data_27321 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments and 15N backbone relaxation data for intracellular loop 2 of the human ZIP4 protein ; _BMRB_accession_number 27321 _BMRB_flat_file_name bmr27321.str _Entry_type original _Submission_date 2017-11-30 _Accession_date 2017-11-30 _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 Bafaro Elizabeth M. . 2 Maciejewski Mark W. . 3 Hoch Jeffrey C. . 4 Dempski Robert E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 385 "13C chemical shifts" 350 "15N chemical shifts" 156 "T1 relaxation values" 79 "T2 relaxation values" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-21 original BMRB . stop_ _Original_release_date 2017-11-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Concomitant disorder and high-affinity zinc binding in the human zinc- and iron-regulated transport protein 4 intracellular loop ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30793391 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bafaro Elizabeth M. . 2 Maciejewski Mark W. . 3 Hoch Jeffrey C. . 4 Dempski Robert E. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 28 _Journal_issue 5 _Journal_ISSN 1469-896X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 868 _Page_last 880 _Year 2019 _Details . loop_ _Keyword NMR hZIP4 'intracellular loop' 'intrinsically disordered protein' 'protein structure' transporter zinc 'zinc sensing' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hZIP4 ICL2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hZIP4 ICL2' $hZIP4_ICL2 stop_ _System_molecular_weight 10950 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hZIP4_ICL2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hZIP4_ICL2 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'zinc sensing' 'zinc transport' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GDRGPEFELGTLPRDPEDLE DGPCGHSSHSHGGHSHGVSL QLAPSELRQPKPPHEGSRAD LVAEESPELLNPEPRRLSPE LRLLPYGHGLSAWSHPQFEK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 413 GLY 2 414 ASP 3 415 ARG 4 416 GLY 5 417 PRO 6 418 GLU 7 419 PHE 8 420 GLU 9 421 LEU 10 422 GLY 11 423 THR 12 424 LEU 13 425 PRO 14 426 ARG 15 427 ASP 16 428 PRO 17 429 GLU 18 430 ASP 19 431 LEU 20 432 GLU 21 433 ASP 22 434 GLY 23 435 PRO 24 436 CYS 25 437 GLY 26 438 HIS 27 439 SER 28 440 SER 29 441 HIS 30 442 SER 31 443 HIS 32 444 GLY 33 445 GLY 34 446 HIS 35 447 SER 36 448 HIS 37 449 GLY 38 450 VAL 39 451 SER 40 452 LEU 41 453 GLN 42 454 LEU 43 455 ALA 44 456 PRO 45 457 SER 46 458 GLU 47 459 LEU 48 460 ARG 49 461 GLN 50 462 PRO 51 463 LYS 52 464 PRO 53 465 PRO 54 466 HIS 55 467 GLU 56 468 GLY 57 469 SER 58 470 ARG 59 471 ALA 60 472 ASP 61 473 LEU 62 474 VAL 63 475 ALA 64 476 GLU 65 477 GLU 66 478 SER 67 479 PRO 68 480 GLU 69 481 LEU 70 482 LEU 71 483 ASN 72 484 PRO 73 485 GLU 74 486 PRO 75 487 ARG 76 488 ARG 77 489 LEU 78 490 SER 79 491 PRO 80 492 GLU 81 493 LEU 82 494 ARG 83 495 LEU 84 496 LEU 85 497 PRO 86 498 TYR 87 499 GLY 88 500 HIS 89 501 GLY 90 502 LEU 91 503 SER 92 504 ALA 93 505 TRP 94 506 SER 95 507 HIS 96 508 PRO 97 509 GLN 98 510 PHE 99 511 GLU 100 512 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hZIP4_ICL2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $hZIP4_ICL2 'recombinant technology' . Escherichia coli . pPRIBA 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 $hZIP4_ICL2 0.3 mM '[U-100% 13C; U-100% 15N]' HEPES 20 mM 'natural abundance' glycerol 20 '% v/v' 'natural abundance' TCEP 5 mM 'natural abundance' 'sodium azide' 0.02 '% w/v' 'natural abundance' D2O 7 '% v/v' '[U-100% 2H]' H2O 73 '% v/v' 'natural abundance' 'protease inhibitors (Roche)' 1 tablet/10mL 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hZIP4_ICL2 0.3 mM '[U-100% 13C; U-100% 15N]' HEPES 20 mM 'natural abundance' glycerol 20 '% v/v' [U-2H] TCEP 5 mM 'natural abundance' 'sodium azide' 0.02 '% w/v' 'natural abundance' D2O 7 '% v/v' '[U-100% 2H]' 'protease inhibitors (Roche)' 1 tablet/10mL 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hZIP4_ICL2 0.3 mM '[U-100% 15N]' HEPES 20 mM 'natural abundance' glycerol 20 '% v/v' 'natural abundance' TCEP 5 mM 'natural abundance' 'sodium azide' 0.02 '% w/v' 'natural abundance' D2O 7 '% v/v' '[U-100% 2H]' H2O 73 '% v/v' 'natural abundance' 'protease inhibitors (Roche)' 1 tablet/10mL 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_RNMRTK _Saveframe_category software _Name RNMRTK _Version v3 loop_ _Vendor _Address _Electronic_address 'Alan Stern' . . 'Jeffrey Hoch' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _Field_strength 800 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_T1_relaxation_800_14 _Saveframe_category NMR_applied_experiment _Experiment_name T1_relaxation_800 _Sample_label $sample_3 save_ save_T2_relaxation_800_15 _Saveframe_category NMR_applied_experiment _Experiment_name T2_relaxation_800 _Sample_label $sample_3 save_ save_HetNOE_relaxation_800_16 _Saveframe_category NMR_applied_experiment _Experiment_name HetNOE_relaxation_800 _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 283 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external indirect . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 HNCO' '3D HN(CA)CO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D C(CO)NH-TOCSY' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'hZIP4 ICL2' _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 1 414 2 ASP HA H 4.594 0.003 1 2 414 2 ASP HB2 H 2.632 0.007 2 3 414 2 ASP HB3 H 2.582 0.012 2 4 414 2 ASP C C 176.127 . 1 5 414 2 ASP CA C 54.413 0.073 1 6 414 2 ASP CB C 41.43 0.02 1 7 415 3 ARG H H 8.361 0.002 1 8 415 3 ARG HA H 4.291 0.004 1 9 415 3 ARG HB2 H 2.317 . 2 10 415 3 ARG C C 176.246 0.024 1 11 415 3 ARG CA C 55.916 0.008 1 12 415 3 ARG CB C 30.991 0.031 1 13 415 3 ARG CG C 26.899 . 1 14 415 3 ARG N N 120.422 0.009 1 15 416 4 GLY H H 8.232 0.002 1 16 416 4 GLY C C 172.093 . 1 17 416 4 GLY CA C 44.628 . 1 18 416 4 GLY N N 109.9 0.01 1 19 417 5 PRO HA H 4.304 0.006 1 20 417 5 PRO HB2 H 1.761 0.022 2 21 417 5 PRO HB3 H 2.183 0.025 2 22 417 5 PRO HD2 H 3.661 0.007 2 23 417 5 PRO C C 177.316 0.012 1 24 417 5 PRO CA C 63.658 0.011 1 25 417 5 PRO CB C 32.009 0.045 1 26 417 5 PRO CG C 27.213 . 1 27 417 5 PRO CD C 49.834 0.059 1 28 418 6 GLU H H 8.72 0.001 1 29 418 6 GLU HA H 4.119 0.015 1 30 418 6 GLU HB2 H 1.814 0.013 2 31 418 6 GLU HB3 H 1.867 0.009 2 32 418 6 GLU HG2 H 2.022 0.012 2 33 418 6 GLU HG3 H 2.143 0.006 2 34 418 6 GLU C C 176.352 0.011 1 35 418 6 GLU CA C 57.173 0.052 1 36 418 6 GLU CB C 29.536 0.027 1 37 418 6 GLU CG C 36.208 0.03 1 38 418 6 GLU N N 120.112 0.008 1 39 419 7 PHE H H 7.884 0.002 1 40 419 7 PHE HA H 4.529 0.016 1 41 419 7 PHE HB2 H 3.126 0.019 2 42 419 7 PHE HB3 H 2.94 0.017 2 43 419 7 PHE C C 175.652 0.011 1 44 419 7 PHE CA C 57.894 0.086 1 45 419 7 PHE CB C 39.747 0.03 1 46 419 7 PHE N N 119.421 0.004 1 47 420 8 GLU H H 8.1 0.001 1 48 420 8 GLU HA H 4.236 0.013 1 49 420 8 GLU HB2 H 1.873 0.02 2 50 420 8 GLU HB3 H 2.006 0.024 2 51 420 8 GLU HG2 H 2.204 0.007 2 52 420 8 GLU C C 176.235 0.01 1 53 420 8 GLU CA C 56.498 0.039 1 54 420 8 GLU CB C 30.338 0.039 1 55 420 8 GLU CG C 36.306 0.054 1 56 420 8 GLU N N 121.594 0.007 1 57 421 9 LEU H H 8.118 0.002 1 58 421 9 LEU HA H 4.253 0.041 1 59 421 9 LEU HB2 H 1.575 0.009 2 60 421 9 LEU C C 177.903 0.011 1 61 421 9 LEU CA C 55.57 0.017 1 62 421 9 LEU CB C 42.334 0.011 1 63 421 9 LEU CG C 26.95 . 1 64 421 9 LEU CD1 C 24.978 . 2 65 421 9 LEU CD2 C 23.544 . 2 66 421 9 LEU N N 122.696 0.009 1 67 422 10 GLY H H 8.306 0.004 1 68 422 10 GLY HA2 H 3.917 0.004 2 69 422 10 GLY C C 174.173 0.014 1 70 422 10 GLY CA C 45.326 0.045 1 71 422 10 GLY N N 108.931 0.005 1 72 423 11 THR H H 7.836 0.002 1 73 423 11 THR HA H 4.302 0.02 1 74 423 11 THR HB H 4.153 0.013 1 75 423 11 THR C C 174.212 0.019 1 76 423 11 THR CA C 61.568 0.047 1 77 423 11 THR CB C 69.808 0.047 1 78 423 11 THR CG2 C 21.709 0.016 1 79 423 11 THR N N 113.071 0.013 1 80 424 12 LEU H H 8.093 0.002 1 81 424 12 LEU HA H 4.59 0.005 1 82 424 12 LEU HB2 H 1.656 . 2 83 424 12 LEU HB3 H 1.577 . 2 84 424 12 LEU HG H 1.528 . 1 85 424 12 LEU C C 174.974 . 1 86 424 12 LEU CA C 52.955 0.052 1 87 424 12 LEU CB C 41.824 . 1 88 424 12 LEU N N 125.621 0.007 1 89 425 13 PRO HA H 4.315 0.006 1 90 425 13 PRO HB2 H 2.169 . 2 91 425 13 PRO HB3 H 1.808 . 2 92 425 13 PRO HD2 H 3.714 0.002 2 93 425 13 PRO C C 176.368 0.003 1 94 425 13 PRO CA C 62.856 0.02 1 95 425 13 PRO CB C 31.96 . 1 96 425 13 PRO CG C 27.357 . 1 97 425 13 PRO CD C 50.436 0.022 1 98 426 14 ARG H H 8.212 0.002 1 99 426 14 ARG HA H 4.246 0.002 1 100 426 14 ARG HB2 H 1.683 . 2 101 426 14 ARG C C 175.719 0.011 1 102 426 14 ARG CA C 55.495 0.013 1 103 426 14 ARG CB C 31.433 0.048 1 104 426 14 ARG CG C 26.949 . 1 105 426 14 ARG CD C 43.332 . 1 106 426 14 ARG N N 121.211 0.014 1 107 427 15 ASP H H 8.455 0.002 1 108 427 15 ASP HA H 4.813 0.003 1 109 427 15 ASP HB2 H 2.488 0.006 2 110 427 15 ASP HB3 H 2.746 0.004 2 111 427 15 ASP C C 174.812 . 1 112 427 15 ASP CA C 52.528 0.013 1 113 427 15 ASP CB C 41.106 0.027 1 114 427 15 ASP N N 123.777 0.008 1 115 428 16 PRO HA H 4.267 0.005 1 116 428 16 PRO HB2 H 2.201 0.016 2 117 428 16 PRO HB3 H 1.858 0.01 2 118 428 16 PRO HD2 H 3.847 0.003 2 119 428 16 PRO C C 177.196 0.013 1 120 428 16 PRO CA C 63.807 0.025 1 121 428 16 PRO CB C 32.088 0.027 1 122 428 16 PRO CG C 27.392 . 1 123 428 16 PRO CD C 50.721 0.017 1 124 429 17 GLU H H 8.513 0.002 1 125 429 17 GLU HA H 4.198 0.031 1 126 429 17 GLU HB2 H 1.982 . 2 127 429 17 GLU HB3 H 1.845 . 2 128 429 17 GLU C C 176.218 0.012 1 129 429 17 GLU CA C 56.718 0.06 1 130 429 17 GLU CB C 29.994 0.019 1 131 429 17 GLU CG C 36.547 . 1 132 429 17 GLU N N 118.988 0.02 1 133 430 18 ASP H H 8.063 0.002 1 134 430 18 ASP HA H 4.586 0.017 1 135 430 18 ASP HB2 H 2.726 0.032 2 136 430 18 ASP HB3 H 2.598 0.02 2 137 430 18 ASP C C 176.012 0.01 1 138 430 18 ASP CA C 54.161 0.018 1 139 430 18 ASP CB C 41.141 0.038 1 140 430 18 ASP N N 120.431 0.008 1 141 431 19 LEU H H 7.967 0.002 1 142 431 19 LEU HA H 4.287 0.024 1 143 431 19 LEU HB2 H 1.561 0.044 2 144 431 19 LEU HG H 1.56 . 1 145 431 19 LEU C C 177.495 0.013 1 146 431 19 LEU CA C 55.055 0.03 1 147 431 19 LEU CB C 42.436 0.027 1 148 431 19 LEU CG C 26.827 . 1 149 431 19 LEU CD1 C 25.115 . 2 150 431 19 LEU CD2 C 23.354 . 2 151 431 19 LEU N N 122.16 0.018 1 152 432 20 GLU H H 8.282 0.002 1 153 432 20 GLU HA H 4.232 0.025 1 154 432 20 GLU HB2 H 1.918 . 2 155 432 20 GLU C C 176.048 0.012 1 156 432 20 GLU CA C 56.669 0.101 1 157 432 20 GLU CB C 30.225 0.018 1 158 432 20 GLU CG C 36.221 . 1 159 432 20 GLU N N 120.901 0.007 1 160 433 21 ASP H H 8.237 0.003 1 161 433 21 ASP HA H 4.638 0.018 1 162 433 21 ASP HB2 H 2.6 0.011 2 163 433 21 ASP HB3 H 2.651 0.015 2 164 433 21 ASP C C 176.192 0.012 1 165 433 21 ASP CA C 54.046 0.035 1 166 433 21 ASP CB C 41.391 0.04 1 167 433 21 ASP N N 120.667 0.023 1 168 434 22 GLY H H 7.969 0.002 1 169 434 22 GLY HA2 H 4.06 0.005 2 170 434 22 GLY C C 172.278 . 1 171 434 22 GLY CA C 44.875 0.033 1 172 434 22 GLY N N 108.462 0.008 1 173 435 23 PRO HA H 4.367 0.015 1 174 435 23 PRO HB2 H 2.268 0.024 2 175 435 23 PRO HB3 H 1.924 0.022 2 176 435 23 PRO HG2 H 1.953 0.033 2 177 435 23 PRO HD2 H 3.593 0.005 2 178 435 23 PRO HD3 H 3.768 . 2 179 435 23 PRO C C 177.369 0.012 1 180 435 23 PRO CA C 63.702 0.042 1 181 435 23 PRO CB C 32.051 0.031 1 182 435 23 PRO CG C 27.202 . 1 183 435 23 PRO CD C 49.803 0.031 1 184 436 24 CYS H H 8.418 0.001 1 185 436 24 CYS HA H 4.422 0.013 1 186 436 24 CYS HB2 H 2.844 0.006 2 187 436 24 CYS HB3 H 2.948 0.007 2 188 436 24 CYS C C 175.165 0.017 1 189 436 24 CYS CA C 58.69 0.052 1 190 436 24 CYS CB C 27.669 0.062 1 191 436 24 CYS N N 117.978 0.007 1 192 437 25 GLY H H 8.197 0.002 1 193 437 25 GLY HA2 H 3.863 0.011 2 194 437 25 GLY C C 173.998 0.02 1 195 437 25 GLY CA C 45.365 0.142 1 196 437 25 GLY N N 110.219 0.01 1 197 438 26 HIS H H 8.184 0.015 1 198 438 26 HIS C C 175.3 . 1 199 438 26 HIS CA C 56.164 . 1 200 438 26 HIS CB C 30.312 . 1 201 438 26 HIS N N 119.066 0.131 1 202 444 32 GLY H H 8.262 0.002 1 203 444 32 GLY N N 108.63 0.018 1 204 449 37 GLY HA2 H 3.888 0.017 2 205 449 37 GLY C C 173.935 0.009 1 206 449 37 GLY CA C 45.239 0.076 1 207 450 38 VAL H H 7.922 0.002 1 208 450 38 VAL HA H 4.136 0.023 1 209 450 38 VAL HB H 2.046 0.018 1 210 450 38 VAL C C 176.056 0.011 1 211 450 38 VAL CA C 62.067 0.045 1 212 450 38 VAL CB C 32.853 0.06 1 213 450 38 VAL CG1 C 21.192 0.06 2 214 450 38 VAL CG2 C 20.478 0.052 2 215 450 38 VAL N N 119.048 0.007 1 216 451 39 SER H H 8.297 0.001 1 217 451 39 SER HA H 4.373 0.004 1 218 451 39 SER HB2 H 3.768 0.009 2 219 451 39 SER C C 174.371 0.01 1 220 451 39 SER CA C 58.148 0.035 1 221 451 39 SER CB C 63.68 0.072 1 222 451 39 SER N N 119.217 0.009 1 223 452 40 LEU H H 8.193 0.002 1 224 452 40 LEU HA H 4.301 0.018 1 225 452 40 LEU HB2 H 1.523 0.022 2 226 452 40 LEU HB3 H 1.566 0.003 2 227 452 40 LEU HG H 1.574 0.002 1 228 452 40 LEU C C 176.931 0.011 1 229 452 40 LEU CA C 55.11 0.047 1 230 452 40 LEU CB C 42.333 0.061 1 231 452 40 LEU CG C 27.054 0.045 1 232 452 40 LEU CD1 C 24.995 0.081 2 233 452 40 LEU CD2 C 23.491 0.016 2 234 452 40 LEU N N 124.399 0.006 1 235 453 41 GLN H H 8.221 0.002 1 236 453 41 GLN HA H 4.284 0.02 1 237 453 41 GLN HB2 H 1.881 0.046 2 238 453 41 GLN HB3 H 2.014 0.051 2 239 453 41 GLN HG2 H 2.288 0.04 2 240 453 41 GLN HG3 H 2.288 0.04 2 241 453 41 GLN C C 175.426 0.011 1 242 453 41 GLN CA C 55.583 0.106 1 243 453 41 GLN CB C 29.403 0.118 1 244 453 41 GLN CG C 33.766 0.039 1 245 453 41 GLN N N 120.819 0.013 1 246 454 42 LEU H H 8.06 0.001 1 247 454 42 LEU HA H 4.327 0.023 1 248 454 42 LEU HB2 H 1.534 0.019 2 249 454 42 LEU C C 176.501 0.01 1 250 454 42 LEU CA C 54.582 0.049 1 251 454 42 LEU CB C 42.451 0.113 1 252 454 42 LEU CG C 26.903 . 1 253 454 42 LEU CD1 C 25.089 . 2 254 454 42 LEU CD2 C 23.41 . 2 255 454 42 LEU N N 123.362 0.007 1 256 455 43 ALA H H 8.268 0.002 1 257 455 43 ALA HA H 4.555 0.002 1 258 455 43 ALA C C 175.53 . 1 259 455 43 ALA CA C 50.373 0.017 1 260 455 43 ALA CB C 18.163 0.018 1 261 455 43 ALA N N 125.786 0.006 1 262 456 44 PRO HA H 4.356 0.013 1 263 456 44 PRO HB2 H 2.293 0.02 2 264 456 44 PRO HB3 H 1.847 0.006 2 265 456 44 PRO HG2 H 1.991 0.002 2 266 456 44 PRO HD2 H 3.584 0.011 2 267 456 44 PRO HD3 H 3.8 0.001 2 268 456 44 PRO C C 177.299 0.013 1 269 456 44 PRO CA C 63.602 0.091 1 270 456 44 PRO CB C 32.018 0.034 1 271 456 44 PRO CG C 27.422 0.072 1 272 456 44 PRO CD C 50.527 0.049 1 273 457 45 SER H H 8.224 0.002 1 274 457 45 SER HA H 4.279 0.015 1 275 457 45 SER HB2 H 3.809 0.007 2 276 457 45 SER HB3 H 3.889 0.011 2 277 457 45 SER C C 174.912 0.008 1 278 457 45 SER CA C 58.993 0.039 1 279 457 45 SER CB C 63.503 0.138 1 280 457 45 SER N N 114.78 0.011 1 281 458 46 GLU H H 8.355 0.003 1 282 458 46 GLU HA H 4.257 0.017 1 283 458 46 GLU HB2 H 1.965 0.015 2 284 458 46 GLU HB3 H 2.059 0.003 2 285 458 46 GLU HG2 H 2.204 0.021 2 286 458 46 GLU C C 176.26 0.015 1 287 458 46 GLU CA C 56.661 0.101 1 288 458 46 GLU CB C 30.172 0.065 1 289 458 46 GLU CG C 36.331 0.049 1 290 458 46 GLU N N 122.141 0.013 1 291 459 47 LEU H H 7.951 0.003 1 292 459 47 LEU HA H 4.249 0.005 1 293 459 47 LEU HB2 H 1.572 0.021 2 294 459 47 LEU C C 177.032 0.016 1 295 459 47 LEU CA C 55.116 0.015 1 296 459 47 LEU CB C 42.005 0.187 1 297 459 47 LEU CG C 26.969 . 1 298 459 47 LEU CD1 C 23.586 . 2 299 459 47 LEU CD2 C 24.946 . 2 300 459 47 LEU N N 121.969 0.016 1 301 460 48 ARG H H 8.085 0.003 1 302 460 48 ARG HA H 4.302 0.015 1 303 460 48 ARG HB2 H 1.716 0.01 2 304 460 48 ARG HB3 H 1.802 0.006 2 305 460 48 ARG HG2 H 1.568 0.012 2 306 460 48 ARG HD2 H 3.144 0.006 2 307 460 48 ARG C C 175.725 0.023 1 308 460 48 ARG CA C 55.978 . 1 309 460 48 ARG CB C 30.702 0.067 1 310 460 48 ARG CG C 27.118 0.07 1 311 460 48 ARG CD C 43.181 0.07 1 312 460 48 ARG N N 121.339 0.02 1 313 461 49 GLN H H 8.191 0.005 1 314 461 49 GLN HA H 4.584 0.004 1 315 461 49 GLN HB2 H 2.065 0.007 2 316 461 49 GLN HB3 H 1.896 0.003 2 317 461 49 GLN HG2 H 2.354 0.003 2 318 461 49 GLN HG3 H 2.354 0.003 2 319 461 49 GLN C C 173.712 . 1 320 461 49 GLN CA C 53.474 0.072 1 321 461 49 GLN CB C 29.042 0.073 1 322 461 49 GLN CG C 33.442 0.02 1 323 461 49 GLN N N 122.057 0.013 1 324 462 50 PRO HA H 4.343 0.006 1 325 462 50 PRO HB2 H 1.798 . 2 326 462 50 PRO HB3 H 2.184 . 2 327 462 50 PRO C C 176.382 0.012 1 328 462 50 PRO CA C 62.921 0.039 1 329 462 50 PRO CB C 32.062 0.007 1 330 462 50 PRO CG C 27.318 . 1 331 462 50 PRO CD C 50.577 . 1 332 463 51 LYS H H 8.27 0.003 1 333 463 51 LYS HE2 H 3.153 0.002 2 334 463 51 LYS C C 174.021 . 1 335 463 51 LYS CA C 53.934 . 1 336 463 51 LYS CB C 32.523 . 1 337 463 51 LYS CE C 43.248 0.014 1 338 463 51 LYS N N 122.541 0.01 1 339 465 53 PRO HA H 4.359 0.017 1 340 465 53 PRO HB2 H 1.84 0.015 2 341 465 53 PRO HB3 H 2.228 0.014 2 342 465 53 PRO HG2 H 1.987 0.005 2 343 465 53 PRO HD2 H 3.628 0.009 2 344 465 53 PRO HD3 H 3.774 0.013 2 345 465 53 PRO C C 176.622 0.008 1 346 465 53 PRO CA C 63.187 0.068 1 347 465 53 PRO CB C 32.009 0.042 1 348 465 53 PRO CG C 27.336 0.036 1 349 465 53 PRO CD C 50.475 0.096 1 350 466 54 HIS H H 8.121 0.001 1 351 466 54 HIS HA H 4.561 0.015 1 352 466 54 HIS HB2 H 3.091 0.022 2 353 466 54 HIS HB3 H 3.172 0.003 2 354 466 54 HIS C C 175.222 0.013 1 355 466 54 HIS CA C 56.057 0.06 1 356 466 54 HIS CB C 30.464 0.118 1 357 466 54 HIS N N 118.162 0.009 1 358 467 55 GLU H H 8.239 0.002 1 359 467 55 GLU HA H 4.191 0.005 1 360 467 55 GLU HB2 H 1.872 . 2 361 467 55 GLU C C 176.67 0.009 1 362 467 55 GLU CA C 56.725 0.014 1 363 467 55 GLU CB C 30.284 0.016 1 364 467 55 GLU CG C 36.16 . 1 365 467 55 GLU N N 122.586 0.022 1 366 468 56 GLY H H 8.385 0.001 1 367 468 56 GLY HA2 H 3.933 0.014 2 368 468 56 GLY C C 174.04 0.011 1 369 468 56 GLY CA C 45.204 0.057 1 370 468 56 GLY N N 110.189 0.007 1 371 469 57 SER H H 8.145 0.001 1 372 469 57 SER HA H 4.379 0.005 1 373 469 57 SER HB2 H 3.777 0.008 2 374 469 57 SER C C 174.587 0.012 1 375 469 57 SER CA C 58.311 0.043 1 376 469 57 SER CB C 63.723 0.128 1 377 469 57 SER N N 115.49 0.006 1 378 470 58 ARG H H 8.329 0.002 1 379 470 58 ARG HA H 4.317 0.016 1 380 470 58 ARG HB2 H 1.73 0.015 2 381 470 58 ARG HB3 H 1.886 0.028 2 382 470 58 ARG HG2 H 1.6 0.004 2 383 470 58 ARG HD2 H 3.158 0.006 2 384 470 58 ARG C C 176.156 0.011 1 385 470 58 ARG CA C 56.056 0.034 1 386 470 58 ARG CB C 30.789 0.039 1 387 470 58 ARG CG C 27.084 0.072 1 388 470 58 ARG CD C 43.218 0.045 1 389 470 58 ARG N N 122.794 0.011 1 390 471 59 ALA H H 8.286 0.002 1 391 471 59 ALA HA H 4.235 0.016 1 392 471 59 ALA C C 177.297 0.011 1 393 471 59 ALA CA C 52.815 0.041 1 394 471 59 ALA CB C 19.213 0.044 1 395 471 59 ALA N N 124.735 0.011 1 396 472 60 ASP H H 8.21 0.002 1 397 472 60 ASP HA H 4.51 0.01 1 398 472 60 ASP HB2 H 2.605 0.015 2 399 472 60 ASP HB3 H 2.645 0.008 2 400 472 60 ASP C C 175.869 0.011 1 401 472 60 ASP CA C 54.332 0.14 1 402 472 60 ASP CB C 40.769 0.044 1 403 472 60 ASP N N 117.911 0.004 1 404 473 61 LEU H H 7.809 0.001 1 405 473 61 LEU HA H 4.316 0.031 1 406 473 61 LEU HB2 H 1.627 0.039 2 407 473 61 LEU C C 177.064 0.015 1 408 473 61 LEU CA C 55.084 0.069 1 409 473 61 LEU CB C 42.233 0.119 1 410 473 61 LEU CG C 26.849 . 1 411 473 61 LEU CD1 C 25.049 . 2 412 473 61 LEU CD2 C 23.509 . 2 413 473 61 LEU N N 121.244 0.004 1 414 474 62 VAL H H 7.953 0.002 1 415 474 62 VAL HA H 4.052 0.017 1 416 474 62 VAL HB H 2.037 0.023 1 417 474 62 VAL C C 175.715 0.011 1 418 474 62 VAL CA C 62.171 0.035 1 419 474 62 VAL CB C 32.68 0.049 1 420 474 62 VAL CG1 C 20.722 0.066 2 421 474 62 VAL CG2 C 21.047 0.061 2 422 474 62 VAL N N 120.773 0.007 1 423 475 63 ALA H H 8.213 0.002 1 424 475 63 ALA HA H 4.27 0.016 1 425 475 63 ALA C C 177.431 0.011 1 426 475 63 ALA CA C 52.439 0.029 1 427 475 63 ALA CB C 19.299 0.044 1 428 475 63 ALA N N 127.473 0.009 1 429 476 64 GLU H H 8.237 0.002 1 430 476 64 GLU HA H 4.214 0.022 1 431 476 64 GLU HB2 H 1.897 0.006 2 432 476 64 GLU C C 176.253 0.013 1 433 476 64 GLU CA C 56.561 0.02 1 434 476 64 GLU CB C 30.415 0.05 1 435 476 64 GLU CG C 36.343 . 1 436 476 64 GLU N N 119.866 0.007 1 437 477 65 GLU H H 8.276 0.002 1 438 477 65 GLU HA H 4.231 0.004 1 439 477 65 GLU HB2 H 1.901 . 2 440 477 65 GLU C C 175.985 0.009 1 441 477 65 GLU CA C 56.258 0.082 1 442 477 65 GLU CB C 30.555 0.018 1 443 477 65 GLU CG C 36.294 . 1 444 477 65 GLU N N 121.445 0.013 1 445 478 66 SER H H 8.266 0.002 1 446 478 66 SER C C 173.194 . 1 447 478 66 SER CB C 63.54 . 1 448 478 66 SER N N 117.574 0.011 1 449 479 67 PRO HA H 4.388 0.025 1 450 479 67 PRO HB2 H 1.91 0.028 2 451 479 67 PRO HB3 H 2.232 0.008 2 452 479 67 PRO HG2 H 1.978 . 2 453 479 67 PRO HD2 H 3.769 0.005 2 454 479 67 PRO C C 177.179 0.009 1 455 479 67 PRO CA C 63.732 0.045 1 456 479 67 PRO CB C 32 0.031 1 457 479 67 PRO CG C 27.279 0.006 1 458 479 67 PRO CD C 50.735 0.046 1 459 480 68 GLU H H 8.478 0.005 1 460 480 68 GLU HA H 4.173 0.015 1 461 480 68 GLU HB2 H 1.904 0.007 2 462 480 68 GLU HB3 H 1.998 0.007 2 463 480 68 GLU HG2 H 2.241 0.011 2 464 480 68 GLU C C 176.528 0.01 1 465 480 68 GLU CA C 57.084 0.04 1 466 480 68 GLU CB C 29.729 0.089 1 467 480 68 GLU CG C 36.328 0.066 1 468 480 68 GLU N N 119.63 0.011 1 469 481 69 LEU H H 7.898 0.001 1 470 481 69 LEU HA H 4.235 0.004 1 471 481 69 LEU HB2 H 1.536 . 2 472 481 69 LEU C C 176.987 0.012 1 473 481 69 LEU CA C 55.09 0.017 1 474 481 69 LEU CB C 42.171 0.073 1 475 481 69 LEU CG C 26 . 1 476 481 69 LEU CD1 C 25.029 . 2 477 481 69 LEU CD2 C 23.425 . 2 478 481 69 LEU N N 121.762 0.015 1 479 482 70 LEU H H 7.871 0.003 1 480 482 70 LEU HA H 4.264 0.028 1 481 482 70 LEU HB2 H 1.603 0.039 2 482 482 70 LEU C C 176.584 0.013 1 483 482 70 LEU CA C 55.037 0.006 1 484 482 70 LEU CB C 42.358 0.017 1 485 482 70 LEU CG C 26.923 . 1 486 482 70 LEU CD1 C 24.918 . 2 487 482 70 LEU CD2 C 23.41 . 2 488 482 70 LEU N N 121.411 0.014 1 489 483 71 ASN H H 8.142 0.002 1 490 483 71 ASN HA H 4.918 0.003 1 491 483 71 ASN HB2 H 2.774 0.004 2 492 483 71 ASN HB3 H 2.635 0.003 2 493 483 71 ASN C C 172.88 . 1 494 483 71 ASN CA C 51.175 0.013 1 495 483 71 ASN CB C 39.027 0.028 1 496 483 71 ASN N N 119.415 0.015 1 497 484 72 PRO HA H 4.343 0.006 1 498 484 72 PRO HB2 H 2.144 . 2 499 484 72 PRO HB3 H 1.857 . 2 500 484 72 PRO C C 176.582 0.012 1 501 484 72 PRO CA C 63.204 0.033 1 502 484 72 PRO CB C 32.098 0.027 1 503 484 72 PRO CG C 27.069 . 1 504 484 72 PRO CD C 50.509 . 1 505 485 73 GLU H H 8.226 0.002 1 506 485 73 GLU HB2 H 2.186 . 2 507 485 73 GLU C C 174.433 . 1 508 485 73 GLU CA C 54.57 . 1 509 485 73 GLU CB C 29.822 . 1 510 485 73 GLU N N 121.774 0.006 1 511 486 74 PRO HA H 4.295 0.009 1 512 486 74 PRO HB2 H 1.782 . 2 513 486 74 PRO C C 176.93 0.011 1 514 486 74 PRO CA C 63.419 0.024 1 515 486 74 PRO CB C 31.96 0.008 1 516 486 74 PRO CG C 27.402 . 1 517 486 74 PRO CD C 50.55 . 1 518 487 75 ARG H H 8.286 0.002 1 519 487 75 ARG C C 176.164 0.012 1 520 487 75 ARG CA C 56.127 . 1 521 487 75 ARG CB C 30.614 . 1 522 487 75 ARG N N 120.261 0.014 1 523 488 76 ARG H H 8.204 0.001 1 524 488 76 ARG HA H 4.288 0.034 1 525 488 76 ARG HB2 H 1.705 . 2 526 488 76 ARG C C 175.897 0.014 1 527 488 76 ARG CA C 55.828 0.116 1 528 488 76 ARG CB C 30.798 0.019 1 529 488 76 ARG CG C 27.267 . 1 530 488 76 ARG CD C 43.353 . 1 531 488 76 ARG N N 122.028 0.006 1 532 489 77 LEU H H 8.175 0.002 1 533 489 77 LEU HA H 4.362 0.02 1 534 489 77 LEU HB2 H 1.543 0.011 2 535 489 77 LEU C C 176.794 0.011 1 536 489 77 LEU CA C 54.683 0.056 1 537 489 77 LEU CB C 42.085 0.336 1 538 489 77 LEU CG C 26.921 . 1 539 489 77 LEU CD1 C 25.057 . 2 540 489 77 LEU CD2 C 23.41 . 2 541 489 77 LEU N N 123.121 0.012 1 542 490 78 SER H H 8.115 0.002 1 543 490 78 SER C C 173.17 . 1 544 490 78 SER CA C 56.334 . 1 545 490 78 SER CB C 63.346 . 1 546 490 78 SER N N 117.605 0.008 1 547 491 79 PRO HA H 4.31 0.018 1 548 491 79 PRO HB2 H 2.232 0.014 2 549 491 79 PRO HB3 H 1.852 . 2 550 491 79 PRO C C 177.135 . 1 551 491 79 PRO CA C 63.931 0.057 1 552 491 79 PRO CB C 32.032 0.026 1 553 491 79 PRO CG C 27.398 . 1 554 491 79 PRO CD C 50.664 . 1 555 492 80 GLU H H 8.528 0.003 1 556 492 80 GLU HA H 4.199 0.027 1 557 492 80 GLU HB2 H 1.897 0.01 2 558 492 80 GLU HB3 H 2.023 . 2 559 492 80 GLU HG2 H 2.227 . 2 560 492 80 GLU C C 176.553 0.011 1 561 492 80 GLU CA C 56.784 0.17 1 562 492 80 GLU CB C 29.733 0.067 1 563 492 80 GLU CG C 36.257 0.008 1 564 492 80 GLU N N 119.161 0.031 1 565 493 81 LEU H H 7.914 0.003 1 566 493 81 LEU HA H 4.249 0.033 1 567 493 81 LEU HB2 H 1.538 . 2 568 493 81 LEU C C 177.118 0.016 1 569 493 81 LEU CA C 55.302 0.061 1 570 493 81 LEU CB C 42.114 0.022 1 571 493 81 LEU CG C 27.02 . 1 572 493 81 LEU CD1 C 25.09 . 2 573 493 81 LEU CD2 C 23.423 . 2 574 493 81 LEU N N 122.123 0.023 1 575 494 82 ARG H H 8.021 0.002 1 576 494 82 ARG HA H 4.217 0.005 1 577 494 82 ARG HB2 H 1.691 . 2 578 494 82 ARG C C 175.649 0.01 1 579 494 82 ARG CA C 56.129 0.012 1 580 494 82 ARG CB C 30.712 0.008 1 581 494 82 ARG CG C 27.202 . 1 582 494 82 ARG CD C 43.393 . 1 583 494 82 ARG N N 120.586 0.016 1 584 495 83 LEU H H 7.97 0.002 1 585 495 83 LEU HA H 4.278 . 1 586 495 83 LEU HB2 H 1.342 0.035 2 587 495 83 LEU C C 176.718 0.008 1 588 495 83 LEU CA C 54.762 0.042 1 589 495 83 LEU CB C 41.93 0.143 1 590 495 83 LEU CG C 26.937 . 1 591 495 83 LEU CD1 C 25.023 . 2 592 495 83 LEU CD2 C 23.394 . 2 593 495 83 LEU N N 121.688 0.025 1 594 496 84 LEU H H 7.957 0.003 1 595 496 84 LEU HA H 4.541 0.006 1 596 496 84 LEU HB2 H 1.545 . 2 597 496 84 LEU HG H 1.33 . 1 598 496 84 LEU C C 175.139 . 1 599 496 84 LEU CA C 52.796 0.01 1 600 496 84 LEU N N 123.554 0.011 1 601 497 85 PRO HA H 4.373 0.035 1 602 497 85 PRO HB2 H 2.067 0.001 2 603 497 85 PRO HB3 H 1.655 0.002 2 604 497 85 PRO C C 176.288 . 1 605 497 85 PRO CA C 63.026 0.048 1 606 497 85 PRO CB C 31.649 0.031 1 607 497 85 PRO CG C 27.296 . 1 608 497 85 PRO CD C 50.35 . 1 609 498 86 TYR H H 7.968 0.002 1 610 498 86 TYR HA H 4.429 0.015 1 611 498 86 TYR HB2 H 2.927 0.02 2 612 498 86 TYR C C 176.309 0.018 1 613 498 86 TYR CA C 58.16 0.086 1 614 498 86 TYR CB C 38.594 0.014 1 615 498 86 TYR N N 119.393 0.009 1 616 499 87 GLY H H 8.129 0.002 1 617 499 87 GLY HA2 H 3.834 0.009 2 618 499 87 GLY C C 173.879 0.014 1 619 499 87 GLY CA C 45.274 0.029 1 620 499 87 GLY N N 110.439 0.02 1 621 500 88 HIS H H 7.973 0.001 1 622 500 88 HIS C C 175.762 0.009 1 623 500 88 HIS CA C 56.568 . 1 624 500 88 HIS CB C 38.625 . 1 625 500 88 HIS N N 119.053 0.013 1 626 501 89 GLY H H 8.32 0.002 1 627 501 89 GLY HA2 H 3.821 . 2 628 501 89 GLY C C 174.065 0.013 1 629 501 89 GLY CA C 45.413 0.013 1 630 501 89 GLY N N 109.862 0.036 1 631 502 90 LEU H H 8.077 0.001 1 632 502 90 LEU HA H 4.337 0.023 1 633 502 90 LEU HB2 H 1.523 0.01 2 634 502 90 LEU C C 177.432 0.015 1 635 502 90 LEU CA C 55.098 0.17 1 636 502 90 LEU CB C 42.002 0.235 1 637 502 90 LEU CG C 26.898 . 1 638 502 90 LEU CD1 C 25.044 . 2 639 502 90 LEU CD2 C 23.402 0.001 2 640 502 90 LEU N N 121.36 0.003 1 641 503 91 SER H H 8.185 0.003 1 642 503 91 SER HA H 4.307 0.007 1 643 503 91 SER HB2 H 3.671 0.002 2 644 503 91 SER C C 174.292 0.01 1 645 503 91 SER CA C 58.307 0.032 1 646 503 91 SER CB C 63.852 0.031 1 647 503 91 SER N N 115.912 0.013 1 648 504 92 ALA H H 8.122 0.003 1 649 504 92 ALA HA H 4.179 0.017 1 650 504 92 ALA C C 177.148 0.011 1 651 504 92 ALA CA C 52.752 0.031 1 652 504 92 ALA CB C 19.068 0.029 1 653 504 92 ALA N N 124.971 0.01 1 654 505 93 TRP H H 7.834 0.003 1 655 505 93 TRP HA H 4.595 0.014 1 656 505 93 TRP HB2 H 3.147 0.03 2 657 505 93 TRP HB3 H 3.248 0.002 2 658 505 93 TRP C C 175.927 0.007 1 659 505 93 TRP CA C 57.129 0.058 1 660 505 93 TRP CB C 29.648 0.128 1 661 505 93 TRP N N 118.663 0.017 1 662 506 94 SER H H 7.795 0.003 1 663 506 94 SER HA H 4.304 0.024 1 664 506 94 SER HB2 H 3.647 0.027 2 665 506 94 SER HB3 H 3.626 0.008 2 666 506 94 SER C C 173.28 0.012 1 667 506 94 SER CA C 58.012 0.038 1 668 506 94 SER CB C 63.865 0.038 1 669 506 94 SER N N 116.526 0.011 1 670 507 95 HIS H H 7.993 0.003 1 671 507 95 HIS C C 173.192 . 1 672 507 95 HIS CA C 54.313 . 1 673 507 95 HIS CB C 30.188 . 1 674 507 95 HIS N N 121.789 0.013 1 675 508 96 PRO HA H 4.311 0.018 1 676 508 96 PRO HB2 H 2.172 0.013 2 677 508 96 PRO HB3 H 1.727 0.013 2 678 508 96 PRO HG2 H 1.916 0.005 2 679 508 96 PRO HG3 H 1.994 0.014 2 680 508 96 PRO HD2 H 3.385 0.005 2 681 508 96 PRO HD3 H 3.645 0.009 2 682 508 96 PRO C C 176.674 0.01 1 683 508 96 PRO CA C 63.389 0.104 1 684 508 96 PRO CB C 32.051 0.029 1 685 508 96 PRO CG C 27.393 0.045 1 686 508 96 PRO CD C 50.576 0.063 1 687 509 97 GLN H H 8.571 0.003 1 688 509 97 GLN HA H 4.218 0.021 1 689 509 97 GLN HB2 H 1.851 0.013 2 690 509 97 GLN HB3 H 1.914 0.01 2 691 509 97 GLN HG2 H 2.157 0.039 2 692 509 97 GLN HG3 H 2.169 0.008 2 693 509 97 GLN C C 175.468 0.01 1 694 509 97 GLN CA C 55.846 0.044 1 695 509 97 GLN CB C 29.403 0.09 1 696 509 97 GLN CG C 33.693 0.03 1 697 509 97 GLN N N 120.248 0.01 1 698 510 98 PHE H H 8.035 0.002 1 699 510 98 PHE HA H 4.649 0.016 1 700 510 98 PHE HB2 H 3.175 0.019 2 701 510 98 PHE HB3 H 2.953 0.017 2 702 510 98 PHE C C 175.351 0.006 1 703 510 98 PHE CA C 57.256 0.06 1 704 510 98 PHE CB C 39.733 0.027 1 705 510 98 PHE N N 120.094 0.007 1 706 511 99 GLU H H 8.22 0.002 1 707 511 99 GLU HA H 4.232 0.025 1 708 511 99 GLU HB2 H 1.886 . 2 709 511 99 GLU C C 175.024 0.01 1 710 511 99 GLU CA C 56.549 0.014 1 711 511 99 GLU CB C 30.551 0.02 1 712 511 99 GLU CG C 36.259 . 1 713 511 99 GLU N N 122.346 0.02 1 714 512 100 LYS H H 7.787 0.003 1 715 512 100 LYS HA H 4.112 0.002 1 716 512 100 LYS HB2 H 1.799 0.008 2 717 512 100 LYS HB3 H 1.685 0.008 2 718 512 100 LYS HG2 H 1.362 0.002 2 719 512 100 LYS HD2 H 1.659 0.018 2 720 512 100 LYS HE2 H 2.952 0.003 2 721 512 100 LYS C C 180.954 . 1 722 512 100 LYS CA C 57.532 0.027 1 723 512 100 LYS CB C 33.789 0.05 1 724 512 100 LYS CG C 24.684 0.035 1 725 512 100 LYS CD C 29.113 . 1 726 512 100 LYS CE C 41.974 0.008 1 727 512 100 LYS N N 126.719 0.006 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'hZIP4 ICL2' _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 1 415 3 ARG H H 8.49 . 1 2 415 3 ARG N N 120.8 . 1 3 416 4 GLY H H 8.35 . 1 4 416 4 GLY N N 110.16 . 1 5 418 6 GLU H H 8.84 . 1 6 418 6 GLU N N 120.35 . 1 7 419 7 PHE H H 7.98 . 1 8 419 7 PHE N N 119.71 . 1 9 420 8 GLU H H 8.18 . 1 10 420 8 GLU N N 121.86 . 1 11 421 9 LEU H H 8.25 . 1 12 421 9 LEU N N 123.09 . 1 13 422 10 GLY H H 8.43 . 1 14 422 10 GLY N N 109.33 . 1 15 423 11 THR H H 7.94 . 1 16 423 11 THR N N 113.37 . 1 17 424 12 LEU H H 8.24 . 1 18 424 12 LEU N N 126.02 . 1 19 426 14 ARG H H 8.36 . 1 20 426 14 ARG N N 121.65 . 1 21 427 15 ASP H H 8.62 . 1 22 427 15 ASP N N 124.27 . 1 23 429 17 GLU H H 8.6 . 1 24 429 17 GLU N N 119.05 . 1 25 430 18 ASP H H 8.14 . 1 26 430 18 ASP N N 120.74 . 1 27 431 19 LEU H H 8.1 . 1 28 431 19 LEU N N 122.55 . 1 29 432 20 GLU H H 8.39 . 1 30 432 20 GLU N N 121.15 . 1 31 433 21 ASP H H 8.35 . 1 32 433 21 ASP N N 120.88 . 1 33 434 22 GLY H H 8.06 . 1 34 434 22 GLY N N 108.68 . 1 35 436 24 CYS H H 8.55 . 1 36 436 24 CYS N N 118.45 . 1 37 437 25 GLY H H 8.3 . 1 38 437 25 GLY N N 110.59 . 1 39 438 26 HIS H H 8.27 . 1 40 438 26 HIS N N 119.4 . 1 41 439 27 SER H H 8.37 . 1 42 439 27 SER N N 117.1 . 1 43 440 28 SER H H 8.49 . 1 44 440 28 SER N N 118.04 . 1 45 441 29 HIS H H 8.42 . 1 46 441 29 HIS N N 121.48 . 1 47 442 30 SER H H 8.18 . 1 48 442 30 SER N N 116.35 . 1 49 443 31 HIS H H 8.25 . 1 50 443 31 HIS N N 120.92 . 1 51 444 32 GLY H H 8.37 . 1 52 444 32 GLY N N 108.87 . 1 53 445 33 GLY H H 8.39 . 1 54 445 33 GLY N N 109.84 . 1 55 446 34 HIS H H 8.19 . 1 56 446 34 HIS N N 119.19 . 1 57 447 35 SER H H 8.35 . 1 58 447 35 SER N N 116.99 . 1 59 448 36 HIS H H 8.47 . 1 60 448 36 HIS N N 121.57 . 1 61 449 37 GLY H H 8.391 . 1 62 449 37 GLY N N 109.84 . 1 63 450 38 VAL H H 8.03 . 1 64 450 38 VAL N N 119.42 . 1 65 451 39 SER H H 8.43 . 1 66 451 39 SER N N 119.64 . 1 67 452 40 LEU H H 8.33 . 1 68 452 40 LEU N N 124.71 . 1 69 453 41 GLN H H 8.32 . 1 70 453 41 GLN N N 121.09 . 1 71 454 42 LEU H H 8.2 . 1 72 454 42 LEU N N 123.74 . 1 73 455 43 ALA H H 8.4 . 1 74 455 43 ALA N N 126.15 . 1 75 457 45 SER H H 8.36 . 1 76 457 45 SER N N 115.2 . 1 77 458 46 GLU H H 8.46 . 1 78 458 46 GLU N N 122.49 . 1 79 459 47 LEU H H 8.07 . 1 80 459 47 LEU N N 122.33 . 1 81 460 48 ARG H H 8.22 . 1 82 460 48 ARG N N 121.75 . 1 83 461 49 GLN H H 8.34 . 1 84 461 49 GLN N N 122.5 . 1 85 463 51 LYS H H 8.43 . 1 86 463 51 LYS N N 123.04 . 1 87 466 54 HIS H H 8.24 . 1 88 466 54 HIS N N 118.73 . 1 89 467 55 GLU H H 8.33 . 1 90 467 55 GLU N N 123.02 . 1 91 468 56 GLY H H 8.49 . 1 92 468 56 GLY N N 110.5 . 1 93 469 57 SER H H 8.25 . 1 94 469 57 SER N N 115.75 . 1 95 470 58 ARG H H 8.46 . 1 96 470 58 ARG N N 123.17 . 1 97 471 59 ALA H H 8.39 . 1 98 471 59 ALA N N 124.96 . 1 99 472 60 ASP H H 8.29 . 1 100 472 60 ASP N N 118.17 . 1 101 473 61 LEU H H 7.91 . 1 102 473 61 LEU N N 121.51 . 1 103 474 62 VAL H H 8.08 . 1 104 474 62 VAL N N 121.38 . 1 105 475 63 ALA H H 8.35 . 1 106 475 63 ALA N N 127.94 . 1 107 476 64 GLU H H 8.36 . 1 108 476 64 GLU N N 120.24 . 1 109 477 65 GLU H H 8.4 . 1 110 477 65 GLU N N 121.86 . 1 111 478 66 SER H H 8.41 . 1 112 478 66 SER N N 117.99 . 1 113 480 68 GLU H H 8.57 . 1 114 480 68 GLU N N 120.04 . 1 115 481 69 LEU H H 8.03 . 1 116 481 69 LEU N N 122.33 . 1 117 482 70 LEU H H 8 . 1 118 482 70 LEU N N 121.82 . 1 119 483 71 ASN H H 8.29 . 1 120 483 71 ASN N N 119.7 . 1 121 485 73 GLU H H 8.36 . 1 122 485 73 GLU N N 122.15 . 1 123 487 75 ARG H H 8.35 . 1 124 487 75 ARG N N 122.7 . 1 125 488 76 ARG H H 8.42 . 1 126 488 76 ARG N N 120.82 . 1 127 489 77 LEU H H 8.33 . 1 128 489 77 LEU N N 123.54 . 1 129 490 78 SER H H 8.26 . 1 130 490 78 SER N N 117.98 . 1 131 492 80 GLU H H 8.62 . 1 132 492 80 GLU N N 119.54 . 1 133 493 81 LEU H H 8.04 . 1 134 493 81 LEU N N 122.56 . 1 135 494 82 ARG H H 8.14 . 1 136 494 82 ARG N N 120.98 . 1 137 496 84 LEU H H 8.09 . 1 138 496 84 LEU N N 123.99 . 1 139 498 86 TYR H H 8.16 . 1 140 498 86 TYR N N 119.96 . 1 141 499 87 GLY H H 8.24 . 1 142 499 87 GLY N N 110.98 . 1 143 501 89 GLY H H 8.42 . 1 144 501 89 GLY N N 110.3 . 1 145 502 90 LEU H H 8.2 . 1 146 502 90 LEU N N 121.55 . 1 147 503 91 SER H H 8.3 . 1 148 503 91 SER N N 116.18 . 1 149 504 92 ALA H H 8.25 . 1 150 504 92 ALA N N 125.2 . 1 151 505 93 TRP H H 7.95 . 1 152 505 93 TRP N N 119.02 . 1 153 506 94 SER H H 7.87 . 1 154 506 94 SER N N 116.89 . 1 155 507 95 HIS H H 8.09 . 1 156 507 95 HIS N N 122.3 . 1 157 509 97 GLN H H 8.74 . 1 158 509 97 GLN N N 120.54 . 1 159 510 98 PHE H H 8.16 . 1 160 510 98 PHE N N 120.43 . 1 161 511 99 GLU H H 8.31 . 1 162 511 99 GLU N N 122.63 . 1 163 512 100 LYS H H 7.91 . 1 164 512 100 LYS N N 127.05 . 1 stop_ save_ save_heteronucl_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 800 _T1_coherence_type Sz _T1_value_units ms _Mol_system_component_name 'hZIP4 ICL2' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ARG N 629.76 1 2 4 GLY N 596.65 0.68 3 6 GLU N 596.95 1.09 4 7 PHE N 607.21 1.01 5 8 GLU N 623.51 1.06 6 9 LEU N 659.35 1.17 7 10 GLY N 659.43 1.36 8 11 THR N 696.63 1.48 9 12 LEU N 708.29 1.49 10 14 ARG N 742.94 1.9 11 15 ASP N 752.64 2.29 12 17 GLU N 771.13 2.06 13 18 ASP N 777.7 2.1 14 19 LEU N 748.67 1.71 15 20 GLU N 722.94 1.76 16 21 ASP N 712.05 1.74 17 22 GLY N 728 1.23 18 24 CYS N 692.02 1.94 19 25 GLY N 694.09 2.47 20 26 HIS N 703.37 4.14 21 27 SER N 715.68 5.88 22 28 SER N 694.53 6.41 23 29 HIS N 695.43 10.35 24 30 SER N 708.88 7 25 31 HIS N 707.53 9.03 26 32 GLY N 669.75 1.91 27 34 HIS N 692.54 3.6 28 35 SER N 709.42 7.82 29 36 HIS N 685.7 7.53 30 38 VAL N 712.33 1 31 39 SER N 680.86 15.42 32 40 LEU N 683.41 1.41 33 41 GLN N 696.46 14.07 34 42 LEU N 717.07 1.56 35 43 ALA N 722.9 1.46 36 45 SER N 735.02 2.15 37 46 GLU N 697.7 2.01 38 47 LEU N 681.02 2.48 39 48 ARG N 711.32 2.13 40 49 GLN N 740.21 2.69 41 51 LYS N 753.57 2.27 42 54 HIS N 730.21 3.31 43 55 GLU N 714.9 2.92 44 56 GLY N 695.8 1.96 45 57 SER N 710.12 1.86 46 58 ARG N 684.1 2.24 47 59 ALA N 683.84 1.6 48 60 ASP N 720.73 1.23 49 61 LEU N 729.41 1.19 50 62 VAL N 723.96 1.21 51 63 ALA N 709.07 1.3 52 64 GLU N 751.65 1.27 53 65 GLU N 714.25 1.44 54 66 SER N 730.6 1.68 55 68 GLU N 752.14 2.09 56 69 LEU N 747.8 2.43 57 70 LEU N 745.14 2.51 58 71 ASN N 757.44 2.42 59 75 ARG N 787.84 2.59 60 76 ARG N 759.95 3.59 61 77 LEU N 762.03 3.68 62 78 SER N 794.41 3.28 63 80 GLU N 790.5 4.08 64 81 LEU N 799.94 3.95 65 82 ARG N 788.63 4.41 66 84 LEU N 822.94 4.39 67 86 TYR N 762.14 2.9 68 87 GLY N 745.32 4.07 69 89 GLY N 735.35 3.92 70 90 LEU N 710.35 2.82 71 91 SER N 738.73 2.62 72 92 ALA N 715.83 3 73 93 TRP N 730.11 2.61 74 94 SER N 696.33 3.82 75 95 HIS N 735 2.07 76 97 GLN N 659.11 2.23 77 98 PHE N 641.54 1.08 78 99 GLU N 608.43 0.91 79 100 LYS N 658.6 0.66 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 800 _T2_coherence_type S(+,-) _T2_value_units ms _Mol_system_component_name 'hZIP4 ICL2' _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 3 ARG N 247.30 0.88 . . 2 4 GLY N 234.55 0.63 . . 3 6 GLU N 152.27 0.48 . . 4 7 PHE N 141.41 0.42 . . 5 8 GLU N 141.26 0.43 . . 6 9 LEU N 134.55 0.43 . . 7 10 GLY N 160.42 0.65 . . 8 11 THR N 133.80 0.52 . . 9 12 LEU N 136.90 0.53 . . 10 14 ARG N 110.20 0.44 . . 11 15 ASP N 104.83 0.48 . . 12 17 GLU N 83.74 0.28 . . 13 18 ASP N 89.58 0.32 . . 14 19 LEU N 108.10 0.38 . . 15 20 GLU N 103.33 0.35 . . 16 21 ASP N 111.33 0.42 . . 17 22 GLY N 163.85 0.56 . . 18 24 CYS N 113.85 0.49 . . 19 25 GLY N 128.92 0.79 . . 20 26 HIS N 106.82 0.91 . . 21 27 SER N 111.58 1.44 . . 22 28 SER N 108.51 1.48 . . 23 29 HIS N 111.34 2.34 . . 24 30 SER N 112.57 1.73 . . 25 31 HIS N 108.86 2.11 . . 26 32 GLY N 152.86 0.82 . . 27 34 HIS N 119.65 1.01 . . 28 35 SER N 119.42 2.10 . . 29 36 HIS N 115.95 1.83 . . 30 38 VAL N 106.09 0.22 . . 31 39 SER N 109.14 0.37 . . 32 40 LEU N 125.49 0.45 . . 33 41 GLN N 111.34 0.35 . . 34 42 LEU N 113.24 0.40 . . 35 43 ALA N 119.58 0.39 . . 36 45 SER N 86.04 0.33 . . 37 46 GLU N 97.17 0.39 . . 38 47 LEU N 102.82 0.48 . . 39 48 ARG N 99.59 0.42 . . 40 49 GLN N 93.58 0.45 . . 41 51 LYS N 99.68 0.42 . . 42 54 HIS N 88.54 0.53 . . 43 55 GLU N 102.84 0.59 . . 44 56 GLY N 132.67 0.65 . . 45 57 SER N 116.66 0.48 . . 46 58 ARG N 121.57 0.63 . . 47 59 ALA N 117.18 0.43 . . 48 60 ASP N 107.86 0.28 . . 49 61 LEU N 114.08 0.29 . . 50 62 VAL N 117.50 0.32 . . 51 63 ALA N 126.16 0.40 . . 52 64 GLU N 109.62 0.29 . . 53 65 GLU N 112.00 0.35 . . 54 66 SER N 105.00 0.36 . . 55 68 GLU N 87.82 0.32 . . 56 69 LEU N 86.12 0.36 . . 57 70 LEU N 99.42 0.48 . . 58 71 ASN N 92.26 0.41 . . 59 75 ARG N 86.40 0.38 . . 60 76 ARG N 69.38 0.40 . . 61 77 LEU N 80.87 0.50 . . 62 78 SER N 79.13 0.41 . . 63 80 GLU N 64.61 0.42 . . 64 81 LEU N 64.45 0.40 . . 65 82 ARG N 69.91 0.48 . . 66 84 LEU N 70.10 0.46 . . 67 86 TYR N 70.51 0.34 . . 68 87 GLY N 77.69 0.55 . . 69 89 GLY N 99.81 0.75 . . 70 90 LEU N 92.09 0.50 . . 71 91 SER N 94.79 0.46 . . 72 92 ALA N 98.34 0.58 . . 73 93 TRP N 79.94 0.36 . . 74 94 SER N 90.29 0.64 . . 75 95 HIS N 79.11 0.30 . . 76 97 GLN N 114.32 0.57 . . 77 98 PHE N 126.76 0.35 . . 78 99 GLU N 162.80 0.46 . . 79 100 LYS N 251.58 0.61 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label HetNOE_relaxation_800 stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 800 _Mol_system_component_name 'hZIP4 ICL2' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 ARG 0.32959 0.00326 4 GLY 0.35755 0.00293 6 GLU 0.45762 0.00419 7 PHE 0.60584 0.00456 8 GLU 0.60883 0.00435 9 LEU 0.52588 0.00454 10 GLY 0.52865 0.00511 11 THR 0.52824 0.00494 12 LEU 0.50323 0.00521 14 ARG 0.48745 0.00543 15 ASP 0.52024 0.0062 17 GLU 0.50199 0.00617 18 ASP 0.55125 0.00598 19 LEU 0.49309 0.00484 20 GLU 0.54355 0.00537 21 ASP 0.48522 0.00503 22 GLY 0.39453 0.0041 24 CYS 0.46414 0.00567 25 GLY 0.49764 0.00753 26 HIS 0.58804 0.01034 27 SER 0.52163 0.0108 28 SER 0.51066 0.01175 29 HIS 0.55303 0.01606 30 SER 0.53129 0.0138 31 HIS 0.55933 0.01602 32 GLY 0.51291 0.00575 34 HIS 0.51598 0.01249 35 SER 0.49612 0.01371 36 HIS 0.51626 0.00519 37 GLY 0.4713 0.00848 38 VAL 0.49442 0.00301 39 SER 0.47439 0.00455 40 LEU 0.42953 0.0045 41 GLN 0.41369 0.00407 42 LEU 0.4913 0.00495 43 ALA 0.46188 0.00437 45 SER 0.44763 0.00551 46 GLU 0.52319 0.00566 47 LEU 0.48009 0.00432 48 ARG 0.51249 0.00614 49 GLN 0.45541 0.0054 51 LYS 0.52906 0.00612 54 HIS 0.49061 0.00763 55 GLU 0.46134 0.00695 56 GLY 0.4516 0.00557 57 SER 0.49492 0.00539 58 ARG 0.50344 0.00554 59 ALA 0.53105 0.00481 60 ASP 0.44564 0.00377 61 LEU 0.50076 0.00377 62 VAL 0.37429 0.00368 63 ALA 0.3684 0.0038 64 GLU 0.38834 0.00377 65 GLU 0.48172 0.00452 66 SER 0.46186 0.00493 68 GLU 0.44602 0.00543 69 LEU 0.51017 0.0059 70 LEU 0.5168 0.0068 71 ASN 0.4528 0.0063 73 GLU 0.45071 0.00594 75 ARG 0.53604 0.00851 77 LEU 0.4878 0.0086 78 SER 0.4776 0.00773 80 GLU 0.52527 0.00872 81 LEU 0.54387 0.00821 82 ARG 0.54816 0.01037 84 LEU 0.52749 0.01014 86 TYR 0.58017 0.00751 87 GLY 0.55051 0.00947 89 GLY 0.53169 0.0087 90 LEU 0.58733 0.00809 91 SER 0.47975 0.00672 92 ALA 0.54687 0.00765 93 TRP 0.58029 0.00775 94 SER 0.58739 0.01021 95 HIS 0.5074 0.00416 97 GLN 0.57867 0.00685 98 PHE 0.52119 0.00436 99 GLU 0.39983 0.00343 100 LYS 0.35519 0.00269 stop_ save_