data_nef_c18716_2lyb 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 18715 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 2 GLY start . false 2 A 3 ALA middle . . 3 A 4 ARG middle . . 4 A 5 ALA middle . . 5 A 6 SER middle . . 6 A 7 VAL middle . . 7 A 8 LEU middle . . 8 A 9 SER middle . . 9 A 10 GLY middle . false 10 A 11 GLY middle . false 11 A 12 GLU middle . . 12 A 13 LEU middle . . 13 A 14 ASP middle . . 14 A 15 LYS middle . . 15 A 16 TRP middle . . 16 A 17 GLU middle . . 17 A 18 LYS middle . . 18 A 19 ILE middle . . 19 A 20 ARG middle . . 20 A 21 LEU middle . . 21 A 22 ARG middle . . 22 A 23 PRO middle . false 23 A 24 GLY middle . false 24 A 25 GLY middle . false 25 A 26 LYS middle . . 26 A 27 LYS middle . . 27 A 28 GLN middle . . 28 A 29 TYR middle . . 29 A 30 LYS middle . . 30 A 31 LEU middle . . 31 A 32 LYS middle . . 32 A 33 HIS middle . . 33 A 34 ILE middle . . 34 A 35 VAL middle . . 35 A 36 TRP middle . . 36 A 37 ALA middle . . 37 A 38 SER middle . . 38 A 39 ARG middle . . 39 A 40 GLU middle . . 40 A 41 LEU middle . . 41 A 42 GLU middle . . 42 A 43 ARG middle . . 43 A 44 PHE middle . . 44 A 45 ALA middle . . 45 A 46 VAL middle . . 46 A 47 ASN middle . . 47 A 48 PRO middle . false 48 A 49 GLY middle . false 49 A 50 LEU middle . . 50 A 51 LEU middle . . 51 A 52 GLU middle . . 52 A 53 THR middle . . 53 A 54 SER middle . . 54 A 55 GLU middle . . 55 A 56 GLY middle . false 56 A 57 CYS middle . . 57 A 58 ARG middle . . 58 A 59 GLN middle . . 59 A 60 ILE middle . . 60 A 61 LEU middle . . 61 A 62 GLY middle . false 62 A 63 GLN middle . . 63 A 64 LEU middle . . 64 A 65 GLN middle . . 65 A 66 PRO middle . false 66 A 67 SER middle . . 67 A 68 LEU middle . . 68 A 69 GLN middle . . 69 A 70 THR middle . . 70 A 71 GLY middle . false 71 A 72 SER middle . . 72 A 73 GLU middle . . 73 A 74 GLU middle . . 74 A 75 LEU middle . . 75 A 76 ARG middle . . 76 A 77 SER middle . . 77 A 78 LEU middle . . 78 A 79 TYR middle . . 79 A 80 ASN middle . . 80 A 81 THR middle . . 81 A 82 ILE middle . . 82 A 83 ALA middle . . 83 A 84 VAL middle . . 84 A 85 LEU middle . . 85 A 86 TYR middle . . 86 A 87 CYS middle . . 87 A 88 VAL middle . . 88 A 89 HIS middle . . 89 A 90 GLN middle . . 90 A 91 ARG middle . . 91 A 92 ILE middle . . 92 A 93 ASP middle . . 93 A 94 VAL middle . . 94 A 95 LYS middle . . 95 A 96 ASP middle . . 96 A 97 THR middle . . 97 A 98 LYS middle . . 98 A 99 GLU middle . . 99 A 100 ALA middle . . 100 A 101 LEU middle . . 101 A 102 ASP middle . . 102 A 103 LYS middle . . 103 A 104 ILE middle . . 104 A 105 GLU middle . . 105 A 106 GLU middle . . 106 A 107 GLU middle . . 107 A 108 GLN middle . . 108 A 109 ASN middle . . 109 A 110 LYS middle . . 110 A 111 SER middle . . 111 A 112 LYS middle . . 112 A 113 LYS middle . . 113 A 114 LYS middle . . 114 A 115 ALA middle . . 115 A 116 GLN middle . . 116 A 117 GLN middle . . 117 A 118 ALA middle . . 118 A 119 ALA middle . . 119 A 120 ALA middle . . 120 A 121 ASP middle . . 121 A 122 THR middle . . 122 A 123 GLY middle . false 123 A 124 ASN middle . . 124 A 125 ASN middle . . 125 A 126 SER middle . . 126 A 127 GLN middle . . 127 A 128 VAL middle . . 128 A 129 SER middle . . 129 A 130 GLN middle . . 130 A 131 ASN middle . . 131 A 132 TYR middle . . 132 A 133 HIS middle . . 133 A 134 HIS middle . . 134 A 135 HIS middle . . 135 A 136 HIS middle . . 136 A 137 HIS middle . . 137 A 138 HIS end . . 138 B 1 8SP . . . 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 2 GLY HA2 H 1 3.973 0.000 A 2 GLY HA3 H 1 3.973 0.000 A 2 GLY CA C 13 47.792 0.000 A 2 GLY N N 15 110.842 0.000 A 3 ALA H H 1 8.183 0.000 A 3 ALA HA H 1 4.328 0.000 A 3 ALA HB% H 1 1.538 0.000 A 3 ALA CA C 13 52.537 0.000 A 3 ALA CB C 13 17.251 0.000 A 3 ALA N N 15 123.842 0.000 A 4 ARG H H 1 8.429 0.000 A 4 ARG HA H 1 4.256 0.000 A 4 ARG HB2 H 1 1.788 0.000 A 4 ARG HB3 H 1 1.788 0.000 A 4 ARG HD2 H 1 3.187 0.000 A 4 ARG HD3 H 1 3.187 0.000 A 4 ARG HG2 H 1 1.664 0.000 A 4 ARG HG3 H 1 1.664 0.000 A 4 ARG CA C 13 55.965 0.000 A 4 ARG CB C 13 30.961 0.000 A 4 ARG CD C 13 43.427 0.000 A 4 ARG CG C 13 27.313 0.000 A 4 ARG N N 15 120.165 0.000 A 5 ALA H H 1 8.370 0.000 A 5 ALA HA H 1 4.282 0.000 A 5 ALA HB% H 1 1.328 0.000 A 5 ALA CA C 13 52.371 0.000 A 5 ALA CB C 13 19.672 0.000 A 5 ALA N N 15 125.165 0.000 A 6 SER H H 1 8.134 0.000 A 6 SER HA H 1 4.479 0.000 A 6 SER HB2 H 1 3.790 0.000 A 6 SER HB3 H 1 3.790 0.000 A 6 SER CA C 13 57.804 0.000 A 6 SER CB C 13 64.034 0.000 A 6 SER N N 15 114.540 0.000 A 7 VAL H H 1 8.119 0.000 A 7 VAL HA H 1 3.617 0.000 A 7 VAL HB H 1 1.828 0.000 A 7 VAL HG1% H 1 0.819 0.000 A 7 VAL HG2% H 1 0.751 0.000 A 7 VAL CA C 13 65.711 0.014 A 7 VAL CB C 13 31.936 0.001 A 7 VAL CG1 C 13 22.353 0.000 A 7 VAL CG2 C 13 22.458 0.000 A 7 VAL N N 15 121.415 0.000 A 8 LEU H H 1 7.382 0.000 A 8 LEU HA H 1 4.914 0.000 A 8 LEU HB2 H 1 1.460 0.000 A 8 LEU HB3 H 1 1.460 0.000 A 8 LEU HD1% H 1 0.201 0.007 A 8 LEU HD2% H 1 0.318 0.003 A 8 LEU HG H 1 1.063 0.000 A 8 LEU CA C 13 52.475 0.009 A 8 LEU CB C 13 44.314 0.006 A 8 LEU CD1 C 13 26.286 0.032 A 8 LEU CD2 C 13 23.058 0.057 A 8 LEU CG C 13 26.109 0.000 A 8 LEU N N 15 115.478 0.000 A 9 SER H H 1 9.166 0.000 A 9 SER HA H 1 4.606 0.000 A 9 SER HB2 H 1 3.980 0.000 A 9 SER HB3 H 1 3.980 0.000 A 9 SER CA C 13 57.197 0.000 A 9 SER CB C 13 65.426 0.000 A 9 SER N N 15 118.290 0.000 A 10 GLY H H 1 8.959 0.000 A 10 GLY HA2 H 1 3.861 0.000 A 10 GLY HA3 H 1 3.997 0.000 A 10 GLY CA C 13 47.674 0.000 A 10 GLY N N 15 109.228 0.000 A 11 GLY H H 1 8.782 0.000 A 11 GLY HA2 H 1 3.933 0.000 A 11 GLY HA3 H 1 4.009 0.000 A 11 GLY CA C 13 46.661 0.000 A 11 GLY N N 15 111.102 0.000 A 12 GLU H H 1 7.751 0.000 A 12 GLU HA H 1 3.950 0.000 A 12 GLU HB2 H 1 2.276 0.000 A 12 GLU HB3 H 1 1.786 0.000 A 12 GLU HG2 H 1 2.129 0.000 A 12 GLU HG3 H 1 2.582 0.000 A 12 GLU CA C 13 59.096 0.000 A 12 GLU CB C 13 31.290 0.000 A 12 GLU CG C 13 37.323 0.000 A 12 GLU N N 15 120.165 0.000 A 13 LEU H H 1 8.340 0.000 A 13 LEU HA H 1 4.108 0.000 A 13 LEU HB2 H 1 1.390 0.000 A 13 LEU HB3 H 1 1.390 0.000 A 13 LEU HD1% H 1 0.960 0.000 A 13 LEU HD2% H 1 0.947 0.000 A 13 LEU HG H 1 1.702 0.000 A 13 LEU CA C 13 58.062 0.000 A 13 LEU CB C 13 40.936 0.000 A 13 LEU CD1 C 13 25.304 0.000 A 13 LEU CD2 C 13 24.110 0.000 A 13 LEU CG C 13 27.221 0.000 A 13 LEU N N 15 121.415 0.000 A 14 ASP H H 1 7.574 0.000 A 14 ASP HA H 1 4.393 0.000 A 14 ASP HB2 H 1 2.713 0.000 A 14 ASP HB3 H 1 2.713 0.000 A 14 ASP CA C 13 57.136 0.000 A 14 ASP CB C 13 41.086 0.000 A 14 ASP N N 15 116.415 0.000 A 15 LYS H H 1 7.117 0.000 A 15 LYS HA H 1 4.046 0.000 A 15 LYS HB2 H 1 2.128 0.000 A 15 LYS HB3 H 1 1.887 0.000 A 15 LYS HD2 H 1 1.672 0.000 A 15 LYS HD3 H 1 1.672 0.000 A 15 LYS HE2 H 1 2.960 0.000 A 15 LYS HE3 H 1 2.960 0.000 A 15 LYS HG2 H 1 1.610 0.000 A 15 LYS HG3 H 1 1.610 0.000 A 15 LYS CA C 13 58.402 0.000 A 15 LYS CB C 13 32.359 0.000 A 15 LYS CD C 13 28.946 0.000 A 15 LYS CE C 13 42.375 0.000 A 15 LYS CG C 13 24.625 0.000 A 15 LYS N N 15 115.478 0.000 A 16 TRP H H 1 8.646 0.000 A 16 TRP HA H 1 4.025 0.000 A 16 TRP HB2 H 1 3.181 0.000 A 16 TRP HB3 H 1 3.550 0.000 A 16 TRP HD1 H 1 6.514 0.000 A 16 TRP HE1 H 1 9.326 0.000 A 16 TRP HE3 H 1 7.129 0.000 A 16 TRP HZ2 H 1 7.103 0.000 A 16 TRP HZ3 H 1 6.452 0.000 A 16 TRP CA C 13 60.286 0.000 A 16 TRP CB C 13 31.113 0.000 A 16 TRP CD1 C 13 124.043 0.000 A 16 TRP CE3 C 13 119.504 0.000 A 16 TRP CZ2 C 13 113.953 0.000 A 16 TRP CZ3 C 13 122.324 0.000 A 16 TRP N N 15 121.693 0.000 A 16 TRP NE1 N 15 126.482 0.000 A 17 GLU H H 1 7.571 0.000 A 17 GLU HA H 1 4.691 0.000 A 17 GLU HB2 H 1 2.235 0.000 A 17 GLU HB3 H 1 2.103 0.000 A 17 GLU HG2 H 1 2.886 0.000 A 17 GLU HG3 H 1 2.487 0.000 A 17 GLU CA C 13 56.769 0.000 A 17 GLU CB C 13 29.745 0.000 A 17 GLU CG C 13 38.387 0.000 A 17 GLU N N 15 127.710 0.000 A 18 LYS H H 1 7.456 0.000 A 18 LYS HA H 1 4.497 0.000 A 18 LYS HB2 H 1 2.005 0.000 A 18 LYS HB3 H 1 1.781 0.000 A 18 LYS HD2 H 1 1.666 0.000 A 18 LYS HD3 H 1 1.666 0.000 A 18 LYS HE2 H 1 3.056 0.000 A 18 LYS HE3 H 1 3.056 0.000 A 18 LYS HG2 H 1 1.589 0.000 A 18 LYS HG3 H 1 1.589 0.000 A 18 LYS CA C 13 55.569 0.000 A 18 LYS CB C 13 33.939 0.000 A 18 LYS CD C 13 29.060 0.000 A 18 LYS CE C 13 42.389 0.000 A 18 LYS CG C 13 25.407 0.000 A 18 LYS N N 15 115.790 0.000 A 19 ILE H H 1 7.633 0.000 A 19 ILE HA H 1 3.557 0.000 A 19 ILE HB H 1 1.592 0.000 A 19 ILE HD1% H 1 0.486 0.005 A 19 ILE HG12 H 1 1.961 0.000 A 19 ILE HG13 H 1 0.851 0.000 A 19 ILE HG2% H 1 0.565 0.041 A 19 ILE CA C 13 63.120 0.013 A 19 ILE CB C 13 38.182 0.006 A 19 ILE CD1 C 13 14.968 0.008 A 19 ILE CG1 C 13 27.919 0.191 A 19 ILE CG2 C 13 16.704 0.035 A 19 ILE N N 15 124.228 0.000 A 20 ARG H H 1 8.031 0.000 A 20 ARG HA H 1 4.428 0.000 A 20 ARG HB2 H 1 1.832 0.000 A 20 ARG HB3 H 1 1.671 0.000 A 20 ARG HD2 H 1 3.311 0.000 A 20 ARG HD3 H 1 3.311 0.000 A 20 ARG HG2 H 1 1.773 0.000 A 20 ARG HG3 H 1 1.683 0.000 A 20 ARG CA C 13 56.495 0.000 A 20 ARG CB C 13 31.537 0.000 A 20 ARG CD C 13 43.501 0.000 A 20 ARG CG C 13 28.781 0.000 A 20 ARG N N 15 125.790 0.000 A 21 LEU H H 1 7.810 0.000 A 21 LEU HA H 1 3.431 0.000 A 21 LEU HB2 H 1 1.413 0.000 A 21 LEU HB3 H 1 1.228 0.002 A 21 LEU HD1% H 1 0.237 0.004 A 21 LEU HD2% H 1 -0.362 0.000 A 21 LEU HG H 1 0.731 0.000 A 21 LEU CA C 13 58.235 0.004 A 21 LEU CB C 13 41.554 0.060 A 21 LEU CD1 C 13 24.854 0.014 A 21 LEU CD2 C 13 21.744 0.000 A 21 LEU CG C 13 28.175 0.000 A 21 LEU N N 15 120.165 0.000 A 22 ARG H H 1 8.974 0.000 A 22 ARG HA H 1 4.845 0.000 A 22 ARG HB2 H 1 1.843 0.000 A 22 ARG HB3 H 1 1.627 0.000 A 22 ARG HD2 H 1 3.185 0.000 A 22 ARG HD3 H 1 3.185 0.000 A 22 ARG HG2 H 1 1.540 0.000 A 22 ARG HG3 H 1 1.540 0.000 A 22 ARG CA C 13 52.844 0.000 A 22 ARG CB C 13 31.617 0.000 A 22 ARG CD C 13 43.440 0.000 A 22 ARG CG C 13 26.607 0.000 A 22 ARG N N 15 119.540 0.000 A 23 PRO HA H 1 4.360 0.000 A 23 PRO HB2 H 1 1.904 0.000 A 23 PRO HB3 H 1 2.249 0.000 A 23 PRO HD2 H 1 3.602 0.000 A 23 PRO HD3 H 1 3.602 0.000 A 23 PRO HG2 H 1 2.099 0.000 A 23 PRO HG3 H 1 2.099 0.000 A 23 PRO CA C 13 63.436 0.000 A 23 PRO CB C 13 31.565 0.000 A 23 PRO CD C 13 50.485 0.000 A 23 PRO CG C 13 28.122 0.000 A 24 GLY H H 1 9.138 0.000 A 24 GLY HA2 H 1 3.922 0.000 A 24 GLY HA3 H 1 3.804 0.000 A 24 GLY CA C 13 45.805 0.000 A 24 GLY N N 15 112.665 0.000 A 25 GLY H H 1 8.134 0.000 A 25 GLY HA2 H 1 4.132 0.000 A 25 GLY HA3 H 1 4.133 0.000 A 25 GLY CA C 13 44.572 0.000 A 25 GLY N N 15 107.978 0.000 A 26 LYS H H 1 8.665 0.000 A 26 LYS HA H 1 4.264 0.000 A 26 LYS HB2 H 1 1.787 0.000 A 26 LYS HB3 H 1 1.787 0.000 A 26 LYS HG2 H 1 1.450 0.000 A 26 LYS HG3 H 1 1.450 0.000 A 26 LYS CA C 13 56.853 0.000 A 26 LYS CB C 13 34.056 0.000 A 26 LYS CG C 13 25.363 0.000 A 26 LYS N N 15 117.665 0.000 A 27 LYS H H 1 7.817 0.000 A 27 LYS HA H 1 4.311 0.000 A 27 LYS HB2 H 1 1.801 0.000 A 27 LYS HB3 H 1 1.801 0.000 A 27 LYS HD2 H 1 1.813 0.000 A 27 LYS HD3 H 1 1.813 0.000 A 27 LYS HG2 H 1 1.632 0.000 A 27 LYS HG3 H 1 1.632 0.000 A 27 LYS CA C 13 57.211 0.000 A 27 LYS CB C 13 33.878 0.000 A 27 LYS CD C 13 30.790 0.000 A 27 LYS CG C 13 25.868 0.000 A 27 LYS N N 15 117.925 0.000 A 28 GLN H H 1 8.458 0.000 A 28 GLN HA H 1 4.816 0.000 A 28 GLN HB2 H 1 2.078 0.000 A 28 GLN HB3 H 1 1.918 0.000 A 28 GLN HG2 H 1 2.014 0.000 A 28 GLN HG3 H 1 2.014 0.000 A 28 GLN CA C 13 54.473 0.000 A 28 GLN CB C 13 34.054 0.000 A 28 GLN CG C 13 34.807 0.000 A 28 GLN N N 15 122.978 0.000 A 29 TYR H H 1 7.824 0.000 A 29 TYR HA H 1 3.732 0.000 A 29 TYR HB2 H 1 1.936 0.000 A 29 TYR HB3 H 1 1.556 0.000 A 29 TYR HD1 H 1 6.387 0.000 A 29 TYR HD2 H 1 6.387 0.000 A 29 TYR HE1 H 1 6.362 0.000 A 29 TYR HE2 H 1 6.362 0.000 A 29 TYR CA C 13 61.010 0.000 A 29 TYR CB C 13 37.216 0.000 A 29 TYR CD1 C 13 136.604 0.000 A 29 TYR CD2 C 13 136.604 0.000 A 29 TYR CE1 C 13 116.565 0.000 A 29 TYR CE2 C 13 116.565 0.000 A 29 TYR N N 15 119.540 0.000 A 30 LYS H H 1 10.610 0.000 A 30 LYS HA H 1 5.216 0.000 A 30 LYS HB2 H 1 1.929 0.000 A 30 LYS HB3 H 1 2.380 0.000 A 30 LYS HD2 H 1 1.778 0.000 A 30 LYS HD3 H 1 1.778 0.000 A 30 LYS HG2 H 1 1.666 0.000 A 30 LYS HG3 H 1 1.666 0.000 A 30 LYS CA C 13 54.065 0.000 A 30 LYS CB C 13 38.588 0.000 A 30 LYS CD C 13 29.100 0.000 A 30 LYS CG C 13 24.645 0.000 A 30 LYS N N 15 117.978 0.000 A 31 LEU H H 1 9.991 0.000 A 31 LEU HA H 1 4.181 0.000 A 31 LEU HB2 H 1 1.806 0.000 A 31 LEU HB3 H 1 1.782 0.000 A 31 LEU HD1% H 1 0.974 0.000 A 31 LEU HD2% H 1 0.959 0.000 A 31 LEU HG H 1 1.760 0.000 A 31 LEU CA C 13 59.234 0.000 A 31 LEU CB C 13 41.002 0.000 A 31 LEU CD1 C 13 24.126 0.000 A 31 LEU CD2 C 13 24.040 0.000 A 31 LEU CG C 13 27.208 0.000 A 31 LEU N N 15 128.602 0.000 A 32 LYS H H 1 8.399 0.000 A 32 LYS HA H 1 4.145 0.000 A 32 LYS HB2 H 1 1.786 0.000 A 32 LYS HB3 H 1 1.878 0.000 A 32 LYS HD2 H 1 1.461 0.000 A 32 LYS HD3 H 1 1.461 0.000 A 32 LYS HE2 H 1 3.030 0.000 A 32 LYS HE3 H 1 3.030 0.000 A 32 LYS HG2 H 1 1.634 0.000 A 32 LYS HG3 H 1 1.634 0.000 A 32 LYS CA C 13 59.097 0.000 A 32 LYS CB C 13 31.559 0.000 A 32 LYS CD C 13 29.601 0.000 A 32 LYS CE C 13 42.318 0.000 A 32 LYS CG C 13 24.535 0.000 A 32 LYS N N 15 115.165 0.000 A 33 HIS H H 1 8.193 0.000 A 33 HIS HA H 1 4.604 0.000 A 33 HIS HB2 H 1 3.893 0.000 A 33 HIS HB3 H 1 3.898 0.000 A 33 HIS HD2 H 1 7.182 0.000 A 33 HIS HE1 H 1 7.677 0.000 A 33 HIS CA C 13 62.891 0.000 A 33 HIS CB C 13 32.784 0.000 A 33 HIS CD2 C 13 117.159 0.000 A 33 HIS CE1 C 13 137.639 0.000 A 33 HIS N N 15 119.540 0.000 A 34 ILE H H 1 7.898 0.000 A 34 ILE HA H 1 3.794 0.000 A 34 ILE HB H 1 2.176 0.000 A 34 ILE HD1% H 1 -0.140 0.000 A 34 ILE HG12 H 1 1.379 0.004 A 34 ILE HG13 H 1 0.677 0.000 A 34 ILE HG2% H 1 0.721 0.042 A 34 ILE CA C 13 63.848 0.011 A 34 ILE CB C 13 36.979 0.026 A 34 ILE CD1 C 13 11.712 0.000 A 34 ILE CG1 C 13 28.931 0.000 A 34 ILE CG2 C 13 17.573 0.014 A 34 ILE N N 15 119.540 0.000 A 35 VAL H H 1 7.706 0.000 A 35 VAL HA H 1 3.612 0.000 A 35 VAL HB H 1 2.144 0.000 A 35 VAL HG1% H 1 1.062 0.000 A 35 VAL HG2% H 1 1.026 0.000 A 35 VAL CA C 13 66.746 0.000 A 35 VAL CB C 13 32.142 0.000 A 35 VAL CG1 C 13 21.658 0.000 A 35 VAL CG2 C 13 22.130 0.000 A 35 VAL N N 15 122.040 0.000 A 36 TRP H H 1 8.452 0.000 A 36 TRP HA H 1 4.233 0.000 A 36 TRP HB2 H 1 3.495 0.000 A 36 TRP HB3 H 1 3.495 0.000 A 36 TRP HD1 H 1 7.427 0.000 A 36 TRP HE1 H 1 10.286 0.000 A 36 TRP HE3 H 1 6.922 0.000 A 36 TRP HH2 H 1 7.382 0.000 A 36 TRP HZ2 H 1 7.439 0.000 A 36 TRP CA C 13 62.110 0.000 A 36 TRP CB C 13 28.412 0.000 A 36 TRP CD1 C 13 127.807 0.000 A 36 TRP CH2 C 13 124.053 0.000 A 36 TRP CZ2 C 13 114.684 0.000 A 36 TRP CZ3 C 13 119.764 0.000 A 36 TRP N N 15 119.986 0.000 A 36 TRP NE1 N 15 131.102 0.000 A 37 ALA H H 1 8.311 0.000 A 37 ALA HA H 1 3.392 0.014 A 37 ALA HB% H 1 1.539 0.031 A 37 ALA CA C 13 55.137 0.000 A 37 ALA CB C 13 17.430 0.006 A 37 ALA N N 15 120.478 0.000 A 38 SER H H 1 8.259 0.000 A 38 SER HA H 1 3.906 0.000 A 38 SER HB2 H 1 3.909 0.000 A 38 SER HB3 H 1 3.909 0.000 A 38 SER CA C 13 62.801 0.000 A 38 SER CB C 13 62.829 0.000 A 38 SER N N 15 111.415 0.000 A 39 ARG H H 1 7.559 0.000 A 39 ARG HA H 1 4.146 0.000 A 39 ARG HB2 H 1 1.882 0.000 A 39 ARG HB3 H 1 1.882 0.000 A 39 ARG HD2 H 1 3.207 0.021 A 39 ARG HD3 H 1 3.196 0.000 A 39 ARG HG2 H 1 1.761 0.000 A 39 ARG HG3 H 1 1.761 0.000 A 39 ARG CA C 13 58.410 0.000 A 39 ARG CB C 13 30.008 0.000 A 39 ARG CD C 13 43.237 0.009 A 39 ARG CG C 13 27.216 0.000 A 39 ARG N N 15 119.852 0.000 A 40 GLU H H 1 8.222 0.000 A 40 GLU HA H 1 3.787 0.000 A 40 GLU HB2 H 1 1.567 0.000 A 40 GLU HB3 H 1 1.567 0.000 A 40 GLU CA C 13 58.281 0.000 A 40 GLU CB C 13 29.674 0.000 A 40 GLU CG C 13 34.363 0.000 A 40 GLU N N 15 121.102 0.000 A 41 LEU H H 1 8.016 0.000 A 41 LEU HA H 1 3.960 0.009 A 41 LEU HB2 H 1 1.893 0.000 A 41 LEU HB3 H 1 1.430 0.000 A 41 LEU HD1% H 1 0.856 0.009 A 41 LEU HD2% H 1 0.785 0.005 A 41 LEU HG H 1 1.987 0.015 A 41 LEU CA C 13 58.297 0.023 A 41 LEU CB C 13 40.180 0.026 A 41 LEU CD1 C 13 26.712 0.073 A 41 LEU CD2 C 13 22.760 0.041 A 41 LEU CG C 13 26.867 0.016 A 41 LEU N N 15 117.040 0.000 A 42 GLU H H 1 7.559 0.000 A 42 GLU HA H 1 4.127 0.000 A 42 GLU HB2 H 1 2.130 0.000 A 42 GLU HB3 H 1 1.673 0.000 A 42 GLU HG2 H 1 2.543 0.000 A 42 GLU HG3 H 1 2.173 0.000 A 42 GLU CA C 13 59.571 0.000 A 42 GLU CB C 13 29.665 0.000 A 42 GLU CG C 13 36.819 0.000 A 42 GLU N N 15 117.352 0.000 A 43 ARG H H 1 7.647 0.000 A 43 ARG HA H 1 4.027 0.000 A 43 ARG HB2 H 1 1.662 0.000 A 43 ARG HB3 H 1 2.124 0.000 A 43 ARG HD2 H 1 3.040 0.000 A 43 ARG HD3 H 1 3.040 0.000 A 43 ARG HG2 H 1 1.441 0.000 A 43 ARG HG3 H 1 1.669 0.000 A 43 ARG CA C 13 58.601 0.000 A 43 ARG CB C 13 29.665 0.000 A 43 ARG CD C 13 43.634 0.000 A 43 ARG CG C 13 27.281 0.000 A 43 ARG N N 15 119.540 0.000 A 44 PHE H H 1 7.529 0.000 A 44 PHE HA H 1 4.616 0.007 A 44 PHE HB2 H 1 3.476 0.014 A 44 PHE HB3 H 1 2.755 0.019 A 44 PHE HD1 H 1 7.234 0.007 A 44 PHE HD2 H 1 7.234 0.007 A 44 PHE HE1 H 1 7.035 0.000 A 44 PHE HE2 H 1 7.035 0.000 A 44 PHE CA C 13 57.425 0.057 A 44 PHE CB C 13 39.154 0.046 A 44 PHE CD1 C 13 131.232 0.026 A 44 PHE CD2 C 13 131.232 0.026 A 44 PHE CE1 C 13 133.391 0.000 A 44 PHE CE2 C 13 133.391 0.000 A 44 PHE N N 15 117.665 0.000 A 45 ALA H H 1 7.928 0.000 A 45 ALA HA H 1 4.015 0.000 A 45 ALA HB% H 1 1.466 0.041 A 45 ALA CA C 13 53.414 0.000 A 45 ALA CB C 13 16.281 0.005 A 45 ALA N N 15 118.915 0.000 A 46 VAL H H 1 7.765 0.000 A 46 VAL HA H 1 4.095 0.000 A 46 VAL HB H 1 1.822 0.000 A 46 VAL HG1% H 1 0.809 0.000 A 46 VAL HG2% H 1 0.894 0.008 A 46 VAL CA C 13 60.789 0.000 A 46 VAL CB C 13 33.420 0.000 A 46 VAL CG1 C 13 21.579 0.000 A 46 VAL CG2 C 13 21.600 0.039 A 46 VAL N N 15 119.540 0.000 A 47 ASN H H 1 8.399 0.000 A 47 ASN HA H 1 4.646 0.000 A 47 ASN HB2 H 1 2.878 0.000 A 47 ASN HB3 H 1 2.878 0.000 A 47 ASN CA C 13 50.997 0.000 A 47 ASN CB C 13 39.086 0.000 A 47 ASN N N 15 125.790 0.000 A 48 PRO HA H 1 4.222 0.000 A 48 PRO HB2 H 1 2.361 0.000 A 48 PRO HB3 H 1 2.025 0.000 A 48 PRO HD2 H 1 3.887 0.000 A 48 PRO HD3 H 1 4.253 0.000 A 48 PRO HG2 H 1 2.010 0.000 A 48 PRO HG3 H 1 1.786 0.000 A 48 PRO CA C 13 64.314 0.000 A 48 PRO CB C 13 31.740 0.000 A 48 PRO CD C 13 50.938 0.000 A 48 PRO CG C 13 27.814 0.000 A 49 GLY H H 1 8.620 0.000 A 49 GLY HA2 H 1 3.816 0.000 A 49 GLY HA3 H 1 3.770 0.000 A 49 GLY CA C 13 46.530 0.000 A 49 GLY N N 15 108.290 0.000 A 50 LEU H H 1 7.765 0.000 A 50 LEU HA H 1 4.137 0.000 A 50 LEU HB2 H 1 1.722 0.000 A 50 LEU HB3 H 1 1.477 0.000 A 50 LEU HD1% H 1 0.950 0.000 A 50 LEU HD2% H 1 0.911 0.000 A 50 LEU HG H 1 1.753 0.000 A 50 LEU CA C 13 57.299 0.000 A 50 LEU CB C 13 41.563 0.000 A 50 LEU CD1 C 13 25.758 0.000 A 50 LEU CD2 C 13 22.435 0.000 A 50 LEU CG C 13 27.825 0.000 A 50 LEU N N 15 121.728 0.000 A 51 LEU H H 1 7.412 0.000 A 51 LEU HA H 1 4.226 0.000 A 51 LEU HB2 H 1 1.385 0.000 A 51 LEU HB3 H 1 1.784 0.000 A 51 LEU HD1% H 1 0.835 0.000 A 51 LEU HD2% H 1 0.807 0.000 A 51 LEU HG H 1 1.625 0.000 A 51 LEU CA C 13 56.507 0.000 A 51 LEU CB C 13 42.490 0.000 A 51 LEU CD1 C 13 23.088 0.000 A 51 LEU CD2 C 13 25.800 0.000 A 51 LEU CG C 13 27.081 0.000 A 51 LEU N N 15 112.040 0.000 A 52 GLU H H 1 7.500 0.000 A 52 GLU HA H 1 4.055 0.000 A 52 GLU HB2 H 1 2.133 0.000 A 52 GLU HB3 H 1 2.176 0.000 A 52 GLU HG2 H 1 2.272 0.000 A 52 GLU HG3 H 1 2.315 0.000 A 52 GLU CA C 13 58.384 0.000 A 52 GLU CB C 13 31.058 0.000 A 52 GLU CG C 13 37.142 0.000 A 52 GLU N N 15 114.540 0.000 A 53 THR H H 1 7.235 0.000 A 53 THR HA H 1 4.402 0.000 A 53 THR HB H 1 4.544 0.000 A 53 THR HG2% H 1 1.086 0.000 A 53 THR CA C 13 58.306 0.000 A 53 THR CB C 13 73.222 0.000 A 53 THR CG2 C 13 21.482 0.000 A 53 THR N N 15 122.978 0.000 A 54 SER H H 1 9.313 0.000 A 54 SER HA H 1 4.043 0.000 A 54 SER HB2 H 1 3.752 0.000 A 54 SER HB3 H 1 3.752 0.000 A 54 SER CA C 13 62.657 0.000 A 54 SER CB C 13 62.562 0.000 A 54 SER N N 15 119.228 0.000 A 55 GLU H H 1 8.975 0.000 A 55 GLU HA H 1 4.069 0.000 A 55 GLU HB2 H 1 2.014 0.000 A 55 GLU HB3 H 1 2.000 0.000 A 55 GLU HG2 H 1 2.363 0.000 A 55 GLU HG3 H 1 2.307 0.000 A 55 GLU CA C 13 59.675 0.000 A 55 GLU CB C 13 28.999 0.000 A 55 GLU CG C 13 36.083 0.000 A 55 GLU N N 15 121.233 0.000 A 56 GLY H H 1 8.517 0.000 A 56 GLY HA2 H 1 4.628 0.000 A 56 GLY HA3 H 1 3.781 0.000 A 56 GLY CA C 13 47.866 0.000 A 56 GLY N N 15 110.790 0.000 A 57 CYS H H 1 8.134 0.000 A 57 CYS HA H 1 4.024 0.000 A 57 CYS HB2 H 1 2.499 0.000 A 57 CYS HB3 H 1 3.478 0.000 A 57 CYS CA C 13 64.602 0.000 A 57 CYS CB C 13 47.795 0.000 A 57 CYS N N 15 118.602 0.000 A 58 ARG H H 1 8.488 0.000 A 58 ARG HA H 1 3.550 0.000 A 58 ARG HB2 H 1 1.965 0.000 A 58 ARG HB3 H 1 1.989 0.000 A 58 ARG HD2 H 1 3.095 0.000 A 58 ARG HD3 H 1 3.095 0.000 A 58 ARG HG2 H 1 1.500 0.000 A 58 ARG HG3 H 1 1.500 0.000 A 58 ARG CA C 13 59.707 0.000 A 58 ARG CB C 13 29.449 0.000 A 58 ARG CD C 13 43.247 0.000 A 58 ARG CG C 13 27.749 0.000 A 58 ARG N N 15 119.540 0.000 A 59 GLN H H 1 8.016 0.000 A 59 GLN HA H 1 4.052 0.000 A 59 GLN HB2 H 1 2.349 0.000 A 59 GLN HB3 H 1 2.349 0.000 A 59 GLN HG2 H 1 2.427 0.000 A 59 GLN HG3 H 1 2.482 0.000 A 59 GLN CA C 13 59.400 0.000 A 59 GLN CB C 13 28.234 0.000 A 59 GLN CG C 13 33.835 0.000 A 59 GLN N N 15 119.852 0.000 A 60 ILE H H 1 8.163 0.000 A 60 ILE HA H 1 3.612 0.008 A 60 ILE HB H 1 1.912 0.000 A 60 ILE HD1% H 1 0.757 0.031 A 60 ILE HG12 H 1 1.931 0.002 A 60 ILE HG13 H 1 0.843 0.000 A 60 ILE HG2% H 1 0.875 0.004 A 60 ILE CA C 13 65.651 0.021 A 60 ILE CB C 13 37.850 0.015 A 60 ILE CD1 C 13 14.888 0.012 A 60 ILE CG1 C 13 28.121 0.000 A 60 ILE CG2 C 13 19.403 0.053 A 60 ILE N N 15 120.790 0.000 A 61 LEU H H 1 8.370 0.000 A 61 LEU HA H 1 3.895 0.000 A 61 LEU HB2 H 1 1.752 0.000 A 61 LEU HB3 H 1 1.270 0.000 A 61 LEU HD1% H 1 0.404 0.008 A 61 LEU HD2% H 1 0.049 0.006 A 61 LEU HG H 1 1.663 0.000 A 61 LEU CA C 13 58.654 0.009 A 61 LEU CB C 13 40.776 0.000 A 61 LEU CD1 C 13 25.287 0.047 A 61 LEU CD2 C 13 22.453 0.020 A 61 LEU CG C 13 25.965 0.000 A 61 LEU N N 15 118.915 0.000 A 62 GLY H H 1 7.883 0.000 A 62 GLY HA2 H 1 3.950 0.000 A 62 GLY HA3 H 1 4.018 0.000 A 62 GLY CA C 13 47.184 0.000 A 62 GLY N N 15 104.332 0.000 A 63 GLN H H 1 7.795 0.000 A 63 GLN HA H 1 4.148 0.000 A 63 GLN HB2 H 1 2.247 0.008 A 63 GLN HB3 H 1 2.139 0.013 A 63 GLN HG2 H 1 2.509 0.007 A 63 GLN HG3 H 1 2.395 0.003 A 63 GLN CA C 13 57.873 0.000 A 63 GLN CB C 13 29.115 0.119 A 63 GLN CG C 13 34.212 0.076 A 63 GLN N N 15 119.852 0.000 A 64 LEU H H 1 8.252 0.000 A 64 LEU HA H 1 4.258 0.000 A 64 LEU HB2 H 1 2.104 0.004 A 64 LEU HB3 H 1 1.494 0.000 A 64 LEU HD1% H 1 0.774 0.009 A 64 LEU HD2% H 1 0.620 0.033 A 64 LEU HG H 1 1.902 0.000 A 64 LEU CA C 13 56.183 0.000 A 64 LEU CB C 13 44.198 0.000 A 64 LEU CD1 C 13 25.848 0.016 A 64 LEU CD2 C 13 21.746 0.113 A 64 LEU CG C 13 26.595 0.000 A 64 LEU N N 15 117.040 0.000 A 65 GLN H H 1 8.104 0.000 A 65 GLN HA H 1 3.779 0.000 A 65 GLN HB2 H 1 2.576 0.000 A 65 GLN HB3 H 1 2.494 0.000 A 65 GLN HG2 H 1 2.377 0.000 A 65 GLN HG3 H 1 2.377 0.000 A 65 GLN CA C 13 61.547 0.000 A 65 GLN CB C 13 25.864 0.000 A 65 GLN CG C 13 34.077 0.000 A 65 GLN N N 15 118.915 0.000 A 66 PRO HA H 1 4.383 0.000 A 66 PRO HB2 H 1 1.834 0.000 A 66 PRO HB3 H 1 2.379 0.000 A 66 PRO HD2 H 1 3.768 0.000 A 66 PRO HD3 H 1 3.567 0.000 A 66 PRO HG2 H 1 2.042 0.000 A 66 PRO HG3 H 1 2.043 0.000 A 66 PRO CA C 13 65.917 0.000 A 66 PRO CB C 13 31.099 0.000 A 66 PRO CD C 13 50.882 0.000 A 66 PRO CG C 13 28.237 0.000 A 67 SER H H 1 7.824 0.000 A 67 SER HA H 1 4.493 0.000 A 67 SER HB2 H 1 3.933 0.000 A 67 SER HB3 H 1 3.933 0.000 A 67 SER CA C 13 59.696 0.000 A 67 SER CB C 13 64.031 0.000 A 67 SER N N 15 111.415 0.000 A 68 LEU H H 1 7.647 0.000 A 68 LEU HA H 1 3.816 0.000 A 68 LEU HB2 H 1 1.618 0.002 A 68 LEU HB3 H 1 1.360 0.000 A 68 LEU HD1% H 1 0.162 0.004 A 68 LEU HD2% H 1 0.356 0.004 A 68 LEU HG H 1 1.473 0.000 A 68 LEU CA C 13 57.948 0.073 A 68 LEU CB C 13 41.769 0.077 A 68 LEU CD1 C 13 23.972 0.009 A 68 LEU CD2 C 13 22.164 0.004 A 68 LEU CG C 13 26.187 0.065 A 68 LEU N N 15 121.102 0.000 A 69 GLN H H 1 8.060 0.000 A 69 GLN HA H 1 4.069 0.000 A 69 GLN HB2 H 1 2.132 0.000 A 69 GLN HB3 H 1 2.132 0.000 A 69 GLN HG2 H 1 2.398 0.000 A 69 GLN HG3 H 1 2.398 0.000 A 69 GLN CA C 13 58.470 0.000 A 69 GLN CB C 13 28.428 0.000 A 69 GLN CG C 13 33.771 0.000 A 69 GLN N N 15 116.415 0.000 A 70 THR H H 1 7.515 0.000 A 70 THR HA H 1 4.481 0.000 A 70 THR HB H 1 4.527 0.002 A 70 THR HG2% H 1 1.192 0.000 A 70 THR CA C 13 61.291 0.068 A 70 THR CB C 13 69.415 0.052 A 70 THR CG2 C 13 21.573 0.000 A 70 THR N N 15 106.728 0.000 A 71 GLY H H 1 7.692 0.000 A 71 GLY HA2 H 1 4.211 0.000 A 71 GLY HA3 H 1 3.909 0.000 A 71 GLY CA C 13 45.553 0.000 A 71 GLY N N 15 109.540 0.000 A 72 SER H H 1 8.045 0.000 A 72 SER HA H 1 4.625 0.000 A 72 SER HB2 H 1 4.387 0.000 A 72 SER HB3 H 1 4.027 0.000 A 72 SER CA C 13 57.319 0.000 A 72 SER CB C 13 64.599 0.000 A 72 SER N N 15 114.540 0.000 A 73 GLU H H 1 9.092 0.000 A 73 GLU HA H 1 4.087 0.000 A 73 GLU HB2 H 1 2.114 0.000 A 73 GLU HB3 H 1 2.037 0.000 A 73 GLU HG2 H 1 2.382 0.000 A 73 GLU HG3 H 1 2.382 0.000 A 73 GLU CA C 13 59.380 0.000 A 73 GLU CB C 13 29.302 0.000 A 73 GLU CG C 13 36.063 0.000 A 73 GLU N N 15 124.228 0.000 A 74 GLU H H 1 8.665 0.000 A 74 GLU HA H 1 4.258 0.000 A 74 GLU HB2 H 1 2.228 0.000 A 74 GLU HB3 H 1 2.128 0.000 A 74 GLU HG2 H 1 2.504 0.000 A 74 GLU HG3 H 1 2.406 0.000 A 74 GLU CA C 13 60.306 0.000 A 74 GLU CB C 13 29.462 0.000 A 74 GLU CG C 13 36.623 0.000 A 74 GLU N N 15 120.165 0.000 A 75 LEU H H 1 7.765 0.000 A 75 LEU HA H 1 4.183 0.005 A 75 LEU HB2 H 1 1.803 0.000 A 75 LEU HB3 H 1 1.695 0.000 A 75 LEU HD1% H 1 0.873 0.013 A 75 LEU HD2% H 1 0.828 0.000 A 75 LEU HG H 1 1.695 0.000 A 75 LEU CA C 13 57.932 0.032 A 75 LEU CB C 13 41.178 0.000 A 75 LEU CD1 C 13 25.015 0.043 A 75 LEU CD2 C 13 25.243 0.000 A 75 LEU CG C 13 27.826 0.000 A 75 LEU N N 15 121.415 0.000 A 76 ARG H H 1 7.868 0.000 A 76 ARG HA H 1 3.933 0.000 A 76 ARG HB2 H 1 2.022 0.000 A 76 ARG HB3 H 1 2.022 0.000 A 76 ARG HD2 H 1 3.246 0.000 A 76 ARG HD3 H 1 3.246 0.000 A 76 ARG HG2 H 1 1.672 0.000 A 76 ARG HG3 H 1 1.672 0.000 A 76 ARG CA C 13 59.682 0.000 A 76 ARG CB C 13 29.197 0.000 A 76 ARG CD C 13 43.051 0.000 A 76 ARG CG C 13 27.371 0.000 A 76 ARG N N 15 119.228 0.000 A 77 SER H H 1 8.576 0.000 A 77 SER HA H 1 4.263 0.000 A 77 SER HB2 H 1 4.217 0.000 A 77 SER HB3 H 1 4.217 0.000 A 77 SER CA C 13 62.668 0.000 A 77 SER CB C 13 62.849 0.000 A 77 SER N N 15 114.228 0.000 A 78 LEU H H 1 8.458 0.000 A 78 LEU HA H 1 4.421 0.000 A 78 LEU HB2 H 1 2.380 0.002 A 78 LEU HB3 H 1 1.710 0.000 A 78 LEU HD1% H 1 0.850 0.012 A 78 LEU HD2% H 1 0.819 0.008 A 78 LEU HG H 1 1.501 0.002 A 78 LEU CA C 13 58.962 0.068 A 78 LEU CB C 13 41.918 0.042 A 78 LEU CD1 C 13 24.050 0.039 A 78 LEU CD2 C 13 26.278 0.011 A 78 LEU CG C 13 27.059 0.000 A 78 LEU N N 15 125.790 0.000 A 79 TYR H H 1 8.694 0.000 A 79 TYR HA H 1 3.661 0.000 A 79 TYR HB2 H 1 3.311 0.000 A 79 TYR HB3 H 1 2.791 0.000 A 79 TYR HD1 H 1 7.049 0.000 A 79 TYR HD2 H 1 7.049 0.000 A 79 TYR HE1 H 1 6.858 0.000 A 79 TYR HE2 H 1 6.858 0.000 A 79 TYR CA C 13 62.802 0.000 A 79 TYR CB C 13 39.194 0.000 A 79 TYR CD1 C 13 133.569 0.000 A 79 TYR CD2 C 13 133.569 0.000 A 79 TYR CE1 C 13 118.606 0.000 A 79 TYR CE2 C 13 118.606 0.000 A 79 TYR N N 15 119.852 0.000 A 80 ASN H H 1 8.871 0.000 A 80 ASN HA H 1 4.284 0.000 A 80 ASN HB2 H 1 3.211 0.000 A 80 ASN HB3 H 1 2.728 0.000 A 80 ASN HD21 H 1 6.409 0.000 A 80 ASN HD22 H 1 7.485 0.000 A 80 ASN CA C 13 55.787 0.000 A 80 ASN CB C 13 37.839 0.000 A 80 ASN N N 15 117.040 0.000 A 80 ASN ND2 N 15 104.540 0.000 A 81 THR H H 1 8.119 0.000 A 81 THR HA H 1 3.945 0.000 A 81 THR HB H 1 4.725 0.000 A 81 THR HG2% H 1 1.552 0.000 A 81 THR CA C 13 67.855 0.000 A 81 THR CB C 13 69.140 0.000 A 81 THR CG2 C 13 21.025 0.000 A 81 THR N N 15 115.790 0.000 A 82 ILE H H 1 8.090 0.000 A 82 ILE HA H 1 3.668 0.000 A 82 ILE HB H 1 1.842 0.000 A 82 ILE HD1% H 1 0.799 0.004 A 82 ILE HG12 H 1 1.182 0.000 A 82 ILE HG13 H 1 1.792 0.000 A 82 ILE HG2% H 1 0.887 0.001 A 82 ILE CA C 13 64.520 0.044 A 82 ILE CB C 13 36.486 0.000 A 82 ILE CD1 C 13 13.895 0.045 A 82 ILE CG1 C 13 28.847 0.000 A 82 ILE CG2 C 13 17.831 0.021 A 82 ILE N N 15 121.102 0.000 A 83 ALA H H 1 8.782 0.000 A 83 ALA HA H 1 3.891 0.000 A 83 ALA HB% H 1 1.354 0.035 A 83 ALA CA C 13 55.855 0.000 A 83 ALA CB C 13 17.841 0.009 A 83 ALA N N 15 125.165 0.000 A 84 VAL H H 1 7.795 0.000 A 84 VAL HA H 1 3.328 0.000 A 84 VAL HB H 1 1.946 0.000 A 84 VAL HG1% H 1 0.420 0.000 A 84 VAL HG2% H 1 0.993 0.000 A 84 VAL CA C 13 67.465 0.019 A 84 VAL CB C 13 30.695 0.009 A 84 VAL CG1 C 13 25.013 0.000 A 84 VAL CG2 C 13 23.410 0.000 A 84 VAL N N 15 117.665 0.000 A 85 LEU H H 1 8.163 0.000 A 85 LEU HA H 1 3.815 0.000 A 85 LEU HB2 H 1 1.881 0.001 A 85 LEU HB3 H 1 1.753 0.000 A 85 LEU HD1% H 1 0.509 0.003 A 85 LEU HD2% H 1 0.196 0.005 A 85 LEU HG H 1 1.393 0.000 A 85 LEU CA C 13 58.310 0.022 A 85 LEU CB C 13 42.148 0.035 A 85 LEU CD1 C 13 27.028 0.017 A 85 LEU CD2 C 13 23.881 0.029 A 85 LEU CG C 13 26.528 0.000 A 85 LEU N N 15 122.040 0.000 A 86 TYR H H 1 9.062 0.000 A 86 TYR HA H 1 3.912 0.000 A 86 TYR HB2 H 1 3.448 0.000 A 86 TYR HB3 H 1 2.861 0.000 A 86 TYR HD1 H 1 7.204 0.000 A 86 TYR HD2 H 1 7.204 0.000 A 86 TYR HE1 H 1 6.620 0.000 A 86 TYR HE2 H 1 6.620 0.000 A 86 TYR CA C 13 62.818 0.000 A 86 TYR CB C 13 38.287 0.000 A 86 TYR CD1 C 13 133.410 0.000 A 86 TYR CD2 C 13 133.410 0.000 A 86 TYR CE1 C 13 118.231 0.000 A 86 TYR CE2 C 13 118.231 0.000 A 86 TYR N N 15 118.915 0.000 A 87 CYS H H 1 7.515 0.000 A 87 CYS HA H 1 3.794 0.000 A 87 CYS HB2 H 1 3.324 0.000 A 87 CYS HB3 H 1 2.868 0.000 A 87 CYS CA C 13 65.966 0.000 A 87 CYS CB C 13 46.557 0.000 A 87 CYS N N 15 116.102 0.000 A 88 VAL H H 1 8.429 0.000 A 88 VAL HA H 1 3.878 0.000 A 88 VAL HB H 1 2.116 0.000 A 88 VAL HG1% H 1 0.960 0.000 A 88 VAL HG2% H 1 1.139 0.000 A 88 VAL CA C 13 66.421 0.000 A 88 VAL CB C 13 31.587 0.000 A 88 VAL CG1 C 13 21.656 0.000 A 88 VAL CG2 C 13 24.085 0.000 A 88 VAL N N 15 119.978 0.000 A 89 HIS H H 1 8.797 0.000 A 89 HIS HA H 1 4.875 0.000 A 89 HIS HB2 H 1 3.240 0.000 A 89 HIS HB3 H 1 3.240 0.000 A 89 HIS HD2 H 1 6.891 0.000 A 89 HIS HE1 H 1 8.946 0.000 A 89 HIS CA C 13 57.120 0.000 A 89 HIS CB C 13 29.083 0.000 A 89 HIS CD2 C 13 118.455 0.000 A 89 HIS N N 15 118.915 0.000 A 90 GLN H H 1 7.986 0.000 A 90 GLN HA H 1 4.385 0.000 A 90 GLN HB2 H 1 1.901 0.000 A 90 GLN HB3 H 1 1.667 0.000 A 90 GLN HG2 H 1 1.817 0.000 A 90 GLN HG3 H 1 1.817 0.000 A 90 GLN CA C 13 55.289 0.000 A 90 GLN CB C 13 30.952 0.000 A 90 GLN CG C 13 33.398 0.000 A 90 GLN N N 15 116.728 0.000 A 91 ARG H H 1 7.883 0.000 A 91 ARG HA H 1 4.013 0.000 A 91 ARG HB2 H 1 2.129 0.000 A 91 ARG HB3 H 1 1.920 0.000 A 91 ARG HD2 H 1 3.201 0.000 A 91 ARG HD3 H 1 3.201 0.000 A 91 ARG HG2 H 1 1.562 0.000 A 91 ARG HG3 H 1 1.562 0.000 A 91 ARG CA C 13 57.183 0.000 A 91 ARG CB C 13 26.049 0.000 A 91 ARG CD C 13 43.435 0.000 A 91 ARG CG C 13 27.681 0.000 A 91 ARG N N 15 115.165 0.000 A 92 ILE H H 1 8.335 0.000 A 92 ILE HA H 1 3.985 0.000 A 92 ILE HB H 1 1.544 0.000 A 92 ILE HD1% H 1 0.900 0.000 A 92 ILE HG12 H 1 1.503 0.000 A 92 ILE HG13 H 1 0.961 0.000 A 92 ILE HG2% H 1 0.848 0.000 A 92 ILE CA C 13 60.656 0.016 A 92 ILE CB C 13 38.930 0.002 A 92 ILE CD1 C 13 13.537 0.000 A 92 ILE CG1 C 13 27.141 0.014 A 92 ILE CG2 C 13 17.725 0.000 A 92 ILE N N 15 120.087 0.000 A 93 ASP H H 1 8.620 0.000 A 93 ASP HA H 1 4.485 0.000 A 93 ASP HB2 H 1 2.653 0.000 A 93 ASP HB3 H 1 2.535 0.000 A 93 ASP CA C 13 55.043 0.000 A 93 ASP CB C 13 40.396 0.000 A 93 ASP N N 15 129.228 0.000 A 94 VAL H H 1 7.751 0.000 A 94 VAL HA H 1 4.633 0.000 A 94 VAL HB H 1 2.147 0.000 A 94 VAL HG1% H 1 0.842 0.000 A 94 VAL HG2% H 1 0.916 0.000 A 94 VAL CA C 13 59.120 0.000 A 94 VAL CB C 13 35.512 0.000 A 94 VAL CG1 C 13 17.92 0.000 A 94 VAL CG2 C 13 23.416 0.000 A 94 VAL N N 15 115.790 0.000 A 95 LYS H H 1 9.239 0.000 A 95 LYS HA H 1 4.393 0.000 A 95 LYS HB2 H 1 1.834 0.000 A 95 LYS HB3 H 1 1.788 0.000 A 95 LYS HD2 H 1 2.128 0.000 A 95 LYS HD3 H 1 2.128 0.000 A 95 LYS HE2 H 1 2.989 0.000 A 95 LYS HE3 H 1 2.989 0.000 A 95 LYS HG2 H 1 1.558 0.000 A 95 LYS HG3 H 1 1.558 0.000 A 95 LYS CA C 13 56.671 0.000 A 95 LYS CB C 13 34.008 0.000 A 95 LYS CD C 13 30.297 0.000 A 95 LYS CE C 13 42.045 0.000 A 95 LYS CG C 13 24.586 0.000 A 95 LYS N N 15 118.915 0.000 A 96 ASP H H 1 7.412 0.000 A 96 ASP HA H 1 5.562 0.000 A 96 ASP HB2 H 1 2.609 0.000 A 96 ASP HB3 H 1 2.089 0.000 A 96 ASP CA C 13 52.829 0.000 A 96 ASP CB C 13 44.604 0.000 A 96 ASP N N 15 112.040 0.000 A 97 THR H H 1 7.250 0.000 A 97 THR HA H 1 3.661 0.000 A 97 THR HB H 1 4.023 0.000 A 97 THR HG2% H 1 1.314 0.000 A 97 THR CA C 13 65.947 0.000 A 97 THR CB C 13 70.285 0.000 A 97 THR CG2 C 13 22.771 0.000 A 97 THR N N 15 109.540 0.000 A 98 LYS H H 1 7.868 0.000 A 98 LYS HA H 1 3.945 0.000 A 98 LYS HB2 H 1 2.112 0.000 A 98 LYS HB3 H 1 1.781 0.000 A 98 LYS HD2 H 1 2.026 0.000 A 98 LYS HD3 H 1 2.026 0.000 A 98 LYS HE2 H 1 3.229 0.000 A 98 LYS HE3 H 1 3.229 0.000 A 98 LYS HG2 H 1 1.444 0.000 A 98 LYS HG3 H 1 1.444 0.000 A 98 LYS CA C 13 59.628 0.000 A 98 LYS CB C 13 31.927 0.000 A 98 LYS CD C 13 27.954 0.000 A 98 LYS CE C 13 43.076 0.000 A 98 LYS CG C 13 24.990 0.000 A 98 LYS N N 15 121.102 0.000 A 99 GLU H H 1 8.384 0.000 A 99 GLU HA H 1 4.077 0.000 A 99 GLU HB2 H 1 2.129 0.000 A 99 GLU HB3 H 1 2.129 0.000 A 99 GLU HG2 H 1 2.547 0.000 A 99 GLU HG3 H 1 2.253 0.000 A 99 GLU CA C 13 59.795 0.000 A 99 GLU CB C 13 30.246 0.000 A 99 GLU CG C 13 37.198 0.000 A 99 GLU N N 15 119.228 0.000 A 100 ALA H H 1 7.382 0.000 A 100 ALA HA H 1 4.386 0.000 A 100 ALA HB% H 1 1.519 0.000 A 100 ALA CA C 13 55.396 0.000 A 100 ALA CB C 13 19.759 0.000 A 100 ALA N N 15 118.915 0.000 A 101 LEU H H 1 8.119 0.000 A 101 LEU HA H 1 4.020 0.000 A 101 LEU HB2 H 1 2.090 0.000 A 101 LEU HB3 H 1 1.567 0.000 A 101 LEU HD1% H 1 0.940 0.000 A 101 LEU HD2% H 1 1.063 0.000 A 101 LEU HG H 1 1.887 0.000 A 101 LEU CA C 13 57.975 0.000 A 101 LEU CB C 13 41.493 0.000 A 101 LEU CD1 C 13 25.611 0.000 A 101 LEU CD2 C 13 22.225 0.000 A 101 LEU CG C 13 27.207 0.000 A 101 LEU N N 15 117.978 0.000 A 102 ASP H H 1 8.679 0.000 A 102 ASP HA H 1 4.367 0.000 A 102 ASP HB2 H 1 2.826 0.000 A 102 ASP HB3 H 1 2.706 0.000 A 102 ASP CA C 13 57.352 0.000 A 102 ASP CB C 13 39.722 0.000 A 102 ASP N N 15 120.478 0.000 A 103 LYS H H 1 8.207 0.000 A 103 LYS HA H 1 4.164 0.000 A 103 LYS HB2 H 1 2.263 0.000 A 103 LYS HB3 H 1 1.894 0.000 A 103 LYS HD2 H 1 1.760 0.000 A 103 LYS HD3 H 1 1.760 0.000 A 103 LYS HG2 H 1 1.772 0.000 A 103 LYS HG3 H 1 1.772 0.000 A 103 LYS CA C 13 58.364 0.000 A 103 LYS CB C 13 31.532 0.000 A 103 LYS CD C 13 27.950 0.000 A 103 LYS CG C 13 24.625 0.000 A 103 LYS N N 15 120.165 0.000 A 104 ILE H H 1 8.163 0.000 A 104 ILE HA H 1 3.810 0.000 A 104 ILE HB H 1 1.987 0.000 A 104 ILE HD1% H 1 0.719 0.000 A 104 ILE HG12 H 1 1.564 0.000 A 104 ILE HG13 H 1 1.362 0.000 A 104 ILE HG2% H 1 0.840 0.000 A 104 ILE CA C 13 64.608 0.000 A 104 ILE CB C 13 37.434 0.000 A 104 ILE CD1 C 13 14.192 0.000 A 104 ILE CG1 C 13 28.545 0.000 A 104 ILE CG2 C 13 17.860 0.000 A 104 ILE N N 15 119.852 0.000 A 105 GLU H H 1 8.001 0.000 A 105 GLU HA H 1 4.035 0.000 A 105 GLU HB2 H 1 1.808 0.000 A 105 GLU HB3 H 1 1.808 0.000 A 105 GLU HG2 H 1 2.366 0.000 A 105 GLU HG3 H 1 2.366 0.000 A 105 GLU CA C 13 59.634 0.000 A 105 GLU CB C 13 32.756 0.000 A 105 GLU CG C 13 36.082 0.000 A 105 GLU N N 15 121.415 0.000 A 106 GLU H H 1 8.031 0.000 A 106 GLU HA H 1 4.090 0.000 A 106 GLU HB2 H 1 2.191 0.000 A 106 GLU HB3 H 1 2.191 0.000 A 106 GLU HG2 H 1 2.381 0.000 A 106 GLU HG3 H 1 2.381 0.000 A 106 GLU CA C 13 59.267 0.000 A 106 GLU CB C 13 29.597 0.000 A 106 GLU CG C 13 36.284 0.000 A 106 GLU N N 15 119.228 0.000 A 107 GLU H H 1 8.016 0.000 A 107 GLU HA H 1 4.073 0.000 A 107 GLU HB2 H 1 2.230 0.000 A 107 GLU HB3 H 1 2.185 0.000 A 107 GLU HG2 H 1 2.410 0.000 A 107 GLU HG3 H 1 2.288 0.000 A 107 GLU CA C 13 59.341 0.000 A 107 GLU CB C 13 29.870 0.000 A 107 GLU CG C 13 36.435 0.000 A 107 GLU N N 15 118.915 0.000 A 108 GLN H H 1 8.252 0.000 A 108 GLN HA H 1 4.147 0.000 A 108 GLN HB2 H 1 2.159 0.000 A 108 GLN HB3 H 1 2.159 0.000 A 108 GLN HG2 H 1 2.516 0.000 A 108 GLN HG3 H 1 2.516 0.000 A 108 GLN CA C 13 58.407 0.000 A 108 GLN CB C 13 28.845 0.000 A 108 GLN CG C 13 34.085 0.000 A 108 GLN N N 15 118.290 0.000 A 109 ASN H H 1 8.252 0.000 A 109 ASN HA H 1 4.617 0.000 A 109 ASN HB2 H 1 2.880 0.000 A 109 ASN HB3 H 1 2.880 0.000 A 109 ASN CA C 13 54.882 0.000 A 109 ASN CB C 13 38.525 0.000 A 109 ASN N N 15 118.290 0.000 A 110 LYS H H 1 8.031 0.000 A 110 LYS HA H 1 4.230 0.000 A 110 LYS HB2 H 1 1.883 0.000 A 110 LYS HB3 H 1 1.883 0.000 A 110 LYS HD2 H 1 1.689 0.000 A 110 LYS HD3 H 1 1.689 0.000 A 110 LYS HE2 H 1 3.007 0.000 A 110 LYS HE3 H 1 3.007 0.000 A 110 LYS HG2 H 1 1.526 0.000 A 110 LYS HG3 H 1 1.526 0.000 A 110 LYS CA C 13 58.311 0.000 A 110 LYS CB C 13 32.691 0.000 A 110 LYS CD C 13 29.136 0.000 A 110 LYS CE C 13 42.075 0.000 A 110 LYS CG C 13 24.558 0.000 A 110 LYS N N 15 120.478 0.000 A 111 SER H H 1 8.031 0.000 A 111 SER HA H 1 4.368 0.000 A 111 SER HB2 H 1 3.932 0.000 A 111 SER HB3 H 1 3.932 0.000 A 111 SER CA C 13 59.764 0.000 A 111 SER CB C 13 63.442 0.000 A 111 SER N N 15 114.540 0.000 A 112 LYS H H 1 7.957 0.000 A 112 LYS HA H 1 4.245 0.000 A 112 LYS HB2 H 1 1.866 0.000 A 112 LYS HB3 H 1 1.866 0.000 A 112 LYS HD2 H 1 1.663 0.000 A 112 LYS HD3 H 1 1.663 0.000 A 112 LYS HG2 H 1 1.562 0.000 A 112 LYS HG3 H 1 1.430 0.000 A 112 LYS CA C 13 57.329 0.000 A 112 LYS CB C 13 32.775 0.000 A 112 LYS CD C 13 29.137 0.000 A 112 LYS CG C 13 24.654 0.000 A 112 LYS N N 15 122.040 0.000 A 113 LYS H H 1 8.016 0.000 A 113 LYS HA H 1 4.150 0.000 A 113 LYS HB2 H 1 1.835 0.000 A 113 LYS HB3 H 1 1.835 0.000 A 113 LYS HD2 H 1 1.681 0.000 A 113 LYS HD3 H 1 1.681 0.000 A 113 LYS HG2 H 1 1.504 0.000 A 113 LYS HG3 H 1 1.504 0.000 A 113 LYS CA C 13 59.134 0.000 A 113 LYS CB C 13 32.766 0.000 A 113 LYS CD C 13 29.053 0.000 A 113 LYS CG C 13 24.593 0.000 A 113 LYS N N 15 120.790 0.000 A 114 LYS H H 1 8.119 0.000 A 114 LYS HA H 1 4.263 0.000 A 114 LYS HB2 H 1 1.830 0.000 A 114 LYS HB3 H 1 1.830 0.000 A 114 LYS HD2 H 1 1.676 0.000 A 114 LYS HD3 H 1 1.676 0.000 A 114 LYS HG2 H 1 1.430 0.000 A 114 LYS HG3 H 1 1.430 0.000 A 114 LYS CA C 13 57.185 0.000 A 114 LYS CB C 13 32.857 0.000 A 114 LYS CD C 13 29.082 0.000 A 114 LYS CG C 13 24.621 0.000 A 114 LYS N N 15 121.728 0.000 A 115 ALA H H 1 8.178 0.000 A 115 ALA HA H 1 4.268 0.000 A 115 ALA HB% H 1 1.426 0.000 A 115 ALA CA C 13 53.035 0.000 A 115 ALA CB C 13 19.038 0.000 A 115 ALA N N 15 124.228 0.000 A 116 GLN H H 1 8.237 0.000 A 116 GLN HA H 1 4.248 0.000 A 116 GLN HB2 H 1 2.075 0.000 A 116 GLN HB3 H 1 2.075 0.000 A 116 GLN HG2 H 1 2.419 0.000 A 116 GLN HG3 H 1 2.419 0.000 A 116 GLN CA C 13 56.549 0.000 A 116 GLN CG C 13 34.036 0.000 A 116 GLN N N 15 119.228 0.000 A 117 GLN H H 1 8.266 0.000 A 117 GLN HA H 1 4.269 0.000 A 117 GLN HB2 H 1 2.018 0.000 A 117 GLN HB3 H 1 2.018 0.000 A 117 GLN HG2 H 1 2.383 0.000 A 117 GLN HG3 H 1 2.383 0.000 A 117 GLN CA C 13 56.324 0.000 A 117 GLN CB C 13 29.606 0.000 A 117 GLN CG C 13 33.976 0.000 A 117 GLN N N 15 120.478 0.000 A 118 ALA H H 1 8.266 0.000 A 118 ALA HA H 1 4.276 0.000 A 118 ALA HB% H 1 1.415 0.000 A 118 ALA CA C 13 52.837 0.000 A 118 ALA CB C 13 19.062 0.000 A 118 ALA N N 15 124.852 0.000 A 119 ALA H H 1 8.163 0.000 A 119 ALA HA H 1 4.294 0.000 A 119 ALA HB% H 1 1.404 0.000 A 119 ALA CA C 13 52.637 0.000 A 119 ALA CB C 13 19.201 0.000 A 119 ALA N N 15 122.978 0.000 A 120 ALA H H 1 8.163 0.000 A 120 ALA HA H 1 4.277 0.000 A 120 ALA HB% H 1 1.393 0.000 A 120 ALA CA C 13 52.736 0.000 A 120 ALA CB C 13 19.167 0.000 A 120 ALA N N 15 122.665 0.000 A 121 ASP H H 1 8.252 0.000 A 121 ASP HA H 1 4.682 0.000 A 121 ASP HB2 H 1 2.718 0.000 A 121 ASP HB3 H 1 2.718 0.000 A 121 ASP CA C 13 54.264 0.000 A 121 ASP CB C 13 41.128 0.000 A 121 ASP N N 15 119.228 0.000 A 122 THR H H 1 8.075 0.000 A 122 THR HA H 1 4.358 0.000 A 122 THR HB H 1 4.358 0.000 A 122 THR HG2% H 1 1.194 0.000 A 122 THR CA C 13 61.971 0.000 A 122 THR CB C 13 69.586 0.101 A 122 THR CG2 C 13 21.619 0.000 A 122 THR N N 15 113.602 0.000 A 123 GLY H H 1 8.414 0.000 A 123 GLY HA2 H 1 3.934 0.000 A 123 GLY HA3 H 1 3.976 0.000 A 123 GLY CA C 13 45.603 0.000 A 123 GLY N N 15 110.478 0.000 A 124 ASN H H 1 8.266 0.000 A 124 ASN HA H 1 4.608 0.000 A 124 ASN HB2 H 1 2.840 0.000 A 124 ASN HB3 H 1 2.840 0.000 A 124 ASN CA C 13 54.733 0.000 A 124 ASN CB C 13 38.538 0.000 A 124 ASN N N 15 118.602 0.000 A 125 ASN H H 1 8.443 0.000 A 125 ASN HA H 1 4.724 0.000 A 125 ASN HB2 H 1 2.798 0.000 A 125 ASN HB3 H 1 2.798 0.000 A 125 ASN CA C 13 53.453 0.000 A 125 ASN CB C 13 38.813 0.000 A 125 ASN N N 15 119.228 0.000 A 126 SER H H 1 8.266 0.000 A 126 SER HA H 1 4.388 0.000 A 126 SER HB2 H 1 3.887 0.000 A 126 SER HB3 H 1 3.887 0.000 A 126 SER CA C 13 58.851 0.000 A 126 SER CB C 13 63.926 0.000 A 126 SER N N 15 115.790 0.000 A 127 GLN H H 1 8.355 0.000 A 127 GLN HA H 1 4.323 0.000 A 127 GLN HB2 H 1 1.964 0.000 A 127 GLN HB3 H 1 1.964 0.000 A 127 GLN HG2 H 1 2.346 0.000 A 127 GLN HG3 H 1 2.298 0.000 A 127 GLN CA C 13 56.223 0.000 A 127 GLN CB C 13 29.168 0.000 A 127 GLN CG C 13 33.774 0.000 A 127 GLN N N 15 121.728 0.000 A 128 VAL H H 1 7.986 0.000 A 128 VAL HA H 1 4.109 0.000 A 128 VAL HB H 1 2.023 0.000 A 128 VAL HG1% H 1 0.929 0.000 A 128 VAL HG2% H 1 0.900 0.000 A 128 VAL CA C 13 62.665 0.000 A 128 VAL CB C 13 32.769 0.000 A 128 VAL CG1 C 13 19.196 0.000 A 128 VAL CG2 C 13 20.601 0.000 A 128 VAL N N 15 119.852 0.000 A 129 SER H H 1 8.252 0.000 A 129 SER HA H 1 4.136 0.000 A 129 SER HB2 H 1 3.839 0.000 A 129 SER HB3 H 1 3.839 0.000 A 129 SER CA C 13 58.404 0.000 A 129 SER CB C 13 63.755 0.000 A 129 SER N N 15 117.978 0.000 A 130 GLN H H 1 8.355 0.000 A 130 GLN HA H 1 4.355 0.000 A 130 GLN HB2 H 1 1.995 0.000 A 130 GLN HB3 H 1 1.995 0.000 A 130 GLN HG2 H 1 2.333 0.000 A 130 GLN HG3 H 1 2.333 0.000 A 130 GLN CA C 13 56.150 0.000 A 130 GLN CB C 13 29.373 0.000 A 130 GLN CG C 13 34.034 0.000 A 130 GLN N N 15 121.728 0.000 A 131 ASN H H 1 8.252 0.000 A 131 ASN HA H 1 4.632 0.000 A 131 ASN CA C 13 53.568 0.000 A 131 ASN N N 15 118.290 0.000 A 132 TYR H H 1 7.957 0.000 A 132 TYR HA H 1 4.431 0.000 A 132 TYR HB2 H 1 2.826 0.000 A 132 TYR HB3 H 1 2.826 0.000 A 132 TYR HE1 H 1 6.954 0.000 A 132 TYR HE2 H 1 6.954 0.000 A 132 TYR CA C 13 58.185 0.000 A 132 TYR CB C 13 38.492 0.000 A 132 TYR CE1 C 13 118.192 0.000 A 132 TYR CE2 C 13 118.192 0.000 A 132 TYR N N 15 120.165 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 GLY H A 11 GLY H 1.0 . 2.9 2 2 A 11 GLY H A 12 GLU H 1.0 . 2.9 3 3 A 12 GLU H A 13 LEU H 1.0 . 2.9 4 4 A 13 LEU H A 14 ASP H 1.0 . 2.9 5 5 A 14 ASP H A 15 LYS H 1.0 . 2.9 6 6 A 15 LYS H A 16 TRP H 1.0 . 2.9 7 7 A 16 TRP H A 17 GLU H 1.0 . 2.9 8 8 A 17 GLU H A 18 LYS H 1.0 . 2.9 9 9 A 18 LYS H A 19 ILE H 1.0 . 2.9 10 10 A 10 GLY H A 12 GLU H 1.0 . 5.0 11 11 A 11 GLY H A 13 LEU H 1.0 . 5.0 12 12 A 12 GLU H A 14 ASP H 1.0 . 5.0 13 13 A 13 LEU H A 15 LYS H 1.0 . 5.0 14 14 A 14 ASP H A 16 TRP H 1.0 . 5.0 15 15 A 15 LYS H A 17 GLU H 1.0 . 5.0 16 16 A 13 LEU H A 16 TRP H 1.0 . 5.0 17 17 A 14 ASP H A 17 GLU H 1.0 . 5.0 18 18 A 10 GLY H A 9 SER HA 1.0 . 2.7 19 19 A 11 GLY H A 10 GLY HA3 1.0 . 2.7 20 20 A 14 ASP H A 12 GLU HA 1.0 . 5.0 21 21 A 15 LYS H A 13 LEU HA 1.0 . 5.0 22 22 A 16 TRP H A 14 ASP HA 1.0 . 5.0 23 23 A 17 GLU H A 15 LYS HA 1.0 . 5.0 24 24 A 18 LYS H A 16 TRP HA 1.0 . 5.0 25 25 A 19 ILE H A 17 GLU HA 1.0 . 5.0 26 26 A 13 LEU H A 10 GLY HA2 1.0 . 5.0 27 27 A 14 ASP H A 11 GLY HA2 1.0 . 5.0 28 28 A 15 LYS H A 12 GLU HA 1.0 . 5.0 29 29 A 16 TRP H A 13 LEU HA 1.0 . 5.0 30 30 A 17 GLU H A 14 ASP HA 1.0 . 5.0 31 31 A 18 LYS H A 15 LYS HA 1.0 . 5.0 32 32 A 19 ILE H A 16 TRP HA 1.0 . 5.0 33 33 A 13 LEU H A 9 SER HA 1.0 . 5.0 34 34 A 14 ASP H A 10 GLY HA2 1.0 . 5.0 35 35 A 16 TRP H A 12 GLU HA 1.0 . 5.0 36 36 A 17 GLU H A 13 LEU HA 1.0 . 5.0 37 37 A 10 GLY HA2 A 13 LEU HB2 1.0 . 3.3 38 38 A 10 GLY HA2 A 13 LEU HB3 1.0 . 3.3 39 39 A 11 GLY HA2 A 14 ASP HB2 1.0 . 3.3 40 39 A 11 GLY HA2 A 14 ASP HB3 1.0 . 3.3 41 40 A 12 GLU HA A 15 LYS HB2 1.0 . 3.3 42 40 A 12 GLU HA A 15 LYS HB3 1.0 . 3.3 43 41 A 13 LEU HA A 16 TRP HB2 1.0 . 3.3 44 42 A 13 LEU HA A 16 TRP HB3 1.0 . 2.7 45 43 A 14 ASP HA A 17 GLU HB2 1.0 . 3.3 46 43 A 14 ASP HA A 17 GLU HB3 1.0 . 3.3 47 44 A 19 ILE HA A 20 ARG H 1.0 . 2.7 48 45 A 20 ARG HA A 21 LEU H 1.0 . 2.7 49 46 A 21 LEU H A 22 ARG H 1.0 . 2.7 50 47 A 22 ARG HA A 23 PRO HD2 1.0 . 2.9 51 48 A 22 ARG HA A 23 PRO HD3 1.0 . 2.9 52 49 A 24 GLY H A 25 GLY H 1.0 . 3.3 53 50 A 25 GLY HA2 A 26 LYS H 1.0 . 2.7 54 51 A 26 LYS H A 25 GLY HA3 1.0 . 2.7 55 52 A 26 LYS H A 27 LYS H 1.0 . 2.7 56 53 A 27 LYS HA A 28 GLN H 1.0 . 2.7 57 54 A 28 GLN HA A 29 TYR H 1.0 . 2.7 58 55 A 29 TYR HA A 30 LYS H 1.0 . 2.7 59 56 A 17 GLU HA A 29 TYR HA 1.0 . 5.0 60 57 A 17 GLU HA A 30 LYS HA 1.0 . 5.0 61 58 A 20 ARG HA A 28 GLN HA 1.0 . 2.7 62 59 A 17 GLU HA A 29 TYR H 1.0 . 5.0 63 60 A 29 TYR H A 18 LYS HA 1.0 . 5.0 64 61 A 20 ARG HA A 29 TYR H 1.0 . 5.0 65 62 A 21 LEU H A 28 GLN HA 1.0 . 3.3 66 63 A 22 ARG H A 25 GLY HA3 1.0 . 5.0 67 64 A 25 GLY H A 23 PRO HA 1.0 . 5.0 68 65 A 19 ILE H A 29 TYR H 1.0 . 5.0 69 66 A 20 ARG H A 97 THR H 1.0 . 5.0 70 67 A 21 LEU H A 27 LYS H 1.0 . 5.0 71 68 A 22 ARG H A 25 GLY H 1.0 . 5.0 72 69 A 31 LEU H A 32 LYS H 1.0 . 2.9 73 70 A 32 LYS H A 33 HIS H 1.0 . 2.9 74 71 A 33 HIS H A 34 ILE H 1.0 . 2.9 75 72 A 34 ILE H A 35 VAL H 1.0 . 2.9 76 73 A 35 VAL H A 36 TRP H 1.0 . 2.9 77 74 A 36 TRP H A 37 ALA H 1.0 . 2.9 78 75 A 37 ALA H A 38 SER H 1.0 . 2.9 79 76 A 38 SER H A 39 ARG H 1.0 . 2.9 80 77 A 39 ARG H A 40 GLU H 1.0 . 2.9 81 78 A 40 GLU H A 41 LEU H 1.0 . 2.9 82 79 A 41 LEU H A 42 GLU H 1.0 . 2.9 83 80 A 42 GLU H A 43 ARG H 1.0 . 2.9 84 81 A 43 ARG H A 44 PHE H 1.0 . 2.9 85 82 A 44 PHE H A 45 ALA H 1.0 . 2.9 86 83 A 31 LEU H A 33 HIS H 1.0 . 5.0 87 84 A 32 LYS H A 34 ILE H 1.0 . 5.0 88 85 A 33 HIS H A 35 VAL H 1.0 . 5.0 89 86 A 34 ILE H A 36 TRP H 1.0 . 5.0 90 87 A 35 VAL H A 37 ALA H 1.0 . 5.0 91 88 A 36 TRP H A 38 SER H 1.0 . 5.0 92 89 A 37 ALA H A 39 ARG H 1.0 . 5.0 93 90 A 38 SER H A 40 GLU H 1.0 . 5.0 94 91 A 39 ARG H A 41 LEU H 1.0 . 5.0 95 92 A 40 GLU H A 42 GLU H 1.0 . 5.0 96 93 A 41 LEU H A 43 ARG H 1.0 . 5.0 97 94 A 42 GLU H A 44 PHE H 1.0 . 5.0 98 95 A 43 ARG H A 45 ALA H 1.0 . 5.0 99 96 A 44 PHE H A 46 VAL H 1.0 . 5.0 100 97 A 30 LYS H A 33 HIS H 1.0 . 5.0 101 98 A 31 LEU H A 34 ILE H 1.0 . 5.0 102 99 A 32 LYS H A 35 VAL H 1.0 . 5.0 103 100 A 35 VAL H A 38 SER H 1.0 . 5.0 104 101 A 36 TRP H A 39 ARG H 1.0 . 5.0 105 102 A 37 ALA H A 40 GLU H 1.0 . 5.0 106 103 A 38 SER H A 41 LEU H 1.0 . 5.0 107 104 A 40 GLU H A 43 ARG H 1.0 . 5.0 108 105 A 41 LEU H A 44 PHE H 1.0 . 5.0 109 106 A 30 LYS HA A 31 LEU H 1.0 . 2.7 110 107 A 45 ALA H A 43 ARG HA 1.0 . 5.0 111 108 A 34 ILE H A 31 LEU HA 1.0 . 5.0 112 109 A 35 VAL H A 32 LYS HA 1.0 . 5.0 113 110 A 36 TRP H A 33 HIS HA 1.0 . 5.0 114 111 A 37 ALA H A 34 ILE HA 1.0 . 5.0 115 112 A 38 SER H A 35 VAL HA 1.0 . 5.0 116 113 A 39 ARG H A 36 TRP HA 1.0 . 5.0 117 114 A 40 GLU H A 37 ALA HA 1.0 . 5.0 118 115 A 41 LEU H A 38 SER HA 1.0 . 5.0 119 116 A 42 GLU H A 39 ARG HA 1.0 . 5.0 120 117 A 43 ARG H A 40 GLU HA 1.0 . 5.0 121 118 A 44 PHE H A 41 LEU HA 1.0 . 5.0 122 119 A 45 ALA H A 42 GLU HA 1.0 . 5.0 123 120 A 36 TRP H A 32 LYS HA 1.0 . 5.0 124 121 A 37 ALA H A 33 HIS HA 1.0 . 5.0 125 122 A 31 LEU HA A 34 ILE HB 1.0 . 3.3 126 123 A 32 LYS HA A 35 VAL HB 1.0 . 3.3 127 124 A 33 HIS HA A 36 TRP HB2 1.0 . 3.3 128 124 A 33 HIS HA A 36 TRP HB3 1.0 . 3.3 129 125 A 34 ILE HA A 37 ALA HB% 1.0 . 3.3 130 126 A 35 VAL HA A 38 SER HB2 1.0 . 3.3 131 126 A 35 VAL HA A 38 SER HB3 1.0 . 3.3 132 127 A 36 TRP HA A 39 ARG HB2 1.0 . 3.3 133 127 A 36 TRP HA A 39 ARG HB3 1.0 . 3.3 134 128 A 37 ALA HA A 40 GLU HB2 1.0 . 3.3 135 129 A 37 ALA HA A 40 GLU HB3 1.0 . 3.3 136 130 A 38 SER HA A 41 LEU HB2 1.0 . 3.3 137 130 A 38 SER HA A 41 LEU HB3 1.0 . 3.3 138 131 A 39 ARG HA A 42 GLU HB2 1.0 . 3.3 139 131 A 39 ARG HA A 42 GLU HB3 1.0 . 3.3 140 132 A 40 GLU HA A 43 ARG HB2 1.0 . 3.3 141 132 A 40 GLU HA A 43 ARG HB3 1.0 . 3.3 142 133 A 41 LEU HA A 44 PHE HB2 1.0 . 5.0 143 134 A 46 VAL H A 45 ALA HA 1.0 . 3.3 144 135 A 46 VAL HA A 47 ASN H 1.0 . 2.7 145 136 A 47 ASN HA A 48 PRO HD3 1.0 . 2.7 146 137 A 47 ASN HA A 48 PRO HD2 1.0 . 2.7 147 138 A 49 GLY H A 50 LEU H 1.0 . 2.7 148 139 A 50 LEU H A 51 LEU H 1.0 . 2.7 149 140 A 51 LEU H A 52 GLU H 1.0 . 2.7 150 141 A 52 GLU H A 53 THR H 1.0 . 2.7 151 142 A 49 GLY H A 51 LEU H 1.0 . 5.0 152 143 A 50 LEU H A 52 GLU H 1.0 . 5.0 153 144 A 51 LEU H A 53 THR H 1.0 . 5.0 154 145 A 53 THR H A 52 GLU HA 1.0 . 3.3 155 146 A 50 LEU H A 48 PRO HA 1.0 . 5.0 156 147 A 53 THR H A 50 LEU HA 1.0 . 5.0 157 148 A 48 PRO HA A 51 LEU HB2 1.0 . 5.0 158 148 A 48 PRO HA A 51 LEU HB3 1.0 . 5.0 159 149 A 54 SER H A 55 GLU H 1.0 . 2.9 160 150 A 55 GLU H A 56 GLY H 1.0 . 2.9 161 151 A 56 GLY H A 57 CYS H 1.0 . 2.9 162 152 A 57 CYS H A 58 ARG H 1.0 . 2.9 163 153 A 58 ARG H A 59 GLN H 1.0 . 2.9 164 154 A 59 GLN H A 60 ILE H 1.0 . 2.9 165 155 A 60 ILE H A 61 LEU H 1.0 . 2.9 166 156 A 61 LEU H A 62 GLY H 1.0 . 2.9 167 157 A 62 GLY H A 63 GLN H 1.0 . 2.9 168 158 A 63 GLN H A 64 LEU H 1.0 . 2.9 169 159 A 64 LEU H A 65 GLN H 1.0 . 2.9 170 160 A 53 THR H A 55 GLU H 1.0 . 5.0 171 161 A 54 SER H A 56 GLY H 1.0 . 5.0 172 162 A 55 GLU H A 57 CYS H 1.0 . 5.0 173 163 A 56 GLY H A 58 ARG H 1.0 . 5.0 174 164 A 57 CYS H A 59 GLN H 1.0 . 5.0 175 165 A 58 ARG H A 60 ILE H 1.0 . 5.0 176 166 A 59 GLN H A 61 LEU H 1.0 . 5.0 177 167 A 60 ILE H A 62 GLY H 1.0 . 5.0 178 168 A 61 LEU H A 63 GLN H 1.0 . 5.0 179 169 A 62 GLY H A 64 LEU H 1.0 . 5.0 180 170 A 63 GLN H A 65 GLN H 1.0 . 5.0 181 171 A 53 THR H A 56 GLY H 1.0 . 5.0 182 172 A 53 THR H A 57 CYS H 1.0 . 5.0 183 173 A 54 SER H A 53 THR HA 1.0 . 2.7 184 174 A 57 CYS H A 54 SER HA 1.0 . 5.0 185 175 A 58 ARG H A 55 GLU HA 1.0 . 5.0 186 176 A 59 GLN H A 56 GLY HA2 1.0 . 5.0 187 177 A 60 ILE H A 57 CYS HA 1.0 . 5.0 188 178 A 61 LEU H A 58 ARG HA 1.0 . 5.0 189 179 A 62 GLY H A 59 GLN HA 1.0 . 5.0 190 180 A 63 GLN H A 60 ILE HA 1.0 . 5.0 191 181 A 64 LEU H A 61 LEU HA 1.0 . 5.0 192 182 A 65 GLN H A 62 GLY HA2 1.0 . 5.0 193 182 A 65 GLN H A 62 GLY HA3 1.0 . 5.0 194 183 A 62 GLY H A 58 ARG HA 1.0 . 5.0 195 184 A 55 GLU HA A 58 ARG HB2 1.0 . 3.3 196 184 A 55 GLU HA A 58 ARG HB3 1.0 . 3.3 197 185 A 56 GLY HA2 A 59 GLN HB2 1.0 . 3.3 198 185 A 56 GLY HA2 A 59 GLN HB3 1.0 . 3.3 199 186 A 57 CYS HA A 60 ILE HB 1.0 . 5.0 200 187 A 58 ARG HA A 61 LEU HB3 1.0 . 5.0 201 188 A 60 ILE HA A 63 GLN HB2 1.0 . 3.3 202 188 A 60 ILE HA A 63 GLN HB3 1.0 . 3.3 203 189 A 61 LEU HA A 64 LEU HB3 1.0 . 5.0 204 190 A 62 GLY HA3 A 65 GLN HB2 1.0 . 5.0 205 190 A 62 GLY HA2 A 65 GLN HB2 1.0 . 5.0 206 191 A 67 SER H A 68 LEU H 1.0 . 2.9 207 192 A 68 LEU H A 69 GLN H 1.0 . 2.9 208 193 A 69 GLN H A 70 THR H 1.0 . 2.9 209 194 A 70 THR H A 71 GLY H 1.0 . 2.9 210 195 A 67 SER H A 69 GLN H 1.0 . 5.0 211 196 A 68 LEU H A 70 THR H 1.0 . 5.0 212 197 A 69 GLN H A 71 GLY H 1.0 . 5.0 213 198 A 71 GLY HA2 A 72 SER H 1.0 . 2.7 214 199 A 72 SER H A 71 GLY HA3 1.0 . 3.3 215 200 A 67 SER H A 65 GLN HA 1.0 . 5.0 216 201 A 68 LEU H A 66 PRO HA 1.0 . 5.0 217 202 A 69 GLN H A 67 SER HA 1.0 . 5.0 218 203 A 70 THR H A 68 LEU HA 1.0 . 5.0 219 204 A 71 GLY H A 69 GLN HA 1.0 . 5.0 220 205 A 67 SER H A 64 LEU HA 1.0 . 5.0 221 206 A 68 LEU H A 65 GLN HA 1.0 . 5.0 222 207 A 69 GLN H A 66 PRO HA 1.0 . 5.0 223 208 A 70 THR H A 67 SER HA 1.0 . 5.0 224 209 A 71 GLY H A 68 LEU HA 1.0 . 5.0 225 210 A 73 GLU H A 74 GLU H 1.0 . 2.9 226 211 A 74 GLU H A 75 LEU H 1.0 . 2.9 227 212 A 75 LEU H A 76 ARG H 1.0 . 2.9 228 213 A 76 ARG H A 77 SER H 1.0 . 2.9 229 214 A 77 SER H A 78 LEU H 1.0 . 2.9 230 215 A 78 LEU H A 79 TYR H 1.0 . 2.9 231 216 A 79 TYR H A 80 ASN H 1.0 . 2.9 232 217 A 80 ASN H A 81 THR H 1.0 . 2.9 233 218 A 81 THR H A 82 ILE H 1.0 . 2.9 234 219 A 82 ILE H A 83 ALA H 1.0 . 2.9 235 220 A 83 ALA H A 84 VAL H 1.0 . 2.9 236 221 A 84 VAL H A 85 LEU H 1.0 . 2.9 237 222 A 85 LEU H A 86 TYR H 1.0 . 2.9 238 223 A 86 TYR H A 87 CYS H 1.0 . 2.9 239 224 A 87 CYS H A 88 VAL H 1.0 . 2.9 240 225 A 88 VAL H A 89 HIS H 1.0 . 2.9 241 226 A 89 HIS H A 90 GLN H 1.0 . 2.9 242 227 A 90 GLN H A 91 ARG H 1.0 . 2.9 243 228 A 91 ARG H A 92 ILE H 1.0 . 2.9 244 229 A 73 GLU H A 75 LEU H 1.0 . 5.0 245 230 A 74 GLU H A 76 ARG H 1.0 . 5.0 246 231 A 75 LEU H A 77 SER H 1.0 . 5.0 247 232 A 76 ARG H A 78 LEU H 1.0 . 5.0 248 233 A 77 SER H A 79 TYR H 1.0 . 5.0 249 234 A 78 LEU H A 80 ASN H 1.0 . 5.0 250 235 A 79 TYR H A 81 THR H 1.0 . 5.0 251 236 A 80 ASN H A 82 ILE H 1.0 . 5.0 252 237 A 81 THR H A 83 ALA H 1.0 . 5.0 253 238 A 83 ALA H A 85 LEU H 1.0 . 5.0 254 239 A 84 VAL H A 86 TYR H 1.0 . 5.0 255 240 A 85 LEU H A 87 CYS H 1.0 . 5.0 256 241 A 86 TYR H A 88 VAL H 1.0 . 5.0 257 242 A 87 CYS H A 89 HIS H 1.0 . 5.0 258 243 A 88 VAL H A 90 GLN H 1.0 . 5.0 259 244 A 89 HIS H A 91 ARG H 1.0 . 5.0 260 245 A 90 GLN H A 92 ILE H 1.0 . 5.0 261 246 A 72 SER H A 75 LEU H 1.0 . 5.0 262 247 A 73 GLU H A 76 ARG H 1.0 . 5.0 263 248 A 75 LEU H A 78 LEU H 1.0 . 5.0 264 249 A 76 ARG H A 79 TYR H 1.0 . 5.0 265 250 A 77 SER H A 80 ASN H 1.0 . 5.0 266 251 A 73 GLU H A 72 SER HA 1.0 . 2.7 267 252 A 74 GLU H A 72 SER HB2 1.0 . 5.0 268 253 A 76 ARG H A 73 GLU HA 1.0 . 5.0 269 254 A 77 SER H A 74 GLU HA 1.0 . 5.0 270 255 A 78 LEU H A 75 LEU HA 1.0 . 5.0 271 256 A 79 TYR H A 76 ARG HA 1.0 . 5.0 272 257 A 80 ASN H A 77 SER HA 1.0 . 5.0 273 258 A 81 THR H A 78 LEU HA 1.0 . 5.0 274 259 A 82 ILE H A 79 TYR HA 1.0 . 5.0 275 260 A 83 ALA H A 80 ASN HA 1.0 . 5.0 276 261 A 84 VAL H A 81 THR HA 1.0 . 5.0 277 262 A 85 LEU H A 82 ILE HA 1.0 . 5.0 278 263 A 86 TYR H A 83 ALA HA 1.0 . 5.0 279 264 A 87 CYS H A 84 VAL HA 1.0 . 5.0 280 265 A 88 VAL H A 85 LEU HA 1.0 . 5.0 281 266 A 89 HIS H A 86 TYR HA 1.0 . 5.0 282 267 A 90 GLN H A 87 CYS HA 1.0 . 5.0 283 268 A 91 ARG H A 88 VAL HA 1.0 . 5.0 284 269 A 79 TYR H A 75 LEU HA 1.0 . 5.0 285 270 A 80 ASN H A 76 ARG HA 1.0 . 5.0 286 271 A 84 VAL H A 80 ASN HA 1.0 . 5.0 287 272 A 86 TYR H A 82 ILE HA 1.0 . 5.0 288 273 A 89 HIS H A 85 LEU HA 1.0 . 5.0 289 274 A 90 GLN H A 86 TYR HA 1.0 . 5.0 290 275 A 73 GLU HA A 76 ARG HB2 1.0 . 3.3 291 275 A 73 GLU HA A 76 ARG HB3 1.0 . 3.3 292 276 A 74 GLU HA A 77 SER HB2 1.0 . 5.0 293 276 A 74 GLU HA A 77 SER HB3 1.0 . 5.0 294 277 A 75 LEU HA A 78 LEU HB3 1.0 . 3.3 295 277 A 75 LEU HA A 78 LEU HB2 1.0 . 3.3 296 278 A 76 ARG HA A 79 TYR HB2 1.0 . 3.3 297 278 A 76 ARG HA A 79 TYR HB3 1.0 . 3.3 298 279 A 77 SER HA A 80 ASN HB2 1.0 . 3.3 299 279 A 77 SER HA A 80 ASN HB3 1.0 . 3.3 300 280 A 78 LEU HA A 81 THR HB 1.0 . 3.3 301 281 A 79 TYR HA A 82 ILE HB 1.0 . 5.0 302 282 A 80 ASN HA A 83 ALA HB% 1.0 . 3.3 303 283 A 81 THR HA A 84 VAL HB 1.0 . 3.3 304 284 A 82 ILE HA A 85 LEU HB3 1.0 . 3.3 305 284 A 82 ILE HA A 85 LEU HB2 1.0 . 3.3 306 285 A 83 ALA HA A 86 TYR HB2 1.0 . 3.3 307 285 A 83 ALA HA A 86 TYR HB3 1.0 . 3.3 308 286 A 84 VAL HA A 87 CYS HB3 1.0 . 3.3 309 286 A 84 VAL HA A 87 CYS HB2 1.0 . 3.3 310 287 A 85 LEU HA A 88 VAL HB 1.0 . 3.3 311 288 A 86 TYR HA A 89 HIS HB3 1.0 . 3.3 312 288 A 86 TYR HA A 89 HIS HB2 1.0 . 3.3 313 289 A 87 CYS HA A 90 GLN HB2 1.0 . 3.3 314 289 A 87 CYS HA A 90 GLN HB3 1.0 . 3.3 315 290 A 91 ARG H A 92 ILE H 1.0 . 2.7 316 291 A 92 ILE HA A 93 ASP H 1.0 . 2.7 317 292 A 93 ASP HA A 94 VAL H 1.0 . 2.7 318 293 A 94 VAL HA A 95 LYS H 1.0 . 2.7 319 294 A 95 LYS H A 96 ASP H 1.0 . 2.7 320 295 A 19 ILE HA A 95 LYS HA 1.0 . 5.0 321 296 A 20 ARG HA A 96 ASP HA 1.0 . 5.0 322 297 A 95 LYS H A 96 ASP H 1.0 . 2.9 323 298 A 97 THR H A 98 LYS H 1.0 . 2.9 324 299 A 94 VAL HA A 95 LYS H 1.0 . 2.7 325 300 A 94 VAL HA A 96 ASP H 1.0 . 5.0 326 301 A 97 THR H A 96 ASP HA 1.0 . 2.7 327 302 A 20 ARG H A 96 ASP HA 1.0 . 2.7 328 303 A 97 THR H A 21 LEU HA 1.0 . 5.0 329 304 A 22 ARG HA A 97 THR H 1.0 . 5.0 330 305 A 23 PRO HD3 A 97 THR H 1.0 . 5.0 331 306 A 20 ARG H A 97 THR H 1.0 . 5.0 332 307 A 20 ARG H A 96 ASP H 1.0 . 5.0 333 308 A 97 THR H A 98 LYS H 1.0 . 2.9 334 309 A 98 LYS H A 99 GLU H 1.0 . 2.9 335 310 A 99 GLU H A 100 ALA H 1.0 . 2.9 336 311 A 100 ALA H A 101 LEU H 1.0 . 2.9 337 312 A 101 LEU H A 102 ASP H 1.0 . 2.9 338 313 A 102 ASP H A 103 LYS H 1.0 . 2.9 339 314 A 103 LYS H A 104 ILE H 1.0 . 2.9 340 315 A 104 ILE H A 105 GLU H 1.0 . 2.9 341 316 A 105 GLU H A 106 GLU H 1.0 . 2.9 342 317 A 106 GLU H A 107 GLU H 1.0 . 2.9 343 318 A 107 GLU H A 108 GLN H 1.0 . 2.9 344 319 A 108 GLN H A 109 ASN H 1.0 . 2.9 345 320 A 109 ASN H A 110 LYS H 1.0 . 2.9 346 321 A 110 LYS H A 111 SER H 1.0 . 2.9 347 322 A 111 SER H A 112 LYS H 1.0 . 2.9 348 323 A 112 LYS H A 113 LYS H 1.0 . 2.9 349 324 A 113 LYS H A 114 LYS H 1.0 . 2.9 350 325 A 114 LYS H A 115 ALA H 1.0 . 2.9 351 326 A 115 ALA H A 116 GLN H 1.0 . 2.9 352 327 A 116 GLN H A 117 GLN H 1.0 . 2.9 353 328 A 117 GLN H A 118 ALA H 1.0 . 2.9 354 329 A 118 ALA H A 119 ALA H 1.0 . 2.9 355 330 A 97 THR H A 99 GLU H 1.0 . 5.0 356 331 A 98 LYS H A 100 ALA H 1.0 . 5.0 357 332 A 99 GLU H A 101 LEU H 1.0 . 5.0 358 333 A 100 ALA H A 102 ASP H 1.0 . 5.0 359 334 A 101 LEU H A 103 LYS H 1.0 . 5.0 360 335 A 102 ASP H A 104 ILE H 1.0 . 5.0 361 336 A 103 LYS H A 105 GLU H 1.0 . 5.0 362 337 A 104 ILE H A 106 GLU H 1.0 . 5.0 363 338 A 105 GLU H A 107 GLU H 1.0 . 5.0 364 339 A 106 GLU H A 108 GLN H 1.0 . 5.0 365 340 A 107 GLU H A 109 ASN H 1.0 . 5.0 366 341 A 108 GLN H A 110 LYS H 1.0 . 5.0 367 342 A 109 ASN H A 111 SER H 1.0 . 5.0 368 343 A 110 LYS H A 112 LYS H 1.0 . 5.0 369 344 A 111 SER H A 113 LYS H 1.0 . 5.0 370 345 A 112 LYS H A 114 LYS H 1.0 . 5.0 371 346 A 113 LYS H A 115 ALA H 1.0 . 5.0 372 347 A 114 LYS H A 116 GLN H 1.0 . 5.0 373 348 A 115 ALA H A 117 GLN H 1.0 . 5.0 374 349 A 116 GLN H A 118 ALA H 1.0 . 5.0 375 350 A 117 GLN H A 119 ALA H 1.0 . 5.0 376 351 A 120 ALA H A 122 THR H 1.0 . 5.0 377 352 A 98 LYS H A 101 LEU H 1.0 . 5.0 378 353 A 99 GLU H A 102 ASP H 1.0 . 5.0 379 354 A 100 ALA H A 103 LYS H 1.0 . 5.0 380 355 A 102 ASP H A 105 GLU H 1.0 . 5.0 381 356 A 103 LYS H A 106 GLU H 1.0 . 5.0 382 357 A 104 ILE H A 107 GLU H 1.0 . 5.0 383 358 A 105 GLU H A 108 GLN H 1.0 . 5.0 384 359 A 106 GLU H A 109 ASN H 1.0 . 5.0 385 360 A 96 ASP H A 100 ALA H 1.0 . 5.0 386 361 A 100 ALA H A 97 THR HA 1.0 . 5.0 387 362 A 101 LEU H A 98 LYS HA 1.0 . 5.0 388 363 A 102 ASP H A 99 GLU HA 1.0 . 5.0 389 364 A 103 LYS H A 100 ALA HA 1.0 . 5.0 390 365 A 104 ILE H A 101 LEU HA 1.0 . 5.0 391 366 A 105 GLU H A 102 ASP HA 1.0 . 5.0 392 367 A 106 GLU H A 103 LYS HA 1.0 . 5.0 393 368 A 107 GLU H A 104 ILE HA 1.0 . 5.0 394 369 A 108 GLN H A 105 GLU HA 1.0 . 5.0 395 370 A 109 ASN H A 106 GLU HA 1.0 . 5.0 396 371 A 102 ASP H A 98 LYS HA 1.0 . 5.0 397 372 A 105 GLU H A 101 LEU HA 1.0 . 5.0 398 373 A 97 THR HA A 100 ALA HB% 1.0 . 3.3 399 374 A 98 LYS HA A 101 LEU HB2 1.0 . 3.3 400 374 A 98 LYS HA A 101 LEU HB3 1.0 . 3.3 401 375 A 99 GLU HA A 102 ASP HB2 1.0 . 3.3 402 375 A 99 GLU HA A 102 ASP HB3 1.0 . 3.3 403 376 A 100 ALA HA A 103 LYS HB2 1.0 . 3.3 404 376 A 100 ALA HA A 103 LYS HB3 1.0 . 3.3 405 377 A 101 LEU HA A 104 ILE HB 1.0 . 3.3 406 378 A 102 ASP HA A 105 GLU HB2 1.0 . 3.3 407 378 A 102 ASP HA A 105 GLU HB3 1.0 . 3.3 408 379 A 103 LYS HA A 106 GLU HB2 1.0 . 3.3 409 379 A 103 LYS HA A 106 GLU HB3 1.0 . 3.3 410 380 A 104 ILE HA A 107 GLU HB2 1.0 . 3.3 411 380 A 104 ILE HA A 107 GLU HB3 1.0 . 3.3 412 381 A 105 GLU HA A 108 GLN HB2 1.0 . 3.3 413 381 A 105 GLU HA A 108 GLN HB3 1.0 . 3.3 414 382 A 106 GLU HA A 109 ASN HB2 1.0 . 3.3 415 382 A 106 GLU HA A 109 ASN HB3 1.0 . 3.3 416 383 A 108 GLN HA A 111 SER HB2 1.0 . 3.3 417 383 A 108 GLN HA A 111 SER HB3 1.0 . 3.3 418 384 A 109 ASN HA A 112 LYS HB2 1.0 . 3.3 419 384 A 109 ASN HA A 112 LYS HB3 1.0 . 3.3 420 385 A 111 SER HA A 114 LYS HB2 1.0 . 3.3 421 385 A 111 SER HA A 114 LYS HB3 1.0 . 3.3 422 386 A 112 LYS HA A 115 ALA HB% 1.0 . 3.3 423 387 A 116 GLN HA A 119 ALA HB% 1.0 . 3.8 424 388 A 117 GLN HA A 120 ALA HB% 1.0 . 3.8 425 389 A 118 ALA HA A 121 ASP HB2 1.0 . 5.0 426 389 A 118 ALA HA A 121 ASP HB3 1.0 . 5.0 427 390 A 119 ALA HA A 122 THR HG2% 1.0 . 5.0 428 391 A 7 VAL H A 7 VAL HB 1.0 . 2.7 429 392 A 7 VAL H A 8 LEU H 1.0 . 2.7 430 393 A 7 VAL HB A 8 LEU H 1.0 . 2.7 431 394 A 7 VAL HB A 34 ILE HG2% 1.0 . 3.3 432 395 A 7 VAL HB A 34 ILE HD1% 1.0 . 5.0 433 396 A 34 ILE HG2% A 7 VAL HG2% 1.0 . 3.3 434 397 A 34 ILE HG2% A 7 VAL HG1% 1.0 . 3.3 435 398 A 7 VAL HG1% A 51 LEU HD1% 1.0 . 5.0 436 399 A 7 VAL HG2% A 51 LEU HD1% 1.0 . 5.0 437 400 A 52 GLU HA A 7 VAL HA 1.0 . 2.7 438 401 A 7 VAL HG1% A 85 LEU HD2% 1.0 . 3.3 439 402 A 7 VAL HG1% A 85 LEU HD1% 1.0 . 5.0 440 403 A 7 VAL HG1% A 89 HIS HE1 1.0 . 3.3 441 404 A 8 LEU HA A 8 LEU HD2% 1.0 . 2.7 442 405 A 8 LEU H A 8 LEU HG 1.0 . 3.3 443 406 A 8 LEU HA A 9 SER H 1.0 . 2.7 444 407 A 8 LEU HD2% A 9 SER H 1.0 . 5.0 445 408 A 8 LEU HD1% A 12 GLU HB3 1.0 . 5.0 446 408 A 8 LEU HD1% A 12 GLU HB2 1.0 . 5.0 447 409 A 8 LEU HD2% A 12 GLU HB3 1.0 . 5.0 448 409 A 8 LEU HD2% A 12 GLU HB2 1.0 . 5.0 449 410 A 13 LEU H A 8 LEU HB3 1.0 . 3.3 450 411 A 13 LEU H A 8 LEU HD1% 1.0 . 5.0 451 412 A 13 LEU HA A 8 LEU HD1% 1.0 . 2.7 452 413 A 8 LEU HB2 A 13 LEU HD1% 1.0 . 5.0 453 413 A 8 LEU HB3 A 13 LEU HD1% 1.0 . 5.0 454 413 A 13 LEU HD2% A 8 LEU HB3 1.0 . 5.0 455 413 A 8 LEU HB2 A 13 LEU HD2% 1.0 . 5.0 456 414 A 16 TRP H A 8 LEU HD1% 1.0 . 5.0 457 415 A 8 LEU HD1% A 16 TRP HD1 1.0 . 5.0 458 416 A 16 TRP HB2 A 8 LEU HD1% 1.0 . 2.7 459 417 A 16 TRP HB3 A 8 LEU HD1% 1.0 . 2.7 460 418 A 8 LEU H A 34 ILE HD1% 1.0 . 5.0 461 419 A 34 ILE HD1% A 8 LEU HG 1.0 . 3.3 462 420 A 34 ILE HD1% A 8 LEU HD1% 1.0 . 3.3 463 421 A 85 LEU HD1% A 8 LEU HD2% 1.0 . 5.0 464 422 A 85 LEU HD2% A 8 LEU HD2% 1.0 . 5.0 465 423 A 8 LEU HD2% A 88 VAL HG1% 1.0 . 5.0 466 424 A 89 HIS HE1 A 8 LEU HD2% 1.0 . 2.7 467 425 A 89 HIS HE1 A 8 LEU HG 1.0 . 5.0 468 426 A 8 LEU H A 89 HIS HE1 1.0 . 5.0 469 427 A 9 SER HA A 9 SER HB2 1.0 . 2.7 470 428 A 9 SER HA A 9 SER HB3 1.0 . 2.7 471 429 A 9 SER H A 9 SER HB3 1.0 . 3.3 472 430 A 10 GLY H A 9 SER HB2 1.0 . 3.3 473 431 A 9 SER H A 12 GLU HB2 1.0 . 2.7 474 432 A 9 SER H A 12 GLU HG3 1.0 . 2.7 475 433 A 12 GLU H A 9 SER H 1.0 . 5.0 476 434 A 13 LEU H A 9 SER H 1.0 . 5.0 477 435 A 12 GLU H A 9 SER HB2 1.0 . 5.0 478 436 A 12 GLU H A 9 SER HB3 1.0 . 5.0 479 437 A 89 HIS HE1 A 9 SER H 1.0 . 5.0 480 438 A 10 GLY H A 13 LEU HD1% 1.0 . 5.5 481 438 A 10 GLY H A 13 LEU HD2% 1.0 . 5.5 482 439 A 10 GLY H A 13 LEU HB2 1.0 . 5.5 483 440 A 10 GLY H A 13 LEU HB3 1.0 . 5.5 484 441 A 12 GLU H A 12 GLU HB2 1.0 . 2.7 485 442 A 12 GLU H A 12 GLU HG3 1.0 . 2.7 486 443 A 12 GLU HA A 88 VAL HG1% 1.0 . 3.3 487 444 A 14 ASP H A 13 LEU HG 1.0 . 5.0 488 445 A 13 LEU HA A 16 TRP HD1 1.0 . 5.0 489 446 A 16 TRP HD1 A 13 LEU HD1% 1.0 . 3.3 490 446 A 13 LEU HD2% A 16 TRP HD1 1.0 . 3.3 491 447 A 17 GLU H A 13 LEU HD1% 1.0 . 5.0 492 447 A 17 GLU H A 13 LEU HD2% 1.0 . 5.0 493 448 A 34 ILE HD1% A 13 LEU HD1% 1.0 . 5.0 494 448 A 34 ILE HD1% A 13 LEU HD2% 1.0 . 5.0 495 449 A 16 TRP HB3 A 16 TRP HD1 1.0 . 3.3 496 450 A 16 TRP HA A 16 TRP HE3 1.0 . 3.3 497 451 A 16 TRP HB2 A 16 TRP HE3 1.0 . 3.3 498 452 A 17 GLU H A 16 TRP HB3 1.0 . 2.7 499 453 A 17 GLU HA A 16 TRP HD1 1.0 . 5.0 500 454 A 16 TRP HD1 A 17 GLU HG2 1.0 . 3.3 501 455 A 16 TRP HD1 A 17 GLU HG3 1.0 . 3.3 502 456 A 16 TRP HA A 19 ILE HD1% 1.0 . 3.3 503 457 A 16 TRP HE3 A 19 ILE HD1% 1.0 . 5.0 504 458 A 30 LYS H A 16 TRP HD1 1.0 . 5.0 505 459 A 30 LYS H A 16 TRP HE1 1.0 . 5.0 506 460 A 30 LYS HA A 16 TRP HE1 1.0 . 5.0 507 461 A 30 LYS HA A 16 TRP HD1 1.0 . 3.3 508 462 A 31 LEU H A 16 TRP HE1 1.0 . 5.0 509 463 A 31 LEU HA A 16 TRP HE1 1.0 . 3.3 510 464 A 34 ILE H A 16 TRP HZ2 1.0 . 3.3 511 465 A 34 ILE HD1% A 16 TRP HE1 1.0 . 3.3 512 466 A 34 ILE HD1% A 16 TRP HD1 1.0 . 5.0 513 467 A 34 ILE HD1% A 16 TRP HZ2 1.0 . 5.0 514 468 A 16 TRP HE1 A 34 ILE HG13 1.0 . 3.3 515 469 A 16 TRP HE1 A 34 ILE HG12 1.0 . 5.0 516 470 A 34 ILE H A 16 TRP HE1 1.0 . 5.0 517 471 A 16 TRP HH2 A 81 THR HG2% 1.0 . 2.7 518 472 A 81 THR HA A 16 TRP HH2 1.0 . 5.0 519 473 A 16 TRP HZ3 A 84 VAL HG1% 1.0 . 2.7 520 474 A 84 VAL HB A 16 TRP HZ3 1.0 . 2.7 521 475 A 85 LEU HA A 16 TRP HE3 1.0 . 5.0 522 476 A 85 LEU HA A 16 TRP HZ3 1.0 . 3.3 523 477 A 85 LEU HD1% A 16 TRP HZ3 1.0 . 3.3 524 478 A 16 TRP H A 88 VAL HG1% 1.0 . 5.0 525 479 A 16 TRP H A 88 VAL HG2% 1.0 . 5.0 526 480 A 16 TRP HA A 88 VAL HG1% 1.0 . 5.0 527 481 A 16 TRP HA A 88 VAL HG2% 1.0 . 5.0 528 482 A 16 TRP HE3 A 88 VAL HG2% 1.0 . 3.3 529 483 A 88 VAL HG1% A 16 TRP HE3 1.0 . 5.0 530 484 A 18 LYS H A 17 GLU HB2 1.0 . 3.3 531 484 A 18 LYS H A 17 GLU HB3 1.0 . 3.3 532 485 A 17 GLU HA A 29 TYR HB2 1.0 . 5.0 533 486 A 17 GLU HA A 29 TYR HB3 1.0 . 5.0 534 487 A 18 LYS HA A 28 GLN HB3 1.0 . 5.0 535 488 A 18 LYS HA A 28 GLN HG2 1.0 . 5.0 536 489 A 19 ILE H A 28 GLN HB2 1.0 . 5.0 537 489 A 19 ILE H A 28 GLN HB3 1.0 . 5.0 538 490 A 19 ILE H A 29 TYR HD2 1.0 . 5.0 539 491 A 29 TYR HD2 A 19 ILE HB 1.0 . 2.7 540 492 A 29 TYR HD2 A 19 ILE HG2% 1.0 . 2.7 541 493 A 19 ILE HG2% A 29 TYR HE2 1.0 . 3.3 542 494 A 19 ILE HG2% A 84 VAL HG2% 1.0 . 5.0 543 495 A 84 VAL HG1% A 19 ILE HG2% 1.0 . 5.0 544 496 A 19 ILE HD1% A 84 VAL HG1% 1.0 . 3.3 545 497 A 19 ILE HG12 A 94 VAL HG2% 1.0 . 3.3 546 498 A 19 ILE HD1% A 94 VAL HG2% 1.0 . 5.0 547 498 A 19 ILE HD1% A 94 VAL HG1% 1.0 . 5.0 548 499 A 96 ASP HA A 19 ILE HG2% 1.0 . 2.7 549 500 A 96 ASP H A 19 ILE HG2% 1.0 . 5.0 550 501 A 97 THR H A 19 ILE HG2% 1.0 . 5.0 551 502 A 22 ARG H A 20 ARG HB2 1.0 . 3.3 552 502 A 22 ARG H A 20 ARG HB3 1.0 . 3.3 553 503 A 21 LEU HA A 21 LEU HD2% 1.0 . 2.7 554 504 A 21 LEU H A 21 LEU HG 1.0 . 2.7 555 505 A 28 GLN HA A 21 LEU HG 1.0 . 5.0 556 506 A 21 LEU HD2% A 29 TYR HE1 1.0 . 3.3 557 506 A 29 TYR HE2 A 21 LEU HD2% 1.0 . 3.3 558 507 A 21 LEU HD2% A 29 TYR HD1 1.0 . 3.3 559 507 A 29 TYR HD2 A 21 LEU HD2% 1.0 . 3.3 560 508 A 29 TYR HA A 21 LEU HD2% 1.0 . 3.3 561 509 A 29 TYR H A 21 LEU HD2% 1.0 . 5.0 562 510 A 21 LEU HD2% A 33 HIS HE1 1.0 . 5.0 563 511 A 33 HIS HE1 A 21 LEU HD1% 1.0 . 5.0 564 512 A 97 THR H A 21 LEU HA 1.0 . 5.0 565 513 A 22 ARG H A 96 ASP HB2 1.0 . 5.0 566 514 A 22 ARG H A 96 ASP HB3 1.0 . 5.0 567 515 A 22 ARG H A 97 THR H 1.0 . 5.0 568 516 A 22 ARG HA A 97 THR H 1.0 . 5.0 569 517 A 22 ARG HA A 97 THR HB 1.0 . 5.0 570 518 A 22 ARG HA A 98 LYS H 1.0 . 5.0 571 519 A 24 GLY H A 23 PRO HB2 1.0 . 3.3 572 520 A 23 PRO HD2 A 24 GLY H 1.0 . 5.0 573 521 A 23 PRO HA A 96 ASP HB2 1.0 . 3.3 574 522 A 23 PRO HA A 96 ASP HB3 1.0 . 3.3 575 523 A 23 PRO HA A 96 ASP HB2 1.0 . 3.3 576 524 A 23 PRO HA A 96 ASP HB3 1.0 . 3.3 577 525 A 23 PRO HA A 97 THR H 1.0 . 5.0 578 526 A 23 PRO HD3 A 97 THR HB 1.0 . 5.0 579 527 A 23 PRO HA A 98 LYS H 1.0 . 5.0 580 528 A 26 LYS H A 26 LYS HB2 1.0 . 2.7 581 528 A 26 LYS H A 26 LYS HB3 1.0 . 2.7 582 529 A 27 LYS H A 27 LYS HB2 1.0 . 2.7 583 529 A 27 LYS H A 27 LYS HB3 1.0 . 2.7 584 530 A 29 TYR H A 29 TYR HD2 1.0 . 3.3 585 531 A 33 HIS HE1 A 29 TYR HD1 1.0 . 5.0 586 532 A 29 TYR HA A 33 HIS HE1 1.0 . 3.3 587 533 A 29 TYR HD1 A 33 HIS HB2 1.0 . 2.7 588 533 A 29 TYR HD1 A 33 HIS HB3 1.0 . 2.7 589 534 A 29 TYR HA A 33 HIS HB2 1.0 . 5.0 590 534 A 29 TYR HA A 33 HIS HB3 1.0 . 5.0 591 535 A 81 THR HA A 29 TYR HE1 1.0 . 3.3 592 536 A 81 THR HG2% A 29 TYR HE1 1.0 . 3.3 593 537 A 81 THR HG2% A 29 TYR HD1 1.0 . 5.0 594 538 A 84 VAL HG1% A 29 TYR HE2 1.0 . 5.0 595 539 A 29 TYR HE2 A 84 VAL HG2% 1.0 . 5.0 596 540 A 84 VAL HB A 29 TYR HE2 1.0 . 5.0 597 541 A 84 VAL HB A 29 TYR HD2 1.0 . 5.0 598 542 A 97 THR H A 29 TYR HE2 1.0 . 5.0 599 543 A 97 THR HA A 29 TYR HE2 1.0 . 5.0 600 544 A 29 TYR HE2 A 97 THR HG2% 1.0 . 5.0 601 545 A 30 LYS H A 33 HIS HE1 1.0 . 2.7 602 546 A 33 HIS HE1 A 30 LYS HB2 1.0 . 3.3 603 546 A 33 HIS HE1 A 30 LYS HB3 1.0 . 3.3 604 547 A 31 LEU HA A 31 LEU HD1% 1.0 . 2.7 605 547 A 31 LEU HA A 31 LEU HD2% 1.0 . 2.7 606 548 A 31 LEU H A 31 LEU HD1% 1.0 . 3.3 607 548 A 31 LEU H A 31 LEU HD2% 1.0 . 3.3 608 549 A 31 LEU HA A 34 ILE HD1% 1.0 . 3.3 609 550 A 34 ILE HD1% A 31 LEU HD1% 1.0 . 5.0 610 550 A 34 ILE HD1% A 31 LEU HD2% 1.0 . 5.0 611 551 A 33 HIS H A 33 HIS HD2 1.0 . 5.0 612 552 A 33 HIS HA A 33 HIS HD2 1.0 . 2.9 613 553 A 33 HIS HA A 36 TRP HE3 1.0 . 5.0 614 554 A 34 ILE H A 34 ILE HB 1.0 . 2.7 615 555 A 35 VAL H A 34 ILE HB 1.0 . 2.7 616 556 A 34 ILE HG2% A 35 VAL HG2% 1.0 . 5.0 617 557 A 34 ILE HA A 81 THR HG2% 1.0 . 5.0 618 558 A 34 ILE HD1% A 85 LEU HD1% 1.0 . 5.0 619 559 A 34 ILE HG2% A 85 LEU HD1% 1.0 . 5.0 620 560 A 35 VAL HA A 35 VAL HG1% 1.0 . 2.7 621 561 A 35 VAL HA A 35 VAL HG2% 1.0 . 2.7 622 562 A 35 VAL H A 35 VAL HG2% 1.0 . 2.7 623 563 A 35 VAL H A 35 VAL HB 1.0 . 2.7 624 564 A 36 TRP H A 35 VAL HB 1.0 . 2.7 625 565 A 37 ALA H A 36 TRP HE3 1.0 . 3.3 626 566 A 74 GLU HA A 36 TRP HZ2 1.0 . 5.0 627 567 A 36 TRP HZ2 A 74 GLU HG2 1.0 . 5.0 628 567 A 36 TRP HZ2 A 74 GLU HG3 1.0 . 5.0 629 568 A 78 LEU H A 36 TRP HH2 1.0 . 3.3 630 569 A 78 LEU HA A 36 TRP HZ3 1.0 . 2.7 631 570 A 36 TRP HZ3 A 78 LEU HD1% 1.0 . 5.0 632 571 A 81 THR H A 36 TRP HZ3 1.0 . 5.0 633 572 A 38 SER H A 37 ALA HB% 1.0 . 3.3 634 573 A 37 ALA HA A 78 LEU HD1% 1.0 . 2.7 635 574 A 37 ALA HB% A 78 LEU HD1% 1.0 . 3.3 636 575 A 37 ALA HB% A 81 THR HG2% 1.0 . 3.3 637 576 A 37 ALA HB% A 81 THR HB 1.0 . 5.0 638 577 A 38 SER HA A 51 LEU HD1% 1.0 . 2.7 639 578 A 38 SER H A 51 LEU HD1% 1.0 . 3.3 640 579 A 78 LEU HD1% A 40 GLU HB3 1.0 . 3.3 641 579 A 78 LEU HD1% A 40 GLU HB2 1.0 . 3.3 642 580 A 41 LEU HA A 46 VAL HB 1.0 . 3.3 643 581 A 46 VAL HB A 41 LEU HD2% 1.0 . 2.7 644 582 A 41 LEU HA A 46 VAL HG2% 1.0 . 5.0 645 583 A 48 PRO HA A 41 LEU HD1% 1.0 . 2.7 646 584 A 41 LEU HD1% A 48 PRO HB3 1.0 . 5.0 647 585 A 41 LEU HD1% A 51 LEU HG 1.0 . 2.7 648 586 A 41 LEU HD1% A 51 LEU HD2% 1.0 . 3.3 649 587 A 41 LEU HD1% A 60 ILE HD1% 1.0 . 3.3 650 588 A 41 LEU HD1% A 60 ILE HG2% 1.0 . 5.0 651 589 A 41 LEU HD2% A 64 LEU HD1% 1.0 . 5.0 652 590 A 41 LEU H A 78 LEU HD1% 1.0 . 5.0 653 591 A 78 LEU HD1% A 41 LEU HD2% 1.0 . 5.0 654 592 A 41 LEU HD2% A 78 LEU HD2% 1.0 . 5.0 655 593 A 42 GLU H A 48 PRO HB3 1.0 . 5.0 656 594 A 42 GLU H A 48 PRO HG3 1.0 . 5.0 657 595 A 42 GLU H A 48 PRO HD3 1.0 . 5.0 658 596 A 44 PHE H A 44 PHE HB2 1.0 . 2.7 659 597 A 46 VAL HG2% A 44 PHE HB3 1.0 . 5.0 660 598 A 44 PHE HB2 A 46 VAL HG2% 1.0 . 5.0 661 599 A 75 LEU HA A 44 PHE HZ 1.0 . 5.0 662 600 A 44 PHE HZ A 75 LEU HD1% 1.0 . 5.0 663 601 A 46 VAL H A 46 VAL HB 1.0 . 2.7 664 602 A 46 VAL HA A 46 VAL HG1% 1.0 . 2.7 665 603 A 46 VAL HA A 46 VAL HG2% 1.0 . 2.7 666 604 A 46 VAL H A 46 VAL HG2% 1.0 . 2.7 667 605 A 47 ASN H A 46 VAL HG1% 1.0 . 2.7 668 606 A 46 VAL HG2% A 50 LEU HD1% 1.0 . 3.3 669 607 A 60 ILE HA A 46 VAL HG1% 1.0 . 5.0 670 608 A 60 ILE HG2% A 46 VAL HG1% 1.0 . 5.0 671 609 A 46 VAL HG2% A 63 GLN HB2 1.0 . 5.0 672 609 A 63 GLN HB3 A 46 VAL HG2% 1.0 . 5.0 673 610 A 47 ASN HA A 49 GLY H 1.0 . 5.0 674 611 A 49 GLY H A 47 ASN HB2 1.0 . 5.0 675 611 A 49 GLY H A 47 ASN HB3 1.0 . 5.0 676 612 A 50 LEU HD1% A 47 ASN HB2 1.0 . 5.0 677 612 A 50 LEU HD1% A 47 ASN HB3 1.0 . 5.0 678 613 A 47 ASN H A 50 LEU HD1% 1.0 . 5.0 679 614 A 50 LEU H A 47 ASN HB2 1.0 . 5.0 680 614 A 50 LEU H A 47 ASN HB3 1.0 . 5.0 681 615 A 48 PRO HD2 A 49 GLY H 1.0 . 2.9 682 616 A 50 LEU H A 50 LEU HG 1.0 . 2.7 683 617 A 50 LEU HA A 50 LEU HG 1.0 . 3.3 684 618 A 50 LEU HA A 50 LEU HD2% 1.0 . 2.7 685 619 A 50 LEU H A 50 LEU HB2 1.0 . 2.7 686 620 A 50 LEU HA A 56 GLY HA3 1.0 . 3.3 687 621 A 50 LEU HD2% A 56 GLY HA3 1.0 . 3.3 688 622 A 56 GLY HA2 A 50 LEU HD2% 1.0 . 3.3 689 623 A 51 LEU HD2% A 51 LEU HA 1.0 . 2.7 690 624 A 51 LEU H A 51 LEU HG 1.0 . 2.7 691 625 A 51 LEU HG A 51 LEU HA 1.0 . 3.3 692 626 A 57 CYS HA A 51 LEU HD2% 1.0 . 5.0 693 627 A 57 CYS HA A 51 LEU HA 1.0 . 5.0 694 628 A 60 ILE HD1% A 51 LEU HA 1.0 . 3.3 695 629 A 51 LEU HG A 60 ILE HD1% 1.0 . 5.0 696 630 A 51 LEU HD2% A 60 ILE HD1% 1.0 . 3.3 697 631 A 85 LEU HD2% A 51 LEU HD2% 1.0 . 3.3 698 632 A 51 LEU HD1% A 85 LEU HD2% 1.0 . 5.0 699 633 A 53 THR HG2% A 52 GLU HG2 1.0 . 3.3 700 633 A 52 GLU HG3 A 53 THR HG2% 1.0 . 3.3 701 634 A 53 THR H A 53 THR HG2% 1.0 . 2.7 702 635 A 56 GLY H A 53 THR HG2% 1.0 . 5.0 703 636 A 53 THR HA A 89 HIS HD2 1.0 . 5.0 704 637 A 54 SER HA A 86 TYR HD2 1.0 . 3.3 705 638 A 54 SER HA A 86 TYR HE2 1.0 . 5.0 706 639 A 86 TYR HD2 A 54 SER HB2 1.0 . 5.0 707 639 A 86 TYR HD2 A 54 SER HB3 1.0 . 5.0 708 640 A 86 TYR HE2 A 54 SER HB2 1.0 . 5.0 709 640 A 86 TYR HE2 A 54 SER HB3 1.0 . 5.0 710 641 A 54 SER HA A 89 HIS HB2 1.0 . 3.3 711 642 A 54 SER HA A 89 HIS HB3 1.0 . 5.0 712 643 A 54 SER HA A 89 HIS HD2 1.0 . 3.3 713 644 A 54 SER H A 89 HIS HD2 1.0 . 5.0 714 645 A 54 SER H A 89 HIS HB3 1.0 . 3.3 715 646 A 86 TYR HD2 A 57 CYS HB2 1.0 . 2.7 716 647 A 86 TYR H A 57 CYS HB3 1.0 . 5.0 717 648 A 89 HIS HD2 A 57 CYS HB2 1.0 . 5.0 718 649 A 58 ARG H A 86 TYR HD2 1.0 . 3.3 719 650 A 58 ARG H A 86 TYR HE2 1.0 . 5.0 720 651 A 58 ARG HA A 86 TYR HD2 1.0 . 5.0 721 652 A 58 ARG HA A 86 TYR HE2 1.0 . 5.0 722 653 A 60 ILE H A 60 ILE HD1% 1.0 . 5.0 723 654 A 60 ILE H A 60 ILE HB 1.0 . 2.7 724 655 A 61 LEU H A 60 ILE HG2% 1.0 . 5.0 725 656 A 61 LEU H A 60 ILE HB 1.0 . 2.7 726 657 A 60 ILE HG2% A 64 LEU HD1% 1.0 . 3.3 727 658 A 60 ILE HG2% A 64 LEU HG 1.0 . 3.3 728 659 A 61 LEU HA A 61 LEU HD2% 1.0 . 2.7 729 660 A 61 LEU H A 61 LEU HG 1.0 . 2.7 730 661 A 62 GLY H A 61 LEU HB2 1.0 . 3.3 731 662 A 61 LEU HA A 64 LEU HD1% 1.0 . 3.3 732 663 A 61 LEU HA A 79 TYR HE1 1.0 . 3.3 733 664 A 61 LEU HA A 79 TYR HD1 1.0 . 3.3 734 665 A 61 LEU HD2% A 79 TYR HE1 1.0 . 5.0 735 666 A 61 LEU HD2% A 79 TYR HD1 1.0 . 5.0 736 667 A 79 TYR HA A 61 LEU HD2% 1.0 . 5.0 737 668 A 61 LEU HD2% A 82 ILE HG2% 1.0 . 3.3 738 669 A 82 ILE HB A 61 LEU HD2% 1.0 . 3.3 739 670 A 61 LEU H A 82 ILE HG2% 1.0 . 5.0 740 671 A 83 ALA HA A 61 LEU HD2% 1.0 . 5.0 741 672 A 83 ALA HA A 61 LEU HD1% 1.0 . 3.3 742 673 A 83 ALA H A 61 LEU HD2% 1.0 . 3.3 743 674 A 83 ALA HB% A 61 LEU HD2% 1.0 . 5.0 744 675 A 83 ALA HB% A 61 LEU HD1% 1.0 . 5.0 745 676 A 61 LEU HD1% A 86 TYR HB2 1.0 . 5.0 746 677 A 86 TYR HB3 A 61 LEU HD1% 1.0 . 5.0 747 678 A 61 LEU HD1% A 104 ILE HD1% 1.0 . 5.0 748 679 A 64 LEU HA A 64 LEU HG 1.0 . 3.3 749 680 A 64 LEU HA A 64 LEU HD2% 1.0 . 2.7 750 681 A 64 LEU HA A 75 LEU HD1% 1.0 . 5.0 751 682 A 75 LEU HD1% A 64 LEU HD2% 1.0 . 5.0 752 683 A 64 LEU HD1% A 78 LEU HD2% 1.0 . 5.0 753 684 A 78 LEU HD2% A 64 LEU HD2% 1.0 . 5.0 754 685 A 64 LEU HD1% A 78 LEU HG 1.0 . 3.3 755 686 A 79 TYR H A 64 LEU HD1% 1.0 . 5.0 756 687 A 79 TYR HA A 64 LEU HD1% 1.0 . 3.3 757 688 A 64 LEU HD1% A 79 TYR HD1 1.0 . 3.3 758 689 A 64 LEU HD1% A 82 ILE HD1% 1.0 . 3.3 759 690 A 65 GLN H A 66 PRO HD2 1.0 . 3.3 760 691 A 65 GLN H A 66 PRO HD3 1.0 . 3.3 761 692 A 79 TYR HE1 A 65 GLN HG2 1.0 . 5.0 762 692 A 79 TYR HE1 A 65 GLN HG3 1.0 . 5.0 763 693 A 79 TYR HE1 A 65 GLN HB2 1.0 . 5.0 764 693 A 79 TYR HE1 A 65 GLN HB3 1.0 . 5.0 765 694 A 65 GLN H A 79 TYR HE1 1.0 . 5.0 766 695 A 65 GLN H A 79 TYR HD1 1.0 . 5.0 767 696 A 65 GLN HA A 79 TYR HE1 1.0 . 3.3 768 697 A 65 GLN HA A 79 TYR HD1 1.0 . 5.0 769 698 A 67 SER H A 66 PRO HD2 1.0 . 3.3 770 699 A 75 LEU HD1% A 67 SER HB2 1.0 . 5.0 771 699 A 75 LEU HD1% A 67 SER HB3 1.0 . 5.0 772 700 A 75 LEU HD2% A 67 SER HB2 1.0 . 5.0 773 700 A 67 SER HB3 A 75 LEU HD2% 1.0 . 5.0 774 701 A 68 LEU H A 68 LEU HG 1.0 . 3.3 775 702 A 68 LEU H A 68 LEU HB2 1.0 . 2.7 776 703 A 68 LEU HA A 68 LEU HD2% 1.0 . 2.7 777 704 A 69 GLN H A 68 LEU HB2 1.0 . 3.3 778 705 A 68 LEU HA A 75 LEU HD2% 1.0 . 2.7 779 706 A 75 LEU HD2% A 68 LEU HD2% 1.0 . 3.3 780 707 A 76 ARG HA A 68 LEU HD2% 1.0 . 3.3 781 708 A 68 LEU HD2% A 76 ARG HG2 1.0 . 3.3 782 708 A 68 LEU HD2% A 76 ARG HG3 1.0 . 3.3 783 709 A 79 TYR HD1 A 68 LEU HG 1.0 . 5.0 784 710 A 79 TYR HE1 A 68 LEU HG 1.0 . 5.0 785 711 A 79 TYR HE1 A 68 LEU HD1% 1.0 . 2.7 786 711 A 68 LEU HD1% A 79 TYR HE2 1.0 . 2.7 787 712 A 79 TYR HD1 A 68 LEU HD2% 1.0 . 2.7 788 712 A 68 LEU HD2% A 79 TYR HD2 1.0 . 2.7 789 713 A 68 LEU HD2% A 79 TYR HB2 1.0 . 3.3 790 714 A 79 TYR HB3 A 68 LEU HD2% 1.0 . 3.3 791 715 A 70 THR H A 69 GLN HB3 1.0 . 2.7 792 716 A 71 GLY HA3 A 75 LEU HD2% 1.0 . 3.3 793 717 A 71 GLY HA2 A 75 LEU HD2% 1.0 . 5.0 794 718 A 72 SER H A 72 SER HB3 1.0 . 3.3 795 719 A 73 GLU H A 72 SER HB2 1.0 . 2.7 796 720 A 72 SER H A 75 LEU HD2% 1.0 . 5.0 797 721 A 72 SER H A 75 LEU HB2 1.0 . 5.0 798 721 A 72 SER H A 75 LEU HB3 1.0 . 5.0 799 722 A 75 LEU H A 75 LEU HB2 1.0 . 2.7 800 722 A 75 LEU H A 75 LEU HB3 1.0 . 2.7 801 723 A 79 TYR H A 75 LEU HG 1.0 . 5.0 802 724 A 78 LEU HA A 78 LEU HD1% 1.0 . 2.7 803 725 A 79 TYR H A 78 LEU HB2 1.0 . 2.7 804 726 A 79 TYR H A 78 LEU HB3 1.0 . 2.7 805 727 A 78 LEU HG A 82 ILE HD1% 1.0 . 3.3 806 728 A 78 LEU HD1% A 82 ILE HD1% 1.0 . 3.3 807 729 A 83 ALA HB% A 79 TYR HD2 1.0 . 5.0 808 730 A 83 ALA HB% A 79 TYR HE2 1.0 . 5.0 809 731 A 79 TYR HE2 A 101 LEU HD2% 1.0 . 3.3 810 732 A 79 TYR HD2 A 101 LEU HD2% 1.0 . 3.3 811 733 A 80 ASN HA A 97 THR HG2% 1.0 . 5.0 812 734 A 97 THR HG2% A 80 ASN HB2 1.0 . 3.3 813 734 A 80 ASN HB3 A 97 THR HG2% 1.0 . 3.3 814 735 A 80 ASN HA A 101 LEU HD2% 1.0 . 3.3 815 736 A 81 THR HA A 81 THR HG2% 1.0 . 2.7 816 737 A 81 THR H A 81 THR HB 1.0 . 2.7 817 738 A 82 ILE H A 81 THR HB 1.0 . 2.7 818 739 A 82 ILE HA A 82 ILE HG2% 1.0 . 2.7 819 740 A 82 ILE H A 82 ILE HB 1.0 . 2.7 820 741 A 83 ALA H A 82 ILE HB 1.0 . 3.3 821 742 A 83 ALA HB% A 100 ALA HB% 1.0 . 5.0 822 743 A 83 ALA HB% A 101 LEU HA 1.0 . 5.0 823 744 A 83 ALA HB% A 101 LEU HD2% 1.0 . 2.7 824 745 A 83 ALA HA A 104 ILE HD1% 1.0 . 2.7 825 746 A 83 ALA HB% A 104 ILE HD1% 1.0 . 3.3 826 747 A 84 VAL H A 84 VAL HB 1.0 . 2.7 827 748 A 84 VAL H A 84 VAL HG2% 1.0 . 3.3 828 749 A 84 VAL HA A 84 VAL HG2% 1.0 . 2.7 829 750 A 84 VAL HA A 84 VAL HG1% 1.0 . 2.7 830 751 A 85 LEU H A 84 VAL HB 1.0 . 2.7 831 752 A 84 VAL HG1% A 88 VAL HG2% 1.0 . 5.0 832 753 A 84 VAL HG1% A 94 VAL HG2% 1.0 . 5.0 833 754 A 84 VAL HA A 94 VAL HG2% 1.0 . 5.0 834 755 A 97 THR HA A 84 VAL HG2% 1.0 . 2.7 835 756 A 100 ALA HB% A 84 VAL HG2% 1.0 . 3.3 836 757 A 84 VAL H A 100 ALA HB% 1.0 . 5.0 837 758 A 84 VAL HA A 100 ALA HB% 1.0 . 2.7 838 759 A 85 LEU HA A 85 LEU HD1% 1.0 . 3.3 839 760 A 85 LEU H A 85 LEU HB2 1.0 . 2.7 840 761 A 86 TYR H A 85 LEU HB3 1.0 . 3.3 841 762 A 85 LEU HA A 88 VAL HB 1.0 . 3.3 842 763 A 88 VAL HG1% A 85 LEU HG 1.0 . 5.0 843 764 A 89 HIS HD2 A 85 LEU HG 1.0 . 5.0 844 765 A 85 LEU HD2% A 89 HIS HD2 1.0 . 5.0 845 766 A 85 LEU HD2% A 89 HIS HE1 1.0 . 5.0 846 767 A 86 TYR H A 86 TYR HB2 1.0 . 2.7 847 768 A 86 TYR H A 86 TYR HB3 1.0 . 2.7 848 769 A 87 CYS H A 86 TYR HB3 1.0 . 2.7 849 770 A 87 CYS H A 86 TYR HD1 1.0 . 3.3 850 771 A 86 TYR HA A 89 HIS HD2 1.0 . 3.3 851 772 A 90 GLN H A 86 TYR HD1 1.0 . 5.0 852 772 A 90 GLN H A 86 TYR HD2 1.0 . 5.0 853 773 A 104 ILE HD1% A 86 TYR HD1 1.0 . 2.7 854 774 A 92 ILE HB A 87 CYS HB3 1.0 . 2.7 855 775 A 87 CYS HA A 92 ILE HB 1.0 . 2.7 856 776 A 92 ILE H A 87 CYS HB3 1.0 . 5.0 857 777 A 92 ILE H A 87 CYS HA 1.0 . 5.0 858 778 A 92 ILE HD1% A 87 CYS HB3 1.0 . 5.0 859 779 A 87 CYS HA A 92 ILE HD1% 1.0 . 3.3 860 780 A 92 ILE HG2% A 87 CYS HB3 1.0 . 5.0 861 781 A 94 VAL HG1% A 87 CYS HB3 1.0 . 3.3 862 782 A 87 CYS HB2 A 100 ALA HB% 1.0 . 5.0 863 783 A 87 CYS HA A 104 ILE HD1% 1.0 . 5.0 864 784 A 87 CYS H A 104 ILE HD1% 1.0 . 5.0 865 785 A 88 VAL HA A 88 VAL HG1% 1.0 . 2.7 866 786 A 88 VAL HA A 88 VAL HG2% 1.0 . 2.7 867 787 A 88 VAL H A 88 VAL HG2% 1.0 . 2.7 868 788 A 88 VAL H A 88 VAL HB 1.0 . 2.7 869 789 A 89 HIS H A 88 VAL HB 1.0 . 2.7 870 790 A 89 HIS HB2 A 89 HIS HD2 1.0 . 3.3 871 791 A 90 GLN HB3 A 92 ILE HD1% 1.0 . 3.3 872 792 A 92 ILE H A 92 ILE HB 1.0 . 2.7 873 793 A 92 ILE H A 92 ILE HD1% 1.0 . 5.0 874 794 A 93 ASP H A 92 ILE HG2% 1.0 . 2.7 875 795 A 92 ILE HG2% A 94 VAL HG2% 1.0 . 5.0 876 795 A 94 VAL HG1% A 92 ILE HG2% 1.0 . 5.0 877 796 A 92 ILE HG2% A 103 LYS HB2 1.0 . 5.0 878 796 A 103 LYS HB3 A 92 ILE HG2% 1.0 . 5.0 879 797 A 94 VAL H A 94 VAL HG1% 1.0 . 3.3 880 798 A 94 VAL H A 94 VAL HG2% 1.0 . 3.3 881 799 A 94 VAL HA A 94 VAL HB 1.0 . 2.7 882 800 A 95 LYS H A 94 VAL HB 1.0 . 3.3 883 801 A 96 ASP H A 94 VAL HB 1.0 . 3.3 884 802 A 100 ALA HB% A 94 VAL HB 1.0 . 5.0 885 803 A 100 ALA H A 94 VAL HB 1.0 . 3.3 886 804 A 100 ALA HA A 94 VAL HB 1.0 . 5.0 887 805 A 100 ALA HA A 94 VAL HG1% 1.0 . 2.7 888 806 A 96 ASP HA A 96 ASP HB2 1.0 . 2.7 889 807 A 96 ASP HA A 96 ASP HB3 1.0 . 2.7 890 808 A 98 LYS H A 96 ASP HB2 1.0 . 3.3 891 809 A 99 GLU H A 96 ASP HB2 1.0 . 5.0 892 810 A 97 THR H A 97 THR HB 1.0 . 3.3 893 811 A 98 LYS H A 97 THR HB 1.0 . 3.3 894 812 A 101 LEU HA A 101 LEU HD2% 1.0 . 2.7 895 813 A 9 SER H A 12 GLU OE1 1.0 . 2.0 896 814 A 12 GLU OE1 A 9 SER N 1.0 . 3.0 897 815 A 29 TYR OH A 97 THR HG1 1.0 . 2.0 898 816 A 29 TYR OH A 97 THR OG1 1.0 . 3.0 899 817 A 30 LYS H A 33 HIS ND1 1.0 . 2.0 900 818 A 33 HIS ND1 A 30 LYS N 1.0 . 3.0 901 819 A 99 GLU H A 96 ASP OD1 1.0 . 2.0 902 820 A 96 ASP OD1 A 99 GLU N 1.0 . 3.0 903 821 A 56 GLY H A 53 THR OG1 1.0 . 2.0 904 822 A 53 THR OG1 A 56 GLY N 1.0 . 3.0 905 823 A 89 HIS HD1 A 12 GLU OE2 1.0 . 2.0 906 824 A 12 GLU OE2 A 89 HIS ND1 1.0 . 3.0 907 825 A 89 HIS HE2 A 51 LEU O 1.0 . 2.0 908 826 A 51 LEU O A 89 HIS NE2 1.0 . 3.0 stop_ save_