VAL HGy% 1.0 . 6.11 58 27 A 46 ASN H A 6 LYS HBx 1.0 . 4.68 59 27 A 46 ASN H A 6 LYS HBy 1.0 . 4.68 60 28 A 7 THR H A 45 VAL HGy% 1.0 . 5.61 61 28 A 7 THR H A 45 VAL HGx% 1.0 . 5.61 62 29 A 7 THR H A 46 ASN HBx 1.0 . 4.14 63 29 A 7 THR H A 46 ASN HBy 1.0 . 4.14 64 30 A 8 ALA HA A 45 VAL HGy% 1.0 . 5.47 65 30 A 8 ALA HA A 45 VAL HGx% 1.0 . 5.47 66 31 A 8 ALA HB% A 45 VAL HGy% 1.0 . 5.62 67 31 A 8 ALA HB% A 45 VAL HGx% 1.0 . 5.62 68 32 A 10 ALA HB% A 17 GLY HAx 1.0 . 6.22 69 32 A 10 ALA HB% A 17 GLY HAy 1.0 . 6.22 70 33 A 12 SER H A 11 SER HBy 1.0 . 3.59 71 33 A 12 SER H A 11 SER HBx 1.0 . 3.59 72 34 A 42 TRP H A 11 SER HBy 1.0 . 4.47 73 34 A 42 TRP H A 11 SER HBx 1.0 . 4.47 74 35 A 42 TRP HZ2 A 11 SER HBy 1.0 . 4.91 75 35 A 11 SER HBx A 42 TRP HZ2 1.0 . 4.91 76 36 A 13 ILE H A 12 SER HBy 1.0 . 2.82 77 36 A 13 ILE H A 12 SER HBx 1.0 . 2.82 78 37 A 13 ILE HD1% A 12 SER HBy 1.0 . 4.25 79 37 A 13 ILE HD1% A 12 SER HBx 1.0 . 4.25 80 38 A 35 ALA HB% A 12 SER HBy 1.0 . 4.21 81 38 A 35 ALA HB% A 12 SER HBx 1.0 . 4.21 82 39 A 13 ILE HG12 A 15 GLY HAx 1.0 . 6.16 83 39 A 13 ILE HG13 A 15 GLY HAx 1.0 . 6.16 84 39 A 15 GLY HAy A 13 ILE HG12 1.0 . 6.16 85 39 A 13 ILE HG13 A 15 GLY HAy 1.0 . 6.16 86 40 A 13 ILE HD1% A 15 GLY HAx 1.0 . 6.24 87 40 A 13 ILE HD1% A 15 GLY HAy 1.0 . 6.24 88 41 A 14 GLU H A 14 GLU HBx 1.0 . 3.14 89 41 A 14 GLU H A 14 GLU HBy 1.0 . 3.14 90 42 A 14 GLU HA A 14 GLU HG2 1.0 . 3.48 91 42 A 14 GLU HA A 14 GLU HGy 1.0 . 3.48 92 43 A 14 GLU HBy A 14 GLU HG2 1.0 . 2.34 93 43 A 14 GLU HBx A 14 GLU HG2 1.0 . 2.34 94 43 A 14 GLU HGy A 14 GLU HBx 1.0 . 2.34 95 43 A 14 GLU HBy A 14 GLU HGy 1.0 . 2.34 96 44 A 15 GLY H A 14 GLU HBx 1.0 . 2.98 97 44 A 15 GLY H A 14 GLU HBy 1.0 . 2.98 98 45 A 18 PHE HD1 A 14 GLU HBx 1.0 . 5.11 99 45 A 18 PHE HD1 A 14 GLU HBy 1.0 . 5.11 100 46 A 18 PHE HD1 A 14 GLU HG2 1.0 . 5.53 101 46 A 18 PHE HD1 A 14 GLU HGy 1.0 . 5.53 102 47 A 15 GLY H A 18 PHE HBx 1.0 . 3.32 103 47 A 15 GLY H A 18 PHE HBy 1.0 . 3.32 104 48 A 16 ALA H A 15 GLY HAx 1.0 . 2.54 105 48 A 16 ALA H A 15 GLY HAy 1.0 . 2.54 106 49 A 18 PHE H A 18 PHE HBx 1.0 . 2.92 107 49 A 18 PHE H A 18 PHE HBy 1.0 . 2.92 108 50 A 19 GLU H A 18 PHE HBx 1.0 . 3.47 109 50 A 19 GLU H A 18 PHE HBy 1.0 . 3.47 110 51 A 33 ALA H A 18 PHE HBx 1.0 . 3.50 111 51 A 33 ALA H A 18 PHE HBy 1.0 . 3.50 112 52 A 33 ALA HB% A 18 PHE HBx 1.0 . 3.85 113 52 A 33 ALA HB% A 18 PHE HBy 1.0 . 3.85 114 53 A 19 GLU H A 19 GLU HBx 1.0 . 2.82 115 53 A 19 GLU H A 19 GLU HBy 1.0 . 2.82 116 54 A 19 GLU HA A 19 GLU HBx 1.0 . 2.63 117 54 A 19 GLU HBy A 19 GLU HA 1.0 . 2.63 118 55 A 20 ALA H A 19 GLU HBx 1.0 . 3.11 119 55 A 20 ALA H A 19 GLU HBy 1.0 . 3.11 120 56 A 23 ALA HB% A 19 GLU HBx 1.0 . 5.17 121 56 A 23 ALA HB% A 19 GLU HBy 1.0 . 5.17 122 57 A 20 ALA HB% A 24 PHE HBy 1.0 . 6.29 123 57 A 20 ALA HB% A 24 PHE HBx 1.0 . 6.29 124 58 A 22 ARG H A 22 ARG HBx 1.0 . 2.72 125 58 A 22 ARG H A 22 ARG HBy 1.0 . 2.72 126 59 A 22 ARG H A 22 ARG HDx 1.0 . 5.03 127 59 A 22 ARG H A 22 ARG HDy 1.0 . 5.03 128 60 A 22 ARG HBx A 22 ARG HGx 1.0 . 2.18 129 60 A 22 ARG HBy A 22 ARG HGx 1.0 . 2.18 130 60 A 22 ARG HGy A 22 ARG HBx 1.0 . 2.18 131 60 A 22 ARG HBy A 22 ARG HGy 1.0 . 2.18 132 61 A 23 ALA H A 22 ARG HBx 1.0 . 3.56 133 61 A 23 ALA H A 22 ARG HBy 1.0 . 3.56 134 62 A 30 THR HB A 22 ARG HBx 1.0 . 3.91 135 62 A 30 THR HB A 22 ARG HBy 1.0 . 3.91 136 63 A 23 ALA HB% A 22 ARG HGx 1.0 . 5.58 137 63 A 23 ALA HB% A 22 ARG HGy 1.0 . 5.58 138 64 A 31 ARG H A 22 ARG HGx 1.0 . 4.23 139 64 A 31 ARG H A 22 ARG HGy 1.0 . 4.23 140 65 A 32 TRP H A 22 ARG HGx 1.0 . 4.59 141 65 A 32 TRP H A 22 ARG HGy 1.0 . 4.59 142 66 A 23 ALA HB% A 32 TRP HBx 1.0 . 3.90 143 66 A 23 ALA HB% A 32 TRP HBy 1.0 . 3.90 144 67 A 24 PHE H A 24 PHE HBy 1.0 . 3.32 145 67 A 24 PHE H A 24 PHE HBx 1.0 . 3.32 146 68 A 25 ASP H A 24 PHE HBy 1.0 . 3.79 147 68 A 25 ASP H A 24 PHE HBx 1.0 . 3.79 148 69 A 24 PHE HD% A 45 VAL HGy% 1.0 . 8.44 149 69 A 24 PHE HD% A 45 VAL HGx% 1.0 . 8.44 150 70 A 24 PHE HD% A 123 LEU HDy% 1.0 . 7.83 151 70 A 24 PHE HD% A 123 LEU HDx% 1.0 . 7.83 152 71 A 24 PHE HE% A 45 VAL HGy% 1.0 . 8.18 153 71 A 24 PHE HE% A 45 VAL HGx% 1.0 . 8.18 154 72 A 24 PHE HZ A 45 VAL HGy% 1.0 . 6.42 155 72 A 24 PHE HZ A 45 VAL HGx% 1.0 . 6.42 156 73 A 24 PHE HZ A 123 LEU HDy% 1.0 . 5.61 157 73 A 24 PHE HZ A 123 LEU HDx% 1.0 . 5.61 158 74 A 25 ASP H A 25 ASP HBx 1.0 . 3.23 159 74 A 25 ASP H A 25 ASP HBy 1.0 . 3.23 160 75 A 27 SER H A 25 ASP HBx 1.0 . 3.62 161 75 A 27 SER H A 25 ASP HBy 1.0 . 3.62 162 76 A 28 SER HA A 28 SER HBy 1.0 . 2.43 163 76 A 28 SER HA A 28 SER HBx 1.0 . 2.43 164 77 A 29 THR H A 28 SER HBy 1.0 . 3.85 165 77 A 29 THR H A 28 SER HBx 1.0 . 3.85 166 78 A 31 ARG HBy A 124 TRP HBx 1.0 . 4.04 167 78 A 31 ARG HBx A 124 TRP HBx 1.0 . 4.04 168 78 A 124 TRP HBy A 31 ARG HBx 1.0 . 4.04 169 78 A 31 ARG HBy A 124 TRP HBy 1.0 . 4.04 170 79 A 32 TRP H A 32 TRP HBx 1.0 . 2.85 171 79 A 32 TRP H A 32 TRP HBy 1.0 . 2.85 172 80 A 43 ILE HG2% A 32 TRP HBx 1.0 . 6.29 173 80 A 43 ILE HG2% A 32 TRP HBy 1.0 . 6.29 174 81 A 32 TRP HD1 A 123 LEU HDy% 1.0 . 6.42 175 81 A 32 TRP HD1 A 123 LEU HDx% 1.0 . 6.42 176 82 A 32 TRP HZ2 A 34 SER HBy 1.0 . 4.88 177 82 A 32 TRP HZ2 A 34 SER HBx 1.0 . 4.88 178 83 A 32 TRP HZ2 A 58 LEU HD2% 1.0 . 6.18 179 83 A 32 TRP HZ2 A 58 LEU HD1% 1.0 . 6.18 180 84 A 32 TRP HZ2 A 123 LEU HDy% 1.0 . 6.12 181 84 A 32 TRP HZ2 A 123 LEU HDx% 1.0 . 6.12 182 85 A 33 ALA HA A 122 SER HBy 1.0 . 4.21 183 85 A 33 ALA HA A 122 SER HBx 1.0 . 4.21 184 86 A 33 ALA HB% A 122 SER HBy 1.0 . 4.82 185 86 A 33 ALA HB% A 122 SER HBx 1.0 . 4.82 186 87 A 34 SER H A 34 SER HBy 1.0 . 3.10 187 87 A 34 SER H A 34 SER HBx 1.0 . 3.10 188 88 A 35 ALA H A 34 SER HBy 1.0 . 3.19 189 88 A 35 ALA H A 34 SER HBx 1.0 . 3.19 190 89 A 36 GLU H A 36 GLU HBx 1.0 . 2.82 191 89 A 36 GLU H A 36 GLU HBy 1.0 . 2.82 192 90 A 36 GLU H A 36 GLU HGx 1.0 . 3.77 193 90 A 36 GLU H A 36 GLU HGy 1.0 . 3.77 194 91 A 36 GLU HA A 36 GLU HBx 1.0 . 2.58 195 91 A 36 GLU HA A 36 GLU HBy 1.0 . 2.58 196 92 A 36 GLU HBx A 36 GLU HGx 1.0 . 2.24 197 92 A 36 GLU HBy A 36 GLU HGx 1.0 . 2.24 198 92 A 36 GLU HGy A 36 GLU HBx 1.0 . 2.24 199 92 A 36 GLU HBy A 36 GLU HGy 1.0 . 2.24 200 93 A 37 GLY H A 36 GLU HBx 1.0 . 3.26 201 93 A 37 GLY H A 36 GLU HBy 1.0 . 3.26 202 94 A 119 TYR HA A 36 GLU HBx 1.0 . 3.64 203 94 A 119 TYR HA A 36 GLU HBy 1.0 . 3.64 204 95 A 36 GLU HGy A 120 GLY HAx 1.0 . 5.18 205 95 A 36 GLU HGx A 120 GLY HAx 1.0 . 5.18 206 95 A 120 GLY HAy A 36 GLU HGx 1.0 . 5.18 207 95 A 36 GLU HGy A 120 GLY HAy 1.0 . 5.18 208 96 A 37 GLY HAx A 38 VAL HGy% 1.0 . 4.60 209 96 A 37 GLY HAy A 38 VAL HGy% 1.0 . 4.60 210 96 A 38 VAL HGx% A 37 GLY HAy 1.0 . 4.60 211 96 A 37 GLY HAx A 38 VAL HGx% 1.0 . 4.60 212 97 A 39 ASP H A 38 VAL HGy% 1.0 . 4.32 213 97 A 39 ASP H A 38 VAL HGx% 1.0 . 4.32 214 98 A 41 GLN H A 38 VAL HGy% 1.0 . 5.77 215 98 A 41 GLN H A 38 VAL HGx% 1.0 . 5.77 216 99 A 38 VAL HGx% A 41 GLN HE2y 1.0 . 4.90 217 99 A 41 GLN HE2x A 38 VAL HGy% 1.0 . 4.90 218 99 A 38 VAL HGx% A 41 GLN HE2x 1.0 . 4.90 219 99 A 38 VAL HGy% A 41 GLN HE2y 1.0 . 4.90 220 100 A 39 ASP H A 39 ASP HBx 1.0 . 3.04 221 100 A 39 ASP H A 39 ASP HBy 1.0 . 3.04 222 101 A 41 GLN H A 40 PRO HBx 1.0 . 2.94 223 101 A 41 GLN H A 40 PRO HBy 1.0 . 2.94 224 102 A 41 GLN HA A 41 GLN HG2 1.0 . 2.74 225 102 A 41 GLN HA A 41 GLN HGy 1.0 . 2.74 226 103 A 43 ILE HD1% A 41 GLN HB2 1.0 . 6.04 227 103 A 43 ILE HD1% A 41 GLN HBy 1.0 . 6.04 228 104 A 41 GLN HE2y A 41 GLN HG2 1.0 . 3.16 229 104 A 41 GLN HE2x A 41 GLN HG2 1.0 . 3.16 230 104 A 41 GLN HGy A 41 GLN HE2y 1.0 . 3.16 231 104 A 41 GLN HE2x A 41 GLN HGy 1.0 . 3.16 232 105 A 42 TRP H A 42 TRP HBy 1.0 . 3.45 233 105 A 42 TRP H A 42 TRP HBx 1.0 . 3.45 234 106 A 42 TRP HE1 A 42 TRP HBy 1.0 . 4.63 235 106 A 42 TRP HBx A 42 TRP HE1 1.0 . 4.63 236 107 A 42 TRP HE1 A 109 ARG HBx 1.0 . 4.97 237 107 A 42 TRP HE1 A 109 ARG HBy 1.0 . 4.97 238 108 A 43 ILE HG2% A 123 LEU HDy% 1.0 . 7.39 239 108 A 43 ILE HG2% A 123 LEU HDx% 1.0 . 7.39 240 109 A 43 ILE HD1% A 123 LEU HDy% 1.0 . 7.39 241 109 A 43 ILE HD1% A 123 LEU HDx% 1.0 . 7.39 242 110 A 44 TYR H A 44 TYR HBx 1.0 . 3.57 243 110 A 44 TYR H A 44 TYR HBy 1.0 . 3.57 244 111 A 45 VAL H A 44 TYR HBx 1.0 . 3.22 245 111 A 45 VAL H A 44 TYR HBy 1.0 . 3.22 246 112 A 46 ASN H A 45 VAL HGy% 1.0 . 4.39 247 112 A 46 ASN H A 45 VAL HGx% 1.0 . 4.39 248 113 A 47 LEU H A 45 VAL HGy% 1.0 . 5.31 249 113 A 47 LEU H A 45 VAL HGx% 1.0 . 5.31 250 114 A 47 LEU HA A 45 VAL HGy% 1.0 . 5.88 251 114 A 45 VAL HGx% A 47 LEU HA 1.0 . 5.88 252 115 A 47 LEU HG A 45 VAL HGy% 1.0 . 4.15 253 115 A 47 LEU HG A 45 VAL HGx% 1.0 . 4.15 254 116 A 45 VAL HGy% A 47 LEU HDy% 1.0 . 6.34 255 116 A 45 VAL HGx% A 47 LEU HDy% 1.0 . 6.34 256 116 A 47 LEU HDx% A 45 VAL HGy% 1.0 . 6.34 257 116 A 45 VAL HGx% A 47 LEU HDx% 1.0 . 6.34 258 117 A 107 TYR HA A 45 VAL HGy% 1.0 . 6.42 259 117 A 107 TYR HA A 45 VAL HGx% 1.0 . 6.42 260 118 A 108 VAL HB A 45 VAL HGy% 1.0 . 4.92 261 118 A 108 VAL HB A 45 VAL HGx% 1.0 . 4.92 262 119 A 47 LEU H A 46 ASN HBx 1.0 . 3.83 263 119 A 47 LEU H A 46 ASN HBy 1.0 . 3.83 264 120 A 47 LEU H A 47 LEU HBy 1.0 . 2.62 265 120 A 47 LEU H A 47 LEU HBx 1.0 . 2.62 266 121 A 47 LEU H A 47 LEU HDy% 1.0 . 4.60 267 121 A 47 LEU H A 47 LEU HDx% 1.0 . 4.60 268 122 A 47 LEU HA A 47 LEU HBy 1.0 . 2.61 269 122 A 47 LEU HBx A 47 LEU HA 1.0 . 2.61 270 123 A 47 LEU HA A 47 LEU HDy% 1.0 . 3.91 271 123 A 47 LEU HA A 47 LEU HDx% 1.0 . 3.91 272 124 A 47 LEU HG A 47 LEU HBy 1.0 . 2.56 273 124 A 47 LEU HG A 47 LEU HBx 1.0 . 2.56 274 125 A 48 GLY H A 47 LEU HBy 1.0 . 3.21 275 125 A 48 GLY H A 47 LEU HBx 1.0 . 3.21 276 126 A 49 SER HA A 49 SER HBy 1.0 . 2.36 277 126 A 49 SER HA A 49 SER HBx 1.0 . 2.36 278 127 A 50 SER H A 49 SER HBy 1.0 . 3.13 279 127 A 50 SER H A 49 SER HBx 1.0 . 3.13 280 128 A 51 GLN H A 51 GLN HG2 1.0 . 4.21 281 128 A 51 GLN H A 51 GLN HGy 1.0 . 4.21 282 129 A 51 GLN HA A 51 GLN HG2 1.0 . 3.06 283 129 A 51 GLN HA A 51 GLN HGy 1.0 . 3.06 284 130 A 53 VAL H A 72 VAL HGy% 1.0 . 4.20 285 130 A 53 VAL H A 72 VAL HGx% 1.0 . 4.20 286 131 A 54 ASN H A 54 ASN HBx 1.0 . 3.68 287 131 A 54 ASN H A 54 ASN HBy 1.0 . 3.68 288 132 A 54 ASN HA A 54 ASN HD2x 1.0 . 3.91 289 132 A 54 ASN HA A 54 ASN HD2y 1.0 . 3.91 290 133 A 102 ALA HA A 54 ASN HBx 1.0 . 3.63 291 133 A 102 ALA HA A 54 ASN HBy 1.0 . 3.63 292 134 A 102 ALA HB% A 54 ASN HBx 1.0 . 4.17 293 134 A 102 ALA HB% A 54 ASN HBy 1.0 . 4.17 294 135 A 56 VAL H A 98 ILE HG12 1.0 . 4.27 295 135 A 56 VAL H A 98 ILE HG1y 1.0 . 4.27 296 136 A 108 VAL HB A 56 VAL HG1% 1.0 . 4.85 297 136 A 108 VAL HB A 56 VAL HG21 1.0 . 4.85 298 137 A 56 VAL HG21 A 110 VAL HGy% 1.0 . 5.71 299 137 A 56 VAL HG1% A 110 VAL HGy% 1.0 . 5.71 300 137 A 110 VAL HGx% A 56 VAL HG1% 1.0 . 5.71 301 137 A 56 VAL HG21 A 110 VAL HGx% 1.0 . 5.71 302 138 A 58 LEU H A 58 LEU HD2% 1.0 . 5.80 303 138 A 58 LEU H A 58 LEU HD1% 1.0 . 5.80 304 139 A 58 LEU HA A 58 LEU HD2% 1.0 . 4.32 305 139 A 58 LEU HA A 58 LEU HD1% 1.0 . 4.32 306 140 A 59 ASN H A 58 LEU HBx 1.0 . 3.56 307 140 A 59 ASN H A 58 LEU HBy 1.0 . 3.56 308 141 A 59 ASN H A 58 LEU HD2% 1.0 . 4.94 309 141 A 59 ASN H A 58 LEU HD1% 1.0 . 4.94 310 142 A 60 TRP HE1 A 58 LEU HD2% 1.0 . 5.40 311 142 A 58 LEU HD1% A 60 TRP HE1 1.0 . 5.40 312 143 A 70 ILE HD11 A 58 LEU HD2% 1.0 . 5.35 313 143 A 70 ILE HD11 A 58 LEU HD1% 1.0 . 5.35 314 144 A 58 LEU HD2% A 96 ASP HB3 1.0 . 5.39 315 144 A 96 ASP HB2 A 58 LEU HD2% 1.0 . 5.39 316 144 A 58 LEU HD1% A 96 ASP HB2 1.0 . 5.39 317 144 A 58 LEU HD1% A 96 ASP HB3 1.0 . 5.39 318 145 A 110 VAL HA A 58 LEU HD2% 1.0 . 5.24 319 145 A 110 VAL HA A 58 LEU HD1% 1.0 . 5.24 320 146 A 58 LEU HD1% A 110 VAL HGy% 1.0 . 5.68 321 146 A 58 LEU HD2% A 110 VAL HGy% 1.0 . 5.68 322 146 A 110 VAL HGx% A 58 LEU HD2% 1.0 . 5.68 323 146 A 58 LEU HD1% A 110 VAL HGx% 1.0 . 5.68 324 147 A 58 LEU HD1% A 123 LEU HDy% 1.0 . 5.94 325 147 A 58 LEU HD2% A 123 LEU HDy% 1.0 . 5.94 326 147 A 123 LEU HDx% A 58 LEU HD2% 1.0 . 5.94 327 147 A 123 LEU HDx% A 58 LEU HD1% 1.0 . 5.94 328 148 A 126 PHE HA A 58 LEU HD2% 1.0 . 5.74 329 148 A 126 PHE HA A 58 LEU HD1% 1.0 . 5.74 330 149 A 58 LEU HD2% A 126 PHE HBx 1.0 . 4.92 331 149 A 126 PHE HBy A 58 LEU HD2% 1.0 . 4.92 332 149 A 58 LEU HD1% A 126 PHE HBy 1.0 . 4.92 333 149 A 58 LEU HD1% A 126 PHE HBx 1.0 . 4.92 334 150 A 127 GLU H A 58 LEU HD2% 1.0 . 5.53 335 150 A 127 GLU H A 58 LEU HD1% 1.0 . 5.53 336 151 A 59 ASN H A 123 LEU HDy% 1.0 . 5.50 337 151 A 59 ASN H A 123 LEU HDx% 1.0 . 5.50 338 152 A 60 TRP H A 59 ASN HBx 1.0 . 3.56 339 152 A 60 TRP H A 59 ASN HBy 1.0 . 3.56 340 153 A 95 ILE HD1% A 59 ASN HBx 1.0 . 5.74 341 153 A 95 ILE HD1% A 59 ASN HBy 1.0 . 5.74 342 154 A 125 GLU H A 59 ASN HBx 1.0 . 3.94 343 154 A 125 GLU H A 59 ASN HBy 1.0 . 3.94 344 155 A 61 GLU H A 60 TRP HBx 1.0 . 3.53 345 155 A 61 GLU H A 60 TRP HBy 1.0 . 3.53 346 156 A 60 TRP HE1 A 96 ASP HB3 1.0 . 4.79 347 156 A 60 TRP HE1 A 96 ASP HB2 1.0 . 4.79 348 157 A 61 GLU H A 61 GLU HB2 1.0 . 3.23 349 157 A 61 GLU H A 61 GLU HBy 1.0 . 3.23 350 158 A 61 GLU H A 123 LEU HDy% 1.0 . 5.74 351 158 A 61 GLU H A 123 LEU HDx% 1.0 . 5.74 352 159 A 62 ALA H A 61 GLU HB2 1.0 . 3.61 353 159 A 62 ALA H A 61 GLU HBy 1.0 . 3.61 354 160 A 61 GLU HBy A 122 SER HBy 1.0 . 4.30 355 160 A 61 GLU HB2 A 122 SER HBy 1.0 . 4.30 356 160 A 122 SER HBx A 61 GLU HB2 1.0 . 4.30 357 160 A 122 SER HBx A 61 GLU HBy 1.0 . 4.30 358 161 A 63 ALA HA A 119 TYR HBx 1.0 . 4.61 359 161 A 63 ALA HA A 119 TYR HBy 1.0 . 4.61 360 162 A 63 ALA HB% A 119 TYR HBx 1.0 . 5.43 361 162 A 63 ALA HB% A 119 TYR HBy 1.0 . 5.43 362 163 A 67 SER H A 66 SER HBy 1.0 . 3.07 363 163 A 67 SER H A 66 SER HBx 1.0 . 3.07 364 164 A 114 VAL HB A 66 SER HBy 1.0 . 3.59 365 164 A 114 VAL HB A 66 SER HBx 1.0 . 3.59 366 165 A 66 SER HBy A 114 VAL HGx% 1.0 . 3.98 367 165 A 66 SER HBx A 114 VAL HGx% 1.0 . 3.98 368 165 A 114 VAL HGy% A 66 SER HBy 1.0 . 3.98 369 165 A 66 SER HBx A 114 VAL HGy% 1.0 . 3.98 370 166 A 67 SER H A 114 VAL HGx% 1.0 . 4.65 371 166 A 67 SER H A 114 VAL HGy% 1.0 . 4.65 372 167 A 67 SER HA A 91 GLY HAx 1.0 . 3.82 373 167 A 67 SER HA A 91 GLY HAy 1.0 . 3.82 374 168 A 70 ILE H A 85 VAL HGy% 1.0 . 5.80 375 168 A 70 ILE H A 85 VAL HGx% 1.0 . 5.80 376 169 A 70 ILE HA A 85 VAL HGy% 1.0 . 5.64 377 169 A 70 ILE HA A 85 VAL HGx% 1.0 . 5.64 378 170 A 70 ILE HA A 110 VAL HGy% 1.0 . 5.74 379 170 A 70 ILE HA A 110 VAL HGx% 1.0 . 5.74 380 171 A 70 ILE HB A 85 VAL HGy% 1.0 . 5.67 381 171 A 70 ILE HB A 85 VAL HGx% 1.0 . 5.67 382 172 A 70 ILE HB A 86 TYR HBx 1.0 . 4.21 383 172 A 70 ILE HB A 86 TYR HBy 1.0 . 4.21 384 173 A 70 ILE HG21 A 85 VAL HGy% 1.0 . 4.96 385 173 A 70 ILE HG21 A 85 VAL HGx% 1.0 . 4.96 386 174 A 70 ILE HG21 A 86 TYR HBx 1.0 . 4.09 387 174 A 70 ILE HG21 A 86 TYR HBy 1.0 . 4.09 388 175 A 70 ILE HD11 A 86 TYR HBx 1.0 . 5.43 389 175 A 70 ILE HD11 A 86 TYR HBy 1.0 . 5.43 390 176 A 71 GLN H A 71 GLN HBy 1.0 . 3.06 391 176 A 71 GLN H A 71 GLN HBx 1.0 . 3.06 392 177 A 71 GLN H A 109 ARG HBx 1.0 . 4.15 393 177 A 71 GLN H A 109 ARG HBy 1.0 . 4.15 394 178 A 71 GLN HA A 85 VAL HGy% 1.0 . 5.67 395 178 A 71 GLN HA A 85 VAL HGx% 1.0 . 5.67 396 179 A 71 GLN HA A 109 ARG HBx 1.0 . 5.21 397 179 A 71 GLN HA A 109 ARG HBy 1.0 . 5.21 398 180 A 71 GLN HBy A 71 GLN HE2y 1.0 . 3.60 399 180 A 71 GLN HBx A 71 GLN HE2y 1.0 . 3.60 400 180 A 71 GLN HE2x A 71 GLN HBy 1.0 . 3.60 401 180 A 71 GLN HBx A 71 GLN HE2x 1.0 . 3.60 402 181 A 72 VAL H A 71 GLN HBy 1.0 . 3.22 403 181 A 72 VAL H A 71 GLN HBx 1.0 . 3.22 404 182 A 83 THR H A 71 GLN HBy 1.0 . 4.91 405 182 A 83 THR H A 71 GLN HBx 1.0 . 4.91 406 183 A 72 VAL H A 72 VAL HGy% 1.0 . 4.02 407 183 A 72 VAL H A 72 VAL HGx% 1.0 . 4.02 408 184 A 83 THR H A 72 VAL HGy% 1.0 . 4.84 409 184 A 83 THR H A 72 VAL HGx% 1.0 . 4.84 410 185 A 83 THR HB A 72 VAL HGy% 1.0 . 4.05 411 185 A 83 THR HB A 72 VAL HGx% 1.0 . 4.05 412 186 A 72 VAL HGy% A 85 VAL HGy% 1.0 . 6.59 413 186 A 72 VAL HGx% A 85 VAL HGy% 1.0 . 6.59 414 186 A 85 VAL HGx% A 72 VAL HGy% 1.0 . 6.59 415 186 A 72 VAL HGx% A 85 VAL HGx% 1.0 . 6.59 416 187 A 103 ARG H A 72 VAL HGy% 1.0 . 5.17 417 187 A 103 ARG H A 72 VAL HGx% 1.0 . 5.17 418 188 A 82 TRP HZ2 A 73 SER HBy 1.0 . 4.88 419 188 A 73 SER HBx A 82 TRP HZ2 1.0 . 4.88 420 189 A 74 ASN HA A 106 LYS HB2 1.0 . 3.77 421 189 A 74 ASN HA A 106 LYS HBy 1.0 . 3.77 422 190 A 74 ASN HBy A 74 ASN HD2x 1.0 . 3.18 423 190 A 74 ASN HBx A 74 ASN HD2x 1.0 . 3.18 424 190 A 74 ASN HD2y A 74 ASN HBy 1.0 . 3.18 425 190 A 74 ASN HBx A 74 ASN HD2y 1.0 . 3.18 426 191 A 105 ALA HA A 74 ASN HBy 1.0 . 3.20 427 191 A 105 ALA HA A 74 ASN HBx 1.0 . 3.20 428 192 A 76 SER H A 75 ASP HBx 1.0 . 3.47 429 192 A 76 SER H A 75 ASP HBy 1.0 . 3.47 430 193 A 75 ASP HBx A 76 SER HB2 1.0 . 4.70 431 193 A 75 ASP HBy A 76 SER HB2 1.0 . 4.70 432 193 A 76 SER HBy A 75 ASP HBx 1.0 . 4.70 433 193 A 75 ASP HBy A 76 SER HBy 1.0 . 4.70 434 194 A 79 PRO HA A 75 ASP HBx 1.0 . 2.92 435 194 A 79 PRO HA A 75 ASP HBy 1.0 . 2.92 436 195 A 75 ASP HBy A 79 PRO HBx 1.0 . 4.89 437 195 A 75 ASP HBx A 79 PRO HBx 1.0 . 4.89 438 195 A 79 PRO HBy A 75 ASP HBx 1.0 . 4.89 439 195 A 75 ASP HBy A 79 PRO HBy 1.0 . 4.89 440 196 A 75 ASP HBy A 79 PRO HGx 1.0 . 4.50 441 196 A 75 ASP HBx A 79 PRO HGx 1.0 . 4.50 442 196 A 79 PRO HGy A 75 ASP HBx 1.0 . 4.50 443 196 A 75 ASP HBy A 79 PRO HGy 1.0 . 4.50 444 197 A 76 SER H A 76 SER HB2 1.0 . 3.14 445 197 A 76 SER H A 76 SER HBy 1.0 . 3.14 446 198 A 76 SER HA A 76 SER HB2 1.0 . 2.34 447 198 A 76 SER HBy A 76 SER HA 1.0 . 2.34 448 199 A 78 THR HA A 79 PRO HDx 1.0 . 3.06 449 199 A 78 THR HA A 79 PRO HDy 1.0 . 3.06 450 200 A 78 THR HG2% A 79 PRO HDx 1.0 . 4.43 451 200 A 78 THR HG2% A 79 PRO HDy 1.0 . 4.43 452 201 A 81 ASN H A 81 ASN HD2y 1.0 . 4.34 453 201 A 81 ASN H A 81 ASN HD2x 1.0 . 4.34 454 202 A 81 ASN HA A 81 ASN HBx 1.0 . 2.64 455 202 A 81 ASN HA A 81 ASN HBy 1.0 . 2.64 456 203 A 81 ASN HD2y A 81 ASN HBx 1.0 . 3.08 457 203 A 81 ASN HD2x A 81 ASN HBx 1.0 . 3.08 458 203 A 81 ASN HD2y A 81 ASN HBy 1.0 . 3.08 459 203 A 81 ASN HD2x A 81 ASN HBy 1.0 . 3.08 460 204 A 82 TRP H A 81 ASN HBx 1.0 . 3.47 461 204 A 82 TRP H A 81 ASN HBy 1.0 . 3.47 462 205 A 84 THR HA A 103 ARG HBx 1.0 . 4.50 463 205 A 84 THR HA A 103 ARG HBy 1.0 . 4.50 464 206 A 84 THR HG2% A 85 VAL HGy% 1.0 . 7.39 465 206 A 84 THR HG2% A 85 VAL HGx% 1.0 . 7.39 466 207 A 86 TYR H A 85 VAL HGy% 1.0 . 4.59 467 207 A 86 TYR H A 85 VAL HGx% 1.0 . 4.59 468 208 A 85 VAL HGx% A 86 TYR HBx 1.0 . 4.52 469 208 A 85 VAL HGy% A 86 TYR HBx 1.0 . 4.52 470 208 A 86 TYR HBy A 85 VAL HGy% 1.0 . 4.52 471 208 A 85 VAL HGx% A 86 TYR HBy 1.0 . 4.52 472 209 A 86 TYR HD1 A 85 VAL HGy% 1.0 . 4.65 473 209 A 85 VAL HGx% A 86 TYR HD1 1.0 . 4.65 474 210 A 98 ILE HG2% A 85 VAL HGy% 1.0 . 7.21 475 210 A 98 ILE HG2% A 85 VAL HGx% 1.0 . 7.21 476 211 A 98 ILE HD1% A 85 VAL HGy% 1.0 . 7.39 477 211 A 98 ILE HD1% A 85 VAL HGx% 1.0 . 7.39 478 212 A 98 ILE HG2% A 86 TYR HBx 1.0 . 4.46 479 212 A 98 ILE HG2% A 86 TYR HBy 1.0 . 4.46 480 213 A 92 ASP H A 91 GLY HAx 1.0 . 3.06 481 213 A 92 ASP H A 91 GLY HAy 1.0 . 3.06 482 214 A 96 ASP H A 96 ASP HB3 1.0 . 3.54 483 214 A 96 ASP H A 96 ASP HB2 1.0 . 3.54 484 215 A 97 ASP H A 96 ASP HB3 1.0 . 3.56 485 215 A 97 ASP H A 96 ASP HB2 1.0 . 3.56 486 216 A 97 ASP H A 97 ASP HB3 1.0 . 3.12 487 216 A 97 ASP H A 97 ASP HB2 1.0 . 3.12 488 217 A 98 ILE H A 98 ILE HG12 1.0 . 3.77 489 217 A 98 ILE H A 98 ILE HG1y 1.0 . 3.77 490 218 A 98 ILE HA A 98 ILE HG12 1.0 . 3.29 491 218 A 98 ILE HA A 98 ILE HG1y 1.0 . 3.29 492 219 A 100 PHE H A 100 PHE HBx 1.0 . 3.33 493 219 A 100 PHE H A 100 PHE HBy 1.0 . 3.33 494 220 A 101 THR H A 100 PHE HBx 1.0 . 2.70 495 220 A 101 THR H A 100 PHE HBy 1.0 . 2.70 496 221 A 103 ARG H A 103 ARG HBx 1.0 . 3.00 497 221 A 103 ARG H A 103 ARG HBy 1.0 . 3.00 498 222 A 107 TYR H A 106 LYS HB2 1.0 . 3.17 499 222 A 107 TYR H A 106 LYS HBy 1.0 . 3.17 500 223 A 107 TYR H A 107 TYR HBx 1.0 . 3.16 501 223 A 107 TYR H A 107 TYR HBy 1.0 . 3.16 502 224 A 110 VAL H A 109 ARG HBx 1.0 . 3.29 503 224 A 110 VAL H A 109 ARG HBy 1.0 . 3.29 504 225 A 111 HIS H A 110 VAL HGy% 1.0 . 4.71 505 225 A 111 HIS H A 110 VAL HGx% 1.0 . 4.71 506 226 A 110 VAL HGy% A 123 LEU HDy% 1.0 . 7.23 507 226 A 110 VAL HGx% A 123 LEU HDy% 1.0 . 7.23 508 226 A 123 LEU HDx% A 110 VAL HGy% 1.0 . 7.23 509 226 A 123 LEU HDx% A 110 VAL HGx% 1.0 . 7.23 510 227 A 111 HIS H A 111 HIS HB2 1.0 . 3.70 511 227 A 111 HIS H A 111 HIS HBy 1.0 . 3.70 512 228 A 115 ARG H A 114 VAL HGx% 1.0 . 4.41 513 228 A 115 ARG H A 114 VAL HGy% 1.0 . 4.41 514 229 A 115 ARG H A 115 ARG HBx 1.0 . 3.16 515 229 A 115 ARG H A 115 ARG HBy 1.0 . 3.16 516 230 A 116 GLY H A 115 ARG HBx 1.0 . 3.52 517 230 A 116 GLY H A 115 ARG HBy 1.0 . 3.52 518 231 A 117 THR HA A 118 PRO HDy 1.0 . 3.33 519 231 A 117 THR HA A 118 PRO HDx 1.0 . 3.33 520 232 A 117 THR HB A 118 PRO HDy 1.0 . 3.35 521 232 A 117 THR HB A 118 PRO HDx 1.0 . 3.35 522 233 A 117 THR HG2% A 118 PRO HDy 1.0 . 4.45 523 233 A 117 THR HG2% A 118 PRO HDx 1.0 . 4.45 524 234 A 119 TYR H A 118 PRO HBy 1.0 . 3.85 525 234 A 119 TYR H A 118 PRO HBx 1.0 . 3.85 526 235 A 119 TYR H A 119 TYR HBx 1.0 . 3.09 527 235 A 119 TYR H A 119 TYR HBy 1.0 . 3.09 528 236 A 120 GLY H A 119 TYR HBx 1.0 . 3.05 529 236 A 120 GLY H A 119 TYR HBy 1.0 . 3.05 530 237 A 120 GLY H A 120 GLY HAx 1.0 . 2.56 531 237 A 120 GLY H A 120 GLY HAy 1.0 . 2.56 532 238 A 121 TYR H A 121 TYR HBx 1.0 . 3.14 533 238 A 121 TYR H A 121 TYR HBy 1.0 . 3.14 534 239 A 122 SER H A 121 TYR HBx 1.0 . 3.37 535 239 A 122 SER H A 121 TYR HBy 1.0 . 3.37 536 240 A 122 SER H A 122 SER HBy 1.0 . 3.15 537 240 A 122 SER H A 122 SER HBx 1.0 . 3.15 538 241 A 123 LEU H A 122 SER HBy 1.0 . 4.15 539 241 A 123 LEU H A 122 SER HBx 1.0 . 4.15 540 242 A 123 LEU H A 123 LEU HDy% 1.0 . 6.42 541 242 A 123 LEU H A 123 LEU HDx% 1.0 . 6.42 542 243 A 123 LEU HA A 123 LEU HDy% 1.0 . 4.26 543 243 A 123 LEU HA A 123 LEU HDx% 1.0 . 4.26 544 244 A 124 TRP H A 123 LEU HBy 1.0 . 3.37 545 244 A 124 TRP H A 123 LEU HBx 1.0 . 3.37 546 245 A 125 GLU H A 123 LEU HBy 1.0 . 3.50 547 245 A 125 GLU H A 123 LEU HBx 1.0 . 3.50 548 246 A 124 TRP H A 123 LEU HDy% 1.0 . 5.58 549 246 A 124 TRP H A 123 LEU HDx% 1.0 . 5.58 550 247 A 125 GLU H A 123 LEU HDy% 1.0 . 5.85 551 247 A 125 GLU H A 123 LEU HDx% 1.0 . 5.85 552 248 A 125 GLU HA A 123 LEU HDy% 1.0 . 6.42 553 248 A 125 GLU HA A 123 LEU HDx% 1.0 . 6.42 554 249 A 124 TRP H A 124 TRP HBx 1.0 . 3.06 555 249 A 124 TRP H A 124 TRP HBy 1.0 . 3.06 556 250 A 125 GLU H A 124 TRP HBx 1.0 . 2.80 557 250 A 125 GLU H A 124 TRP HBy 1.0 . 2.80 558 251 A 125 GLU H A 125 GLU HB2 1.0 . 3.32 559 251 A 125 GLU H A 125 GLU HB3 1.0 . 3.32 560 252 A 126 PHE H A 125 GLU HB2 1.0 . 3.32 561 252 A 126 PHE H A 125 GLU HB3 1.0 . 3.32 562 253 A 127 GLU H A 126 PHE HBx 1.0 . 3.54 563 253 A 127 GLU H A 126 PHE HBy 1.0 . 3.54 564 254 A 127 GLU H A 127 GLU HBx 1.0 . 2.97 565 254 A 127 GLU H A 127 GLU HBy 1.0 . 2.97 566 255 A 127 GLU HA A 127 GLU HBx 1.0 . 2.63 567 255 A 127 GLU HA A 127 GLU HBy 1.0 . 2.63 568 256 A 128 VAL H A 127 GLU HBx 1.0 . 3.56 569 256 A 128 VAL H A 127 GLU HBy 1.0 . 3.56 570 257 A 129 TYR H A 129 TYR HBx 1.0 . 3.44 571 257 A 129 TYR H A 129 TYR HBy 1.0 . 3.44 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 9 THR H A 44 TYR O 1.0 . 1.8 2 2 A 44 TYR O A 9 THR N 1.0 . 2.7 3 3 A 44 TYR H A 9 THR O 1.0 . 1.8 4 4 A 9 THR O A 44 TYR N 1.0 . 2.7 5 5 A 46 ASN H A 7 THR O 1.0 . 1.8 6 6 A 7 THR O A 46 ASN N 1.0 . 2.7 7 7 A 32 TRP H A 123 LEU O 1.0 . 1.8 8 8 A 123 LEU O A 32 TRP N 1.0 . 2.7 9 9 A 123 LEU H A 32 TRP O 1.0 . 1.8 10 10 A 32 TRP O A 123 LEU N 1.0 . 2.7 11 11 A 34 SER H A 121 TYR O 1.0 . 1.8 12 12 A 121 TYR O A 34 SER N 1.0 . 2.7 13 13 A 121 TYR H A 34 SER O 1.0 . 1.8 14 14 A 34 SER O A 121 TYR N 1.0 . 2.7 15 15 A 41 GLN H A 112 GLY O 1.0 . 1.8 16 16 A 112 GLY O A 41 GLN N 1.0 . 2.7 17 17 A 112 GLY H A 41 GLN O 1.0 . 1.8 18 18 A 41 GLN O A 112 GLY N 1.0 . 2.7 19 19 A 43 ILE H A 110 VAL O 1.0 . 1.8 20 20 A 110 VAL O A 43 ILE N 1.0 . 2.7 21 21 A 110 VAL H A 43 ILE O 1.0 . 1.8 22 22 A 43 ILE O A 110 VAL N 1.0 . 2.7 23 23 A 45 VAL H A 108 VAL O 1.0 . 1.8 24 24 A 108 VAL O A 45 VAL N 1.0 . 2.7 25 25 A 51 GLN H A 105 ALA O 1.0 . 1.8 26 26 A 105 ALA O A 51 GLN N 1.0 . 2.7 27 27 A 105 ALA H A 51 GLN O 1.0 . 1.8 28 28 A 51 GLN O A 105 ALA N 1.0 . 2.7 29 29 A 53 VAL H A 103 ARG O 1.0 . 1.8 30 30 A 103 ARG O A 53 VAL N 1.0 . 2.7 31 31 A 56 VAL H A 98 ILE O 1.0 . 1.8 32 32 A 98 ILE O A 56 VAL N 1.0 . 2.7 33 33 A 98 ILE H A 56 VAL O 1.0 . 1.8 34 34 A 56 VAL O A 98 ILE N 1.0 . 2.7 35 35 A 58 LEU H A 96 ASP O 1.0 . 1.8 36 36 A 96 ASP O A 58 LEU N 1.0 . 2.7 37 37 A 96 ASP H A 58 LEU O 1.0 . 1.8 38 38 A 58 LEU O A 96 ASP N 1.0 . 2.7 39 39 A 68 TYR H A 88 THR O 1.0 . 1.8 40 40 A 88 THR O A 68 TYR N 1.0 . 2.7 41 41 A 88 THR H A 68 TYR O 1.0 . 1.8 42 42 A 68 TYR O A 88 THR N 1.0 . 2.7 43 43 A 72 VAL H A 83 THR O 1.0 . 1.8 44 44 A 83 THR O A 72 VAL N 1.0 . 2.7 45 45 A 83 THR H A 72 VAL O 1.0 . 1.8 46 46 A 72 VAL O A 83 THR N 1.0 . 2.7 47 47 A 57 LYS H A 127 GLU O 1.0 . 1.8 48 48 A 127 GLU O A 57 LYS N 1.0 . 2.7 49 49 A 71 GLN H A 109 ARG O 1.0 . 1.8 50 50 A 109 ARG O A 71 GLN N 1.0 . 2.7 51 51 A 109 ARG H A 71 GLN O 1.0 . 1.8 52 52 A 71 GLN O A 109 ARG N 1.0 . 2.7 53 53 A 69 THR H A 111 HIS O 1.0 . 1.8 54 54 A 111 HIS O A 69 THR N 1.0 . 2.7 55 55 A 111 HIS H A 69 THR O 1.0 . 1.8 56 56 A 69 THR O A 111 HIS N 1.0 . 2.7 57 57 A 107 TYR H A 73 SER O 1.0 . 1.8 58 58 A 73 SER O A 107 TYR N 1.0 . 2.7 59 59 A 73 SER H A 107 TYR O 1.0 . 1.8 60 60 A 107 TYR O A 73 SER N 1.0 . 2.7 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 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 9 THR H A 44 TYR O 1.0 . 2.0 2 2 A 44 TYR O A 9 THR N 1.0 . 3.0 3 3 A 44 TYR H A 9 THR O 1.0 . 2.0 4 4 A 9 THR O A 44 TYR N 1.0 . 3.0 5 5 A 46 ASN H A 7 THR O 1.0 . 2.0 6 6 A 7 THR O A 46 ASN N 1.0 . 3.0 7 7 A 32 TRP H A 123 LEU O 1.0 . 2.0 8 8 A 123 LEU O A 32 TRP N 1.0 . 3.0 9 9 A 123 LEU H A 32 TRP O 1.0 . 2.0 10 10 A 32 TRP O A 123 LEU N 1.0 . 3.0 11 11 A 34 SER H A 121 TYR O 1.0 . 2.0 12 12 A 121 TYR O A 34 SER N 1.0 . 3.0 13 13 A 121 TYR H A 34 SER O 1.0 . 2.0 14 14 A 34 SER O A 121 TYR N 1.0 . 3.0 15 15 A 41 GLN H A 112 GLY O 1.0 . 2.0 16 16 A 112 GLY O A 41 GLN N 1.0 . 3.0 17 17 A 112 GLY H A 41 GLN O 1.0 . 2.0 18 18 A 41 GLN O A 112 GLY N 1.0 . 3.0 19 19 A 43 ILE H A 110 VAL O 1.0 . 2.0 20 20 A 110 VAL O A 43 ILE N 1.0 . 3.0 21 21 A 110 VAL H A 43 ILE O 1.0 . 2.0 22 22 A 43 ILE O A 110 VAL N 1.0 . 3.0 23 23 A 45 VAL H A 108 VAL O 1.0 . 2.0 24 24 A 108 VAL O A 45 VAL N 1.0 . 3.0 25 25 A 51 GLN H A 105 ALA O 1.0 . 2.0 26 26 A 105 ALA O A 51 GLN N 1.0 . 3.0 27 27 A 105 ALA H A 51 GLN O 1.0 . 2.0 28 28 A 51 GLN O A 105 ALA N 1.0 . 3.0 29 29 A 53 VAL H A 103 ARG O 1.0 . 2.0 30 30 A 103 ARG O A 53 VAL N 1.0 . 3.0 31 31 A 56 VAL H A 98 ILE O 1.0 . 2.0 32 32 A 98 ILE O A 56 VAL N 1.0 . 3.0 33 33 A 98 ILE H A 56 VAL O 1.0 . 2.0 34 34 A 56 VAL O A 98 ILE N 1.0 . 3.0 35 35 A 58 LEU H A 96 ASP O 1.0 . 2.0 36 36 A 96 ASP O A 58 LEU N 1.0 . 3.0 37 37 A 96 ASP H A 58 LEU O 1.0 . 2.0 38 38 A 58 LEU O A 96 ASP N 1.0 . 3.0 39 39 A 68 TYR H A 88 THR O 1.0 . 2.0 40 40 A 88 THR O A 68 TYR N 1.0 . 3.0 41 41 A 88 THR H A 68 TYR O 1.0 . 2.0 42 42 A 68 TYR O A 88 THR N 1.0 . 3.0 43 43 A 72 VAL H A 83 THR O 1.0 . 2.0 44 44 A 83 THR O A 72 VAL N 1.0 . 3.0 45 45 A 83 THR H A 72 VAL O 1.0 . 2.0 46 46 A 72 VAL O A 83 THR N 1.0 . 3.0 47 47 A 57 LYS H A 127 GLU O 1.0 . 2.0 48 48 A 127 GLU O A 57 LYS N 1.0 . 3.0 49 49 A 71 GLN H A 109 ARG O 1.0 . 2.0 50 50 A 109 ARG O A 71 GLN N 1.0 . 3.0 51 51 A 109 ARG H A 71 GLN O 1.0 . 2.0 52 52 A 71 GLN O A 109 ARG N 1.0 . 3.0 53 53 A 69 THR H A 111 HIS O 1.0 . 2.0 54 54 A 111 HIS O A 69 THR N 1.0 . 3.0 55 55 A 111 HIS H A 69 THR O 1.0 . 2.0 56 56 A 69 THR O A 111 HIS N 1.0 . 3.0 57 57 A 107 TYR H A 73 SER O 1.0 . 2.0 58 58 A 73 SER O A 107 TYR N 1.0 . 3.0 59 59 A 73 SER H A 107 TYR O 1.0 . 2.0 60 60 A 107 TYR O A 73 SER N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_6 _nef_dihedral_restraint_list.potential_type undefined _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 ASN C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -95.0 -75.0 PHI 2 2 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 ALA N 1.0 -47.0 -35.0 PSI 3 3 A 6 LYS C A 7 THR N A 7 THR CA A 7 THR C 1.0 -113.0 -51.0 PHI 4 4 A 7 THR N A 7 THR CA A 7 THR C A 8 ALA N 1.0 121.0 141.0 PSI 5 5 A 8 ALA C A 9 THR N A 9 THR CA A 9 THR C 1.0 -149.0 -119.0 PHI 6 6 A 9 THR N A 9 THR CA A 9 THR C A 10 ALA N 1.0 113.0 159.0 PSI 7 7 A 9 THR C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -141.0 -83.0 PHI 8 8 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 SER N 1.0 129.0 169.0 PSI 9 9 A 10 ALA C A 11 SER N A 11 SER CA A 11 SER C 1.0 -83.0 -59.0 PHI 10 10 A 11 SER N A 11 SER CA A 11 SER C A 12 SER N 1.0 -41.0 -19.0 PSI 11 11 A 12 SER C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -157.0 -103.0 PHI 12 12 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 GLU N 1.0 155.0 173.0 PSI 13 13 A 13 ILE C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -95.0 -61.0 PHI 14 14 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 GLY N 1.0 -49.0 -15.0 PSI 15 15 A 17 GLY C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -131.0 -75.0 PHI 16 16 A 18 PHE C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -67.0 -45.0 PHI 17 17 A 20 ALA C A 21 SER N A 21 SER CA A 21 SER C 1.0 -79.0 -59.0 PHI 18 18 A 21 SER N A 21 SER CA A 21 SER C A 22 ARG N 1.0 -43.0 -5.0 PSI 19 19 A 21 SER C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -99.0 -61.0 PHI 20 20 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 ALA N 1.0 -43.0 7.0 PSI 21 21 A 23 ALA C A 24 PHE N A 24 PHE CA A 24 PHE C 1.0 -137.0 -83.0 PHI 22 22 A 24 PHE C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -131.0 -69.0 PHI 23 23 A 26 GLY C A 27 SER N A 27 SER CA A 27 SER C 1.0 -125.0 -67.0 PHI 24 24 A 27 SER N A 27 SER CA A 27 SER C A 28 SER N 1.0 95.0 133.0 PSI 25 25 A 27 SER C A 28 SER N A 28 SER CA A 28 SER C 1.0 -73.0 -51.0 PHI 26 26 A 28 SER N A 28 SER CA A 28 SER C A 29 THR N 1.0 -43.0 -19.0 PSI 27 27 A 29 THR C A 30 THR N A 30 THR CA A 30 THR C 1.0 -137.0 -101.0 PHI 28 28 A 30 THR N A 30 THR CA A 30 THR C A 31 ARG N 1.0 125.0 151.0 PSI 29 29 A 30 THR C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -151.0 -103.0 PHI 30 30 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 TRP N 1.0 129.0 171.0 PSI 31 31 A 31 ARG C A 32 TRP N A 32 TRP CA A 32 TRP C 1.0 -127.0 -93.0 PHI 32 32 A 32 TRP N A 32 TRP CA A 32 TRP C A 33 ALA N 1.0 101.0 125.0 PSI 33 33 A 32 TRP C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -135.0 -81.0 PHI 34 34 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 SER N 1.0 121.0 145.0 PSI 35 35 A 33 ALA C A 34 SER N A 34 SER CA A 34 SER C 1.0 -155.0 -109.0 PHI 36 36 A 34 SER N A 34 SER CA A 34 SER C A 35 ALA N 1.0 145.0 177.0 PSI 37 37 A 37 GLY C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -149.0 -107.0 PHI 38 38 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 ASP N 1.0 123.0 141.0 PSI 39 39 A 38 VAL C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -128.2 -79.5 PHI 40 40 A 41 GLN C A 42 TRP N A 42 TRP CA A 42 TRP C 1.0 -151.0 -119.0 PHI 41 41 A 42 TRP N A 42 TRP CA A 42 TRP C A 43 ILE N 1.0 155.0 171.0 PSI 42 42 A 42 TRP C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -143.0 -111.0 PHI 43 43 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 TYR N 1.0 129.0 157.0 PSI 44 44 A 43 ILE C A 44 TYR N A 44 TYR CA A 44 TYR C 1.0 -147.0 -117.0 PHI 45 45 A 44 TYR N A 44 TYR CA A 44 TYR C A 45 VAL N 1.0 139.0 173.0 PSI 46 46 A 44 TYR C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -125.0 -111.0 PHI 47 47 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 ASN N 1.0 135.0 155.0 PSI 48 48 A 45 VAL C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -133.0 -75.0 PHI 49 49 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 LEU N 1.0 135.0 187.0 PSI 50 50 A 48 GLY C A 49 SER N A 49 SER CA A 49 SER C 1.0 -115.0 -75.0 PHI 51 51 A 49 SER N A 49 SER CA A 49 SER C A 50 SER N 1.0 151.0 167.0 PSI 52 52 A 49 SER C A 50 SER N A 50 SER CA A 50 SER C 1.0 -105.0 -57.0 PHI 53 53 A 50 SER N A 50 SER CA A 50 SER C A 51 GLN N 1.0 119.0 145.0 PSI 54 54 A 50 SER C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -135.0 -99.0 PHI 55 55 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 THR N 1.0 155.0 165.0 PSI 56 56 A 51 GLN C A 52 THR N A 52 THR CA A 52 THR C 1.0 -96.0 -60.0 PHI 57 57 A 52 THR N A 52 THR CA A 52 THR C A 53 VAL N 1.0 121.0 151.0 PSI 58 58 A 52 THR C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -151.0 -115.0 PHI 59 59 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 ASN N 1.0 149.0 165.0 PSI 60 60 A 53 VAL C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -153.0 -99.0 PHI 61 61 A 54 ASN C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -133.0 -111.0 PHI 62 62 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 VAL N 1.0 121.0 149.0 PSI 63 63 A 55 ARG C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -137.0 -113.0 PHI 64 64 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 LYS N 1.0 127.0 151.0 PSI 65 65 A 56 VAL C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -127.0 -109.0 PHI 66 66 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 LEU N 1.0 115.0 135.0 PSI 67 67 A 57 LYS C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -137.0 -87.0 PHI 68 68 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 ASN N 1.0 115.0 159.0 PSI 69 69 A 58 LEU C A 59 ASN N A 59 ASN CA A 59 ASN C 1.0 -123.0 -83.0 PHI 70 70 A 59 ASN N A 59 ASN CA A 59 ASN C A 60 TRP N 1.0 105.0 169.0 PSI 71 71 A 60 TRP C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -85.0 -53.0 PHI 72 72 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 ALA N 1.0 -49.0 -27.0 PSI 73 73 A 62 ALA C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -103.0 -81.0 PHI 74 74 A 64 TYR N A 64 TYR CA A 64 TYR C A 65 ALA N 1.0 123.0 165.0 PSI 75 75 A 64 TYR C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -131.0 -89.0 PHI 76 76 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 SER N 1.0 115.0 153.0 PSI 77 77 A 66 SER C A 67 SER N A 67 SER CA A 67 SER C 1.0 -159.0 -89.0 PHI 78 78 A 67 SER N A 67 SER CA A 67 SER C A 68 TYR N 1.0 143.0 169.0 PSI 79 79 A 68 TYR N A 68 TYR CA A 68 TYR C A 69 THR N 1.0 133.0 163.0 PSI 80 80 A 68 TYR C A 69 THR N A 69 THR CA A 69 THR C 1.0 -149.0 -129.0 PHI 81 81 A 69 THR N A 69 THR CA A 69 THR C A 70 ILE N 1.0 155.0 173.0 PSI 82 82 A 69 THR C A 70 ILE N A 70 ILE CA A 70 ILE C 1.0 -139.0 -101.0 PHI 83 83 A 70 ILE C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -135.0 -101.0 PHI 84 84 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 VAL N 1.0 145.0 169.0 PSI 85 85 A 71 GLN C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -155.0 -105.0 PHI 86 86 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 SER N 1.0 143.0 175.0 PSI 87 87 A 72 VAL C A 73 SER N A 73 SER CA A 73 SER C 1.0 -125.0 -85.0 PHI 88 88 A 73 SER N A 73 SER CA A 73 SER C A 74 ASN N 1.0 117.0 135.0 PSI 89 89 A 74 ASN C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -69.0 -59.0 PHI 90 90 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 SER N 1.0 -35.0 -17.0 PSI 91 91 A 76 SER N A 76 SER CA A 76 SER C A 77 GLY N 1.0 -23.0 5.0 PSI 92 92 A 80 THR C A 81 ASN N A 81 ASN CA A 81 ASN C 1.0 -107.0 -71.0 PHI 93 93 A 81 ASN N A 81 ASN CA A 81 ASN C A 82 TRP N 1.0 119.0 149.0 PSI 94 94 A 81 ASN C A 82 TRP N A 82 TRP CA A 82 TRP C 1.0 -127.0 -99.0 PHI 95 95 A 82 TRP N A 82 TRP CA A 82 TRP C A 83 THR N 1.0 115.0 139.0 PSI 96 96 A 82 TRP C A 83 THR N A 83 THR CA A 83 THR C 1.0 -133.0 -83.0 PHI 97 97 A 83 THR N A 83 THR CA A 83 THR C A 84 THR N 1.0 115.0 139.0 PSI 98 98 A 85 VAL C A 86 TYR N A 86 TYR CA A 86 TYR C 1.0 -167.0 -129.0 PHI 99 99 A 86 TYR N A 86 TYR CA A 86 TYR C A 87 THR N 1.0 133.0 151.0 PSI 100 100 A 87 THR N A 87 THR CA A 87 THR C A 88 THR N 1.0 125.0 143.0 PSI 101 101 A 87 THR C A 88 THR N A 88 THR CA A 88 THR C 1.0 -167.0 -105.0 PHI 102 102 A 88 THR N A 88 THR CA A 88 THR C A 89 THR N 1.0 137.0 169.0 PSI 103 103 A 89 THR C A 90 THR N A 90 THR CA A 90 THR C 1.0 -125.0 -79.0 PHI 104 104 A 91 GLY C A 92 ASP N A 92 ASP CA A 92 ASP C 1.0 -135.0 -77.0 PHI 105 105 A 92 ASP N A 92 ASP CA A 92 ASP C A 93 GLY N 1.0 129.0 167.0 PSI 106 106 A 94 GLY C A 95 ILE N A 95 ILE CA A 95 ILE C 1.0 -119.0 -89.0 PHI 107 107 A 95 ILE N A 95 ILE CA A 95 ILE C A 96 ASP N 1.0 99.0 131.0 PSI 108 108 A 95 ILE C A 96 ASP N A 96 ASP CA A 96 ASP C 1.0 -127.0 -89.0 PHI 109 109 A 96 ASP N A 96 ASP CA A 96 ASP C A 97 ASP N 1.0 109.0 131.0 PSI 110 110 A 96 ASP C A 97 ASP N A 97 ASP CA A 97 ASP C 1.0 -118.8 -86.5 PHI 111 111 A 97 ASP N A 97 ASP CA A 97 ASP C A 98 ILE N 1.0 117.3 125.6 PSI 112 112 A 97 ASP C A 98 ILE N A 98 ILE CA A 98 ILE C 1.0 -121.0 -103.0 PHI 113 113 A 98 ILE N A 98 ILE CA A 98 ILE C A 99 THR N 1.0 117.0 139.0 PSI 114 114 A 98 ILE C A 99 THR N A 99 THR CA A 99 THR C 1.0 -147.0 -99.0 PHI 115 115 A 99 THR N A 99 THR CA A 99 THR C A 100 PHE N 1.0 120.0 158.0 PSI 116 116 A 99 THR C A 100 PHE N A 100 PHE CA A 100 PHE C 1.0 -144.4 -94.5 PHI 117 117 A 100 PHE C A 101 THR N A 101 THR CA A 101 THR C 1.0 -81.7 -61.2 PHI 118 118 A 101 THR N A 101 THR CA A 101 THR C A 102 ALA N 1.0 120.0 158.8 PSI 119 119 A 103 ARG N A 103 ARG CA A 103 ARG C A 104 THR N 1.0 149.0 171.0 PSI 120 120 A 103 ARG C A 104 THR N A 104 THR CA A 104 THR C 1.0 -107.0 -71.0 PHI 121 121 A 104 THR N A 104 THR CA A 104 THR C A 105 ALA N 1.0 119.0 153.0 PSI 122 122 A 104 THR C A 105 ALA N A 105 ALA CA A 105 ALA C 1.0 -155.0 -117.0 PHI 123 123 A 105 ALA N A 105 ALA CA A 105 ALA C A 106 LYS N 1.0 143.0 171.0 PSI 124 124 A 107 TYR C A 108 VAL N A 108 VAL CA A 108 VAL C 1.0 -135.0 -107.0 PHI 125 125 A 108 VAL N A 108 VAL CA A 108 VAL C A 109 ARG N 1.0 135.0 153.0 PSI 126 126 A 108 VAL C A 109 ARG N A 109 ARG CA A 109 ARG C 1.0 -138.5 -113.7 PHI 127 127 A 109 ARG N A 109 ARG CA A 109 ARG C A 110 VAL N 1.0 128.0 147.7 PSI 128 128 A 109 ARG C A 110 VAL N A 110 VAL CA A 110 VAL C 1.0 -121.0 -99.0 PHI 129 129 A 110 VAL N A 110 VAL CA A 110 VAL C A 111 HIS N 1.0 109.0 133.0 PSI 130 130 A 110 VAL C A 111 HIS N A 111 HIS CA A 111 HIS C 1.0 -131.0 -89.0 PHI 131 131 A 111 HIS N A 111 HIS CA A 111 HIS C A 112 GLY N 1.0 107.0 145.0 PSI 132 132 A 112 GLY C A 113 THR N A 113 THR CA A 113 THR C 1.0 -157.0 -87.0 PHI 133 133 A 113 THR C A 114 VAL N A 114 VAL CA A 114 VAL C 1.0 -147.0 -95.0 PHI 134 134 A 114 VAL N A 114 VAL CA A 114 VAL C A 115 ARG N 1.0 113.0 137.0 PSI 135 135 A 114 VAL C A 115 ARG N A 115 ARG CA A 115 ARG C 1.0 -143.0 -77.0 PHI 136 136 A 115 ARG N A 115 ARG CA A 115 ARG C A 116 GLY N 1.0 135.0 181.0 PSI 137 137 A 118 PRO C A 119 TYR N A 119 TYR CA A 119 TYR C 1.0 -113.5 -66.0 PHI 138 138 A 119 TYR N A 119 TYR CA A 119 TYR C A 120 GLY N 1.0 91.9 139.0 PSI 139 139 A 120 GLY C A 121 TYR N A 121 TYR CA A 121 TYR C 1.0 -143.0 -93.0 PHI 140 140 A 121 TYR N A 121 TYR CA A 121 TYR C A 122 SER N 1.0 145.0 169.0 PSI 141 141 A 121 TYR C A 122 SER N A 122 SER CA A 122 SER C 1.0 -135.0 -85.0 PHI 142 142 A 122 SER N A 122 SER CA A 122 SER C A 123 LEU N 1.0 115.0 153.0 PSI 143 143 A 123 LEU C A 124 TRP N A 124 TRP CA A 124 TRP C 1.0 -99.0 -75.0 PHI 144 144 A 124 TRP C A 125 GLU N A 125 GLU CA A 125 GLU C 1.0 -151.0 -131.0 PHI 145 145 A 125 GLU N A 125 GLU CA A 125 GLU C A 126 PHE N 1.0 141.0 155.0 PSI 146 146 A 125 GLU C A 126 PHE N A 126 PHE CA A 126 PHE C 1.0 -132.8 -107.7 PHI 147 147 A 126 PHE N A 126 PHE CA A 126 PHE C A 127 GLU N 1.0 116.3 136.1 PSI 148 148 A 126 PHE C A 127 GLU N A 127 GLU CA A 127 GLU C 1.0 -147.0 -107.0 PHI 149 149 A 127 GLU N A 127 GLU CA A 127 GLU C A 128 VAL N 1.0 127.0 161.0 PSI 150 150 A 127 GLU C A 128 VAL N A 128 VAL CA A 128 VAL C 1.0 -141.0 -115.0 PHI 151 151 A 128 VAL N A 128 VAL CA A 128 VAL C A 129 TYR N 1.0 117.0 141.0 PSI 152 152 A 128 VAL C A 129 TYR N A 129 TYR CA A 129 TYR C 1.0 -139.0 -121.0 PHI 153 153 A 129 TYR N A 129 TYR CA A 129 TYR C A 130 GLY N 1.0 135.0 159.0 PSI 154 154 A 0 HIS C A 1 ASN N A 1 ASN CA A 1 ASN C 1.0 -205.0 95.0 PHI 155 155 A 1 ASN N A 1 ASN CA A 1 ASN CB A 1 ASN CG 1.0 -225.0 115.0 CHI1 156 156 A 1 ASN CA A 1 ASN CB A 1 ASN CG A 1 ASN OD1 1.0 -145.0 145.0 CHI2 157 157 A 1 ASN N A 1 ASN CA A 1 ASN C A 2 LEU N 1.0 -15.0 205.0 PSI 158 158 A 2 LEU N A 2 LEU CA A 2 LEU CB A 2 LEU CG 1.0 -175.0 -45.0 CHI1 159 159 A 2 LEU CA A 2 LEU CB A 2 LEU CG A 2 LEU CD1 1.0 -325.0 -35.0 CHI2 160 160 A 2 LEU CA A 2 LEU CB A 2 LEU CG A 2 LEU CD1 1.0 -95.0 205.0 CHI2 161 161 A 2 LEU C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -315.0 -45.0 PHI 162 162 A 2 LEU C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -185.0 75.0 PHI 163 163 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 LEU N 1.0 -85.0 85.0 PSI 164 164 A 3 ALA C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -165.0 -65.0 PHI 165 165 A 4 LEU N A 4 LEU CA A 4 LEU CB A 4 LEU CG 1.0 -195.0 -115.0 CHI1 166 166 A 4 LEU CA A 4 LEU CB A 4 LEU CG A 4 LEU CD1 1.0 -325.0 -35.0 CHI2 167 167 A 4 LEU CA A 4 LEU CB A 4 LEU CG A 4 LEU CD1 1.0 -85.0 205.0 CHI2 168 168 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 ASN N 1.0 5.0 125.0 PSI 169 169 A 4 LEU C A 5 ASN N A 5 ASN CA A 5 ASN C 1.0 -185.0 -45.0 PHI 170 170 A 5 ASN N A 5 ASN CA A 5 ASN CB A 5 ASN CG 1.0 -225.0 115.0 CHI1 171 171 A 5 ASN N A 5 ASN CA A 5 ASN CB A 5 ASN CG 1.0 -125.0 195.0 CHI1 172 172 A 5 ASN CA A 5 ASN CB A 5 ASN CG A 5 ASN OD1 1.0 -145.0 145.0 CHI2 173 173 A 5 ASN N A 5 ASN CA A 5 ASN C A 6 LYS N 1.0 -85.0 15.0 PSI 174 174 A 7 THR N A 7 THR CA A 7 THR CB A 7 THR OG1 1.0 35.0 195.0 CHI1 175 175 A 7 THR N A 7 THR CA A 7 THR CB A 7 THR OG1 1.0 -205.0 95.0 CHI1 176 176 A 7 THR C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -315.0 -45.0 PHI 177 177 A 7 THR C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -185.0 75.0 PHI 178 178 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 THR N 1.0 15.0 205.0 PSI 179 179 A 9 THR N A 9 THR CA A 9 THR CB A 9 THR OG1 1.0 -205.0 15.0 CHI1 180 180 A 9 THR N A 9 THR CA A 9 THR CB A 9 THR OG1 1.0 -75.0 205.0 CHI1 181 181 A 11 SER N A 11 SER CA A 11 SER CB A 11 SER OG 1.0 -275.0 65.0 CHI1 182 182 A 11 SER N A 11 SER CA A 11 SER CB A 11 SER OG 1.0 -35.0 305.0 CHI1 183 183 A 11 SER C A 12 SER N A 12 SER CA A 12 SER C 1.0 -315.0 -45.0 PHI 184 184 A 11 SER C A 12 SER N A 12 SER CA A 12 SER C 1.0 -185.0 75.0 PHI 185 185 A 12 SER N A 12 SER CA A 12 SER CB A 12 SER OG 1.0 -65.0 55.0 CHI1 186 186 A 12 SER N A 12 SER CA A 12 SER C A 13 ILE N 1.0 145.0 195.0 PSI 187 187 A 13 ILE N A 13 ILE CA A 13 ILE CB A 13 ILE CG1 1.0 -335.0 -25.0 CHI1 188 188 A 13 ILE N A 13 ILE CA A 13 ILE CB A 13 ILE CG1 1.0 -175.0 85.0 CHI1 189 189 A 13 ILE N A 13 ILE CA A 13 ILE CB A 13 ILE CG1 1.0 -55.0 205.0 CHI1 190 190 A 13 ILE CA A 13 ILE CB A 13 ILE CG1 A 13 ILE CD1 1.0 -305.0 -45.0 CHI21 191 191 A 13 ILE CA A 13 ILE CB A 13 ILE CG1 A 13 ILE CD1 1.0 -75.0 195.0 CHI21 192 192 A 14 GLU N A 14 GLU CA A 14 GLU CB A 14 GLU CG 1.0 -185.0 -75.0 CHI1 193 193 A 14 GLU CA A 14 GLU CB A 14 GLU CG A 14 GLU CD 1.0 -335.0 -25.0 CHI2 194 194 A 14 GLU C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -315.0 -45.0 PHI 195 195 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 ALA N 1.0 -235.0 -125.0 PSI 196 196 A 15 GLY C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 45.0 295.0 PHI 197 197 A 15 GLY C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -185.0 75.0 PHI 198 198 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 GLY N 1.0 25.0 135.0 PSI 199 199 A 16 ALA C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -315.0 -45.0 PHI 200 200 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 PHE N 1.0 -85.0 85.0 PSI 201 201 A 18 PHE N A 18 PHE CA A 18 PHE CB A 18 PHE CG 1.0 -145.0 -25.0 CHI1 202 202 A 18 PHE CA A 18 PHE CB A 18 PHE CG A 18 PHE CD1 1.0 -335.0 -25.0 CHI2 203 203 A 18 PHE CA A 18 PHE CB A 18 PHE CG A 18 PHE CD1 1.0 -85.0 155.0 CHI2 204 204 A 19 GLU N A 19 GLU CA A 19 GLU CB A 19 GLU CG 1.0 -205.0 -35.0 CHI1 205 205 A 19 GLU CA A 19 GLU CB A 19 GLU CG A 19 GLU CD 1.0 -335.0 -25.0 CHI2 206 206 A 22 ARG N A 22 ARG CA A 22 ARG CB A 22 ARG CG 1.0 -205.0 -105.0 CHI1 207 207 A 22 ARG CA A 22 ARG CB A 22 ARG CG A 22 ARG CD 1.0 -315.0 -35.0 CHI2 208 208 A 22 ARG C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -315.0 -45.0 PHI 209 209 A 22 ARG C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -185.0 75.0 PHI 210 210 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 PHE N 1.0 -85.0 85.0 PSI 211 211 A 24 PHE N A 24 PHE CA A 24 PHE CB A 24 PHE CG 1.0 -335.0 -25.0 CHI1 212 212 A 24 PHE N A 24 PHE CA A 24 PHE CB A 24 PHE CG 1.0 -205.0 35.0 CHI1 213 213 A 24 PHE CA A 24 PHE CB A 24 PHE CG A 24 PHE CD1 1.0 -335.0 -25.0 CHI2 214 214 A 24 PHE CA A 24 PHE CB A 24 PHE CG A 24 PHE CD1 1.0 -155.0 155.0 CHI2 215 215 A 24 PHE N A 24 PHE CA A 24 PHE C A 25 ASP N 1.0 -85.0 -5.0 PSI 216 216 A 25 ASP N A 25 ASP CA A 25 ASP CB A 25 ASP CG 1.0 -225.0 115.0 CHI1 217 217 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 GLY N 1.0 -85.0 65.0 PSI 218 218 A 25 ASP C A 26 GLY N A 26 GLY CA A 26 GLY C 1.0 -315.0 -45.0 PHI 219 219 A 26 GLY N A 26 GLY CA A 26 GLY C A 27 SER N 1.0 -105.0 105.0 PSI 220 220 A 28 SER C A 29 THR N A 29 THR CA A 29 THR C 1.0 -315.0 -45.0 PHI 221 221 A 28 SER C A 29 THR N A 29 THR CA A 29 THR C 1.0 -185.0 75.0 PHI 222 222 A 29 THR N A 29 THR CA A 29 THR CB A 29 THR OG1 1.0 -215.0 95.0 CHI1 223 223 A 29 THR N A 29 THR CA A 29 THR CB A 29 THR OG1 1.0 -75.0 205.0 CHI1 224 224 A 29 THR N A 29 THR CA A 29 THR C A 30 THR N 1.0 -85.0 35.0 PSI 225 225 A 30 THR N A 30 THR CA A 30 THR CB A 30 THR OG1 1.0 -215.0 95.0 CHI1 226 226 A 30 THR N A 30 THR CA A 30 THR CB A 30 THR OG1 1.0 -55.0 165.0 CHI1 227 227 A 31 ARG N A 31 ARG CA A 31 ARG CB A 31 ARG CG 1.0 -335.0 -25.0 CHI1 228 228 A 31 ARG N A 31 ARG CA A 31 ARG CB A 31 ARG CG 1.0 -205.0 95.0 CHI1 229 229 A 31 ARG CA A 31 ARG CB A 31 ARG CG A 31 ARG CD 1.0 -325.0 -35.0 CHI2 230 230 A 32 TRP N A 32 TRP CA A 32 TRP CB A 32 TRP CG 1.0 -205.0 -95.0 CHI1 231 231 A 32 TRP CA A 32 TRP CB A 32 TRP CG A 32 TRP CD1 1.0 -145.0 145.0 CHI2 232 232 A 34 SER N A 34 SER CA A 34 SER CB A 34 SER OG 1.0 -195.0 55.0 CHI1 233 233 A 34 SER C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -315.0 -45.0 PHI 234 234 A 34 SER C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -185.0 75.0 PHI 235 235 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 GLU N 1.0 25.0 195.0 PSI 236 236 A 35 ALA C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -145.0 -45.0 PHI 237 237 A 36 GLU N A 36 GLU CA A 36 GLU CB A 36 GLU CG 1.0 -325.0 -35.0 CHI1 238 238 A 36 GLU N A 36 GLU CA A 36 GLU CB A 36 GLU CG 1.0 -55.0 65.0 CHI1 239 239 A 36 GLU CA A 36 GLU CB A 36 GLU CG A 36 GLU CD 1.0 -325.0 -35.0 CHI2 240 240 A 36 GLU CA A 36 GLU CB A 36 GLU CG A 36 GLU CD 1.0 -285.0 55.0 CHI2 241 241 A 36 GLU CA A 36 GLU CB A 36 GLU CG A 36 GLU CD 1.0 -95.0 245.0 CHI2 242 242 A 36 GLU CA A 36 GLU CB A 36 GLU CG A 36 GLU CD 1.0 -75.0 275.0 CHI2 243 243 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 GLY N 1.0 -195.0 -165.0 PSI 244 244 A 36 GLU C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 -315.0 -45.0 PHI 245 245 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 VAL N 1.0 -125.0 125.0 PSI 246 246 A 38 VAL N A 38 VAL CA A 38 VAL CB A 38 VAL CG1 1.0 55.0 205.0 CHI1 247 247 A 38 VAL N A 38 VAL CA A 38 VAL CB A 38 VAL CG1 1.0 -195.0 85.0 CHI1 248 248 A 40 PRO N A 40 PRO CA A 40 PRO C A 41 GLN N 1.0 145.0 195.0 PSI 249 249 A 40 PRO C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -315.0 -45.0 PHI 250 250 A 40 PRO C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -185.0 75.0 PHI 251 251 A 41 GLN N A 41 GLN CA A 41 GLN CB A 41 GLN CG 1.0 -205.0 -25.0 CHI1 252 252 A 41 GLN CA A 41 GLN CB A 41 GLN CG A 41 GLN CD 1.0 -335.0 -25.0 CHI2 253 253 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 TRP N 1.0 -25.0 195.0 PSI 254 254 A 42 TRP N A 42 TRP CA A 42 TRP CB A 42 TRP CG 1.0 -335.0 -25.0 CHI1 255 255 A 42 TRP N A 42 TRP CA A 42 TRP CB A 42 TRP CG 1.0 -195.0 95.0 CHI1 256 256 A 42 TRP CA A 42 TRP CB A 42 TRP CG A 42 TRP CD1 1.0 -135.0 135.0 CHI2 257 257 A 43 ILE N A 43 ILE CA A 43 ILE CB A 43 ILE CG1 1.0 -335.0 -25.0 CHI1 258 258 A 43 ILE N A 43 ILE CA A 43 ILE CB A 43 ILE CG1 1.0 -195.0 85.0 CHI1 259 259 A 43 ILE N A 43 ILE CA A 43 ILE CB A 43 ILE CG1 1.0 -75.0 205.0 CHI1 260 260 A 43 ILE CA A 43 ILE CB A 43 ILE CG1 A 43 ILE CD1 1.0 -315.0 -45.0 CHI21 261 261 A 43 ILE CA A 43 ILE CB A 43 ILE CG1 A 43 ILE CD1 1.0 -85.0 195.0 CHI21 262 262 A 44 TYR N A 44 TYR CA A 44 TYR CB A 44 TYR CG 1.0 -335.0 -25.0 CHI1 263 263 A 44 TYR N A 44 TYR CA A 44 TYR CB A 44 TYR CG 1.0 -175.0 85.0 CHI1 264 264 A 44 TYR N A 44 TYR CA A 44 TYR CB A 44 TYR CG 1.0 -125.0 225.0 CHI1 265 265 A 44 TYR CA A 44 TYR CB A 44 TYR CG A 44 TYR CD1 1.0 -325.0 -25.0 CHI2 266 266 A 44 TYR CA A 44 TYR CB A 44 TYR CG A 44 TYR CD1 1.0 -145.0 155.0 CHI2 267 267 A 45 VAL N A 45 VAL CA A 45 VAL CB A 45 VAL CG1 1.0 -85.0 -75.0 CHI1 268 268 A 46 ASN N A 46 ASN CA A 46 ASN CB A 46 ASN CG 1.0 25.0 285.0 CHI1 269 269 A 46 ASN N A 46 ASN CA A 46 ASN CB A 46 ASN CG 1.0 -225.0 35.0 CHI1 270 270 A 46 ASN CA A 46 ASN CB A 46 ASN CG A 46 ASN OD1 1.0 -145.0 145.0 CHI2 271 271 A 46 ASN C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -155.0 -45.0 PHI 272 272 A 47 LEU N A 47 LEU CA A 47 LEU CB A 47 LEU CG 1.0 -205.0 -105.0 CHI1 273 273 A 47 LEU CA A 47 LEU CB A 47 LEU CG A 47 LEU CD1 1.0 -325.0 -35.0 CHI2 274 274 A 47 LEU CA A 47 LEU CB A 47 LEU CG A 47 LEU CD1 1.0 -85.0 205.0 CHI2 275 275 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 GLY N 1.0 -85.0 -5.0 PSI 276 276 A 47 LEU C A 48 GLY N A 48 GLY CA A 48 GLY C 1.0 -315.0 -45.0 PHI 277 277 A 48 GLY N A 48 GLY CA A 48 GLY C A 49 SER N 1.0 -105.0 105.0 PSI 278 278 A 49 SER N A 49 SER CA A 49 SER CB A 49 SER OG 1.0 -5.0 45.0 CHI1 279 279 A 49 SER CA A 49 SER CB A 49 SER OG A 49 SER HG 1.0 15.0 315.0 CHI2 280 280 A 51 GLN N A 51 GLN CA A 51 GLN CB A 51 GLN CG 1.0 -45.0 -25.0 CHI1 281 281 A 51 GLN CA A 51 GLN CB A 51 GLN CG A 51 GLN CD 1.0 -285.0 -65.0 CHI2 282 282 A 51 GLN CA A 51 GLN CB A 51 GLN CG A 51 GLN CD 1.0 -195.0 115.0 CHI2 283 283 A 51 GLN CA A 51 GLN CB A 51 GLN CG A 51 GLN CD 1.0 -75.0 235.0 CHI2 284 284 A 52 THR N A 52 THR CA A 52 THR CB A 52 THR OG1 1.0 -195.0 -5.0 CHI1 285 285 A 52 THR N A 52 THR CA A 52 THR CB A 52 THR OG1 1.0 -65.0 195.0 CHI1 286 286 A 53 VAL N A 53 VAL CA A 53 VAL CB A 53 VAL CG1 1.0 45.0 205.0 CHI1 287 287 A 53 VAL N A 53 VAL CA A 53 VAL CB A 53 VAL CG1 1.0 -185.0 85.0 CHI1 288 288 A 54 ASN N A 54 ASN CA A 54 ASN CB A 54 ASN CG 1.0 -225.0 115.0 CHI1 289 289 A 54 ASN CA A 54 ASN CB A 54 ASN CG A 54 ASN OD1 1.0 -345.0 -15.0 CHI2 290 290 A 54 ASN CA A 54 ASN CB A 54 ASN CG A 54 ASN OD1 1.0 -145.0 145.0 CHI2 291 291 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 ARG N 1.0 -75.0 55.0 PSI 292 292 A 55 ARG N A 55 ARG CA A 55 ARG CB A 55 ARG CG 1.0 -165.0 -85.0 CHI1 293 293 A 55 ARG CA A 55 ARG CB A 55 ARG CG A 55 ARG CD 1.0 -315.0 -45.0 CHI2 294 294 A 56 VAL N A 56 VAL CA A 56 VAL CB A 56 VAL CG1 1.0 45.0 205.0 CHI1 295 295 A 56 VAL N A 56 VAL CA A 56 VAL CB A 56 VAL CG1 1.0 -195.0 85.0 CHI1 296 296 A 57 LYS N A 57 LYS CA A 57 LYS CB A 57 LYS CG 1.0 -165.0 -85.0 CHI1 297 297 A 57 LYS CA A 57 LYS CB A 57 LYS CG A 57 LYS CD 1.0 -315.0 -35.0 CHI2 298 298 A 58 LEU N A 58 LEU CA A 58 LEU CB A 58 LEU CG 1.0 -355.0 -5.0 CHI1 299 299 A 58 LEU N A 58 LEU CA A 58 LEU CB A 58 LEU CG 1.0 -215.0 105.0 CHI1 300 300 A 58 LEU N A 58 LEU CA A 58 LEU CB A 58 LEU CG 1.0 -185.0 165.0 CHI1 301 301 A 58 LEU CA A 58 LEU CB A 58 LEU CG A 58 LEU CD1 1.0 -325.0 -35.0 CHI2 302 302 A 58 LEU CA A 58 LEU CB A 58 LEU CG A 58 LEU CD1 1.0 -95.0 205.0 CHI2 303 303 A 59 ASN N A 59 ASN CA A 59 ASN CB A 59 ASN CG 1.0 15.0 275.0 CHI1 304 304 A 59 ASN N A 59 ASN CA A 59 ASN CB A 59 ASN CG 1.0 -225.0 35.0 CHI1 305 305 A 59 ASN CA A 59 ASN CB A 59 ASN CG A 59 ASN OD1 1.0 -145.0 145.0 CHI2 306 306 A 59 ASN C A 60 TRP N A 60 TRP CA A 60 TRP C 1.0 -305.0 -45.0 PHI 307 307 A 59 ASN C A 60 TRP N A 60 TRP CA A 60 TRP C 1.0 -185.0 65.0 PHI 308 308 A 60 TRP N A 60 TRP CA A 60 TRP CB A 60 TRP CG 1.0 -335.0 -25.0 CHI1 309 309 A 60 TRP N A 60 TRP CA A 60 TRP CB A 60 TRP CG 1.0 -205.0 95.0 CHI1 310 310 A 60 TRP CA A 60 TRP CB A 60 TRP CG A 60 TRP CD1 1.0 -145.0 145.0 CHI2 311 311 A 60 TRP N A 60 TRP CA A 60 TRP C A 61 GLU N 1.0 -255.0 15.0 PSI 312 312 A 60 TRP N A 60 TRP CA A 60 TRP C A 61 GLU N 1.0 -35.0 195.0 PSI 313 313 A 61 GLU N A 61 GLU CA A 61 GLU CB A 61 GLU CG 1.0 -285.0 -25.0 CHI1 314 314 A 61 GLU N A 61 GLU CA A 61 GLU CB A 61 GLU CG 1.0 -205.0 95.0 CHI1 315 315 A 61 GLU CA A 61 GLU CB A 61 GLU CG A 61 GLU CD 1.0 -345.0 -15.0 CHI2 316 316 A 64 TYR N A 64 TYR CA A 64 TYR CB A 64 TYR CG 1.0 -335.0 -25.0 CHI1 317 317 A 64 TYR N A 64 TYR CA A 64 TYR CB A 64 TYR CG 1.0 -205.0 95.0 CHI1 318 318 A 64 TYR CA A 64 TYR CB A 64 TYR CG A 64 TYR CD1 1.0 -335.0 -25.0 CHI2 319 319 A 64 TYR CA A 64 TYR CB A 64 TYR CG A 64 TYR CD1 1.0 -155.0 155.0 CHI2 320 320 A 65 ALA C A 66 SER N A 66 SER CA A 66 SER C 1.0 -185.0 -45.0 PHI 321 321 A 66 SER N A 66 SER CA A 66 SER CB A 66 SER OG 1.0 -265.0 65.0 CHI1 322 322 A 66 SER N A 66 SER CA A 66 SER C A 67 SER N 1.0 -85.0 -15.0 PSI 323 323 A 68 TYR N A 68 TYR CA A 68 TYR CB A 68 TYR CG 1.0 -335.0 -25.0 CHI1 324 324 A 68 TYR N A 68 TYR CA A 68 TYR CB A 68 TYR CG 1.0 -205.0 95.0 CHI1 325 325 A 68 TYR CA A 68 TYR CB A 68 TYR CG A 68 TYR CD1 1.0 -335.0 -25.0 CHI2 326 326 A 68 TYR CA A 68 TYR CB A 68 TYR CG A 68 TYR CD1 1.0 -155.0 155.0 CHI2 327 327 A 69 THR N A 69 THR CA A 69 THR CB A 69 THR OG1 1.0 -205.0 95.0 CHI1 328 328 A 69 THR N A 69 THR CA A 69 THR CB A 69 THR OG1 1.0 -55.0 165.0 CHI1 329 329 A 70 ILE N A 70 ILE CA A 70 ILE CB A 70 ILE CG1 1.0 -45.0 -25.0 CHI1 330 330 A 70 ILE CA A 70 ILE CB A 70 ILE CG1 A 70 ILE CD1 1.0 -275.0 -45.0 CHI21 331 331 A 70 ILE CA A 70 ILE CB A 70 ILE CG1 A 70 ILE CD1 1.0 -185.0 105.0 CHI21 332 332 A 70 ILE CA A 70 ILE CB A 70 ILE CG1 A 70 ILE CD1 1.0 -65.0 195.0 CHI21 333 333 A 71 GLN N A 71 GLN CA A 71 GLN CB A 71 GLN CG 1.0 -335.0 -25.0 CHI1 334 334 A 71 GLN N A 71 GLN CA A 71 GLN CB A 71 GLN CG 1.0 -175.0 55.0 CHI1 335 335 A 71 GLN N A 71 GLN CA A 71 GLN CB A 71 GLN CG 1.0 -85.0 265.0 CHI1 336 336 A 71 GLN CA A 71 GLN CB A 71 GLN CG A 71 GLN CD 1.0 -325.0 -25.0 CHI2 337 337 A 72 VAL N A 72 VAL CA A 72 VAL CB A 72 VAL CG1 1.0 -95.0 -45.0 CHI1 338 338 A 73 SER C A 74 ASN N A 74 ASN CA A 74 ASN C 1.0 -315.0 -45.0 PHI 339 339 A 73 SER C A 74 ASN N A 74 ASN CA A 74 ASN C 1.0 -185.0 75.0 PHI 340 340 A 74 ASN N A 74 ASN CA A 74 ASN CB A 74 ASN CG 1.0 -225.0 115.0 CHI1 341 341 A 74 ASN CA A 74 ASN CB A 74 ASN CG A 74 ASN OD1 1.0 -145.0 145.0 CHI2 342 342 A 74 ASN N A 74 ASN CA A 74 ASN C A 75 ASP N 1.0 -85.0 205.0 PSI 343 343 A 75 ASP N A 75 ASP CA A 75 ASP CB A 75 ASP CG 1.0 -225.0 -115.0 CHI1 344 344 A 75 ASP C A 76 SER N A 76 SER CA A 76 SER C 1.0 -145.0 -55.0 PHI 345 345 A 76 SER N A 76 SER CA A 76 SER CB A 76 SER OG 1.0 -265.0 85.0 CHI1 346 346 A 76 SER N A 76 SER CA A 76 SER CB A 76 SER OG 1.0 -25.0 205.0 CHI1 347 347 A 76 SER C A 77 GLY N A 77 GLY CA A 77 GLY C 1.0 -315.0 -45.0 PHI 348 348 A 77 GLY C A 78 THR N A 78 THR CA A 78 THR C 1.0 -315.0 -45.0 PHI 349 349 A 77 GLY C A 78 THR N A 78 THR CA A 78 THR C 1.0 -185.0 75.0 PHI 350 350 A 78 THR N A 78 THR CA A 78 THR CB A 78 THR OG1 1.0 -205.0 75.0 CHI1 351 351 A 78 THR N A 78 THR CA A 78 THR CB A 78 THR OG1 1.0 -65.0 185.0 CHI1 352 352 A 78 THR N A 78 THR CA A 78 THR C A 79 PRO N 1.0 55.0 165.0 PSI 353 353 A 78 THR N A 78 THR CA A 78 THR C A 79 PRO N 1.0 -215.0 85.0 PSI 354 354 A 79 PRO C A 80 THR N A 80 THR CA A 80 THR C 1.0 -165.0 -45.0 PHI 355 355 A 80 THR N A 80 THR CA A 80 THR CB A 80 THR OG1 1.0 -75.0 5.0 CHI1 356 356 A 80 THR N A 80 THR CA A 80 THR C A 81 ASN N 1.0 -85.0 -5.0 PSI 357 357 A 81 ASN N A 81 ASN CA A 81 ASN CB A 81 ASN CG 1.0 -225.0 -75.0 CHI1 358 358 A 81 ASN N A 81 ASN CA A 81 ASN CB A 81 ASN CG 1.0 -145.0 155.0 CHI1 359 359 A 81 ASN CA A 81 ASN CB A 81 ASN CG A 81 ASN OD1 1.0 -295.0 25.0 CHI2 360 360 A 81 ASN CA A 81 ASN CB A 81 ASN CG A 81 ASN OD1 1.0 -145.0 135.0 CHI2 361 361 A 82 TRP N A 82 TRP CA A 82 TRP CB A 82 TRP CG 1.0 -155.0 -85.0 CHI1 362 362 A 82 TRP CA A 82 TRP CB A 82 TRP CG A 82 TRP CD1 1.0 -345.0 -5.0 CHI2 363 363 A 82 TRP CA A 82 TRP CB A 82 TRP CG A 82 TRP CD1 1.0 -145.0 135.0 CHI2 364 364 A 83 THR N A 83 THR CA A 83 THR CB A 83 THR OG1 1.0 -45.0 15.0 CHI1 365 365 A 83 THR C A 84 THR N A 84 THR CA A 84 THR C 1.0 -315.0 -45.0 PHI 366 366 A 83 THR C A 84 THR N A 84 THR CA A 84 THR C 1.0 -185.0 75.0 PHI 367 367 A 84 THR N A 84 THR CA A 84 THR CB A 84 THR OG1 1.0 -215.0 95.0 CHI1 368 368 A 84 THR N A 84 THR CA A 84 THR CB A 84 THR OG1 1.0 -75.0 205.0 CHI1 369 369 A 84 THR N A 84 THR CA A 84 THR C A 85 VAL N 1.0 -35.0 195.0 PSI 370 370 A 84 THR C A 85 VAL N A 85 VAL CA A 85 VAL C 1.0 -185.0 -45.0 PHI 371 371 A 85 VAL N A 85 VAL CA A 85 VAL CB A 85 VAL CG1 1.0 -315.0 -45.0 CHI1 372 372 A 85 VAL N A 85 VAL CA A 85 VAL CB A 85 VAL CG1 1.0 -175.0 85.0 CHI1 373 373 A 85 VAL N A 85 VAL CA A 85 VAL CB A 85 VAL CG1 1.0 -95.0 195.0 CHI1 374 374 A 85 VAL N A 85 VAL CA A 85 VAL C A 86 TYR N 1.0 -55.0 65.0 PSI 375 375 A 86 TYR N A 86 TYR CA A 86 TYR CB A 86 TYR CG 1.0 25.0 295.0 CHI1 376 376 A 86 TYR N A 86 TYR CA A 86 TYR CB A 86 TYR CG 1.0 -205.0 55.0 CHI1 377 377 A 86 TYR CA A 86 TYR CB A 86 TYR CG A 86 TYR CD1 1.0 25.0 325.0 CHI2 378 378 A 86 TYR CA A 86 TYR CB A 86 TYR CG A 86 TYR CD1 1.0 -155.0 145.0 CHI2 379 379 A 87 THR N A 87 THR CA A 87 THR CB A 87 THR OG1 1.0 -205.0 15.0 CHI1 380 380 A 87 THR N A 87 THR CA A 87 THR CB A 87 THR OG1 1.0 -75.0 195.0 CHI1 381 381 A 88 THR N A 88 THR CA A 88 THR CB A 88 THR OG1 1.0 -25.0 95.0 CHI1 382 382 A 88 THR C A 89 THR N A 89 THR CA A 89 THR C 1.0 -165.0 -45.0 PHI 383 383 A 89 THR N A 89 THR CA A 89 THR CB A 89 THR OG1 1.0 -205.0 35.0 CHI1 384 384 A 89 THR N A 89 THR CA A 89 THR CB A 89 THR OG1 1.0 -65.0 205.0 CHI1 385 385 A 89 THR N A 89 THR CA A 89 THR C A 90 THR N 1.0 -85.0 25.0 PSI 386 386 A 90 THR N A 90 THR CA A 90 THR CB A 90 THR OG1 1.0 -75.0 55.0 CHI1 387 387 A 90 THR N A 90 THR CA A 90 THR C A 91 GLY N 1.0 -85.0 -5.0 PSI 388 388 A 90 THR C A 91 GLY N A 91 GLY CA A 91 GLY C 1.0 -315.0 -45.0 PHI 389 389 A 92 ASP N A 92 ASP CA A 92 ASP CB A 92 ASP CG 1.0 -225.0 115.0 CHI1 390 390 A 92 ASP C A 93 GLY N A 93 GLY CA A 93 GLY C 1.0 -315.0 -45.0 PHI 391 391 A 93 GLY C A 94 GLY N A 94 GLY CA A 94 GLY C 1.0 -315.0 -45.0 PHI 392 392 A 94 GLY N A 94 GLY CA A 94 GLY C A 95 ILE N 1.0 -175.0 175.0 PSI 393 393 A 95 ILE N A 95 ILE CA A 95 ILE CB A 95 ILE CG1 1.0 -195.0 -25.0 CHI1 394 394 A 95 ILE N A 95 ILE CA A 95 ILE CB A 95 ILE CG1 1.0 -75.0 195.0 CHI1 395 395 A 95 ILE CA A 95 ILE CB A 95 ILE CG1 A 95 ILE CD1 1.0 -315.0 -45.0 CHI21 396 396 A 95 ILE CA A 95 ILE CB A 95 ILE CG1 A 95 ILE CD1 1.0 -85.0 195.0 CHI21 397 397 A 96 ASP N A 96 ASP CA A 96 ASP CB A 96 ASP CG 1.0 -145.0 105.0 CHI1 398 398 A 98 ILE N A 98 ILE CA A 98 ILE CB A 98 ILE CG1 1.0 -75.0 -25.0 CHI1 399 399 A 98 ILE CA A 98 ILE CB A 98 ILE CG1 A 98 ILE CD1 1.0 -285.0 -45.0 CHI21 400 400 A 98 ILE CA A 98 ILE CB A 98 ILE CG1 A 98 ILE CD1 1.0 -85.0 195.0 CHI21 401 401 A 99 THR N A 99 THR CA A 99 THR CB A 99 THR OG1 1.0 -205.0 15.0 CHI1 402 402 A 99 THR N A 99 THR CA A 99 THR CB A 99 THR OG1 1.0 -75.0 205.0 CHI1 403 403 A 101 THR C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 45.0 285.0 PHI 404 404 A 101 THR C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -185.0 75.0 PHI 405 405 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 ARG N 1.0 5.0 105.0 PSI 406 406 A 103 ARG N A 103 ARG CA A 103 ARG CB A 103 ARG CG 1.0 35.0 265.0 CHI1 407 407 A 103 ARG N A 103 ARG CA A 103 ARG CB A 103 ARG CG 1.0 -205.0 55.0 CHI1 408 408 A 103 ARG CA A 103 ARG CB A 103 ARG CG A 103 ARG CD 1.0 -315.0 -45.0 CHI2 409 409 A 104 THR N A 104 THR CA A 104 THR CB A 104 THR OG1 1.0 -195.0 5.0 CHI1 410 410 A 104 THR N A 104 THR CA A 104 THR CB A 104 THR OG1 1.0 -45.0 175.0 CHI1 411 411 A 105 ALA C A 106 LYS N A 106 LYS CA A 106 LYS C 1.0 -315.0 -45.0 PHI 412 412 A 105 ALA C A 106 LYS N A 106 LYS CA A 106 LYS C 1.0 -185.0 75.0 PHI 413 413 A 106 LYS N A 106 LYS CA A 106 LYS CB A 106 LYS CG 1.0 -335.0 -25.0 CHI1 414 414 A 106 LYS N A 106 LYS CA A 106 LYS CB A 106 LYS CG 1.0 -205.0 95.0 CHI1 415 415 A 106 LYS CA A 106 LYS CB A 106 LYS CG A 106 LYS CD 1.0 -325.0 -35.0 CHI2 416 416 A 106 LYS N A 106 LYS CA A 106 LYS C A 107 TYR N 1.0 -235.0 -5.0 PSI 417 417 A 106 LYS N A 106 LYS CA A 106 LYS C A 107 TYR N 1.0 -85.0 195.0 PSI 418 418 A 106 LYS C A 107 TYR N A 107 TYR CA A 107 TYR C 1.0 -315.0 -45.0 PHI 419 419 A 106 LYS C A 107 TYR N A 107 TYR CA A 107 TYR C 1.0 -185.0 75.0 PHI 420 420 A 107 TYR N A 107 TYR CA A 107 TYR CB A 107 TYR CG 1.0 -335.0 -25.0 CHI1 421 421 A 107 TYR N A 107 TYR CA A 107 TYR CB A 107 TYR CG 1.0 -185.0 85.0 CHI1 422 422 A 107 TYR CA A 107 TYR CB A 107 TYR CG A 107 TYR CD1 1.0 -335.0 -25.0 CHI2 423 423 A 107 TYR CA A 107 TYR CB A 107 TYR CG A 107 TYR CD1 1.0 -155.0 155.0 CHI2 424 424 A 107 TYR N A 107 TYR CA A 107 TYR C A 108 VAL N 1.0 135.0 195.0 PSI 425 425 A 108 VAL N A 108 VAL CA A 108 VAL CB A 108 VAL CG1 1.0 -185.0 -155.0 CHI1 426 426 A 110 VAL N A 110 VAL CA A 110 VAL CB A 110 VAL CG1 1.0 45.0 205.0 CHI1 427 427 A 110 VAL N A 110 VAL CA A 110 VAL CB A 110 VAL CG1 1.0 -195.0 75.0 CHI1 428 428 A 111 HIS N A 111 HIS CA A 111 HIS CB A 111 HIS CG 1.0 -335.0 -25.0 CHI1 429 429 A 111 HIS N A 111 HIS CA A 111 HIS CB A 111 HIS CG 1.0 -205.0 95.0 CHI1 430 430 A 111 HIS C A 112 GLY N A 112 GLY CA A 112 GLY C 1.0 -315.0 -45.0 PHI 431 431 A 113 THR N A 113 THR CA A 113 THR CB A 113 THR OG1 1.0 -215.0 95.0 CHI1 432 432 A 113 THR N A 113 THR CA A 113 THR CB A 113 THR OG1 1.0 -75.0 205.0 CHI1 433 433 A 113 THR N A 113 THR CA A 113 THR C A 114 VAL N 1.0 -85.0 75.0 PSI 434 434 A 114 VAL N A 114 VAL CA A 114 VAL CB A 114 VAL CG1 1.0 45.0 205.0 CHI1 435 435 A 114 VAL N A 114 VAL CA A 114 VAL CB A 114 VAL CG1 1.0 -195.0 75.0 CHI1 436 436 A 115 ARG N A 115 ARG CA A 115 ARG CB A 115 ARG CG 1.0 -335.0 -25.0 CHI1 437 437 A 115 ARG N A 115 ARG CA A 115 ARG CB A 115 ARG CG 1.0 -205.0 95.0 CHI1 438 438 A 115 ARG CA A 115 ARG CB A 115 ARG CG A 115 ARG CD 1.0 -325.0 -35.0 CHI2 439 439 A 115 ARG C A 116 GLY N A 116 GLY CA A 116 GLY C 1.0 -315.0 -45.0 PHI 440 440 A 116 GLY N A 116 GLY CA A 116 GLY C A 117 THR N 1.0 -115.0 115.0 PSI 441 441 A 116 GLY C A 117 THR N A 117 THR CA A 117 THR C 1.0 -185.0 -45.0 PHI 442 442 A 117 THR N A 117 THR CA A 117 THR CB A 117 THR OG1 1.0 5.0 75.0 CHI1 443 443 A 117 THR N A 117 THR CA A 117 THR C A 118 PRO N 1.0 145.0 165.0 PSI 444 444 A 118 PRO N A 118 PRO CA A 118 PRO C A 119 TYR N 1.0 -285.0 5.0 PSI 445 445 A 118 PRO N A 118 PRO CA A 118 PRO C A 119 TYR N 1.0 -55.0 195.0 PSI 446 446 A 119 TYR C A 120 GLY N A 120 GLY CA A 120 GLY C 1.0 -315.0 -45.0 PHI 447 447 A 120 GLY N A 120 GLY CA A 120 GLY C A 121 TYR N 1.0 -265.0 15.0 PSI 448 448 A 120 GLY N A 120 GLY CA A 120 GLY C A 121 TYR N 1.0 -15.0 265.0 PSI 449 449 A 121 TYR N A 121 TYR CA A 121 TYR CB A 121 TYR CG 1.0 -325.0 -25.0 CHI1 450 450 A 121 TYR N A 121 TYR CA A 121 TYR CB A 121 TYR CG 1.0 -175.0 55.0 CHI1 451 451 A 121 TYR N A 121 TYR CA A 121 TYR CB A 121 TYR CG 1.0 -75.0 265.0 CHI1 452 452 A 121 TYR CA A 121 TYR CB A 121 TYR CG A 121 TYR CD1 1.0 -325.0 -25.0 CHI2 453 453 A 121 TYR CA A 121 TYR CB A 121 TYR CG A 121 TYR CD1 1.0 -145.0 155.0 CHI2 454 454 A 122 SER C A 123 LEU N A 123 LEU CA A 123 LEU C 1.0 -185.0 -45.0 PHI 455 455 A 123 LEU N A 123 LEU CA A 123 LEU CB A 123 LEU CG 1.0 15.0 335.0 CHI1 456 456 A 123 LEU N A 123 LEU CA A 123 LEU CB A 123 LEU CG 1.0 -205.0 95.0 CHI1 457 457 A 123 LEU CA A 123 LEU CB A 123 LEU CG A 123 LEU CD1 1.0 -325.0 -35.0 CHI2 458 458 A 123 LEU CA A 123 LEU CB A 123 LEU CG A 123 LEU CD1 1.0 -95.0 205.0 CHI2 459 459 A 123 LEU N A 123 LEU CA A 123 LEU C A 124 TRP N 1.0 -245.0 5.0 PSI 460 460 A 123 LEU N A 123 LEU CA A 123 LEU C A 124 TRP N 1.0 -35.0 205.0 PSI 461 461 A 124 TRP N A 124 TRP CA A 124 TRP CB A 124 TRP CG 1.0 -145.0 -75.0 CHI1 462 462 A 124 TRP N A 124 TRP CA A 124 TRP CB A 124 TRP CG 1.0 -105.0 235.0 CHI1 463 463 A 124 TRP CA A 124 TRP CB A 124 TRP CG A 124 TRP CD1 1.0 5.0 345.0 CHI2 464 464 A 124 TRP CA A 124 TRP CB A 124 TRP CG A 124 TRP CD1 1.0 -135.0 135.0 CHI2 465 465 A 125 GLU N A 125 GLU CA A 125 GLU CB A 125 GLU CG 1.0 -155.0 -25.0 CHI1 466 466 A 125 GLU N A 125 GLU CA A 125 GLU CB A 125 GLU CG 1.0 -35.0 275.0 CHI1 467 467 A 125 GLU CA A 125 GLU CB A 125 GLU CG A 125 GLU CD 1.0 -325.0 -35.0 CHI2 468 468 A 127 GLU N A 127 GLU CA A 127 GLU CB A 127 GLU CG 1.0 -325.0 -25.0 CHI1 469 469 A 127 GLU N A 127 GLU CA A 127 GLU CB A 127 GLU CG 1.0 -185.0 55.0 CHI1 470 470 A 127 GLU N A 127 GLU CA A 127 GLU CB A 127 GLU CG 1.0 -75.0 255.0 CHI1 471 471 A 127 GLU CA A 127 GLU CB A 127 GLU CG A 127 GLU CD 1.0 -325.0 -25.0 CHI2 472 472 A 128 VAL N A 128 VAL CA A 128 VAL CB A 128 VAL CG1 1.0 45.0 205.0 CHI1 473 473 A 128 VAL N A 128 VAL CA A 128 VAL CB A 128 VAL CG1 1.0 -195.0 85.0 CHI1 474 474 A 129 TYR N A 129 TYR CA A 129 TYR CB A 129 TYR CG 1.0 -335.0 -25.0 CHI1 475 475 A 129 TYR N A 129 TYR CA A 129 TYR CB A 129 TYR CG 1.0 -85.0 65.0 CHI1 476 476 A 129 TYR CA A 129 TYR CB A 129 TYR CG A 129 TYR CD1 1.0 -315.0 -25.0 CHI2 477 477 A 129 TYR CA A 129 TYR CB A 129 TYR CG A 129 TYR CD1 1.0 -135.0 155.0 CHI2 478 478 A 129 TYR C A 130 GLY N A 130 GLY CA A 130 GLY C 1.0 -315.0 -45.0 PHI stop_ save_