data_7088 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; dynamics within the fMet-tRNA binding domain of translation initiation factor IF2 from Bacillus stearothermophilus ; _BMRB_accession_number 7088 _BMRB_flat_file_name bmr7088.str _Entry_type original _Submission_date 2006-04-25 _Accession_date 2006-04-25 _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 Wienk Hans . . 2 Tomaselli Simona . . 3 Spurio Roberto . . 4 Gualerzi Claudio O. . 5 Boelens Rolf . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 163 "13C chemical shifts" 332 "15N chemical shifts" 163 "T1 relaxation values" 145 "T2 relaxation values" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-11-21 original author . stop_ _Original_release_date 2006-11-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The nucleotide-binding site of bacterial translation initiation factor 2 (IF2) as a metabolic sensor' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16968770 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Milon P. . . 2 Tischenko E. . . 3 Tomsic J. . . 4 Caserta E. . . 5 Folkers G. . . 6 'La Teana' A. . . 7 Rodnina M. V. . 8 Pon C. L. . 9 Boelens Rolf . . 10 Gualerzi Claudio O. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 103 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13962 _Page_last 13967 _Year 2006 _Details . loop_ _Keyword eIF5B if2 nmr relaxation ribosome 'translation initiation' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IF2 domain III-IV' _Enzyme_commission_number 3.6.5.3 loop_ _Mol_system_component_name _Mol_label 'IF2 domain III-IV' $IF2_domain_III-IV stop_ _System_molecular_weight 26759 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IF2_domain_III-IV _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'domain III-IV' _Molecular_mass 26759 _Mol_thiol_state 'all free' loop_ _Biological_function 'delivery of fMet-tRNA to the ribosome' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 240 _Mol_residue_sequence ; NEFELGTRGSSRVDLQEQRS VKTRVSLDDLFEQIKQGEMK ELNLIVKADVQGSVEALVAA LQKIDVEGVRVKIIHAAVGA ITESDISLATASNAIVIGFN VRPDANAKRAAESEKVDIRL HRIIYNVIEEIEAAMKGMLD EYEEKVIGQAEVRQTFKVSK VGTIAGCYVTDGKITRDSKV RLIRQGIVVYEGEIDSLKRY KDDVREVAQGYECGLTIKNF NDIKEGDVIEAYVMQEVARA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 501 ASN 2 502 GLU 3 503 PHE 4 504 GLU 5 505 LEU 6 506 GLY 7 507 THR 8 508 ARG 9 509 GLY 10 510 SER 11 511 SER 12 512 ARG 13 513 VAL 14 514 ASP 15 515 LEU 16 516 GLN 17 517 GLU 18 518 GLN 19 519 ARG 20 520 SER 21 521 VAL 22 522 LYS 23 523 THR 24 524 ARG 25 525 VAL 26 526 SER 27 527 LEU 28 528 ASP 29 529 ASP 30 530 LEU 31 531 PHE 32 532 GLU 33 533 GLN 34 534 ILE 35 535 LYS 36 536 GLN 37 537 GLY 38 538 GLU 39 539 MET 40 540 LYS 41 541 GLU 42 542 LEU 43 543 ASN 44 544 LEU 45 545 ILE 46 546 VAL 47 547 LYS 48 548 ALA 49 549 ASP 50 550 VAL 51 551 GLN 52 552 GLY 53 553 SER 54 554 VAL 55 555 GLU 56 556 ALA 57 557 LEU 58 558 VAL 59 559 ALA 60 560 ALA 61 561 LEU 62 562 GLN 63 563 LYS 64 564 ILE 65 565 ASP 66 566 VAL 67 567 GLU 68 568 GLY 69 569 VAL 70 570 ARG 71 571 VAL 72 572 LYS 73 573 ILE 74 574 ILE 75 575 HIS 76 576 ALA 77 577 ALA 78 578 VAL 79 579 GLY 80 580 ALA 81 581 ILE 82 582 THR 83 583 GLU 84 584 SER 85 585 ASP 86 586 ILE 87 587 SER 88 588 LEU 89 589 ALA 90 590 THR 91 591 ALA 92 592 SER 93 593 ASN 94 594 ALA 95 595 ILE 96 596 VAL 97 597 ILE 98 598 GLY 99 599 PHE 100 600 ASN 101 601 VAL 102 602 ARG 103 603 PRO 104 604 ASP 105 605 ALA 106 606 ASN 107 607 ALA 108 608 LYS 109 609 ARG 110 610 ALA 111 611 ALA 112 612 GLU 113 613 SER 114 614 GLU 115 615 LYS 116 616 VAL 117 617 ASP 118 618 ILE 119 619 ARG 120 620 LEU 121 621 HIS 122 622 ARG 123 623 ILE 124 624 ILE 125 625 TYR 126 626 ASN 127 627 VAL 128 628 ILE 129 629 GLU 130 630 GLU 131 631 ILE 132 632 GLU 133 633 ALA 134 634 ALA 135 635 MET 136 636 LYS 137 637 GLY 138 638 MET 139 639 LEU 140 640 ASP 141 642 GLU 142 643 TYR 143 644 GLU 144 645 GLU 145 646 LYS 146 647 VAL 147 648 ILE 148 649 GLY 149 650 GLN 150 651 ALA 151 652 GLU 152 653 VAL 153 654 ARG 154 655 GLN 155 656 THR 156 657 PHE 157 658 LYS 158 659 VAL 159 660 SER 160 661 LYS 161 662 VAL 162 663 GLY 163 664 THR 164 665 ILE 165 666 ALA 166 667 GLY 167 668 CYS 168 669 TYR 169 670 VAL 170 671 THR 171 672 ASP 172 673 GLY 173 674 LYS 174 675 ILE 175 676 THR 176 677 ARG 177 678 ASP 178 679 SER 179 680 LYS 180 681 VAL 181 682 ARG 182 683 LEU 183 684 ILE 184 685 ARG 185 686 GLN 186 687 GLY 187 688 ILE 188 689 VAL 189 690 VAL 190 691 TYR 191 692 GLU 192 693 GLY 193 694 GLU 194 695 ILE 195 696 ASP 196 697 SER 197 698 LEU 198 699 LYS 199 700 ARG 200 701 TYR 201 702 LYS 202 703 ASP 203 704 ASP 204 705 VAL 205 706 ARG 206 707 GLU 207 708 VAL 208 709 ALA 209 710 GLN 210 711 GLY 211 712 TYR 212 713 GLU 213 714 CYS 214 715 GLY 215 716 LEU 216 717 THR 217 718 ILE 218 719 LYS 219 720 ASN 220 721 PHE 221 722 ASN 222 723 ASP 223 724 ILE 224 725 LYS 225 726 GLU 226 727 GLY 227 728 ASP 228 729 VAL 229 730 ILE 230 731 GLU 231 732 ALA 232 733 TYR 233 734 VAL 234 735 MET 235 736 GLN 236 737 GLU 237 738 VAL 238 739 ALA 239 740 ARG 240 741 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 6577 IF2-C1_polypeptide 56.25 135 100.00 100.00 1.74e-86 PDB 1Z9B "Solution Structure Of The C1-Subdomain Of Bacillus Stearothermophilus Translation Initiation Factor If2" 56.25 135 100.00 100.00 1.74e-86 DBJ BAD75548 "translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" 78.33 709 99.47 99.47 4.23e-119 DBJ GAD12201 "translation initiation factor IF-2 [Geobacillus kaustophilus GBlys]" 94.58 734 99.12 99.56 9.57e-150 DBJ GAJ59418 "translation initiation factor IF-2 [Geobacillus thermoleovorans B23]" 94.58 739 99.12 99.56 1.20e-149 EMBL CAA27987 "unnamed protein product [Geobacillus stearothermophilus]" 94.58 741 99.56 99.56 7.49e-150 GB ACX78663 "translation initiation factor IF-2 [Geobacillus sp. Y412MC61]" 94.58 739 99.12 99.56 1.20e-149 GB ADI27260 "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" 94.58 739 99.12 99.56 9.47e-150 GB ADU93636 "translation initiation factor IF-2 [Geobacillus sp. Y412MC52]" 94.58 739 99.12 99.56 1.20e-149 GB AEV18768 "Translation initiation factor IF-2 [Geobacillus thermoleovorans CCB_US3_UF5]" 94.58 739 99.12 99.56 1.20e-149 GB AGE21726 "translation initiation factor IF-2 [Geobacillus sp. GHH01]" 94.58 739 98.68 99.12 3.98e-149 REF WP_011230763 "translation initiation factor IF-2 [Geobacillus kaustophilus]" 78.33 709 99.47 99.47 4.23e-119 REF WP_013145729 "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" 94.58 739 99.12 99.56 9.47e-150 REF WP_013523417 "MULTISPECIES: translation initiation factor IF-2 [Geobacillus]" 94.58 739 99.12 99.56 1.20e-149 REF WP_015374430 "translation initiation factor IF-2 [Geobacillus sp. GHH01]" 94.58 739 98.68 99.12 3.98e-149 REF WP_020959388 "translation initiation factor IF-2 [Geobacillus sp. JF8]" 94.58 741 97.80 99.12 9.04e-148 SP P04766 "RecName: Full=Translation initiation factor IF-2 [Geobacillus stearothermophilus]" 94.58 741 99.56 99.56 7.49e-150 SP Q5L0I8 "RecName: Full=Translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" 78.33 709 99.47 99.47 4.23e-119 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IF2_domain_III-IV 'bacillus stearothermophilus' 1422 Eubacteria . Bacillus stearothermophilus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $IF2_domain_III-IV 'recombinant technology' 'E. coli' Escherichia coli 'JM109 / pCI' plasmid pEV1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'protease inhibitor and NaN3 were present to stabilize the sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IF2_domain_III-IV 0.5 mM [U-15N] 'potassium phosphate' 20 mM . 'potassium chloride' 200 mM . D2O 10 '% (v/v)' [U-2H] 'EDTA-free protease inhibitor' . mM . 'sodium azide' 0.02 '% (w/v)' . stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'protease inhibitor and NaN3 were present to stabilize the sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IF2_domain_III-IV 0.5 mM '[U-13C; U-15N]' 'Potassium phosphate' 20 mM . 'potassium chloride' 200 mM . D2O 10 '% (v/v)' [U-2H] 'EDTA-free protease inhibitor' . mM . 'sodium azide' 0.02 '% (w/v)' . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address BRUKER . www.bruker-biospin.de/NMR/ stop_ loop_ _Task 'acquisition of NMR spectra' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Frank Delaglio' 'NIH, NIDDK' delaglio@nih.gov stop_ loop_ _Task 'processing of NMR spectra' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.3 loop_ _Vendor _Address _Electronic_address 'Bruce A. Johnson' 'Merck Research Laboratories' bruce_johnson@merck.com stop_ loop_ _Task 'spectral analysis and heteronuclear NOE calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CurveFit _Version . loop_ _Vendor _Address _Electronic_address 'A.G. Palmer III' 'Columbia University Medical Center' agp6@columbia.edu stop_ loop_ _Task 'fitting of signal intensities to obtain relaxation rates' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600.13 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_2 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_NOESY-[15N]-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-[15N]-HSQC _Sample_label $sample_2 save_ save_R1-1H15N-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name R1-1H15N-HSQC _Sample_label $sample_2 save_ save_R2-1H15N-CPMG_7 _Saveframe_category NMR_applied_experiment _Experiment_name R2-1H15N-CPMG _Sample_label $sample_2 save_ save_1H15N-hetNOE_8 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N-hetNOE _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.2 0 pH temperature 307 0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H15N_HSQC HNCA HNCACB CBCA(CO)NH NOESY-[15N]-HSQC R1-1H15N-HSQC R2-1H15N-CPMG 1H15N-hetNOE stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'IF2 domain III-IV' _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 1 509 9 GLY CA C 45.350 0.2 1 2 510 10 SER H H 8.240 0.02 1 3 510 10 SER CA C 58.160 0.2 1 4 510 10 SER CB C 63.904 0.2 1 5 510 10 SER N N 115.862 0.2 1 6 511 11 SER H H 8.374 0.02 1 7 511 11 SER CA C 58.330 0.2 1 8 511 11 SER CB C 63.850 0.2 1 9 511 11 SER N N 117.504 0.2 1 10 512 12 ARG H H 8.324 0.02 1 11 512 12 ARG CA C 56.080 0.2 1 12 512 12 ARG CB C 30.800 0.2 1 13 512 12 ARG N N 122.900 0.2 1 14 513 13 VAL H H 8.145 0.02 1 15 513 13 VAL CA C 62.360 0.2 1 16 513 13 VAL CB C 32.730 0.2 1 17 513 13 VAL N N 120.590 0.2 1 18 514 14 ASP H H 8.405 0.02 1 19 514 14 ASP CA C 54.350 0.2 1 20 514 14 ASP CB C 41.120 0.2 1 21 514 14 ASP N N 123.160 0.2 1 22 515 15 LEU H H 8.132 0.02 1 23 515 15 LEU CA C 55.600 0.2 1 24 515 15 LEU CB C 42.130 0.2 1 25 515 15 LEU N N 122.520 0.2 1 26 516 16 GLN H H 8.325 0.02 1 27 516 16 GLN CA C 56.190 0.2 1 28 516 16 GLN CB C 29.180 0.2 1 29 516 16 GLN N N 120.200 0.2 1 30 517 17 GLU H H 8.340 0.02 1 31 517 17 GLU CA C 56.100 0.2 1 32 517 17 GLU CB C 29.350 0.2 1 33 517 17 GLU N N 120.970 0.2 1 34 543 43 ASN CA C 52.710 0.2 1 35 543 43 ASN CB C 38.320 0.2 1 36 544 44 LEU H H 8.952 0.02 1 37 544 44 LEU CA C 53.340 0.2 1 38 544 44 LEU CB C 47.730 0.2 1 39 544 44 LEU N N 118.920 0.2 1 40 545 45 ILE H H 8.731 0.02 1 41 545 45 ILE CA C 59.830 0.2 1 42 545 45 ILE CB C 40.834 0.2 1 43 545 45 ILE N N 122.640 0.2 1 44 546 46 VAL H H 8.856 0.02 1 45 546 46 VAL CA C 61.200 0.2 1 46 546 46 VAL CB C 34.530 0.2 1 47 546 46 VAL N N 126.593 0.2 1 48 547 47 LYS H H 8.855 0.02 1 49 547 47 LYS CA C 51.440 0.2 1 50 547 47 LYS CB C 30.740 0.2 1 51 547 47 LYS N N 125.392 0.2 1 52 548 48 ALA H H 7.982 0.02 1 53 548 48 ALA CA C 49.420 0.2 1 54 548 48 ALA CB C 23.750 0.2 1 55 548 48 ALA N N 120.694 0.2 1 56 549 49 ASP H H 8.861 0.02 1 57 549 49 ASP CA C 56.620 0.2 1 58 549 49 ASP CB C 39.800 0.2 1 59 549 49 ASP N N 118.013 0.2 1 60 550 50 VAL H H 7.629 0.02 1 61 550 50 VAL CA C 59.040 0.2 1 62 550 50 VAL CB C 36.690 0.2 1 63 550 50 VAL N N 110.449 0.2 1 64 551 51 GLN H H 9.237 0.02 1 65 551 51 GLN CA C 59.170 0.2 1 66 551 51 GLN CB C 27.610 0.2 1 67 551 51 GLN N N 126.553 0.2 1 68 552 52 GLY H H 9.098 0.02 1 69 552 52 GLY CA C 47.010 0.2 1 70 552 52 GLY N N 105.421 0.2 1 71 553 53 SER H H 7.350 0.02 1 72 553 53 SER CA C 60.850 0.2 1 73 553 53 SER CB C 63.270 0.2 1 74 553 53 SER N N 117.389 0.2 1 75 554 54 VAL H H 7.400 0.02 1 76 554 54 VAL CA C 67.410 0.2 1 77 554 54 VAL CB C 31.250 0.2 1 78 554 54 VAL N N 121.726 0.2 1 79 555 55 GLU H H 7.978 0.02 1 80 555 55 GLU CA C 59.380 0.2 1 81 555 55 GLU CB C 29.440 0.2 1 82 555 55 GLU N N 115.900 0.2 1 83 556 56 ALA H H 7.762 0.02 1 84 556 56 ALA CA C 54.640 0.2 1 85 556 56 ALA CB C 18.640 0.2 1 86 556 56 ALA N N 120.700 0.2 1 87 557 57 LEU H H 8.125 0.02 1 88 557 57 LEU CA C 58.010 0.2 1 89 557 57 LEU CB C 41.510 0.2 1 90 557 57 LEU N N 119.600 0.2 1 91 558 58 VAL H H 8.586 0.02 1 92 558 58 VAL CA C 67.950 0.2 1 93 558 58 VAL CB C 31.090 0.2 1 94 558 58 VAL N N 119.120 0.2 1 95 559 59 ALA H H 7.593 0.02 1 96 559 59 ALA CA C 55.150 0.2 1 97 559 59 ALA CB C 17.960 0.2 1 98 559 59 ALA N N 118.964 0.2 1 99 560 60 ALA H H 7.527 0.02 1 100 560 60 ALA CA C 54.810 0.2 1 101 560 60 ALA CB C 18.440 0.2 1 102 560 60 ALA N N 118.904 0.2 1 103 561 61 LEU H H 8.750 0.02 1 104 561 61 LEU CA C 57.570 0.2 1 105 561 61 LEU CB C 42.040 0.2 1 106 561 61 LEU N N 119.555 0.2 1 107 562 62 GLN H H 7.851 0.02 1 108 562 62 GLN CA C 57.830 0.2 1 109 562 62 GLN CB C 28.750 0.2 1 110 562 62 GLN N N 115.170 0.2 1 111 563 63 LYS H H 7.185 0.02 1 112 563 63 LYS CA C 56.190 0.2 1 113 563 63 LYS CB C 32.630 0.2 1 114 563 63 LYS N N 115.883 0.2 1 115 564 64 ILE H H 7.197 0.02 1 116 564 64 ILE CA C 63.780 0.2 1 117 564 64 ILE CB C 37.900 0.2 1 118 564 64 ILE N N 120.432 0.2 1 119 565 65 ASP H H 8.724 0.02 1 120 565 65 ASP CA C 53.940 0.2 1 121 565 65 ASP CB C 41.610 0.2 1 122 565 65 ASP N N 129.330 0.2 1 123 572 72 LYS CA C 54.830 0.2 1 124 572 72 LYS CB C 34.460 0.2 1 125 573 73 ILE H H 8.980 0.02 1 126 573 73 ILE CA C 59.900 0.2 1 127 573 73 ILE CB C 35.740 0.2 1 128 573 73 ILE N N 127.013 0.2 1 129 574 74 ILE H H 9.082 0.02 1 130 574 74 ILE CA C 61.280 0.2 1 131 574 74 ILE CB C 37.380 0.2 1 132 574 74 ILE N N 127.814 0.2 1 133 575 75 HIS H H 7.140 0.02 1 134 575 75 HIS CA C 56.450 0.2 1 135 575 75 HIS CB C 34.010 0.2 1 136 575 75 HIS N N 117.260 0.2 1 137 576 76 ALA H H 7.824 0.02 1 138 576 76 ALA CA C 50.060 0.2 1 139 576 76 ALA CB C 20.810 0.2 1 140 576 76 ALA N N 130.490 0.2 1 141 577 77 ALA H H 8.512 0.02 1 142 577 77 ALA CA C 51.010 0.2 1 143 577 77 ALA CB C 23.310 0.2 1 144 577 77 ALA N N 123.237 0.2 1 145 578 78 VAL H H 8.189 0.02 1 146 578 78 VAL CA C 61.370 0.2 1 147 578 78 VAL CB C 33.150 0.2 1 148 578 78 VAL N N 118.247 0.2 1 149 579 79 GLY H H 8.701 0.02 1 150 579 79 GLY CA C 43.850 0.2 1 151 579 79 GLY N N 114.825 0.2 1 152 580 80 ALA H H 7.875 0.02 1 153 580 80 ALA CA C 52.390 0.2 1 154 580 80 ALA CB C 19.000 0.2 1 155 580 80 ALA N N 118.374 0.2 1 156 581 81 ILE H H 6.808 0.02 1 157 581 81 ILE CA C 61.800 0.2 1 158 581 81 ILE CB C 39.280 0.2 1 159 581 81 ILE N N 120.084 0.2 1 160 582 82 THR H H 8.944 0.02 1 161 582 82 THR CA C 60.040 0.2 1 162 582 82 THR CB C 72.880 0.2 1 163 582 82 THR N N 118.549 0.2 1 164 583 83 GLU H H 9.948 0.02 1 165 583 83 GLU CA C 60.620 0.2 1 166 583 83 GLU CB C 29.540 0.2 1 167 583 83 GLU N N 121.953 0.2 1 168 584 84 SER H H 8.191 0.02 1 169 584 84 SER CA C 62.070 0.2 1 170 584 84 SER CB C 62.070 0.2 1 171 584 84 SER N N 114.566 0.2 1 172 585 85 ASP H H 7.566 0.02 1 173 585 85 ASP CA C 58.000 0.2 1 174 585 85 ASP CB C 40.660 0.2 1 175 585 85 ASP N N 123.655 0.2 1 176 586 86 ILE CA C 61.780 0.2 1 177 586 86 ILE CB C 40.640 0.2 1 178 587 87 SER H H 8.461 0.02 1 179 587 87 SER CA C 62.466 0.2 1 180 587 87 SER CB C 61.800 0.2 1 181 587 87 SER N N 117.230 0.2 1 182 588 88 LEU H H 7.917 0.02 1 183 588 88 LEU CA C 57.480 0.2 1 184 588 88 LEU CB C 41.090 0.2 1 185 588 88 LEU N N 123.418 0.2 1 186 589 89 ALA H H 8.330 0.02 1 187 589 89 ALA CA C 55.500 0.2 1 188 589 89 ALA CB C 18.730 0.2 1 189 589 89 ALA N N 123.930 0.2 1 190 590 90 THR H H 8.564 0.02 1 191 590 90 THR CA C 65.350 0.2 1 192 590 90 THR CB C 68.530 0.2 1 193 590 90 THR N N 113.443 0.2 1 194 591 91 ALA H H 7.689 0.02 1 195 591 91 ALA CA C 54.380 0.2 1 196 591 91 ALA CB C 18.910 0.2 1 197 591 91 ALA N N 123.950 0.2 1 198 592 92 SER H H 7.734 0.02 1 199 592 92 SER N N 109.377 0.2 1 200 594 94 ALA H H 8.435 0.02 1 201 594 94 ALA N N 119.326 0.2 1 202 596 96 VAL CA C 61.102 0.2 1 203 596 96 VAL CB C 33.130 0.2 1 204 597 97 ILE H H 9.408 0.02 1 205 597 97 ILE CA C 58.500 0.2 1 206 597 97 ILE CB C 39.480 0.2 1 207 597 97 ILE N N 127.453 0.2 1 208 598 98 GLY H H 9.240 0.02 1 209 598 98 GLY CA C 45.320 0.2 1 210 598 98 GLY N N 112.821 0.2 1 211 599 99 PHE H H 9.538 0.02 1 212 599 99 PHE CA C 56.880 0.2 1 213 599 99 PHE CB C 40.350 0.2 1 214 599 99 PHE N N 129.198 0.2 1 215 600 100 ASN H H 8.470 0.02 1 216 600 100 ASN CA C 55.030 0.2 1 217 600 100 ASN CB C 37.360 0.2 1 218 600 100 ASN N N 119.300 0.2 1 219 601 101 VAL H H 6.931 0.02 1 220 601 101 VAL CA C 59.210 0.2 1 221 601 101 VAL CB C 36.860 0.2 1 222 601 101 VAL N N 105.121 0.2 1 223 602 102 ARG H H 8.405 0.02 1 224 602 102 ARG CA C 53.480 0.2 1 225 602 102 ARG CB C 32.240 0.2 1 226 602 102 ARG N N 117.652 0.2 1 227 605 105 ALA CA C 56.080 0.2 1 228 605 105 ALA CB C 18.540 0.2 1 229 606 106 ASN H H 8.319 0.02 1 230 606 106 ASN CA C 55.590 0.2 1 231 606 106 ASN CB C 37.810 0.2 1 232 606 106 ASN N N 116.599 0.2 1 233 607 107 ALA H H 9.069 0.02 1 234 607 107 ALA CA C 55.330 0.2 1 235 607 107 ALA CB C 19.430 0.2 1 236 607 107 ALA N N 125.729 0.2 1 237 608 108 LYS H H 8.530 0.02 1 238 608 108 LYS CA C 59.900 0.2 1 239 608 108 LYS CB C 32.630 0.2 1 240 608 108 LYS N N 117.927 0.2 1 241 609 109 ARG H H 7.520 0.02 1 242 609 109 ARG CA C 59.470 0.2 1 243 609 109 ARG CB C 29.870 0.2 1 244 609 109 ARG N N 118.284 0.2 1 245 610 110 ALA H H 8.110 0.02 1 246 610 110 ALA CA C 54.810 0.2 1 247 610 110 ALA CB C 17.960 0.2 1 248 610 110 ALA N N 122.900 0.2 1 249 611 111 ALA H H 8.812 0.02 1 250 611 111 ALA CA C 55.240 0.2 1 251 611 111 ALA CB C 17.960 0.2 1 252 611 111 ALA N N 120.193 0.2 1 253 612 112 GLU H H 7.895 0.02 1 254 612 112 GLU CA C 58.850 0.2 1 255 612 112 GLU CB C 29.440 0.2 1 256 612 112 GLU N N 117.141 0.2 1 257 613 113 SER H H 8.025 0.02 1 258 613 113 SER CA C 61.280 0.2 1 259 613 113 SER CB C 63.270 0.2 1 260 613 113 SER N N 114.500 0.2 1 261 614 114 GLU H H 8.210 0.02 1 262 614 114 GLU CA C 55.760 0.2 1 263 614 114 GLU CB C 30.220 0.2 1 264 614 114 GLU N N 117.250 0.2 1 265 615 115 LYS H H 7.752 0.02 1 266 615 115 LYS CA C 56.620 0.2 1 267 615 115 LYS CB C 29.350 0.2 1 268 615 115 LYS N N 117.250 0.2 1 269 616 116 VAL H H 8.090 0.02 1 270 616 116 VAL CA C 61.710 0.2 1 271 616 116 VAL CB C 34.100 0.2 1 272 616 116 VAL N N 120.640 0.2 1 273 617 117 ASP CA C 54.250 0.2 1 274 617 117 ASP CB C 42.090 0.2 1 275 618 118 ILE H H 7.368 0.02 1 276 618 118 ILE CA C 59.810 0.2 1 277 618 118 ILE CB C 39.800 0.2 1 278 618 118 ILE N N 124.664 0.2 1 279 619 119 ARG H H 9.383 0.02 1 280 619 119 ARG CA C 52.310 0.2 1 281 619 119 ARG N N 126.457 0.2 1 282 623 123 ILE CA C 59.850 0.2 1 283 623 123 ILE CB C 40.930 0.2 1 284 624 124 ILE H H 9.353 0.02 1 285 624 124 ILE CA C 66.700 0.2 1 286 624 124 ILE CB C 36.970 0.2 1 287 624 124 ILE N N 129.970 0.2 1 288 625 125 TYR H H 8.039 0.02 1 289 625 125 TYR CA C 61.450 0.2 1 290 625 125 TYR CB C 38.160 0.2 1 291 625 125 TYR N N 116.990 0.2 1 292 626 126 ASN H H 6.982 0.02 1 293 626 126 ASN CA C 55.670 0.2 1 294 626 126 ASN CB C 38.240 0.2 1 295 626 126 ASN N N 115.450 0.2 1 296 627 127 VAL H H 7.281 0.02 1 297 627 127 VAL CA C 65.590 0.2 1 298 627 127 VAL CB C 31.340 0.2 1 299 627 127 VAL N N 119.560 0.2 1 300 646 145 LYS CA C 54.640 0.2 1 301 646 145 LYS CB C 34.530 0.2 1 302 647 146 VAL H H 8.745 0.02 1 303 647 146 VAL CA C 63.780 0.2 1 304 647 146 VAL CB C 31.680 0.2 1 305 647 146 VAL N N 127.360 0.2 1 306 648 147 ILE H H 9.226 0.02 1 307 648 147 ILE CA C 61.100 0.2 1 308 648 147 ILE CB C 40.350 0.2 1 309 648 147 ILE N N 123.117 0.2 1 310 649 148 GLY H H 7.867 0.02 1 311 649 148 GLY CA C 46.780 0.2 1 312 649 148 GLY N N 110.770 0.2 1 313 650 149 GLN H H 8.593 0.02 1 314 650 149 GLN CA C 54.300 0.2 1 315 650 149 GLN CB C 34.010 0.2 1 316 650 149 GLN N N 116.145 0.2 1 317 651 150 ALA H H 9.474 0.02 1 318 651 150 ALA CA C 50.150 0.2 1 319 651 150 ALA CB C 23.310 0.2 1 320 651 150 ALA N N 122.139 0.2 1 321 652 151 GLU H H 8.926 0.02 1 322 652 151 GLU CA C 54.730 0.2 1 323 652 151 GLU CB C 33.070 0.2 1 324 652 151 GLU N N 120.012 0.2 1 325 653 152 VAL H H 9.066 0.02 1 326 653 152 VAL CA C 63.350 0.2 1 327 653 152 VAL CB C 30.740 0.2 1 328 653 152 VAL N N 124.359 0.2 1 329 654 153 ARG H H 9.363 0.02 1 330 654 153 ARG CA C 57.050 0.2 1 331 654 153 ARG CB C 31.660 0.2 1 332 654 153 ARG N N 131.196 0.2 1 333 655 154 GLN H H 8.279 0.02 1 334 655 154 GLN CA C 55.330 0.2 1 335 655 154 GLN CB C 33.070 0.2 1 336 655 154 GLN N N 116.445 0.2 1 337 656 155 THR H H 8.450 0.02 1 338 656 155 THR CA C 59.550 0.2 1 339 656 155 THR CB C 72.150 0.2 1 340 656 155 THR N N 111.796 0.2 1 341 657 156 PHE H H 8.835 0.02 1 342 657 156 PHE CA C 56.080 0.2 1 343 657 156 PHE CB C 41.000 0.2 1 344 657 156 PHE N N 119.301 0.2 1 345 658 157 LYS H H 8.798 0.02 1 346 658 157 LYS CA C 56.000 0.2 1 347 658 157 LYS CB C 32.630 0.2 1 348 658 157 LYS N N 124.360 0.2 1 349 659 158 VAL H H 8.462 0.02 1 350 659 158 VAL CA C 61.800 0.2 1 351 659 158 VAL CB C 33.070 0.2 1 352 659 158 VAL N N 125.135 0.2 1 353 661 160 LYS CA C 59.210 0.2 1 354 661 160 LYS CB C 31.340 0.2 1 355 662 161 VAL H H 7.936 0.02 1 356 662 161 VAL CA C 63.610 0.2 1 357 662 161 VAL CB C 34.010 0.2 1 358 662 161 VAL N N 117.977 0.2 1 359 663 162 GLY H H 8.147 0.02 1 360 663 162 GLY CA C 44.890 0.2 1 361 663 162 GLY N N 108.257 0.2 1 362 664 163 THR H H 8.356 0.02 1 363 664 163 THR CA C 61.870 0.2 1 364 664 163 THR CB C 70.250 0.2 1 365 664 163 THR N N 120.180 0.2 1 366 665 164 ILE H H 9.098 0.02 1 367 665 164 ILE CA C 60.420 0.2 1 368 665 164 ILE CB C 40.050 0.2 1 369 665 164 ILE N N 127.175 0.2 1 370 666 165 ALA H H 9.287 0.02 1 371 666 165 ALA CA C 50.490 0.2 1 372 666 165 ALA CB C 20.040 0.2 1 373 666 165 ALA N N 129.377 0.2 1 374 667 166 GLY H H 9.536 0.02 1 375 667 166 GLY CA C 46.270 0.2 1 376 667 166 GLY N N 115.984 0.2 1 377 668 167 CYS H H 9.300 0.02 1 378 668 167 CYS CA C 57.570 0.2 1 379 668 167 CYS CB C 32.200 0.2 1 380 668 167 CYS N N 123.118 0.2 1 381 669 168 TYR H H 8.820 0.02 1 382 669 168 TYR CA C 57.220 0.2 1 383 669 168 TYR CB C 42.040 0.2 1 384 669 168 TYR N N 122.623 0.2 1 385 670 169 VAL H H 7.894 0.02 1 386 670 169 VAL CA C 64.130 0.2 1 387 670 169 VAL CB C 30.480 0.2 1 388 670 169 VAL N N 128.966 0.2 1 389 671 170 THR H H 8.635 0.02 1 390 671 170 THR CA C 62.840 0.2 1 391 671 170 THR CB C 68.820 0.2 1 392 671 170 THR N N 120.747 0.2 1 393 672 171 ASP H H 7.758 0.02 1 394 672 171 ASP CA C 54.300 0.2 1 395 672 171 ASP CB C 45.320 0.2 1 396 672 171 ASP N N 120.752 0.2 1 397 673 172 GLY H H 8.439 0.02 1 398 673 172 GLY CA C 46.870 0.2 1 399 673 172 GLY N N 111.268 0.2 1 400 674 173 LYS H H 9.072 0.02 1 401 674 173 LYS CA C 54.640 0.2 1 402 674 173 LYS CB C 35.910 0.2 1 403 674 173 LYS N N 123.946 0.2 1 404 675 174 ILE H H 8.295 0.02 1 405 675 174 ILE CA C 59.550 0.2 1 406 675 174 ILE CB C 39.190 0.2 1 407 675 174 ILE N N 115.006 0.2 1 408 676 175 THR H H 7.044 0.02 1 409 676 175 THR CA C 58.860 0.2 1 410 676 175 THR CB C 71.630 0.2 1 411 676 175 THR N N 112.842 0.2 1 412 677 176 ARG H H 8.435 0.02 1 413 677 176 ARG CA C 58.170 0.2 1 414 677 176 ARG CB C 29.700 0.2 1 415 677 176 ARG N N 120.097 0.2 1 416 678 177 ASP H H 7.968 0.02 1 417 678 177 ASP CA C 53.170 0.2 1 418 678 177 ASP CB C 40.570 0.2 1 419 678 177 ASP N N 114.867 0.2 1 420 679 178 SER H H 7.500 0.02 1 421 679 178 SER CA C 60.500 0.2 1 422 679 178 SER CB C 64.130 0.2 1 423 679 178 SER N N 117.170 0.2 1 424 680 179 LYS H H 8.408 0.02 1 425 680 179 LYS CA C 55.250 0.2 1 426 680 179 LYS CB C 31.170 0.2 1 427 680 179 LYS N N 121.563 0.2 1 428 681 180 VAL H H 8.237 0.02 1 429 681 180 VAL CA C 58.170 0.2 1 430 681 180 VAL CB C 36.340 0.2 1 431 681 180 VAL N N 110.479 0.2 1 432 682 181 ARG H H 9.210 0.02 1 433 682 181 ARG CA C 54.300 0.2 1 434 682 181 ARG CB C 33.580 0.2 1 435 682 181 ARG N N 121.082 0.2 1 436 683 182 LEU H H 8.927 0.02 1 437 683 182 LEU CA C 53.860 0.2 1 438 683 182 LEU CB C 45.320 0.2 1 439 683 182 LEU N N 126.541 0.2 1 440 684 183 ILE H H 9.964 0.02 1 441 684 183 ILE CA C 60.760 0.2 1 442 684 183 ILE CB C 39.800 0.2 1 443 684 183 ILE N N 129.011 0.2 1 444 685 184 ARG H H 9.383 0.02 1 445 685 184 ARG CA C 55.150 0.2 1 446 685 184 ARG CB C 33.580 0.2 1 447 685 184 ARG N N 130.746 0.2 1 448 686 185 GLN H H 9.516 0.02 1 449 686 185 GLN CA C 57.140 0.2 1 450 686 185 GLN CB C 26.850 0.2 1 451 686 185 GLN N N 127.486 0.2 1 452 687 186 GLY H H 8.216 0.02 1 453 687 186 GLY CA C 45.400 0.2 1 454 687 186 GLY N N 102.399 0.2 1 455 688 187 ILE H H 7.680 0.02 1 456 688 187 ILE CA C 59.040 0.2 1 457 688 187 ILE CB C 39.230 0.2 1 458 688 187 ILE N N 121.166 0.2 1 459 689 188 VAL H H 8.600 0.02 1 460 689 188 VAL CA C 63.650 0.2 1 461 689 188 VAL CB C 31.340 0.2 1 462 689 188 VAL N N 127.040 0.2 1 463 690 189 VAL H H 9.076 0.02 1 464 690 189 VAL CA C 62.140 0.2 1 465 690 189 VAL CB C 33.320 0.2 1 466 690 189 VAL N N 125.910 0.2 1 467 691 190 TYR H H 7.477 0.02 1 468 691 190 TYR CA C 58.950 0.2 1 469 691 190 TYR CB C 42.040 0.2 1 470 691 190 TYR N N 119.300 0.2 1 471 692 191 GLU H H 6.764 0.02 1 472 692 191 GLU CA C 54.810 0.2 1 473 692 191 GLU CB C 32.200 0.2 1 474 692 191 GLU N N 126.702 0.2 1 475 693 192 GLY H H 8.815 0.02 1 476 693 192 GLY CA C 46.270 0.2 1 477 693 192 GLY N N 109.883 0.2 1 478 694 193 GLU H H 8.656 0.02 1 479 694 193 GLU CA C 55.240 0.2 1 480 694 193 GLU CB C 33.930 0.2 1 481 694 193 GLU N N 123.053 0.2 1 482 695 194 ILE H H 8.551 0.02 1 483 695 194 ILE CA C 61.800 0.2 1 484 695 194 ILE CB C 38.760 0.2 1 485 695 194 ILE N N 122.424 0.2 1 486 696 195 ASP H H 8.981 0.02 1 487 696 195 ASP CA C 54.210 0.2 1 488 696 195 ASP CB C 42.560 0.2 1 489 696 195 ASP N N 126.008 0.2 1 490 697 196 SER H H 7.670 0.02 1 491 697 196 SER CA C 58.000 0.2 1 492 697 196 SER CB C 65.590 0.2 1 493 697 196 SER N N 112.728 0.2 1 494 698 197 LEU H H 8.379 0.02 1 495 698 197 LEU CA C 54.810 0.2 1 496 698 197 LEU CB C 45.320 0.2 1 497 698 197 LEU N N 123.730 0.2 1 498 699 198 LYS H H 9.144 0.02 1 499 699 198 LYS CA C 54.640 0.2 1 500 699 198 LYS CB C 38.420 0.2 1 501 699 198 LYS N N 124.268 0.2 1 502 700 199 ARG H H 8.479 0.02 1 503 700 199 ARG CA C 55.670 0.2 1 504 700 199 ARG CB C 31.600 0.2 1 505 700 199 ARG N N 120.446 0.2 1 506 701 200 TYR H H 9.068 0.02 1 507 701 200 TYR CA C 59.460 0.2 1 508 701 200 TYR CB C 35.140 0.2 1 509 701 200 TYR N N 125.029 0.2 1 510 702 201 LYS H H 8.227 0.02 1 511 702 201 LYS CA C 57.140 0.2 1 512 702 201 LYS CB C 32.200 0.2 1 513 702 201 LYS N N 119.002 0.2 1 514 703 202 ASP H H 8.054 0.02 1 515 703 202 ASP CA C 53.770 0.2 1 516 703 202 ASP CB C 42.470 0.2 1 517 703 202 ASP N N 120.572 0.2 1 518 704 203 ASP H H 8.524 0.02 1 519 704 203 ASP CA C 55.590 0.2 1 520 704 203 ASP CB C 41.690 0.2 1 521 704 203 ASP N N 122.557 0.2 1 522 705 204 VAL H H 8.331 0.02 1 523 705 204 VAL CA C 59.040 0.2 1 524 705 204 VAL CB C 35.480 0.2 1 525 705 204 VAL N N 115.572 0.2 1 526 706 205 ARG H H 8.600 0.02 1 527 706 205 ARG CA C 57.530 0.2 1 528 706 205 ARG CB C 31.090 0.2 1 529 706 205 ARG N N 118.970 0.2 1 530 707 206 GLU H H 7.453 0.02 1 531 707 206 GLU CA C 54.300 0.2 1 532 707 206 GLU CB C 33.580 0.2 1 533 707 206 GLU N N 113.630 0.2 1 534 708 207 VAL H H 8.671 0.02 1 535 708 207 VAL CA C 62.320 0.2 1 536 708 207 VAL CB C 34.880 0.2 1 537 708 207 VAL N N 120.602 0.2 1 538 709 208 ALA H H 8.080 0.02 1 539 709 208 ALA CA C 51.010 0.2 1 540 709 208 ALA CB C 21.760 0.2 1 541 709 208 ALA N N 128.907 0.2 1 542 710 209 GLN H H 7.418 0.02 1 543 710 209 GLN CA C 56.620 0.2 1 544 710 209 GLN CB C 28.750 0.2 1 545 710 209 GLN N N 115.285 0.2 1 546 711 210 GLY H H 8.793 0.02 1 547 711 210 GLY CA C 44.020 0.2 1 548 711 210 GLY N N 110.944 0.2 1 549 712 211 TYR H H 7.388 0.02 1 550 712 211 TYR CA C 57.140 0.2 1 551 712 211 TYR CB C 40.570 0.2 1 552 712 211 TYR N N 117.742 0.2 1 553 713 212 GLU H H 8.289 0.02 1 554 713 212 GLU CA C 54.720 0.2 1 555 713 212 GLU CB C 32.200 0.2 1 556 713 212 GLU N N 118.106 0.2 1 557 714 213 CYS H H 7.172 0.02 1 558 714 213 CYS CA C 56.020 0.2 1 559 714 213 CYS CB C 32.550 0.2 1 560 714 213 CYS N N 116.010 0.2 1 561 715 214 GLY H H 9.087 0.02 1 562 715 214 GLY CA C 43.940 0.2 1 563 715 214 GLY N N 109.116 0.2 1 564 716 215 LEU H H 9.171 0.02 1 565 716 215 LEU CA C 54.300 0.2 1 566 716 215 LEU CB C 46.700 0.2 1 567 716 215 LEU N N 124.532 0.2 1 568 717 216 THR H H 8.298 0.02 1 569 717 216 THR CA C 59.380 0.2 1 570 717 216 THR CB C 71.720 0.2 1 571 717 216 THR N N 111.206 0.2 1 572 718 217 ILE H H 9.582 0.02 1 573 718 217 ILE CA C 60.420 0.2 1 574 718 217 ILE CB C 39.010 0.2 1 575 718 217 ILE N N 124.524 0.2 1 576 719 218 LYS H H 8.681 0.02 1 577 719 218 LYS CA C 58.520 0.2 1 578 719 218 LYS CB C 33.070 0.2 1 579 719 218 LYS N N 127.476 0.2 1 580 720 219 ASN H H 9.266 0.02 1 581 720 219 ASN CA C 54.720 0.2 1 582 720 219 ASN CB C 37.720 0.2 1 583 720 219 ASN N N 120.454 0.2 1 584 721 220 PHE H H 7.563 0.02 1 585 721 220 PHE CA C 59.900 0.2 1 586 721 220 PHE CB C 42.040 0.2 1 587 721 220 PHE N N 118.482 0.2 1 588 722 221 ASN CA C 52.510 0.2 1 589 722 221 ASN CB C 41.610 0.2 1 590 723 222 ASP H H 5.481 0.02 1 591 723 222 ASP CA C 53.170 0.2 1 592 723 222 ASP CB C 39.190 0.2 1 593 723 222 ASP N N 122.484 0.2 1 594 724 223 ILE H H 7.117 0.02 1 595 724 223 ILE CA C 60.420 0.2 1 596 724 223 ILE CB C 41.090 0.2 1 597 724 223 ILE N N 120.848 0.2 1 598 725 224 LYS H H 9.199 0.02 1 599 725 224 LYS CA C 54.720 0.2 1 600 725 224 LYS CB C 36.430 0.2 1 601 725 224 LYS N N 127.772 0.2 1 602 726 225 GLU H H 8.827 0.02 1 603 726 225 GLU CA C 59.040 0.2 1 604 726 225 GLU CB C 28.840 0.2 1 605 726 225 GLU N N 121.082 0.2 1 606 727 226 GLY H H 9.130 0.02 1 607 727 226 GLY CA C 44.890 0.2 1 608 727 226 GLY N N 114.750 0.2 1 609 728 227 ASP H H 8.128 0.02 1 610 728 227 ASP CA C 55.670 0.2 1 611 728 227 ASP CB C 41.430 0.2 1 612 728 227 ASP N N 123.608 0.2 1 613 729 228 VAL H H 9.024 0.02 1 614 729 228 VAL CA C 61.280 0.2 1 615 729 228 VAL CB C 35.050 0.2 1 616 729 228 VAL N N 120.538 0.2 1 617 730 229 ILE H H 9.305 0.02 1 618 730 229 ILE CA C 58.950 0.2 1 619 730 229 ILE CB C 40.140 0.2 1 620 730 229 ILE N N 125.757 0.2 1 621 731 230 GLU H H 9.116 0.02 1 622 731 230 GLU CA C 55.150 0.2 1 623 731 230 GLU CB C 33.690 0.2 1 624 731 230 GLU N N 128.040 0.2 1 625 732 231 ALA H H 8.876 0.02 1 626 732 231 ALA CA C 50.060 0.2 1 627 732 231 ALA CB C 21.330 0.2 1 628 732 231 ALA N N 129.462 0.2 1 629 733 232 TYR H H 9.325 0.02 1 630 733 232 TYR CA C 55.670 0.2 1 631 733 232 TYR CB C 42.470 0.2 1 632 733 232 TYR N N 120.967 0.2 1 633 735 234 MET CA C 55.760 0.2 1 634 735 234 MET CB C 30.020 0.2 1 635 736 235 GLN H H 7.709 0.02 1 636 736 235 GLN CA C 56.620 0.2 1 637 736 235 GLN CB C 29.350 0.2 1 638 736 235 GLN N N 117.593 0.2 1 639 737 236 GLU H H 8.899 0.02 1 640 737 236 GLU CA C 56.860 0.2 1 641 737 236 GLU CB C 30.120 0.2 1 642 737 236 GLU N N 124.885 0.2 1 643 738 237 VAL H H 8.188 0.02 1 644 738 237 VAL CA C 62.400 0.2 1 645 738 237 VAL CB C 32.720 0.2 1 646 738 237 VAL N N 123.398 0.2 1 647 739 238 ALA H H 8.379 0.02 1 648 739 238 ALA CA C 52.220 0.2 1 649 739 238 ALA CB C 19.170 0.2 1 650 739 238 ALA N N 128.317 0.2 1 651 740 239 ARG H H 8.296 0.02 1 652 740 239 ARG CA C 55.670 0.2 1 653 740 239 ARG CB C 31.080 0.2 1 654 740 239 ARG N N 121.807 0.2 1 655 741 240 ALA H H 7.957 0.02 1 656 741 240 ALA CA C 53.690 0.2 1 657 741 240 ALA CB C 20.290 0.2 1 658 741 240 ALA N N 130.888 0.2 1 stop_ save_ save_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $software_4 stop_ loop_ _Sample_label $sample_2 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600.13 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name 'IF2 domain III-IV' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 10 SER N 0.8630 0.0276 2 11 SER N 0.8954 0.0245 3 13 VAL N 0.8411 0.0378 4 16 GLN N 0.8377 0.0420 5 44 LEU N 0.8404 0.0151 6 45 ILE N 0.9051 0.0214 7 46 VAL N 0.8955 0.0133 8 47 LYS N 0.9112 0.0136 9 48 ALA N 0.8814 0.0125 10 49 ASP N 0.9105 0.0122 11 50 VAL N 0.9044 0.0101 12 51 GLN N 0.8460 0.0138 13 52 GLY N 0.8503 0.0128 14 54 VAL N 0.9027 0.0108 15 55 GLU N 0.8856 0.0096 16 58 VAL N 0.9057 0.0084 17 59 ALA N 0.8817 0.0061 18 60 ALA N 0.9067 0.0078 19 61 LEU N 0.8904 0.0125 20 62 GLN N 0.9015 0.0116 21 63 LYS N 0.8953 0.0107 22 64 ILE N 0.8689 0.0133 23 65 ASP N 0.8867 0.0101 24 73 ILE N 0.8935 0.0107 25 74 ILE N 0.8962 0.0273 26 77 ALA N 0.8948 0.0114 27 78 VAL N 0.9753 0.0099 28 79 GLY N 0.8542 0.0139 29 80 ALA N 1.0144 0.0095 30 81 ILE N 0.9720 0.0231 31 82 THR N 0.8789 0.0194 32 83 GLU N 0.9416 0.0176 33 84 SER N 0.9959 0.0304 34 85 ASP N 0.9053 0.0112 35 87 SER N 0.8682 0.0305 36 88 LEU N 0.8897 0.0130 37 89 ALA N 0.8636 0.0104 38 90 THR N 0.9010 0.0130 39 91 ALA N 0.8745 0.0271 40 92 SER N 1.0334 0.0555 41 97 ILE N 0.8586 0.0146 42 98 GLY N 0.9230 0.0253 43 100 ASN N 0.8745 0.0187 44 101 VAL N 0.8943 0.0072 45 102 ARG N 0.8874 0.0162 46 106 ASN N 0.8892 0.0059 47 107 ALA N 0.8938 0.0090 48 108 LYS N 0.9142 0.0127 49 109 ARG N 0.8807 0.0066 50 110 ALA N 0.8652 0.0078 51 111 ALA N 0.8953 0.0102 52 112 GLU N 0.9072 0.0123 53 113 SER N 0.9304 0.0096 54 114 GLU N 0.9410 0.0172 55 118 ILE N 0.9522 0.0165 56 119 ARG N 0.8992 0.0213 57 124 ILE N 0.8450 0.0165 58 126 ASN N 0.9120 0.0105 59 127 VAL N 0.8623 0.0144 60 146 VAL N 0.9819 0.0154 61 147 ILE N 0.8365 0.0335 62 148 GLY N 0.8232 0.0140 63 149 GLN N 0.8365 0.0112 64 150 ALA N 0.8908 0.0152 65 151 GLU N 0.8906 0.0135 66 152 VAL N 0.9014 0.0132 67 153 ARG N 0.8384 0.0202 68 154 GLN N 0.9442 0.0096 69 155 THR N 0.9932 0.0093 70 156 PHE N 1.0656 0.0167 71 157 LYS N 1.0091 0.0111 72 158 VAL N 1.0052 0.0106 73 161 VAL N 0.9872 0.0092 74 162 GLY N 0.9112 0.0078 75 163 THR N 1.0467 0.0118 76 164 ILE N 0.9547 0.0116 77 165 ALA N 0.8634 0.0157 78 166 GLY N 0.8087 0.0175 79 167 CYS N 0.8547 0.0150 80 168 TYR N 0.8769 0.0135 81 169 VAL N 0.8813 0.0153 82 170 THR N 0.8199 0.0208 83 171 ASP N 0.8750 0.0070 84 172 GLY N 0.8787 0.0090 85 173 LYS N 1.0053 0.0307 86 174 ILE N 0.9703 0.0158 87 175 THR N 0.9051 0.0147 88 176 ARG N 0.8612 0.0108 89 177 ASP N 0.8074 0.0095 90 178 SER N 1.0399 0.0085 91 179 LYS N 0.8774 0.0119 92 180 VAL N 0.7940 0.0117 93 181 ARG N 0.8226 0.0174 94 182 LEU N 0.8846 0.0155 95 183 ILE N 0.8498 0.0158 96 184 ARG N 0.9134 0.0179 97 185 GLN N 0.8588 0.0146 98 186 GLY N 0.9528 0.0142 99 187 ILE N 0.9984 0.0102 100 188 VAL N 1.0036 0.0183 101 190 TYR N 0.8054 0.0077 102 191 GLU N 0.8797 0.0085 103 192 GLY N 0.8254 0.0088 104 193 GLU N 0.8714 0.0112 105 194 ILE N 0.9449 0.0152 106 195 ASP N 0.8454 0.0192 107 196 SER N 0.8763 0.0094 108 197 LEU N 0.8564 0.0092 109 198 LYS N 0.7906 0.0181 110 199 ARG N 0.8953 0.0087 111 200 TYR N 0.8449 0.0161 112 201 LYS N 0.8833 0.0086 113 202 ASP N 0.8474 0.0064 114 203 ASP N 0.9777 0.0090 115 204 VAL N 0.8895 0.0118 116 206 GLU N 0.9311 0.0089 117 207 VAL N 0.9566 0.0137 118 208 ALA N 0.9531 0.0110 119 209 GLN N 1.0820 0.0117 120 210 GLY N 0.8147 0.0165 121 211 TYR N 1.1571 0.0143 122 212 GLU N 0.9543 0.0118 123 213 CYS N 0.8496 0.0076 124 214 GLY N 0.8201 0.0159 125 215 LEU N 0.8467 0.0150 126 216 THR N 0.8610 0.0136 127 217 ILE N 0.9951 0.0335 128 218 LYS N 0.8676 0.0111 129 219 ASN N 0.9666 0.0166 130 220 PHE N 0.8976 0.0059 131 222 ASP N 1.0414 0.0170 132 223 ILE N 1.0256 0.0122 133 224 LYS N 0.9129 0.0132 134 225 GLU N 0.9579 0.0083 135 226 GLY N 0.8499 0.0181 136 227 ASP N 0.9103 0.0087 137 228 VAL N 0.8666 0.0137 138 229 ILE N 0.8587 0.0142 139 231 ALA N 0.8037 0.0123 140 232 TYR N 0.8516 0.0164 141 235 GLN N 0.9178 0.0143 142 237 VAL N 0.8078 0.0051 143 238 ALA N 0.7740 0.0022 144 239 ARG N 0.8958 0.0026 145 240 ALA N 1.1857 0.0025 stop_ save_ save_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $software_4 stop_ loop_ _Experiment_label $R2-1H15N-CPMG_7 stop_ loop_ _Sample_label $sample_2 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600.13 _T2_coherence_type 15N _T2_value_units s-1 _Mol_system_component_name 'IF2 domain III-IV' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 10 SER N 0.0536 0.0012 . . 2 11 SER N 0.0612 0.0026 . . 3 13 VAL N 0.1542 0.0107 . . 4 16 GLN N 0.1204 0.0085 . . 5 44 LEU N 0.0681 0.0019 . . 6 45 ILE N 0.0640 0.0025 . . 7 46 VAL N 0.0643 0.0015 . . 8 47 LYS N 0.0676 0.0016 . . 9 48 ALA N 0.0702 0.0015 . . 10 49 ASP N 0.0642 0.0013 . . 11 50 VAL N 0.0644 0.0012 . . 12 51 GLN N 0.0674 0.0018 . . 13 52 GLY N 0.0621 0.0015 . . 14 54 VAL N 0.0717 0.0014 . . 15 55 GLU N 0.0575 0.0010 . . 16 58 VAL N 0.0609 0.0009 . . 17 59 ALA N 0.0588 0.0007 . . 18 60 ALA N 0.0624 0.0008 . . 19 61 LEU N 0.0577 0.0013 . . 20 62 GLN N 0.0557 0.0012 . . 21 63 LYS N 0.0612 0.0012 . . 22 64 ILE N 0.0691 0.0017 . . 23 65 ASP N 0.0663 0.0013 . . 24 73 ILE N 0.0727 0.0013 . . 25 74 ILE N 0.0635 0.0032 . . 26 77 ALA N 0.0703 0.0015 . . 27 78 VAL N 0.0694 0.0010 . . 28 79 GLY N 0.0633 0.0016 . . 29 80 ALA N 0.0687 0.0010 . . 30 81 ILE N 0.0657 0.0022 . . 31 82 THR N 0.0683 0.0021 . . 32 83 GLU N 0.0692 0.0019 . . 33 84 SER N 0.0685 0.0027 . . 34 85 ASP N 0.0658 0.0012 . . 35 87 SER N 0.0627 0.0038 . . 36 88 LEU N 0.0572 0.0014 . . 37 89 ALA N 0.0672 0.0013 . . 38 90 THR N 0.0627 0.0015 . . 39 91 ALA N 0.0682 0.0034 . . 40 92 SER N 0.0672 0.0048 . . 41 97 ILE N 0.0677 0.0018 . . 42 98 GLY N 0.0722 0.0029 . . 43 100 ASN N 0.0636 0.0024 . . 44 101 VAL N 0.0658 0.0009 . . 45 102 ARG N 0.0596 0.0019 . . 46 106 ASN N 0.0656 0.0007 . . 47 107 ALA N 0.0604 0.0010 . . 48 108 LYS N 0.0626 0.0015 . . 49 109 ARG N 0.0655 0.0008 . . 50 110 ALA N 0.0686 0.0010 . . 51 111 ALA N 0.0591 0.0010 . . 52 112 GLU N 0.0626 0.0014 . . 53 113 SER N 0.0675 0.0011 . . 54 114 GLU N 0.0637 0.0017 . . 55 118 ILE N 0.0733 0.0018 . . 56 119 ARG N 0.0670 0.0024 . . 57 124 ILE N 0.0638 0.0019 . . 58 126 ASN N 0.0592 0.0010 . . 59 127 VAL N 0.0649 0.0017 . . 60 146 VAL N 0.0587 0.0015 . . 61 147 ILE N 0.0610 0.0044 . . 62 148 GLY N 0.0583 0.0016 . . 63 149 GLN N 0.0618 0.0013 . . 64 150 ALA N 0.0603 0.0016 . . 65 151 GLU N 0.0686 0.0015 . . 66 152 VAL N 0.0657 0.0019 . . 67 153 ARG N 0.0612 0.0025 . . 68 154 GLN N 0.0666 0.0010 . . 69 155 THR N 0.0731 0.0011 . . 70 156 PHE N 0.0572 0.0013 . . 71 157 LYS N 0.0681 0.0010 . . 72 158 VAL N 0.0713 0.0012 . . 73 161 VAL N 0.0792 0.0011 . . 74 162 GLY N 0.0801 0.0010 . . 75 163 THR N 0.0668 0.0012 . . 76 164 ILE N 0.0611 0.0012 . . 77 165 ALA N 0.0565 0.0018 . . 78 166 GLY N 0.0670 0.0020 . . 79 167 CYS N 0.0689 0.0019 . . 80 168 TYR N 0.0664 0.0015 . . 81 169 VAL N 0.0597 0.0018 . . 82 170 THR N 0.0647 0.0024 . . 83 171 ASP N 0.0614 0.0008 . . 84 172 GLY N 0.0766 0.0015 . . 85 173 LYS N 0.0554 0.0026 . . 86 174 ILE N 0.0597 0.0016 . . 87 175 THR N 0.0597 0.0016 . . 88 176 ARG N 0.0682 0.0014 . . 89 177 ASP N 0.0710 0.0012 . . 90 178 SER N 0.0656 0.0008 . . 91 179 LYS N 0.0680 0.0017 . . 92 180 VAL N 0.0672 0.0017 . . 93 181 ARG N 0.0689 0.0025 . . 94 182 LEU N 0.0654 0.0017 . . 95 183 ILE N 0.0676 0.0021 . . 96 184 ARG N 0.0563 0.0019 . . 97 185 GLN N 0.0658 0.0018 . . 98 186 GLY N 0.0639 0.0015 . . 99 187 ILE N 0.0544 0.0009 . . 100 188 VAL N 0.0627 0.0020 . . 101 190 TYR N 0.0714 0.0011 . . 102 191 GLU N 0.0743 0.0011 . . 103 192 GLY N 0.0714 0.0012 . . 104 193 GLU N 0.0708 0.0014 . . 105 194 ILE N 0.0667 0.0018 . . 106 195 ASP N 0.0689 0.0024 . . 107 196 SER N 0.0909 0.0014 . . 108 197 LEU N 0.0845 0.0015 . . 109 198 LYS N 0.0737 0.0025 . . 110 199 ARG N 0.0683 0.0011 . . 111 200 TYR N 0.0750 0.0021 . . 112 201 LYS N 0.0686 0.0010 . . 113 202 ASP N 0.0780 0.0009 . . 114 203 ASP N 0.0743 0.0011 . . 115 204 VAL N 0.0707 0.0014 . . 116 206 GLU N 0.0643 0.0010 . . 117 207 VAL N 0.0579 0.0013 . . 118 208 ALA N 0.0663 0.0012 . . 119 209 GLN N 0.0614 0.0010 . . 120 210 GLY N 0.0639 0.0021 . . 121 211 TYR N 0.0633 0.0026 . . 122 212 GLU N 0.0676 0.0013 . . 123 213 CYS N 0.0664 0.0009 . . 124 214 GLY N 0.0694 0.0021 . . 125 215 LEU N 0.0694 0.0020 . . 126 216 THR N 0.0664 0.0019 . . 127 217 ILE N 0.0624 0.0025 . . 128 218 LYS N 0.0667 0.0014 . . 129 219 ASN N 0.0662 0.0017 . . 130 220 PHE N 0.0701 0.0007 . . 131 222 ASP N 0.0556 0.0012 . . 132 223 ILE N 0.0665 0.0011 . . 133 224 LYS N 0.0620 0.0015 . . 134 225 GLU N 0.0644 0.0008 . . 135 226 GLY N 0.0678 0.0024 . . 136 227 ASP N 0.0641 0.0010 . . 137 228 VAL N 0.0671 0.0017 . . 138 229 ILE N 0.0649 0.0017 . . 139 231 ALA N 0.0637 0.0016 . . 140 232 TYR N 0.0607 0.0019 . . 141 235 GLN N 0.0633 0.0016 . . 142 237 VAL N 0.1021 0.0010 . . 143 238 ALA N 0.1588 0.0008 . . 144 239 ARG N 0.2405 0.0014 . . 145 240 ALA N 0.5261 0.0032 . . stop_ save_ save_heteronucl_NOE_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $software_3 stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600.13 _Mol_system_component_name 'IF2 domain III-IV' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type hetNOE _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 10 SER 0.617870507 0.083153797 11 SER 0.786633487 0.078208319 44 LEU 0.690068493 0.042327228 45 ILE 0.767582258 0.04900978 46 VAL 0.834420342 0.035428443 47 LYS 0.802688237 0.08853475 48 ALA 0.795637419 0.026381744 49 ASP 0.734487758 0.036247405 50 VAL 0.737987857 0.025638336 51 GLN 0.827865831 0.028961087 52 GLY 0.810184589 0.023610217 54 VAL 0.722525601 0.025399171 55 GLU 0.730033901 0.021680858 58 VAL 0.723955648 0.018002537 59 ALA 0.725119243 0.019577134 60 ALA 0.715242601 0.023025076 61 LEU 0.858496833 0.035643115 62 GLN 0.793401015 0.027237836 63 LYS 0.672180877 0.022245591 64 ILE 0.744205777 0.029627635 65 ASP 0.642097845 0.026276814 73 ILE 0.67860492 0.026449301 74 ILE 0.703828742 0.042200568 77 ALA 0.762730566 0.022900446 78 VAL 0.806164717 0.029781243 79 GLY 0.835672534 0.036326409 80 ALA 0.727379905 0.018794905 81 ILE 0.758327266 0.050054605 82 THR 0.919445983 0.048753463 83 GLU 0.754185367 0.040969106 84 SER 0.672465961 0.044976898 85 ASP 0.749531185 0.024268096 87 SER 0.744634936 0.065939336 88 LEU 0.751605064 0.026599925 89 ALA 0.736339256 0.03072969 90 THR 0.752059725 0.029329423 91 ALA 0.841825223 0.074086547 92 SER 0.504891536 0.103974668 97 ILE 0.827784344 0.040003637 98 GLY 0.741998199 0.045022921 100 ASN 0.709486896 0.03691399 101 VAL 0.731468061 0.020572861 102 ARG 0.699251256 0.043693273 106 ASN 0.665364293 0.016920604 107 ALA 0.749656221 0.017691572 108 LYS 0.758929414 0.025950741 109 ARG 0.801799028 0.020528324 110 ALA 0.676717367 0.084287958 111 ALA 0.814986583 0.03412387 112 GLU 0.741254725 0.029384659 113 SER 0.724461127 0.025024171 114 GLU 0.623767341 0.052529787 118 ILE 0.807650406 0.038044512 119 ARG 0.672499049 0.059772863 124 ILE 0.707997092 0.03998546 126 ASN 0.736199424 0.028548442 127 VAL 0.727318453 0.027664257 146 VAL 0.734854952 0.035436432 147 ILE 0.724544036 0.053642836 148 GLY 0.711660261 0.029773182 149 GLN 0.715757649 0.026605394 150 ALA 0.596679052 0.042134293 151 GLU 0.830261179 0.040838299 152 VAL 0.74081751 0.027143404 153 ARG 0.574550939 0.049520551 154 GLN 0.63400406 0.028268188 155 THR 0.724473885 0.021849023 156 PHE 0.648233834 0.035468425 157 LYS 0.622832127 0.021790161 158 VAL 0.638264578 0.020132509 161 VAL 0.383314001 0.016788254 162 GLY 0.511557158 0.023401517 163 THR 0.624285879 0.02544235 164 ILE 0.696081557 0.018459473 165 ALA 0.772063709 0.044298572 166 GLY 0.78436844 0.056320721 167 CYS 0.780715709 0.040228939 168 TYR 0.751293857 0.036967334 169 VAL 0.764301042 0.033721643 170 THR 0.708392365 0.033514617 171 ASP 0.737516328 0.017311112 172 GLY 0.707970626 0.024552475 173 LYS 0.728234872 0.043849159 174 ILE 0.826612547 0.048530839 175 THR 0.689255601 0.036159826 176 ARG 0.717319569 0.024525652 177 ASP 0.69467139 0.02094879 178 SER 0.682063059 0.021051624 179 LYS 0.593661905 0.029960915 180 VAL 0.722532178 0.037307738 181 ARG 0.803159174 0.039897717 182 LEU 0.706914424 0.042231351 183 ILE 0.766099847 0.047961631 184 ARG 0.779755598 0.051800052 185 GLN 0.644258689 0.048394193 186 GLY 0.756082144 0.033918165 187 ILE 0.728726101 0.021872918 188 VAL 0.803649219 0.0368608 190 TYR 0.672990063 0.024535225 191 GLU 0.75164286 0.026429919 192 GLY 0.640825003 0.02527864 193 GLU 0.647992849 0.02587596 194 ILE 0.618085398 0.025144007 195 ASP 0.678593826 0.039418753 196 SER 0.616552005 0.023611991 197 LEU 0.647879003 0.02599551 198 LYS 0.711638218 0.032513116 199 ARG 0.734766484 0.017470994 200 TYR 0.582426735 0.028629431 201 LYS 0.67383628 0.027257747 202 ASP 0.626386433 0.017682045 203 ASP 0.670645098 0.016692717 204 VAL 0.63582732 0.034065219 206 GLU 0.707802988 0.023872305 207 VAL 0.753459413 0.030171291 208 ALA 0.766429678 0.026828941 209 GLN 0.729180573 0.024889412 210 GLY 0.700435752 0.045007263 211 TYR 0.616942091 0.019175121 212 GLU 0.757046767 0.03481839 213 CYS 0.815506361 0.020386037 214 GLY 0.79956523 0.032313974 215 LEU 0.813121096 0.032485271 216 THR 0.771045241 0.041748899 217 ILE 0.718128981 0.055836146 218 LYS 0.715552292 0.023415714 219 ASN 0.711107138 0.035756079 220 PHE 0.726963799 0.018014625 222 ASP 0.6730137 0.026887306 223 ILE 0.618124912 0.025788906 224 LYS 0.701146064 0.024743288 225 GLU 0.76185792 0.024874778 226 GLY 0.776504014 0.036340811 227 ASP 0.677517352 0.022655655 228 VAL 0.812681273 0.03843869 229 ILE 0.835804313 0.04006994 231 ALA 0.793322022 0.035214649 232 TYR 0.677398464 0.050883523 235 GLN 0.766919147 0.038752862 237 VAL 0.21293776 0.020027492 238 ALA 0.050886112 0.009994594 239 ARG -0.155294632 0.011450104 240 ALA -0.702107491 0.005992607 stop_ save_