data_6727 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of telomeric repeat-binding domain of Arabidopsis thaliana ; _BMRB_accession_number 6727 _BMRB_flat_file_name bmr6727.str _Entry_type original _Submission_date 2005-07-08 _Accession_date 2005-07-11 _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 Cheng Ying-Hsien . . 2 Sue Shih-Che . . 3 Hsaio Hsin-Hao . . 4 Huang Tai-huang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 521 "13C chemical shifts" 399 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-02-13 original author . stop_ _Original_release_date 2006-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Arabidopsis thaliana Telomeric Repeat-binding Protein DNA Binding Domain: A New Fold with an Additional C-terminal Helix. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16337232 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sue Shih-Che . . 2 Hsaio Hsin-Hao . . 3 Chung Chih-Pin P . 4 Cheng Ying-Hsien . . 5 Hsueh Kuang-Lung . . 6 Chen 'Chung Mong' . . 7 Ho 'Chia Hsing' . . 8 Huang Tai-huang . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 356 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 72 _Page_last 85 _Year 2005 _Details . loop_ _Keyword AtTRP1d telomere TRP stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'telomeric repeat-binding domain of Arabidopsis thaliana' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'telomeric repeat-binding domain of Arabidopsis thaliana' $telomeric_repeat-binding_domain_of_Arabidopsis_thaliana stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_telomeric_repeat-binding_domain_of_Arabidopsis_thaliana _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'telomeric repeat-binding domain of Arabidopsis thaliana' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GSHMLEDPQRRIRRPFSVAE VEALVQAVEKLGTGRWRDVK LCAFEDADHRTYVDLKDKWK TLVHTAKISPQQRRGEPVPQ ELLNRVLNAHGYWTQQQMQQ LQQNV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -8 GLY 2 -7 SER 3 -6 HIS 4 -5 MET 5 -4 LEU 6 -3 GLU 7 -2 ASP 8 -1 PRO 9 464 GLN 10 465 ARG 11 466 ARG 12 467 ILE 13 468 ARG 14 469 ARG 15 470 PRO 16 471 PHE 17 472 SER 18 473 VAL 19 474 ALA 20 475 GLU 21 476 VAL 22 477 GLU 23 478 ALA 24 479 LEU 25 480 VAL 26 481 GLN 27 482 ALA 28 483 VAL 29 484 GLU 30 485 LYS 31 486 LEU 32 487 GLY 33 488 THR 34 489 GLY 35 490 ARG 36 491 TRP 37 492 ARG 38 493 ASP 39 494 VAL 40 495 LYS 41 496 LEU 42 497 CYS 43 498 ALA 44 499 PHE 45 500 GLU 46 501 ASP 47 502 ALA 48 503 ASP 49 504 HIS 50 505 ARG 51 506 THR 52 507 TYR 53 508 VAL 54 509 ASP 55 510 LEU 56 511 LYS 57 512 ASP 58 513 LYS 59 514 TRP 60 515 LYS 61 516 THR 62 517 LEU 63 518 VAL 64 519 HIS 65 520 THR 66 521 ALA 67 522 LYS 68 523 ILE 69 524 SER 70 525 PRO 71 526 GLN 72 527 GLN 73 528 ARG 74 529 ARG 75 530 GLY 76 531 GLU 77 532 PRO 78 533 VAL 79 534 PRO 80 535 GLN 81 536 GLU 82 537 LEU 83 538 LEU 84 539 ASN 85 540 ARG 86 541 VAL 87 542 LEU 88 543 ASN 89 544 ALA 90 545 HIS 91 546 GLY 92 547 TYR 93 548 TRP 94 549 THR 95 550 GLN 96 551 GLN 97 552 GLN 98 553 MET 99 554 GLN 100 555 GLN 101 556 LEU 102 557 GLN 103 558 GLN 104 559 ASN 105 560 VAL 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 PDB 2AJE "Solution Structure Of The Arabidopsis Thaliana Telomeric Repeat-Binding Protein Dna Binding Domain" 100.00 105 100.00 100.00 8.98e-71 DBJ BAA97479 "telomere repeat-binding protein [Arabidopsis thaliana]" 92.38 578 100.00 100.00 1.54e-60 DBJ BAH19498 "AT5G59430 [Arabidopsis thaliana]" 92.38 578 100.00 100.00 1.54e-60 DBJ BAH56945 "AT5G59430 [Arabidopsis thaliana]" 86.67 571 100.00 100.00 2.81e-56 EMBL CAB50690 "telomere repeat-binding protein TRP1 [Arabidopsis thaliana]" 92.38 578 100.00 100.00 1.84e-60 GB AAM91585 "telomere repeat-binding protein [Arabidopsis thaliana]" 92.38 578 98.97 98.97 5.01e-60 GB AAN15436 "telomere repeat-binding protein [Arabidopsis thaliana]" 92.38 578 98.97 98.97 5.01e-60 GB AAS10014 "MYB transcription factor [Arabidopsis thaliana]" 92.38 578 100.00 100.00 1.54e-60 GB AED97184 "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" 92.38 578 100.00 100.00 1.54e-60 GB AED97185 "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" 92.38 578 100.00 100.00 1.54e-60 REF NP_001078770 "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" 88.57 568 98.92 98.92 4.79e-57 REF NP_001078771 "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" 92.38 577 100.00 100.00 1.52e-60 REF NP_200751 "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" 92.38 578 100.00 100.00 1.54e-60 REF NP_851221 "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" 92.38 578 100.00 100.00 1.54e-60 REF XP_002864634 "ATTRP1 [Arabidopsis lyrata subsp. lyrata]" 90.48 574 98.95 98.95 1.03e-56 SP Q8L7L8 "RecName: Full=Telomere repeat-binding protein 1; Short=AtTRP1 [Arabidopsis thaliana]" 92.38 578 100.00 100.00 1.54e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $telomeric_repeat-binding_domain_of_Arabidopsis_thaliana 'Arabidopsis thaliana' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $telomeric_repeat-binding_domain_of_Arabidopsis_thaliana 'recombinant technology' 'E. coli' . . . . 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 $telomeric_repeat-binding_domain_of_Arabidopsis_thaliana 1 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HCCH-TOSCY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOSCY _Sample_label . save_ save_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_15N_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label . save_ save_13C_NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 7.4 0.1 pH temperature 298 0.1 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 internal 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'telomeric repeat-binding domain of Arabidopsis thaliana' _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 9 9 GLN H H 8.428 0.04 1 2 9 9 GLN HA H 4.184 0.04 1 3 9 9 GLN HB2 H 2.022 0.04 2 4 9 9 GLN HB3 H 2.077 0.04 2 5 9 9 GLN HG2 H 2.295 0.04 1 6 9 9 GLN HG3 H 2.295 0.04 1 7 9 9 GLN C C 176.353 0.4 1 8 9 9 GLN CA C 56.29 0.4 1 9 9 9 GLN CB C 28.815 0.4 1 10 9 9 GLN CG C 33.947 0.4 1 11 9 9 GLN N N 117.25 0.4 1 12 10 10 ARG H H 7.915 0.04 1 13 10 10 ARG HA H 4.246 0.04 1 14 10 10 ARG HB2 H 1.747 0.04 2 15 10 10 ARG HB3 H 1.689 0.04 2 16 10 10 ARG HG2 H 1.522 0.04 2 17 10 10 ARG HG3 H 1.552 0.04 2 18 10 10 ARG HD2 H 3.134 0.04 1 19 10 10 ARG HD3 H 3.134 0.04 1 20 10 10 ARG C C 176.017 0.4 1 21 10 10 ARG CA C 56.28 0.4 1 22 10 10 ARG CB C 30.188 0.4 1 23 10 10 ARG CG C 26.908 0.4 1 24 10 10 ARG CD C 43.213 0.4 1 25 10 10 ARG N N 120.185 0.4 1 26 11 11 ARG H H 8.064 0.04 1 27 11 11 ARG HA H 4.264 0.04 1 28 11 11 ARG HB2 H 1.741 0.04 2 29 11 11 ARG HB3 H 1.734 0.04 2 30 11 11 ARG HG2 H 1.685 0.04 2 31 11 11 ARG HG3 H 1.548 0.04 2 32 11 11 ARG HD2 H 3.114 0.04 1 33 11 11 ARG HD3 H 3.114 0.04 1 34 11 11 ARG C C 176.02 0.4 1 35 11 11 ARG CA C 56.185 0.4 1 36 11 11 ARG CB C 30.737 0.4 1 37 11 11 ARG CG C 26.908 0.4 1 38 11 11 ARG CD C 43.211 0.4 1 39 11 11 ARG N N 121.249 0.4 1 40 12 12 ILE H H 8.192 0.04 1 41 12 12 ILE HA H 4.061 0.04 1 42 12 12 ILE HB H 1.781 0.04 1 43 12 12 ILE HG12 H 1.424 0.04 2 44 12 12 ILE HG13 H 1.129 0.04 2 45 12 12 ILE HG2 H 0.803 0.04 1 46 12 12 ILE HD1 H 0.794 0.04 1 47 12 12 ILE C C 176.107 0.4 1 48 12 12 ILE CA C 61.001 0.4 1 49 12 12 ILE CB C 38.149 0.4 1 50 12 12 ILE CG1 C 27.107 0.4 1 51 12 12 ILE CG2 C 16.922 0.4 1 52 12 12 ILE CD1 C 12.272 0.4 1 53 12 12 ILE N N 122.963 0.4 1 54 13 13 ARG H H 8.467 0.04 1 55 13 13 ARG HA H 4.358 0.04 1 56 13 13 ARG HB2 H 1.721 0.04 1 57 13 13 ARG HB3 H 1.721 0.04 1 58 13 13 ARG HG2 H 1.658 0.04 1 59 13 13 ARG HG3 H 1.658 0.04 1 60 13 13 ARG HD2 H 3.14 0.04 1 61 13 13 ARG HD3 H 3.14 0.04 1 62 13 13 ARG C C 175.853 0.4 1 63 13 13 ARG CA C 55.501 0.4 1 64 13 13 ARG CB C 30.737 0.4 1 65 13 13 ARG CG C 27.107 0.4 1 66 13 13 ARG CD C 43.213 0.4 1 67 13 13 ARG N N 126.39 0.4 1 68 14 14 ARG H H 8.833 0.04 1 69 14 14 ARG C C 174.853 0.4 1 70 14 14 ARG CA C 53.636 0.4 1 71 14 14 ARG CB C 30.117 0.4 1 72 14 14 ARG N N 124.105 0.4 1 73 15 15 PRO HA H 4.557 0.04 1 74 15 15 PRO HB2 H 2.364 0.04 2 75 15 15 PRO HB3 H 1.839 0.04 2 76 15 15 PRO HG2 H 2.003 0.04 1 77 15 15 PRO HG3 H 2.003 0.04 1 78 15 15 PRO C C 177.196 0.4 1 79 15 15 PRO CA C 63.264 0.4 1 80 15 15 PRO CB C 32.007 0.4 1 81 15 15 PRO CG C 27.406 0.4 1 82 16 16 PHE H H 9.287 0.04 1 83 16 16 PHE HA H 4.667 0.04 1 84 16 16 PHE HB2 H 2.966 0.04 2 85 16 16 PHE HB3 H 2.935 0.04 2 86 16 16 PHE HD1 H 7.278 0.04 1 87 16 16 PHE HD2 H 7.278 0.04 1 88 16 16 PHE HE1 H 7.082 0.04 1 89 16 16 PHE HE2 H 7.082 0.04 1 90 16 16 PHE HZ H 6.708 0.04 1 91 16 16 PHE C C 177.236 0.4 1 92 16 16 PHE CA C 57.645 0.4 1 93 16 16 PHE CB C 39.521 0.4 1 94 16 16 PHE CD1 C 131.124 0.4 1 95 16 16 PHE CD2 C 131.124 0.4 1 96 16 16 PHE CE1 C 130.734 0.4 1 97 16 16 PHE CE2 C 130.734 0.4 1 98 16 16 PHE CZ C 128.059 0.4 1 99 16 16 PHE N N 124.676 0.4 1 100 17 17 SER H H 9.412 0.04 1 101 17 17 SER HA H 4.687 0.04 1 102 17 17 SER HB2 H 4.451 0.04 2 103 17 17 SER HB3 H 4.092 0.04 2 104 17 17 SER C C 175.484 0.4 1 105 17 17 SER CA C 56.577 0.4 1 106 17 17 SER CB C 65.599 0.4 1 107 17 17 SER N N 121.249 0.4 1 108 18 18 VAL H H 8.97 0.04 1 109 18 18 VAL HA H 3.699 0.04 1 110 18 18 VAL HB H 2.091 0.04 1 111 18 18 VAL HG1 H 0.975 0.04 2 112 18 18 VAL HG2 H 1.117 0.04 2 113 18 18 VAL C C 177.844 0.4 1 114 18 18 VAL CA C 67.578 0.4 1 115 18 18 VAL CB C 30.615 0.4 1 116 18 18 VAL CG1 C 21.154 0.4 2 117 18 18 VAL CG2 C 22.9 0.4 2 118 18 18 VAL N N 121.82 0.4 1 119 19 19 ALA H H 8.296 0.04 1 120 19 19 ALA HA H 4.274 0.04 1 121 19 19 ALA HB H 1.407 0.04 1 122 19 19 ALA C C 181.618 0.4 1 123 19 19 ALA CA C 55.026 0.4 1 124 19 19 ALA CB C 17.835 0.4 1 125 19 19 ALA N N 121.82 0.4 1 126 20 20 GLU H H 8.068 0.04 1 127 20 20 GLU HA H 4.229 0.04 1 128 20 20 GLU HB2 H 2.729 0.04 2 129 20 20 GLU HB3 H 2.212 0.04 2 130 20 20 GLU C C 179.113 0.4 1 131 20 20 GLU CA C 60.015 0.4 1 132 20 20 GLU CB C 32.603 0.4 1 133 20 20 GLU CG C 38.956 0.4 1 134 20 20 GLU N N 118.964 0.4 1 135 21 21 VAL H H 8.569 0.04 1 136 21 21 VAL HA H 3.67 0.04 1 137 21 21 VAL HB H 2.414 0.04 1 138 21 21 VAL HG1 H 0.923 0.04 2 139 21 21 VAL HG2 H 1.09 0.04 2 140 21 21 VAL C C 177.608 0.4 1 141 21 21 VAL CA C 68.326 0.4 1 142 21 21 VAL CB C 30.714 0.4 1 143 21 21 VAL CG1 C 24.021 0.4 2 144 21 21 VAL CG2 C 23.124 0.4 2 145 21 21 VAL N N 120.677 0.4 1 146 22 22 GLU H H 8.821 0.04 1 147 22 22 GLU HA H 3.822 0.04 1 148 22 22 GLU HB2 H 2.172 0.04 2 149 22 22 GLU HB3 H 2.144 0.04 2 150 22 22 GLU HG2 H 2.207 0.04 1 151 22 22 GLU HG3 H 2.207 0.04 1 152 22 22 GLU C C 177.934 0.4 1 153 22 22 GLU CA C 60.606 0.4 1 154 22 22 GLU CB C 28.825 0.4 1 155 22 22 GLU CG C 36.466 0.4 1 156 22 22 GLU N N 120.106 0.4 1 157 23 23 ALA H H 8.047 0.04 1 158 23 23 ALA HA H 4.12 0.04 1 159 23 23 ALA HB H 1.354 0.04 1 160 23 23 ALA C C 180.4 0.4 1 161 23 23 ALA CA C 54.975 0.4 1 162 23 23 ALA CB C 17.835 0.4 1 163 23 23 ALA N N 120.677 0.4 1 164 24 24 LEU H H 8.529 0.04 1 165 24 24 LEU HA H 4.271 0.04 1 166 24 24 LEU HB2 H 2.654 0.04 2 167 24 24 LEU HB3 H 1.887 0.04 2 168 24 24 LEU HG H 1.895 0.04 1 169 24 24 LEU HD1 H 1.227 0.04 2 170 24 24 LEU HD2 H 1.003 0.04 2 171 24 24 LEU C C 177.197 0.4 1 172 24 24 LEU CA C 58.722 0.4 1 173 24 24 LEU CB C 42.815 0.4 1 174 24 24 LEU CG C 27.306 0.4 1 175 24 24 LEU CD1 C 26.536 0.4 2 176 24 24 LEU CD2 C 24.825 0.4 2 177 24 24 LEU N N 119.535 0.4 1 178 25 25 VAL H H 8.967 0.04 1 179 25 25 VAL HA H 3.746 0.04 1 180 25 25 VAL HB H 2.187 0.04 1 181 25 25 VAL HG1 H 1.191 0.04 2 182 25 25 VAL HG2 H 0.966 0.04 2 183 25 25 VAL C C 177.209 0.4 1 184 25 25 VAL CA C 67.528 0.4 1 185 25 25 VAL CB C 31.561 0.4 1 186 25 25 VAL CG1 C 24.22 0.4 2 187 25 25 VAL CG2 C 21.332 0.4 2 188 25 25 VAL N N 118.392 0.4 1 189 26 26 GLN H H 8.613 0.04 1 190 26 26 GLN HA H 4.369 0.04 1 191 26 26 GLN HB2 H 2.205 0.04 2 192 26 26 GLN HB3 H 2.049 0.04 2 193 26 26 GLN HG2 H 2.599 0.04 2 194 26 26 GLN HG3 H 2.308 0.04 2 195 26 26 GLN C C 178.738 0.4 1 196 26 26 GLN CA C 58.714 0.4 1 197 26 26 GLN CB C 28.541 0.4 1 198 26 26 GLN CG C 34.176 0.4 1 199 26 26 GLN N N 117.821 0.4 1 200 27 27 ALA H H 7.837 0.04 1 201 27 27 ALA HA H 4.194 0.04 1 202 27 27 ALA HB H 1.571 0.04 1 203 27 27 ALA C C 179.103 0.4 1 204 27 27 ALA CA C 54.976 0.4 1 205 27 27 ALA CB C 19.757 0.4 1 206 27 27 ALA N N 120.106 0.4 1 207 28 28 VAL H H 8.404 0.04 1 208 28 28 VAL HA H 3.099 0.04 1 209 28 28 VAL HB H 1.484 0.04 1 210 28 28 VAL HG1 H 0.322 0.04 2 211 28 28 VAL HG2 H -0.465 0.04 2 212 28 28 VAL C C 179.478 0.4 1 213 28 28 VAL CA C 65.69 0.4 1 214 28 28 VAL CB C 30.913 0.4 1 215 28 28 VAL CG1 C 22.95 0.4 2 216 28 28 VAL CG2 C 20.424 0.4 2 217 28 28 VAL N N 120.106 0.4 1 218 29 29 GLU H H 9.05 0.04 1 219 29 29 GLU HA H 3.879 0.04 1 220 29 29 GLU HB2 H 2.548 0.04 2 221 29 29 GLU HB3 H 1.892 0.04 2 222 29 29 GLU HG2 H 2.653 0.04 2 223 29 29 GLU HG3 H 2.342 0.04 2 224 29 29 GLU C C 178.679 0.4 1 225 29 29 GLU CA C 60.85 0.4 1 226 29 29 GLU CB C 29.364 0.4 1 227 29 29 GLU CG C 37.292 0.4 1 228 29 29 GLU N N 120.106 0.4 1 229 30 30 LYS H H 7.152 0.04 1 230 30 30 LYS HA H 4.329 0.04 1 231 30 30 LYS HB2 H 1.865 0.04 2 232 30 30 LYS HB3 H 1.865 0.04 2 233 30 30 LYS HG2 H 1.573 0.04 2 234 30 30 LYS HG3 H 1.385 0.04 2 235 30 30 LYS HD2 H 1.639 0.04 1 236 30 30 LYS HD3 H 1.639 0.04 1 237 30 30 LYS HE2 H 2.936 0.04 1 238 30 30 LYS HE3 H 2.936 0.04 1 239 30 30 LYS C C 177.912 0.4 1 240 30 30 LYS CA C 58.455 0.4 1 241 30 30 LYS CB C 33.757 0.4 1 242 30 30 LYS CG C 24.817 0.4 1 243 30 30 LYS CD C 28.899 0.4 1 244 30 30 LYS CE C 42.018 0.4 1 245 30 30 LYS N N 114.393 0.4 1 246 31 31 LEU H H 8.511 0.04 1 247 31 31 LEU HA H 4.062 0.04 1 248 31 31 LEU HB2 H 1.377 0.04 2 249 31 31 LEU HB3 H 0.836 0.04 2 250 31 31 LEU HD1 H 0.744 0.04 2 251 31 31 LEU HD2 H 0.622 0.04 2 252 31 31 LEU C C 177.244 0.4 1 253 31 31 LEU CA C 55.238 0.4 1 254 31 31 LEU CB C 43.913 0.4 1 255 31 31 LEU CD1 C 16.92 0.4 2 256 31 31 LEU CD2 C 12.946 0.4 2 257 31 31 LEU N N 116.678 0.4 1 258 32 32 GLY H H 8.343 0.04 1 259 32 32 GLY HA2 H 1.276 0.04 2 260 32 32 GLY HA3 H 2.184 0.04 2 261 32 32 GLY C C 173.304 0.4 1 262 32 32 GLY CA C 41.056 0.4 1 263 32 32 GLY N N 110.394 0.4 1 264 33 33 THR H H 6.343 0.04 1 265 33 33 THR HA H 4.676 0.04 1 266 33 33 THR HB H 3.197 0.04 1 267 33 33 THR HG2 H 0.826 0.04 1 268 33 33 THR C C 173.797 0.4 1 269 33 33 THR CA C 60.617 0.4 1 270 33 33 THR CB C 68.344 0.4 1 271 33 33 THR CG2 C 21.93 0.4 1 272 33 33 THR N N 102.396 0.4 1 273 34 34 GLY H H 7.767 0.04 1 274 34 34 GLY HA2 H 4.367 0.04 2 275 34 34 GLY HA3 H 3.427 0.04 2 276 34 34 GLY C C 174.705 0.4 1 277 34 34 GLY CA C 45.07 0.4 1 278 34 34 GLY N N 108.68 0.4 1 279 35 35 ARG H H 8.012 0.04 1 280 35 35 ARG HA H 4.587 0.04 1 281 35 35 ARG HB2 H 1.952 0.04 2 282 35 35 ARG HB3 H 0.888 0.04 2 283 35 35 ARG HG2 H 2.985 0.04 1 284 35 35 ARG HG3 H 2.985 0.04 1 285 35 35 ARG C C 176.47 0.4 1 286 35 35 ARG CA C 58.557 0.4 1 287 35 35 ARG CB C 30.737 0.4 1 288 35 35 ARG CG C 27.762 0.4 1 289 35 35 ARG N N 122.963 0.4 1 290 36 36 TRP H H 7.228 0.04 1 291 36 36 TRP HA H 4.013 0.04 1 292 36 36 TRP HB2 H 3.106 0.04 2 293 36 36 TRP HB3 H 3.018 0.04 2 294 36 36 TRP HD1 H 7.557 0.04 1 295 36 36 TRP HE1 H 10.188 0.04 1 296 36 36 TRP C C 178.462 0.4 1 297 36 36 TRP CA C 60.057 0.4 1 298 36 36 TRP CB C 28.815 0.4 1 299 36 36 TRP CD1 C 127.626 0.4 1 300 36 36 TRP N N 120.677 0.4 1 301 36 36 TRP NE1 N 131.486 0.4 1 302 37 37 ARG H H 8.661 0.04 1 303 37 37 ARG HA H 3.883 0.04 1 304 37 37 ARG HB2 H 1.603 0.04 2 305 37 37 ARG HB3 H 1.478 0.04 2 306 37 37 ARG HG2 H 1.232 0.04 2 307 37 37 ARG HG3 H 1.008 0.04 2 308 37 37 ARG HD2 H 3.846 0.04 1 309 37 37 ARG HD3 H 3.846 0.04 1 310 37 37 ARG C C 178.62 0.4 1 311 37 37 ARG CA C 60.051 0.4 1 312 37 37 ARG CB C 28.725 0.4 1 313 37 37 ARG CG C 27.893 0.4 1 314 37 37 ARG N N 118.392 0.4 1 315 38 38 ASP H H 7.418 0.04 1 316 38 38 ASP HA H 4.419 0.04 1 317 38 38 ASP HB2 H 2.633 0.04 1 318 38 38 ASP HB3 H 2.633 0.04 1 319 38 38 ASP C C 178.776 0.4 1 320 38 38 ASP CA C 57.12 0.4 1 321 38 38 ASP CB C 40.259 0.4 1 322 38 38 ASP N N 120.106 0.4 1 323 39 39 VAL H H 8.045 0.04 1 324 39 39 VAL HA H 3.398 0.04 1 325 39 39 VAL HB H 2.26 0.04 1 326 39 39 VAL HG1 H 1.068 0.04 2 327 39 39 VAL HG2 H 0.518 0.04 2 328 39 39 VAL C C 177.476 0.4 1 329 39 39 VAL CA C 67.016 0.4 1 330 39 39 VAL CB C 30.912 0.4 1 331 39 39 VAL CG1 C 21.333 0.4 2 332 39 39 VAL CG2 C 23.025 0.4 2 333 39 39 VAL N N 122.963 0.4 1 334 40 40 LYS H H 8.108 0.04 1 335 40 40 LYS HA H 4.054 0.04 1 336 40 40 LYS HB2 H 2.42 0.04 2 337 40 40 LYS HB3 H 1.717 0.04 2 338 40 40 LYS HG2 H 1.356 0.04 1 339 40 40 LYS HG3 H 1.356 0.04 1 340 40 40 LYS HD2 H 1.711 0.04 1 341 40 40 LYS HD3 H 1.711 0.04 1 342 40 40 LYS C C 177.639 0.4 1 343 40 40 LYS CA C 59.793 0.4 1 344 40 40 LYS CB C 43.54 0.4 1 345 40 40 LYS CG C 25.414 0.4 1 346 40 40 LYS CD C 38.458 0.4 1 347 40 40 LYS N N 120.106 0.4 1 348 41 41 LEU H H 7.674 0.04 1 349 41 41 LEU HA H 4.035 0.04 1 350 41 41 LEU HB2 H 1.672 0.04 1 351 41 41 LEU HB3 H 1.672 0.04 1 352 41 41 LEU HG H 1.693 0.04 1 353 41 41 LEU C C 177.71 0.4 1 354 41 41 LEU CA C 57.639 0.4 1 355 41 41 LEU CB C 42.266 0.4 1 356 41 41 LEU CG C 26.808 0.4 1 357 41 41 LEU N N 117.821 0.4 1 358 42 42 CYS H H 8.122 0.04 1 359 42 42 CYS HA H 4.267 0.04 1 360 42 42 CYS HB2 H 2.99 0.04 2 361 42 42 CYS HB3 H 2.894 0.04 2 362 42 42 CYS C C 176.148 0.4 1 363 42 42 CYS CA C 61.011 0.4 1 364 42 42 CYS CB C 27.443 0.4 1 365 42 42 CYS N N 114.393 0.4 1 366 43 43 ALA H H 7.829 0.04 1 367 43 43 ALA HA H 4.661 0.04 1 368 43 43 ALA HB H 1.202 0.04 1 369 43 43 ALA C C 176.424 0.4 1 370 43 43 ALA CA C 58.038 0.4 1 371 43 43 ALA CB C 26.6 0.4 1 372 43 43 ALA N N 118.392 0.4 1 373 44 44 PHE H H 8.205 0.04 1 374 44 44 PHE HA H 4.896 0.04 1 375 44 44 PHE HB2 H 3.593 0.04 2 376 44 44 PHE HB3 H 2.816 0.04 2 377 44 44 PHE HD1 H 7.172 0.04 1 378 44 44 PHE HD2 H 7.172 0.04 1 379 44 44 PHE HE1 H 7.15 0.04 1 380 44 44 PHE HE2 H 7.15 0.04 1 381 44 44 PHE C C 177.273 0.4 1 382 44 44 PHE CA C 56.577 0.4 1 383 44 44 PHE CB C 40.894 0.4 1 384 44 44 PHE N N 116.678 0.4 1 385 45 45 GLU H H 8.675 0.04 1 386 45 45 GLU HA H 3.822 0.04 1 387 45 45 GLU HB2 H 2.432 0.04 2 388 45 45 GLU HB3 H 1.935 0.04 2 389 45 45 GLU HG2 H 2.239 0.04 2 390 45 45 GLU HG3 H 2.18 0.04 2 391 45 45 GLU C C 177.377 0.4 1 392 45 45 GLU CA C 60.746 0.4 1 393 45 45 GLU CB C 29.09 0.4 1 394 45 45 GLU CG C 35.537 0.4 1 395 45 45 GLU N N 125.819 0.4 1 396 46 46 ASP H H 8.472 0.04 1 397 46 46 ASP HA H 4.686 0.04 1 398 46 46 ASP HB2 H 2.674 0.04 2 399 46 46 ASP HB3 H 2.643 0.04 2 400 46 46 ASP C C 175.017 0.4 1 401 46 46 ASP CA C 53.37 0.4 1 402 46 46 ASP CB C 40.345 0.4 1 403 46 46 ASP N N 114.965 0.4 1 404 47 47 ALA H H 7.148 0.04 1 405 47 47 ALA HA H 4.714 0.04 1 406 47 47 ALA HB H 1.262 0.04 1 407 47 47 ALA C C 176.555 0.4 1 408 47 47 ALA CA C 49.877 0.4 1 409 47 47 ALA CB C 18.11 0.4 1 410 47 47 ALA N N 123.534 0.4 1 411 48 48 ASP H H 8.578 0.04 1 412 48 48 ASP HA H 4.285 0.04 1 413 48 48 ASP HB2 H 2.652 0.04 2 414 48 48 ASP HB3 H 2.653 0.04 2 415 48 48 ASP C C 176.598 0.4 1 416 48 48 ASP CA C 56.864 0.4 1 417 48 48 ASP CB C 40.345 0.4 1 418 48 48 ASP N N 124.676 0.4 1 419 49 49 HIS H H 8.656 0.04 1 420 49 49 HIS HA H 4.438 0.04 1 421 49 49 HIS HB2 H 3.24 0.04 2 422 49 49 HIS HB3 H 2.896 0.04 2 423 49 49 HIS C C 174.267 0.4 1 424 49 49 HIS CA C 59.309 0.4 1 425 49 49 HIS CB C 29.819 0.4 1 426 49 49 HIS N N 113.822 0.4 1 427 50 50 ARG H H 7.269 0.04 1 428 50 50 ARG HA H 4.647 0.04 1 429 50 50 ARG HB2 H 1.823 0.04 2 430 50 50 ARG HB3 H 1.854 0.04 2 431 50 50 ARG HG2 H 1.842 0.04 1 432 50 50 ARG HG3 H 1.842 0.04 1 433 50 50 ARG C C 174.765 0.4 1 434 50 50 ARG CA C 52.289 0.4 1 435 50 50 ARG CB C 29.322 0.4 1 436 50 50 ARG CG C 25.215 0.4 1 437 50 50 ARG N N 119.535 0.4 1 438 51 51 THR H H 8.856 0.04 1 439 51 51 THR HA H 4.673 0.04 1 440 51 51 THR HB H 4.462 0.04 1 441 51 51 THR HG2 H 1.206 0.04 1 442 51 51 THR C C 176.266 0.4 1 443 51 51 THR CA C 60.326 0.4 1 444 51 51 THR CB C 72.012 0.4 1 445 51 51 THR CG2 C 21.033 0.4 1 446 51 51 THR N N 114.965 0.4 1 447 52 52 TYR H H 8.957 0.04 1 448 52 52 TYR HA H 4.205 0.04 1 449 52 52 TYR HB2 H 3.025 0.04 2 450 52 52 TYR HB3 H 2.871 0.04 2 451 52 52 TYR HD1 H 7.168 0.04 1 452 52 52 TYR HD2 H 7.168 0.04 1 453 52 52 TYR HE1 H 6.914 0.04 1 454 52 52 TYR HE2 H 6.914 0.04 1 455 52 52 TYR C C 176.097 0.4 1 456 52 52 TYR CA C 60.857 0.4 1 457 52 52 TYR CB C 36.58 0.4 1 458 52 52 TYR CD1 C 132.832 0.4 1 459 52 52 TYR CD2 C 132.832 0.4 1 460 52 52 TYR CE1 C 118.147 0.4 1 461 52 52 TYR CE2 C 118.147 0.4 1 462 52 52 TYR N N 117.821 0.4 1 463 53 53 VAL H H 6.385 0.04 1 464 53 53 VAL HA H 3.15 0.04 1 465 53 53 VAL HB H 1.482 0.04 1 466 53 53 VAL HG1 H 0.385 0.04 2 467 53 53 VAL HG2 H 0.654 0.04 2 468 53 53 VAL C C 176.842 0.4 1 469 53 53 VAL CA C 65.253 0.4 1 470 53 53 VAL CB C 31.561 0.4 1 471 53 53 VAL CG1 C 21.332 0.4 2 472 53 53 VAL CG2 C 20.994 0.4 2 473 53 53 VAL N N 120.106 0.4 1 474 54 54 ASP H H 7.316 0.04 1 475 54 54 ASP HA H 4.181 0.04 1 476 54 54 ASP HB2 H 2.907 0.04 2 477 54 54 ASP HB3 H 2.635 0.04 2 478 54 54 ASP C C 179.573 0.4 1 479 54 54 ASP CA C 57.123 0.4 1 480 54 54 ASP CB C 41.055 0.4 1 481 54 54 ASP N N 120.106 0.4 1 482 55 55 LEU H H 7.572 0.04 1 483 55 55 LEU HA H 3.743 0.04 1 484 55 55 LEU HB2 H 2.036 0.04 2 485 55 55 LEU HB3 H 1.275 0.04 2 486 55 55 LEU HD1 H 0.696 0.04 2 487 55 55 LEU HD2 H 0.696 0.04 2 488 55 55 LEU C C 175.981 0.4 1 489 55 55 LEU CA C 57.639 0.4 1 490 55 55 LEU CB C 40.345 0.4 1 491 55 55 LEU CD2 C 22.927 0.4 1 492 55 55 LEU N N 118.392 0.4 1 493 56 56 LYS H H 7.018 0.04 1 494 56 56 LYS HA H 1.834 0.04 1 495 56 56 LYS HB2 H 0.33 0.04 2 496 56 56 LYS HB3 H 1.206 0.04 2 497 56 56 LYS HG2 H 0.865 0.04 2 498 56 56 LYS HG3 H 0.749 0.04 2 499 56 56 LYS HD2 H 1.443 0.04 2 500 56 56 LYS HD3 H 1.509 0.04 2 501 56 56 LYS HE2 H 2.914 0.04 1 502 56 56 LYS HE3 H 2.914 0.04 1 503 56 56 LYS C C 178.494 0.4 1 504 56 56 LYS CA C 58.952 0.4 1 505 56 56 LYS CB C 31.011 0.4 1 506 56 56 LYS CG C 23.921 0.4 1 507 56 56 LYS CD C 29.496 0.4 1 508 56 56 LYS CE C 41.855 0.4 1 509 56 56 LYS N N 121.249 0.4 1 510 57 57 ASP H H 8.172 0.04 1 511 57 57 ASP HA H 4.201 0.04 1 512 57 57 ASP HB2 H 2.534 0.04 2 513 57 57 ASP HB3 H 2.45 0.04 2 514 57 57 ASP C C 178.772 0.4 1 515 57 57 ASP CA C 57.049 0.4 1 516 57 57 ASP CB C 40.345 0.4 1 517 57 57 ASP N N 118.392 0.4 1 518 58 58 LYS H H 7.946 0.04 1 519 58 58 LYS HA H 3.944 0.04 1 520 58 58 LYS HB2 H 1.511 0.04 2 521 58 58 LYS HB3 H 1.258 0.04 2 522 58 58 LYS HG2 H 1.577 0.04 1 523 58 58 LYS HG3 H 1.577 0.04 1 524 58 58 LYS HE2 H 2.762 0.04 2 525 58 58 LYS HE3 H 2.696 0.04 2 526 58 58 LYS C C 178.372 0.4 1 527 58 58 LYS CA C 56.574 0.4 1 528 58 58 LYS CB C 29.562 0.4 1 529 58 58 LYS CG C 25.232 0.4 1 530 58 58 LYS CE C 41.692 0.4 1 531 58 58 LYS N N 120.677 0.4 1 532 59 59 TRP H H 8.359 0.04 1 533 59 59 TRP HA H 4.131 0.04 1 534 59 59 TRP HB2 H 3.268 0.04 2 535 59 59 TRP HB3 H 3.244 0.04 2 536 59 59 TRP HD1 H 7.439 0.04 1 537 59 59 TRP HE1 H 11.437 0.04 1 538 59 59 TRP C C 176.366 0.4 1 539 59 59 TRP CA C 60.863 0.4 1 540 59 59 TRP CB C 29.913 0.4 1 541 59 59 TRP CD1 C 126.906 0.4 1 542 59 59 TRP CZ2 C 113.457 0.4 1 543 59 59 TRP N N 120.677 0.4 1 544 59 59 TRP NE1 N 133.202 0.4 1 545 60 60 LYS H H 7.804 0.04 1 546 60 60 LYS HA H 3.68 0.04 1 547 60 60 LYS HB2 H 1.928 0.04 2 548 60 60 LYS HB3 H 1.889 0.04 2 549 60 60 LYS HG2 H 1.365 0.04 2 550 60 60 LYS HG3 H 1.632 0.04 2 551 60 60 LYS HE2 H 2.932 0.04 1 552 60 60 LYS HE3 H 2.932 0.04 1 553 60 60 LYS C C 179.989 0.4 1 554 60 60 LYS CA C 60.245 0.4 1 555 60 60 LYS CB C 31.835 0.4 1 556 60 60 LYS CG C 24.917 0.4 1 557 60 60 LYS CE C 41.936 0.4 1 558 60 60 LYS N N 115.536 0.4 1 559 61 61 THR H H 7.87 0.04 1 560 61 61 THR HA H 4.074 0.04 1 561 61 61 THR HB H 4.245 0.04 1 562 61 61 THR HG2 H 1.18 0.04 1 563 61 61 THR C C 177.221 0.4 1 564 61 61 THR CA C 65.95 0.4 1 565 61 61 THR CB C 68.619 0.4 1 566 61 61 THR CG2 C 21.73 0.4 1 567 61 61 THR N N 113.251 0.4 1 568 62 62 LEU H H 8.402 0.04 1 569 62 62 LEU HA H 3.732 0.04 1 570 62 62 LEU HB2 H 1.763 0.04 2 571 62 62 LEU HB3 H 0.891 0.04 2 572 62 62 LEU HG H 1.654 0.04 1 573 62 62 LEU HD1 H 0.781 0.04 2 574 62 62 LEU HD2 H 0.781 0.04 2 575 62 62 LEU C C 177.685 0.4 1 576 62 62 LEU CA C 58.108 0.4 1 577 62 62 LEU CB C 41.717 0.4 1 578 62 62 LEU N N 126.962 0.4 1 579 63 63 VAL H H 7.879 0.04 1 580 63 63 VAL HA H 2.791 0.04 1 581 63 63 VAL HB H 1.534 0.04 1 582 63 63 VAL HG1 H 0.132 0.04 2 583 63 63 VAL HG2 H -0.034 0.04 2 584 63 63 VAL C C 176.926 0.4 1 585 63 63 VAL CA C 67.007 0.4 1 586 63 63 VAL CB C 30.936 0.4 1 587 63 63 VAL CG1 C 19.854 0.4 2 588 63 63 VAL CG2 C 22.136 0.4 2 589 63 63 VAL N N 120.106 0.4 1 590 64 64 HIS H H 7.394 0.04 1 591 64 64 HIS HA H 4.013 0.04 1 592 64 64 HIS HB2 H 3.107 0.04 2 593 64 64 HIS HB3 H 3.019 0.04 2 594 64 64 HIS HD2 H 6.946 0.04 1 595 64 64 HIS C C 177.522 0.4 1 596 64 64 HIS CA C 60.076 0.4 1 597 64 64 HIS CB C 30.188 0.4 1 598 64 64 HIS N N 115.536 0.4 1 599 65 65 THR H H 8.188 0.04 1 600 65 65 THR HA H 4.59 0.04 1 601 65 65 THR HB H 3.089 0.04 1 602 65 65 THR C C 175.073 0.4 1 603 65 65 THR CA C 66.753 0.4 1 604 65 65 THR CB C 68.796 0.4 1 605 65 65 THR CG2 C 21.332 0.4 1 606 65 65 THR N N 113.822 0.4 1 607 66 66 ALA H H 8.303 0.04 1 608 66 66 ALA HA H 3.837 0.04 1 609 66 66 ALA HB H 1.331 0.04 1 610 66 66 ALA C C 178.164 0.4 1 611 66 66 ALA CA C 54.169 0.4 1 612 66 66 ALA CB C 18.933 0.4 1 613 66 66 ALA N N 121.249 0.4 1 614 67 67 LYS H H 7.458 0.04 1 615 67 67 LYS HA H 4.034 0.04 1 616 67 67 LYS HB2 H 1.806 0.04 2 617 67 67 LYS HB3 H 1.617 0.04 2 618 67 67 LYS HG2 H 1.245 0.04 1 619 67 67 LYS HG3 H 1.245 0.04 1 620 67 67 LYS HD2 H 1.254 0.04 1 621 67 67 LYS HD3 H 1.254 0.04 1 622 67 67 LYS C C 176.998 0.4 1 623 67 67 LYS CA C 57.663 0.4 1 624 67 67 LYS CB C 33.482 0.4 1 625 67 67 LYS CG C 25.813 0.4 1 626 67 67 LYS N N 114.393 0.4 1 627 68 68 ILE H H 7.276 0.04 1 628 68 68 ILE HA H 4.205 0.04 1 629 68 68 ILE HB H 1.848 0.04 1 630 68 68 ILE HG12 H 1.33 0.04 2 631 68 68 ILE HG13 H 1.2 0.04 2 632 68 68 ILE HG2 H 0.725 0.04 1 633 68 68 ILE HD1 H 0.604 0.04 1 634 68 68 ILE C C 175.207 0.4 1 635 68 68 ILE CA C 60.96 0.4 1 636 68 68 ILE CB C 38.822 0.4 1 637 68 68 ILE CG1 C 25.098 0.4 1 638 68 68 ILE CG2 C 16.863 0.4 1 639 68 68 ILE CD1 C 12.925 0.4 1 640 68 68 ILE N N 117.821 0.4 1 641 69 69 SER H H 8.217 0.04 1 642 69 69 SER C C 174.22 0.4 1 643 69 69 SER CA C 56.968 0.4 1 644 69 69 SER CB C 62.927 0.4 1 645 69 69 SER N N 118.392 0.4 1 646 70 70 PRO HA H 3.846 0.04 1 647 70 70 PRO HB2 H 2.334 0.04 2 648 70 70 PRO HB3 H 1.93 0.04 2 649 70 70 PRO HG2 H 0.902 0.04 2 650 70 70 PRO HG3 H 0.062 0.04 2 651 70 70 PRO C C 178.928 0.4 1 652 70 70 PRO CA C 66.15 0.4 1 653 70 70 PRO CB C 32.007 0.4 1 654 70 70 PRO CG C 27.605 0.4 1 655 71 71 GLN H H 8.499 0.04 1 656 71 71 GLN HA H 4.14 0.04 1 657 71 71 GLN HB2 H 2.117 0.04 1 658 71 71 GLN HB3 H 2.117 0.04 1 659 71 71 GLN HG2 H 2.415 0.04 1 660 71 71 GLN HG3 H 2.415 0.04 1 661 71 71 GLN C C 176.831 0.4 1 662 71 71 GLN CA C 58.066 0.4 1 663 71 71 GLN CB C 27.992 0.4 1 664 71 71 GLN CG C 33.977 0.4 1 665 71 71 GLN N N 114.393 0.4 1 666 72 72 GLN H H 7.966 0.04 1 667 72 72 GLN HA H 4.308 0.04 1 668 72 72 GLN HB2 H 2.228 0.04 2 669 72 72 GLN HB3 H 1.976 0.04 2 670 72 72 GLN HG2 H 2.263 0.04 1 671 72 72 GLN HG3 H 2.263 0.04 1 672 72 72 GLN C C 175.712 0.4 1 673 72 72 GLN CA C 55.486 0.4 1 674 72 72 GLN CB C 29.913 0.4 1 675 72 72 GLN CG C 34.395 0.4 1 676 72 72 GLN N N 116.678 0.4 1 677 73 73 ARG H H 7.279 0.04 1 678 73 73 ARG HA H 4.184 0.04 1 679 73 73 ARG HB2 H 2.006 0.04 2 680 73 73 ARG HB3 H 1.748 0.04 2 681 73 73 ARG HG2 H 1.858 0.04 1 682 73 73 ARG HG3 H 1.858 0.04 1 683 73 73 ARG HD2 H 2.371 0.04 1 684 73 73 ARG HD3 H 2.371 0.04 1 685 73 73 ARG C C 176.107 0.4 1 686 73 73 ARG CA C 57.137 0.4 1 687 73 73 ARG CB C 29.62 0.4 1 688 73 73 ARG CG C 27.887 0.4 1 689 73 73 ARG N N 120.106 0.4 1 690 74 74 ARG H H 8.491 0.04 1 691 74 74 ARG HA H 4.514 0.04 1 692 74 74 ARG HB2 H 1.83 0.04 2 693 74 74 ARG HB3 H 1.696 0.04 2 694 74 74 ARG HG2 H 1.555 0.04 1 695 74 74 ARG HG3 H 1.555 0.04 1 696 74 74 ARG HD2 H 3.142 0.04 1 697 74 74 ARG HD3 H 3.142 0.04 1 698 74 74 ARG C C 176.523 0.4 1 699 74 74 ARG CA C 54.913 0.4 1 700 74 74 ARG CB C 31.907 0.4 1 701 74 74 ARG CG C 26.609 0.4 1 702 74 74 ARG N N 122.391 0.4 1 703 75 75 GLY H H 8.507 0.04 1 704 75 75 GLY HA2 H 3.802 0.04 2 705 75 75 GLY HA3 H 4.02 0.04 2 706 75 75 GLY C C 173.849 0.4 1 707 75 75 GLY CA C 44.253 0.4 1 708 75 75 GLY N N 109.252 0.4 1 709 76 76 GLU H H 8.373 0.04 1 710 76 76 GLU C C 175.373 0.4 1 711 76 76 GLU CA C 54.599 0.4 1 712 76 76 GLU N N 122.391 0.4 1 713 77 77 PRO HA H 4.379 0.04 1 714 77 77 PRO HB2 H 2.153 0.04 2 715 77 77 PRO HB3 H 1.824 0.04 2 716 77 77 PRO C C 173.445 0.4 1 717 77 77 PRO CA C 63.414 0.4 1 718 77 77 PRO CB C 31.835 0.4 1 719 77 77 PRO CG C 27.207 0.4 1 720 78 78 VAL H H 8.317 0.04 1 721 78 78 VAL C C 173.445 0.4 1 722 78 78 VAL CA C 59.373 0.4 1 723 78 78 VAL N N 122.963 0.4 1 724 79 79 PRO HA H 4.375 0.04 1 725 79 79 PRO HB2 H 2.535 0.04 2 726 79 79 PRO HB3 H 1.961 0.04 2 727 79 79 PRO HD2 H 3.793 0.04 2 728 79 79 PRO HD3 H 3.66 0.04 2 729 79 79 PRO C C 177.855 0.4 1 730 79 79 PRO CA C 63.342 0.4 1 731 79 79 PRO CB C 32.659 0.4 1 732 79 79 PRO CG C 27.605 0.4 1 733 79 79 PRO CD C 50.725 0.4 1 734 80 80 GLN H H 9.09 0.04 1 735 80 80 GLN HA H 3.731 0.04 1 736 80 80 GLN HB2 H 2.299 0.04 2 737 80 80 GLN HB3 H 1.945 0.04 2 738 80 80 GLN HG2 H 2.354 0.04 1 739 80 80 GLN HG3 H 2.354 0.04 1 740 80 80 GLN C C 177.461 0.4 1 741 80 80 GLN CA C 58.767 0.4 1 742 80 80 GLN CB C 28.266 0.4 1 743 80 80 GLN CG C 33.38 0.4 1 744 80 80 GLN N N 125.819 0.4 1 745 81 81 GLU H H 9.565 0.04 1 746 81 81 GLU HA H 4.087 0.04 1 747 81 81 GLU HB2 H 1.997 0.04 2 748 81 81 GLU HB3 H 2.028 0.04 2 749 81 81 GLU HG2 H 2.317 0.04 1 750 81 81 GLU HG3 H 2.317 0.04 1 751 81 81 GLU C C 179.407 0.4 1 752 81 81 GLU CA C 60.019 0.4 1 753 81 81 GLU CB C 28.266 0.4 1 754 81 81 GLU CG C 36.267 0.4 1 755 81 81 GLU N N 117.25 0.4 1 756 82 82 LEU H H 7.134 0.04 1 757 82 82 LEU HA H 4.229 0.04 1 758 82 82 LEU HB2 H 1.851 0.04 2 759 82 82 LEU HB3 H 1.434 0.04 2 760 82 82 LEU HG H 1.434 0.04 1 761 82 82 LEU HD1 H 0.946 0.04 2 762 82 82 LEU HD2 H 0.87 0.04 2 763 82 82 LEU C C 178.766 0.4 1 764 82 82 LEU CA C 57.184 0.4 1 765 82 82 LEU CB C 41.686 0.4 1 766 82 82 LEU CG C 26.908 0.4 1 767 82 82 LEU CD1 C 23.904 0.4 2 768 82 82 LEU CD2 C 23.904 0.4 2 769 82 82 LEU N N 118.392 0.4 1 770 83 83 LEU H H 7.6 0.04 1 771 83 83 LEU HA H 3.823 0.04 1 772 83 83 LEU HB2 H 1.971 0.04 2 773 83 83 LEU HB3 H 1.234 0.04 2 774 83 83 LEU HG H 1.554 0.04 1 775 83 83 LEU HD1 H 0.707 0.04 2 776 83 83 LEU HD2 H 0.562 0.04 2 777 83 83 LEU C C 178.79 0.4 1 778 83 83 LEU CA C 57.912 0.4 1 779 83 83 LEU CB C 40.259 0.4 1 780 83 83 LEU CG C 25.713 0.4 1 781 83 83 LEU CD1 C 25.802 0.4 2 782 83 83 LEU CD2 C 21.402 0.4 2 783 83 83 LEU N N 119.535 0.4 1 784 84 84 ASN H H 8.727 0.04 1 785 84 84 ASN HA H 4.427 0.04 1 786 84 84 ASN HB2 H 2.868 0.04 2 787 84 84 ASN HB3 H 2.868 0.04 2 788 84 84 ASN C C 178.335 0.4 1 789 84 84 ASN CA C 55.792 0.4 1 790 84 84 ASN CB C 37.325 0.4 1 791 84 84 ASN N N 117.821 0.4 1 792 85 85 ARG H H 7.434 0.04 1 793 85 85 ARG HA H 4.152 0.04 1 794 85 85 ARG HB2 H 2.157 0.04 1 795 85 85 ARG HB3 H 2.157 0.04 1 796 85 85 ARG HG2 H 2.101 0.04 2 797 85 85 ARG HG3 H 1.888 0.04 2 798 85 85 ARG C C 180.357 0.4 1 799 85 85 ARG CA C 59.681 0.4 1 800 85 85 ARG CB C 31.609 0.4 1 801 85 85 ARG CG C 26.908 0.4 1 802 85 85 ARG N N 120.106 0.4 1 803 86 86 VAL H H 8.425 0.04 1 804 86 86 VAL HA H 3.836 0.04 1 805 86 86 VAL HB H 2.333 0.04 1 806 86 86 VAL HG1 H 0.895 0.04 2 807 86 86 VAL HG2 H 0.061 0.04 2 808 86 86 VAL C C 177.257 0.4 1 809 86 86 VAL CA C 66.582 0.4 1 810 86 86 VAL CB C 31.099 0.4 1 811 86 86 VAL CG1 C 23.113 0.4 2 812 86 86 VAL CG2 C 20.436 0.4 2 813 86 86 VAL N N 122.391 0.4 1 814 87 87 LEU H H 8.099 0.04 1 815 87 87 LEU HA H 4.074 0.04 1 816 87 87 LEU HB2 H 1.755 0.04 2 817 87 87 LEU HB3 H 1.755 0.04 2 818 87 87 LEU HG H 1.702 0.04 1 819 87 87 LEU HD1 H 0.838 0.04 2 820 87 87 LEU HD2 H 0.777 0.04 2 821 87 87 LEU C C 180.721 0.4 1 822 87 87 LEU CA C 58.173 0.4 1 823 87 87 LEU CB C 41.443 0.4 1 824 87 87 LEU CG C 26.781 0.4 1 825 87 87 LEU CD1 C 24.01 0.4 2 826 87 87 LEU CD2 C 23.113 0.4 2 827 87 87 LEU N N 118.964 0.4 1 828 88 88 ASN H H 8.421 0.04 1 829 88 88 ASN HA H 4.594 0.04 1 830 88 88 ASN HB2 H 2.872 0.04 2 831 88 88 ASN HB3 H 2.871 0.04 2 832 88 88 ASN C C 177.91 0.4 1 833 88 88 ASN CA C 56.046 0.4 1 834 88 88 ASN CB C 37.874 0.4 1 835 88 88 ASN N N 118.964 0.4 1 836 89 89 ALA H H 8.557 0.04 1 837 89 89 ALA HA H 4.572 0.04 1 838 89 89 ALA HB H 1.876 0.04 1 839 89 89 ALA C C 179.231 0.4 1 840 89 89 ALA CA C 55.343 0.4 1 841 89 89 ALA CB C 18.11 0.4 1 842 89 89 ALA N N 123.221 0.4 1 843 90 90 HIS H H 9.475 0.04 1 844 90 90 HIS HA H 4.672 0.04 1 845 90 90 HIS HB2 H 3.448 0.04 1 846 90 90 HIS HB3 H 3.448 0.04 1 847 90 90 HIS HD2 H 7.097 0.04 1 848 90 90 HIS C C 179.561 0.4 1 849 90 90 HIS CA C 60.941 0.4 1 850 90 90 HIS CB C 31.835 0.4 1 851 90 90 HIS N N 118.392 0.4 1 852 91 91 GLY H H 8.651 0.04 1 853 91 91 GLY HA2 H 4.049 0.04 2 854 91 91 GLY HA3 H 3.722 0.04 2 855 91 91 GLY C C 175.445 0.4 1 856 91 91 GLY CA C 47.169 0.4 1 857 91 91 GLY N N 106.966 0.4 1 858 92 92 TYR H H 8.206 0.04 1 859 92 92 TYR HA H 4.06 0.04 1 860 92 92 TYR HB2 H 3.074 0.04 2 861 92 92 TYR HB3 H 2.772 0.04 2 862 92 92 TYR HD1 H 6.025 0.04 1 863 92 92 TYR HD2 H 6.025 0.04 1 864 92 92 TYR HE1 H 5.775 0.04 1 865 92 92 TYR HE2 H 5.775 0.04 1 866 92 92 TYR C C 178.179 0.4 1 867 92 92 TYR CA C 61.5 0.4 1 868 92 92 TYR CB C 38.423 0.4 1 869 92 92 TYR CD1 C 132.606 0.4 3 870 92 92 TYR CD2 C 132.606 0.4 3 871 92 92 TYR CE1 C 116.834 0.4 3 872 92 92 TYR CE2 C 116.834 0.4 3 873 92 92 TYR N N 122.931 0.4 1 874 93 93 TRP H H 8.659 0.04 1 875 93 93 TRP HA H 4.337 0.04 1 876 93 93 TRP HB2 H 3.49 0.04 2 877 93 93 TRP HB3 H 3.16 0.04 2 878 93 93 TRP HD1 H 7.286 0.04 1 879 93 93 TRP HE1 H 9.522 0.04 1 880 93 93 TRP HZ2 H 7.324 0.04 1 881 93 93 TRP HZ3 H 7.665 0.04 1 882 93 93 TRP HH2 H 7.204 0.04 1 883 93 93 TRP C C 178.877 0.4 1 884 93 93 TRP CA C 60.06 0.4 1 885 93 93 TRP CB C 29.09 0.4 1 886 93 93 TRP CD1 C 126.86 0.4 1 887 93 93 TRP CZ2 C 114.549 0.4 1 888 93 93 TRP CZ3 C 120.093 0.4 1 889 93 93 TRP CH2 C 124.693 0.4 1 890 93 93 TRP N N 117.821 0.4 1 891 93 93 TRP NE1 N 128.251 0.4 1 892 94 94 THR H H 8.105 0.04 1 893 94 94 THR HA H 4.061 0.04 1 894 94 94 THR HB H 4.133 0.04 1 895 94 94 THR HG2 H 1.128 0.04 1 896 94 94 THR C C 176.062 0.4 1 897 94 94 THR CA C 66.056 0.4 1 898 94 94 THR CB C 68.893 0.4 1 899 94 94 THR CG2 C 21.033 0.4 1 900 94 94 THR N N 114.965 0.4 1 901 95 95 GLN H H 7.571 0.04 1 902 95 95 GLN HA H 4.084 0.04 1 903 95 95 GLN HB2 H 2.037 0.04 1 904 95 95 GLN HB3 H 2.037 0.04 1 905 95 95 GLN HG2 H 2.333 0.04 1 906 95 95 GLN HG3 H 2.333 0.04 1 907 95 95 GLN C C 177.802 0.4 1 908 95 95 GLN CA C 58.128 0.4 1 909 95 95 GLN CB C 28.029 0.4 1 910 95 95 GLN CG C 33.679 0.4 1 911 95 95 GLN N N 120.106 0.4 1 912 96 96 GLN H H 7.912 0.04 1 913 96 96 GLN HA H 3.896 0.04 1 914 96 96 GLN HB2 H 2.085 0.04 2 915 96 96 GLN HB3 H 1.873 0.04 2 916 96 96 GLN HG2 H 1.825 0.04 2 917 96 96 GLN HG3 H 1.825 0.04 2 918 96 96 GLN C C 177.743 0.4 1 919 96 96 GLN CA C 57.641 0.4 1 920 96 96 GLN CB C 28.427 0.4 1 921 96 96 GLN CG C 33.081 0.4 1 922 96 96 GLN N N 118.392 0.4 1 923 97 97 GLN H H 8.033 0.04 1 924 97 97 GLN HA H 4.135 0.04 1 925 97 97 GLN HB2 H 2.124 0.04 1 926 97 97 GLN HB3 H 2.124 0.04 1 927 97 97 GLN HG2 H 2.417 0.04 1 928 97 97 GLN HG3 H 2.417 0.04 1 929 97 97 GLN C C 177.424 0.4 1 930 97 97 GLN CA C 57.37 0.4 1 931 97 97 GLN CB C 28.541 0.4 1 932 97 97 GLN CG C 33.977 0.4 1 933 97 97 GLN N N 118.392 0.4 1 934 98 98 MET H H 7.962 0.04 1 935 98 98 MET HA H 4.308 0.04 1 936 98 98 MET HB2 H 2.543 0.04 2 937 98 98 MET HB3 H 2.079 0.04 2 938 98 98 MET C C 177.362 0.4 1 939 98 98 MET CA C 56.841 0.4 1 940 98 98 MET CB C 32.11 0.4 1 941 98 98 MET N N 118.392 0.4 1 942 99 99 GLN H H 8.08 0.04 1 943 99 99 GLN HA H 4.191 0.04 1 944 99 99 GLN HB2 H 2.058 0.04 1 945 99 99 GLN HB3 H 2.058 0.04 1 946 99 99 GLN HG2 H 2.335 0.04 1 947 99 99 GLN HG3 H 2.335 0.04 1 948 99 99 GLN C C 176.743 0.4 1 949 99 99 GLN CA C 56.876 0.4 1 950 99 99 GLN CB C 28.7 0.4 1 951 99 99 GLN CG C 33.679 0.4 1 952 99 99 GLN N N 118.964 0.4 1 953 100 100 GLN H H 8.081 0.04 1 954 100 100 GLN HA H 4.203 0.04 1 955 100 100 GLN HB2 H 2.077 0.04 1 956 100 100 GLN HB3 H 2.077 0.04 1 957 100 100 GLN HG2 H 2.365 0.04 1 958 100 100 GLN HG3 H 2.365 0.04 1 959 100 100 GLN C C 176.443 0.4 1 960 100 100 GLN CA C 56.53 0.4 1 961 100 100 GLN CB C 28.815 0.4 1 962 100 100 GLN CG C 33.679 0.4 1 963 100 100 GLN N N 119.535 0.4 1 964 101 101 LEU H H 8.022 0.04 1 965 101 101 LEU HA H 4.272 0.04 1 966 101 101 LEU HB2 H 1.563 0.04 1 967 101 101 LEU HB3 H 1.563 0.04 1 968 101 101 LEU HD1 H 0.874 0.04 2 969 101 101 LEU HD2 H 0.817 0.04 2 970 101 101 LEU C C 177.61 0.4 1 971 101 101 LEU CA C 55.583 0.4 1 972 101 101 LEU CB C 42.266 0.4 1 973 101 101 LEU CG C 20.609 0.4 1 974 101 101 LEU CD1 C 24.917 0.4 2 975 101 101 LEU CD2 C 23.025 0.4 2 976 101 101 LEU N N 121.249 0.4 1 977 102 102 GLN H H 8.177 0.04 1 978 102 102 GLN HA H 4.262 0.04 1 979 102 102 GLN HB2 H 2.058 0.04 1 980 102 102 GLN HB3 H 2.058 0.04 1 981 102 102 GLN HG2 H 2.301 0.04 1 982 102 102 GLN HG3 H 2.301 0.04 1 983 102 102 GLN C C 175.794 0.4 1 984 102 102 GLN CA C 55.923 0.4 1 985 102 102 GLN CB C 29.09 0.4 1 986 102 102 GLN N N 119.535 0.4 1 987 103 103 GLN H H 8.276 0.04 1 988 103 103 GLN HA H 4.32 0.04 1 989 103 103 GLN HB2 H 2.01 0.04 2 990 103 103 GLN HB3 H 2.01 0.04 2 991 103 103 GLN HG2 H 2.234 0.04 2 992 103 103 GLN HG3 H 2.234 0.04 2 993 103 103 GLN C C 175.52 0.4 1 994 103 103 GLN CA C 55.771 0.4 1 995 103 103 GLN CB C 29.421 0.4 1 996 103 103 GLN CG C 33.679 0.4 1 997 103 103 GLN N N 120.106 0.4 1 998 104 104 ASN H H 8.471 0.04 1 999 104 104 ASN HA H 4.728 0.04 1 1000 104 104 ASN HB2 H 2.806 0.04 2 1001 104 104 ASN HB3 H 2.702 0.04 2 1002 104 104 ASN C C 174.028 0.4 1 1003 104 104 ASN CA C 53.367 0.4 1 1004 104 104 ASN CB C 38.698 0.4 1 1005 104 104 ASN N N 120.106 0.4 1 1006 105 105 VAL H H 7.665 0.04 1 1007 105 105 VAL HA H 4.011 0.04 1 1008 105 105 VAL HB H 2.05 0.04 1 1009 105 105 VAL HG1 H 0.844 0.04 2 1010 105 105 VAL HG2 H 0.819 0.04 2 1011 105 105 VAL C C 180.889 0.4 1 1012 105 105 VAL CA C 63.657 0.4 1 1013 105 105 VAL CB C 32.801 0.4 1 1014 105 105 VAL CG1 C 21.239 0.4 2 1015 105 105 VAL CG2 C 19.609 0.4 2 1016 105 105 VAL N N 123.534 0.4 1 stop_ save_