data_25355 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; EphB2 kinase domain and juxtamembrane segment, S677A/S680A/D754A ; _BMRB_accession_number 25355 _BMRB_flat_file_name bmr25355.str _Entry_type original _Submission_date 2014-11-20 _Accession_date 2014-11-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lundstrom Patrik . . 2 Ahlner Alexandra . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 240 "13C chemical shifts" 799 "15N chemical shifts" 240 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-19 update BMRB 'update entry citation' 2014-12-19 original author 'original release' stop_ _Original_release_date 2015-08-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25569628 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Niklasson Markus . . 2 Ahlner Alexandra . . 3 Andresen Cecilia . . 4 Marsh Joseph A. . 5 Lundstrom Patrik . . stop_ _Journal_abbreviation 'PLOS Comput. Biol.' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1004022 _Page_last e1004022 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EphB2 kinase domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EphB2 kinase domain' $EphB2_kinase_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EphB2_kinase_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EphB2_kinase_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 310 _Mol_residue_sequence ; MTPGMKIYIDPFTYEDPNEA VREFAKEIDISCVKIEQVIG AGEFGEVCSGHLKLPGKREI FVAIKTLKSGYTEKQRRDFL AEAAIMGQFDHPNVIHLEGV VTKSTPVMIITEFMENGSLD SFLRQNDGQFTVIQLVGMLR GIAAGMKYLADMNYVHRDLA ARNILVNSNLVCKVSDFGLS RFLEDDTSDPTYTSALGGKI PIRWTAPEAIQYRKFTSASD VWSYGIVMWEVMSYGERPYW DMTNQDVINAIEQDYRLPPP MDCPSALHQLMLDCWQKDRN HRPKFGQIVNTLDKMIRNPN SLKAMAPLSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 597 MET 2 598 THR 3 599 PRO 4 600 GLY 5 601 MET 6 602 LYS 7 603 ILE 8 604 TYR 9 605 ILE 10 606 ASP 11 607 PRO 12 608 PHE 13 609 THR 14 610 TYR 15 611 GLU 16 612 ASP 17 613 PRO 18 614 ASN 19 615 GLU 20 616 ALA 21 617 VAL 22 618 ARG 23 619 GLU 24 620 PHE 25 621 ALA 26 622 LYS 27 623 GLU 28 624 ILE 29 625 ASP 30 626 ILE 31 627 SER 32 628 CYS 33 629 VAL 34 630 LYS 35 631 ILE 36 632 GLU 37 633 GLN 38 634 VAL 39 635 ILE 40 636 GLY 41 637 ALA 42 638 GLY 43 639 GLU 44 640 PHE 45 641 GLY 46 642 GLU 47 643 VAL 48 644 CYS 49 645 SER 50 646 GLY 51 647 HIS 52 648 LEU 53 649 LYS 54 650 LEU 55 651 PRO 56 652 GLY 57 653 LYS 58 654 ARG 59 655 GLU 60 656 ILE 61 657 PHE 62 658 VAL 63 659 ALA 64 660 ILE 65 661 LYS 66 662 THR 67 663 LEU 68 664 LYS 69 665 SER 70 666 GLY 71 667 TYR 72 668 THR 73 669 GLU 74 670 LYS 75 671 GLN 76 672 ARG 77 673 ARG 78 674 ASP 79 675 PHE 80 676 LEU 81 677 ALA 82 678 GLU 83 679 ALA 84 680 ALA 85 681 ILE 86 682 MET 87 683 GLY 88 684 GLN 89 685 PHE 90 686 ASP 91 687 HIS 92 688 PRO 93 689 ASN 94 690 VAL 95 691 ILE 96 692 HIS 97 693 LEU 98 694 GLU 99 695 GLY 100 696 VAL 101 697 VAL 102 698 THR 103 699 LYS 104 700 SER 105 701 THR 106 702 PRO 107 703 VAL 108 704 MET 109 705 ILE 110 706 ILE 111 707 THR 112 708 GLU 113 709 PHE 114 710 MET 115 711 GLU 116 712 ASN 117 713 GLY 118 714 SER 119 715 LEU 120 716 ASP 121 717 SER 122 718 PHE 123 719 LEU 124 720 ARG 125 721 GLN 126 722 ASN 127 723 ASP 128 724 GLY 129 725 GLN 130 726 PHE 131 727 THR 132 728 VAL 133 729 ILE 134 730 GLN 135 731 LEU 136 732 VAL 137 733 GLY 138 734 MET 139 735 LEU 140 736 ARG 141 737 GLY 142 738 ILE 143 739 ALA 144 740 ALA 145 741 GLY 146 742 MET 147 743 LYS 148 744 TYR 149 745 LEU 150 746 ALA 151 747 ASP 152 748 MET 153 749 ASN 154 750 TYR 155 751 VAL 156 752 HIS 157 753 ARG 158 754 ASP 159 755 LEU 160 756 ALA 161 757 ALA 162 758 ARG 163 759 ASN 164 760 ILE 165 761 LEU 166 762 VAL 167 763 ASN 168 764 SER 169 765 ASN 170 766 LEU 171 767 VAL 172 768 CYS 173 769 LYS 174 770 VAL 175 771 SER 176 772 ASP 177 773 PHE 178 774 GLY 179 775 LEU 180 776 SER 181 777 ARG 182 778 PHE 183 779 LEU 184 780 GLU 185 781 ASP 186 782 ASP 187 783 THR 188 784 SER 189 785 ASP 190 786 PRO 191 787 THR 192 788 TYR 193 789 THR 194 790 SER 195 791 ALA 196 792 LEU 197 793 GLY 198 794 GLY 199 795 LYS 200 796 ILE 201 797 PRO 202 798 ILE 203 799 ARG 204 800 TRP 205 801 THR 206 802 ALA 207 803 PRO 208 804 GLU 209 805 ALA 210 806 ILE 211 807 GLN 212 808 TYR 213 809 ARG 214 810 LYS 215 811 PHE 216 812 THR 217 813 SER 218 814 ALA 219 815 SER 220 816 ASP 221 817 VAL 222 818 TRP 223 819 SER 224 820 TYR 225 821 GLY 226 822 ILE 227 823 VAL 228 824 MET 229 825 TRP 230 826 GLU 231 827 VAL 232 828 MET 233 829 SER 234 830 TYR 235 831 GLY 236 832 GLU 237 833 ARG 238 834 PRO 239 835 TYR 240 836 TRP 241 837 ASP 242 838 MET 243 839 THR 244 840 ASN 245 841 GLN 246 842 ASP 247 843 VAL 248 844 ILE 249 845 ASN 250 846 ALA 251 847 ILE 252 848 GLU 253 849 GLN 254 850 ASP 255 851 TYR 256 852 ARG 257 853 LEU 258 854 PRO 259 855 PRO 260 856 PRO 261 857 MET 262 858 ASP 263 859 CYS 264 860 PRO 265 861 SER 266 862 ALA 267 863 LEU 268 864 HIS 269 865 GLN 270 866 LEU 271 867 MET 272 868 LEU 273 869 ASP 274 870 CYS 275 871 TRP 276 872 GLN 277 873 LYS 278 874 ASP 279 875 ARG 280 876 ASN 281 877 HIS 282 878 ARG 283 879 PRO 284 880 LYS 285 881 PHE 286 882 GLY 287 883 GLN 288 884 ILE 289 885 VAL 290 886 ASN 291 887 THR 292 888 LEU 293 889 ASP 294 890 LYS 295 891 MET 296 892 ILE 297 893 ARG 298 894 ASN 299 895 PRO 300 896 ASN 301 897 SER 302 898 LEU 303 899 LYS 304 900 ALA 305 901 MET 306 902 ALA 307 903 PRO 308 904 LEU 309 905 SER 310 906 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1JPA "Crystal Structure Of Unphosphorylated Ephb2 Receptor Tyrosine Kinase And Juxtamembrane Region" 100.00 312 98.71 100.00 0.00e+00 PDB 2HEN "Crystal Structure Of The Ephb2 Receptor Kinase Domain In Complex With Adp" 92.26 286 98.60 99.65 0.00e+00 PDB 3ZFM "Crystal Structure Of Ephb2" 95.16 298 99.32 100.00 0.00e+00 DBJ BAA03537 "large erk kinase [Homo sapiens]" 83.55 347 98.46 99.61 0.00e+00 DBJ BAA06506 "tyrosine kinase precursor [Homo sapiens]" 100.00 981 99.03 100.00 0.00e+00 DBJ BAA07073 "large erk/cek5 tyrosine kinase [Homo sapiens]" 100.00 478 99.03 100.00 0.00e+00 DBJ BAE06100 "EPHB2 variant protein [Homo sapiens]" 100.00 986 99.35 100.00 0.00e+00 DBJ BAG10257 "ephrin type-B receptor 2 precursor [synthetic construct]" 100.00 986 99.35 100.00 0.00e+00 EMBL CAA53598 "Sek-3 [Mus musculus]" 100.00 480 99.35 100.00 0.00e+00 EMBL CAA62862 "QEK5 protein [Coturnix coturnix]" 100.00 987 98.39 99.68 0.00e+00 GB AAA48667 "chicken embryo kinase 5 protein [Gallus gallus]" 100.00 995 98.71 100.00 0.00e+00 GB AAA72411 "Nuk receptor tyrosine kinase [Mus musculus]" 100.00 963 99.35 100.00 0.00e+00 GB AAA74244 "receptor protein-tyrosine kinase, partial [Homo sapiens]" 100.00 970 98.71 99.68 0.00e+00 GB AAA99310 "protein-tyrosine kinase [Homo sapiens]" 100.00 987 99.35 100.00 0.00e+00 GB AAB30284 "neural kinase, Nuk=Eph/Elk/Eck family receptor-like tyrosine kinase [mice, embryo, Peptide, 994 aa]" 100.00 994 99.35 100.00 0.00e+00 PIR I48760 "protein-tyrosine kinase (EC 2.7.1.112) sek-3 - mouse (fragment)" 100.00 480 99.35 100.00 0.00e+00 PRF 2109312A "receptor Tyr kinase" 100.00 478 99.03 100.00 0.00e+00 PRF 2124353A "T-lymphoma invasion/metastasis gene" 100.00 987 99.35 100.00 0.00e+00 REF NP_001120791 "ephrin type-B receptor 2 precursor [Rattus norvegicus]" 100.00 986 99.35 100.00 0.00e+00 REF NP_001178427 "ephrin type-B receptor 2 [Bos taurus]" 100.00 965 99.35 100.00 0.00e+00 REF NP_001277682 "ephrin type-B receptor 2 isoform 1 precursor [Mus musculus]" 100.00 987 99.35 100.00 0.00e+00 REF NP_001296121 "ephrin type-B receptor 2 isoform 3 precursor [Homo sapiens]" 100.00 928 99.03 100.00 0.00e+00 REF NP_001296122 "ephrin type-B receptor 2 isoform 4 precursor [Homo sapiens]" 100.00 1055 99.35 100.00 0.00e+00 SP P28693 "RecName: Full=Ephrin type-B receptor 2; AltName: Full=EPH-like kinase 5; Short=EK5; Short=cEK5; Flags: Precursor" 100.00 1004 98.71 100.00 0.00e+00 SP P29323 "RecName: Full=Ephrin type-B receptor 2; AltName: Full=Developmentally-regulated Eph-related tyrosine kinase; AltName: Full=ELK-" 100.00 1055 99.35 100.00 0.00e+00 SP P54763 "RecName: Full=Ephrin type-B receptor 2; AltName: Full=Neural kinase; AltName: Full=Nuk receptor tyrosine kinase; AltName: Full=" 100.00 986 99.35 100.00 0.00e+00 SP Q90344 "RecName: Full=Ephrin type-B receptor 2; AltName: Full=EPH-like kinase 5; Short=EK5; Short=qEK5; Flags: Precursor" 100.00 987 98.39 99.68 0.00e+00 TPG DAA32240 "TPA: EPH receptor B2 [Bos taurus]" 100.00 864 99.35 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EphB2_kinase_domain 'House mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $EphB2_kinase_domain 'recombinant technology' . Escherichia coli BL21(DE3) N.A. stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EphB2_kinase_domain 0.6 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_COMPASS _Saveframe_category software _Name COMPASS _Version . loop_ _Vendor _Address _Electronic_address 'Niklasson, Ahlner, Andresen, Marsh, Lundstrom' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HN(CA)CB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HN(CA)CB' '3D HN(COCA)CB' '3D HN(CA)CO' '3D HNO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'EphB2 kinase domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 597 1 MET C C 175.924 0.000 1 2 597 1 MET CB C 32.102 0.000 1 3 598 2 THR H H 8.182 0.010 1 4 598 2 THR C C 172.773 0.000 1 5 598 2 THR CA C 59.446 0.000 1 6 598 2 THR CB C 69.218 0.000 1 7 598 2 THR N N 119.156 0.059 1 8 599 3 PRO C C 177.526 0.000 1 9 599 3 PRO CA C 63.144 0.000 1 10 600 4 GLY H H 8.463 0.002 1 11 600 4 GLY C C 174.038 0.005 1 12 600 4 GLY CA C 44.743 0.073 1 13 600 4 GLY N N 110.429 0.009 1 14 601 5 MET H H 7.942 0.005 1 15 601 5 MET C C 175.673 0.006 1 16 601 5 MET CA C 55.084 0.049 1 17 601 5 MET CB C 32.575 0.018 1 18 601 5 MET N N 120.693 0.037 1 19 602 6 LYS H H 8.293 0.010 1 20 602 6 LYS C C 174.954 0.057 1 21 602 6 LYS CA C 55.666 0.032 1 22 602 6 LYS CB C 32.237 0.031 1 23 602 6 LYS N N 124.672 0.020 1 24 603 7 ILE H H 7.838 0.009 1 25 603 7 ILE C C 175.368 0.005 1 26 603 7 ILE CA C 59.436 0.000 1 27 603 7 ILE CB C 40.424 0.004 1 28 603 7 ILE N N 119.440 0.053 1 29 604 8 TYR H H 9.012 0.006 1 30 604 8 TYR C C 173.357 0.008 1 31 604 8 TYR CA C 57.418 0.024 1 32 604 8 TYR CB C 38.190 0.121 1 33 604 8 TYR N N 125.205 0.023 1 34 605 9 ILE H H 9.117 0.008 1 35 605 9 ILE C C 173.666 0.000 1 36 605 9 ILE CA C 58.055 0.134 1 37 605 9 ILE CB C 38.401 0.034 1 38 605 9 ILE N N 131.624 0.052 1 39 606 10 ASP H H 7.943 0.005 1 40 606 10 ASP C C 176.744 0.000 1 41 606 10 ASP CA C 50.953 0.000 1 42 606 10 ASP CB C 41.236 0.000 1 43 606 10 ASP N N 127.409 0.068 1 44 607 11 PRO C C 177.083 0.000 1 45 607 11 PRO CA C 64.116 0.000 1 46 607 11 PRO CB C 31.351 0.000 1 47 608 12 PHE H H 8.542 0.004 1 48 608 12 PHE C C 176.918 0.012 1 49 608 12 PHE CA C 58.479 0.032 1 50 608 12 PHE CB C 35.872 0.000 1 51 608 12 PHE N N 115.701 0.043 1 52 609 13 THR H H 8.043 0.004 1 53 609 13 THR C C 175.292 0.007 1 54 609 13 THR CA C 62.686 0.017 1 55 609 13 THR CB C 69.572 0.118 1 56 609 13 THR N N 110.643 0.041 1 57 610 14 TYR H H 7.328 0.004 1 58 610 14 TYR C C 176.010 0.019 1 59 610 14 TYR CA C 57.454 0.027 1 60 610 14 TYR CB C 37.490 0.012 1 61 610 14 TYR N N 123.761 0.016 1 62 611 15 GLU H H 8.572 0.007 1 63 611 15 GLU C C 176.999 0.030 1 64 611 15 GLU CA C 58.755 0.012 1 65 611 15 GLU CB C 28.574 0.016 1 66 611 15 GLU N N 123.671 0.041 1 67 612 16 ASP H H 8.135 0.011 1 68 612 16 ASP C C 175.271 0.000 1 69 612 16 ASP CA C 49.544 0.000 1 70 612 16 ASP CB C 41.428 0.000 1 71 612 16 ASP N N 116.020 0.010 1 72 613 17 PRO C C 178.575 0.000 1 73 613 17 PRO CA C 64.003 0.000 1 74 613 17 PRO CB C 31.182 0.000 1 75 614 18 ASN H H 8.184 0.009 1 76 614 18 ASN C C 177.972 0.004 1 77 614 18 ASN CA C 55.433 0.029 1 78 614 18 ASN CB C 37.825 0.011 1 79 614 18 ASN N N 115.506 0.065 1 80 615 19 GLU H H 8.184 0.006 1 81 615 19 GLU C C 178.052 0.018 1 82 615 19 GLU CA C 58.239 0.099 1 83 615 19 GLU CB C 28.575 0.115 1 84 615 19 GLU N N 120.755 0.061 1 85 616 20 ALA H H 6.729 0.004 1 86 616 20 ALA C C 178.561 0.021 1 87 616 20 ALA CA C 53.971 0.011 1 88 616 20 ALA CB C 16.590 0.013 1 89 616 20 ALA N N 121.283 0.068 1 90 617 21 VAL H H 6.876 0.009 1 91 617 21 VAL C C 176.519 0.000 1 92 617 21 VAL CA C 65.965 0.007 1 93 617 21 VAL CB C 30.657 0.072 1 94 617 21 VAL N N 117.226 0.035 1 95 618 22 ARG H H 7.123 0.006 1 96 618 22 ARG C C 178.174 0.000 1 97 618 22 ARG CA C 57.648 0.000 1 98 618 22 ARG CB C 29.174 0.000 1 99 618 22 ARG N N 116.034 0.053 1 100 619 23 GLU C C 178.445 0.000 1 101 619 23 GLU CA C 58.149 0.000 1 102 619 23 GLU CB C 28.931 0.000 1 103 620 24 PHE H H 7.189 0.004 1 104 620 24 PHE C C 173.897 0.005 1 105 620 24 PHE CA C 57.832 0.021 1 106 620 24 PHE CB C 40.219 0.026 1 107 620 24 PHE N N 113.699 0.021 1 108 621 25 ALA H H 8.108 0.003 1 109 621 25 ALA C C 175.442 0.001 1 110 621 25 ALA CA C 49.555 0.025 1 111 621 25 ALA CB C 21.710 0.018 1 112 621 25 ALA N N 122.799 0.036 1 113 622 26 LYS H H 8.585 0.012 1 114 622 26 LYS C C 174.774 0.005 1 115 622 26 LYS CA C 55.579 0.028 1 116 622 26 LYS CB C 32.289 0.042 1 117 622 26 LYS N N 124.997 0.055 1 118 623 27 GLU H H 8.230 0.007 1 119 623 27 GLU C C 176.285 0.009 1 120 623 27 GLU CA C 54.957 0.052 1 121 623 27 GLU CB C 28.346 0.008 1 122 623 27 GLU N N 126.698 0.033 1 123 624 28 ILE H H 9.174 0.005 1 124 624 28 ILE C C 175.625 0.016 1 125 624 28 ILE CA C 58.962 0.007 1 126 624 28 ILE CB C 38.803 0.014 1 127 624 28 ILE N N 133.078 0.029 1 128 625 29 ASP H H 8.587 0.009 1 129 625 29 ASP C C 177.369 0.022 1 130 625 29 ASP CA C 54.960 0.015 1 131 625 29 ASP CB C 42.269 0.024 1 132 625 29 ASP N N 128.740 0.024 1 133 626 30 ILE H H 8.522 0.006 1 134 626 30 ILE C C 176.293 0.010 1 135 626 30 ILE CA C 62.141 0.001 1 136 626 30 ILE CB C 37.399 0.050 1 137 626 30 ILE N N 128.135 0.032 1 138 627 31 SER H H 8.386 0.007 1 139 627 31 SER C C 176.089 0.003 1 140 627 31 SER CA C 60.439 0.009 1 141 627 31 SER CB C 62.524 0.099 1 142 627 31 SER N N 117.929 0.047 1 143 628 32 CYS H H 8.105 0.005 1 144 628 32 CYS C C 173.164 0.014 1 145 628 32 CYS CA C 59.566 0.007 1 146 628 32 CYS CB C 28.240 0.035 1 147 628 32 CYS N N 119.129 0.070 1 148 629 33 VAL H H 7.610 0.003 1 149 629 33 VAL C C 174.029 0.008 1 150 629 33 VAL CA C 61.109 0.051 1 151 629 33 VAL CB C 33.166 0.022 1 152 629 33 VAL N N 121.063 0.029 1 153 630 34 LYS H H 8.444 0.006 1 154 630 34 LYS C C 175.472 0.001 1 155 630 34 LYS CA C 53.919 0.011 1 156 630 34 LYS CB C 33.876 0.069 1 157 630 34 LYS N N 127.775 0.054 1 158 631 35 ILE H H 8.807 0.008 1 159 631 35 ILE C C 175.933 0.006 1 160 631 35 ILE CA C 62.498 0.028 1 161 631 35 ILE CB C 37.306 0.000 1 162 631 35 ILE N N 127.312 0.028 1 163 632 36 GLU H H 9.028 0.012 1 164 632 36 GLU C C 175.439 0.000 1 165 632 36 GLU CA C 56.706 0.000 1 166 632 36 GLU CB C 30.092 0.000 1 167 632 36 GLU N N 129.278 0.053 1 168 633 37 GLN C C 174.501 0.000 1 169 633 37 GLN CA C 54.325 0.000 1 170 633 37 GLN CB C 31.189 0.000 1 171 634 38 VAL H H 8.717 0.006 1 172 634 38 VAL C C 176.876 0.007 1 173 634 38 VAL CA C 63.059 0.031 1 174 634 38 VAL CB C 31.206 0.071 1 175 634 38 VAL N N 124.904 0.028 1 176 635 39 ILE H H 9.463 0.003 1 177 635 39 ILE C C 176.329 0.016 1 178 635 39 ILE CA C 61.197 0.070 1 179 635 39 ILE CB C 38.535 0.060 1 180 635 39 ILE N N 125.436 0.040 1 181 636 40 GLY H H 7.994 0.004 1 182 636 40 GLY C C 171.029 0.036 1 183 636 40 GLY CA C 45.209 0.079 1 184 636 40 GLY N N 109.734 0.051 1 185 637 41 ALA H H 8.516 0.009 1 186 637 41 ALA C C 176.900 0.004 1 187 637 41 ALA CA C 51.597 0.016 1 188 637 41 ALA CB C 20.312 0.019 1 189 637 41 ALA N N 124.220 0.037 1 190 638 42 GLY H H 8.312 0.006 1 191 638 42 GLY C C 173.817 0.001 1 192 638 42 GLY CA C 43.296 0.082 1 193 638 42 GLY N N 110.605 0.023 1 194 639 43 GLU H H 8.630 0.004 1 195 639 43 GLU C C 177.643 0.000 1 196 639 43 GLU CA C 58.753 0.000 1 197 639 43 GLU CB C 29.479 0.000 1 198 639 43 GLU N N 122.074 0.027 1 199 640 44 PHE H H 9.058 0.012 1 200 640 44 PHE C C 174.625 0.007 1 201 640 44 PHE CA C 57.302 0.098 1 202 640 44 PHE CB C 39.847 0.001 1 203 640 44 PHE N N 114.375 0.082 1 204 641 45 GLY H H 6.916 0.008 1 205 641 45 GLY C C 173.295 0.008 1 206 641 45 GLY CA C 45.371 0.028 1 207 641 45 GLY N N 106.904 0.040 1 208 642 46 GLU H H 8.264 0.004 1 209 642 46 GLU C C 176.029 0.011 1 210 642 46 GLU CA C 56.451 0.015 1 211 642 46 GLU CB C 31.014 0.005 1 212 642 46 GLU N N 121.449 0.033 1 213 643 47 VAL H H 8.496 0.005 1 214 643 47 VAL C C 175.811 0.005 1 215 643 47 VAL CA C 61.675 0.040 1 216 643 47 VAL CB C 32.237 0.114 1 217 643 47 VAL N N 123.660 0.037 1 218 644 48 CYS H H 9.647 0.007 1 219 644 48 CYS C C 173.732 0.011 1 220 644 48 CYS CA C 56.673 0.019 1 221 644 48 CYS CB C 32.362 0.083 1 222 644 48 CYS N N 124.383 0.017 1 223 645 49 SER H H 9.319 0.006 1 224 645 49 SER C C 174.804 0.008 1 225 645 49 SER CA C 55.962 0.016 1 226 645 49 SER CB C 65.727 0.052 1 227 645 49 SER N N 117.163 0.052 1 228 646 50 GLY H H 7.977 0.007 1 229 646 50 GLY C C 170.404 0.045 1 230 646 50 GLY CA C 45.752 0.050 1 231 646 50 GLY N N 108.484 0.049 1 232 647 51 HIS H H 8.705 0.005 1 233 647 51 HIS C C 173.323 0.015 1 234 647 51 HIS CA C 54.683 0.073 1 235 647 51 HIS CB C 32.992 0.053 1 236 647 51 HIS N N 117.505 0.068 1 237 648 52 LEU H H 9.128 0.005 1 238 648 52 LEU C C 174.960 0.001 1 239 648 52 LEU CA C 52.590 0.006 1 240 648 52 LEU CB C 45.478 0.030 1 241 648 52 LEU N N 123.823 0.046 1 242 649 53 LYS H H 9.237 0.011 1 243 649 53 LYS C C 174.506 0.004 1 244 649 53 LYS CA C 54.363 0.037 1 245 649 53 LYS CB C 32.650 0.004 1 246 649 53 LYS N N 131.954 0.076 1 247 650 54 LEU H H 8.371 0.005 1 248 650 54 LEU C C 174.981 0.000 1 249 650 54 LEU CA C 52.251 0.000 1 250 650 54 LEU CB C 40.252 0.000 1 251 650 54 LEU N N 128.345 0.019 1 252 652 56 GLY C C 173.804 0.000 1 253 652 56 GLY CA C 45.255 0.068 1 254 653 57 LYS H H 7.812 0.005 1 255 653 57 LYS C C 175.746 0.009 1 256 653 57 LYS CA C 53.715 0.001 1 257 653 57 LYS CB C 33.638 0.010 1 258 653 57 LYS N N 119.702 0.052 1 259 654 58 ARG H H 7.981 0.011 1 260 654 58 ARG C C 176.555 0.049 1 261 654 58 ARG CA C 55.566 0.049 1 262 654 58 ARG CB C 29.932 0.023 1 263 654 58 ARG N N 120.472 0.014 1 264 655 59 GLU H H 8.784 0.015 1 265 655 59 GLU C C 175.558 0.005 1 266 655 59 GLU CA C 56.438 0.026 1 267 655 59 GLU CB C 30.105 0.035 1 268 655 59 GLU N N 124.964 0.056 1 269 656 60 ILE H H 8.326 0.006 1 270 656 60 ILE C C 175.072 0.047 1 271 656 60 ILE CA C 59.190 0.034 1 272 656 60 ILE CB C 41.717 0.013 1 273 656 60 ILE N N 119.382 0.047 1 274 657 61 PHE H H 8.703 0.003 1 275 657 61 PHE C C 175.488 0.003 1 276 657 61 PHE CA C 57.135 0.020 1 277 657 61 PHE CB C 39.389 0.013 1 278 657 61 PHE N N 126.239 0.064 1 279 658 62 VAL H H 8.184 0.008 1 280 658 62 VAL C C 173.983 0.041 1 281 658 62 VAL CA C 59.782 0.044 1 282 658 62 VAL CB C 35.337 0.076 1 283 658 62 VAL N N 115.272 0.060 1 284 659 63 ALA H H 8.355 0.003 1 285 659 63 ALA C C 176.306 0.007 1 286 659 63 ALA CA C 50.453 0.027 1 287 659 63 ALA CB C 20.199 0.002 1 288 659 63 ALA N N 122.649 0.033 1 289 660 64 ILE H H 8.692 0.013 1 290 660 64 ILE C C 175.296 0.028 1 291 660 64 ILE CA C 59.900 0.010 1 292 660 64 ILE CB C 42.315 0.089 1 293 660 64 ILE N N 121.380 0.047 1 294 661 65 LYS H H 9.160 0.008 1 295 661 65 LYS C C 176.250 0.019 1 296 661 65 LYS CA C 55.340 0.044 1 297 661 65 LYS CB C 33.259 0.051 1 298 661 65 LYS N N 127.515 0.099 1 299 662 66 THR H H 8.419 0.009 1 300 662 66 THR C C 172.961 0.017 1 301 662 66 THR CA C 59.099 0.009 1 302 662 66 THR CB C 71.016 0.002 1 303 662 66 THR N N 113.959 0.048 1 304 663 67 LEU H H 7.684 0.005 1 305 663 67 LEU C C 176.447 0.041 1 306 663 67 LEU CA C 52.608 0.024 1 307 663 67 LEU CB C 41.249 0.008 1 308 663 67 LEU N N 124.307 0.049 1 309 664 68 LYS H H 8.674 0.007 1 310 664 68 LYS C C 175.241 0.003 1 311 664 68 LYS CA C 56.396 0.009 1 312 664 68 LYS CB C 32.111 0.002 1 313 664 68 LYS N N 128.205 0.049 1 314 665 69 SER H H 8.170 0.007 1 315 665 69 SER C C 175.298 0.000 1 316 665 69 SER CA C 59.356 0.000 1 317 665 69 SER CB C 62.674 0.000 1 318 665 69 SER N N 116.147 0.041 1 319 666 70 GLY C C 174.409 0.000 1 320 666 70 GLY CA C 44.922 0.124 1 321 667 71 TYR H H 6.886 0.007 1 322 667 71 TYR C C 175.933 0.018 1 323 667 71 TYR CA C 55.395 0.019 1 324 667 71 TYR CB C 36.972 0.008 1 325 667 71 TYR N N 117.516 0.051 1 326 668 72 THR H H 8.767 0.009 1 327 668 72 THR C C 176.080 0.004 1 328 668 72 THR CA C 59.541 0.051 1 329 668 72 THR CB C 70.922 0.000 1 330 668 72 THR N N 112.675 0.068 1 331 669 73 GLU H H 8.991 0.005 1 332 669 73 GLU C C 179.218 0.022 1 333 669 73 GLU CA C 59.340 0.055 1 334 669 73 GLU CB C 28.078 0.014 1 335 669 73 GLU N N 122.655 0.064 1 336 670 74 LYS H H 8.247 0.006 1 337 670 74 LYS C C 177.666 0.001 1 338 670 74 LYS CA C 59.083 0.063 1 339 670 74 LYS CB C 31.868 0.053 1 340 670 74 LYS N N 120.960 0.047 1 341 671 75 GLN H H 7.642 0.003 1 342 671 75 GLN C C 177.870 0.020 1 343 671 75 GLN CA C 58.582 0.074 1 344 671 75 GLN CB C 28.335 0.070 1 345 671 75 GLN N N 117.984 0.071 1 346 672 76 ARG H H 8.020 0.008 1 347 672 76 ARG C C 176.956 0.016 1 348 672 76 ARG CA C 59.404 0.028 1 349 672 76 ARG CB C 28.642 0.011 1 350 672 76 ARG N N 118.398 0.044 1 351 673 77 ARG H H 7.881 0.006 1 352 673 77 ARG C C 179.005 0.010 1 353 673 77 ARG CA C 58.558 0.093 1 354 673 77 ARG CB C 29.416 0.100 1 355 673 77 ARG N N 118.882 0.099 1 356 674 78 ASP H H 8.687 0.008 1 357 674 78 ASP C C 178.224 0.002 1 358 674 78 ASP CA C 57.130 0.020 1 359 674 78 ASP CB C 39.364 0.000 1 360 674 78 ASP N N 121.910 0.026 1 361 675 79 PHE H H 8.172 0.004 1 362 675 79 PHE C C 177.561 0.051 1 363 675 79 PHE CA C 59.906 0.044 1 364 675 79 PHE N N 121.609 0.041 1 365 676 80 LEU H H 8.012 0.009 1 366 676 80 LEU C C 178.702 0.000 1 367 676 80 LEU CA C 56.146 0.000 1 368 676 80 LEU CB C 40.998 0.000 1 369 676 80 LEU N N 116.220 0.071 1 370 677 81 ALA CA C 54.463 0.000 1 371 677 81 ALA CB C 17.270 0.000 1 372 678 82 GLU H H 6.765 0.012 1 373 678 82 GLU C C 178.661 0.049 1 374 678 82 GLU CA C 58.392 0.016 1 375 678 82 GLU CB C 29.020 0.000 1 376 678 82 GLU N N 114.514 0.064 1 377 679 83 ALA H H 7.133 0.007 1 378 679 83 ALA C C 177.981 0.028 1 379 679 83 ALA CA C 54.023 0.022 1 380 679 83 ALA CB C 18.281 0.071 1 381 679 83 ALA N N 119.813 0.083 1 382 680 84 ALA H H 7.064 0.008 1 383 680 84 ALA C C 176.922 0.000 1 384 680 84 ALA CA C 53.767 0.056 1 385 680 84 ALA CB C 17.639 0.047 1 386 680 84 ALA N N 118.246 0.047 1 387 681 85 ILE H H 7.001 0.008 1 388 681 85 ILE CA C 64.479 0.000 1 389 681 85 ILE CB C 37.970 0.000 1 390 681 85 ILE N N 115.318 0.078 1 391 682 86 MET C C 179.183 0.000 1 392 682 86 MET CA C 58.515 0.000 1 393 682 86 MET CB C 34.379 0.000 1 394 683 87 GLY H H 8.123 0.004 1 395 683 87 GLY C C 174.346 0.000 1 396 683 87 GLY CA C 45.741 0.052 1 397 683 87 GLY N N 103.931 0.038 1 398 684 88 GLN H H 6.983 0.005 1 399 684 88 GLN C C 175.745 0.010 1 400 684 88 GLN CA C 56.277 0.038 1 401 684 88 GLN CB C 27.983 0.028 1 402 684 88 GLN N N 118.410 0.034 1 403 685 89 PHE H H 7.022 0.004 1 404 685 89 PHE C C 175.002 0.030 1 405 685 89 PHE CA C 53.231 0.030 1 406 685 89 PHE CB C 39.819 0.012 1 407 685 89 PHE N N 118.061 0.045 1 408 686 90 ASP H H 8.311 0.005 1 409 686 90 ASP C C 172.620 0.000 1 410 686 90 ASP CA C 52.907 0.021 1 411 686 90 ASP CB C 41.100 0.012 1 412 686 90 ASP N N 120.304 0.029 1 413 687 91 HIS H H 8.412 0.005 1 414 687 91 HIS C C 174.205 0.000 1 415 687 91 HIS CA C 55.639 0.000 1 416 687 91 HIS CB C 33.197 0.000 1 417 687 91 HIS N N 125.968 0.027 1 418 688 92 PRO C C 176.631 0.000 1 419 688 92 PRO CA C 64.065 0.000 1 420 688 92 PRO CB C 31.559 0.000 1 421 689 93 ASN H H 10.925 0.004 1 422 689 93 ASN C C 173.770 0.043 1 423 689 93 ASN CA C 53.392 0.021 1 424 689 93 ASN CB C 40.377 0.029 1 425 689 93 ASN N N 116.951 0.013 1 426 690 94 VAL H H 7.827 0.005 1 427 690 94 VAL C C 175.380 0.011 1 428 690 94 VAL CA C 62.000 0.019 1 429 690 94 VAL CB C 33.975 0.012 1 430 690 94 VAL N N 121.393 0.055 1 431 691 95 ILE H H 8.037 0.005 1 432 691 95 ILE C C 172.920 0.036 1 433 691 95 ILE CA C 60.218 0.003 1 434 691 95 ILE CB C 37.805 0.016 1 435 691 95 ILE N N 129.752 0.065 1 436 692 96 HIS H H 9.552 0.006 1 437 692 96 HIS C C 173.796 0.004 1 438 692 96 HIS CA C 55.522 0.077 1 439 692 96 HIS CB C 29.419 0.040 1 440 692 96 HIS N N 125.137 0.061 1 441 693 97 LEU H H 8.158 0.003 1 442 693 97 LEU C C 175.889 0.042 1 443 693 97 LEU CA C 54.014 0.094 1 444 693 97 LEU CB C 42.120 0.060 1 445 693 97 LEU N N 129.430 0.077 1 446 694 98 GLU H H 8.864 0.008 1 447 694 98 GLU C C 177.993 0.010 1 448 694 98 GLU CA C 56.232 0.013 1 449 694 98 GLU CB C 28.145 0.026 1 450 694 98 GLU N N 125.562 0.041 1 451 695 99 GLY H H 7.664 0.008 1 452 695 99 GLY C C 170.011 0.004 1 453 695 99 GLY CA C 45.123 0.064 1 454 695 99 GLY N N 105.356 0.064 1 455 696 100 VAL H H 8.872 0.004 1 456 696 100 VAL C C 173.541 0.001 1 457 696 100 VAL CA C 57.337 0.082 1 458 696 100 VAL CB C 35.203 0.036 1 459 696 100 VAL N N 111.655 0.035 1 460 697 101 VAL H H 8.420 0.007 1 461 697 101 VAL C C 175.959 0.000 1 462 697 101 VAL CA C 61.580 0.000 1 463 697 101 VAL CB C 32.915 0.000 1 464 697 101 VAL N N 121.577 0.041 1 465 698 102 THR C C 176.874 0.000 1 466 698 102 THR CA C 61.417 0.000 1 467 698 102 THR CB C 70.399 0.000 1 468 699 103 LYS H H 7.474 0.011 1 469 699 103 LYS C C 175.480 0.001 1 470 699 103 LYS CA C 56.486 0.023 1 471 699 103 LYS CB C 32.136 0.016 1 472 699 103 LYS N N 122.544 0.063 1 473 700 104 SER H H 7.099 0.004 1 474 700 104 SER C C 171.313 0.014 1 475 700 104 SER CA C 56.039 0.047 1 476 700 104 SER CB C 64.299 0.003 1 477 700 104 SER N N 113.013 0.066 1 478 701 105 THR H H 7.792 0.004 1 479 701 105 THR C C 172.602 0.000 1 480 701 105 THR CA C 57.870 0.000 1 481 701 105 THR CB C 70.018 0.000 1 482 701 105 THR N N 111.983 0.040 1 483 702 106 PRO C C 174.382 0.000 1 484 702 106 PRO CA C 62.019 0.000 1 485 702 106 PRO CB C 33.512 0.000 1 486 703 107 VAL H H 8.159 0.016 1 487 703 107 VAL C C 176.896 0.027 1 488 703 107 VAL CA C 61.695 0.011 1 489 703 107 VAL CB C 30.815 0.052 1 490 703 107 VAL N N 122.163 0.036 1 491 704 108 MET H H 8.627 0.005 1 492 704 108 MET C C 175.556 0.014 1 493 704 108 MET CA C 54.490 0.047 1 494 704 108 MET CB C 38.304 0.001 1 495 704 108 MET N N 120.793 0.040 1 496 705 109 ILE H H 8.722 0.007 1 497 705 109 ILE C C 174.512 0.004 1 498 705 109 ILE CA C 61.492 0.099 1 499 705 109 ILE CB C 40.724 0.041 1 500 705 109 ILE N N 119.442 0.083 1 501 706 110 ILE H H 8.768 0.005 1 502 706 110 ILE C C 175.492 0.005 1 503 706 110 ILE CA C 60.061 0.082 1 504 706 110 ILE CB C 37.639 0.115 1 505 706 110 ILE N N 128.377 0.051 1 506 707 111 THR H H 9.453 0.004 1 507 707 111 THR C C 173.189 0.068 1 508 707 111 THR CA C 59.371 0.016 1 509 707 111 THR CB C 72.736 0.009 1 510 707 111 THR N N 119.660 0.047 1 511 708 112 GLU H H 8.010 0.005 1 512 708 112 GLU C C 174.591 0.031 1 513 708 112 GLU CA C 55.743 0.028 1 514 708 112 GLU CB C 29.849 0.046 1 515 708 112 GLU N N 118.224 0.030 1 516 709 113 PHE H H 8.772 0.009 1 517 709 113 PHE C C 174.755 0.016 1 518 709 113 PHE CA C 57.360 0.009 1 519 709 113 PHE CB C 39.855 0.002 1 520 709 113 PHE N N 124.623 0.028 1 521 710 114 MET H H 7.889 0.008 1 522 710 114 MET C C 176.082 0.004 1 523 710 114 MET CA C 52.042 0.128 1 524 710 114 MET CB C 29.022 0.010 1 525 710 114 MET N N 127.603 0.034 1 526 711 115 GLU H H 9.469 0.004 1 527 711 115 GLU C C 176.702 0.024 1 528 711 115 GLU CA C 60.157 0.089 1 529 711 115 GLU CB C 29.504 0.026 1 530 711 115 GLU N N 124.251 0.055 1 531 712 116 ASN H H 7.683 0.003 1 532 712 116 ASN C C 174.175 0.041 1 533 712 116 ASN CA C 52.438 0.038 1 534 712 116 ASN CB C 39.212 0.010 1 535 712 116 ASN N N 112.247 0.059 1 536 713 117 GLY H H 7.019 0.007 1 537 713 117 GLY C C 172.385 0.008 1 538 713 117 GLY CA C 45.514 0.054 1 539 713 117 GLY N N 105.469 0.058 1 540 714 118 SER H H 8.175 0.005 1 541 714 118 SER C C 175.640 0.018 1 542 714 118 SER CA C 58.893 0.001 1 543 714 118 SER CB C 64.322 0.009 1 544 714 118 SER N N 117.204 0.032 1 545 715 119 LEU H H 9.059 0.008 1 546 715 119 LEU C C 177.439 0.037 1 547 715 119 LEU CA C 57.618 0.028 1 548 715 119 LEU CB C 40.971 0.042 1 549 715 119 LEU N N 123.845 0.075 1 550 716 120 ASP H H 8.022 0.007 1 551 716 120 ASP C C 177.004 0.008 1 552 716 120 ASP CA C 57.078 0.115 1 553 716 120 ASP CB C 37.695 0.000 1 554 716 120 ASP N N 115.481 0.052 1 555 717 121 SER H H 7.560 0.013 1 556 717 121 SER C C 176.869 0.011 1 557 717 121 SER CA C 60.439 0.018 1 558 717 121 SER CB C 62.191 0.000 1 559 717 121 SER N N 116.466 0.067 1 560 718 122 PHE H H 8.536 0.004 1 561 718 122 PHE C C 178.683 0.019 1 562 718 122 PHE CA C 60.520 0.080 1 563 718 122 PHE CB C 38.837 0.032 1 564 718 122 PHE N N 124.638 0.060 1 565 719 123 LEU H H 8.452 0.009 1 566 719 123 LEU C C 179.152 0.019 1 567 719 123 LEU CA C 57.730 0.008 1 568 719 123 LEU CB C 40.281 0.074 1 569 719 123 LEU N N 119.617 0.082 1 570 720 124 ARG H H 7.674 0.004 1 571 720 124 ARG C C 180.038 0.004 1 572 720 124 ARG CA C 59.322 0.035 1 573 720 124 ARG CB C 30.130 0.076 1 574 720 124 ARG N N 118.005 0.043 1 575 721 125 GLN H H 7.525 0.006 1 576 721 125 GLN C C 175.595 0.008 1 577 721 125 GLN CA C 56.344 0.111 1 578 721 125 GLN CB C 28.484 0.017 1 579 721 125 GLN N N 116.306 0.030 1 580 722 126 ASN H H 7.343 0.006 1 581 722 126 ASN C C 173.200 0.007 1 582 722 126 ASN CA C 52.312 0.119 1 583 722 126 ASN CB C 40.457 0.032 1 584 722 126 ASN N N 120.261 0.038 1 585 723 127 ASP H H 6.847 0.005 1 586 723 127 ASP C C 177.895 0.000 1 587 723 127 ASP CA C 55.911 0.000 1 588 723 127 ASP CB C 40.699 0.000 1 589 723 127 ASP N N 119.338 0.075 1 590 724 128 GLY C C 175.711 0.000 1 591 724 128 GLY CA C 46.089 0.002 1 592 725 129 GLN H H 7.575 0.004 1 593 725 129 GLN C C 175.479 0.024 1 594 725 129 GLN CA C 55.830 0.045 1 595 725 129 GLN CB C 28.218 0.058 1 596 725 129 GLN N N 115.528 0.042 1 597 726 130 PHE H H 7.863 0.005 1 598 726 130 PHE C C 175.749 0.001 1 599 726 130 PHE CA C 55.572 0.046 1 600 726 130 PHE CB C 40.105 0.008 1 601 726 130 PHE N N 117.873 0.049 1 602 727 131 THR H H 8.973 0.005 1 603 727 131 THR C C 176.082 0.002 1 604 727 131 THR CA C 59.721 0.023 1 605 727 131 THR CB C 70.671 0.004 1 606 727 131 THR N N 112.450 0.039 1 607 728 132 VAL H H 8.764 0.005 1 608 728 132 VAL C C 177.499 0.005 1 609 728 132 VAL CA C 66.103 0.081 1 610 728 132 VAL CB C 30.477 0.060 1 611 728 132 VAL N N 121.155 0.066 1 612 729 133 ILE H H 7.733 0.005 1 613 729 133 ILE C C 179.124 0.014 1 614 729 133 ILE CA C 62.529 0.069 1 615 729 133 ILE CB C 36.444 0.161 1 616 729 133 ILE N N 118.490 0.050 1 617 730 134 GLN H H 7.782 0.005 1 618 730 134 GLN C C 179.635 0.002 1 619 730 134 GLN CA C 58.980 0.004 1 620 730 134 GLN CB C 28.941 0.042 1 621 730 134 GLN N N 123.385 0.064 1 622 731 135 LEU H H 8.003 0.007 1 623 731 135 LEU C C 179.673 0.012 1 624 731 135 LEU CA C 57.950 0.021 1 625 731 135 LEU CB C 39.913 0.016 1 626 731 135 LEU N N 121.851 0.036 1 627 732 136 VAL H H 8.727 0.004 1 628 732 136 VAL C C 178.124 0.021 1 629 732 136 VAL CA C 66.519 0.023 1 630 732 136 VAL CB C 30.115 0.041 1 631 732 136 VAL N N 119.654 0.040 1 632 733 137 GLY H H 8.182 0.008 1 633 733 137 GLY C C 177.319 0.020 1 634 733 137 GLY CA C 47.033 0.062 1 635 733 137 GLY N N 108.808 0.039 1 636 734 138 MET H H 7.622 0.006 1 637 734 138 MET C C 178.574 0.008 1 638 734 138 MET CA C 59.704 0.017 1 639 734 138 MET CB C 31.786 0.000 1 640 734 138 MET N N 124.039 0.024 1 641 735 139 LEU H H 7.901 0.006 1 642 735 139 LEU C C 180.680 0.043 1 643 735 139 LEU CA C 57.212 0.002 1 644 735 139 LEU CB C 39.806 0.099 1 645 735 139 LEU N N 117.907 0.038 1 646 736 140 ARG H H 9.275 0.006 1 647 736 140 ARG C C 178.326 0.012 1 648 736 140 ARG CA C 60.149 0.031 1 649 736 140 ARG CB C 28.815 0.000 1 650 736 140 ARG N N 126.511 0.081 1 651 737 141 GLY H H 7.791 0.006 1 652 737 141 GLY C C 175.279 0.003 1 653 737 141 GLY CA C 46.505 0.589 1 654 737 141 GLY N N 108.927 0.008 1 655 738 142 ILE H H 7.702 0.050 1 656 738 142 ILE C C 177.394 0.018 1 657 738 142 ILE CA C 65.322 0.052 1 658 738 142 ILE CB C 38.401 0.015 1 659 738 142 ILE N N 119.547 0.087 1 660 739 143 ALA H H 8.018 0.003 1 661 739 143 ALA C C 177.774 0.045 1 662 739 143 ALA CA C 54.642 0.001 1 663 739 143 ALA CB C 16.863 0.132 1 664 739 143 ALA N N 120.415 0.026 1 665 740 144 ALA H H 8.501 0.006 1 666 740 144 ALA C C 181.255 0.031 1 667 740 144 ALA CA C 54.694 0.014 1 668 740 144 ALA CB C 17.012 0.000 1 669 740 144 ALA N N 121.779 0.053 1 670 741 145 GLY H H 8.233 0.006 1 671 741 145 GLY C C 174.359 0.021 1 672 741 145 GLY CA C 46.648 0.027 1 673 741 145 GLY N N 108.450 0.021 1 674 742 146 MET H H 7.749 0.006 1 675 742 146 MET C C 177.815 0.048 1 676 742 146 MET CA C 54.606 0.024 1 677 742 146 MET CB C 25.468 0.109 1 678 742 146 MET N N 118.247 0.080 1 679 743 147 LYS H H 8.483 0.005 1 680 743 147 LYS C C 177.653 0.014 1 681 743 147 LYS CA C 59.272 0.089 1 682 743 147 LYS CB C 31.576 0.004 1 683 743 147 LYS N N 121.808 0.036 1 684 744 148 TYR H H 7.046 0.007 1 685 744 148 TYR C C 177.121 0.036 1 686 744 148 TYR CA C 60.504 0.035 1 687 744 148 TYR CB C 37.102 0.102 1 688 744 148 TYR N N 119.268 0.046 1 689 745 149 LEU H H 7.634 0.004 1 690 745 149 LEU C C 179.120 0.013 1 691 745 149 LEU CA C 57.314 0.068 1 692 745 149 LEU CB C 39.510 0.054 1 693 745 149 LEU N N 119.774 0.054 1 694 746 150 ALA H H 9.211 0.004 1 695 746 150 ALA C C 183.410 0.018 1 696 746 150 ALA CA C 55.322 0.048 1 697 746 150 ALA CB C 17.405 0.020 1 698 746 150 ALA N N 123.905 0.029 1 699 747 151 ASP H H 8.628 0.007 1 700 747 151 ASP C C 178.161 0.007 1 701 747 151 ASP CA C 56.484 0.032 1 702 747 151 ASP CB C 39.293 0.062 1 703 747 151 ASP N N 122.556 0.046 1 704 748 152 MET H H 7.378 0.006 1 705 748 152 MET C C 175.221 0.023 1 706 748 152 MET CA C 55.250 0.079 1 707 748 152 MET CB C 32.108 0.009 1 708 748 152 MET N N 118.479 0.104 1 709 749 153 ASN H H 8.183 0.003 1 710 749 153 ASN C C 173.726 0.055 1 711 749 153 ASN CA C 54.180 0.018 1 712 749 153 ASN CB C 37.093 0.002 1 713 749 153 ASN N N 114.881 0.042 1 714 750 154 TYR H H 8.300 0.004 1 715 750 154 TYR C C 172.996 0.019 1 716 750 154 TYR CA C 58.430 0.001 1 717 750 154 TYR CB C 38.748 0.080 1 718 750 154 TYR N N 121.008 0.078 1 719 751 155 VAL H H 6.570 0.005 1 720 751 155 VAL C C 174.484 0.000 1 721 751 155 VAL CA C 60.669 0.000 1 722 751 155 VAL CB C 31.770 0.000 1 723 751 155 VAL N N 128.675 0.033 1 724 756 160 ALA C C 177.943 0.000 1 725 756 160 ALA CA C 50.750 0.000 1 726 756 160 ALA CB C 19.656 0.000 1 727 757 161 ALA H H 10.205 0.006 1 728 757 161 ALA C C 178.625 0.000 1 729 757 161 ALA CA C 56.060 0.000 1 730 757 161 ALA CB C 15.487 0.000 1 731 757 161 ALA N N 127.399 0.059 1 732 759 163 ASN H H 7.615 0.001 1 733 759 163 ASN C C 173.203 0.000 1 734 759 163 ASN CA C 51.870 0.015 1 735 759 163 ASN CB C 38.213 0.045 1 736 759 163 ASN N N 116.826 0.001 1 737 760 164 ILE H H 7.668 0.006 1 738 760 164 ILE C C 173.908 0.000 1 739 760 164 ILE CA C 57.402 0.000 1 740 760 164 ILE CB C 36.169 0.000 1 741 760 164 ILE N N 124.270 0.031 1 742 761 165 LEU C C 176.065 0.000 1 743 761 165 LEU CA C 51.961 0.000 1 744 761 165 LEU CB C 43.544 0.000 1 745 762 166 VAL H H 8.290 0.006 1 746 762 166 VAL C C 175.931 0.002 1 747 762 166 VAL CA C 60.013 0.002 1 748 762 166 VAL CB C 33.246 0.059 1 749 762 166 VAL N N 119.786 0.015 1 750 763 167 ASN H H 7.901 0.005 1 751 763 167 ASN C C 178.135 0.000 1 752 763 167 ASN CA C 50.393 0.000 1 753 763 167 ASN CB C 39.257 0.000 1 754 763 167 ASN N N 126.195 0.024 1 755 764 168 SER C C 174.297 0.000 1 756 764 168 SER CA C 60.646 0.000 1 757 764 168 SER CB C 62.546 0.000 1 758 765 169 ASN H H 7.471 0.005 1 759 765 169 ASN C C 173.662 0.034 1 760 765 169 ASN CA C 52.559 0.083 1 761 765 169 ASN CB C 38.397 0.016 1 762 765 169 ASN N N 119.201 0.078 1 763 766 170 LEU H H 7.822 0.007 1 764 766 170 LEU C C 174.801 0.061 1 765 766 170 LEU CA C 56.058 0.114 1 766 766 170 LEU CB C 36.655 0.010 1 767 766 170 LEU N N 113.993 0.036 1 768 767 171 VAL H H 7.595 0.004 1 769 767 171 VAL C C 175.630 0.005 1 770 767 171 VAL CA C 62.921 0.059 1 771 767 171 VAL CB C 30.354 0.054 1 772 767 171 VAL N N 121.130 0.046 1 773 768 172 CYS H H 8.268 0.009 1 774 768 172 CYS C C 174.384 0.000 1 775 768 172 CYS CA C 57.995 0.000 1 776 768 172 CYS CB C 28.990 0.000 1 777 768 172 CYS N N 125.493 0.027 1 778 784 188 SER C C 173.918 0.000 1 779 784 188 SER CA C 58.500 0.000 1 780 785 189 ASP H H 7.987 0.009 1 781 785 189 ASP C C 175.143 0.000 1 782 785 189 ASP CA C 51.621 0.000 1 783 785 189 ASP CB C 41.232 0.000 1 784 785 189 ASP N N 123.877 0.021 1 785 786 190 PRO C C 177.526 0.000 1 786 786 190 PRO CA C 63.479 0.000 1 787 786 190 PRO CB C 31.236 0.000 1 788 787 191 THR H H 8.372 0.005 1 789 787 191 THR C C 174.998 0.005 1 790 787 191 THR CA C 62.479 0.002 1 791 787 191 THR CB C 69.128 0.168 1 792 787 191 THR N N 113.012 0.032 1 793 788 192 TYR H H 7.815 0.005 1 794 788 192 TYR C C 176.058 0.000 1 795 788 192 TYR CA C 58.475 0.000 1 796 788 192 TYR CB C 37.596 0.000 1 797 788 192 TYR N N 122.326 0.026 1 798 791 195 ALA C C 178.098 0.000 1 799 791 195 ALA CA C 52.764 0.000 1 800 791 195 ALA CB C 18.170 0.000 1 801 792 196 LEU H H 7.991 0.005 1 802 792 196 LEU C C 177.916 0.036 1 803 792 196 LEU CA C 55.108 0.051 1 804 792 196 LEU CB C 41.109 0.003 1 805 792 196 LEU N N 119.662 0.086 1 806 793 197 GLY H H 8.053 0.007 1 807 793 197 GLY C C 174.562 0.003 1 808 793 197 GLY CA C 45.050 0.043 1 809 793 197 GLY N N 108.976 0.061 1 810 794 198 GLY H H 8.028 0.006 1 811 794 198 GLY C C 174.093 0.000 1 812 794 198 GLY CA C 45.168 0.003 1 813 794 198 GLY N N 109.067 0.027 1 814 800 204 TRP C C 175.319 0.000 1 815 800 204 TRP CB C 32.146 0.000 1 816 801 205 THR H H 7.498 0.007 1 817 801 205 THR C C 171.367 0.026 1 818 801 205 THR CA C 62.463 0.023 1 819 801 205 THR CB C 68.851 0.020 1 820 801 205 THR N N 118.404 0.031 1 821 802 206 ALA H H 7.242 0.020 1 822 802 206 ALA C C 176.076 0.000 1 823 802 206 ALA CA C 49.629 0.000 1 824 802 206 ALA CB C 17.900 0.000 1 825 802 206 ALA N N 127.514 0.064 1 826 803 207 PRO C C 178.065 0.000 1 827 803 207 PRO CA C 64.729 0.000 1 828 803 207 PRO CB C 30.245 0.000 1 829 804 208 GLU H H 9.388 0.012 1 830 804 208 GLU C C 177.620 0.010 1 831 804 208 GLU CA C 58.052 0.120 1 832 804 208 GLU CB C 25.401 0.058 1 833 804 208 GLU N N 116.997 0.026 1 834 805 209 ALA H H 6.853 0.007 1 835 805 209 ALA C C 178.149 0.030 1 836 805 209 ALA CA C 53.676 0.029 1 837 805 209 ALA CB C 16.296 0.045 1 838 805 209 ALA N N 127.801 0.038 1 839 806 210 ILE H H 7.109 0.007 1 840 806 210 ILE C C 177.596 0.005 1 841 806 210 ILE CA C 64.495 0.010 1 842 806 210 ILE CB C 37.692 0.115 1 843 806 210 ILE N N 118.868 0.102 1 844 807 211 GLN H H 7.843 0.006 1 845 807 211 GLN C C 177.394 0.003 1 846 807 211 GLN CA C 58.022 0.093 1 847 807 211 GLN CB C 28.130 0.001 1 848 807 211 GLN N N 114.779 0.054 1 849 808 212 TYR H H 6.950 0.009 1 850 808 212 TYR C C 175.156 0.040 1 851 808 212 TYR CA C 56.004 0.000 1 852 808 212 TYR CB C 38.643 0.048 1 853 808 212 TYR N N 112.127 0.060 1 854 809 213 ARG H H 7.247 0.006 1 855 809 213 ARG C C 174.645 0.005 1 856 809 213 ARG CA C 56.231 0.024 1 857 809 213 ARG CB C 25.524 0.120 1 858 809 213 ARG N N 115.564 0.022 1 859 810 214 LYS H H 6.686 0.008 1 860 810 214 LYS C C 174.512 0.020 1 861 810 214 LYS CA C 53.913 0.032 1 862 810 214 LYS CB C 31.112 0.012 1 863 810 214 LYS N N 119.608 0.032 1 864 811 215 PHE H H 8.303 0.007 1 865 811 215 PHE C C 176.104 0.000 1 866 811 215 PHE CA C 56.665 0.000 1 867 811 215 PHE CB C 39.475 0.000 1 868 811 215 PHE N N 125.938 0.029 1 869 813 217 SER C C 175.708 0.000 1 870 813 217 SER CA C 63.525 0.000 1 871 813 217 SER CB C 62.200 0.000 1 872 814 218 ALA H H 7.778 0.008 1 873 814 218 ALA C C 182.652 0.000 1 874 814 218 ALA CA C 54.197 0.000 1 875 814 218 ALA CB C 18.697 0.000 1 876 814 218 ALA N N 121.361 0.043 1 877 815 219 SER C C 179.029 0.000 1 878 816 220 ASP H H 8.061 0.010 1 879 816 220 ASP C C 178.974 0.000 1 880 816 220 ASP CA C 57.881 0.057 1 881 816 220 ASP CB C 39.422 0.020 1 882 816 220 ASP N N 128.382 0.067 1 883 817 221 VAL H H 8.112 0.006 1 884 817 221 VAL C C 177.802 0.046 1 885 817 221 VAL CA C 67.142 0.016 1 886 817 221 VAL CB C 30.224 0.013 1 887 817 221 VAL N N 123.992 0.036 1 888 818 222 TRP H H 7.247 0.007 1 889 818 222 TRP C C 179.577 0.042 1 890 818 222 TRP CA C 61.368 0.186 1 891 818 222 TRP CB C 27.677 0.052 1 892 818 222 TRP N N 122.319 0.064 1 893 819 223 SER H H 8.424 0.006 1 894 819 223 SER C C 176.286 0.002 1 895 819 223 SER CA C 61.658 0.048 1 896 819 223 SER CB C 63.451 0.091 1 897 819 223 SER N N 115.296 0.088 1 898 820 224 TYR H H 9.327 0.006 1 899 820 224 TYR C C 176.851 0.027 1 900 820 224 TYR CA C 62.363 0.015 1 901 820 224 TYR CB C 37.685 0.096 1 902 820 224 TYR N N 123.776 0.010 1 903 821 225 GLY H H 8.551 0.006 1 904 821 225 GLY C C 176.070 0.000 1 905 821 225 GLY CA C 47.187 0.000 1 906 821 225 GLY N N 108.726 0.069 1 907 822 226 ILE C C 178.109 0.000 1 908 822 226 ILE CA C 62.499 0.000 1 909 822 226 ILE CB C 32.827 0.000 1 910 823 227 VAL H H 8.806 0.005 1 911 823 227 VAL C C 178.562 0.000 1 912 823 227 VAL CA C 65.913 0.033 1 913 823 227 VAL CB C 29.596 0.033 1 914 823 227 VAL N N 123.378 0.046 1 915 824 228 MET H H 8.714 0.006 1 916 824 228 MET C C 177.591 0.036 1 917 824 228 MET CA C 59.383 0.003 1 918 824 228 MET CB C 33.128 0.000 1 919 824 228 MET N N 118.090 0.062 1 920 825 229 TRP H H 7.879 0.008 1 921 825 229 TRP C C 179.579 0.054 1 922 825 229 TRP CA C 63.375 0.120 1 923 825 229 TRP CB C 28.624 0.086 1 924 825 229 TRP N N 122.564 0.051 1 925 826 230 GLU H H 9.424 0.012 1 926 826 230 GLU C C 178.387 0.051 1 927 826 230 GLU CA C 61.012 0.061 1 928 826 230 GLU CB C 31.189 0.103 1 929 826 230 GLU N N 121.517 0.082 1 930 827 231 VAL H H 8.664 0.005 1 931 827 231 VAL C C 177.798 0.038 1 932 827 231 VAL CA C 64.997 0.062 1 933 827 231 VAL CB C 30.961 0.000 1 934 827 231 VAL N N 119.785 0.023 1 935 828 232 MET H H 8.000 0.009 1 936 828 232 MET C C 177.484 0.000 1 937 828 232 MET CA C 54.246 0.000 1 938 828 232 MET CB C 27.408 0.000 1 939 828 232 MET N N 112.511 0.047 1 940 829 233 SER C C 173.688 0.000 1 941 829 233 SER CA C 57.445 0.000 1 942 829 233 SER CB C 62.922 0.000 1 943 830 234 TYR H H 8.000 0.004 1 944 830 234 TYR C C 175.130 0.009 1 945 830 234 TYR CA C 60.853 0.012 1 946 830 234 TYR CB C 34.037 0.011 1 947 830 234 TYR N N 118.559 0.035 1 948 831 235 GLY H H 9.274 0.004 1 949 831 235 GLY C C 175.495 0.000 1 950 831 235 GLY CA C 45.506 0.125 1 951 831 235 GLY N N 103.189 0.048 1 952 832 236 GLU H H 7.006 0.008 1 953 832 236 GLU C C 175.220 0.002 1 954 832 236 GLU CA C 56.102 0.001 1 955 832 236 GLU CB C 29.434 0.092 1 956 832 236 GLU N N 121.374 0.068 1 957 833 237 ARG H H 9.027 0.008 1 958 833 237 ARG C C 174.571 0.000 1 959 833 237 ARG CA C 53.504 0.000 1 960 833 237 ARG CB C 30.598 0.000 1 961 833 237 ARG N N 127.492 0.035 1 962 834 238 PRO C C 173.197 0.000 1 963 834 238 PRO CA C 58.764 0.000 1 964 834 238 PRO CB C 34.163 0.000 1 965 835 239 TYR H H 7.967 0.004 1 966 835 239 TYR C C 175.286 0.000 1 967 835 239 TYR CA C 60.306 0.000 1 968 835 239 TYR CB C 25.321 0.000 1 969 835 239 TYR N N 117.980 0.038 1 970 837 241 ASP C C 177.174 0.000 1 971 837 241 ASP CA C 53.150 0.000 1 972 837 241 ASP CB C 39.596 0.000 1 973 838 242 MET H H 8.343 0.005 1 974 838 242 MET C C 177.865 0.006 1 975 838 242 MET CA C 57.353 0.028 1 976 838 242 MET CB C 33.400 0.001 1 977 838 242 MET N N 121.760 0.060 1 978 839 243 THR H H 9.032 0.007 1 979 839 243 THR C C 174.989 0.000 1 980 839 243 THR CA C 60.733 0.000 1 981 839 243 THR CB C 70.420 0.000 1 982 839 243 THR N N 115.619 0.040 1 983 840 244 ASN C C 176.941 0.000 1 984 840 244 ASN CA C 55.779 0.000 1 985 840 244 ASN CB C 36.570 0.000 1 986 841 245 GLN H H 8.315 0.009 1 987 841 245 GLN C C 177.548 0.005 1 988 841 245 GLN CA C 57.938 0.031 1 989 841 245 GLN CB C 27.567 0.059 1 990 841 245 GLN N N 118.439 0.054 1 991 842 246 ASP H H 7.573 0.004 1 992 842 246 ASP C C 179.007 0.032 1 993 842 246 ASP CA C 56.754 0.036 1 994 842 246 ASP CB C 39.403 0.040 1 995 842 246 ASP N N 120.265 0.068 1 996 843 247 VAL H H 7.928 0.005 1 997 843 247 VAL C C 176.548 0.016 1 998 843 247 VAL CA C 66.410 0.003 1 999 843 247 VAL CB C 30.103 0.024 1 1000 843 247 VAL N N 122.401 0.054 1 1001 844 248 ILE H H 7.363 0.005 1 1002 844 248 ILE C C 178.403 0.059 1 1003 844 248 ILE CA C 64.715 0.023 1 1004 844 248 ILE CB C 37.114 0.135 1 1005 844 248 ILE N N 118.933 0.055 1 1006 845 249 ASN H H 7.888 0.010 1 1007 845 249 ASN C C 177.245 0.018 1 1008 845 249 ASN CA C 55.069 0.033 1 1009 845 249 ASN CB C 37.487 0.062 1 1010 845 249 ASN N N 117.020 0.040 1 1011 846 250 ALA H H 8.123 0.005 1 1012 846 250 ALA C C 180.863 0.012 1 1013 846 250 ALA CA C 54.641 0.054 1 1014 846 250 ALA CB C 16.135 0.023 1 1015 846 250 ALA N N 123.224 0.015 1 1016 847 251 ILE H H 8.453 0.005 1 1017 847 251 ILE C C 181.200 0.023 1 1018 847 251 ILE CA C 63.312 0.059 1 1019 847 251 ILE CB C 36.356 0.090 1 1020 847 251 ILE N N 119.526 0.067 1 1021 848 252 GLU H H 7.698 0.007 1 1022 848 252 GLU C C 177.570 0.020 1 1023 848 252 GLU CA C 58.290 0.056 1 1024 848 252 GLU CB C 28.590 0.053 1 1025 848 252 GLU N N 122.508 0.060 1 1026 849 253 GLN H H 7.375 0.005 1 1027 849 253 GLN C C 175.087 0.013 1 1028 849 253 GLN CA C 54.517 0.007 1 1029 849 253 GLN CB C 27.110 0.012 1 1030 849 253 GLN N N 118.273 0.035 1 1031 850 254 ASP H H 7.757 0.004 1 1032 850 254 ASP C C 174.894 0.063 1 1033 850 254 ASP CA C 56.261 0.004 1 1034 850 254 ASP CB C 38.156 0.032 1 1035 850 254 ASP N N 112.842 0.070 1 1036 851 255 TYR H H 8.123 0.004 1 1037 851 255 TYR C C 175.717 0.010 1 1038 851 255 TYR CA C 59.548 0.063 1 1039 851 255 TYR CB C 38.791 0.007 1 1040 851 255 TYR N N 122.163 0.036 1 1041 852 256 ARG H H 6.816 0.006 1 1042 852 256 ARG C C 173.556 0.010 1 1043 852 256 ARG CA C 51.490 0.020 1 1044 852 256 ARG CB C 32.957 0.039 1 1045 852 256 ARG N N 125.889 0.028 1 1046 853 257 LEU H H 7.193 0.004 1 1047 853 257 LEU C C 174.760 0.000 1 1048 853 257 LEU CA C 52.835 0.000 1 1049 853 257 LEU CB C 38.819 0.000 1 1050 853 257 LEU N N 121.451 0.079 1 1051 856 260 PRO C C 174.788 0.000 1 1052 856 260 PRO CA C 61.059 0.000 1 1053 856 260 PRO CB C 31.107 0.000 1 1054 857 261 MET H H 8.568 0.012 1 1055 857 261 MET C C 177.048 0.008 1 1056 857 261 MET CA C 56.909 0.016 1 1057 857 261 MET CB C 30.957 0.134 1 1058 857 261 MET N N 122.626 0.024 1 1059 858 262 ASP H H 8.780 0.009 1 1060 858 262 ASP C C 174.274 0.017 1 1061 858 262 ASP CA C 55.685 0.030 1 1062 858 262 ASP CB C 38.745 0.090 1 1063 858 262 ASP N N 120.853 0.059 1 1064 859 263 CYS H H 7.843 0.003 1 1065 859 263 CYS C C 172.934 0.000 1 1066 859 263 CYS CA C 56.627 0.000 1 1067 859 263 CYS CB C 28.899 0.000 1 1068 859 263 CYS N N 120.856 0.018 1 1069 861 265 SER C C 178.619 0.000 1 1070 861 265 SER CA C 56.077 0.000 1 1071 861 265 SER CB C 63.596 0.000 1 1072 862 266 ALA H H 7.900 0.008 1 1073 862 266 ALA C C 180.844 0.000 1 1074 862 266 ALA CA C 54.481 0.086 1 1075 862 266 ALA CB C 17.617 0.018 1 1076 862 266 ALA N N 122.846 0.065 1 1077 863 267 LEU H H 6.950 0.005 1 1078 863 267 LEU C C 177.743 0.010 1 1079 863 267 LEU CA C 56.088 0.067 1 1080 863 267 LEU CB C 41.944 0.018 1 1081 863 267 LEU N N 115.539 0.068 1 1082 864 268 HIS H H 7.415 0.005 1 1083 864 268 HIS C C 176.440 0.002 1 1084 864 268 HIS CA C 59.406 0.008 1 1085 864 268 HIS CB C 30.664 0.086 1 1086 864 268 HIS N N 120.768 0.043 1 1087 865 269 GLN H H 8.455 0.006 1 1088 865 269 GLN C C 176.800 0.011 1 1089 865 269 GLN CA C 57.966 0.017 1 1090 865 269 GLN CB C 27.122 0.089 1 1091 865 269 GLN N N 117.363 0.033 1 1092 866 270 LEU H H 6.709 0.010 1 1093 866 270 LEU C C 178.428 0.048 1 1094 866 270 LEU CA C 56.764 0.041 1 1095 866 270 LEU CB C 40.437 0.021 1 1096 866 270 LEU N N 118.820 0.028 1 1097 867 271 MET H H 7.214 0.008 1 1098 867 271 MET C C 175.728 0.006 1 1099 867 271 MET CA C 60.020 0.049 1 1100 867 271 MET CB C 30.616 0.027 1 1101 867 271 MET N N 120.153 0.046 1 1102 868 272 LEU H H 7.333 0.008 1 1103 868 272 LEU C C 180.940 0.020 1 1104 868 272 LEU CA C 57.056 0.114 1 1105 868 272 LEU CB C 39.784 0.072 1 1106 868 272 LEU N N 114.250 0.063 1 1107 869 273 ASP H H 7.886 0.007 1 1108 869 273 ASP C C 179.054 0.000 1 1109 869 273 ASP CA C 56.746 0.000 1 1110 869 273 ASP CB C 39.216 0.000 1 1111 869 273 ASP N N 121.716 0.023 1 1112 870 274 CYS C C 174.048 0.000 1 1113 870 274 CYS CA C 63.600 0.000 1 1114 870 274 CYS CB C 25.410 0.000 1 1115 871 275 TRP H H 6.822 0.008 1 1116 871 275 TRP C C 176.579 0.007 1 1117 871 275 TRP CA C 51.951 0.004 1 1118 871 275 TRP CB C 26.194 0.061 1 1119 871 275 TRP N N 113.478 0.028 1 1120 872 276 GLN H H 6.876 0.008 1 1121 872 276 GLN C C 177.616 0.002 1 1122 872 276 GLN CA C 56.511 0.070 1 1123 872 276 GLN CB C 27.979 0.004 1 1124 872 276 GLN N N 119.487 0.023 1 1125 873 277 LYS H H 9.076 0.005 1 1126 873 277 LYS C C 176.670 0.007 1 1127 873 277 LYS CA C 59.933 0.154 1 1128 873 277 LYS CB C 32.085 0.003 1 1129 873 277 LYS N N 125.638 0.024 1 1130 874 278 ASP H H 8.456 0.009 1 1131 874 278 ASP C C 177.667 0.008 1 1132 874 278 ASP CA C 52.716 0.041 1 1133 874 278 ASP CB C 39.915 0.004 1 1134 874 278 ASP N N 118.065 0.026 1 1135 875 279 ARG H H 8.615 0.003 1 1136 875 279 ARG C C 177.171 0.012 1 1137 875 279 ARG CA C 57.966 0.007 1 1138 875 279 ARG CB C 28.587 0.047 1 1139 875 279 ARG N N 127.079 0.039 1 1140 876 280 ASN H H 8.676 0.008 1 1141 876 280 ASN C C 175.743 0.000 1 1142 876 280 ASN CA C 54.646 0.000 1 1143 876 280 ASN CB C 37.454 0.000 1 1144 876 280 ASN N N 118.498 0.059 1 1145 877 281 HIS C C 175.546 0.000 1 1146 877 281 HIS CA C 54.287 0.000 1 1147 877 281 HIS CB C 30.606 0.000 1 1148 878 282 ARG H H 6.802 0.006 1 1149 878 282 ARG C C 173.752 0.000 1 1150 878 282 ARG CB C 28.753 0.000 1 1151 878 282 ARG N N 119.804 0.042 1 1152 879 283 PRO C C 175.717 0.000 1 1153 879 283 PRO CA C 61.844 0.000 1 1154 879 283 PRO CB C 30.820 0.000 1 1155 880 284 LYS H H 8.031 0.007 1 1156 880 284 LYS C C 179.577 0.022 1 1157 880 284 LYS CA C 54.181 0.040 1 1158 880 284 LYS CB C 32.377 0.046 1 1159 880 284 LYS N N 117.646 0.025 1 1160 881 285 PHE H H 9.456 0.016 1 1161 881 285 PHE C C 178.593 0.002 1 1162 881 285 PHE CA C 63.974 0.002 1 1163 881 285 PHE CB C 36.900 0.072 1 1164 881 285 PHE N N 120.483 0.054 1 1165 882 286 GLY H H 9.134 0.007 1 1166 882 286 GLY C C 176.118 0.038 1 1167 882 286 GLY CA C 46.978 0.014 1 1168 882 286 GLY N N 106.129 0.036 1 1169 883 287 GLN H H 6.785 0.009 1 1170 883 287 GLN C C 178.956 0.024 1 1171 883 287 GLN CA C 57.628 0.121 1 1172 883 287 GLN CB C 28.004 0.000 1 1173 883 287 GLN N N 121.194 0.044 1 1174 884 288 ILE H H 7.741 0.004 1 1175 884 288 ILE C C 177.526 0.006 1 1176 884 288 ILE CA C 66.137 0.041 1 1177 884 288 ILE CB C 36.985 0.010 1 1178 884 288 ILE N N 123.288 0.067 1 1179 885 289 VAL H H 8.175 0.004 1 1180 885 289 VAL C C 177.012 0.003 1 1181 885 289 VAL CA C 67.428 0.009 1 1182 885 289 VAL CB C 30.878 0.032 1 1183 885 289 VAL N N 118.757 0.035 1 1184 886 290 ASN H H 7.409 0.004 1 1185 886 290 ASN C C 177.971 0.009 1 1186 886 290 ASN CA C 56.071 0.036 1 1187 886 290 ASN CB C 37.984 0.063 1 1188 886 290 ASN N N 115.910 0.055 1 1189 887 291 THR H H 8.390 0.006 1 1190 887 291 THR C C 176.326 0.000 1 1191 887 291 THR CA C 66.885 0.030 1 1192 887 291 THR CB C 68.229 0.046 1 1193 887 291 THR N N 119.448 0.048 1 1194 888 292 LEU H H 8.344 0.005 1 1195 888 292 LEU C C 178.992 0.042 1 1196 888 292 LEU CA C 57.700 0.011 1 1197 888 292 LEU CB C 40.362 0.024 1 1198 888 292 LEU N N 122.903 0.028 1 1199 889 293 ASP H H 8.654 0.005 1 1200 889 293 ASP C C 179.320 0.013 1 1201 889 293 ASP CA C 57.353 0.076 1 1202 889 293 ASP CB C 39.387 0.000 1 1203 889 293 ASP N N 120.030 0.039 1 1204 890 294 LYS H H 7.644 0.004 1 1205 890 294 LYS C C 179.040 0.019 1 1206 890 294 LYS CA C 59.447 0.028 1 1207 890 294 LYS CB C 31.212 0.092 1 1208 890 294 LYS N N 120.377 0.041 1 1209 891 295 MET H H 7.461 0.007 1 1210 891 295 MET C C 176.864 0.014 1 1211 891 295 MET CA C 58.829 0.038 1 1212 891 295 MET CB C 31.789 0.072 1 1213 891 295 MET N N 119.486 0.009 1 1214 892 296 ILE H H 7.676 0.007 1 1215 892 296 ILE C C 177.673 0.032 1 1216 892 296 ILE CA C 63.916 0.014 1 1217 892 296 ILE CB C 37.572 0.001 1 1218 892 296 ILE N N 116.947 0.063 1 1219 893 297 ARG H H 7.571 0.004 1 1220 893 297 ARG C C 176.086 0.027 1 1221 893 297 ARG CA C 57.004 0.026 1 1222 893 297 ARG CB C 29.864 0.041 1 1223 893 297 ARG N N 116.594 0.042 1 1224 894 298 ASN H H 7.389 0.007 1 1225 894 298 ASN C C 172.766 0.000 1 1226 894 298 ASN CA C 50.394 0.000 1 1227 894 298 ASN CB C 38.619 0.000 1 1228 894 298 ASN N N 116.502 0.024 1 1229 896 300 ASN C C 177.704 0.000 1 1230 896 300 ASN CA C 55.253 0.000 1 1231 896 300 ASN CB C 37.063 0.000 1 1232 897 301 SER H H 8.378 0.004 1 1233 897 301 SER C C 175.235 0.000 1 1234 897 301 SER CA C 60.308 0.002 1 1235 897 301 SER CB C 63.142 0.004 1 1236 897 301 SER N N 116.602 0.090 1 1237 898 302 LEU H H 7.437 0.004 1 1238 898 302 LEU C C 176.048 0.061 1 1239 898 302 LEU CA C 54.375 0.051 1 1240 898 302 LEU CB C 40.834 0.004 1 1241 898 302 LEU N N 121.664 0.014 1 1242 899 303 LYS H H 7.251 0.007 1 1243 899 303 LYS C C 176.327 0.018 1 1244 899 303 LYS CA C 56.374 0.010 1 1245 899 303 LYS CB C 32.472 0.063 1 1246 899 303 LYS N N 119.411 0.048 1 1247 900 304 ALA H H 7.930 0.006 1 1248 900 304 ALA C C 177.594 0.010 1 1249 900 304 ALA CA C 52.117 0.022 1 1250 900 304 ALA CB C 18.106 0.022 1 1251 900 304 ALA N N 123.975 0.044 1 1252 901 305 MET H H 8.415 0.011 1 1253 901 305 MET C C 175.700 0.007 1 1254 901 305 MET CA C 54.417 0.008 1 1255 901 305 MET CB C 32.763 0.043 1 1256 901 305 MET N N 122.240 0.024 1 1257 902 306 ALA H H 8.246 0.008 1 1258 902 306 ALA C C 175.330 0.000 1 1259 902 306 ALA CA C 50.185 0.000 1 1260 902 306 ALA CB C 17.387 0.000 1 1261 902 306 ALA N N 126.935 0.018 1 1262 903 307 PRO C C 176.802 0.000 1 1263 903 307 PRO CA C 62.401 0.000 1 1264 903 307 PRO CB C 31.250 0.000 1 1265 904 308 LEU H H 8.285 0.009 1 1266 904 308 LEU C C 177.579 0.016 1 1267 904 308 LEU CA C 54.894 0.032 1 1268 904 308 LEU CB C 41.297 0.033 1 1269 904 308 LEU N N 122.827 0.018 1 1270 905 309 SER H H 8.197 0.009 1 1271 905 309 SER C C 173.569 0.006 1 1272 905 309 SER CA C 57.762 0.005 1 1273 905 309 SER CB C 63.510 0.055 1 1274 905 309 SER N N 117.330 0.051 1 1275 906 310 SER H H 7.901 0.009 1 1276 906 310 SER C C 178.582 0.000 1 1277 906 310 SER CA C 59.646 0.000 1 1278 906 310 SER CB C 64.273 0.000 1 1279 906 310 SER N N 123.715 0.085 1 stop_ save_