data_nef_c19798_2mkw 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 15276 BMRB 19870 PDB 2W0K PDB 2MKW PDB 2MMX stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 22 CYS SG 1 91 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASN start . . 2 A 2 PHE middle . . 3 A 3 MET middle . . 4 A 4 LEU middle . . 5 A 5 THR middle . . 6 A 6 GLN middle . . 7 A 7 PRO middle . false 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 VAL middle . . 11 A 11 SER middle . . 12 A 12 GLU middle . . 13 A 13 SER middle . . 14 A 14 PRO middle . false 15 A 15 GLY middle . false 16 A 16 LYS middle . . 17 A 17 THR middle . . 18 A 18 VAL middle . . 19 A 19 THR middle . . 20 A 20 ILE middle . . 21 A 21 SER middle . . 22 A 22 CYS middle -HG . 23 A 23 THR middle . . 24 A 24 GLY middle . false 25 A 25 SER middle . . 26 A 26 SER middle . . 27 A 27 GLY middle . false 28 A 28 SER middle . . 29 A 29 ILE middle . . 30 A 30 ALA middle . . 31 A 31 SER middle . . 32 A 32 ASN middle . . 33 A 33 TYR middle . . 34 A 34 VAL middle . . 35 A 35 GLN middle . . 36 A 36 TRP middle . . 37 A 37 TYR middle . . 38 A 38 GLN middle . . 39 A 39 GLN middle . . 40 A 40 ARG middle . . 41 A 41 PRO middle . false 42 A 42 GLY middle . false 43 A 43 SER middle . . 44 A 44 SER middle . . 45 A 45 PRO middle . false 46 A 46 THR middle . . 47 A 47 THR middle . . 48 A 48 VAL middle . . 49 A 49 ILE middle . . 50 A 50 TYR middle . . 51 A 51 GLU middle . . 52 A 52 ASP middle . . 53 A 53 ASN middle . . 54 A 54 GLN middle . . 55 A 55 ARG middle . . 56 A 56 PRO middle . false 57 A 57 SER middle . . 58 A 58 GLY middle . false 59 A 59 VAL middle . . 60 A 60 PRO middle . false 61 A 61 ASP middle . . 62 A 62 ARG middle . . 63 A 63 PHE middle . . 64 A 64 SER middle . . 65 A 65 GLY middle . false 66 A 66 SER middle . . 67 A 67 ILE middle . . 68 A 68 ASP middle . . 69 A 69 SER middle . . 70 A 70 SER middle . . 71 A 71 SER middle . . 72 A 72 ASN middle . . 73 A 73 SER middle . . 74 A 74 ALA middle . . 75 A 75 SER middle . . 76 A 76 LEU middle . . 77 A 77 THR middle . . 78 A 78 ILE middle . . 79 A 79 SER middle . . 80 A 80 GLY middle . false 81 A 81 LEU middle . . 82 A 82 LYS middle . . 83 A 83 THR middle . . 84 A 84 GLU middle . . 85 A 85 ASP middle . . 86 A 86 GLU middle . . 87 A 87 ALA middle . . 88 A 88 ASP middle . . 89 A 89 TYR middle . . 90 A 90 TYR middle . . 91 A 91 CYS middle -HG . 92 A 92 GLN middle . . 93 A 93 SER middle . . 94 A 94 TYR middle . . 95 A 95 ASP middle . . 96 A 96 SER middle . . 97 A 97 SER middle . . 98 A 98 ASN middle . . 99 A 99 HIS middle . . 100 A 100 VAL middle . . 101 A 101 VAL middle . . 102 A 102 PHE middle . . 103 A 103 GLY middle . false 104 A 104 GLY middle . false 105 A 105 GLY middle . false 106 A 106 THR middle . . 107 A 107 LYS middle . . 108 A 108 LEU middle . . 109 A 109 THR middle . . 110 A 110 VAL middle . . 111 A 111 LEU end . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 HA H 1 4.753 0.020 A 1 ASN HBx H 1 2.616 0.020 A 1 ASN HBy H 1 2.832 0.020 A 1 ASN HD21 H 1 7.695 0.020 A 1 ASN HD22 H 1 7.065 0.020 A 1 ASN ND2 N 15 113.811 0.3 A 2 PHE HA H 1 4.806 0.020 A 2 PHE HBy H 1 3.330 0.020 A 2 PHE HBx H 1 2.696 0.020 A 2 PHE HDy H 1 6.946 0.020 A 2 PHE HDx H 1 6.931 0.020 A 2 PHE HE1 H 1 6.860 0.020 A 2 PHE HE2 H 1 6.860 0.020 A 2 PHE HZ H 1 7.020 0.020 A 2 PHE C C 13 173.400 0.3 A 2 PHE CA C 13 58.012 0.3 A 2 PHE CB C 13 40.425 0.3 A 3 MET H H 1 7.802 0.020 A 3 MET HA H 1 4.330 0.020 A 3 MET HBy H 1 1.822 0.020 A 3 MET HBx H 1 1.730 0.020 A 3 MET HE% H 1 2.007 0.020 A 3 MET HGy H 1 2.413 0.020 A 3 MET HGx H 1 2.361 0.020 A 3 MET C C 13 172.800 0.3 A 3 MET CA C 13 54.038 0.3 A 3 MET CB C 13 36.316 0.3 A 3 MET CE C 13 16.407 0.3 A 3 MET CG C 13 31.728 0.3 A 3 MET N N 15 124.744 0.3 A 4 LEU H H 1 8.074 0.020 A 4 LEU HA H 1 4.670 0.020 A 4 LEU HBy H 1 1.100 0.020 A 4 LEU HBx H 1 1.030 0.020 A 4 LEU HDx% H 1 0.339 0.020 A 4 LEU HDy% H 1 0.478 0.020 A 4 LEU HG H 1 0.799 0.020 A 4 LEU C C 13 176.200 0.3 A 4 LEU CA C 13 53.710 0.3 A 4 LEU CB C 13 44.100 0.3 A 4 LEU CD1 C 13 26.000 0.3 A 4 LEU CD2 C 13 23.600 0.3 A 4 LEU CG C 13 25.800 0.3 A 4 LEU N N 15 120.401 0.3 A 5 THR H H 1 8.747 0.020 A 5 THR HA H 1 4.671 0.020 A 5 THR HB H 1 3.892 0.020 A 5 THR HG2% H 1 1.141 0.020 A 5 THR C C 13 173.700 0.3 A 5 THR CA C 13 61.500 0.3 A 5 THR CB C 13 70.387 0.3 A 5 THR CG2 C 13 21.219 0.3 A 5 THR N N 15 116.696 0.3 A 6 GLN H H 1 9.251 0.020 A 6 GLN HA H 1 5.294 0.020 A 6 GLN HBy H 1 2.404 0.020 A 6 GLN HBx H 1 1.650 0.020 A 6 GLN HE21 H 1 7.678 0.020 A 6 GLN HE22 H 1 7.235 0.020 A 6 GLN HGy H 1 2.770 0.020 A 6 GLN HGx H 1 2.000 0.020 A 6 GLN C C 13 173.900 0.3 A 6 GLN CA C 13 52.075 0.3 A 6 GLN CB C 13 32.285 0.3 A 6 GLN CG C 13 36.004 0.3 A 6 GLN N N 15 125.488 0.3 A 6 GLN NE2 N 15 110.953 0.3 A 8 HIS HA H 1 4.630 0.020 A 8 HIS HB2 H 1 3.239 0.020 A 8 HIS HB3 H 1 3.239 0.020 A 8 HIS HD2 H 1 7.470 0.020 A 8 HIS HE1 H 1 8.650 0.020 A 8 HIS C C 13 176.400 0.3 A 8 HIS CA C 13 59.200 0.3 A 8 HIS CB C 13 28.700 0.3 A 9 SER H H 1 7.896 0.020 A 9 SER HA H 1 5.302 0.020 A 9 SER HBy H 1 4.781 0.020 A 9 SER HBx H 1 3.817 0.020 A 9 SER C C 13 172.300 0.3 A 9 SER CA C 13 56.884 0.3 A 9 SER CB C 13 65.618 0.3 A 9 SER N N 15 110.956 0.3 A 10 VAL H H 1 8.599 0.020 A 10 VAL HA H 1 4.392 0.020 A 10 VAL HB H 1 1.803 0.020 A 10 VAL HGx% H 1 0.870 0.020 A 10 VAL HGy% H 1 0.812 0.020 A 10 VAL C C 13 173.400 0.3 A 10 VAL CA C 13 60.808 0.3 A 10 VAL CB C 13 36.616 0.3 A 10 VAL CG1 C 13 21.526 0.3 A 10 VAL CG2 C 13 21.300 0.3 A 10 VAL N N 15 120.650 0.3 A 11 SER H H 1 8.291 0.020 A 11 SER HA H 1 5.745 0.020 A 11 SER HBy H 1 3.670 0.020 A 11 SER HBx H 1 3.586 0.020 A 11 SER C C 13 173.200 0.3 A 11 SER CA C 13 55.848 0.3 A 11 SER CB C 13 65.972 0.3 A 11 SER N N 15 118.785 0.3 A 12 GLU H H 1 8.243 0.020 A 12 GLU HA H 1 4.541 0.020 A 12 GLU HBy H 1 1.740 0.020 A 12 GLU HBx H 1 1.590 0.020 A 12 GLU HGy H 1 2.526 0.020 A 12 GLU HGx H 1 2.384 0.020 A 12 GLU C C 13 174.200 0.3 A 12 GLU CA C 13 54.216 0.3 A 12 GLU CB C 13 35.065 0.3 A 12 GLU CG C 13 36.775 0.3 A 12 GLU N N 15 123.685 0.3 A 13 SER H H 1 9.693 0.020 A 13 SER HA H 1 4.810 0.020 A 13 SER HBy H 1 3.913 0.020 A 13 SER HBx H 1 3.524 0.020 A 13 SER C C 13 171.100 0.3 A 13 SER CA C 13 57.921 0.3 A 13 SER CB C 13 62.787 0.3 A 13 SER N N 15 119.524 0.3 A 14 PRO HA H 1 3.950 0.020 A 14 PRO HBy H 1 2.154 0.020 A 14 PRO HBx H 1 1.830 0.020 A 14 PRO HDy H 1 3.930 0.020 A 14 PRO HDx H 1 3.540 0.020 A 14 PRO HGy H 1 2.077 0.020 A 14 PRO HGx H 1 1.716 0.020 A 14 PRO C C 13 177.700 0.3 A 14 PRO CA C 13 63.447 0.3 A 14 PRO CB C 13 31.328 0.3 A 15 GLY H H 1 10.070 0.020 A 15 GLY HAy H 1 4.263 0.020 A 15 GLY HAx H 1 3.383 0.020 A 15 GLY C C 13 174.800 0.3 A 15 GLY CA C 13 44.413 0.3 A 15 GLY N N 15 112.023 0.3 A 16 LYS H H 1 7.187 0.020 A 16 LYS HA H 1 4.449 0.020 A 16 LYS HBx H 1 1.878 0.020 A 16 LYS HBy H 1 1.880 0.020 A 16 LYS HDx H 1 1.575 0.020 A 16 LYS HDy H 1 1.620 0.020 A 16 LYS HE2 H 1 2.960 0.020 A 16 LYS HE3 H 1 2.960 0.020 A 16 LYS HGy H 1 1.368 0.020 A 16 LYS HGx H 1 1.166 0.020 A 16 LYS C C 13 174.300 0.3 A 16 LYS CA C 13 55.211 0.3 A 16 LYS CB C 13 32.675 0.3 A 16 LYS CD C 13 27.900 0.3 A 16 LYS CE C 13 42.200 0.3 A 16 LYS CG C 13 24.880 0.3 A 16 LYS N N 15 121.085 0.3 A 17 THR H H 1 8.044 0.020 A 17 THR HA H 1 5.325 0.020 A 17 THR HB H 1 3.797 0.020 A 17 THR HG2% H 1 0.866 0.020 A 17 THR C C 13 173.800 0.3 A 17 THR CA C 13 60.842 0.3 A 17 THR CB C 13 69.861 0.3 A 17 THR CG2 C 13 21.500 0.3 A 17 THR N N 15 115.430 0.3 A 18 VAL H H 1 8.601 0.020 A 18 VAL HA H 1 4.546 0.020 A 18 VAL HB H 1 1.643 0.020 A 18 VAL HGx% H 1 0.691 0.020 A 18 VAL HGy% H 1 0.747 0.020 A 18 VAL C C 13 172.200 0.3 A 18 VAL CA C 13 58.811 0.3 A 18 VAL CB C 13 35.057 0.3 A 18 VAL CG1 C 13 21.162 0.3 A 18 VAL CG2 C 13 21.300 0.3 A 18 VAL N N 15 124.487 0.3 A 19 THR H H 1 8.119 0.020 A 19 THR HA H 1 5.034 0.020 A 19 THR HB H 1 3.603 0.020 A 19 THR HG2% H 1 0.870 0.020 A 19 THR C C 13 173.400 0.3 A 19 THR CA C 13 60.786 0.3 A 19 THR CB C 13 70.706 0.3 A 19 THR CG2 C 13 21.402 0.3 A 19 THR N N 15 120.165 0.3 A 20 ILE H H 1 9.237 0.020 A 20 ILE HA H 1 4.016 0.020 A 20 ILE HB H 1 1.430 0.020 A 20 ILE HD1% H 1 0.382 0.020 A 20 ILE HG1y H 1 1.313 0.020 A 20 ILE HG1x H 1 0.760 0.020 A 20 ILE HG2% H 1 1.070 0.020 A 20 ILE C C 13 174.100 0.3 A 20 ILE CA C 13 60.891 0.3 A 20 ILE CB C 13 40.500 0.3 A 20 ILE CD1 C 13 13.219 0.3 A 20 ILE CG1 C 13 28.584 0.3 A 20 ILE CG2 C 13 18.362 0.3 A 20 ILE N N 15 127.750 0.3 A 21 SER H H 1 7.773 0.020 A 21 SER HA H 1 5.347 0.020 A 21 SER HBx H 1 3.769 0.020 A 21 SER HBy H 1 3.771 0.020 A 21 SER C C 13 173.400 0.3 A 21 SER CA C 13 57.209 0.3 A 21 SER CB C 13 65.885 0.3 A 21 SER N N 15 120.141 0.3 A 22 CYS H H 1 8.874 0.020 A 22 CYS HA H 1 5.040 0.020 A 22 CYS HBy H 1 3.355 0.020 A 22 CYS HBx H 1 2.869 0.020 A 22 CYS C C 13 173.900 0.3 A 22 CYS CA C 13 55.278 0.3 A 22 CYS CB C 13 46.167 0.3 A 22 CYS N N 15 121.597 0.3 A 23 THR H H 1 9.338 0.020 A 23 THR HA H 1 4.647 0.020 A 23 THR HB H 1 3.881 0.020 A 23 THR HG2% H 1 1.335 0.020 A 23 THR C C 13 175.500 0.3 A 23 THR CA C 13 62.769 0.3 A 23 THR CB C 13 70.084 0.3 A 23 THR CG2 C 13 21.205 0.3 A 23 THR N N 15 121.867 0.3 A 24 GLY H H 1 9.269 0.020 A 24 GLY HAy H 1 4.935 0.020 A 24 GLY HAx H 1 3.386 0.020 A 24 GLY C C 13 173.000 0.3 A 24 GLY CA C 13 44.585 0.3 A 24 GLY N N 15 115.156 0.3 A 25 SER H H 1 8.475 0.020 A 25 SER HA H 1 4.682 0.020 A 25 SER HB2 H 1 3.823 0.020 A 25 SER HB3 H 1 3.823 0.020 A 25 SER C C 13 173.100 0.3 A 25 SER CA C 13 58.168 0.3 A 25 SER CB C 13 64.695 0.3 A 25 SER N N 15 117.074 0.3 A 26 SER H H 1 8.770 0.020 A 26 SER HA H 1 5.019 0.020 A 26 SER HBy H 1 4.144 0.020 A 26 SER HBx H 1 4.115 0.020 A 26 SER C C 13 173.900 0.3 A 26 SER CA C 13 58.898 0.3 A 26 SER CB C 13 61.808 0.3 A 26 SER N N 15 114.436 0.3 A 27 GLY H H 1 7.836 0.020 A 27 GLY HAy H 1 3.974 0.020 A 27 GLY HAx H 1 3.757 0.020 A 27 GLY C C 13 172.100 0.3 A 27 GLY CA C 13 44.427 0.3 A 27 GLY N N 15 105.594 0.3 A 28 SER H H 1 8.213 0.020 A 28 SER HA H 1 4.990 0.020 A 28 SER HB2 H 1 3.750 0.020 A 28 SER HB3 H 1 3.750 0.020 A 28 SER C C 13 176.500 0.3 A 28 SER CA C 13 56.206 0.3 A 28 SER CB C 13 63.800 0.3 A 28 SER N N 15 116.379 0.3 A 29 ILE H H 1 9.542 0.020 A 29 ILE HA H 1 4.180 0.020 A 29 ILE HB H 1 1.437 0.020 A 29 ILE HD1% H 1 0.798 0.020 A 29 ILE HG1y H 1 1.550 0.020 A 29 ILE HG1x H 1 1.212 0.020 A 29 ILE HG2% H 1 0.803 0.020 A 29 ILE C C 13 174.600 0.3 A 29 ILE CA C 13 61.000 0.3 A 29 ILE CB C 13 40.000 0.3 A 29 ILE CD1 C 13 14.690 0.3 A 29 ILE CG1 C 13 28.800 0.3 A 29 ILE CG2 C 13 17.659 0.3 A 29 ILE N N 15 130.936 0.3 A 30 ALA H H 1 7.697 0.020 A 30 ALA HA H 1 4.389 0.020 A 30 ALA HB% H 1 1.229 0.020 A 30 ALA C C 13 178.200 0.3 A 30 ALA CA C 13 51.304 0.3 A 30 ALA CB C 13 18.291 0.3 A 30 ALA N N 15 119.879 0.3 A 31 SER H H 1 7.542 0.020 A 31 SER HA H 1 4.002 0.020 A 31 SER HB2 H 1 3.759 0.020 A 31 SER HB3 H 1 3.759 0.020 A 31 SER C C 13 173.000 0.3 A 31 SER CA C 13 60.900 0.3 A 31 SER CB C 13 63.600 0.3 A 31 SER N N 15 113.293 0.3 A 32 ASN H H 1 7.484 0.020 A 32 ASN HA H 1 4.648 0.020 A 32 ASN HBy H 1 2.622 0.020 A 32 ASN HBx H 1 2.525 0.020 A 32 ASN HD21 H 1 7.481 0.020 A 32 ASN HD22 H 1 6.724 0.020 A 32 ASN C C 13 173.400 0.3 A 32 ASN CA C 13 51.770 0.3 A 32 ASN CB C 13 43.836 0.3 A 32 ASN N N 15 117.430 0.3 A 32 ASN ND2 N 15 116.542 0.3 A 33 TYR H H 1 8.454 0.020 A 33 TYR HA H 1 4.934 0.020 A 33 TYR HBy H 1 3.317 0.020 A 33 TYR HBx H 1 2.682 0.020 A 33 TYR HDy H 1 7.233 0.020 A 33 TYR HDx H 1 7.200 0.020 A 33 TYR HEy H 1 6.900 0.020 A 33 TYR HEx H 1 6.852 0.020 A 33 TYR C C 13 178.400 0.3 A 33 TYR CA C 13 57.855 0.3 A 33 TYR CB C 13 40.226 0.3 A 33 TYR N N 15 117.143 0.3 A 34 VAL H H 1 9.552 0.020 A 34 VAL HA H 1 4.527 0.020 A 34 VAL HB H 1 2.005 0.020 A 34 VAL HGx% H 1 0.403 0.020 A 34 VAL HGy% H 1 0.880 0.020 A 34 VAL C C 13 174.000 0.3 A 34 VAL CA C 13 61.197 0.3 A 34 VAL CB C 13 33.400 0.3 A 34 VAL CG1 C 13 21.234 0.3 A 34 VAL CG2 C 13 21.339 0.3 A 34 VAL N N 15 127.298 0.3 A 35 GLN H H 1 8.674 0.020 A 35 GLN HA H 1 4.864 0.020 A 35 GLN HB2 H 1 1.779 0.020 A 35 GLN HB3 H 1 1.779 0.020 A 35 GLN HG2 H 1 2.464 0.020 A 35 GLN HG3 H 1 2.464 0.020 A 35 GLN C C 13 174.300 0.3 A 35 GLN CA C 13 53.061 0.3 A 35 GLN CB C 13 33.484 0.3 A 35 GLN CG C 13 36.500 0.3 A 35 GLN N N 15 125.533 0.3 A 36 TRP H H 1 9.083 0.020 A 36 TRP HA H 1 5.481 0.020 A 36 TRP HBy H 1 2.949 0.020 A 36 TRP HBx H 1 2.775 0.020 A 36 TRP HD1 H 1 6.582 0.020 A 36 TRP HE1 H 1 10.256 0.020 A 36 TRP HE3 H 1 7.256 0.020 A 36 TRP HH2 H 1 6.860 0.020 A 36 TRP HZ2 H 1 7.060 0.020 A 36 TRP HZ3 H 1 6.760 0.020 A 36 TRP C C 13 175.700 0.3 A 36 TRP CA C 13 55.700 0.3 A 36 TRP CB C 13 33.300 0.3 A 36 TRP N N 15 117.867 0.3 A 36 TRP NE1 N 15 131.044 0.3 A 37 TYR H H 1 9.607 0.020 A 37 TYR HA H 1 5.497 0.020 A 37 TYR HBy H 1 2.766 0.020 A 37 TYR HBx H 1 2.564 0.020 A 37 TYR HDy H 1 6.741 0.020 A 37 TYR HDx H 1 6.702 0.020 A 37 TYR HE1 H 1 6.820 0.020 A 37 TYR HE2 H 1 6.820 0.020 A 37 TYR C C 13 174.600 0.3 A 37 TYR CA C 13 56.200 0.3 A 37 TYR CB C 13 40.967 0.3 A 37 TYR N N 15 119.988 0.3 A 38 GLN H H 1 9.410 0.020 A 38 GLN HA H 1 4.340 0.020 A 38 GLN HB2 H 1 1.470 0.020 A 38 GLN HB3 H 1 1.470 0.020 A 38 GLN HE21 H 1 7.870 0.020 A 38 GLN HE22 H 1 7.621 0.020 A 38 GLN HG2 H 1 1.590 0.020 A 38 GLN HG3 H 1 1.590 0.020 A 38 GLN C C 13 174.000 0.3 A 38 GLN CA C 13 54.090 0.3 A 38 GLN CB C 13 34.927 0.3 A 38 GLN CG C 13 35.600 0.3 A 38 GLN N N 15 122.674 0.3 A 38 GLN NE2 N 15 112.781 0.3 A 39 GLN H H 1 9.497 0.020 A 39 GLN HA H 1 4.806 0.020 A 39 GLN HB2 H 1 1.929 0.020 A 39 GLN HB3 H 1 1.929 0.020 A 39 GLN HE21 H 1 7.547 0.020 A 39 GLN HE22 H 1 6.896 0.020 A 39 GLN HG2 H 1 2.236 0.020 A 39 GLN HG3 H 1 2.236 0.020 A 39 GLN C C 13 175.100 0.3 A 39 GLN CA C 13 54.401 0.3 A 39 GLN CB C 13 31.730 0.3 A 39 GLN CG C 13 33.600 0.3 A 39 GLN N N 15 128.281 0.3 A 39 GLN NE2 N 15 112.731 0.3 A 41 PRO HA H 1 4.332 0.020 A 41 PRO HBy H 1 2.250 0.020 A 41 PRO HBx H 1 1.838 0.020 A 41 PRO HDy H 1 3.850 0.020 A 41 PRO HDx H 1 3.580 0.020 A 41 PRO HGy H 1 2.093 0.020 A 41 PRO HGx H 1 2.024 0.020 A 41 PRO C C 13 178.700 0.3 A 41 PRO CA C 13 65.123 0.3 A 41 PRO CB C 13 31.156 0.3 A 42 GLY H H 1 8.860 0.020 A 42 GLY HAy H 1 4.095 0.020 A 42 GLY HAx H 1 3.778 0.020 A 42 GLY C C 13 174.200 0.3 A 42 GLY CA C 13 45.426 0.3 A 42 GLY N N 15 113.803 0.3 A 43 SER H H 1 7.935 0.020 A 43 SER HA H 1 4.990 0.020 A 43 SER HBy H 1 3.895 0.020 A 43 SER HBx H 1 3.733 0.020 A 43 SER C C 13 173.200 0.3 A 43 SER CA C 13 56.900 0.3 A 43 SER CB C 13 65.328 0.3 A 43 SER N N 15 114.946 0.3 A 44 SER H H 1 8.405 0.020 A 44 SER HA H 1 4.560 0.020 A 44 SER HBy H 1 3.920 0.020 A 44 SER HBx H 1 3.890 0.020 A 44 SER C C 13 173.700 0.3 A 44 SER CA C 13 57.900 0.3 A 44 SER CB C 13 64.800 0.3 A 44 SER N N 15 116.348 0.3 A 45 PRO HA H 1 4.380 0.020 A 45 PRO HBy H 1 2.250 0.020 A 45 PRO HBx H 1 1.900 0.020 A 45 PRO HDy H 1 3.760 0.020 A 45 PRO HDx H 1 3.650 0.020 A 45 PRO HG2 H 1 1.980 0.020 A 45 PRO HG3 H 1 1.980 0.020 A 45 PRO C C 13 176.400 0.3 A 45 PRO CA C 13 63.600 0.3 A 45 PRO CB C 13 32.200 0.3 A 46 THR H H 1 9.185 0.020 A 46 THR HA H 1 4.757 0.020 A 46 THR HB H 1 4.163 0.020 A 46 THR HG2% H 1 1.150 0.020 A 46 THR C C 13 174.200 0.3 A 46 THR CA C 13 60.700 0.3 A 46 THR CB C 13 70.369 0.3 A 46 THR CG2 C 13 20.812 0.3 A 46 THR N N 15 116.741 0.3 A 47 THR H H 1 8.954 0.020 A 47 THR HA H 1 4.098 0.020 A 47 THR HB H 1 3.894 0.020 A 47 THR HG2% H 1 1.011 0.020 A 47 THR C C 13 174.900 0.3 A 47 THR CA C 13 64.212 0.3 A 47 THR CB C 13 68.443 0.3 A 47 THR CG2 C 13 22.306 0.3 A 47 THR N N 15 123.309 0.3 A 48 VAL H H 1 8.981 0.020 A 48 VAL HA H 1 4.453 0.020 A 48 VAL HB H 1 1.669 0.020 A 48 VAL HGx% H 1 0.490 0.020 A 48 VAL HGy% H 1 0.760 0.020 A 48 VAL C C 13 172.700 0.3 A 48 VAL CA C 13 61.592 0.3 A 48 VAL CB C 13 33.600 0.3 A 48 VAL CG1 C 13 22.483 0.3 A 48 VAL CG2 C 13 19.851 0.3 A 48 VAL N N 15 121.193 0.3 A 49 ILE H H 1 7.282 0.020 A 49 ILE HA H 1 5.108 0.020 A 49 ILE HB H 1 1.907 0.020 A 49 ILE HD1% H 1 0.516 0.020 A 49 ILE HG1y H 1 1.290 0.020 A 49 ILE HG1x H 1 1.006 0.020 A 49 ILE HG2% H 1 0.738 0.020 A 49 ILE C C 13 175.000 0.3 A 49 ILE CA C 13 56.400 0.3 A 49 ILE CB C 13 41.300 0.3 A 49 ILE CD1 C 13 8.793 0.3 A 49 ILE CG1 C 13 27.400 0.3 A 49 ILE CG2 C 13 17.573 0.3 A 49 ILE N N 15 116.585 0.3 A 50 TYR H H 1 9.438 0.020 A 50 TYR HA H 1 5.104 0.020 A 50 TYR HBy H 1 3.015 0.020 A 50 TYR HBx H 1 2.780 0.020 A 50 TYR HDy H 1 6.671 0.020 A 50 TYR HDx H 1 6.644 0.020 A 50 TYR HEx H 1 6.274 0.020 A 50 TYR HEy H 1 6.370 0.020 A 50 TYR C C 13 172.600 0.3 A 50 TYR CA C 13 54.900 0.3 A 50 TYR CB C 13 41.200 0.3 A 50 TYR N N 15 123.350 0.3 A 51 GLU H H 1 9.183 0.020 A 51 GLU HA H 1 3.014 0.020 A 51 GLU HBy H 1 1.560 0.020 A 51 GLU HBx H 1 1.450 0.020 A 51 GLU HGy H 1 1.832 0.020 A 51 GLU HGx H 1 1.750 0.020 A 51 GLU C C 13 176.600 0.3 A 51 GLU CA C 13 57.400 0.3 A 51 GLU CB C 13 26.800 0.3 A 51 GLU CG C 13 35.789 0.3 A 51 GLU N N 15 116.382 0.3 A 52 ASP H H 1 8.913 0.020 A 52 ASP HA H 1 4.138 0.020 A 52 ASP HBy H 1 2.401 0.020 A 52 ASP HBx H 1 2.386 0.020 A 52 ASP C C 13 177.700 0.3 A 52 ASP CA C 13 59.300 0.3 A 52 ASP CB C 13 38.700 0.3 A 52 ASP N N 15 113.602 0.3 A 53 ASN H H 1 8.735 0.020 A 53 ASN HA H 1 4.433 0.020 A 53 ASN HBy H 1 3.158 0.020 A 53 ASN HBx H 1 2.589 0.020 A 53 ASN HD21 H 1 7.527 0.020 A 53 ASN HD22 H 1 6.812 0.020 A 53 ASN C C 13 176.000 0.3 A 53 ASN CA C 13 52.355 0.3 A 53 ASN CB C 13 39.361 0.3 A 53 ASN N N 15 115.348 0.3 A 53 ASN ND2 N 15 110.879 0.3 A 54 GLN H H 1 8.670 0.020 A 54 GLN HA H 1 4.370 0.020 A 54 GLN HBy H 1 1.920 0.020 A 54 GLN HBx H 1 1.321 0.020 A 54 GLN HE21 H 1 7.450 0.020 A 54 GLN HE22 H 1 6.760 0.020 A 54 GLN HGy H 1 2.248 0.020 A 54 GLN HGx H 1 2.042 0.020 A 54 GLN C C 13 174.100 0.3 A 54 GLN CA C 13 54.600 0.3 A 54 GLN CB C 13 28.900 0.3 A 54 GLN CG C 13 33.500 0.3 A 54 GLN N N 15 121.005 0.3 A 54 GLN NE2 N 15 115.082 0.3 A 55 ARG H H 1 8.551 0.020 A 55 ARG HA H 1 5.120 0.020 A 55 ARG HBy H 1 1.780 0.020 A 55 ARG HBx H 1 1.610 0.020 A 55 ARG HDy H 1 3.620 0.020 A 55 ARG HDx H 1 3.120 0.020 A 55 ARG HGx H 1 1.610 0.020 A 55 ARG HGy H 1 1.740 0.020 A 55 ARG C C 13 175.600 0.3 A 55 ARG CA C 13 53.000 0.3 A 55 ARG CB C 13 33.100 0.3 A 55 ARG CD C 13 43.700 0.3 A 55 ARG CG C 13 28.075 0.3 A 55 ARG N N 15 122.223 0.3 A 56 PRO HA H 1 4.580 0.020 A 56 PRO HBy H 1 2.330 0.020 A 56 PRO HBx H 1 1.840 0.020 A 56 PRO HDy H 1 3.720 0.020 A 56 PRO HDx H 1 3.520 0.020 A 56 PRO HGy H 1 1.886 0.020 A 56 PRO HGx H 1 1.697 0.020 A 56 PRO C C 13 176.200 0.3 A 56 PRO CA C 13 62.405 0.3 A 56 PRO CB C 13 32.500 0.3 A 57 SER H H 1 8.561 0.020 A 57 SER HA H 1 4.220 0.020 A 57 SER HBx H 1 3.851 0.020 A 57 SER HBy H 1 3.880 0.020 A 57 SER C C 13 176.200 0.3 A 57 SER CA C 13 60.300 0.3 A 57 SER CB C 13 63.000 0.3 A 57 SER N N 15 116.385 0.3 A 58 GLY HAy H 1 4.158 0.020 A 58 GLY HAx H 1 3.698 0.020 A 58 GLY C C 13 174.300 0.3 A 58 GLY CA C 13 44.707 0.3 A 59 VAL H H 1 7.499 0.020 A 59 VAL HA H 1 4.343 0.020 A 59 VAL HB H 1 2.069 0.020 A 59 VAL HGx% H 1 0.934 0.020 A 59 VAL HGy% H 1 1.037 0.020 A 59 VAL C C 13 174.600 0.3 A 59 VAL CA C 13 59.801 0.3 A 59 VAL CB C 13 33.336 0.3 A 59 VAL CG1 C 13 22.697 0.3 A 59 VAL CG2 C 13 19.087 0.3 A 59 VAL N N 15 124.336 0.3 A 60 PRO HA H 1 4.550 0.020 A 60 PRO HBy H 1 2.610 0.020 A 60 PRO HBx H 1 2.050 0.020 A 60 PRO HDy H 1 4.030 0.020 A 60 PRO HDx H 1 3.700 0.020 A 60 PRO HGy H 1 2.212 0.020 A 60 PRO HGx H 1 2.200 0.020 A 60 PRO C C 13 176.500 0.3 A 60 PRO CA C 13 63.400 0.3 A 60 PRO CB C 13 33.131 0.3 A 61 ASP H H 1 8.515 0.020 A 61 ASP HA H 1 4.081 0.020 A 61 ASP HBy H 1 2.881 0.020 A 61 ASP HBx H 1 2.590 0.020 A 61 ASP C C 13 175.600 0.3 A 61 ASP CA C 13 54.937 0.3 A 61 ASP CB C 13 39.040 0.3 A 61 ASP N N 15 119.350 0.3 A 62 ARG H H 1 6.680 0.020 A 62 ARG HA H 1 4.060 0.020 A 62 ARG HB2 H 1 1.910 0.020 A 62 ARG HB3 H 1 1.910 0.020 A 62 ARG HDy H 1 3.229 0.020 A 62 ARG HDx H 1 3.080 0.020 A 62 ARG HGy H 1 2.220 0.020 A 62 ARG HGx H 1 2.075 0.020 A 62 ARG C C 13 175.800 0.3 A 62 ARG CA C 13 57.000 0.3 A 62 ARG CB C 13 29.300 0.3 A 62 ARG CD C 13 42.400 0.3 A 62 ARG CG C 13 28.600 0.3 A 62 ARG N N 15 114.826 0.3 A 63 PHE H H 1 7.686 0.020 A 63 PHE HA H 1 4.767 0.020 A 63 PHE HBy H 1 2.980 0.020 A 63 PHE HBx H 1 2.274 0.020 A 63 PHE HDy H 1 7.090 0.020 A 63 PHE HDx H 1 7.034 0.020 A 63 PHE HEy H 1 7.230 0.020 A 63 PHE HEx H 1 7.218 0.020 A 63 PHE HZ H 1 7.350 0.020 A 63 PHE C C 13 174.600 0.3 A 63 PHE CA C 13 57.856 0.3 A 63 PHE CB C 13 40.320 0.3 A 63 PHE N N 15 119.979 0.3 A 64 SER H H 1 8.882 0.020 A 64 SER HA H 1 4.754 0.020 A 64 SER HBy H 1 3.732 0.020 A 64 SER HBx H 1 3.652 0.020 A 64 SER C C 13 172.300 0.3 A 64 SER CA C 13 57.377 0.3 A 64 SER CB C 13 65.800 0.3 A 64 SER N N 15 114.814 0.3 A 65 GLY H H 1 8.769 0.020 A 65 GLY HAy H 1 5.373 0.020 A 65 GLY HAx H 1 3.688 0.020 A 65 GLY C C 13 172.600 0.3 A 65 GLY CA C 13 43.350 0.3 A 65 GLY N N 15 109.859 0.3 A 66 SER H H 1 8.654 0.020 A 66 SER HA H 1 4.748 0.020 A 66 SER HB2 H 1 3.714 0.020 A 66 SER HB3 H 1 3.714 0.020 A 66 SER C C 13 173.400 0.3 A 66 SER CA C 13 57.300 0.3 A 66 SER CB C 13 66.100 0.3 A 66 SER N N 15 112.830 0.3 A 67 ILE H H 1 8.528 0.020 A 67 ILE HA H 1 4.755 0.020 A 67 ILE HB H 1 1.940 0.020 A 67 ILE HD1% H 1 0.891 0.020 A 67 ILE HG1y H 1 1.510 0.020 A 67 ILE HG1x H 1 1.339 0.020 A 67 ILE HG2% H 1 0.826 0.020 A 67 ILE C C 13 174.700 0.3 A 67 ILE CA C 13 59.600 0.3 A 67 ILE CB C 13 40.400 0.3 A 67 ILE CD1 C 13 10.928 0.3 A 67 ILE CG1 C 13 26.900 0.3 A 67 ILE CG2 C 13 16.595 0.3 A 67 ILE N N 15 122.008 0.3 A 68 ASP H H 1 9.124 0.020 A 68 ASP HA H 1 5.029 0.020 A 68 ASP HBy H 1 2.863 0.020 A 68 ASP HBx H 1 2.454 0.020 A 68 ASP C C 13 176.300 0.3 A 68 ASP CA C 13 51.826 0.3 A 68 ASP CB C 13 41.533 0.3 A 68 ASP N N 15 126.193 0.3 A 70 SER HA H 1 4.303 0.020 A 70 SER HB2 H 1 4.030 0.020 A 70 SER HB3 H 1 4.030 0.020 A 70 SER C C 13 175.300 0.3 A 70 SER CA C 13 61.158 0.3 A 70 SER CB C 13 62.900 0.3 A 71 SER H H 1 7.416 0.020 A 71 SER HA H 1 4.583 0.020 A 71 SER HBy H 1 4.009 0.020 A 71 SER HBx H 1 3.730 0.020 A 71 SER C C 13 174.600 0.3 A 71 SER CA C 13 57.900 0.3 A 71 SER CB C 13 64.100 0.3 A 71 SER N N 15 114.342 0.3 A 72 ASN H H 1 8.099 0.020 A 72 ASN HA H 1 4.504 0.020 A 72 ASN HBy H 1 3.653 0.020 A 72 ASN HBx H 1 2.510 0.020 A 72 ASN HD21 H 1 7.681 0.020 A 72 ASN HD22 H 1 7.231 0.020 A 72 ASN C C 13 173.600 0.3 A 72 ASN CA C 13 54.040 0.3 A 72 ASN CB C 13 38.700 0.3 A 72 ASN N N 15 123.541 0.3 A 72 ASN ND2 N 15 110.326 0.3 A 73 SER H H 1 8.204 0.020 A 73 SER HA H 1 5.562 0.020 A 73 SER HBy H 1 3.679 0.020 A 73 SER HBx H 1 3.616 0.020 A 73 SER C C 13 171.500 0.3 A 73 SER CA C 13 56.177 0.3 A 73 SER CB C 13 67.756 0.3 A 73 SER N N 15 109.438 0.3 A 74 ALA H H 1 9.324 0.020 A 74 ALA HA H 1 5.346 0.020 A 74 ALA HB% H 1 1.660 0.020 A 74 ALA C C 13 176.700 0.3 A 74 ALA CA C 13 49.714 0.3 A 74 ALA CB C 13 23.431 0.3 A 74 ALA N N 15 125.096 0.3 A 75 SER H H 1 8.952 0.020 A 75 SER HA H 1 5.594 0.020 A 75 SER HB2 H 1 3.394 0.020 A 75 SER HB3 H 1 3.394 0.020 A 75 SER C C 13 171.300 0.3 A 75 SER CA C 13 57.326 0.3 A 75 SER CB C 13 66.138 0.3 A 75 SER N N 15 114.445 0.3 A 76 LEU H H 1 8.387 0.020 A 76 LEU HA H 1 4.358 0.020 A 76 LEU HBy H 1 0.280 0.020 A 76 LEU HBx H 1 0.256 0.020 A 76 LEU HDx% H 1 0.177 0.020 A 76 LEU HDy% H 1 -1.550 0.020 A 76 LEU HG H 1 0.684 0.020 A 76 LEU C C 13 174.700 0.3 A 76 LEU CA C 13 52.500 0.3 A 76 LEU CB C 13 41.400 0.3 A 76 LEU CD1 C 13 27.300 0.3 A 76 LEU CD2 C 13 23.600 0.3 A 76 LEU CG C 13 26.800 0.3 A 76 LEU N N 15 127.757 0.3 A 77 THR H H 1 9.043 0.020 A 77 THR HA H 1 4.924 0.020 A 77 THR HB H 1 3.544 0.020 A 77 THR HG2% H 1 0.781 0.020 A 77 THR C C 13 173.000 0.3 A 77 THR CA C 13 60.854 0.3 A 77 THR CB C 13 69.729 0.3 A 77 THR CG2 C 13 21.300 0.3 A 77 THR N N 15 124.480 0.3 A 78 ILE H H 1 8.697 0.020 A 78 ILE HA H 1 4.210 0.020 A 78 ILE HB H 1 1.211 0.020 A 78 ILE HD1% H 1 0.048 0.020 A 78 ILE HG12 H 1 0.789 0.020 A 78 ILE HG13 H 1 0.789 0.020 A 78 ILE HG2% H 1 -0.059 0.020 A 78 ILE C C 13 175.200 0.3 A 78 ILE CA C 13 60.300 0.3 A 78 ILE CB C 13 39.300 0.3 A 78 ILE CD1 C 13 13.355 0.3 A 78 ILE CG1 C 13 26.000 0.3 A 78 ILE CG2 C 13 17.066 0.3 A 78 ILE N N 15 127.065 0.3 A 79 SER H H 1 8.516 0.020 A 79 SER HA H 1 4.770 0.020 A 79 SER HBy H 1 3.670 0.020 A 79 SER HBx H 1 3.613 0.020 A 79 SER C C 13 173.800 0.3 A 79 SER CA C 13 56.792 0.3 A 79 SER CB C 13 64.615 0.3 A 79 SER N N 15 121.449 0.3 A 80 GLY H H 1 7.685 0.020 A 80 GLY HAy H 1 3.555 0.020 A 80 GLY HAx H 1 3.304 0.020 A 80 GLY C C 13 174.600 0.3 A 80 GLY CA C 13 46.738 0.3 A 80 GLY N N 15 109.795 0.3 A 81 LEU H H 1 7.953 0.020 A 81 LEU HA H 1 3.637 0.020 A 81 LEU HBx H 1 1.395 0.020 A 81 LEU HBy H 1 1.420 0.020 A 81 LEU HDx% H 1 0.633 0.020 A 81 LEU HDy% H 1 0.698 0.020 A 81 LEU HG H 1 1.364 0.020 A 81 LEU C C 13 176.800 0.3 A 81 LEU CA C 13 56.600 0.3 A 81 LEU CB C 13 43.827 0.3 A 81 LEU CD1 C 13 26.500 0.3 A 81 LEU CD2 C 13 25.800 0.3 A 81 LEU CG C 13 26.700 0.3 A 81 LEU N N 15 117.173 0.3 A 82 LYS H H 1 9.052 0.020 A 82 LYS HA H 1 4.809 0.020 A 82 LYS HBy H 1 2.113 0.020 A 82 LYS HBx H 1 1.540 0.020 A 82 LYS HD2 H 1 1.640 0.020 A 82 LYS HD3 H 1 1.640 0.020 A 82 LYS HEx H 1 2.863 0.020 A 82 LYS HEy H 1 2.980 0.020 A 82 LYS HGy H 1 1.587 0.020 A 82 LYS HGx H 1 1.366 0.020 A 82 LYS C C 13 177.700 0.3 A 82 LYS CA C 13 54.100 0.3 A 82 LYS CB C 13 36.933 0.3 A 82 LYS CD C 13 29.200 0.3 A 82 LYS CE C 13 42.400 0.3 A 82 LYS CG C 13 24.477 0.3 A 82 LYS N N 15 125.225 0.3 A 83 THR H H 1 8.806 0.020 A 83 THR HA H 1 4.129 0.020 A 83 THR HB H 1 3.767 0.020 A 83 THR HG2% H 1 1.268 0.020 A 83 THR C C 13 177.300 0.3 A 83 THR CA C 13 67.823 0.3 A 83 THR CB C 13 66.442 0.3 A 83 THR CG2 C 13 21.808 0.3 A 83 THR N N 15 116.316 0.3 A 84 GLU H H 1 8.803 0.020 A 84 GLU HA H 1 4.275 0.020 A 84 GLU HBy H 1 2.110 0.020 A 84 GLU HBx H 1 2.060 0.020 A 84 GLU HGx H 1 2.147 0.020 A 84 GLU HGy H 1 2.170 0.020 A 84 GLU C C 13 175.500 0.3 A 84 GLU CA C 13 57.811 0.3 A 84 GLU CB C 13 28.931 0.3 A 84 GLU CG C 13 35.711 0.3 A 84 GLU N N 15 118.287 0.3 A 85 ASP H H 1 8.103 0.020 A 85 ASP HA H 1 4.538 0.020 A 85 ASP HBy H 1 2.870 0.020 A 85 ASP HBx H 1 2.630 0.020 A 85 ASP C C 13 177.600 0.3 A 85 ASP CA C 13 54.509 0.3 A 85 ASP CB C 13 40.430 0.3 A 85 ASP N N 15 119.721 0.3 A 86 GLU H H 1 7.537 0.020 A 86 GLU HA H 1 4.090 0.020 A 86 GLU HBy H 1 2.196 0.020 A 86 GLU HBx H 1 2.132 0.020 A 86 GLU HGy H 1 3.070 0.020 A 86 GLU HGx H 1 2.159 0.020 A 86 GLU C C 13 175.000 0.3 A 86 GLU CA C 13 58.428 0.3 A 86 GLU CB C 13 29.469 0.3 A 86 GLU CG C 13 36.376 0.3 A 86 GLU N N 15 121.758 0.3 A 87 ALA H H 1 8.062 0.020 A 87 ALA HA H 1 4.332 0.020 A 87 ALA HB% H 1 1.007 0.020 A 87 ALA C C 13 174.600 0.3 A 87 ALA CA C 13 51.298 0.3 A 87 ALA CB C 13 19.833 0.3 A 87 ALA N N 15 126.350 0.3 A 88 ASP H H 1 7.701 0.020 A 88 ASP HA H 1 5.532 0.020 A 88 ASP HBy H 1 2.500 0.020 A 88 ASP HBx H 1 2.084 0.020 A 88 ASP C C 13 175.300 0.3 A 88 ASP CA C 13 53.338 0.3 A 88 ASP CB C 13 42.900 0.3 A 88 ASP N N 15 117.539 0.3 A 89 TYR H H 1 9.004 0.020 A 89 TYR HA H 1 5.700 0.020 A 89 TYR HBy H 1 2.840 0.020 A 89 TYR HBx H 1 2.730 0.020 A 89 TYR HD1 H 1 6.950 0.020 A 89 TYR HD2 H 1 6.950 0.020 A 89 TYR HE1 H 1 6.850 0.020 A 89 TYR HE2 H 1 6.850 0.020 A 89 TYR C C 13 176.800 0.3 A 89 TYR CA C 13 56.800 0.3 A 89 TYR CB C 13 42.300 0.3 A 89 TYR N N 15 118.331 0.3 A 90 TYR H H 1 9.366 0.020 A 90 TYR HA H 1 5.216 0.020 A 90 TYR HBy H 1 3.040 0.020 A 90 TYR HBx H 1 2.720 0.020 A 90 TYR HDx H 1 6.843 0.020 A 90 TYR HDy H 1 6.843 0.020 A 90 TYR HE1 H 1 6.640 0.020 A 90 TYR HE2 H 1 6.640 0.020 A 90 TYR C C 13 174.900 0.3 A 90 TYR CA C 13 57.300 0.3 A 90 TYR CB C 13 42.800 0.3 A 90 TYR N N 15 121.035 0.3 A 91 CYS H H 1 7.609 0.020 A 91 CYS HA H 1 4.970 0.020 A 91 CYS HB2 H 1 1.814 0.020 A 91 CYS C C 13 173.300 0.3 A 91 CYS CA C 13 52.689 0.3 A 91 CYS CB C 13 44.837 0.3 A 91 CYS N N 15 117.277 0.3 A 92 GLN H H 1 8.580 0.020 A 92 GLN HA H 1 4.784 0.020 A 92 GLN HB2 H 1 1.280 0.020 A 92 GLN HB3 H 1 1.280 0.020 A 92 GLN HGx H 1 1.600 0.020 A 92 GLN HGy H 1 1.650 0.020 A 92 GLN C C 13 173.800 0.3 A 92 GLN CA C 13 54.500 0.3 A 92 GLN CB C 13 32.200 0.3 A 92 GLN CG C 13 32.400 0.3 A 92 GLN N N 15 121.452 0.3 A 93 SER H H 1 8.693 0.020 A 93 SER HA H 1 4.297 0.020 A 93 SER HBy H 1 3.844 0.020 A 93 SER HBx H 1 3.361 0.020 A 93 SER C C 13 173.800 0.3 A 93 SER CA C 13 55.255 0.3 A 93 SER CB C 13 63.852 0.3 A 93 SER N N 15 119.713 0.3 A 94 TYR H H 1 8.529 0.020 A 94 TYR HA H 1 5.560 0.020 A 94 TYR HBy H 1 2.861 0.020 A 94 TYR HBx H 1 2.343 0.020 A 94 TYR HD1 H 1 6.803 0.020 A 94 TYR HD2 H 1 6.803 0.020 A 94 TYR HE1 H 1 6.880 0.020 A 94 TYR HE2 H 1 6.880 0.020 A 94 TYR C C 13 174.100 0.3 A 94 TYR CA C 13 56.100 0.3 A 94 TYR CB C 13 42.767 0.3 A 94 TYR N N 15 122.271 0.3 A 95 ASP H H 1 8.647 0.020 A 95 ASP HA H 1 4.523 0.020 A 95 ASP HBy H 1 3.569 0.020 A 95 ASP HBx H 1 2.709 0.020 A 95 ASP C C 13 177.800 0.3 A 95 ASP CA C 13 51.351 0.3 A 95 ASP CB C 13 41.701 0.3 A 95 ASP N N 15 119.284 0.3 A 96 SER HA H 1 4.178 0.020 A 96 SER HB2 H 1 3.880 0.020 A 96 SER HB3 H 1 3.880 0.020 A 96 SER C C 13 175.400 0.3 A 96 SER CA C 13 60.800 0.3 A 96 SER CB C 13 62.900 0.3 A 97 SER H H 1 8.214 0.020 A 97 SER HA H 1 4.511 0.020 A 97 SER HBy H 1 3.690 0.020 A 97 SER HBx H 1 3.540 0.020 A 97 SER C C 13 173.000 0.3 A 97 SER CA C 13 57.292 0.3 A 97 SER CB C 13 62.560 0.3 A 97 SER N N 15 118.295 0.3 A 98 ASN H H 1 8.263 0.020 A 98 ASN HA H 1 4.149 0.020 A 98 ASN HBy H 1 2.963 0.020 A 98 ASN HBx H 1 2.686 0.020 A 98 ASN HD21 H 1 7.350 0.020 A 98 ASN HD22 H 1 6.522 0.020 A 98 ASN C C 13 174.300 0.3 A 98 ASN CA C 13 54.425 0.3 A 98 ASN CB C 13 37.018 0.3 A 98 ASN N N 15 114.863 0.3 A 98 ASN ND2 N 15 111.455 0.3 A 99 HIS H H 1 8.481 0.020 A 99 HIS HA H 1 5.010 0.020 A 99 HIS HBy H 1 3.320 0.020 A 99 HIS HBx H 1 3.150 0.020 A 99 HIS HD2 H 1 7.200 0.020 A 99 HIS HE1 H 1 8.530 0.020 A 99 HIS C C 13 175.100 0.3 A 99 HIS CA C 13 54.600 0.3 A 99 HIS CB C 13 28.700 0.3 A 99 HIS N N 15 117.233 0.3 A 100 VAL HA H 1 3.662 0.020 A 100 VAL HB H 1 1.920 0.020 A 100 VAL HGx% H 1 0.941 0.020 A 100 VAL HGy% H 1 0.576 0.020 A 100 VAL C C 13 175.900 0.3 A 100 VAL CA C 13 64.000 0.3 A 100 VAL CB C 13 32.500 0.3 A 100 VAL CG1 C 13 22.613 0.3 A 100 VAL CG2 C 13 21.453 0.3 A 101 VAL H H 1 8.032 0.020 A 101 VAL HA H 1 4.345 0.020 A 101 VAL HB H 1 1.585 0.020 A 101 VAL HGx% H 1 0.770 0.020 A 101 VAL HGy% H 1 0.845 0.020 A 101 VAL C C 13 173.800 0.3 A 101 VAL CA C 13 60.128 0.3 A 101 VAL CB C 13 35.500 0.3 A 101 VAL CG1 C 13 21.500 0.3 A 101 VAL CG2 C 13 21.174 0.3 A 101 VAL N N 15 125.832 0.3 A 102 PHE HA H 1 4.943 0.020 A 102 PHE HBy H 1 3.480 0.020 A 102 PHE HBx H 1 2.750 0.020 A 102 PHE HD1 H 1 6.860 0.020 A 102 PHE HD2 H 1 6.860 0.020 A 102 PHE HE1 H 1 6.760 0.020 A 102 PHE HE2 H 1 6.760 0.020 A 102 PHE C C 13 178.700 0.3 A 102 PHE CA C 13 57.600 0.3 A 102 PHE CB C 13 42.649 0.3 A 103 GLY H H 1 8.905 0.020 A 103 GLY HAy H 1 4.487 0.020 A 103 GLY HAx H 1 4.191 0.020 A 103 GLY C C 13 174.500 0.3 A 103 GLY CA C 13 44.215 0.3 A 103 GLY N N 15 109.492 0.3 A 104 GLY HAy H 1 4.153 0.020 A 104 GLY HAx H 1 3.993 0.020 A 104 GLY C C 13 175.100 0.3 A 104 GLY CA C 13 45.947 0.3 A 105 GLY H H 1 7.007 0.020 A 105 GLY HAy H 1 3.856 0.020 A 105 GLY HAx H 1 3.127 0.020 A 105 GLY C C 13 172.500 0.3 A 105 GLY CA C 13 44.714 0.3 A 105 GLY N N 15 106.330 0.3 A 106 THR H H 1 8.243 0.020 A 106 THR HA H 1 4.700 0.020 A 106 THR HB H 1 3.615 0.020 A 106 THR HG2% H 1 0.978 0.020 A 106 THR C C 13 173.600 0.3 A 106 THR CA C 13 61.100 0.3 A 106 THR CB C 13 72.354 0.3 A 106 THR CG2 C 13 22.553 0.3 A 106 THR N N 15 119.569 0.3 A 107 LYS H H 1 8.287 0.020 A 107 LYS HA H 1 4.749 0.020 A 107 LYS HB2 H 1 1.743 0.020 A 107 LYS HB3 H 1 1.743 0.020 A 107 LYS HD2 H 1 1.660 0.020 A 107 LYS HD3 H 1 1.660 0.020 A 107 LYS HE2 H 1 2.940 0.020 A 107 LYS HE3 H 1 2.940 0.020 A 107 LYS HG2 H 1 1.290 0.020 A 107 LYS HG3 H 1 1.290 0.020 A 107 LYS C C 13 174.900 0.3 A 107 LYS CA C 13 56.400 0.3 A 107 LYS CB C 13 32.200 0.3 A 107 LYS CD C 13 28.400 0.3 A 107 LYS CE C 13 41.800 0.3 A 107 LYS CG C 13 24.100 0.3 A 107 LYS N N 15 128.850 0.3 A 108 LEU H H 1 8.937 0.020 A 108 LEU HA H 1 5.342 0.020 A 108 LEU HBy H 1 2.416 0.020 A 108 LEU HBx H 1 1.256 0.020 A 108 LEU HDx% H 1 0.730 0.020 A 108 LEU HDy% H 1 0.699 0.020 A 108 LEU HG H 1 1.380 0.020 A 108 LEU C C 13 175.800 0.3 A 108 LEU CA C 13 54.100 0.3 A 108 LEU CB C 13 44.300 0.3 A 108 LEU CD1 C 13 26.200 0.3 A 108 LEU CD2 C 13 25.400 0.3 A 108 LEU CG C 13 28.500 0.3 A 108 LEU N N 15 133.771 0.3 A 109 THR H H 1 8.631 0.020 A 109 THR HA H 1 4.497 0.020 A 109 THR HB H 1 3.939 0.020 A 109 THR HG2% H 1 1.095 0.020 A 109 THR C C 13 172.500 0.3 A 109 THR CA C 13 60.847 0.3 A 109 THR CB C 13 70.441 0.3 A 109 THR CG2 C 13 21.538 0.3 A 109 THR N N 15 122.701 0.3 A 110 VAL H H 1 8.857 0.020 A 110 VAL HA H 1 4.816 0.020 A 110 VAL HB H 1 1.980 0.020 A 110 VAL HGx% H 1 0.738 0.020 A 110 VAL HGy% H 1 0.790 0.020 A 110 VAL C C 13 175.400 0.3 A 110 VAL CA C 13 61.263 0.3 A 110 VAL CB C 13 32.188 0.3 A 110 VAL CG1 C 13 21.200 0.3 A 110 VAL CG2 C 13 21.000 0.3 A 110 VAL N N 15 126.262 0.3 A 111 LEU H H 1 8.125 0.020 A 111 LEU HA H 1 3.992 0.020 A 111 LEU HBy H 1 1.480 0.020 A 111 LEU HBx H 1 1.380 0.020 A 111 LEU HDx% H 1 0.739 0.020 A 111 LEU HDy% H 1 0.746 0.020 A 111 LEU HG H 1 1.298 0.020 A 111 LEU C C 13 181.400 0.3 A 111 LEU CA C 13 56.900 0.3 A 111 LEU CB C 13 43.900 0.3 A 111 LEU CD1 C 13 24.697 0.3 A 111 LEU CD2 C 13 22.900 0.3 A 111 LEU CG C 13 27.300 0.3 A 111 LEU N N 15 134.143 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 HD21 A 25 SER HA 1.0 1.8 4.93 2 2 A 25 SER HA A 1 ASN HD22 1.0 1.8 4.81 3 3 A 1 ASN HD21 A 1 ASN HBy 1.0 1.8 5.55 4 4 A 1 ASN HD21 A 1 ASN HD22 1.0 1.8 4.51 5 5 A 1 ASN HD21 A 1 ASN HD22 1.0 1.8 4.50 6 6 A 1 ASN HD22 A 2 PHE HE% 1.0 1.8 4.98 7 7 A 2 PHE HBx A 25 SER HB2 1.0 1.8 5.02 8 8 A 2 PHE HBx A 25 SER HB3 1.0 1.8 5.03 9 9 A 3 MET H A 2 PHE HD% 1.0 1.8 4.81 10 10 A 3 MET H A 4 LEU HA 1.0 1.8 5.13 11 11 A 3 MET H A 25 SER HB3 1.0 1.8 5.18 12 12 A 3 MET H A 3 MET HA 1.0 1.8 4.90 13 13 A 3 MET H A 26 SER HBy 1.0 1.8 4.81 14 14 A 2 PHE HBx A 3 MET H 1.0 1.8 5.12 15 15 A 3 MET H A 25 SER H 1.0 1.8 4.94 16 16 A 3 MET H A 2 PHE HA 1.0 1.8 4.41 17 17 A 3 MET H A 3 MET HBx 1.0 1.8 4.86 18 18 A 3 MET H A 3 MET HGx 1.0 1.8 5.05 19 19 A 3 MET H A 4 LEU H 1.0 1.8 5.42 20 20 A 3 MET HA A 3 MET HBx 1.0 1.8 5.34 21 21 A 3 MET HBx A 3 MET HGy 1.0 1.8 5.43 22 21 A 3 MET HBx A 3 MET HGx 1.0 1.8 5.43 23 22 A 3 MET HA A 101 VAL HGx% 1.0 1.8 5.30 24 23 A 3 MET HBx A 3 MET HGy 1.0 1.8 5.20 25 23 A 3 MET HBx A 3 MET HGx 1.0 1.8 5.20 26 24 A 4 LEU H A 4 LEU HG 1.0 1.8 4.62 27 25 A 4 LEU H A 4 LEU HDy% 1.0 1.8 4.98 28 26 A 4 LEU H A 4 LEU HDx% 1.0 1.8 4.97 29 27 A 4 LEU HA A 4 LEU H 1.0 1.8 4.96 30 28 A 3 MET H A 4 LEU H 1.0 1.8 5.21 31 29 A 3 MET HBx A 4 LEU H 1.0 1.8 4.69 32 30 A 3 MET HA A 4 LEU H 1.0 1.8 4.28 33 31 A 4 LEU H A 3 MET HGx 1.0 1.8 4.95 34 32 A 4 LEU H A 4 LEU HBy 1.0 1.8 4.75 35 32 A 4 LEU H A 4 LEU HBx 1.0 1.8 4.75 36 33 A 4 LEU HA A 4 LEU HDx% 1.0 1.8 5.41 37 34 A 4 LEU HA A 3 MET HBx 1.0 1.8 5.49 38 35 A 4 LEU HDy% A 5 THR H 1.0 1.8 4.95 39 36 A 5 THR H A 24 GLY HAx 1.0 1.8 5.56 40 37 A 5 THR H A 5 THR HG2% 1.0 1.8 4.89 41 38 A 5 THR H A 23 THR H 1.0 1.8 4.91 42 39 A 5 THR H A 5 THR HB 1.0 1.8 4.65 43 40 A 4 LEU HA A 5 THR H 1.0 1.8 4.60 44 41 A 4 LEU H A 5 THR H 1.0 1.8 5.61 45 42 A 5 THR HG2% A 5 THR HB 1.0 1.8 4.98 46 43 A 5 THR HG2% A 5 THR HB 1.0 1.8 4.92 47 44 A 5 THR HG2% A 5 THR HB 1.0 1.8 4.65 48 45 A 5 THR HG2% A 5 THR HB 1.0 1.8 4.85 49 46 A 5 THR HB A 4 LEU HBy 1.0 1.8 4.92 50 46 A 4 LEU HBx A 5 THR HB 1.0 1.8 4.92 51 47 A 6 GLN HE22 A 89 TYR HBy 1.0 1.8 5.55 52 48 A 6 GLN HE21 A 20 ILE HG2% 1.0 1.8 5.30 53 49 A 89 TYR HBy A 6 GLN HE21 1.0 1.8 5.59 54 50 A 6 GLN HE21 A 6 GLN HGx 1.0 1.8 5.81 55 51 A 6 GLN HE21 A 89 TYR HD% 1.0 1.8 5.88 56 52 A 6 GLN HE21 A 106 THR H 1.0 1.8 5.78 57 53 A 6 GLN HE21 A 6 GLN HBx 1.0 1.8 5.40 58 54 A 6 GLN HE21 A 6 GLN HBy 1.0 1.8 5.42 59 55 A 6 GLN HE21 A 105 GLY HAy 1.0 1.8 5.64 60 56 A 6 GLN HE21 A 6 GLN HA 1.0 1.8 5.65 61 57 A 6 GLN HE22 A 6 GLN HBy 1.0 1.8 5.17 62 58 A 6 GLN HE22 A 106 THR H 1.0 1.8 5.45 63 59 A 6 GLN HE22 A 6 GLN HGx 1.0 1.8 5.76 64 60 A 6 GLN HE22 A 105 GLY HAx 1.0 1.8 5.69 65 61 A 6 GLN HE22 A 6 GLN HBx 1.0 1.8 5.43 66 62 A 6 GLN HE22 A 90 TYR HA 1.0 1.8 5.50 67 63 A 6 GLN H A 105 GLY H 1.0 1.8 5.85 68 64 A 6 GLN H A 5 THR HA 1.0 1.8 5.60 69 65 A 6 GLN HGx A 6 GLN H 1.0 1.8 5.71 70 66 A 5 THR HB A 6 GLN H 1.0 1.8 5.68 71 67 A 5 THR HG2% A 6 GLN H 1.0 1.8 5.12 72 68 A 6 GLN HA A 6 GLN H 1.0 1.8 5.67 73 69 A 6 GLN HBx A 6 GLN H 1.0 1.8 5.57 74 70 A 6 GLN HE22 A 105 GLY HAy 1.0 1.8 5.41 75 71 A 6 GLN HE22 A 6 GLN HE21 1.0 1.8 4.76 76 72 A 6 GLN HE22 A 20 ILE HG2% 1.0 1.8 5.37 77 73 A 6 GLN HGx A 6 GLN HBx 1.0 1.8 5.28 78 74 A 6 GLN HA A 7 PRO HDx 1.0 1.8 5.22 79 75 A 6 GLN HGx A 103 GLY HAx 1.0 1.8 5.09 80 76 A 6 GLN HBx A 90 TYR HA 1.0 1.8 5.44 81 77 A 6 GLN HGx A 103 GLY HAx 1.0 1.8 5.02 82 78 A 6 GLN HGx A 7 PRO HDx 1.0 1.8 5.36 83 79 A 6 GLN HGx A 103 GLY HAy 1.0 1.8 5.53 84 80 A 9 SER H A 10 VAL H 1.0 1.8 5.32 85 81 A 9 SER H A 7 PRO HBx 1.0 1.8 5.04 86 82 A 9 SER H A 9 SER HA 1.0 1.8 4.80 87 83 A 9 SER H A 9 SER HBx 1.0 1.8 4.64 88 83 A 9 SER H A 9 SER HBy 1.0 1.8 4.64 89 84 A 9 SER H A 7 PRO HBy 1.0 1.8 4.85 90 85 A 9 SER H A 7 PRO HA 1.0 1.8 4.73 91 86 A 9 SER H A 106 THR HG2% 1.0 1.8 5.08 92 87 A 9 SER H A 10 VAL HGy% 1.0 1.8 5.23 93 88 A 107 LYS HB3 A 9 SER HBx 1.0 1.8 5.24 94 88 A 9 SER HBx A 107 LYS HB2 1.0 1.8 5.24 95 89 A 9 SER HA A 106 THR HG2% 1.0 1.8 5.29 96 90 A 9 SER HA A 9 SER HBx 1.0 1.8 5.24 97 91 A 9 SER HA A 9 SER HBx 1.0 1.8 5.07 98 92 A 10 VAL H A 106 THR HG2% 1.0 1.8 4.88 99 93 A 10 VAL H A 10 VAL HGy% 1.0 1.8 4.71 100 94 A 10 VAL H A 108 LEU HDx% 1.0 1.8 5.25 101 95 A 10 VAL H A 107 LYS H 1.0 1.8 4.86 102 96 A 10 VAL H A 107 LYS HG2 1.0 1.8 5.44 103 96 A 10 VAL H A 107 LYS HG3 1.0 1.8 5.44 104 97 A 9 SER H A 10 VAL H 1.0 1.8 5.42 105 98 A 10 VAL H A 9 SER HA 1.0 1.8 4.43 106 99 A 10 VAL H A 9 SER HBx 1.0 1.8 4.64 107 99 A 10 VAL H A 9 SER HBy 1.0 1.8 4.64 108 100 A 10 VAL H A 10 VAL HB 1.0 1.8 4.88 109 101 A 10 VAL H A 10 VAL HA 1.0 1.8 4.86 110 102 A 10 VAL HA A 10 VAL HGx% 1.0 1.8 5.16 111 103 A 10 VAL HB A 10 VAL HA 1.0 1.8 5.32 112 104 A 10 VAL HB A 10 VAL HA 1.0 1.8 5.30 113 105 A 10 VAL HGy% A 10 VAL HA 1.0 1.8 5.22 114 106 A 10 VAL HA A 9 SER HBx 1.0 1.8 5.34 115 106 A 9 SER HBy A 10 VAL HA 1.0 1.8 5.34 116 107 A 9 SER HA A 10 VAL HGy% 1.0 1.8 4.95 117 108 A 10 VAL HGy% A 10 VAL HA 1.0 1.8 5.33 118 109 A 10 VAL HA A 11 SER H 1.0 1.8 4.10 119 110 A 11 SER H A 11 SER HBy 1.0 1.8 4.95 120 111 A 10 VAL H A 11 SER H 1.0 1.8 5.05 121 112 A 11 SER H A 111 LEU HDx% 1.0 1.8 5.07 122 113 A 10 VAL HB A 11 SER H 1.0 1.8 4.65 123 114 A 11 SER H A 11 SER HBx 1.0 1.8 4.76 124 115 A 10 VAL HGy% A 11 SER H 1.0 1.8 4.41 125 116 A 111 LEU HDx% A 11 SER HBx 1.0 1.8 4.98 126 117 A 11 SER HBx A 11 SER HA 1.0 1.8 4.90 127 118 A 11 SER HA A 109 THR HB 1.0 1.8 5.21 128 119 A 11 SER HA A 108 LEU HDx% 1.0 1.8 5.38 129 120 A 11 SER HBx A 11 SER HA 1.0 1.8 4.99 130 121 A 111 LEU HDx% A 11 SER HBx 1.0 1.8 4.81 131 122 A 11 SER HBx A 11 SER HA 1.0 1.8 4.92 132 123 A 11 SER HBx A 12 GLU HA 1.0 1.8 4.81 133 124 A 11 SER HBy A 11 SER HA 1.0 1.8 5.24 134 125 A 11 SER HBx A 111 LEU HBy 1.0 1.8 5.19 135 126 A 11 SER HBy A 109 THR HG2% 1.0 1.8 5.33 136 127 A 11 SER HBy A 11 SER HA 1.0 1.8 5.24 137 128 A 12 GLU H A 108 LEU HG 1.0 1.8 4.78 138 129 A 12 GLU H A 12 GLU HBx 1.0 1.8 4.86 139 130 A 12 GLU H A 110 VAL HA 1.0 1.8 4.76 140 131 A 12 GLU H A 109 THR H 1.0 1.8 5.06 141 132 A 111 LEU HDx% A 12 GLU H 1.0 1.8 4.45 142 133 A 12 GLU HA A 12 GLU H 1.0 1.8 4.58 143 134 A 12 GLU H A 12 GLU HGx 1.0 1.8 5.63 144 135 A 11 SER HBx A 12 GLU H 1.0 1.8 4.69 145 136 A 12 GLU H A 13 SER H 1.0 1.8 5.24 146 137 A 109 THR HG2% A 12 GLU H 1.0 1.8 5.29 147 138 A 109 THR HB A 12 GLU H 1.0 1.8 5.07 148 139 A 12 GLU HGx A 18 VAL HGx% 1.0 1.8 5.20 149 140 A 12 GLU HBx A 12 GLU HGx 1.0 1.8 5.37 150 141 A 12 GLU HGx A 16 LYS HBy 1.0 1.8 5.39 151 142 A 10 VAL HGx% A 12 GLU HBy 1.0 1.8 4.92 152 143 A 12 GLU HBx A 81 LEU HDx% 1.0 1.8 5.26 153 144 A 12 GLU HBx A 12 GLU HGx 1.0 1.8 5.40 154 145 A 12 GLU HA A 12 GLU HBx 1.0 1.8 5.32 155 146 A 12 GLU HGx A 16 LYS HBx 1.0 1.8 5.44 156 147 A 12 GLU HBx A 12 GLU HGx 1.0 1.8 5.29 157 148 A 12 GLU HGx A 81 LEU HDx% 1.0 1.8 5.25 158 149 A 12 GLU HBy A 108 LEU HDx% 1.0 1.8 4.96 159 150 A 12 GLU HBx A 81 LEU HDx% 1.0 1.8 5.08 160 151 A 12 GLU HBx A 81 LEU HDx% 1.0 1.8 5.35 161 152 A 13 SER H A 13 SER HBx 1.0 1.8 4.54 162 153 A 12 GLU HGx A 13 SER H 1.0 1.8 4.88 163 154 A 13 SER H A 111 LEU HBx 1.0 1.8 5.04 164 155 A 13 SER H A 13 SER HA 1.0 1.8 4.89 165 156 A 13 SER H A 16 LYS HBx 1.0 1.8 5.19 166 157 A 13 SER H A 13 SER HBy 1.0 1.8 4.61 167 158 A 12 GLU HBx A 13 SER H 1.0 1.8 4.60 168 159 A 12 GLU HA A 13 SER H 1.0 1.8 4.35 169 160 A 13 SER H A 12 GLU HGy 1.0 1.8 4.75 170 161 A 12 GLU H A 13 SER H 1.0 1.8 5.22 171 162 A 111 LEU HDx% A 13 SER H 1.0 1.8 4.70 172 163 A 13 SER HBx A 13 SER HA 1.0 1.8 5.02 173 164 A 13 SER HA A 13 SER HBy 1.0 1.8 4.95 174 165 A 13 SER HBy A 16 LYS HA 1.0 1.8 5.29 175 166 A 14 PRO HBy A 14 PRO HGx 1.0 1.8 5.37 176 167 A 15 GLY H A 81 LEU HDy% 1.0 1.8 5.01 177 168 A 15 GLY H A 81 LEU H 1.0 1.8 5.37 178 169 A 15 GLY H A 82 LYS HBx 1.0 1.8 5.40 179 170 A 15 GLY H A 80 GLY HAy 1.0 1.8 5.23 180 171 A 15 GLY H A 82 LYS HA 1.0 1.8 5.55 181 172 A 15 GLY H A 81 LEU HG 1.0 1.8 4.69 182 173 A 15 GLY H A 15 GLY HAx 1.0 1.8 4.69 183 174 A 15 GLY H A 14 PRO HA 1.0 1.8 4.52 184 175 A 16 LYS HBy A 15 GLY H 1.0 1.8 5.05 185 176 A 15 GLY H A 82 LYS HBy 1.0 1.8 4.97 186 177 A 15 GLY H A 16 LYS H 1.0 1.8 4.99 187 178 A 15 GLY H A 15 GLY HAy 1.0 1.8 4.71 188 179 A 16 LYS H A 81 LEU HDy% 1.0 1.8 5.33 189 180 A 16 LYS H A 16 LYS HGy 1.0 1.8 5.08 190 181 A 13 SER HBx A 16 LYS H 1.0 1.8 5.78 191 182 A 81 LEU HG A 16 LYS H 1.0 1.8 4.89 192 183 A 14 PRO HA A 16 LYS H 1.0 1.8 5.24 193 184 A 15 GLY HAx A 16 LYS H 1.0 1.8 5.33 194 185 A 16 LYS H A 15 GLY HAy 1.0 1.8 5.30 195 186 A 15 GLY H A 16 LYS H 1.0 1.8 5.21 196 187 A 16 LYS HBx A 16 LYS H 1.0 1.8 4.85 197 188 A 16 LYS H A 17 THR H 1.0 1.8 5.42 198 189 A 16 LYS HA A 16 LYS H 1.0 1.8 4.98 199 190 A 16 LYS HDy A 16 LYS HE2 1.0 1.8 4.90 200 190 A 16 LYS HDx A 16 LYS HE2 1.0 1.8 4.90 201 190 A 16 LYS HE3 A 16 LYS HDx 1.0 1.8 4.90 202 190 A 16 LYS HDy A 16 LYS HE3 1.0 1.8 4.90 203 191 A 13 SER HBy A 16 LYS HA 1.0 1.8 5.02 204 192 A 12 GLU HGy A 16 LYS HA 1.0 1.8 5.26 205 193 A 17 THR H A 17 THR HG2% 1.0 1.8 5.06 206 194 A 17 THR H A 81 LEU HDy% 1.0 1.8 5.65 207 195 A 16 LYS HGy A 17 THR H 1.0 1.8 5.07 208 196 A 17 THR H A 16 LYS HE2 1.0 1.8 5.88 209 196 A 17 THR H A 16 LYS HE3 1.0 1.8 5.88 210 197 A 16 LYS HBx A 17 THR H 1.0 1.8 4.75 211 198 A 16 LYS HA A 17 THR H 1.0 1.8 4.73 212 199 A 17 THR H A 17 THR HB 1.0 1.8 4.71 213 200 A 16 LYS H A 17 THR H 1.0 1.8 5.49 214 201 A 17 THR H A 18 VAL H 1.0 1.8 5.84 215 202 A 17 THR HG2% A 17 THR HA 1.0 1.8 4.96 216 203 A 17 THR HB A 17 THR HA 1.0 1.8 5.43 217 204 A 17 THR HG2% A 17 THR HB 1.0 1.8 4.67 218 205 A 17 THR HG2% A 17 THR HA 1.0 1.8 4.97 219 206 A 17 THR HG2% A 17 THR HB 1.0 1.8 4.79 220 207 A 17 THR HB A 18 VAL HA 1.0 1.8 5.42 221 208 A 17 THR HA A 81 LEU HDy% 1.0 1.8 5.19 222 209 A 18 VAL H A 79 SER HBx 1.0 1.8 5.29 223 210 A 18 VAL HGx% A 18 VAL H 1.0 1.8 4.59 224 211 A 17 THR H A 18 VAL H 1.0 1.8 5.16 225 212 A 18 VAL H A 77 THR HA 1.0 1.8 5.71 226 213 A 18 VAL H A 18 VAL HB 1.0 1.8 5.06 227 214 A 18 VAL H A 78 ILE HB 1.0 1.8 5.29 228 215 A 18 VAL H A 78 ILE HG12 1.0 1.8 4.48 229 215 A 18 VAL H A 78 ILE HG13 1.0 1.8 4.48 230 216 A 18 VAL H A 18 VAL HA 1.0 1.8 4.88 231 217 A 17 THR HB A 18 VAL H 1.0 1.8 5.15 232 218 A 18 VAL H A 79 SER HA 1.0 1.8 5.36 233 219 A 18 VAL HGx% A 18 VAL HB 1.0 1.8 5.04 234 220 A 18 VAL HGx% A 18 VAL HB 1.0 1.8 5.09 235 221 A 18 VAL HGx% A 18 VAL HA 1.0 1.8 5.30 236 222 A 18 VAL HA A 18 VAL HB 1.0 1.8 5.34 237 223 A 18 VAL HGx% A 18 VAL HB 1.0 1.8 4.99 238 224 A 18 VAL HGx% A 78 ILE HD1% 1.0 1.8 5.12 239 225 A 18 VAL HA A 18 VAL HGy% 1.0 1.8 5.42 240 226 A 18 VAL HGx% A 19 THR H 1.0 1.8 4.38 241 227 A 18 VAL HB A 19 THR H 1.0 1.8 4.66 242 228 A 18 VAL HA A 19 THR H 1.0 1.8 4.14 243 229 A 19 THR H A 19 THR HA 1.0 1.8 4.89 244 230 A 18 VAL H A 19 THR H 1.0 1.8 5.47 245 231 A 19 THR H A 20 ILE H 1.0 1.8 5.44 246 232 A 18 VAL HGy% A 19 THR H 1.0 1.8 4.61 247 233 A 19 THR HB A 19 THR HG2% 1.0 1.8 4.83 248 234 A 19 THR HA A 19 THR HG2% 1.0 1.8 5.00 249 235 A 19 THR HA A 19 THR HB 1.0 1.8 5.25 250 236 A 19 THR HG2% A 75 SER HB2 1.0 1.8 5.28 251 236 A 19 THR HG2% A 75 SER HB3 1.0 1.8 5.28 252 237 A 19 THR HA A 19 THR HG2% 1.0 1.8 5.23 253 238 A 20 ILE H A 78 ILE H 1.0 1.8 5.44 254 239 A 20 ILE HG2% A 20 ILE H 1.0 1.8 4.98 255 240 A 20 ILE H A 76 LEU HDy% 1.0 1.8 5.09 256 241 A 77 THR HA A 20 ILE H 1.0 1.8 4.85 257 242 A 20 ILE H A 76 LEU HDx% 1.0 1.8 5.25 258 243 A 19 THR H A 20 ILE H 1.0 1.8 5.39 259 244 A 20 ILE H A 76 LEU HG 1.0 1.8 4.84 260 245 A 20 ILE H A 20 ILE HG1x 1.0 1.8 4.56 261 246 A 20 ILE H A 76 LEU H 1.0 1.8 5.30 262 247 A 19 THR HA A 20 ILE H 1.0 1.8 4.49 263 248 A 20 ILE H A 20 ILE HA 1.0 1.8 5.09 264 249 A 20 ILE H A 20 ILE HB 1.0 1.8 4.88 265 250 A 20 ILE H A 75 SER HB2 1.0 1.8 5.42 266 250 A 20 ILE H A 75 SER HB3 1.0 1.8 5.42 267 251 A 20 ILE H A 21 SER H 1.0 1.8 5.78 268 252 A 20 ILE H A 75 SER HA 1.0 1.8 5.80 269 253 A 20 ILE H A 76 LEU HBx 1.0 1.8 5.60 270 254 A 20 ILE HG1x A 20 ILE HA 1.0 1.8 5.14 271 255 A 76 LEU HG A 20 ILE HA 1.0 1.8 5.40 272 256 A 20 ILE HA A 21 SER H 1.0 1.8 4.87 273 257 A 21 SER H A 21 SER HA 1.0 1.8 5.63 274 258 A 21 SER H A 21 SER HBx 1.0 1.8 5.05 275 258 A 21 SER H A 21 SER HBy 1.0 1.8 5.05 276 259 A 21 SER HA A 21 SER HBx 1.0 1.8 5.38 277 259 A 21 SER HA A 21 SER HBy 1.0 1.8 5.38 278 260 A 22 CYS H A 74 ALA H 1.0 1.8 5.75 279 261 A 22 CYS H A 21 SER HBx 1.0 1.8 5.36 280 261 A 21 SER HBy A 22 CYS H 1.0 1.8 5.36 281 262 A 22 CYS H A 22 CYS HBy 1.0 1.8 5.63 282 263 A 75 SER HA A 22 CYS H 1.0 1.8 5.72 283 264 A 21 SER HA A 22 CYS H 1.0 1.8 5.31 284 265 A 22 CYS H A 22 CYS HA 1.0 1.8 5.83 285 266 A 22 CYS H A 22 CYS HBx 1.0 1.8 5.73 286 267 A 22 CYS H A 23 THR HA 1.0 1.8 5.90 287 268 A 5 THR HG2% A 23 THR H 1.0 1.8 5.04 288 269 A 4 LEU HDy% A 23 THR H 1.0 1.8 5.40 289 270 A 23 THR H A 73 SER HBy 1.0 1.8 5.14 290 271 A 23 THR H A 6 GLN HA 1.0 1.8 5.36 291 272 A 23 THR H A 22 CYS HBy 1.0 1.8 5.11 292 273 A 23 THR H A 22 CYS HA 1.0 1.8 4.44 293 274 A 23 THR H A 23 THR HB 1.0 1.8 4.44 294 275 A 5 THR H A 23 THR H 1.0 1.8 4.83 295 276 A 23 THR H A 23 THR HA 1.0 1.8 4.79 296 277 A 23 THR H A 22 CYS HBx 1.0 1.8 5.11 297 278 A 23 THR H A 6 GLN HGx 1.0 1.8 5.52 298 279 A 23 THR H A 6 GLN HBx 1.0 1.8 5.63 299 280 A 23 THR HB A 23 THR HG2% 1.0 1.8 5.27 300 281 A 23 THR HB A 23 THR HG2% 1.0 1.8 4.67 301 282 A 23 THR HG2% A 73 SER HBx 1.0 1.8 5.27 302 282 A 23 THR HG2% A 73 SER HBy 1.0 1.8 5.27 303 283 A 23 THR HB A 23 THR HG2% 1.0 1.8 5.35 304 284 A 23 THR HB A 23 THR HG2% 1.0 1.8 5.36 305 285 A 23 THR HB A 23 THR HG2% 1.0 1.8 4.82 306 286 A 23 THR HG2% A 73 SER HBx 1.0 1.8 5.28 307 287 A 23 THR HG2% A 73 SER HA 1.0 1.8 5.35 308 288 A 4 LEU HDy% A 24 GLY H 1.0 1.8 5.17 309 289 A 24 GLY H A 29 ILE HD1% 1.0 1.8 4.78 310 290 A 24 GLY HAx A 24 GLY H 1.0 1.8 4.75 311 291 A 73 SER HBy A 24 GLY H 1.0 1.8 4.91 312 292 A 23 THR HB A 24 GLY H 1.0 1.8 5.10 313 293 A 25 SER H A 24 GLY H 1.0 1.8 5.22 314 294 A 73 SER HA A 24 GLY H 1.0 1.8 4.91 315 295 A 24 GLY H A 24 GLY HAy 1.0 1.8 4.86 316 296 A 23 THR HA A 24 GLY H 1.0 1.8 4.54 317 297 A 24 GLY H A 72 ASN HBx 1.0 1.8 5.75 318 298 A 24 GLY H A 72 ASN HD21 1.0 1.8 5.68 319 299 A 4 LEU HDy% A 24 GLY HAy 1.0 1.8 5.37 320 300 A 25 SER H A 24 GLY HAy 1.0 1.8 4.53 321 301 A 25 SER H A 3 MET HGx 1.0 1.8 5.61 322 302 A 25 SER H A 29 ILE HD1% 1.0 1.8 5.05 323 303 A 25 SER H A 4 LEU HDy% 1.0 1.8 4.89 324 304 A 25 SER H A 5 THR H 1.0 1.8 5.45 325 305 A 25 SER H A 24 GLY H 1.0 1.8 5.45 326 306 A 3 MET H A 25 SER H 1.0 1.8 5.05 327 307 A 25 SER H A 3 MET HBx 1.0 1.8 5.91 328 308 A 25 SER H A 25 SER HB3 1.0 1.8 4.90 329 309 A 2 PHE HD% A 25 SER H 1.0 1.8 5.40 330 310 A 4 LEU HA A 25 SER H 1.0 1.8 4.60 331 311 A 26 SER HBy A 25 SER H 1.0 1.8 5.27 332 312 A 25 SER HA A 25 SER HB2 1.0 1.8 5.39 333 313 A 2 PHE HA A 25 SER HB3 1.0 1.8 4.93 334 314 A 29 ILE HB A 25 SER HB3 1.0 1.8 5.21 335 315 A 25 SER HA A 2 PHE HBy 1.0 1.8 5.06 336 316 A 25 SER HA A 25 SER HB3 1.0 1.8 5.01 337 316 A 25 SER HA A 25 SER HB2 1.0 1.8 5.01 338 317 A 26 SER H A 1 ASN HBx 1.0 1.8 5.44 339 318 A 26 SER H A 26 SER HBx 1.0 1.8 5.00 340 319 A 26 SER H A 72 ASN HD22 1.0 1.8 5.85 341 320 A 26 SER H A 3 MET HGy 1.0 1.8 5.51 342 321 A 27 GLY H A 27 GLY HAx 1.0 1.8 4.52 343 322 A 25 SER HA A 27 GLY H 1.0 1.8 4.95 344 323 A 27 GLY H A 27 GLY HAy 1.0 1.8 4.36 345 324 A 2 PHE HD% A 27 GLY H 1.0 1.8 5.23 346 325 A 27 GLY HAy A 72 ASN HBy 1.0 1.8 4.98 347 326 A 27 GLY HAy A 72 ASN HA 1.0 1.8 5.38 348 327 A 27 GLY HAy A 72 ASN HBy 1.0 1.8 4.96 349 328 A 2 PHE HE% A 28 SER H 1.0 1.8 5.49 350 329 A 28 SER H A 28 SER HA 1.0 1.8 5.35 351 330 A 72 ASN HD22 A 28 SER H 1.0 1.8 5.22 352 331 A 72 ASN HBy A 28 SER HA 1.0 1.8 5.34 353 332 A 29 ILE H A 29 ILE HG2% 1.0 1.8 4.69 354 333 A 29 ILE H A 31 SER H 1.0 1.8 5.89 355 334 A 29 ILE H A 29 ILE HG1y 1.0 1.8 5.79 356 335 A 28 SER HA A 29 ILE H 1.0 1.8 4.64 357 336 A 29 ILE H A 29 ILE HG1x 1.0 1.8 5.21 358 337 A 29 ILE H A 29 ILE HA 1.0 1.8 5.12 359 338 A 29 ILE H A 30 ALA H 1.0 1.8 4.99 360 339 A 29 ILE HB A 29 ILE H 1.0 1.8 4.91 361 340 A 29 ILE H A 28 SER HB2 1.0 1.8 5.02 362 340 A 29 ILE H A 28 SER HB3 1.0 1.8 5.02 363 341 A 72 ASN HD22 A 29 ILE H 1.0 1.8 5.88 364 342 A 72 ASN HA A 29 ILE H 1.0 1.8 5.76 365 343 A 29 ILE HG1x A 29 ILE HD1% 1.0 1.8 5.14 366 344 A 25 SER HB2 A 29 ILE HA 1.0 1.8 5.11 367 345 A 25 SER HB2 A 29 ILE HA 1.0 1.8 4.90 368 346 A 25 SER HB2 A 29 ILE HG1x 1.0 1.8 5.38 369 347 A 29 ILE HG1y A 67 ILE HG1x 1.0 1.8 5.23 370 348 A 29 ILE HA A 30 ALA H 1.0 1.8 5.17 371 349 A 31 SER H A 30 ALA H 1.0 1.8 4.66 372 350 A 30 ALA H A 30 ALA HA 1.0 1.8 4.71 373 351 A 30 ALA H A 28 SER HB2 1.0 1.8 4.81 374 351 A 30 ALA H A 28 SER HB3 1.0 1.8 4.81 375 352 A 29 ILE HG1y A 30 ALA H 1.0 1.8 5.21 376 353 A 29 ILE H A 30 ALA H 1.0 1.8 4.99 377 354 A 29 ILE HB A 30 ALA H 1.0 1.8 5.15 378 355 A 29 ILE HG1x A 30 ALA H 1.0 1.8 4.32 379 356 A 28 SER HA A 30 ALA H 1.0 1.8 5.15 380 357 A 29 ILE HG2% A 30 ALA H 1.0 1.8 4.50 381 358 A 30 ALA HA A 30 ALA HB% 1.0 1.8 4.79 382 359 A 30 ALA HB% A 69 SER HBy 1.0 1.8 5.26 383 359 A 30 ALA HB% A 69 SER HBx 1.0 1.8 5.26 384 360 A 30 ALA HB% A 69 SER HBy 1.0 1.8 5.20 385 361 A 30 ALA HA A 32 ASN HBy 1.0 1.8 5.16 386 362 A 29 ILE HG2% A 31 SER H 1.0 1.8 4.96 387 363 A 31 SER H A 31 SER HB2 1.0 1.8 4.23 388 363 A 31 SER H A 31 SER HB3 1.0 1.8 4.23 389 364 A 31 SER H A 29 ILE HA 1.0 1.8 5.17 390 365 A 31 SER H A 30 ALA H 1.0 1.8 4.58 391 366 A 31 SER H A 31 SER HA 1.0 1.8 4.50 392 367 A 31 SER H A 30 ALA HA 1.0 1.8 4.78 393 368 A 31 SER H A 29 ILE HG1x 1.0 1.8 4.61 394 369 A 2 PHE HE% A 31 SER H 1.0 1.8 4.63 395 370 A 32 ASN HD21 A 32 ASN HA 1.0 1.8 5.71 396 371 A 31 SER HA A 32 ASN HD21 1.0 1.8 5.81 397 372 A 32 ASN HD21 A 96 SER HA 1.0 1.8 5.58 398 373 A 32 ASN HD21 A 94 TYR HBx 1.0 1.8 5.47 399 374 A 32 ASN HD21 A 94 TYR HBy 1.0 1.8 5.68 400 375 A 32 ASN HD21 A 32 ASN HBx 1.0 1.8 4.78 401 376 A 32 ASN HD21 A 31 SER HB2 1.0 1.8 5.04 402 376 A 31 SER HB3 A 32 ASN HD21 1.0 1.8 5.04 403 377 A 96 SER HA A 32 ASN HD22 1.0 1.8 5.36 404 378 A 94 TYR HBx A 32 ASN HD22 1.0 1.8 5.42 405 379 A 32 ASN HBx A 32 ASN HD22 1.0 1.8 4.82 406 380 A 32 ASN HD22 A 31 SER HB2 1.0 1.8 5.04 407 380 A 31 SER HB3 A 32 ASN HD22 1.0 1.8 5.04 408 381 A 32 ASN HA A 32 ASN HD22 1.0 1.8 5.73 409 382 A 32 ASN H A 34 VAL HGy% 1.0 1.8 5.33 410 383 A 32 ASN H A 31 SER HB2 1.0 1.8 4.68 411 383 A 31 SER HB3 A 32 ASN H 1.0 1.8 4.68 412 384 A 30 ALA HA A 32 ASN H 1.0 1.8 5.07 413 385 A 31 SER HA A 32 ASN H 1.0 1.8 4.90 414 386 A 32 ASN HA A 32 ASN H 1.0 1.8 4.74 415 387 A 32 ASN HD22 A 32 ASN H 1.0 1.8 4.88 416 388 A 32 ASN HBx A 32 ASN H 1.0 1.8 4.78 417 389 A 29 ILE HG1x A 32 ASN H 1.0 1.8 5.50 418 390 A 32 ASN HBy A 33 TYR H 1.0 1.8 5.71 419 391 A 32 ASN HA A 33 TYR H 1.0 1.8 5.27 420 392 A 33 TYR H A 33 TYR HBy 1.0 1.8 4.98 421 393 A 34 VAL H A 51 GLU HA 1.0 1.8 5.68 422 394 A 34 VAL H A 52 ASP HA 1.0 1.8 5.65 423 395 A 34 VAL HGy% A 34 VAL H 1.0 1.8 5.11 424 396 A 34 VAL H A 33 TYR HD% 1.0 1.8 5.34 425 397 A 34 VAL H A 34 VAL HA 1.0 1.8 5.76 426 398 A 34 VAL H A 33 TYR HA 1.0 1.8 5.07 427 399 A 34 VAL H A 34 VAL HB 1.0 1.8 5.35 428 400 A 34 VAL HB A 34 VAL HGx% 1.0 1.8 5.14 429 401 A 34 VAL HB A 67 ILE HD1% 1.0 1.8 5.36 430 402 A 34 VAL HGy% A 34 VAL HB 1.0 1.8 4.97 431 403 A 34 VAL HGy% A 34 VAL HB 1.0 1.8 5.23 432 404 A 34 VAL HGy% A 34 VAL HA 1.0 1.8 5.40 433 405 A 34 VAL HB A 34 VAL HGx% 1.0 1.8 5.20 434 406 A 34 VAL HGx% A 74 ALA HB% 1.0 1.8 4.96 435 407 A 34 VAL HB A 93 SER HA 1.0 1.8 5.34 436 408 A 34 VAL HGx% A 74 ALA HB% 1.0 1.8 4.91 437 409 A 34 VAL HGx% A 91 CYS HBy 1.0 1.8 5.45 438 410 A 35 GLN H A 93 SER HBy 1.0 1.8 5.60 439 411 A 35 GLN H A 35 GLN HB2 1.0 1.8 5.02 440 411 A 35 GLN H A 35 GLN HB3 1.0 1.8 5.02 441 412 A 35 GLN H A 35 GLN HG2 1.0 1.8 5.44 442 412 A 35 GLN H A 35 GLN HG3 1.0 1.8 5.44 443 413 A 35 GLN H A 94 TYR HD% 1.0 1.8 5.41 444 414 A 93 SER HA A 35 GLN H 1.0 1.8 5.33 445 415 A 35 GLN H A 36 TRP H 1.0 1.8 5.84 446 416 A 34 VAL HGy% A 35 GLN H 1.0 1.8 4.88 447 417 A 34 VAL HA A 35 GLN H 1.0 1.8 4.66 448 418 A 35 GLN H A 35 GLN HA 1.0 1.8 5.21 449 419 A 34 VAL HB A 35 GLN H 1.0 1.8 5.03 450 420 A 34 VAL H A 35 GLN H 1.0 1.8 5.77 451 421 A 35 GLN H A 92 GLN HGx 1.0 1.8 5.44 452 421 A 35 GLN H A 92 GLN HGy 1.0 1.8 5.44 453 422 A 35 GLN HB2 A 35 GLN HG2 1.0 1.8 5.34 454 422 A 35 GLN HB3 A 35 GLN HG2 1.0 1.8 5.34 455 422 A 35 GLN HG3 A 35 GLN HB2 1.0 1.8 5.34 456 422 A 35 GLN HB3 A 35 GLN HG3 1.0 1.8 5.34 457 423 A 35 GLN HA A 35 GLN HB2 1.0 1.8 5.41 458 423 A 35 GLN HB3 A 35 GLN HA 1.0 1.8 5.41 459 424 A 34 VAL HA A 35 GLN HG2 1.0 1.8 5.48 460 424 A 34 VAL HA A 35 GLN HG3 1.0 1.8 5.48 461 425 A 35 GLN HG2 A 92 GLN HGx 1.0 1.8 5.27 462 425 A 35 GLN HG3 A 92 GLN HGx 1.0 1.8 5.27 463 425 A 92 GLN HGy A 35 GLN HG2 1.0 1.8 5.27 464 425 A 35 GLN HG3 A 92 GLN HGy 1.0 1.8 5.27 465 426 A 36 TRP H A 49 ILE HG2% 1.0 1.8 5.09 466 427 A 36 TRP H A 35 GLN HB2 1.0 1.8 5.36 467 427 A 35 GLN HB3 A 36 TRP H 1.0 1.8 5.36 468 428 A 36 TRP H A 92 GLN HB2 1.0 1.8 5.91 469 428 A 36 TRP H A 92 GLN HB3 1.0 1.8 5.91 470 429 A 36 TRP H A 49 ILE HB 1.0 1.8 5.26 471 430 A 36 TRP H A 50 TYR HA 1.0 1.8 5.43 472 431 A 36 TRP H A 37 TYR H 1.0 1.8 5.90 473 432 A 36 TRP H A 36 TRP HBy 1.0 1.8 5.35 474 433 A 36 TRP H A 36 TRP HA 1.0 1.8 5.54 475 434 A 36 TRP H A 36 TRP HBx 1.0 1.8 5.21 476 435 A 36 TRP H A 35 GLN HA 1.0 1.8 4.91 477 436 A 36 TRP H A 36 TRP HD1 1.0 1.8 5.42 478 437 A 36 TRP H A 49 ILE H 1.0 1.8 5.30 479 438 A 35 GLN H A 36 TRP H 1.0 1.8 5.83 480 439 A 36 TRP H A 35 GLN HG2 1.0 1.8 5.48 481 439 A 35 GLN HG3 A 36 TRP H 1.0 1.8 5.48 482 440 A 49 ILE HB A 36 TRP HE1 1.0 1.8 5.42 483 441 A 36 TRP HE1 A 48 VAL HB 1.0 1.8 4.89 484 442 A 36 TRP HE1 A 49 ILE HG1x 1.0 1.8 5.15 485 443 A 49 ILE HG2% A 36 TRP HE1 1.0 1.8 5.06 486 444 A 36 TRP HE1 A 48 VAL HGx% 1.0 1.8 4.89 487 445 A 76 LEU HBx A 36 TRP HE1 1.0 1.8 5.76 488 446 A 36 TRP HD1 A 36 TRP HE1 1.0 1.8 4.66 489 447 A 36 TRP HE1 A 65 GLY HAy 1.0 1.8 5.44 490 448 A 36 TRP HE1 A 49 ILE HG1y 1.0 1.8 5.75 491 449 A 36 TRP HE1 A 65 GLY HAx 1.0 1.8 5.94 492 450 A 76 LEU HDx% A 36 TRP HE1 1.0 1.8 5.63 493 451 A 36 TRP HE1 A 66 SER H 1.0 1.8 5.83 494 452 A 36 TRP HE1 A 64 SER HA 1.0 1.8 5.57 495 453 A 36 TRP HA A 92 GLN HGx 1.0 1.8 5.38 496 453 A 92 GLN HGy A 36 TRP HA 1.0 1.8 5.38 497 454 A 37 TYR H A 48 VAL HGy% 1.0 1.8 5.42 498 455 A 37 TYR H A 37 TYR HBy 1.0 1.8 5.08 499 456 A 37 TYR H A 90 TYR H 1.0 1.8 5.36 500 457 A 37 TYR H A 36 TRP HBy 1.0 1.8 5.35 501 458 A 36 TRP H A 37 TYR H 1.0 1.8 5.89 502 459 A 37 TYR H A 37 TYR HBx 1.0 1.8 5.32 503 460 A 37 TYR H A 91 CYS HA 1.0 1.8 5.51 504 461 A 37 TYR H A 37 TYR HD% 1.0 1.8 5.07 505 462 A 37 TYR H A 36 TRP HA 1.0 1.8 4.77 506 463 A 37 TYR H A 92 GLN HGx 1.0 1.8 5.75 507 463 A 92 GLN HGy A 37 TYR H 1.0 1.8 5.75 508 464 A 37 TYR H A 49 ILE H 1.0 1.8 5.51 509 465 A 48 VAL HGy% A 37 TYR HA 1.0 1.8 5.34 510 466 A 37 TYR HA A 46 THR HB 1.0 1.8 5.33 511 467 A 48 VAL HGy% A 37 TYR HA 1.0 1.8 5.32 512 468 A 38 GLN HE22 A 108 LEU HDy% 1.0 1.8 5.59 513 469 A 38 GLN HE21 A 108 LEU HDy% 1.0 1.8 5.47 514 470 A 38 GLN HE21 A 38 GLN HB2 1.0 1.8 5.05 515 470 A 38 GLN HE21 A 38 GLN HB3 1.0 1.8 5.05 516 471 A 38 GLN HE21 A 38 GLN HA 1.0 1.8 5.75 517 472 A 38 GLN HE22 A 38 GLN HB2 1.0 1.8 5.05 518 472 A 38 GLN HE22 A 38 GLN HB3 1.0 1.8 5.05 519 473 A 38 GLN HE22 A 85 ASP HA 1.0 1.8 5.20 520 474 A 38 GLN HE22 A 36 TRP HZ3 1.0 1.8 5.38 521 475 A 37 TYR H A 38 GLN H 1.0 1.8 5.77 522 476 A 46 THR HB A 38 GLN H 1.0 1.8 5.35 523 477 A 38 GLN H A 46 THR H 1.0 1.8 5.31 524 478 A 37 TYR HBx A 38 GLN H 1.0 1.8 5.57 525 479 A 37 TYR HA A 38 GLN H 1.0 1.8 4.91 526 480 A 38 GLN HA A 38 GLN H 1.0 1.8 5.45 527 481 A 48 VAL HGy% A 38 GLN H 1.0 1.8 4.75 528 482 A 38 GLN H A 38 GLN HG2 1.0 1.8 5.23 529 482 A 38 GLN H A 38 GLN HG3 1.0 1.8 5.23 530 483 A 38 GLN H A 38 GLN HB2 1.0 1.8 5.50 531 483 A 38 GLN HB3 A 38 GLN H 1.0 1.8 5.50 532 484 A 37 TYR HBy A 38 GLN H 1.0 1.8 5.29 533 485 A 38 GLN HE21 A 85 ASP HA 1.0 1.8 5.29 534 486 A 38 GLN HE21 A 36 TRP HZ3 1.0 1.8 5.45 535 487 A 48 VAL HGy% A 38 GLN HB2 1.0 1.8 5.33 536 487 A 48 VAL HGy% A 38 GLN HB3 1.0 1.8 5.33 537 488 A 39 GLN HE21 A 39 GLN HB2 1.0 1.8 5.71 538 488 A 39 GLN HE21 A 39 GLN HB3 1.0 1.8 5.71 539 489 A 39 GLN H A 90 TYR HE% 1.0 1.8 5.52 540 490 A 39 GLN H A 39 GLN HG2 1.0 1.8 4.98 541 490 A 39 GLN H A 39 GLN HG3 1.0 1.8 4.98 542 491 A 39 GLN H A 38 GLN HB2 1.0 1.8 4.92 543 491 A 38 GLN HB3 A 39 GLN H 1.0 1.8 4.92 544 492 A 38 GLN H A 39 GLN H 1.0 1.8 5.29 545 493 A 39 GLN H A 88 ASP HBy 1.0 1.8 5.53 546 494 A 39 GLN H A 40 ARG H 1.0 1.8 5.51 547 495 A 39 GLN H A 38 GLN HG2 1.0 1.8 4.97 548 495 A 38 GLN HG3 A 39 GLN H 1.0 1.8 4.97 549 496 A 39 GLN H A 89 TYR HA 1.0 1.8 5.39 550 497 A 39 GLN H A 39 GLN HB2 1.0 1.8 5.17 551 497 A 39 GLN HB3 A 39 GLN H 1.0 1.8 5.17 552 498 A 39 GLN H A 88 ASP H 1.0 1.8 5.28 553 499 A 39 GLN H A 39 GLN HA 1.0 1.8 5.30 554 500 A 38 GLN HA A 39 GLN H 1.0 1.8 4.59 555 501 A 39 GLN HE21 A 45 PRO HA 1.0 1.8 5.79 556 502 A 48 VAL HGy% A 39 GLN H 1.0 1.8 5.55 557 503 A 39 GLN HG3 A 45 PRO HG2 1.0 1.8 4.78 558 503 A 39 GLN HG2 A 45 PRO HG2 1.0 1.8 4.78 559 503 A 45 PRO HG3 A 39 GLN HG2 1.0 1.8 4.78 560 503 A 39 GLN HG3 A 45 PRO HG3 1.0 1.8 4.78 561 504 A 41 PRO HBy A 41 PRO HA 1.0 1.8 5.31 562 505 A 41 PRO HBy A 41 PRO HBx 1.0 1.8 5.23 563 506 A 41 PRO HBy A 41 PRO HBx 1.0 1.8 5.35 564 507 A 41 PRO HBx A 42 GLY H 1.0 1.8 5.86 565 508 A 42 GLY H A 43 SER H 1.0 1.8 5.74 566 509 A 41 PRO HA A 42 GLY H 1.0 1.8 5.25 567 510 A 42 GLY H A 42 GLY HAx 1.0 1.8 5.32 568 511 A 42 GLY H A 42 GLY HAy 1.0 1.8 5.28 569 512 A 41 PRO HBy A 43 SER H 1.0 1.8 5.73 570 513 A 43 SER H A 43 SER HBy 1.0 1.8 4.87 571 514 A 43 SER H A 42 GLY HAy 1.0 1.8 4.96 572 515 A 43 SER H A 42 GLY HAx 1.0 1.8 4.66 573 516 A 43 SER H A 43 SER HA 1.0 1.8 4.93 574 517 A 41 PRO HA A 43 SER H 1.0 1.8 5.22 575 518 A 42 GLY H A 43 SER H 1.0 1.8 5.49 576 519 A 43 SER H A 40 ARG HGy 1.0 1.8 5.73 577 520 A 43 SER H A 40 ARG HGx 1.0 1.8 5.55 578 521 A 43 SER HBy A 43 SER HA 1.0 1.8 5.38 579 522 A 43 SER HA A 44 SER HBx 1.0 1.8 5.30 580 522 A 43 SER HA A 44 SER HBy 1.0 1.8 5.30 581 523 A 43 SER H A 44 SER H 1.0 1.8 5.92 582 524 A 44 SER H A 43 SER HBx 1.0 1.8 5.26 583 525 A 44 SER H A 44 SER HBx 1.0 1.8 5.07 584 526 A 43 SER HA A 44 SER H 1.0 1.8 4.94 585 527 A 44 SER HA A 45 PRO HDy 1.0 1.8 5.03 586 528 A 44 SER HA A 44 SER HBx 1.0 1.8 5.26 587 529 A 44 SER HA A 45 PRO HDy 1.0 1.8 4.60 588 530 A 44 SER HA A 45 PRO HDy 1.0 1.8 4.60 589 531 A 45 PRO HA A 45 PRO HDx 1.0 1.8 5.32 590 532 A 46 THR H A 45 PRO HA 1.0 1.8 5.83 591 533 A 38 GLN H A 46 THR H 1.0 1.8 5.80 592 534 A 46 THR H A 46 THR HA 1.0 1.8 5.71 593 535 A 46 THR HB A 46 THR H 1.0 1.8 5.50 594 536 A 46 THR H A 46 THR HG2% 1.0 1.8 5.47 595 537 A 46 THR HB A 46 THR HG2% 1.0 1.8 5.00 596 538 A 46 THR HA A 46 THR HG2% 1.0 1.8 5.04 597 539 A 46 THR HA A 46 THR HG2% 1.0 1.8 5.08 598 540 A 46 THR HB A 46 THR HG2% 1.0 1.8 4.74 599 541 A 46 THR HA A 46 THR HG2% 1.0 1.8 5.40 600 542 A 46 THR HB A 47 THR H 1.0 1.8 5.71 601 543 A 46 THR HA A 47 THR H 1.0 1.8 5.70 602 544 A 47 THR HB A 59 VAL HGy% 1.0 1.8 5.29 603 545 A 47 THR HB A 59 VAL HGy% 1.0 1.8 5.32 604 546 A 48 VAL HGy% A 48 VAL H 1.0 1.8 4.90 605 547 A 48 VAL HB A 48 VAL H 1.0 1.8 5.41 606 548 A 48 VAL H A 48 VAL HA 1.0 1.8 5.43 607 549 A 37 TYR HA A 48 VAL H 1.0 1.8 5.22 608 550 A 49 ILE H A 48 VAL H 1.0 1.8 5.00 609 551 A 46 THR HB A 48 VAL H 1.0 1.8 4.87 610 552 A 38 GLN H A 48 VAL H 1.0 1.8 5.55 611 553 A 37 TYR HBy A 48 VAL H 1.0 1.8 5.56 612 554 A 48 VAL H A 50 TYR HDy 1.0 1.8 5.42 613 554 A 48 VAL H A 50 TYR HDx 1.0 1.8 5.42 614 555 A 48 VAL HB A 48 VAL HGx% 1.0 1.8 5.17 615 556 A 48 VAL HB A 48 VAL HGy% 1.0 1.8 5.27 616 557 A 48 VAL HGx% A 48 VAL HA 1.0 1.8 5.37 617 558 A 48 VAL HB A 48 VAL HA 1.0 1.8 5.39 618 559 A 48 VAL HB A 48 VAL HGx% 1.0 1.8 5.31 619 560 A 48 VAL HA A 55 ARG HBy 1.0 1.8 5.30 620 561 A 49 ILE HB A 48 VAL HGx% 1.0 1.8 5.41 621 562 A 48 VAL HGx% A 55 ARG HBx 1.0 1.8 5.16 622 563 A 48 VAL HGy% A 38 GLN HA 1.0 1.8 4.88 623 564 A 48 VAL HGy% A 38 GLN HA 1.0 1.8 4.79 624 565 A 48 VAL HGy% A 37 TYR HBy 1.0 1.8 5.36 625 566 A 48 VAL HGy% A 38 GLN HG2 1.0 1.8 5.01 626 566 A 48 VAL HGy% A 38 GLN HG3 1.0 1.8 5.01 627 567 A 48 VAL HGy% A 38 GLN HA 1.0 1.8 5.44 628 568 A 48 VAL HB A 48 VAL HGy% 1.0 1.8 5.24 629 569 A 49 ILE HG1x A 48 VAL HGx% 1.0 1.8 5.19 630 570 A 48 VAL HGy% A 36 TRP HZ3 1.0 1.8 5.35 631 571 A 49 ILE H A 63 PHE HBy 1.0 1.8 5.42 632 572 A 49 ILE HG2% A 49 ILE H 1.0 1.8 4.67 633 573 A 49 ILE H A 49 ILE HD1% 1.0 1.8 4.95 634 574 A 49 ILE H A 47 THR HA 1.0 1.8 5.00 635 575 A 49 ILE H A 37 TYR HA 1.0 1.8 5.36 636 576 A 49 ILE H A 48 VAL HB 1.0 1.8 5.13 637 577 A 35 GLN HA A 49 ILE H 1.0 1.8 5.63 638 578 A 49 ILE H A 50 TYR H 1.0 1.8 5.54 639 579 A 49 ILE H A 48 VAL HA 1.0 1.8 5.27 640 580 A 49 ILE H A 48 VAL H 1.0 1.8 4.74 641 581 A 36 TRP HD1 A 49 ILE H 1.0 1.8 5.48 642 582 A 49 ILE HB A 49 ILE H 1.0 1.8 5.07 643 583 A 49 ILE H A 49 ILE HA 1.0 1.8 5.17 644 584 A 49 ILE H A 49 ILE HG1y 1.0 1.8 5.48 645 585 A 50 TYR H A 52 ASP H 1.0 1.8 5.41 646 586 A 50 TYR H A 50 TYR HDy 1.0 1.8 5.30 647 587 A 49 ILE HD1% A 50 TYR H 1.0 1.8 4.95 648 588 A 49 ILE HB A 50 TYR H 1.0 1.8 5.24 649 589 A 35 GLN HA A 50 TYR H 1.0 1.8 5.75 650 590 A 50 TYR H A 54 GLN H 1.0 1.8 5.37 651 591 A 49 ILE HG1y A 50 TYR H 1.0 1.8 5.50 652 592 A 50 TYR H A 49 ILE HA 1.0 1.8 4.68 653 593 A 49 ILE HB A 50 TYR H 1.0 1.8 5.53 654 594 A 50 TYR HA A 56 PRO HDx 1.0 1.8 5.46 655 595 A 50 TYR HBx A 51 GLU HBy 1.0 1.8 4.73 656 596 A 50 TYR HBx A 51 GLU HGx 1.0 1.8 5.22 657 597 A 49 ILE HG2% A 51 GLU H 1.0 1.8 5.52 658 598 A 51 GLU H A 51 GLU HBx 1.0 1.8 5.56 659 599 A 51 GLU H A 35 GLN HG2 1.0 1.8 5.62 660 599 A 35 GLN HG3 A 51 GLU H 1.0 1.8 5.62 661 600 A 33 TYR HD% A 51 GLU H 1.0 1.8 5.73 662 601 A 50 TYR HDy A 51 GLU H 1.0 1.8 5.64 663 602 A 35 GLN HA A 51 GLU H 1.0 1.8 5.81 664 603 A 50 TYR HA A 51 GLU H 1.0 1.8 5.38 665 604 A 52 ASP H A 51 GLU H 1.0 1.8 5.61 666 605 A 51 GLU HA A 51 GLU H 1.0 1.8 5.49 667 606 A 51 GLU H A 51 GLU HGy 1.0 1.8 5.68 668 607 A 50 TYR HBx A 51 GLU H 1.0 1.8 5.79 669 608 A 50 TYR HBx A 51 GLU HBy 1.0 1.8 5.10 670 609 A 51 GLU HBx A 51 GLU HGy 1.0 1.8 5.37 671 610 A 52 ASP HA A 65 GLY HAx 1.0 1.8 4.55 672 611 A 53 ASN HD21 A 52 ASP HBy 1.0 1.8 5.67 673 611 A 53 ASN HD21 A 52 ASP HBx 1.0 1.8 5.67 674 612 A 53 ASN HD21 A 53 ASN HBx 1.0 1.8 4.85 675 613 A 53 ASN HD21 A 53 ASN HBy 1.0 1.8 4.88 676 614 A 53 ASN HD21 A 53 ASN HA 1.0 1.8 5.26 677 615 A 53 ASN HA A 53 ASN HD22 1.0 1.8 5.74 678 616 A 53 ASN HBx A 53 ASN HD22 1.0 1.8 5.15 679 617 A 53 ASN HBy A 53 ASN HD22 1.0 1.8 5.20 680 618 A 49 ILE HD1% A 53 ASN H 1.0 1.8 5.41 681 619 A 49 ILE HG2% A 53 ASN H 1.0 1.8 4.84 682 620 A 53 ASN H A 52 ASP HBy 1.0 1.8 4.80 683 620 A 52 ASP HBx A 53 ASN H 1.0 1.8 4.80 684 621 A 49 ILE HG1x A 53 ASN H 1.0 1.8 5.23 685 622 A 53 ASN HBx A 53 ASN H 1.0 1.8 5.00 686 623 A 53 ASN H A 54 GLN HGy 1.0 1.8 5.10 687 624 A 51 GLU HBy A 53 ASN H 1.0 1.8 5.43 688 625 A 53 ASN H A 54 GLN HGx 1.0 1.8 5.13 689 626 A 53 ASN HA A 53 ASN H 1.0 1.8 4.85 690 627 A 53 ASN HBy A 53 ASN H 1.0 1.8 5.07 691 628 A 51 GLU HA A 53 ASN H 1.0 1.8 5.59 692 629 A 52 ASP HA A 53 ASN H 1.0 1.8 5.22 693 630 A 49 ILE HG1y A 53 ASN H 1.0 1.8 5.12 694 631 A 53 ASN HD22 A 53 ASN H 1.0 1.8 5.61 695 632 A 65 GLY HAx A 53 ASN HA 1.0 1.8 5.32 696 633 A 53 ASN HBx A 53 ASN HA 1.0 1.8 5.20 697 634 A 53 ASN HBy A 53 ASN HA 1.0 1.8 5.24 698 635 A 53 ASN HA A 52 ASP HBy 1.0 1.8 5.45 699 635 A 52 ASP HBx A 53 ASN HA 1.0 1.8 5.45 700 636 A 54 GLN HGy A 54 GLN HE21 1.0 1.8 4.67 701 637 A 54 GLN HGx A 54 GLN HE21 1.0 1.8 4.81 702 638 A 54 GLN H A 54 GLN HE21 1.0 1.8 5.61 703 639 A 54 GLN HE21 A 54 GLN HBx 1.0 1.8 5.23 704 640 A 54 GLN HE21 A 54 GLN HA 1.0 1.8 5.22 705 641 A 54 GLN HBx A 54 GLN HE22 1.0 1.8 5.49 706 642 A 54 GLN HGy A 54 GLN HE22 1.0 1.8 4.83 707 643 A 54 GLN HGx A 54 GLN HE22 1.0 1.8 4.99 708 644 A 49 ILE HG2% A 54 GLN H 1.0 1.8 4.76 709 645 A 49 ILE HD1% A 54 GLN H 1.0 1.8 5.31 710 646 A 54 GLN H A 53 ASN HBx 1.0 1.8 5.68 711 647 A 54 GLN H A 54 GLN HA 1.0 1.8 5.06 712 648 A 49 ILE HA A 54 GLN H 1.0 1.8 5.57 713 649 A 54 GLN H A 53 ASN HBy 1.0 1.8 5.81 714 650 A 54 GLN H A 54 GLN HGx 1.0 1.8 5.07 715 651 A 50 TYR H A 54 GLN H 1.0 1.8 5.34 716 652 A 54 GLN H A 54 GLN HGy 1.0 1.8 5.02 717 653 A 54 GLN H A 54 GLN HBx 1.0 1.8 4.99 718 654 A 54 GLN H A 51 GLU HBy 1.0 1.8 5.55 719 655 A 54 GLN H A 54 GLN HE21 1.0 1.8 5.85 720 656 A 54 GLN HA A 54 GLN HE22 1.0 1.8 5.51 721 657 A 54 GLN HGx A 54 GLN HBx 1.0 1.8 5.23 722 658 A 54 GLN HGx A 54 GLN HBx 1.0 1.8 5.23 723 659 A 54 GLN HGy A 54 GLN HBx 1.0 1.8 5.40 724 660 A 49 ILE HD1% A 55 ARG H 1.0 1.8 5.40 725 661 A 55 ARG H A 54 GLN HBy 1.0 1.8 4.60 726 662 A 54 GLN HBx A 55 ARG H 1.0 1.8 4.72 727 663 A 54 GLN HE21 A 55 ARG H 1.0 1.8 5.89 728 664 A 55 ARG H A 55 ARG HDx 1.0 1.8 5.86 729 665 A 54 GLN HGx A 55 ARG H 1.0 1.8 5.33 730 666 A 55 ARG H A 55 ARG HA 1.0 1.8 5.00 731 667 A 55 ARG H A 55 ARG HGx 1.0 1.8 4.76 732 668 A 55 ARG HBx A 55 ARG H 1.0 1.8 4.62 733 669 A 54 GLN HA A 55 ARG H 1.0 1.8 4.40 734 670 A 49 ILE HG1x A 55 ARG H 1.0 1.8 5.05 735 671 A 55 ARG H A 55 ARG HGx 1.0 1.8 5.69 736 672 A 55 ARG H A 56 PRO HDy 1.0 1.8 5.44 737 673 A 49 ILE HD1% A 55 ARG H 1.0 1.8 5.73 738 674 A 55 ARG H A 55 ARG HDy 1.0 1.8 5.30 739 675 A 56 PRO HBy A 56 PRO HGx 1.0 1.8 5.13 740 676 A 56 PRO HBy A 56 PRO HBx 1.0 1.8 5.34 741 677 A 56 PRO HDy A 56 PRO HGy 1.0 1.8 5.36 742 678 A 56 PRO HDx A 56 PRO HA 1.0 1.8 5.30 743 679 A 57 SER H A 57 SER HBx 1.0 1.8 4.73 744 679 A 57 SER H A 57 SER HBy 1.0 1.8 4.73 745 680 A 56 PRO HA A 57 SER H 1.0 1.8 4.78 746 681 A 56 PRO HBy A 57 SER H 1.0 1.8 5.28 747 682 A 57 SER H A 57 SER HA 1.0 1.8 5.03 748 683 A 56 PRO HBx A 57 SER H 1.0 1.8 5.27 749 684 A 58 GLY HAx A 57 SER HBx 1.0 1.8 4.69 750 684 A 57 SER HBy A 58 GLY HAx 1.0 1.8 4.69 751 685 A 57 SER HA A 55 ARG HGy 1.0 1.8 5.21 752 686 A 59 VAL HGy% A 59 VAL H 1.0 1.8 4.38 753 687 A 59 VAL H A 58 GLY HAy 1.0 1.8 4.66 754 688 A 55 ARG HGy A 59 VAL H 1.0 1.8 5.00 755 689 A 59 VAL H A 59 VAL HA 1.0 1.8 4.77 756 690 A 59 VAL H A 60 PRO HDx 1.0 1.8 4.69 757 691 A 59 VAL H A 59 VAL HB 1.0 1.8 4.43 758 692 A 56 PRO HGy A 59 VAL H 1.0 1.8 4.97 759 693 A 55 ARG HBy A 59 VAL HB 1.0 1.8 5.21 760 694 A 59 VAL HGy% A 59 VAL HB 1.0 1.8 5.21 761 695 A 59 VAL HGy% A 59 VAL HA 1.0 1.8 5.34 762 696 A 59 VAL HA A 59 VAL HGx% 1.0 1.8 5.37 763 697 A 59 VAL HA A 60 PRO HDx 1.0 1.8 5.25 764 698 A 59 VAL HA A 60 PRO HDy 1.0 1.8 5.07 765 699 A 48 VAL HA A 59 VAL HGx% 1.0 1.8 5.31 766 700 A 59 VAL HA A 59 VAL HGx% 1.0 1.8 5.38 767 701 A 59 VAL HB A 59 VAL HGx% 1.0 1.8 5.14 768 702 A 55 ARG HGy A 59 VAL HGx% 1.0 1.8 5.27 769 703 A 59 VAL HGy% A 59 VAL HA 1.0 1.8 5.29 770 704 A 59 VAL HGy% A 59 VAL HB 1.0 1.8 5.20 771 705 A 59 VAL HGy% A 56 PRO HGx 1.0 1.8 5.29 772 706 A 59 VAL HGy% A 59 VAL HA 1.0 1.8 5.31 773 707 A 48 VAL HGx% A 59 VAL HGx% 1.0 1.8 4.88 774 708 A 59 VAL HGy% A 56 PRO HDx 1.0 1.8 5.38 775 709 A 59 VAL HGy% A 56 PRO HDy 1.0 1.8 5.31 776 710 A 59 VAL HA A 59 VAL HB 1.0 1.8 5.35 777 711 A 59 VAL HGy% A 59 VAL HA 1.0 1.8 5.04 778 712 A 59 VAL HGx% A 60 PRO HA 1.0 1.8 5.06 779 713 A 59 VAL HA A 59 VAL HGx% 1.0 1.8 5.19 780 714 A 55 ARG HDy A 59 VAL HGx% 1.0 1.8 5.50 781 715 A 59 VAL HB A 59 VAL HGx% 1.0 1.8 5.30 782 716 A 55 ARG HBx A 59 VAL HGx% 1.0 1.8 5.30 783 717 A 59 VAL HGy% A 55 ARG HBy 1.0 1.8 5.41 784 718 A 59 VAL HGy% A 56 PRO HGy 1.0 1.8 5.31 785 719 A 55 ARG HBy A 59 VAL HGx% 1.0 1.8 5.13 786 720 A 59 VAL HGy% A 59 VAL HA 1.0 1.8 5.30 787 721 A 48 VAL HGx% A 59 VAL HGx% 1.0 1.8 5.14 788 722 A 59 VAL HGy% A 55 ARG HDx 1.0 1.8 5.35 789 723 A 61 ASP H A 60 PRO HBy 1.0 1.8 4.42 790 724 A 61 ASP H A 60 PRO HBx 1.0 1.8 4.80 791 725 A 60 PRO HA A 61 ASP H 1.0 1.8 4.26 792 726 A 61 ASP H A 62 ARG HGy 1.0 1.8 5.02 793 726 A 61 ASP H A 62 ARG HGx 1.0 1.8 5.02 794 727 A 61 ASP H A 61 ASP HBy 1.0 1.8 4.68 795 728 A 61 ASP H A 62 ARG H 1.0 1.8 5.09 796 729 A 61 ASP HA A 61 ASP HBx 1.0 1.8 4.99 797 730 A 61 ASP HBy A 61 ASP HA 1.0 1.8 4.99 798 731 A 61 ASP HA A 81 LEU HA 1.0 1.8 5.26 799 732 A 61 ASP HA A 61 ASP HBx 1.0 1.8 5.31 800 733 A 80 GLY HAy A 61 ASP HA 1.0 1.8 5.30 801 734 A 62 ARG H A 62 ARG HDx 1.0 1.8 5.89 802 735 A 62 ARG H A 62 ARG HB2 1.0 1.8 5.66 803 735 A 62 ARG H A 62 ARG HB3 1.0 1.8 5.66 804 736 A 62 ARG H A 61 ASP HBx 1.0 1.8 5.60 805 737 A 62 ARG H A 62 ARG HA 1.0 1.8 5.28 806 738 A 62 ARG H A 63 PHE H 1.0 1.8 5.62 807 739 A 60 PRO HBx A 62 ARG H 1.0 1.8 5.69 808 740 A 61 ASP H A 62 ARG H 1.0 1.8 5.65 809 741 A 63 PHE H A 55 ARG HE 1.0 1.8 5.18 810 742 A 63 PHE H A 63 PHE HD% 1.0 1.8 4.74 811 743 A 59 VAL HB A 63 PHE H 1.0 1.8 5.29 812 744 A 63 PHE H A 62 ARG HB2 1.0 1.8 5.50 813 744 A 62 ARG HB3 A 63 PHE H 1.0 1.8 5.50 814 745 A 63 PHE H A 64 SER H 1.0 1.8 5.37 815 746 A 61 ASP H A 63 PHE H 1.0 1.8 5.39 816 747 A 61 ASP HBx A 63 PHE H 1.0 1.8 5.34 817 748 A 62 ARG H A 63 PHE H 1.0 1.8 4.91 818 749 A 63 PHE H A 63 PHE HBx 1.0 1.8 4.76 819 750 A 63 PHE HBy A 63 PHE H 1.0 1.8 4.64 820 751 A 62 ARG HA A 63 PHE H 1.0 1.8 4.73 821 752 A 49 ILE HD1% A 63 PHE H 1.0 1.8 5.39 822 753 A 49 ILE HD1% A 64 SER H 1.0 1.8 5.09 823 754 A 63 PHE H A 64 SER H 1.0 1.8 5.36 824 755 A 64 SER H A 76 LEU HA 1.0 1.8 5.19 825 756 A 63 PHE HBy A 64 SER H 1.0 1.8 5.07 826 757 A 64 SER H A 78 ILE HA 1.0 1.8 5.06 827 758 A 64 SER H A 76 LEU HBy 1.0 1.8 4.81 828 759 A 64 SER H A 64 SER HBx 1.0 1.8 4.66 829 760 A 64 SER H A 77 THR HG2% 1.0 1.8 4.95 830 761 A 64 SER H A 63 PHE HBx 1.0 1.8 4.97 831 762 A 64 SER HA A 64 SER H 1.0 1.8 4.57 832 763 A 64 SER H A 36 TRP HZ2 1.0 1.8 5.44 833 764 A 64 SER HA A 64 SER HBx 1.0 1.8 5.27 834 765 A 63 PHE HA A 64 SER HBx 1.0 1.8 5.16 835 766 A 77 THR HG2% A 64 SER HBx 1.0 1.8 5.43 836 767 A 77 THR HG2% A 64 SER HBx 1.0 1.8 5.43 837 767 A 77 THR HG2% A 64 SER HBy 1.0 1.8 5.43 838 768 A 49 ILE HG1y A 64 SER HA 1.0 1.8 5.51 839 769 A 62 ARG HB3 A 64 SER HBy 1.0 1.8 5.42 840 769 A 64 SER HBy A 62 ARG HB2 1.0 1.8 5.42 841 770 A 77 THR HG2% A 64 SER HBx 1.0 1.8 5.43 842 771 A 49 ILE HD1% A 65 GLY H 1.0 1.8 4.69 843 772 A 76 LEU HBy A 65 GLY H 1.0 1.8 5.29 844 773 A 49 ILE HG2% A 65 GLY H 1.0 1.8 4.97 845 774 A 66 SER H A 65 GLY H 1.0 1.8 5.12 846 775 A 49 ILE HG1x A 65 GLY H 1.0 1.8 5.42 847 776 A 64 SER HA A 65 GLY H 1.0 1.8 4.52 848 777 A 65 GLY HAy A 65 GLY H 1.0 1.8 4.85 849 778 A 65 GLY HAx A 65 GLY H 1.0 1.8 4.38 850 779 A 76 LEU HA A 65 GLY H 1.0 1.8 5.16 851 780 A 65 GLY HAy A 76 LEU HA 1.0 1.8 5.40 852 781 A 49 ILE HG2% A 65 GLY HAx 1.0 1.8 5.27 853 782 A 52 ASP HA A 65 GLY HAx 1.0 1.8 5.12 854 783 A 66 SER H A 76 LEU HBy 1.0 1.8 5.33 855 784 A 65 GLY HAy A 66 SER H 1.0 1.8 4.49 856 785 A 66 SER H A 66 SER HB2 1.0 1.8 4.50 857 786 A 66 SER H A 66 SER HA 1.0 1.8 5.02 858 787 A 66 SER H A 76 LEU HA 1.0 1.8 5.22 859 788 A 66 SER H A 75 SER H 1.0 1.8 4.93 860 789 A 66 SER H A 75 SER HB2 1.0 1.8 5.13 861 789 A 75 SER HB3 A 66 SER H 1.0 1.8 5.13 862 790 A 66 SER H A 77 THR HG2% 1.0 1.8 5.33 863 791 A 76 LEU HG A 66 SER H 1.0 1.8 5.30 864 792 A 66 SER H A 49 ILE HD1% 1.0 1.8 5.56 865 793 A 66 SER HA A 67 ILE H 1.0 1.8 4.79 866 794 A 67 ILE H A 68 ASP H 1.0 1.8 5.49 867 795 A 67 ILE H A 67 ILE HG2% 1.0 1.8 4.64 868 796 A 67 ILE H A 66 SER HB3 1.0 1.8 4.49 869 797 A 67 ILE HD1% A 67 ILE HG1x 1.0 1.8 5.29 870 798 A 30 ALA HA A 67 ILE HG1y 1.0 1.8 5.40 871 799 A 30 ALA HB% A 67 ILE HG1y 1.0 1.8 5.37 872 800 A 68 ASP H A 67 ILE HG1x 1.0 1.8 4.43 873 800 A 68 ASP H A 67 ILE HG2% 1.0 1.8 4.43 874 800 A 68 ASP H A 67 ILE HG1y 1.0 1.8 4.43 875 801 A 74 ALA H A 68 ASP H 1.0 1.8 5.52 876 802 A 75 SER H A 68 ASP H 1.0 1.8 5.06 877 803 A 68 ASP H A 67 ILE HG1x 1.0 1.8 5.44 878 804 A 68 ASP H A 67 ILE HA 1.0 1.8 4.84 879 805 A 68 ASP H A 67 ILE HG1y 1.0 1.8 5.49 880 806 A 68 ASP H A 67 ILE HB 1.0 1.8 5.14 881 807 A 68 ASP H A 68 ASP HBy 1.0 1.8 4.62 882 808 A 68 ASP H A 68 ASP HBx 1.0 1.8 4.62 883 809 A 68 ASP H A 74 ALA HA 1.0 1.8 4.76 884 810 A 68 ASP H A 68 ASP HA 1.0 1.8 4.71 885 811 A 68 ASP H A 73 SER H 1.0 1.8 5.16 886 812 A 73 SER HBy A 68 ASP H 1.0 1.8 5.47 887 813 A 67 ILE H A 68 ASP H 1.0 1.8 5.41 888 814 A 68 ASP HBx A 68 ASP HA 1.0 1.8 5.18 889 815 A 67 ILE HA A 69 SER H 1.0 1.8 5.70 890 816 A 68 ASP HA A 69 SER H 1.0 1.8 5.48 891 817 A 69 SER HA A 69 SER HBy 1.0 1.8 4.38 892 818 A 30 ALA HB% A 69 SER HBy 1.0 1.8 5.47 893 819 A 70 SER H A 70 SER HB3 1.0 1.8 4.61 894 820 A 70 SER HB3 A 71 SER HBx 1.0 1.8 5.40 895 821 A 71 SER HBx A 71 SER H 1.0 1.8 4.68 896 822 A 71 SER H A 71 SER HA 1.0 1.8 4.59 897 823 A 71 SER H A 72 ASN H 1.0 1.8 4.49 898 824 A 71 SER H A 71 SER HBy 1.0 1.8 4.46 899 825 A 71 SER H A 70 SER HA 1.0 1.8 4.98 900 826 A 68 ASP HBx A 71 SER H 1.0 1.8 5.15 901 827 A 68 ASP HBy A 71 SER H 1.0 1.8 5.35 902 828 A 71 SER HA A 71 SER HBy 1.0 1.8 5.07 903 829 A 71 SER HBx A 71 SER HA 1.0 1.8 5.03 904 830 A 72 ASN HBy A 71 SER HA 1.0 1.8 5.19 905 831 A 72 ASN HD21 A 29 ILE HG2% 1.0 1.8 5.29 906 832 A 72 ASN HD22 A 28 SER HA 1.0 1.8 4.93 907 833 A 72 ASN HD21 A 28 SER HA 1.0 1.8 4.88 908 834 A 72 ASN HD22 A 29 ILE HD1% 1.0 1.8 5.31 909 835 A 72 ASN HD21 A 72 ASN HBy 1.0 1.8 4.83 910 836 A 72 ASN HD21 A 29 ILE H 1.0 1.8 5.30 911 837 A 72 ASN HD22 A 29 ILE H 1.0 1.8 5.47 912 838 A 29 ILE HG2% A 72 ASN H 1.0 1.8 4.78 913 839 A 72 ASN H A 70 SER HA 1.0 1.8 5.01 914 840 A 72 ASN HBy A 72 ASN H 1.0 1.8 4.76 915 841 A 72 ASN H A 71 SER HBy 1.0 1.8 4.76 916 842 A 72 ASN HBx A 72 ASN H 1.0 1.8 4.78 917 843 A 71 SER H A 72 ASN H 1.0 1.8 4.49 918 844 A 71 SER HA A 72 ASN H 1.0 1.8 5.06 919 845 A 72 ASN HA A 72 ASN H 1.0 1.8 4.36 920 846 A 72 ASN HBx A 72 ASN HD21 1.0 1.8 4.97 921 847 A 72 ASN HD21 A 72 ASN HA 1.0 1.8 5.71 922 848 A 72 ASN HD22 A 72 ASN HA 1.0 1.8 5.44 923 849 A 24 GLY H A 72 ASN HD22 1.0 1.8 5.61 924 850 A 24 GLY H A 72 ASN HD21 1.0 1.8 5.86 925 851 A 72 ASN HD21 A 72 ASN HD22 1.0 1.8 4.50 926 852 A 72 ASN HD21 A 67 ILE HG1x 1.0 1.8 5.49 927 853 A 72 ASN HBx A 72 ASN HD22 1.0 1.8 4.92 928 854 A 72 ASN HD22 A 72 ASN HBy 1.0 1.8 4.98 929 855 A 23 THR HA A 72 ASN HD22 1.0 1.8 5.30 930 856 A 72 ASN HBx A 27 GLY HAy 1.0 1.8 5.06 931 857 A 72 ASN HA A 29 ILE HG2% 1.0 1.8 5.26 932 858 A 72 ASN HBx A 72 ASN HA 1.0 1.8 5.34 933 859 A 72 ASN HA A 68 ASP HBy 1.0 1.8 5.32 934 860 A 29 ILE HB A 72 ASN HA 1.0 1.8 5.03 935 861 A 72 ASN HBx A 73 SER HBx 1.0 1.8 5.50 936 862 A 72 ASN HBx A 72 ASN HA 1.0 1.8 5.41 937 863 A 72 ASN HBx A 71 SER HBy 1.0 1.8 5.11 938 864 A 29 ILE HG2% A 73 SER H 1.0 1.8 4.47 939 865 A 73 SER H A 67 ILE HG1x 1.0 1.8 5.29 940 866 A 68 ASP H A 73 SER H 1.0 1.8 5.08 941 867 A 68 ASP HBy A 73 SER H 1.0 1.8 4.94 942 868 A 73 SER HBy A 73 SER H 1.0 1.8 4.52 943 869 A 73 SER H A 71 SER HBy 1.0 1.8 4.93 944 870 A 72 ASN HBx A 73 SER H 1.0 1.8 4.82 945 871 A 73 SER H A 71 SER H 1.0 1.8 4.95 946 872 A 73 SER HA A 73 SER H 1.0 1.8 4.83 947 873 A 72 ASN HA A 73 SER H 1.0 1.8 4.49 948 874 A 74 ALA H A 73 SER H 1.0 1.8 5.11 949 875 A 68 ASP HA A 73 SER H 1.0 1.8 5.33 950 876 A 73 SER HA A 73 SER HBx 1.0 1.8 5.36 951 877 A 73 SER HA A 74 ALA HA 1.0 1.8 5.19 952 878 A 22 CYS HBy A 73 SER HA 1.0 1.8 4.98 953 879 A 23 THR HG2% A 73 SER HBx 1.0 1.8 5.43 954 880 A 73 SER HA A 73 SER HBx 1.0 1.8 5.29 955 881 A 71 SER HA A 73 SER HBx 1.0 1.8 5.19 956 882 A 74 ALA H A 29 ILE HD1% 1.0 1.8 4.76 957 883 A 4 LEU HDy% A 74 ALA H 1.0 1.8 5.55 958 884 A 22 CYS H A 74 ALA H 1.0 1.8 5.26 959 885 A 74 ALA H A 68 ASP H 1.0 1.8 5.51 960 886 A 74 ALA H A 73 SER H 1.0 1.8 5.61 961 887 A 74 ALA H A 74 ALA HA 1.0 1.8 4.94 962 888 A 74 ALA H A 23 THR HA 1.0 1.8 5.01 963 889 A 74 ALA H A 73 SER HBy 1.0 1.8 4.60 964 890 A 74 ALA H A 73 SER HA 1.0 1.8 4.62 965 891 A 74 ALA H A 22 CYS HBy 1.0 1.8 5.28 966 892 A 74 ALA H A 22 CYS HA 1.0 1.8 5.59 967 893 A 74 ALA H A 22 CYS HBx 1.0 1.8 5.51 968 894 A 74 ALA H A 67 ILE HG1x 1.0 1.8 5.38 969 895 A 74 ALA HB% A 74 ALA HA 1.0 1.8 4.93 970 896 A 34 VAL HB A 74 ALA HB% 1.0 1.8 5.32 971 897 A 67 ILE HD1% A 74 ALA HB% 1.0 1.8 4.64 972 898 A 67 ILE HD1% A 74 ALA HB% 1.0 1.8 4.91 973 899 A 34 VAL HGx% A 74 ALA HB% 1.0 1.8 4.91 974 900 A 22 CYS HBy A 74 ALA HB% 1.0 1.8 5.32 975 901 A 74 ALA HB% A 74 ALA HA 1.0 1.8 5.41 976 902 A 34 VAL HGx% A 74 ALA HB% 1.0 1.8 5.38 977 903 A 74 ALA HB% A 29 ILE HD1% 1.0 1.8 4.59 978 904 A 29 ILE HG1x A 74 ALA HB% 1.0 1.8 5.21 979 905 A 34 VAL HA A 74 ALA HB% 1.0 1.8 5.39 980 906 A 67 ILE HD1% A 75 SER H 1.0 1.8 4.83 981 907 A 75 SER H A 74 ALA HA 1.0 1.8 4.56 982 908 A 75 SER H A 68 ASP H 1.0 1.8 5.31 983 909 A 74 ALA H A 75 SER H 1.0 1.8 5.76 984 910 A 75 SER H A 66 SER HB3 1.0 1.8 5.29 985 911 A 75 SER H A 75 SER HB2 1.0 1.8 4.74 986 911 A 75 SER HB3 A 75 SER H 1.0 1.8 4.74 987 912 A 75 SER H A 67 ILE HA 1.0 1.8 5.23 988 913 A 76 LEU H A 75 SER H 1.0 1.8 5.70 989 914 A 66 SER H A 75 SER H 1.0 1.8 4.99 990 915 A 75 SER HA A 75 SER H 1.0 1.8 5.11 991 916 A 76 LEU HDy% A 75 SER H 1.0 1.8 5.77 992 917 A 19 THR HG2% A 75 SER HB2 1.0 1.8 4.76 993 917 A 19 THR HG2% A 75 SER HB3 1.0 1.8 4.76 994 918 A 76 LEU H A 66 SER HB3 1.0 1.8 5.60 995 919 A 76 LEU HG A 76 LEU H 1.0 1.8 5.39 996 920 A 76 LEU H A 77 THR H 1.0 1.8 5.64 997 921 A 76 LEU H A 21 SER HA 1.0 1.8 5.24 998 922 A 20 ILE H A 76 LEU H 1.0 1.8 5.39 999 923 A 19 THR HG2% A 76 LEU H 1.0 1.8 5.11 1000 924 A 76 LEU H A 76 LEU HBy 1.0 1.8 4.91 1001 925 A 76 LEU H A 76 LEU HBx 1.0 1.8 5.17 1002 926 A 76 LEU H A 75 SER HA 1.0 1.8 4.75 1003 927 A 76 LEU H A 75 SER HB2 1.0 1.8 4.87 1004 927 A 75 SER HB3 A 76 LEU H 1.0 1.8 4.87 1005 928 A 76 LEU H A 75 SER H 1.0 1.8 5.49 1006 929 A 76 LEU H A 76 LEU HA 1.0 1.8 5.46 1007 930 A 19 THR HA A 76 LEU H 1.0 1.8 5.55 1008 931 A 76 LEU H A 20 ILE HB 1.0 1.8 5.41 1009 932 A 20 ILE HG2% A 76 LEU H 1.0 1.8 5.69 1010 933 A 65 GLY HAy A 76 LEU HA 1.0 1.8 5.38 1011 934 A 76 LEU HG A 76 LEU HA 1.0 1.8 5.05 1012 935 A 64 SER H A 77 THR H 1.0 1.8 4.90 1013 936 A 64 SER HA A 77 THR H 1.0 1.8 5.30 1014 937 A 65 GLY HAy A 77 THR H 1.0 1.8 5.19 1015 938 A 76 LEU H A 77 THR H 1.0 1.8 5.54 1016 939 A 76 LEU HA A 77 THR H 1.0 1.8 4.46 1017 940 A 66 SER H A 77 THR H 1.0 1.8 5.16 1018 941 A 77 THR HA A 77 THR H 1.0 1.8 5.06 1019 942 A 77 THR H A 77 THR HB 1.0 1.8 4.58 1020 943 A 77 THR HG2% A 77 THR H 1.0 1.8 4.71 1021 944 A 76 LEU HBx A 77 THR H 1.0 1.8 5.10 1022 945 A 76 LEU HBy A 77 THR H 1.0 1.8 4.55 1023 946 A 77 THR HA A 77 THR HB 1.0 1.8 5.34 1024 947 A 77 THR HG2% A 77 THR HB 1.0 1.8 4.60 1025 948 A 77 THR HG2% A 77 THR HB 1.0 1.8 4.69 1026 949 A 77 THR HG2% A 77 THR HB 1.0 1.8 4.79 1027 950 A 77 THR HG2% A 77 THR HB 1.0 1.8 4.89 1028 951 A 77 THR HA A 77 THR HG2% 1.0 1.8 5.02 1029 952 A 77 THR HA A 77 THR HB 1.0 1.8 5.42 1030 953 A 77 THR HG2% A 77 THR HB 1.0 1.8 4.94 1031 954 A 77 THR HG2% A 77 THR HB 1.0 1.8 4.83 1032 955 A 77 THR HA A 77 THR HG2% 1.0 1.8 5.10 1033 956 A 18 VAL HA A 78 ILE H 1.0 1.8 5.41 1034 957 A 79 SER HA A 78 ILE H 1.0 1.8 5.24 1035 958 A 78 ILE H A 78 ILE HA 1.0 1.8 5.20 1036 959 A 17 THR HA A 78 ILE H 1.0 1.8 5.72 1037 960 A 78 ILE H A 79 SER H 1.0 1.8 5.17 1038 961 A 19 THR HA A 78 ILE H 1.0 1.8 5.01 1039 962 A 77 THR HA A 78 ILE H 1.0 1.8 4.51 1040 963 A 78 ILE HB A 78 ILE H 1.0 1.8 4.95 1041 964 A 78 ILE H A 76 LEU HG 1.0 1.8 5.00 1042 965 A 78 ILE H A 78 ILE HG12 1.0 1.8 4.47 1043 965 A 78 ILE HG13 A 78 ILE H 1.0 1.8 4.47 1044 966 A 78 ILE H A 77 THR H 1.0 1.8 5.52 1045 967 A 78 ILE H A 77 THR HB 1.0 1.8 5.19 1046 968 A 78 ILE H A 76 LEU HDx% 1.0 1.8 5.48 1047 969 A 78 ILE H A 20 ILE HD1% 1.0 1.8 5.75 1048 970 A 20 ILE H A 78 ILE H 1.0 1.8 5.53 1049 971 A 78 ILE HA A 78 ILE HG12 1.0 1.8 5.11 1050 971 A 78 ILE HG13 A 78 ILE HA 1.0 1.8 5.11 1051 972 A 61 ASP HBx A 79 SER H 1.0 1.8 5.94 1052 973 A 61 ASP HA A 79 SER H 1.0 1.8 5.12 1053 974 A 79 SER HBx A 79 SER H 1.0 1.8 4.71 1054 975 A 78 ILE HA A 79 SER H 1.0 1.8 4.49 1055 976 A 78 ILE HB A 79 SER H 1.0 1.8 5.09 1056 977 A 79 SER H A 78 ILE HG12 1.0 1.8 4.85 1057 977 A 78 ILE HG13 A 79 SER H 1.0 1.8 4.85 1058 978 A 79 SER H A 62 ARG HB2 1.0 1.8 5.21 1059 978 A 62 ARG HB3 A 79 SER H 1.0 1.8 5.21 1060 979 A 79 SER HA A 79 SER H 1.0 1.8 5.16 1061 980 A 17 THR HG2% A 79 SER HBx 1.0 1.8 5.31 1062 981 A 79 SER HA A 81 LEU HDy% 1.0 1.8 5.36 1063 981 A 79 SER HA A 81 LEU HDx% 1.0 1.8 5.36 1064 982 A 79 SER HBx A 79 SER HA 1.0 1.8 5.16 1065 983 A 17 THR HG2% A 79 SER HA 1.0 1.8 5.09 1066 984 A 79 SER HA A 79 SER HBy 1.0 1.8 5.34 1067 985 A 17 THR HA A 79 SER HA 1.0 1.8 5.35 1068 986 A 17 THR HA A 79 SER HBy 1.0 1.8 4.83 1069 987 A 80 GLY HAy A 80 GLY H 1.0 1.8 5.10 1070 988 A 81 LEU H A 81 LEU HDy% 1.0 1.8 4.87 1071 989 A 81 LEU H A 15 GLY HAy 1.0 1.8 5.66 1072 990 A 81 LEU H A 16 LYS H 1.0 1.8 5.26 1073 991 A 81 LEU H A 80 GLY HAx 1.0 1.8 4.88 1074 992 A 81 LEU H A 81 LEU HBx 1.0 1.8 4.42 1075 992 A 81 LEU H A 81 LEU HBy 1.0 1.8 4.42 1076 993 A 81 LEU H A 80 GLY HAy 1.0 1.8 4.82 1077 994 A 81 LEU H A 79 SER HA 1.0 1.8 5.76 1078 995 A 81 LEU H A 82 LYS H 1.0 1.8 5.36 1079 996 A 15 GLY H A 81 LEU H 1.0 1.8 5.33 1080 997 A 81 LEU H A 14 PRO HA 1.0 1.8 5.40 1081 998 A 82 LYS H A 81 LEU HDy% 1.0 1.8 5.24 1082 999 A 82 LYS H A 84 GLU H 1.0 1.8 5.58 1083 1000 A 82 LYS H A 81 LEU HBx 1.0 1.8 5.18 1084 1000 A 81 LEU HBy A 82 LYS H 1.0 1.8 5.18 1085 1001 A 82 LYS HBy A 82 LYS H 1.0 1.8 5.43 1086 1002 A 82 LYS H A 85 ASP H 1.0 1.8 5.89 1087 1003 A 82 LYS HA A 82 LYS H 1.0 1.8 5.52 1088 1004 A 82 LYS HBx A 82 LYS H 1.0 1.8 5.23 1089 1005 A 81 LEU H A 82 LYS H 1.0 1.8 5.85 1090 1006 A 82 LYS H A 85 ASP HBx 1.0 1.8 5.94 1091 1007 A 82 LYS HA A 82 LYS HGy 1.0 1.8 5.34 1092 1008 A 82 LYS HBx A 82 LYS HA 1.0 1.8 5.35 1093 1009 A 82 LYS HBy A 82 LYS HEx 1.0 1.8 5.37 1094 1009 A 82 LYS HBy A 82 LYS HEy 1.0 1.8 5.37 1095 1010 A 82 LYS HBy A 82 LYS HEx 1.0 1.8 5.39 1096 1010 A 82 LYS HBy A 82 LYS HEy 1.0 1.8 5.39 1097 1011 A 83 THR H A 110 VAL HGy% 1.0 1.8 5.00 1098 1012 A 82 LYS HGy A 83 THR H 1.0 1.8 4.80 1099 1013 A 82 LYS H A 83 THR H 1.0 1.8 5.47 1100 1014 A 85 ASP H A 83 THR H 1.0 1.8 5.79 1101 1015 A 82 LYS HBy A 83 THR H 1.0 1.8 4.60 1102 1016 A 83 THR H A 83 THR HA 1.0 1.8 4.76 1103 1017 A 82 LYS HA A 83 THR H 1.0 1.8 4.41 1104 1018 A 83 THR H A 82 LYS HEx 1.0 1.8 5.89 1105 1018 A 82 LYS HEy A 83 THR H 1.0 1.8 5.89 1106 1019 A 83 THR HB A 83 THR HG2% 1.0 1.8 4.90 1107 1020 A 83 THR HA A 83 THR HG2% 1.0 1.8 5.28 1108 1021 A 83 THR HA A 110 VAL HGx% 1.0 1.8 5.16 1109 1022 A 83 THR HA A 110 VAL HGy% 1.0 1.8 5.36 1110 1022 A 83 THR HA A 110 VAL HGx% 1.0 1.8 5.36 1111 1023 A 83 THR HB A 83 THR HG2% 1.0 1.8 4.73 1112 1024 A 83 THR HA A 83 THR HG2% 1.0 1.8 5.00 1113 1025 A 83 THR HA A 110 VAL HB 1.0 1.8 5.35 1114 1026 A 83 THR HB A 83 THR HG2% 1.0 1.8 5.03 1115 1027 A 83 THR HB A 83 THR HG2% 1.0 1.8 4.61 1116 1028 A 83 THR HA A 83 THR HG2% 1.0 1.8 4.80 1117 1029 A 82 LYS HBx A 84 GLU H 1.0 1.8 4.86 1118 1030 A 84 GLU H A 84 GLU HBy 1.0 1.8 4.31 1119 1031 A 84 GLU H A 85 ASP H 1.0 1.8 4.97 1120 1032 A 84 GLU H A 86 GLU H 1.0 1.8 5.65 1121 1033 A 82 LYS HA A 84 GLU H 1.0 1.8 4.82 1122 1034 A 84 GLU H A 83 THR HA 1.0 1.8 5.15 1123 1035 A 84 GLU H A 110 VAL HGy% 1.0 1.8 5.42 1124 1036 A 84 GLU HA A 84 GLU HBx 1.0 1.8 4.90 1125 1036 A 84 GLU HBy A 84 GLU HA 1.0 1.8 4.90 1126 1037 A 84 GLU HA A 84 GLU HBx 1.0 1.8 5.02 1127 1037 A 84 GLU HBy A 84 GLU HA 1.0 1.8 5.02 1128 1038 A 84 GLU HA A 84 GLU HBx 1.0 1.8 5.06 1129 1038 A 84 GLU HBy A 84 GLU HA 1.0 1.8 5.06 1130 1039 A 84 GLU HA A 84 GLU HBx 1.0 1.8 4.64 1131 1040 A 85 ASP H A 110 VAL HB 1.0 1.8 5.27 1132 1041 A 85 ASP H A 83 THR HA 1.0 1.8 5.19 1133 1042 A 82 LYS HA A 85 ASP H 1.0 1.8 5.40 1134 1043 A 85 ASP H A 85 ASP HBy 1.0 1.8 4.82 1135 1044 A 85 ASP H A 85 ASP HBx 1.0 1.8 4.93 1136 1045 A 85 ASP H A 86 GLU H 1.0 1.8 4.74 1137 1046 A 82 LYS H A 85 ASP H 1.0 1.8 5.94 1138 1047 A 81 LEU HA A 85 ASP H 1.0 1.8 4.43 1139 1048 A 84 GLU H A 85 ASP H 1.0 1.8 4.96 1140 1049 A 85 ASP H A 84 GLU HBy 1.0 1.8 4.65 1141 1050 A 85 ASP HBy A 81 LEU HDy% 1.0 1.8 5.15 1142 1050 A 81 LEU HDx% A 85 ASP HBy 1.0 1.8 5.15 1143 1051 A 85 ASP HBx A 81 LEU HDy% 1.0 1.8 5.24 1144 1051 A 81 LEU HDx% A 85 ASP HBx 1.0 1.8 5.24 1145 1052 A 12 GLU HBx A 85 ASP HBy 1.0 1.8 4.90 1146 1053 A 110 VAL HGx% A 86 GLU H 1.0 1.8 4.69 1147 1054 A 110 VAL HB A 86 GLU H 1.0 1.8 5.06 1148 1055 A 85 ASP HBx A 86 GLU H 1.0 1.8 5.38 1149 1056 A 86 GLU H A 85 ASP HBy 1.0 1.8 5.14 1150 1057 A 85 ASP HA A 86 GLU H 1.0 1.8 4.92 1151 1058 A 85 ASP H A 86 GLU H 1.0 1.8 4.54 1152 1059 A 84 GLU H A 86 GLU H 1.0 1.8 5.25 1153 1060 A 86 GLU H A 86 GLU HBy 1.0 1.8 4.30 1154 1060 A 86 GLU H A 86 GLU HBx 1.0 1.8 4.30 1155 1061 A 83 THR HA A 86 GLU H 1.0 1.8 5.18 1156 1062 A 86 GLU H A 86 GLU HA 1.0 1.8 4.78 1157 1063 A 86 GLU H A 108 LEU HBx 1.0 1.8 5.33 1158 1064 A 110 VAL HGx% A 86 GLU HGy 1.0 1.8 5.37 1159 1065 A 86 GLU HGx A 110 VAL HGy% 1.0 1.8 5.27 1160 1065 A 110 VAL HGx% A 86 GLU HGx 1.0 1.8 5.27 1161 1066 A 86 GLU HA A 86 GLU HGx 1.0 1.8 5.26 1162 1067 A 86 GLU HA A 86 GLU HGy 1.0 1.8 5.38 1163 1068 A 86 GLU HA A 86 GLU HBy 1.0 1.8 5.07 1164 1068 A 86 GLU HBx A 86 GLU HA 1.0 1.8 5.07 1165 1069 A 86 GLU HGy A 86 GLU HBy 1.0 1.8 4.88 1166 1069 A 86 GLU HBx A 86 GLU HGy 1.0 1.8 4.88 1167 1070 A 86 GLU HBy A 110 VAL HGy% 1.0 1.8 5.09 1168 1070 A 86 GLU HBx A 110 VAL HGy% 1.0 1.8 5.09 1169 1070 A 110 VAL HGx% A 86 GLU HBy 1.0 1.8 5.09 1170 1070 A 110 VAL HGx% A 86 GLU HBx 1.0 1.8 5.09 1171 1071 A 86 GLU HA A 86 GLU HGx 1.0 1.8 5.08 1172 1072 A 110 VAL HB A 86 GLU HA 1.0 1.8 5.23 1173 1073 A 86 GLU HGy A 87 ALA HA 1.0 1.8 5.29 1174 1074 A 86 GLU HGy A 41 PRO HGy 1.0 1.8 4.71 1175 1075 A 87 ALA H A 108 LEU HDx% 1.0 1.8 4.82 1176 1076 A 85 ASP HA A 87 ALA H 1.0 1.8 5.68 1177 1077 A 87 ALA H A 108 LEU HBy 1.0 1.8 5.17 1178 1078 A 108 LEU HG A 87 ALA H 1.0 1.8 5.31 1179 1079 A 108 LEU HBx A 87 ALA H 1.0 1.8 5.12 1180 1080 A 87 ALA H A 86 GLU HBy 1.0 1.8 4.81 1181 1080 A 86 GLU HBx A 87 ALA H 1.0 1.8 4.81 1182 1081 A 87 ALA H A 108 LEU H 1.0 1.8 5.32 1183 1082 A 86 GLU HA A 87 ALA H 1.0 1.8 4.57 1184 1083 A 86 GLU H A 87 ALA H 1.0 1.8 5.43 1185 1084 A 87 ALA HA A 87 ALA HB% 1.0 1.8 5.08 1186 1085 A 87 ALA HB% A 38 GLN HB2 1.0 1.8 5.20 1187 1085 A 38 GLN HB3 A 87 ALA HB% 1.0 1.8 5.20 1188 1086 A 87 ALA HB% A 38 GLN HG2 1.0 1.8 5.16 1189 1086 A 38 GLN HG3 A 87 ALA HB% 1.0 1.8 5.16 1190 1087 A 87 ALA HA A 87 ALA HB% 1.0 1.8 5.01 1191 1088 A 87 ALA HB% A 38 GLN HB2 1.0 1.8 4.90 1192 1088 A 38 GLN HB3 A 87 ALA HB% 1.0 1.8 4.90 1193 1089 A 87 ALA HB% A 38 GLN HG2 1.0 1.8 5.18 1194 1089 A 38 GLN HG3 A 87 ALA HB% 1.0 1.8 5.18 1195 1090 A 108 LEU HBx A 87 ALA HB% 1.0 1.8 4.94 1196 1091 A 84 GLU HA A 87 ALA HB% 1.0 1.8 4.77 1197 1092 A 88 ASP H A 89 TYR H 1.0 1.8 5.97 1198 1093 A 88 ASP H A 88 ASP HA 1.0 1.8 5.88 1199 1094 A 39 GLN H A 88 ASP H 1.0 1.8 5.88 1200 1095 A 88 ASP HBy A 88 ASP H 1.0 1.8 5.49 1201 1096 A 88 ASP H A 88 ASP HBx 1.0 1.8 5.66 1202 1097 A 88 ASP H A 87 ALA HA 1.0 1.8 5.13 1203 1098 A 88 ASP H A 40 ARG HBx 1.0 1.8 5.77 1204 1098 A 88 ASP H A 40 ARG HBy 1.0 1.8 5.77 1205 1099 A 38 GLN HA A 89 TYR H 1.0 1.8 5.91 1206 1100 A 89 TYR H A 88 ASP HA 1.0 1.8 4.95 1207 1101 A 88 ASP HBy A 89 TYR H 1.0 1.8 5.58 1208 1102 A 106 THR H A 89 TYR H 1.0 1.8 5.57 1209 1103 A 108 LEU HBx A 89 TYR H 1.0 1.8 5.69 1210 1104 A 88 ASP H A 89 TYR H 1.0 1.8 5.83 1211 1105 A 89 TYR HA A 89 TYR H 1.0 1.8 5.70 1212 1106 A 89 TYR H A 88 ASP HBx 1.0 1.8 5.50 1213 1107 A 89 TYR H A 89 TYR HBx 1.0 1.8 5.36 1214 1108 A 89 TYR H A 108 LEU HDy% 1.0 1.8 5.74 1215 1108 A 89 TYR H A 108 LEU HDx% 1.0 1.8 5.74 1216 1109 A 89 TYR H A 90 TYR HD% 1.0 1.8 5.20 1217 1110 A 90 TYR H A 37 TYR HA 1.0 1.8 5.90 1218 1111 A 90 TYR H A 89 TYR HA 1.0 1.8 5.32 1219 1112 A 90 TYR H A 90 TYR HBx 1.0 1.8 5.50 1220 1113 A 90 TYR H A 90 TYR HBy 1.0 1.8 5.94 1221 1114 A 6 GLN HBx A 90 TYR HA 1.0 1.8 5.17 1222 1115 A 91 CYS H A 91 CYS HB2 1.0 1.8 5.60 1223 1116 A 90 TYR HBx A 91 CYS H 1.0 1.8 5.51 1224 1117 A 91 CYS HA A 91 CYS H 1.0 1.8 5.35 1225 1118 A 90 TYR HBy A 91 CYS H 1.0 1.8 5.40 1226 1119 A 6 GLN HE22 A 91 CYS H 1.0 1.8 5.33 1227 1120 A 91 CYS HBy A 91 CYS H 1.0 1.8 5.11 1228 1121 A 90 TYR HA A 91 CYS H 1.0 1.8 4.99 1229 1122 A 90 TYR HD% A 91 CYS H 1.0 1.8 5.49 1230 1123 A 91 CYS HBy A 91 CYS HA 1.0 1.8 5.33 1231 1124 A 36 TRP HA A 91 CYS HA 1.0 1.8 5.26 1232 1125 A 91 CYS HA A 91 CYS HB2 1.0 1.8 5.33 1233 1126 A 4 LEU HDx% A 92 GLN H 1.0 1.8 5.11 1234 1127 A 36 TRP HA A 92 GLN H 1.0 1.8 5.54 1235 1128 A 91 CYS HBy A 92 GLN H 1.0 1.8 5.18 1236 1129 A 91 CYS HB2 A 92 GLN H 1.0 1.8 5.04 1237 1130 A 91 CYS HA A 92 GLN H 1.0 1.8 5.00 1238 1131 A 92 GLN H A 92 GLN HGx 1.0 1.8 5.40 1239 1131 A 92 GLN HGy A 92 GLN H 1.0 1.8 5.40 1240 1132 A 35 GLN HG2 A 92 GLN HGx 1.0 1.8 5.13 1241 1132 A 35 GLN HG3 A 92 GLN HGx 1.0 1.8 5.13 1242 1132 A 92 GLN HGy A 35 GLN HG2 1.0 1.8 5.13 1243 1132 A 35 GLN HG3 A 92 GLN HGy 1.0 1.8 5.13 1244 1133 A 93 SER H A 101 VAL H 1.0 1.8 5.76 1245 1134 A 93 SER H A 94 TYR HA 1.0 1.8 4.86 1246 1135 A 34 VAL HA A 93 SER H 1.0 1.8 5.09 1247 1136 A 93 SER H A 102 PHE HA 1.0 1.8 5.53 1248 1137 A 93 SER HBy A 93 SER H 1.0 1.8 5.61 1249 1138 A 93 SER HA A 93 SER H 1.0 1.8 5.20 1250 1139 A 93 SER H A 93 SER HBx 1.0 1.8 5.42 1251 1140 A 93 SER H A 92 GLN HA 1.0 1.8 4.97 1252 1141 A 93 SER H A 101 VAL H 1.0 1.8 5.43 1253 1142 A 93 SER H A 101 VAL HB 1.0 1.8 4.84 1254 1143 A 101 VAL HGx% A 93 SER H 1.0 1.8 5.23 1255 1144 A 93 SER H A 100 VAL HGy% 1.0 1.8 5.16 1256 1145 A 4 LEU HDx% A 93 SER H 1.0 1.8 4.93 1257 1146 A 93 SER H A 101 VAL HGy% 1.0 1.8 5.11 1258 1147 A 94 TYR HD% A 93 SER H 1.0 1.8 5.29 1259 1148 A 4 LEU HDx% A 93 SER HBy 1.0 1.8 5.38 1260 1149 A 4 LEU HDx% A 93 SER HBx 1.0 1.8 5.36 1261 1150 A 4 LEU HG A 93 SER HBx 1.0 1.8 5.34 1262 1151 A 93 SER HBx A 92 GLN HA 1.0 1.8 5.24 1263 1152 A 101 VAL HGx% A 93 SER HBx 1.0 1.8 5.41 1264 1153 A 32 ASN HD21 A 94 TYR H 1.0 1.8 5.65 1265 1154 A 94 TYR HA A 94 TYR H 1.0 1.8 5.20 1266 1155 A 94 TYR HBx A 94 TYR H 1.0 1.8 5.19 1267 1156 A 32 ASN HBx A 94 TYR H 1.0 1.8 5.05 1268 1157 A 93 SER HBx A 94 TYR H 1.0 1.8 4.99 1269 1158 A 94 TYR HBy A 94 TYR H 1.0 1.8 5.23 1270 1159 A 34 VAL HA A 94 TYR H 1.0 1.8 5.28 1271 1160 A 94 TYR HD% A 94 TYR H 1.0 1.8 4.86 1272 1161 A 94 TYR HA A 95 ASP HBy 1.0 1.8 4.97 1273 1162 A 94 TYR HA A 93 SER HBx 1.0 1.8 5.23 1274 1163 A 93 SER HBy A 94 TYR HA 1.0 1.8 5.31 1275 1164 A 101 VAL HGy% A 95 ASP H 1.0 1.8 4.81 1276 1165 A 95 ASP H A 98 ASN H 1.0 1.8 5.18 1277 1166 A 95 ASP HBy A 95 ASP H 1.0 1.8 4.82 1278 1167 A 95 ASP H A 98 ASN HA 1.0 1.8 5.06 1279 1168 A 94 TYR HBy A 95 ASP H 1.0 1.8 4.88 1280 1169 A 95 ASP H A 95 ASP HBx 1.0 1.8 4.79 1281 1170 A 94 TYR HBx A 95 ASP H 1.0 1.8 4.93 1282 1171 A 94 TYR HD% A 95 ASP H 1.0 1.8 4.95 1283 1172 A 95 ASP H A 99 HIS H 1.0 1.8 4.73 1284 1173 A 95 ASP HBx A 97 SER HBx 1.0 1.8 4.96 1285 1174 A 101 VAL HGy% A 95 ASP HBx 1.0 1.8 5.32 1286 1175 A 95 ASP HBx A 96 SER H 1.0 1.8 5.77 1287 1176 A 96 SER H A 95 ASP HA 1.0 1.8 5.61 1288 1177 A 96 SER H A 96 SER HB2 1.0 1.8 5.85 1289 1177 A 96 SER H A 96 SER HB3 1.0 1.8 5.85 1290 1178 A 95 ASP HBy A 96 SER H 1.0 1.8 5.69 1291 1179 A 96 SER HA A 96 SER H 1.0 1.8 5.77 1292 1180 A 96 SER HA A 96 SER HB2 1.0 1.8 4.62 1293 1180 A 96 SER HA A 96 SER HB3 1.0 1.8 4.62 1294 1181 A 96 SER HA A 97 SER H 1.0 1.8 5.09 1295 1182 A 97 SER HBx A 97 SER H 1.0 1.8 5.05 1296 1183 A 97 SER H A 97 SER HA 1.0 1.8 5.01 1297 1184 A 95 ASP HBx A 97 SER H 1.0 1.8 5.68 1298 1185 A 97 SER HBx A 97 SER HA 1.0 1.8 5.34 1299 1186 A 97 SER HBx A 97 SER HA 1.0 1.8 5.29 1300 1187 A 97 SER HBx A 97 SER HA 1.0 1.8 5.11 1301 1188 A 98 ASN HD21 A 98 ASN HBx 1.0 1.8 4.75 1302 1189 A 98 ASN HD21 A 98 ASN HBy 1.0 1.8 4.82 1303 1190 A 98 ASN HBx A 98 ASN HD22 1.0 1.8 5.14 1304 1191 A 98 ASN HBy A 98 ASN HD22 1.0 1.8 5.17 1305 1192 A 95 ASP H A 98 ASN H 1.0 1.8 5.49 1306 1193 A 98 ASN H A 97 SER HBx 1.0 1.8 5.37 1307 1194 A 98 ASN H A 95 ASP HBx 1.0 1.8 4.98 1308 1195 A 94 TYR HD% A 98 ASN H 1.0 1.8 5.59 1309 1196 A 98 ASN H A 98 ASN HA 1.0 1.8 4.45 1310 1197 A 98 ASN H A 98 ASN HBy 1.0 1.8 5.00 1311 1198 A 98 ASN H A 97 SER HA 1.0 1.8 4.87 1312 1199 A 94 TYR HBx A 98 ASN H 1.0 1.8 5.43 1313 1200 A 98 ASN H A 99 HIS H 1.0 1.8 4.85 1314 1201 A 98 ASN HA A 98 ASN HBy 1.0 1.8 4.99 1315 1202 A 98 ASN HA A 98 ASN HBx 1.0 1.8 5.12 1316 1203 A 98 ASN HA A 98 ASN HBy 1.0 1.8 5.17 1317 1204 A 99 HIS H A 99 HIS HBy 1.0 1.8 4.58 1318 1205 A 95 ASP HBy A 99 HIS H 1.0 1.8 5.47 1319 1206 A 94 TYR HD% A 99 HIS H 1.0 1.8 5.38 1320 1207 A 99 HIS H A 98 ASN HBy 1.0 1.8 5.39 1321 1208 A 95 ASP HBx A 99 HIS HA 1.0 1.8 5.40 1322 1209 A 99 HIS HA A 100 VAL HA 1.0 1.8 5.07 1323 1210 A 100 VAL HGy% A 100 VAL HA 1.0 1.8 5.30 1324 1211 A 100 VAL HGx% A 100 VAL HB 1.0 1.8 5.23 1325 1212 A 101 VAL HB A 100 VAL HGy% 1.0 1.8 5.06 1326 1213 A 100 VAL HGy% A 100 VAL HB 1.0 1.8 5.36 1327 1214 A 100 VAL HGy% A 92 GLN HB2 1.0 1.8 5.22 1328 1214 A 92 GLN HB3 A 100 VAL HGy% 1.0 1.8 5.22 1329 1215 A 100 VAL HGy% A 92 GLN HGx 1.0 1.8 5.34 1330 1215 A 92 GLN HGy A 100 VAL HGy% 1.0 1.8 5.34 1331 1216 A 94 TYR HD% A 101 VAL H 1.0 1.8 5.34 1332 1217 A 101 VAL H A 101 VAL HGy% 1.0 1.8 4.98 1333 1218 A 101 VAL H A 100 VAL HB 1.0 1.8 5.74 1334 1219 A 101 VAL H A 101 VAL HB 1.0 1.8 4.99 1335 1220 A 93 SER H A 101 VAL H 1.0 1.8 5.28 1336 1221 A 101 VAL H A 100 VAL HA 1.0 1.8 4.74 1337 1222 A 101 VAL H A 94 TYR HA 1.0 1.8 5.24 1338 1223 A 101 VAL H A 101 VAL HA 1.0 1.8 5.17 1339 1224 A 101 VAL H A 100 VAL HB 1.0 1.8 5.91 1340 1225 A 101 VAL H A 100 VAL HGy% 1.0 1.8 4.93 1341 1226 A 4 LEU HDx% A 101 VAL H 1.0 1.8 5.59 1342 1227 A 101 VAL H A 101 VAL HA 1.0 1.8 5.20 1343 1228 A 94 TYR HD% A 101 VAL H 1.0 1.8 5.33 1344 1229 A 101 VAL HGx% A 101 VAL HB 1.0 1.8 4.95 1345 1230 A 101 VAL HGx% A 101 VAL HA 1.0 1.8 5.16 1346 1231 A 101 VAL HGx% A 101 VAL HA 1.0 1.8 5.35 1347 1232 A 101 VAL HGx% A 101 VAL HB 1.0 1.8 4.95 1348 1233 A 101 VAL HB A 101 VAL HGy% 1.0 1.8 5.13 1349 1234 A 101 VAL HGx% A 101 VAL HB 1.0 1.8 4.64 1350 1235 A 101 VAL HGx% A 101 VAL HA 1.0 1.8 4.88 1351 1236 A 101 VAL HGx% A 102 PHE HBy 1.0 1.8 4.70 1352 1237 A 101 VAL HGx% A 101 VAL HA 1.0 1.8 5.12 1353 1238 A 93 SER HBx A 101 VAL HGy% 1.0 1.8 4.81 1354 1239 A 101 VAL HGy% A 99 HIS HBx 1.0 1.8 5.31 1355 1240 A 4 LEU HDx% A 103 GLY H 1.0 1.8 5.15 1356 1241 A 103 GLY H A 92 GLN HGx 1.0 1.8 5.52 1357 1241 A 92 GLN HGy A 103 GLY H 1.0 1.8 5.52 1358 1242 A 92 GLN HA A 103 GLY H 1.0 1.8 5.38 1359 1243 A 102 PHE HBy A 103 GLY H 1.0 1.8 5.25 1360 1244 A 103 GLY HAy A 103 GLY H 1.0 1.8 5.02 1361 1245 A 102 PHE HA A 103 GLY H 1.0 1.8 4.95 1362 1246 A 103 GLY H A 4 LEU HBy 1.0 1.8 5.30 1363 1246 A 4 LEU HBx A 103 GLY H 1.0 1.8 5.30 1364 1247 A 105 GLY H A 103 GLY H 1.0 1.8 5.32 1365 1248 A 103 GLY HAx A 103 GLY H 1.0 1.8 4.91 1366 1249 A 91 CYS H A 103 GLY H 1.0 1.8 5.53 1367 1250 A 103 GLY H A 102 PHE HBx 1.0 1.8 5.25 1368 1251 A 4 LEU HDx% A 103 GLY HAx 1.0 1.8 5.52 1369 1252 A 6 GLN HBx A 105 GLY H 1.0 1.8 5.51 1370 1253 A 105 GLY H A 90 TYR HD% 1.0 1.8 5.31 1371 1254 A 105 GLY H A 90 TYR HBx 1.0 1.8 5.46 1372 1255 A 6 GLN HE22 A 105 GLY H 1.0 1.8 5.61 1373 1256 A 105 GLY H A 103 GLY HAy 1.0 1.8 5.73 1374 1257 A 6 GLN HBy A 105 GLY H 1.0 1.8 5.68 1375 1258 A 105 GLY H A 104 GLY HAy 1.0 1.8 5.10 1376 1259 A 105 GLY HAx A 105 GLY H 1.0 1.8 5.02 1377 1260 A 6 GLN HGx A 105 GLY H 1.0 1.8 5.50 1378 1261 A 106 THR H A 105 GLY H 1.0 1.8 5.43 1379 1262 A 105 GLY H A 91 CYS H 1.0 1.8 5.23 1380 1263 A 90 TYR HA A 105 GLY H 1.0 1.8 5.72 1381 1264 A 105 GLY HAy A 105 GLY H 1.0 1.8 5.09 1382 1265 A 105 GLY H A 90 TYR HE% 1.0 1.8 5.34 1383 1266 A 6 GLN HE21 A 106 THR H 1.0 1.8 5.66 1384 1267 A 6 GLN HE22 A 106 THR H 1.0 1.8 5.58 1385 1268 A 106 THR H A 106 THR HA 1.0 1.8 5.56 1386 1269 A 106 THR H A 105 GLY HAx 1.0 1.8 5.25 1387 1270 A 106 THR H A 89 TYR H 1.0 1.8 5.63 1388 1271 A 106 THR H A 105 GLY H 1.0 1.8 5.50 1389 1272 A 106 THR H A 105 GLY HAy 1.0 1.8 5.23 1390 1273 A 106 THR H A 106 THR HG2% 1.0 1.8 5.40 1391 1274 A 105 GLY HAy A 106 THR HA 1.0 1.8 5.30 1392 1275 A 106 THR HG2% A 106 THR HA 1.0 1.8 5.07 1393 1276 A 9 SER HA A 106 THR HG2% 1.0 1.8 5.06 1394 1277 A 7 PRO HDx A 106 THR HG2% 1.0 1.8 5.30 1395 1278 A 106 THR HG2% A 106 THR HB 1.0 1.8 4.96 1396 1279 A 106 THR HG2% A 10 VAL HB 1.0 1.8 4.98 1397 1280 A 7 PRO HDx A 106 THR HG2% 1.0 1.8 5.06 1398 1281 A 106 THR HG2% A 106 THR HB 1.0 1.8 5.20 1399 1282 A 106 THR HA A 9 SER HBx 1.0 1.8 5.45 1400 1282 A 9 SER HBy A 106 THR HA 1.0 1.8 5.45 1401 1283 A 106 THR HG2% A 106 THR HA 1.0 1.8 4.92 1402 1284 A 106 THR HG2% A 107 LYS H 1.0 1.8 5.08 1403 1285 A 107 LYS H A 107 LYS HB2 1.0 1.8 4.87 1404 1285 A 107 LYS HB3 A 107 LYS H 1.0 1.8 4.87 1405 1286 A 107 LYS H A 9 SER HBx 1.0 1.8 5.32 1406 1286 A 9 SER HBy A 107 LYS H 1.0 1.8 5.32 1407 1287 A 107 LYS H A 107 LYS HG2 1.0 1.8 5.40 1408 1287 A 107 LYS H A 107 LYS HG3 1.0 1.8 5.40 1409 1288 A 9 SER HA A 107 LYS H 1.0 1.8 5.05 1410 1289 A 107 LYS H A 106 THR HA 1.0 1.8 4.91 1411 1290 A 9 SER H A 107 LYS H 1.0 1.8 5.80 1412 1291 A 10 VAL H A 107 LYS H 1.0 1.8 5.40 1413 1292 A 107 LYS HB2 A 107 LYS HG2 1.0 1.8 5.35 1414 1292 A 107 LYS HB3 A 107 LYS HG2 1.0 1.8 5.35 1415 1292 A 107 LYS HG3 A 107 LYS HB2 1.0 1.8 5.35 1416 1292 A 107 LYS HB3 A 107 LYS HG3 1.0 1.8 5.35 1417 1293 A 106 THR HB A 107 LYS HA 1.0 1.8 5.06 1418 1294 A 88 ASP HBx A 107 LYS HB2 1.0 1.8 5.19 1419 1294 A 107 LYS HB3 A 88 ASP HBx 1.0 1.8 5.19 1420 1295 A 107 LYS HD3 A 107 LYS HE2 1.0 1.8 4.87 1421 1295 A 107 LYS HD2 A 107 LYS HE2 1.0 1.8 4.87 1422 1295 A 107 LYS HE3 A 107 LYS HD2 1.0 1.8 4.87 1423 1295 A 107 LYS HE3 A 107 LYS HD3 1.0 1.8 4.87 1424 1296 A 106 THR HB A 107 LYS HA 1.0 1.8 4.94 1425 1297 A 108 LEU H A 108 LEU HDx% 1.0 1.8 5.06 1426 1298 A 108 LEU H A 107 LYS HB2 1.0 1.8 5.20 1427 1298 A 107 LYS HB3 A 108 LEU H 1.0 1.8 5.20 1428 1299 A 87 ALA H A 108 LEU H 1.0 1.8 5.52 1429 1300 A 109 THR H A 108 LEU H 1.0 1.8 5.52 1430 1301 A 108 LEU HBy A 108 LEU H 1.0 1.8 5.19 1431 1302 A 108 LEU HBx A 108 LEU H 1.0 1.8 4.88 1432 1303 A 107 LYS H A 108 LEU H 1.0 1.8 5.69 1433 1304 A 108 LEU H A 108 LEU HA 1.0 1.8 5.27 1434 1305 A 108 LEU H A 88 ASP HA 1.0 1.8 5.40 1435 1306 A 108 LEU H A 38 GLN HG2 1.0 1.8 5.44 1436 1306 A 38 GLN HG3 A 108 LEU H 1.0 1.8 5.44 1437 1307 A 108 LEU H A 89 TYR HE% 1.0 1.8 5.58 1438 1308 A 109 THR HG2% A 109 THR H 1.0 1.8 5.01 1439 1309 A 109 THR H A 108 LEU HBy 1.0 1.8 5.48 1440 1310 A 109 THR HB A 109 THR H 1.0 1.8 4.75 1441 1311 A 109 THR H A 108 LEU HA 1.0 1.8 4.48 1442 1312 A 109 THR H A 109 THR HA 1.0 1.8 4.97 1443 1313 A 109 THR H A 110 VAL H 1.0 1.8 5.34 1444 1314 A 12 GLU H A 109 THR H 1.0 1.8 5.18 1445 1315 A 109 THR H A 108 LEU HDx% 1.0 1.8 4.53 1446 1316 A 109 THR HG2% A 109 THR HA 1.0 1.8 5.07 1447 1317 A 86 GLU HGx A 109 THR HA 1.0 1.8 5.23 1448 1318 A 86 GLU HGy A 109 THR HA 1.0 1.8 5.39 1449 1319 A 109 THR HB A 109 THR HA 1.0 1.8 5.27 1450 1320 A 109 THR HB A 109 THR HG2% 1.0 1.8 4.83 1451 1321 A 109 THR HB A 109 THR HG2% 1.0 1.8 5.36 1452 1322 A 109 THR HB A 109 THR HG2% 1.0 1.8 4.65 1453 1323 A 108 LEU HBx A 109 THR HA 1.0 1.8 5.22 1454 1324 A 109 THR HG2% A 110 VAL H 1.0 1.8 4.66 1455 1325 A 110 VAL HGx% A 110 VAL H 1.0 1.8 4.60 1456 1326 A 109 THR H A 110 VAL H 1.0 1.8 5.33 1457 1327 A 86 GLU HGx A 110 VAL H 1.0 1.8 4.74 1458 1328 A 109 THR HB A 110 VAL H 1.0 1.8 4.93 1459 1329 A 109 THR HA A 110 VAL H 1.0 1.8 4.45 1460 1330 A 86 GLU HA A 110 VAL H 1.0 1.8 5.60 1461 1331 A 110 VAL HB A 110 VAL H 1.0 1.8 4.72 1462 1332 A 110 VAL H A 111 LEU H 1.0 1.8 5.39 1463 1333 A 110 VAL HA A 110 VAL H 1.0 1.8 5.08 1464 1334 A 108 LEU HG A 110 VAL H 1.0 1.8 5.30 1465 1335 A 110 VAL HB A 110 VAL HGy% 1.0 1.8 5.01 1466 1335 A 110 VAL HGx% A 110 VAL HB 1.0 1.8 5.01 1467 1336 A 110 VAL HGx% A 110 VAL HB 1.0 1.8 5.12 1468 1337 A 110 VAL HA A 110 VAL HGy% 1.0 1.8 5.01 1469 1337 A 110 VAL HA A 110 VAL HGx% 1.0 1.8 5.01 1470 1338 A 110 VAL HGx% A 110 VAL HB 1.0 1.8 4.91 1471 1339 A 14 PRO HBx A 110 VAL HGy% 1.0 1.8 5.23 1472 1340 A 83 THR HA A 110 VAL HGx% 1.0 1.8 5.10 1473 1341 A 110 VAL HA A 110 VAL HGx% 1.0 1.8 5.11 1474 1342 A 110 VAL HA A 110 VAL HGy% 1.0 1.8 5.16 1475 1343 A 110 VAL HA A 14 PRO HDx 1.0 1.8 5.49 1476 1344 A 110 VAL HA A 110 VAL HGy% 1.0 1.8 4.90 1477 1345 A 14 PRO HA A 110 VAL HGy% 1.0 1.8 5.26 1478 1346 A 110 VAL HA A 110 VAL HGy% 1.0 1.8 5.21 1479 1347 A 110 VAL HGx% A 86 GLU HA 1.0 1.8 5.28 1480 1348 A 14 PRO HDx A 110 VAL HGy% 1.0 1.8 5.38 1481 1349 A 110 VAL HA A 111 LEU H 1.0 1.8 4.31 1482 1350 A 111 LEU H A 14 PRO HDx 1.0 1.8 5.05 1483 1351 A 110 VAL HB A 111 LEU H 1.0 1.8 5.29 1484 1352 A 111 LEU HBy A 111 LEU H 1.0 1.8 4.96 1485 1353 A 111 LEU H A 111 LEU HA 1.0 1.8 4.70 1486 1354 A 110 VAL H A 111 LEU H 1.0 1.8 5.39 1487 1355 A 111 LEU H A 110 VAL HGy% 1.0 1.8 4.40 1488 1356 A 111 LEU HBx A 111 LEU H 1.0 1.8 4.46 1489 1357 A 14 PRO HGx A 111 LEU H 1.0 1.8 5.62 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-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 22 CYS SG A 91 CYS SG 1.0 1.92 2.12 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 23 THR H A 5 THR O 1.0 1.5 2.3 2 2 A 5 THR O A 23 THR N 1.0 2.4 3.3 3 3 A 109 THR H A 10 VAL O 1.0 1.5 2.3 4 4 A 10 VAL O A 109 THR N 1.0 2.4 3.3 5 5 A 78 ILE H A 18 VAL O 1.0 1.5 2.3 6 6 A 18 VAL O A 78 ILE N 1.0 2.4 3.3 7 7 A 76 LEU H A 20 ILE O 1.0 1.5 2.3 8 8 A 20 ILE O A 76 LEU N 1.0 2.4 3.3 9 9 A 74 ALA H A 22 CYS O 1.0 1.5 2.3 10 10 A 22 CYS O A 74 ALA N 1.0 2.4 3.3 11 11 A 92 GLN H A 35 GLN O 1.0 1.5 2.3 12 12 A 35 GLN O A 92 GLN N 1.0 2.4 3.3 13 13 A 48 VAL H A 36 TRP O 1.0 1.5 2.3 14 14 A 36 TRP O A 48 VAL N 1.0 2.4 3.3 15 15 A 90 TYR H A 37 TYR O 1.0 1.5 2.3 16 16 A 37 TYR O A 90 TYR N 1.0 2.4 3.3 17 17 A 46 THR H A 38 GLN O 1.0 1.5 2.3 18 18 A 38 GLN O A 46 THR N 1.0 2.4 3.3 19 19 A 88 ASP H A 39 GLN O 1.0 1.5 2.3 20 20 A 39 GLN O A 88 ASP N 1.0 2.4 3.3 21 21 A 36 TRP H A 49 ILE O 1.0 1.5 2.3 22 22 A 49 ILE O A 36 TRP N 1.0 2.4 3.3 23 23 A 54 GLN H A 50 TYR O 1.0 1.5 2.3 24 24 A 50 TYR O A 54 GLN N 1.0 2.4 3.3 25 25 A 50 TYR H A 54 GLN O 1.0 1.5 2.3 26 26 A 54 GLN O A 50 TYR N 1.0 2.4 3.3 27 27 A 77 THR H A 64 SER O 1.0 1.5 2.3 28 28 A 64 SER O A 77 THR N 1.0 2.4 3.3 29 29 A 75 SER H A 66 SER O 1.0 1.5 2.3 30 30 A 66 SER O A 75 SER N 1.0 2.4 3.3 31 31 A 66 SER H A 75 SER O 1.0 1.5 2.3 32 32 A 75 SER O A 66 SER N 1.0 2.4 3.3 33 33 A 20 ILE H A 76 LEU O 1.0 1.5 2.3 34 34 A 76 LEU O A 20 ILE N 1.0 2.4 3.3 35 35 A 64 SER H A 77 THR O 1.0 1.5 2.3 36 36 A 77 THR O A 64 SER N 1.0 2.4 3.3 37 37 A 18 VAL H A 78 ILE O 1.0 1.5 2.3 38 38 A 78 ILE O A 18 VAL N 1.0 2.4 3.3 39 39 A 108 LEU H A 87 ALA O 1.0 1.5 2.3 40 40 A 87 ALA O A 108 LEU N 1.0 2.4 3.3 41 41 A 39 GLN H A 88 ASP O 1.0 1.5 2.3 42 42 A 88 ASP O A 39 GLN N 1.0 2.4 3.3 43 43 A 106 THR H A 89 TYR O 1.0 1.5 2.3 44 44 A 89 TYR O A 106 THR N 1.0 2.4 3.3 45 45 A 37 TYR H A 90 TYR O 1.0 1.5 2.3 46 46 A 90 TYR O A 37 TYR N 1.0 2.4 3.3 47 47 A 103 GLY H A 91 CYS O 1.0 1.5 2.3 48 48 A 91 CYS O A 103 GLY N 1.0 2.4 3.3 49 49 A 35 GLN H A 92 GLN O 1.0 1.5 2.3 50 50 A 92 GLN O A 35 GLN N 1.0 2.4 3.3 51 51 A 101 VAL H A 93 SER O 1.0 1.5 2.3 52 52 A 93 SER O A 101 VAL N 1.0 2.4 3.3 53 53 A 93 SER H A 101 VAL O 1.0 1.5 2.3 54 54 A 101 VAL O A 93 SER N 1.0 2.4 3.3 55 55 A 89 TYR H A 106 THR O 1.0 1.5 2.3 56 56 A 106 THR O A 89 TYR N 1.0 2.4 3.3 57 57 A 10 VAL H A 107 LYS O 1.0 1.5 2.3 58 58 A 107 LYS O A 10 VAL N 1.0 2.4 3.3 59 59 A 87 ALA H A 108 LEU O 1.0 1.5 2.3 60 60 A 108 LEU O A 87 ALA N 1.0 2.4 3.3 61 61 A 12 GLU H A 109 THR O 1.0 1.5 2.3 62 62 A 109 THR O A 12 GLU N 1.0 2.4 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _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 PHE N A 2 PHE CA A 2 PHE C 1.0 -169.0 -69.0 PHI 2 2 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 MET N 1.0 90.0 178.0 PSI 3 3 A 2 PHE C A 3 MET N A 3 MET CA A 3 MET C 1.0 -156.0 -112.0 PHI 4 4 A 3 MET N A 3 MET CA A 3 MET C A 4 LEU N 1.0 137.0 177.0 PSI 5 5 A 3 MET C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -146.0 -74.0 PHI 6 6 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 THR N 1.0 118.0 158.0 PSI 7 7 A 4 LEU C A 5 THR N A 5 THR CA A 5 THR C 1.0 -129.0 -77.0 PHI 8 8 A 5 THR N A 5 THR CA A 5 THR C A 6 GLN N 1.0 99.0 147.0 PSI 9 9 A 5 THR C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -146.0 -74.0 PHI 10 10 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 PRO N 1.0 108.0 200.0 PSI 11 11 A 6 GLN C A 7 PRO N A 7 PRO CA A 7 PRO C 1.0 -84.0 -44.0 PHI 12 12 A 7 PRO N A 7 PRO CA A 7 PRO C A 8 HIS N 1.0 125.0 165.0 PSI 13 13 A 7 PRO C A 8 HIS N A 8 HIS CA A 8 HIS C 1.0 -125.0 -49.0 PHI 14 14 A 8 HIS N A 8 HIS CA A 8 HIS C A 9 SER N 1.0 -58.0 -2.0 PSI 15 15 A 8 HIS C A 9 SER N A 9 SER CA A 9 SER C 1.0 -180.0 -124.0 PHI 16 16 A 9 SER N A 9 SER CA A 9 SER C A 10 VAL N 1.0 121.0 177.0 PSI 17 17 A 9 SER C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -166.0 -106.0 PHI 18 18 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 SER N 1.0 106.0 190.0 PSI 19 19 A 10 VAL C A 11 SER N A 11 SER CA A 11 SER C 1.0 -141.0 -81.0 PHI 20 20 A 11 SER N A 11 SER CA A 11 SER C A 12 GLU N 1.0 122.0 166.0 PSI 21 21 A 11 SER C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -156.0 -104.0 PHI 22 22 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 SER N 1.0 126.0 166.0 PSI 23 23 A 12 GLU C A 13 SER N A 13 SER CA A 13 SER C 1.0 -166.0 -26.0 PHI 24 24 A 13 SER N A 13 SER CA A 13 SER C A 14 PRO N 1.0 106.0 198.0 PSI 25 25 A 13 SER C A 14 PRO N A 14 PRO CA A 14 PRO C 1.0 -77.0 -37.0 PHI 26 26 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 GLY N 1.0 115.0 159.0 PSI 27 27 A 14 PRO C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 62.0 118.0 PHI 28 28 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 LYS N 1.0 -40.0 16.0 PSI 29 29 A 15 GLY C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -103.0 -63.0 PHI 30 30 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 THR N 1.0 63.0 203.0 PSI 31 31 A 16 LYS C A 17 THR N A 17 THR CA A 17 THR C 1.0 -140.0 -84.0 PHI 32 32 A 17 THR N A 17 THR CA A 17 THR C A 18 VAL N 1.0 112.0 168.0 PSI 33 33 A 17 THR C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -163.0 -95.0 PHI 34 34 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 THR N 1.0 120.0 164.0 PSI 35 35 A 18 VAL C A 19 THR N A 19 THR CA A 19 THR C 1.0 -134.0 -94.0 PHI 36 36 A 19 THR N A 19 THR CA A 19 THR C A 20 ILE N 1.0 109.0 149.0 PSI 37 37 A 19 THR C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -155.0 -79.0 PHI 38 38 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 SER N 1.0 109.0 153.0 PSI 39 39 A 20 ILE C A 21 SER N A 21 SER CA A 21 SER C 1.0 -152.0 -72.0 PHI 40 40 A 21 SER N A 21 SER CA A 21 SER C A 22 CYS N 1.0 99.0 163.0 PSI 41 41 A 21 SER C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -154.0 -114.0 PHI 42 42 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 THR N 1.0 117.0 161.0 PSI 43 43 A 22 CYS C A 23 THR N A 23 THR CA A 23 THR C 1.0 -113.0 -65.0 PHI 44 44 A 23 THR N A 23 THR CA A 23 THR C A 24 GLY N 1.0 109.0 149.0 PSI 45 45 A 23 THR C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 -211.0 -71.0 PHI 46 46 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 SER N 1.0 117.0 205.0 PSI 47 47 A 27 GLY C A 28 SER N A 28 SER CA A 28 SER C 1.0 -128.0 -60.0 PHI 48 48 A 28 SER N A 28 SER CA A 28 SER C A 29 ILE N 1.0 100.0 144.0 PSI 49 49 A 28 SER C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -115.0 -47.0 PHI 50 50 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 ALA N 1.0 -58.0 18.0 PSI 51 51 A 30 ALA C A 31 SER N A 31 SER CA A 31 SER C 1.0 -106.0 -58.0 PHI 52 52 A 31 SER N A 31 SER CA A 31 SER C A 32 ASN N 1.0 -77.0 11.0 PSI 53 53 A 32 ASN C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -137.0 -73.0 PHI 54 54 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 VAL N 1.0 111.0 151.0 PSI 55 55 A 33 TYR C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -138.0 -98.0 PHI 56 56 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 GLN N 1.0 108.0 148.0 PSI 57 57 A 34 VAL C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -149.0 -109.0 PHI 58 58 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 TRP N 1.0 138.0 178.0 PSI 59 59 A 35 GLN C A 36 TRP N A 36 TRP CA A 36 TRP C 1.0 -153.0 -85.0 PHI 60 60 A 36 TRP N A 36 TRP CA A 36 TRP C A 37 TYR N 1.0 122.0 166.0 PSI 61 61 A 36 TRP C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -162.0 -98.0 PHI 62 62 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 GLN N 1.0 114.0 154.0 PSI 63 63 A 37 TYR C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -175.0 -95.0 PHI 64 64 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 GLN N 1.0 108.0 148.0 PSI 65 65 A 38 GLN C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -137.0 -85.0 PHI 66 66 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 ARG N 1.0 94.0 134.0 PSI 67 67 A 39 GLN C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -145.0 -41.0 PHI 68 68 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 PRO N 1.0 52.0 192.0 PSI 69 69 A 40 ARG C A 41 PRO N A 41 PRO CA A 41 PRO C 1.0 -76.0 -36.0 PHI 70 70 A 41 PRO N A 41 PRO CA A 41 PRO C A 42 GLY N 1.0 116.0 160.0 PSI 71 71 A 41 PRO C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 65.0 113.0 PHI 72 72 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 SER N 1.0 -31.0 9.0 PSI 73 73 A 42 GLY C A 43 SER N A 43 SER CA A 43 SER C 1.0 -157.0 -37.0 PHI 74 74 A 43 SER N A 43 SER CA A 43 SER C A 44 SER N 1.0 134.0 178.0 PSI 75 75 A 43 SER C A 44 SER N A 44 SER CA A 44 SER C 1.0 -163.0 -47.0 PHI 76 76 A 44 SER N A 44 SER CA A 44 SER C A 45 PRO N 1.0 111.0 219.0 PSI 77 77 A 45 PRO C A 46 THR N A 46 THR CA A 46 THR C 1.0 -140.0 -56.0 PHI 78 78 A 46 THR N A 46 THR CA A 46 THR C A 47 THR N 1.0 90.0 182.0 PSI 79 79 A 46 THR C A 47 THR N A 47 THR CA A 47 THR C 1.0 -111.0 -47.0 PHI 80 80 A 47 THR N A 47 THR CA A 47 THR C A 48 VAL N 1.0 -51.0 -3.0 PSI 81 81 A 48 VAL C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -145.0 -105.0 PHI 82 82 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 TYR N 1.0 132.0 176.0 PSI 83 83 A 49 ILE C A 50 TYR N A 50 TYR CA A 50 TYR C 1.0 -190.0 -82.0 PHI 84 84 A 50 TYR N A 50 TYR CA A 50 TYR C A 51 GLU N 1.0 133.0 189.0 PSI 85 85 A 50 TYR C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 33.0 73.0 PHI 86 86 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 ASP N 1.0 19.0 59.0 PSI 87 87 A 51 GLU C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 37.0 77.0 PHI 88 88 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 ASN N 1.0 14.0 54.0 PSI 89 89 A 52 ASP C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -113.0 -61.0 PHI 90 90 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 GLN N 1.0 -54.0 34.0 PSI 91 91 A 53 ASN C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -188.0 -48.0 PHI 92 92 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 ARG N 1.0 69.0 197.0 PSI 93 93 A 54 GLN C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -155.0 -63.0 PHI 94 94 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 PRO N 1.0 109.0 205.0 PSI 95 95 A 55 ARG C A 56 PRO N A 56 PRO CA A 56 PRO C 1.0 -88.0 -48.0 PHI 96 96 A 56 PRO N A 56 PRO CA A 56 PRO C A 57 SER N 1.0 128.0 172.0 PSI 97 97 A 56 PRO C A 57 SER N A 57 SER CA A 57 SER C 1.0 -82.0 -42.0 PHI 98 98 A 57 SER N A 57 SER CA A 57 SER C A 58 GLY N 1.0 118.0 158.0 PSI 99 99 A 57 SER C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 65.0 117.0 PHI 100 100 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 VAL N 1.0 -40.0 16.0 PSI 101 101 A 58 GLY C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -141.0 -49.0 PHI 102 102 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 PRO N 1.0 76.0 204.0 PSI 103 103 A 59 VAL C A 60 PRO N A 60 PRO CA A 60 PRO C 1.0 -79.0 -39.0 PHI 104 104 A 60 PRO N A 60 PRO CA A 60 PRO C A 61 ASP N 1.0 126.0 166.0 PSI 105 105 A 60 PRO C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 38.0 86.0 PHI 106 106 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 ARG N 1.0 2.0 66.0 PSI 107 107 A 61 ASP C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 40.0 84.0 PHI 108 108 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 PHE N 1.0 -8.0 52.0 PSI 109 109 A 62 ARG C A 63 PHE N A 63 PHE CA A 63 PHE C 1.0 -136.0 -44.0 PHI 110 110 A 63 PHE N A 63 PHE CA A 63 PHE C A 64 SER N 1.0 72.0 212.0 PSI 111 111 A 63 PHE C A 64 SER N A 64 SER CA A 64 SER C 1.0 -187.0 -75.0 PHI 112 112 A 64 SER N A 64 SER CA A 64 SER C A 65 GLY N 1.0 116.0 188.0 PSI 113 113 A 65 GLY C A 66 SER N A 66 SER CA A 66 SER C 1.0 -170.0 -82.0 PHI 114 114 A 66 SER N A 66 SER CA A 66 SER C A 67 ILE N 1.0 127.0 167.0 PSI 115 115 A 66 SER C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -139.0 -91.0 PHI 116 116 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 ASP N 1.0 107.0 147.0 PSI 117 117 A 67 ILE C A 68 ASP N A 68 ASP CA A 68 ASP C 1.0 -124.0 -52.0 PHI 118 118 A 68 ASP N A 68 ASP CA A 68 ASP C A 69 SER N 1.0 63.0 187.0 PSI 119 119 A 68 ASP C A 69 SER N A 69 SER CA A 69 SER C 1.0 -76.0 -36.0 PHI 120 120 A 69 SER N A 69 SER CA A 69 SER C A 70 SER N 1.0 -55.0 -15.0 PSI 121 121 A 69 SER C A 70 SER N A 70 SER CA A 70 SER C 1.0 -90.0 -50.0 PHI 122 122 A 70 SER N A 70 SER CA A 70 SER C A 71 SER N 1.0 -51.0 5.0 PSI 123 123 A 70 SER C A 71 SER N A 71 SER CA A 71 SER C 1.0 -115.0 -75.0 PHI 124 124 A 71 SER N A 71 SER CA A 71 SER C A 72 ASN N 1.0 -23.0 17.0 PSI 125 125 A 72 ASN C A 73 SER N A 73 SER CA A 73 SER C 1.0 -182.0 -94.0 PHI 126 126 A 73 SER N A 73 SER CA A 73 SER C A 74 ALA N 1.0 118.0 186.0 PSI 127 127 A 73 SER C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -156.0 -100.0 PHI 128 128 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 SER N 1.0 112.0 180.0 PSI 129 129 A 74 ALA C A 75 SER N A 75 SER CA A 75 SER C 1.0 -165.0 -93.0 PHI 130 130 A 75 SER N A 75 SER CA A 75 SER C A 76 LEU N 1.0 117.0 157.0 PSI 131 131 A 75 SER C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -160.0 -68.0 PHI 132 132 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 THR N 1.0 102.0 142.0 PSI 133 133 A 76 LEU C A 77 THR N A 77 THR CA A 77 THR C 1.0 -154.0 -94.0 PHI 134 134 A 77 THR N A 77 THR CA A 77 THR C A 78 ILE N 1.0 105.0 153.0 PSI 135 135 A 77 THR C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -157.0 -77.0 PHI 136 136 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 SER N 1.0 96.0 164.0 PSI 137 137 A 78 ILE C A 79 SER N A 79 SER CA A 79 SER C 1.0 -159.0 -55.0 PHI 138 138 A 79 SER N A 79 SER CA A 79 SER C A 80 GLY N 1.0 99.0 195.0 PSI 139 139 A 79 SER C A 80 GLY N A 80 GLY CA A 80 GLY C 1.0 28.0 104.0 PHI 140 140 A 80 GLY N A 80 GLY CA A 80 GLY C A 81 LEU N 1.0 -33.0 79.0 PSI 141 141 A 80 GLY C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -96.0 -56.0 PHI 142 142 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 LYS N 1.0 113.0 165.0 PSI 143 143 A 81 LEU C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -153.0 -57.0 PHI 144 144 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 THR N 1.0 101.0 213.0 PSI 145 145 A 82 LYS C A 83 THR N A 83 THR CA A 83 THR C 1.0 -78.0 -38.0 PHI 146 146 A 83 THR N A 83 THR CA A 83 THR C A 84 GLU N 1.0 -57.0 -13.0 PSI 147 147 A 83 THR C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -87.0 -47.0 PHI 148 148 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 ASP N 1.0 -53.0 27.0 PSI 149 149 A 84 GLU C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -113.0 -41.0 PHI 150 150 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 GLU N 1.0 -79.0 33.0 PSI 151 151 A 85 ASP C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -137.0 -53.0 PHI 152 152 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 ALA N 1.0 -49.0 31.0 PSI 153 153 A 86 GLU C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -175.0 -35.0 PHI 154 154 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 ASP N 1.0 80.0 200.0 PSI 155 155 A 87 ALA C A 88 ASP N A 88 ASP CA A 88 ASP C 1.0 -161.0 -73.0 PHI 156 156 A 88 ASP N A 88 ASP CA A 88 ASP C A 89 TYR N 1.0 127.0 167.0 PSI 157 157 A 88 ASP C A 89 TYR N A 89 TYR CA A 89 TYR C 1.0 -162.0 -90.0 PHI 158 158 A 89 TYR N A 89 TYR CA A 89 TYR C A 90 TYR N 1.0 119.0 179.0 PSI 159 159 A 89 TYR C A 90 TYR N A 90 TYR CA A 90 TYR C 1.0 -159.0 -103.0 PHI 160 160 A 90 TYR N A 90 TYR CA A 90 TYR C A 91 CYS N 1.0 122.0 166.0 PSI 161 161 A 90 TYR C A 91 CYS N A 91 CYS CA A 91 CYS C 1.0 -156.0 -116.0 PHI 162 162 A 91 CYS N A 91 CYS CA A 91 CYS C A 92 GLN N 1.0 136.0 176.0 PSI 163 163 A 91 CYS C A 92 GLN N A 92 GLN CA A 92 GLN C 1.0 -161.0 -109.0 PHI 164 164 A 92 GLN N A 92 GLN CA A 92 GLN C A 93 SER N 1.0 113.0 153.0 PSI 165 165 A 92 GLN C A 93 SER N A 93 SER CA A 93 SER C 1.0 -144.0 -84.0 PHI 166 166 A 93 SER N A 93 SER CA A 93 SER C A 94 TYR N 1.0 104.0 148.0 PSI 167 167 A 93 SER C A 94 TYR N A 94 TYR CA A 94 TYR C 1.0 -170.0 -98.0 PHI 168 168 A 94 TYR N A 94 TYR CA A 94 TYR C A 95 ASP N 1.0 134.0 186.0 PSI 169 169 A 94 TYR C A 95 ASP N A 95 ASP CA A 95 ASP C 1.0 -116.0 -60.0 PHI 170 170 A 95 ASP N A 95 ASP CA A 95 ASP C A 96 SER N 1.0 148.0 192.0 PSI 171 171 A 95 ASP C A 96 SER N A 96 SER CA A 96 SER C 1.0 -81.0 -33.0 PHI 172 172 A 96 SER N A 96 SER CA A 96 SER C A 97 SER N 1.0 -52.0 4.0 PSI 173 173 A 96 SER C A 97 SER N A 97 SER CA A 97 SER C 1.0 -125.0 -69.0 PHI 174 174 A 97 SER N A 97 SER CA A 97 SER C A 98 ASN N 1.0 -4.0 36.0 PSI 175 175 A 97 SER C A 98 ASN N A 98 ASN CA A 98 ASN C 1.0 42.0 82.0 PHI 176 176 A 98 ASN N A 98 ASN CA A 98 ASN C A 99 HIS N 1.0 12.0 52.0 PSI 177 177 A 98 ASN C A 99 HIS N A 99 HIS CA A 99 HIS C 1.0 -113.0 -61.0 PHI 178 178 A 99 HIS N A 99 HIS CA A 99 HIS C A 100 VAL N 1.0 111.0 163.0 PSI 179 179 A 99 HIS C A 100 VAL N A 100 VAL CA A 100 VAL C 1.0 -117.0 -57.0 PHI 180 180 A 100 VAL N A 100 VAL CA A 100 VAL C A 101 VAL N 1.0 110.0 150.0 PSI 181 181 A 100 VAL C A 101 VAL N A 101 VAL CA A 101 VAL C 1.0 -170.0 -58.0 PHI 182 182 A 101 VAL N A 101 VAL CA A 101 VAL C A 102 PHE N 1.0 140.0 180.0 PSI 183 183 A 101 VAL C A 102 PHE N A 102 PHE CA A 102 PHE C 1.0 -159.0 -91.0 PHI 184 184 A 102 PHE N A 102 PHE CA A 102 PHE C A 103 GLY N 1.0 126.0 178.0 PSI 185 185 A 105 GLY C A 106 THR N A 106 THR CA A 106 THR C 1.0 -165.0 -97.0 PHI 186 186 A 106 THR N A 106 THR CA A 106 THR C A 107 LYS N 1.0 104.0 156.0 PSI 187 187 A 106 THR C A 107 LYS N A 107 LYS CA A 107 LYS C 1.0 -135.0 -51.0 PHI 188 188 A 107 LYS N A 107 LYS CA A 107 LYS C A 108 LEU N 1.0 88.0 148.0 PSI 189 189 A 107 LYS C A 108 LEU N A 108 LEU CA A 108 LEU C 1.0 -127.0 -75.0 PHI 190 190 A 108 LEU N A 108 LEU CA A 108 LEU C A 109 THR N 1.0 100.0 140.0 PSI 191 191 A 108 LEU C A 109 THR N A 109 THR CA A 109 THR C 1.0 -140.0 -100.0 PHI 192 192 A 109 THR N A 109 THR CA A 109 THR C A 110 VAL N 1.0 104.0 160.0 PSI 193 193 A 109 THR C A 110 VAL N A 110 VAL CA A 110 VAL C 1.0 -147.0 -59.0 PHI 194 194 A 110 VAL N A 110 VAL CA A 110 VAL C A 111 LEU N 1.0 91.0 151.0 PSI stop_ save_