data_6353 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the BRCT Region of the large subunit of human Replication Factor C ; _BMRB_accession_number 6353 _BMRB_flat_file_name bmr6353.str _Entry_type original _Submission_date 2004-10-14 _Accession_date 2004-10-14 _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 Kobayashi Masakazu . . 2 Siegal Gregg . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 628 "13C chemical shifts" 321 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-14 update BMRB 'update DNA residue label to two-letter code' 2005-03-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 5041 'chemical shifs of human DNA ligase iiialpha BRCT domain' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C resonance assignments of the BRCT Region of the large subunit of human Replication Factor C ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kobayashi Masakazu . . 2 Siegal Gregg . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183 _Page_last 184 _Year 2005 _Details . loop_ _Keyword 'DNA replication' 'replication factor C' 'BRCT domain' 'DNA binding' stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name 'RFC p140 375-480 BRCT region : DNA complex' _Abbreviation_common 'RFC p140 375-480 BRCT region : DNA complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RFC p140 375-480 BRCT region' $RFC_large_subunit_BRCT_region 'self - annealing hairpin - dsDNA' $self_-_annealing_hairpin_-_dsDNA stop_ _System_molecular_weight 30000 _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details ; The dsDNA is formed by a self annealing single stranded DNA with 3'overhangs. It has a phosphate attached at 5' end, which is important for the DNA binding function of this protein. ; save_ ######################## # Monomeric polymers # ######################## save_RFC_large_subunit_BRCT_region _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RFC p140 BRCT region' _Abbreviation_common 'RFC p140 BRCT region' _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'DNA binding' 'DNA replication' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; KRTNYQAYRSYLNREGPKAL GSKEIPKGAENCLEGLIFVI TGVLESIERDEAKSLIERYG GKVTGNVSKKTNYLVMGRDS GQSKSDKAAALGTKIIDEDG LLNLIR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 375 LYS 2 376 ARG 3 377 THR 4 378 ASN 5 379 TYR 6 380 GLN 7 381 ALA 8 382 TYR 9 383 ARG 10 384 SER 11 385 TYR 12 386 LEU 13 387 ASN 14 388 ARG 15 389 GLU 16 390 GLY 17 391 PRO 18 392 LYS 19 393 ALA 20 394 LEU 21 395 GLY 22 396 SER 23 397 LYS 24 398 GLU 25 399 ILE 26 400 PRO 27 401 LYS 28 402 GLY 29 403 ALA 30 404 GLU 31 405 ASN 32 406 CYS 33 407 LEU 34 408 GLU 35 409 GLY 36 410 LEU 37 411 ILE 38 412 PHE 39 413 VAL 40 414 ILE 41 415 THR 42 416 GLY 43 417 VAL 44 418 LEU 45 419 GLU 46 420 SER 47 421 ILE 48 422 GLU 49 423 ARG 50 424 ASP 51 425 GLU 52 426 ALA 53 427 LYS 54 428 SER 55 429 LEU 56 430 ILE 57 431 GLU 58 432 ARG 59 433 TYR 60 434 GLY 61 435 GLY 62 436 LYS 63 437 VAL 64 438 THR 65 439 GLY 66 440 ASN 67 441 VAL 68 442 SER 69 443 LYS 70 444 LYS 71 445 THR 72 446 ASN 73 447 TYR 74 448 LEU 75 449 VAL 76 450 MET 77 451 GLY 78 452 ARG 79 453 ASP 80 454 SER 81 455 GLY 82 456 GLN 83 457 SER 84 458 LYS 85 459 SER 86 460 ASP 87 461 LYS 88 462 ALA 89 463 ALA 90 464 ALA 91 465 LEU 92 466 GLY 93 467 THR 94 468 LYS 95 469 ILE 96 470 ILE 97 471 ASP 98 472 GLU 99 473 ASP 100 474 GLY 101 475 LEU 102 476 LEU 103 477 ASN 104 478 LEU 105 479 ILE 106 480 ARG 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 2EBU "Solution Structure Of The Brct Domain From Human Replication Factor C Large Subunit 1" 83.96 112 100.00 100.00 9.24e-54 PDB 2K6G "Solution Structure Of The Dna Binding Brct Domain From The Large Subunit Of Human Replication Factor C" 100.00 109 100.00 100.00 4.56e-68 PDB 2K7F "Haddock Calculated Model Of The Complex Between The Brct Region Of Rfc P140 And Dsdna" 100.00 109 100.00 100.00 4.56e-68 DBJ BAE88328 "unnamed protein product [Macaca fascicularis]" 63.21 452 100.00 100.00 4.29e-38 DBJ BAF84301 "unnamed protein product [Homo sapiens]" 100.00 1148 100.00 100.00 2.20e-63 DBJ BAG10592 "replication factor C subunit 1 [synthetic construct]" 100.00 1147 100.00 100.00 2.23e-63 EMBL CAA49475 "LLDBP [Homo sapiens]" 100.00 521 100.00 100.00 2.26e-66 EMBL CAA51260 "replication factor C [Mus musculus]" 100.00 1131 97.17 99.06 1.81e-61 EMBL CAA80355 "PO-GA [Homo sapiens]" 100.00 1147 100.00 100.00 1.96e-63 GB AAA16121 "replication factor C large subunit [Homo sapiens]" 100.00 1148 100.00 100.00 2.36e-63 GB AAA21643 "activator 1 large subunit [Mus musculus]" 100.00 1131 97.17 99.06 1.83e-61 GB AAA79698 "differentiation specific element binding protein [Mus musculus]" 100.00 1130 97.17 99.06 1.65e-61 GB AAA81558 "nonamer binding protein [Mus musculus domesticus]" 100.00 428 97.17 99.06 3.43e-65 GB AAB60452 "replication factor C large subunit [Mus musculus]" 100.00 565 97.17 99.06 3.03e-64 REF NP_001191676 "replication factor C subunit 1 isoform 2 [Homo sapiens]" 100.00 1148 100.00 100.00 2.20e-63 REF NP_002904 "replication factor C subunit 1 isoform 1 [Homo sapiens]" 100.00 1147 100.00 100.00 2.23e-63 REF NP_035388 "replication factor C subunit 1 [Mus musculus]" 100.00 1131 97.17 99.06 1.74e-61 REF XP_001091287 "PREDICTED: replication factor C subunit 1 isoform 3 [Macaca mulatta]" 100.00 1148 100.00 100.00 2.43e-63 REF XP_001140765 "PREDICTED: replication factor C subunit 1 isoform X1 [Pan troglodytes]" 100.00 1148 100.00 100.00 2.69e-63 SP P35251 "RecName: Full=Replication factor C subunit 1; AltName: Full=Activator 1 140 kDa subunit; Short=A1 140 kDa subunit; AltName: Ful" 100.00 1148 100.00 100.00 2.20e-63 SP P35601 "RecName: Full=Replication factor C subunit 1; AltName: Full=A1-P145; AltName: Full=Activator 1 140 kDa subunit; Short=A1 140 kD" 100.00 1131 97.17 99.06 1.81e-61 stop_ save_ save_self_-_annealing_hairpin_-_dsDNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 'self - annealing hairpin - dsDNA' _Abbreviation_common 'self - annealing hairpin - dsDNA' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 28 _Mol_residue_sequence ; CTCGAGGTCGTCATCGACCT CGAGATCA ; loop_ _Residue_seq_code _Residue_label 1 DC 2 DT 3 DC 4 DG 5 DA 6 DG 7 DG 8 DT 9 DC 10 DG 11 DT 12 DC 13 DA 14 DT 15 DC 16 DG 17 DA 18 DC 19 DC 20 DT 21 DC 22 DG 23 DA 24 DG 25 DA 26 DT 27 DC 28 DA 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 _Details $RFC_large_subunit_BRCT_region Human 9606 Eukaryota Metazoa . . . $self_-_annealing_hairpin_-_dsDNA . . . . . . 'The sequence is random (no relation to naturally occuring sequence).' 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 $RFC_large_subunit_BRCT_region 'recombinant technology' 'Eschericia coli' . . 'BL21 DE3+' pLysS $self_-_annealing_hairpin_-_dsDNA 'chemical synthesis' . . . . . 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 $RFC_large_subunit_BRCT_region 0.5 mM '[U-15N; U-13C]' $self_-_annealing_hairpin_-_dsDNA 0.5 mM . Tris-HCl 20 mM . NaCl 5 mM . DTT 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_software _Saveframe_category software _Name XEASY _Version . _Details 'semi-automated resonance assignment program' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details ; 20mM Tris-HCl pH 7.5 5.0mM NaCl 1mM DTT ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.2 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'RFC p140 375-480 BRCT region' _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 . 1 LYS N N 122.3 0.02 1 2 . 1 LYS H H 8.35 0.02 1 3 . 1 LYS CA C 56.8 0.04 1 4 . 1 LYS HA H 4.33 0.02 1 5 . 1 LYS CB C 33.2 0.02 1 6 . 1 LYS HB2 H 1.79 0.02 2 7 . 1 LYS HB3 H 1.86 0.02 2 8 . 1 LYS CG C 25.0 0.02 1 9 . 1 LYS HG2 H 1.46 0.02 1 10 . 1 LYS HG3 H 1.46 0.02 1 11 . 1 LYS CD C 29.1 0.02 1 12 . 1 LYS HD2 H 1.71 0.02 1 13 . 1 LYS HD3 H 1.71 0.02 1 14 . 1 LYS CE C 30.7 0.05 1 15 . 1 LYS HE2 H 3.05 0.02 1 16 . 1 LYS HE3 H 3.05 0.02 1 17 . 2 ARG N N 123.4 0.02 1 18 . 2 ARG H H 8.60 0.02 1 19 . 2 ARG CA C 56.6 0.02 1 20 . 2 ARG HA H 4.38 0.02 1 21 . 2 ARG CB C 30.8 0.02 1 22 . 2 ARG HB2 H 1.80 0.02 2 23 . 2 ARG HB3 H 1.87 0.02 2 24 . 2 ARG CG C 27.2 0.02 1 25 . 2 ARG HG2 H 1.68 0.02 2 26 . 2 ARG HG3 H 1.52 0.02 2 27 . 2 ARG CD C 43.6 0.02 1 28 . 2 ARG HD2 H 3.17 0.02 1 29 . 2 ARG HD3 H 3.17 0.02 1 30 . 3 THR N N 115.7 0.02 1 31 . 3 THR H H 8.28 0.02 1 32 . 3 THR CA C 62.2 0.02 1 33 . 3 THR HA H 4.32 0.02 1 34 . 3 THR CB C 70.1 0.04 1 35 . 3 THR HB H 4.13 0.02 1 36 . 3 THR HG2 H 1.11 0.02 1 37 . 3 THR CG2 C 21.6 0.02 1 38 . 4 ASN N N 122.4 0.02 1 39 . 4 ASN H H 8.57 0.02 1 40 . 4 ASN CA C 53.0 0.02 1 41 . 4 ASN HA H 4.70 0.02 1 42 . 4 ASN CB C 38.2 0.02 1 43 . 4 ASN HB2 H 2.99 0.02 2 44 . 4 ASN HB3 H 2.77 0.02 2 45 . 4 ASN ND2 N 112.9 0.02 1 46 . 4 ASN HD21 H 7.58 0.02 2 47 . 4 ASN HD22 H 6.89 0.02 2 48 . 5 TYR CA C 59.4 0.04 1 49 . 5 TYR HA H 4.46 0.02 1 50 . 5 TYR CB C 38.4 0.02 1 51 . 5 TYR HB2 H 3.18 0.02 2 52 . 5 TYR HB3 H 3.00 0.02 2 53 . 5 TYR HD1 H 7.00 0.02 1 54 . 5 TYR HD2 H 7.00 0.02 1 55 . 5 TYR HE1 H 6.77 0.02 1 56 . 5 TYR HE2 H 6.77 0.02 1 57 . 6 GLN N N 119.4 0.02 1 58 . 6 GLN H H 8.46 0.02 1 59 . 6 GLN CA C 59.2 0.02 1 60 . 6 GLN HA H 3.92 0.02 1 61 . 6 GLN CB C 28.1 0.02 1 62 . 6 GLN HB2 H 2.10 0.02 2 63 . 6 GLN HB3 H 2.16 0.02 2 64 . 6 GLN CG C 33.9 0.02 1 65 . 6 GLN HG2 H 2.44 0.02 1 66 . 6 GLN HG3 H 2.44 0.02 1 67 . 6 GLN NE2 N 112.3 0.02 1 68 . 6 GLN HE21 H 6.94 0.02 2 69 . 6 GLN HE22 H 7.54 0.02 2 70 . 7 ALA N N 122.0 0.03 1 71 . 7 ALA H H 8.21 0.02 1 72 . 7 ALA CA C 54.4 0.02 1 73 . 7 ALA HA H 4.16 0.02 1 74 . 7 ALA HB H 1.53 0.02 1 75 . 7 ALA CB C 18.3 0.02 1 76 . 8 TYR N N 121.0 0.02 1 77 . 8 TYR H H 7.94 0.02 1 78 . 8 TYR CA C 58.8 0.02 1 79 . 8 TYR HA H 4.42 0.02 1 80 . 8 TYR CB C 39.4 0.02 1 81 . 8 TYR HB2 H 2.75 0.02 2 82 . 8 TYR HB3 H 3.14 0.02 2 83 . 8 TYR HD1 H 6.53 0.02 1 84 . 8 TYR HD2 H 6.53 0.02 1 85 . 8 TYR HE1 H 5.89 0.02 1 86 . 8 TYR HE2 H 5.89 0.02 1 87 . 9 ARG N N 117.9 0.02 1 88 . 9 ARG H H 8.16 0.02 1 89 . 9 ARG CA C 59.3 0.02 1 90 . 9 ARG HA H 3.33 0.02 1 91 . 9 ARG CB C 29.2 0.02 1 92 . 9 ARG HB2 H 1.64 0.02 1 93 . 9 ARG HB3 H 1.64 0.02 1 94 . 9 ARG CG C 27.0 0.02 1 95 . 9 ARG HG2 H 1.38 0.02 2 96 . 9 ARG HG3 H 1.56 0.02 2 97 . 9 ARG CD C 43.1 0.02 1 98 . 9 ARG HD2 H 3.04 0.02 1 99 . 9 ARG HD3 H 3.04 0.02 1 100 . 10 SER N N 113.5 0.02 1 101 . 10 SER H H 7.94 0.02 1 102 . 10 SER CA C 61.6 0.04 1 103 . 10 SER HA H 3.94 0.02 1 104 . 10 SER CB C 63.1 0.04 1 105 . 10 SER HB2 H 4.09 0.02 1 106 . 10 SER HB3 H 4.09 0.02 1 107 . 11 TYR N N 124.0 0.02 1 108 . 11 TYR H H 7.52 0.02 1 109 . 11 TYR CA C 60.8 0.02 1 110 . 11 TYR HA H 4.06 0.02 1 111 . 11 TYR CB C 37.3 0.02 1 112 . 11 TYR HB2 H 3.28 0.02 2 113 . 11 TYR HB3 H 3.03 0.02 2 114 . 11 TYR HD1 H 6.66 0.02 1 115 . 11 TYR HD2 H 6.66 0.02 1 116 . 12 LEU N N 119.3 0.02 1 117 . 12 LEU H H 8.00 0.02 1 118 . 12 LEU CA C 56.7 0.02 1 119 . 12 LEU HA H 3.33 0.02 1 120 . 12 LEU CB C 42.1 0.05 1 121 . 12 LEU HB2 H 1.31 0.02 2 122 . 12 LEU HB3 H 0.91 0.02 2 123 . 12 LEU CG C 25.8 0.02 1 124 . 12 LEU HG H 0.82 0.02 1 125 . 12 LEU HD1 H -0.24 0.02 2 126 . 12 LEU HD2 H 0.41 0.02 2 127 . 12 LEU CD1 C 24.3 0.02 1 128 . 12 LEU CD2 C 21.5 0.02 1 129 . 13 ASN N N 113.8 0.02 1 130 . 13 ASN H H 7.22 0.02 1 131 . 13 ASN CA C 52.8 0.02 1 132 . 13 ASN HA H 4.61 0.02 1 133 . 13 ASN CB C 39.8 0.02 1 134 . 13 ASN HB2 H 2.81 0.02 2 135 . 13 ASN HB3 H 2.54 0.02 2 136 . 13 ASN ND2 N 112.5 0.02 1 137 . 13 ASN HD21 H 6.89 0.02 2 138 . 13 ASN HD22 H 7.43 0.02 2 139 . 14 ARG N N 122.1 0.02 1 140 . 14 ARG H H 7.22 0.02 1 141 . 14 ARG CA C 56.7 0.02 1 142 . 14 ARG HA H 4.24 0.02 1 143 . 14 ARG CB C 30.8 0.02 1 144 . 14 ARG HB2 H 1.88 0.02 1 145 . 14 ARG HB3 H 1.88 0.02 1 146 . 14 ARG HG2 H 1.37 0.02 1 147 . 14 ARG HG3 H 1.37 0.02 1 148 . 14 ARG HD2 H 3.33 0.02 1 149 . 14 ARG HD3 H 3.33 0.02 1 150 . 15 GLU N N 125.8 0.03 1 151 . 15 GLU H H 9.00 0.02 1 152 . 15 GLU CA C 56.6 0.02 1 153 . 15 GLU HA H 4.23 0.02 1 154 . 15 GLU CB C 30.8 0.02 1 155 . 15 GLU HB2 H 2.11 0.02 2 156 . 15 GLU HB3 H 1.95 0.02 2 157 . 15 GLU CG C 36.9 0.02 1 158 . 15 GLU HG2 H 2.38 0.02 1 159 . 15 GLU HG3 H 2.38 0.02 1 160 . 16 GLY N N 109.8 0.03 1 161 . 16 GLY H H 8.55 0.02 1 162 . 16 GLY CA C 45.3 0.02 1 163 . 16 GLY HA2 H 3.85 0.02 2 164 . 16 GLY HA3 H 4.25 0.02 2 165 . 17 PRO CD C 49.6 0.02 1 166 . 17 PRO CA C 64.4 0.02 1 167 . 17 PRO HA H 4.09 0.02 1 168 . 17 PRO CB C 32.8 0.02 1 169 . 17 PRO HB2 H 1.56 0.02 2 170 . 17 PRO HB3 H 2.49 0.02 2 171 . 17 PRO CG C 28.0 0.02 1 172 . 17 PRO HG2 H 1.80 0.02 2 173 . 17 PRO HG3 H 2.15 0.02 2 174 . 17 PRO HD2 H 3.62 0.02 1 175 . 17 PRO HD3 H 3.62 0.02 1 176 . 18 LYS N N 123.0 0.02 1 177 . 18 LYS H H 9.22 0.02 1 178 . 18 LYS CA C 57.5 0.02 1 179 . 18 LYS HA H 4.31 0.02 1 180 . 18 LYS CB C 33.8 0.02 1 181 . 18 LYS HB2 H 1.99 0.02 2 182 . 18 LYS HB3 H 1.53 0.02 2 183 . 18 LYS CG C 25.5 0.02 1 184 . 18 LYS HG2 H 1.66 0.02 1 185 . 18 LYS HG3 H 1.66 0.02 1 186 . 18 LYS CD C 29.3 0.02 1 187 . 18 LYS HD2 H 1.63 0.02 1 188 . 18 LYS HD3 H 1.63 0.02 1 189 . 18 LYS CE C 42.3 0.04 1 190 . 18 LYS HE2 H 2.91 0.02 1 191 . 18 LYS HE3 H 2.91 0.02 1 192 . 19 ALA N N 127.3 0.02 1 193 . 19 ALA H H 9.00 0.02 1 194 . 19 ALA CA C 50.4 0.02 1 195 . 19 ALA HA H 4.80 0.02 1 196 . 19 ALA HB H 1.08 0.02 1 197 . 19 ALA CB C 19.0 0.02 1 198 . 20 LEU N N 123.2 0.03 1 199 . 20 LEU H H 8.46 0.02 1 200 . 20 LEU CA C 56.9 0.02 1 201 . 20 LEU HA H 3.99 0.02 1 202 . 20 LEU CB C 41.4 0.02 1 203 . 20 LEU HB2 H 1.68 0.02 2 204 . 20 LEU HB3 H 1.46 0.02 2 205 . 20 LEU HG H 1.55 0.02 1 206 . 20 LEU HD1 H 0.77 0.02 2 207 . 20 LEU HD2 H 0.94 0.02 2 208 . 20 LEU CD1 C 23.8 0.02 1 209 . 20 LEU CD2 C 25.4 0.02 1 210 . 21 GLY N N 111.8 0.02 1 211 . 21 GLY H H 8.74 0.02 1 212 . 21 GLY CA C 46.3 0.02 1 213 . 21 GLY HA2 H 4.16 0.02 2 214 . 21 GLY HA3 H 4.00 0.02 2 215 . 22 SER N N 113.3 0.02 1 216 . 22 SER H H 7.95 0.02 1 217 . 22 SER CA C 60.0 0.02 1 218 . 22 SER HA H 4.19 0.02 1 219 . 22 SER CB C 63.7 0.02 1 220 . 22 SER HB2 H 3.96 0.02 2 221 . 22 SER HB3 H 3.80 0.02 2 222 . 23 LYS N N 121.6 0.02 1 223 . 23 LYS H H 7.89 0.02 1 224 . 23 LYS CA C 55.3 0.02 1 225 . 23 LYS HA H 4.62 0.02 1 226 . 23 LYS CB C 35.1 0.02 1 227 . 23 LYS HB2 H 1.47 0.02 2 228 . 23 LYS HB3 H 1.60 0.02 2 229 . 23 LYS CG C 25.6 0.02 1 230 . 23 LYS HG2 H 1.39 0.02 1 231 . 23 LYS HG3 H 1.39 0.02 1 232 . 23 LYS CD C 29.4 0.04 1 233 . 23 LYS HD2 H 1.43 0.02 1 234 . 23 LYS HD3 H 1.43 0.02 1 235 . 24 GLU N N 124.3 0.04 1 236 . 24 GLU H H 8.52 0.02 1 237 . 24 GLU CA C 56.3 0.02 1 238 . 24 GLU HA H 4.04 0.02 1 239 . 24 GLU CB C 30.2 0.02 1 240 . 24 GLU HB2 H 1.89 0.02 2 241 . 24 GLU HB3 H 1.83 0.02 2 242 . 24 GLU CG C 36.2 0.02 1 243 . 24 GLU HG2 H 1.97 0.03 2 244 . 24 GLU HG3 H 2.23 0.03 2 245 . 25 ILE N N 128.2 0.02 1 246 . 25 ILE H H 8.63 0.02 1 247 . 25 ILE CA C 56.7 0.02 1 248 . 25 ILE HA H 4.40 0.02 1 249 . 25 ILE CB C 36.6 0.02 1 250 . 25 ILE HB H 2.00 0.02 1 251 . 25 ILE HG2 H 0.96 0.02 1 252 . 25 ILE CG2 C 17.5 0.04 1 253 . 25 ILE CG1 C 26.7 0.02 1 254 . 25 ILE HG12 H 1.52 0.02 2 255 . 25 ILE HG13 H 1.45 0.02 2 256 . 25 ILE HD1 H 0.73 0.02 1 257 . 25 ILE CD1 C 10.4 0.02 1 258 . 26 PRO CD C 51.6 0.02 1 259 . 26 PRO CA C 68.2 0.02 1 260 . 26 PRO HA H 4.42 0.02 1 261 . 26 PRO CB C 32.7 0.02 1 262 . 26 PRO HB2 H 1.63 0.03 2 263 . 26 PRO HB3 H 2.12 0.03 2 264 . 26 PRO CG C 26.6 0.02 1 265 . 26 PRO HG2 H 1.91 0.02 2 266 . 26 PRO HG3 H 2.02 0.02 2 267 . 26 PRO HD2 H 4.01 0.02 2 268 . 26 PRO HD3 H 3.56 0.02 2 269 . 27 LYS N N 120.1 0.04 1 270 . 27 LYS H H 8.26 0.02 1 271 . 27 LYS CA C 55.7 0.02 1 272 . 27 LYS HA H 4.35 0.02 1 273 . 27 LYS CB C 32.7 0.02 1 274 . 27 LYS HB2 H 1.85 0.02 2 275 . 27 LYS HB3 H 1.74 0.02 2 276 . 27 LYS CG C 25.0 0.02 1 277 . 27 LYS HG2 H 1.53 0.02 2 278 . 27 LYS HG3 H 1.46 0.02 2 279 . 27 LYS CD C 29.1 0.02 1 280 . 27 LYS HD2 H 1.73 0.02 1 281 . 27 LYS HD3 H 1.73 0.02 1 282 . 27 LYS CE C 42.3 0.04 1 283 . 27 LYS HE2 H 3.06 0.02 1 284 . 27 LYS HE3 H 3.06 0.02 1 285 . 28 GLY N N 110.9 0.02 1 286 . 28 GLY H H 7.42 0.02 1 287 . 28 GLY CA C 44.6 0.02 1 288 . 28 GLY HA2 H 3.07 0.02 2 289 . 28 GLY HA3 H 4.34 0.02 2 290 . 29 ALA N N 123.4 0.02 1 291 . 29 ALA H H 8.58 0.03 1 292 . 29 ALA CA C 51.7 0.02 1 293 . 29 ALA HA H 4.35 0.02 1 294 . 29 ALA HB H 1.38 0.02 1 295 . 29 ALA CB C 19.2 0.02 1 296 . 30 GLU N N 120.7 0.03 1 297 . 30 GLU H H 8.55 0.02 1 298 . 30 GLU CA C 58.0 0.02 1 299 . 30 GLU HA H 4.15 0.02 1 300 . 30 GLU CB C 29.6 0.02 1 301 . 30 GLU HB2 H 2.02 0.02 1 302 . 30 GLU HB3 H 2.02 0.02 1 303 . 30 GLU CG C 36.2 0.02 1 304 . 30 GLU HG2 H 2.38 0.02 1 305 . 30 GLU HG3 H 2.38 0.02 1 306 . 31 ASN N N 117.7 0.02 1 307 . 31 ASN H H 9.35 0.02 1 308 . 31 ASN CA C 54.3 0.02 1 309 . 31 ASN HA H 4.52 0.02 1 310 . 31 ASN CB C 38.1 0.02 1 311 . 31 ASN HB2 H 3.17 0.02 2 312 . 31 ASN HB3 H 2.84 0.02 2 313 . 31 ASN ND2 N 112.5 0.02 1 314 . 31 ASN HD21 H 7.58 0.03 2 315 . 31 ASN HD22 H 6.87 0.03 2 316 . 32 CYS N N 114.6 0.02 1 317 . 32 CYS H H 7.93 0.02 1 318 . 32 CYS CA C 60.8 0.02 1 319 . 32 CYS HA H 4.35 0.02 1 320 . 32 CYS CB C 27.9 0.02 1 321 . 32 CYS HB2 H 3.05 0.02 1 322 . 32 CYS HB3 H 3.05 0.02 1 323 . 33 LEU N N 118.5 0.02 1 324 . 33 LEU H H 8.58 0.02 1 325 . 33 LEU CA C 53.4 0.02 1 326 . 33 LEU HA H 4.77 0.02 1 327 . 33 LEU CB C 40.3 0.02 1 328 . 33 LEU HB2 H 1.85 0.02 2 329 . 33 LEU HB3 H 1.58 0.02 2 330 . 33 LEU CG C 26.2 0.02 1 331 . 33 LEU HG H 0.82 0.02 1 332 . 33 LEU CD1 C 22.6 0.02 1 333 . 33 LEU HD1 H 0.72 0.02 1 334 . 33 LEU HD2 H 0.72 0.02 1 335 . 34 GLU N N 119.0 0.02 1 336 . 34 GLU H H 7.36 0.02 1 337 . 34 GLU CA C 58.5 0.02 1 338 . 34 GLU HA H 3.99 0.02 1 339 . 34 GLU CB C 29.4 0.02 1 340 . 34 GLU HB2 H 2.19 0.02 2 341 . 34 GLU HB3 H 1.98 0.02 2 342 . 34 GLU HG2 H 2.31 0.02 1 343 . 34 GLU HG3 H 2.31 0.02 1 344 . 35 GLY N N 113.9 0.02 1 345 . 35 GLY H H 8.28 0.02 1 346 . 35 GLY CA C 45.5 0.02 1 347 . 35 GLY HA2 H 3.72 0.02 2 348 . 35 GLY HA3 H 4.26 0.02 2 349 . 36 LEU N N 120.7 0.02 1 350 . 36 LEU H H 8.10 0.02 1 351 . 36 LEU CA C 54.1 0.02 1 352 . 36 LEU HA H 4.71 0.02 1 353 . 36 LEU CB C 45.4 0.02 1 354 . 36 LEU HB2 H 2.38 0.02 1 355 . 36 LEU HB3 H 2.38 0.02 1 356 . 36 LEU HG H 1.54 0.02 1 357 . 36 LEU HD1 H 0.80 0.02 2 358 . 36 LEU HD2 H 1.04 0.02 2 359 . 36 LEU CD1 C 22.9 0.02 1 360 . 36 LEU CD2 C 26.3 0.02 1 361 . 37 ILE N N 123.3 0.02 1 362 . 37 ILE H H 9.35 0.02 1 363 . 37 ILE CA C 61.0 0.02 1 364 . 37 ILE HA H 5.02 0.02 1 365 . 37 ILE CB C 39.3 0.02 1 366 . 37 ILE HB H 1.90 0.02 1 367 . 37 ILE HG2 H 0.94 0.02 1 368 . 37 ILE CG2 C 19.3 0.02 1 369 . 37 ILE CG1 C 28.2 0.02 1 370 . 37 ILE HG12 H 1.05 0.02 2 371 . 37 ILE HG13 H 1.70 0.02 2 372 . 37 ILE HD1 H 0.90 0.02 1 373 . 37 ILE CD1 C 13.5 0.02 1 374 . 38 PHE N N 127.8 0.02 1 375 . 38 PHE H H 9.77 0.02 1 376 . 38 PHE CA C 56.4 0.02 1 377 . 38 PHE HA H 5.71 0.02 1 378 . 38 PHE CB C 43.7 0.02 1 379 . 38 PHE HB2 H 3.08 0.02 2 380 . 38 PHE HB3 H 2.75 0.02 2 381 . 38 PHE HD1 H 7.18 0.02 1 382 . 38 PHE HD2 H 7.18 0.02 1 383 . 38 PHE HE1 H 6.89 0.02 1 384 . 38 PHE HE2 H 6.89 0.02 1 385 . 39 VAL N N 119.6 0.02 1 386 . 39 VAL H H 8.32 0.02 1 387 . 39 VAL CA C 61.3 0.02 1 388 . 39 VAL HA H 4.60 0.02 1 389 . 39 VAL CB C 35.6 0.02 1 390 . 39 VAL HB H 1.64 0.02 1 391 . 39 VAL HG1 H 0.76 0.02 2 392 . 39 VAL HG2 H 0.80 0.02 2 393 . 39 VAL CG1 C 21.2 0.02 1 394 . 39 VAL CG2 C 22.7 0.02 1 395 . 40 ILE N N 127.7 0.02 1 396 . 40 ILE H H 9.18 0.02 1 397 . 40 ILE CA C 60.7 0.02 1 398 . 40 ILE HA H 4.95 0.02 1 399 . 40 ILE CB C 40.2 0.02 1 400 . 40 ILE HB H 1.55 0.02 1 401 . 40 ILE HG2 H 0.77 0.02 1 402 . 40 ILE CG2 C 14.3 0.02 1 403 . 40 ILE CG1 C 27.1 0.02 1 404 . 40 ILE HG12 H 1.60 0.02 1 405 . 40 ILE HG13 H 1.60 0.02 1 406 . 40 ILE HD1 H 0.84 0.02 1 407 . 40 ILE CD1 C 18.2 0.02 1 408 . 41 THR N N 120.7 0.03 1 409 . 41 THR H H 9.04 0.02 1 410 . 41 THR CA C 59.4 0.02 1 411 . 41 THR HA H 5.17 0.02 1 412 . 41 THR CB C 70.5 0.02 1 413 . 41 THR HB H 3.88 0.02 1 414 . 41 THR HG2 H 1.22 0.02 1 415 . 41 THR CG2 C 20.0 0.02 1 416 . 42 GLY N N 114.6 0.02 1 417 . 42 GLY H H 9.94 0.02 1 418 . 42 GLY CA C 44.0 0.02 1 419 . 42 GLY HA2 H 3.81 0.02 2 420 . 42 GLY HA3 H 3.65 0.02 2 421 . 43 VAL N N 120.0 0.02 1 422 . 43 VAL H H 9.59 0.02 1 423 . 43 VAL CA C 63.2 0.02 1 424 . 43 VAL HA H 3.84 0.02 1 425 . 43 VAL CB C 34.5 0.02 1 426 . 43 VAL HB H 1.74 0.02 1 427 . 43 VAL HG1 H 0.88 0.02 2 428 . 43 VAL HG2 H 0.83 0.02 2 429 . 43 VAL CG1 C 20.3 0.02 1 430 . 43 VAL CG2 C 21.1 0.02 1 431 . 44 LEU N N 131.1 0.02 1 432 . 44 LEU H H 8.62 0.02 1 433 . 44 LEU CA C 53.8 0.02 1 434 . 44 LEU HA H 4.53 0.02 1 435 . 44 LEU CB C 37.9 0.02 1 436 . 44 LEU HB2 H 2.19 0.02 2 437 . 44 LEU HB3 H 1.77 0.02 2 438 . 44 LEU CG C 26.9 0.02 1 439 . 44 LEU HG H 1.70 0.02 1 440 . 44 LEU HD1 H 0.60 0.02 2 441 . 44 LEU HD2 H 0.67 0.02 2 442 . 44 LEU CD1 C 21.8 0.02 1 443 . 44 LEU CD2 C 25.1 0.02 1 444 . 45 GLU N N 118.6 0.04 1 445 . 45 GLU H H 8.44 0.02 1 446 . 45 GLU CA C 57.5 0.02 1 447 . 45 GLU HA H 4.57 0.02 1 448 . 45 GLU CB C 29.9 0.02 1 449 . 45 GLU HB2 H 2.00 0.02 2 450 . 45 GLU HB3 H 2.26 0.04 2 451 . 45 GLU CG C 34.8 0.02 1 452 . 45 GLU HG2 H 2.48 0.02 2 453 . 45 GLU HG3 H 2.38 0.02 2 454 . 46 SER N N 111.6 0.02 1 455 . 46 SER H H 10.16 0.02 1 456 . 46 SER CA C 57.4 0.03 1 457 . 46 SER HA H 4.94 0.02 1 458 . 46 SER CB C 65.3 0.02 1 459 . 46 SER HB2 H 3.80 0.02 2 460 . 46 SER HB3 H 3.69 0.02 2 461 . 47 ILE N N 119.8 0.02 1 462 . 47 ILE H H 7.17 0.02 1 463 . 47 ILE CA C 60.1 0.02 1 464 . 47 ILE HA H 4.41 0.02 1 465 . 47 ILE CB C 42.3 0.02 1 466 . 47 ILE HB H 1.66 0.02 1 467 . 47 ILE HG2 H 0.88 0.02 1 468 . 47 ILE CG2 C 16.8 0.02 1 469 . 47 ILE CG1 C 26.6 0.02 1 470 . 47 ILE HG12 H 1.17 0.02 2 471 . 47 ILE HG13 H 1.58 0.02 2 472 . 47 ILE HD1 H 0.66 0.02 1 473 . 47 ILE CD1 C 13.6 0.02 1 474 . 48 GLU N N 123.8 0.03 1 475 . 48 GLU H H 8.88 0.02 1 476 . 48 GLU CA C 56.7 0.02 1 477 . 48 GLU HA H 4.23 0.02 1 478 . 48 GLU CB C 30.8 0.02 1 479 . 48 GLU HB2 H 1.94 0.02 1 480 . 48 GLU HB3 H 1.94 0.02 1 481 . 48 GLU CG C 36.8 0.02 1 482 . 48 GLU HG2 H 2.56 0.02 2 483 . 48 GLU HG3 H 2.35 0.02 2 484 . 49 ARG N N 124.0 0.02 1 485 . 49 ARG H H 8.92 0.02 1 486 . 49 ARG CA C 60.1 0.02 1 487 . 49 ARG HA H 3.84 0.02 1 488 . 49 ARG HB2 H 1.93 0.02 1 489 . 49 ARG HB3 H 1.93 0.02 1 490 . 49 ARG HG2 H 1.53 0.02 1 491 . 49 ARG HG3 H 1.53 0.02 1 492 . 49 ARG HD2 H 3.26 0.02 1 493 . 49 ARG HD3 H 3.26 0.02 1 494 . 49 ARG NE N 81.2 0.02 1 495 . 49 ARG HE H 7.81 0.02 1 496 . 50 ASP N N 116.3 0.02 1 497 . 50 ASP H H 8.98 0.02 1 498 . 50 ASP CA C 57.6 0.02 1 499 . 50 ASP HA H 4.37 0.02 1 500 . 50 ASP CB C 39.8 0.02 1 501 . 50 ASP HB2 H 2.68 0.02 1 502 . 50 ASP HB3 H 2.68 0.02 1 503 . 51 GLU N N 121.0 0.02 1 504 . 51 GLU H H 7.05 0.02 1 505 . 51 GLU CA C 51.1 0.02 1 506 . 51 GLU HA H 4.18 0.02 1 507 . 51 GLU CB C 29.7 0.02 1 508 . 51 GLU HB2 H 2.08 0.02 2 509 . 51 GLU HB3 H 2.24 0.02 2 510 . 51 GLU CG C 36.3 0.02 1 511 . 51 GLU HG2 H 2.39 0.02 2 512 . 51 GLU HG3 H 2.25 0.02 2 513 . 52 ALA N N 124.3 0.02 1 514 . 52 ALA H H 8.55 0.02 1 515 . 52 ALA CA C 55.4 0.02 1 516 . 52 ALA HA H 3.86 0.02 1 517 . 52 ALA HB H 1.28 0.02 1 518 . 52 ALA CB C 17.3 0.02 1 519 . 53 LYS N N 117.2 0.02 1 520 . 53 LYS H H 8.23 0.02 1 521 . 53 LYS CA C 60.2 0.02 1 522 . 53 LYS HA H 3.85 0.02 1 523 . 53 LYS CB C 32.7 0.02 1 524 . 53 LYS HB2 H 1.99 0.02 2 525 . 53 LYS HB3 H 1.80 0.02 2 526 . 53 LYS CG C 24.9 0.02 1 527 . 53 LYS HG2 H 1.53 0.02 1 528 . 53 LYS HG3 H 1.53 0.02 1 529 . 53 LYS CD C 30.0 0.02 1 530 . 53 LYS HD2 H 1.75 0.02 1 531 . 53 LYS HD3 H 1.75 0.02 1 532 . 53 LYS CE C 42.0 0.04 1 533 . 53 LYS HE2 H 3.00 0.02 1 534 . 53 LYS HE3 H 3.00 0.02 1 535 . 54 SER N N 113.0 0.02 1 536 . 54 SER H H 7.90 0.02 1 537 . 54 SER CA C 61.6 0.02 1 538 . 54 SER HA H 4.23 0.02 1 539 . 54 SER CB C 62.8 0.02 1 540 . 54 SER HB2 H 3.98 0.02 2 541 . 54 SER HB3 H 3.92 0.02 2 542 . 55 LEU N N 124.7 0.02 1 543 . 55 LEU H H 8.13 0.02 1 544 . 55 LEU CA C 58.3 0.02 1 545 . 55 LEU HA H 4.00 0.02 1 546 . 55 LEU CB C 42.2 0.02 1 547 . 55 LEU HB2 H 2.00 0.02 2 548 . 55 LEU HB3 H 1.62 0.02 2 549 . 55 LEU CG C 26.9 0.02 1 550 . 55 LEU HG H 1.49 0.02 1 551 . 55 LEU HD1 H 0.74 0.02 2 552 . 55 LEU HD2 H 1.01 0.02 2 553 . 55 LEU CD1 C 25.5 0.02 1 554 . 55 LEU CD2 C 24.3 0.02 1 555 . 56 ILE N N 117.2 0.03 1 556 . 56 ILE H H 7.62 0.02 1 557 . 56 ILE CA C 65.1 0.02 1 558 . 56 ILE HA H 3.27 0.02 1 559 . 56 ILE CB C 38.2 0.02 1 560 . 56 ILE HB H 1.55 0.02 1 561 . 56 ILE HG2 H 0.30 0.02 1 562 . 56 ILE CG2 C 19.1 0.02 1 563 . 56 ILE CG1 C 29.9 0.02 1 564 . 56 ILE HG12 H 1.46 0.02 2 565 . 56 ILE HG13 H -0.13 0.02 2 566 . 56 ILE HD1 H 0.21 0.02 1 567 . 56 ILE CD1 C 13.6 0.02 1 568 . 57 GLU N N 118.4 0.03 1 569 . 57 GLU H H 8.21 0.02 1 570 . 57 GLU CA C 52.1 0.02 1 571 . 57 GLU HA H 4.36 0.02 1 572 . 57 GLU CB C 31.2 0.02 1 573 . 57 GLU HB2 H 2.05 0.02 1 574 . 57 GLU HB3 H 2.05 0.02 1 575 . 57 GLU CG C 36.8 0.02 1 576 . 57 GLU HG2 H 2.35 0.02 2 577 . 57 GLU HG3 H 2.56 0.02 2 578 . 58 ARG N N 123.2 0.02 1 579 . 58 ARG H H 8.49 0.02 1 580 . 58 ARG CA C 58.7 0.02 1 581 . 58 ARG HA H 4.03 0.02 1 582 . 58 ARG CB C 29.1 0.02 1 583 . 58 ARG HB2 H 1.96 0.02 2 584 . 58 ARG HB3 H 1.83 0.02 2 585 . 58 ARG CG C 26.7 0.02 1 586 . 58 ARG HG2 H 1.22 0.02 1 587 . 58 ARG HG3 H 1.22 0.02 1 588 . 58 ARG CD C 43.7 0.02 1 589 . 58 ARG HD2 H 2.92 0.02 2 590 . 58 ARG HD3 H 2.86 0.02 2 591 . 59 TYR N N 116.0 0.02 1 592 . 59 TYR H H 7.13 0.02 1 593 . 59 TYR CA C 58.9 0.02 1 594 . 59 TYR HA H 4.76 0.02 1 595 . 59 TYR CB C 38.7 0.02 1 596 . 59 TYR HB2 H 3.94 0.02 2 597 . 59 TYR HB3 H 2.50 0.02 2 598 . 59 TYR HD1 H 7.39 0.02 1 599 . 59 TYR HD2 H 7.39 0.02 1 600 . 59 TYR HE1 H 6.69 0.02 1 601 . 59 TYR HE2 H 6.69 0.02 1 602 . 60 GLY N N 107.0 0.02 1 603 . 60 GLY H H 7.91 0.02 1 604 . 60 GLY CA C 45.9 0.02 1 605 . 60 GLY HA2 H 3.85 0.02 2 606 . 60 GLY HA3 H 4.31 0.02 2 607 . 61 GLY N N 109.8 0.02 1 608 . 61 GLY H H 8.24 0.02 1 609 . 61 GLY CA C 44.9 0.02 1 610 . 61 GLY HA2 H 4.37 0.02 2 611 . 61 GLY HA3 H 3.34 0.02 2 612 . 62 LYS N N 119.5 0.02 1 613 . 62 LYS H H 8.53 0.02 1 614 . 62 LYS CA C 54.6 0.02 1 615 . 62 LYS HA H 4.98 0.02 1 616 . 62 LYS CB C 36.1 0.02 1 617 . 62 LYS HB2 H 1.87 0.02 1 618 . 62 LYS HB3 H 1.87 0.02 1 619 . 62 LYS CG C 25.2 0.02 1 620 . 62 LYS HG2 H 1.51 0.02 2 621 . 62 LYS HG3 H 1.41 0.02 2 622 . 62 LYS CD C 29.3 0.02 1 623 . 62 LYS HD2 H 1.73 0.02 1 624 . 62 LYS HD3 H 1.73 0.02 1 625 . 62 LYS CE C 42.4 0.04 1 626 . 62 LYS HE2 H 2.99 0.03 1 627 . 62 LYS HE3 H 2.99 0.03 1 628 . 63 VAL N N 125.6 0.02 1 629 . 63 VAL H H 9.27 0.02 1 630 . 63 VAL CA C 60.4 0.02 1 631 . 63 VAL HA H 5.56 0.02 1 632 . 63 VAL CB C 33.5 0.02 1 633 . 63 VAL HB H 1.94 0.02 1 634 . 63 VAL HG1 H 0.98 0.02 2 635 . 63 VAL HG2 H 1.03 0.02 2 636 . 63 VAL CG1 C 23.4 0.02 1 637 . 63 VAL CG2 C 22.2 0.02 1 638 . 64 THR N N 120.1 0.02 1 639 . 64 THR H H 9.10 0.02 1 640 . 64 THR CA C 59.7 0.02 1 641 . 64 THR HA H 5.11 0.02 1 642 . 64 THR CB C 71.4 0.02 1 643 . 64 THR HB H 4.61 0.02 1 644 . 64 THR HG2 H 1.29 0.02 1 645 . 64 THR CG2 C 21.3 0.02 1 646 . 65 GLY N N 106.1 0.02 1 647 . 65 GLY H H 9.23 0.02 1 648 . 65 GLY CA C 45.2 0.02 1 649 . 65 GLY HA2 H 3.81 0.02 2 650 . 65 GLY HA3 H 4.62 0.02 2 651 . 66 ASN N N 118.2 0.02 1 652 . 66 ASN H H 7.91 0.02 1 653 . 66 ASN CA C 52.2 0.02 1 654 . 66 ASN HA H 4.94 0.02 1 655 . 66 ASN CB C 42.6 0.02 1 656 . 66 ASN HB2 H 2.80 0.02 2 657 . 66 ASN HB3 H 2.18 0.02 2 658 . 66 ASN ND2 N 117.1 0.02 1 659 . 66 ASN HD21 H 7.42 0.02 2 660 . 66 ASN HD22 H 8.71 0.02 2 661 . 67 VAL N N 125.3 0.03 1 662 . 67 VAL H H 8.69 0.02 1 663 . 67 VAL CA C 63.2 0.02 1 664 . 67 VAL HA H 4.07 0.02 1 665 . 67 VAL CB C 31.6 0.02 1 666 . 67 VAL HB H 1.92 0.02 1 667 . 67 VAL HG1 H 1.01 0.02 2 668 . 67 VAL HG2 H 0.82 0.02 2 669 . 67 VAL CG1 C 22.8 0.02 1 670 . 67 VAL CG2 C 22.0 0.02 1 671 . 68 SER N N 125.6 0.02 1 672 . 68 SER H H 9.37 0.02 1 673 . 68 SER CA C 57.3 0.02 1 674 . 68 SER HA H 4.67 0.02 1 675 . 68 SER CB C 66.6 0.02 1 676 . 68 SER HB2 H 5.01 0.02 1 677 . 68 SER HB3 H 5.01 0.02 1 678 . 69 LYS N N 120.9 0.02 1 679 . 69 LYS H H 9.22 0.02 1 680 . 69 LYS CA C 59.5 0.02 1 681 . 69 LYS HA H 4.05 0.02 1 682 . 69 LYS CB C 32.1 0.02 1 683 . 69 LYS HB2 H 2.08 0.02 2 684 . 69 LYS HB3 H 1.97 0.02 2 685 . 69 LYS CG C 25.8 0.05 1 686 . 69 LYS HG2 H 1.64 0.03 1 687 . 69 LYS HG3 H 1.64 0.03 1 688 . 69 LYS CD C 29.4 0.05 1 689 . 69 LYS HD2 H 1.80 0.02 1 690 . 69 LYS HD3 H 1.80 0.02 1 691 . 69 LYS CE C 41.9 0.02 1 692 . 69 LYS HE2 H 3.06 0.02 1 693 . 69 LYS HE3 H 3.06 0.02 1 694 . 70 LYS N N 116.2 0.02 1 695 . 70 LYS H H 8.09 0.02 1 696 . 70 LYS CA C 56.2 0.02 1 697 . 70 LYS HA H 4.09 0.02 1 698 . 70 LYS CB C 32.8 0.02 1 699 . 70 LYS HB2 H 1.84 0.02 2 700 . 70 LYS HB3 H 1.69 0.02 2 701 . 70 LYS CG C 24.8 0.02 1 702 . 70 LYS HG2 H 1.46 0.02 1 703 . 70 LYS HG3 H 1.46 0.02 1 704 . 70 LYS CD C 29.2 0.02 1 705 . 70 LYS HD2 H 1.70 0.02 1 706 . 70 LYS HD3 H 1.70 0.02 1 707 . 70 LYS CE C 42.3 0.04 1 708 . 70 LYS HE2 H 3.00 0.03 1 709 . 70 LYS HE3 H 3.00 0.03 1 710 . 71 THR N N 114.6 0.02 1 711 . 71 THR H H 7.40 0.02 1 712 . 71 THR CA C 65.1 0.02 1 713 . 71 THR HA H 3.40 0.02 1 714 . 71 THR CB C 68.9 0.02 1 715 . 71 THR HB H 3.92 0.02 1 716 . 71 THR HG2 H 1.07 0.02 1 717 . 71 THR CG2 C 25.3 0.02 1 718 . 72 ASN N N 126.0 0.02 1 719 . 72 ASN H H 8.99 0.02 1 720 . 72 ASN CA C 57.4 0.02 1 721 . 72 ASN HA H 4.56 0.02 1 722 . 72 ASN CB C 41.4 0.02 1 723 . 72 ASN HB2 H 2.45 0.02 2 724 . 72 ASN HB3 H 2.37 0.02 2 725 . 72 ASN ND2 N 109.0 0.02 1 726 . 72 ASN HD21 H 6.87 0.02 2 727 . 72 ASN HD22 H 7.67 0.03 2 728 . 73 TYR N N 114.1 0.02 1 729 . 73 TYR H H 7.42 0.02 1 730 . 73 TYR CA C 57.0 0.02 1 731 . 73 TYR HA H 5.22 0.02 1 732 . 73 TYR CB C 44.0 0.02 1 733 . 73 TYR HB2 H 2.45 0.04 2 734 . 73 TYR HB3 H 2.26 0.02 2 735 . 73 TYR HD1 H 6.63 0.02 1 736 . 73 TYR HD2 H 6.63 0.02 1 737 . 73 TYR HE1 H 6.29 0.02 1 738 . 73 TYR HE2 H 6.29 0.02 1 739 . 74 LEU N N 124.5 0.02 1 740 . 74 LEU H H 9.03 0.02 1 741 . 74 LEU CA C 53.1 0.02 1 742 . 74 LEU HA H 5.15 0.02 1 743 . 74 LEU CB C 44.6 0.02 1 744 . 74 LEU HB2 H 2.02 0.02 2 745 . 74 LEU HB3 H 0.99 0.02 2 746 . 74 LEU CG C 27.5 0.02 1 747 . 74 LEU HG H 1.27 0.02 1 748 . 74 LEU HD1 H 0.80 0.02 2 749 . 74 LEU HD2 H 0.76 0.02 2 750 . 74 LEU CD1 C 24.8 0.02 1 751 . 74 LEU CD2 C 26.7 0.02 1 752 . 75 VAL N N 128.6 0.02 1 753 . 75 VAL H H 9.61 0.02 1 754 . 75 VAL CA C 61.2 0.02 1 755 . 75 VAL HA H 4.55 0.02 1 756 . 75 VAL CB C 31.3 0.02 1 757 . 75 VAL HB H 2.29 0.02 1 758 . 75 VAL HG1 H 1.03 0.02 2 759 . 75 VAL HG2 H 0.76 0.02 2 760 . 75 VAL CG1 C 21.4 0.02 1 761 . 75 VAL CG2 C 21.4 0.02 1 762 . 76 MET N N 127.4 0.02 1 763 . 76 MET H H 9.15 0.02 1 764 . 76 MET CA C 55.1 0.02 1 765 . 76 MET HA H 4.98 0.02 1 766 . 76 MET CB C 35.9 0.02 1 767 . 76 MET HB2 H 2.07 0.02 2 768 . 76 MET HB3 H 1.62 0.02 2 769 . 76 MET CG C 32.2 0.02 1 770 . 76 MET HG2 H 2.39 0.02 1 771 . 76 MET HG3 H 2.39 0.02 1 772 . 77 GLY N N 114.4 0.02 1 773 . 77 GLY H H 8.96 0.02 1 774 . 77 GLY CA C 43.6 0.02 1 775 . 77 GLY HA2 H 4.50 0.02 2 776 . 77 GLY HA3 H 3.45 0.02 2 777 . 78 ARG N N 118.4 0.02 1 778 . 78 ARG H H 8.05 0.02 1 779 . 78 ARG CA C 55.7 0.02 1 780 . 78 ARG HA H 4.51 0.02 1 781 . 78 ARG CB C 29.8 0.02 1 782 . 78 ARG HB2 H 1.76 0.02 1 783 . 78 ARG HB3 H 1.76 0.02 1 784 . 78 ARG CG C 25.9 0.02 1 785 . 78 ARG HG2 H 1.65 0.02 1 786 . 78 ARG HG3 H 1.65 0.02 1 787 . 78 ARG HD2 H 2.98 0.02 1 788 . 78 ARG HD3 H 2.98 0.02 1 789 . 78 ARG NE N 84.9 0.02 1 790 . 78 ARG HE H 9.30 0.02 1 791 . 79 ASP N N 119.8 0.02 1 792 . 79 ASP H H 9.21 0.03 1 793 . 79 ASP CA C 56.7 0.02 1 794 . 79 ASP HA H 4.41 0.02 1 795 . 79 ASP CB C 40.1 0.02 1 796 . 79 ASP HB2 H 2.84 0.03 1 797 . 79 ASP HB3 H 2.84 0.03 1 798 . 80 SER N N 110.6 0.02 1 799 . 80 SER H H 7.70 0.02 1 800 . 80 SER CA C 58.2 0.02 1 801 . 80 SER HA H 3.95 0.02 1 802 . 80 SER CB C 65.3 0.02 1 803 . 80 SER HB2 H 3.94 0.02 2 804 . 80 SER HB3 H 3.84 0.02 2 805 . 81 GLY N N 108.5 0.02 1 806 . 81 GLY H H 9.10 0.02 1 807 . 81 GLY CA C 47.9 0.02 1 808 . 81 GLY HA2 H 3.81 0.02 2 809 . 81 GLY HA3 H 4.09 0.02 2 810 . 82 GLN N N 128.6 0.02 1 811 . 82 GLN H H 9.13 0.02 1 812 . 82 GLN CA C 58.3 0.02 1 813 . 82 GLN HA H 4.01 0.02 1 814 . 82 GLN CB C 29.4 0.02 1 815 . 82 GLN HB2 H 2.16 0.02 2 816 . 82 GLN HB3 H 2.07 0.02 2 817 . 82 GLN CG C 33.9 0.02 1 818 . 82 GLN HG2 H 2.44 0.02 1 819 . 82 GLN HG3 H 2.44 0.02 1 820 . 82 GLN NE2 N 114.8 0.02 1 821 . 82 GLN HE21 H 7.78 0.03 2 822 . 82 GLN HE22 H 6.84 0.03 2 823 . 83 SER N N 115.7 0.02 1 824 . 83 SER H H 8.86 0.02 1 825 . 83 SER CA C 61.8 0.02 1 826 . 83 SER HA H 4.11 0.02 1 827 . 83 SER CB C 62.5 0.02 1 828 . 83 SER HB2 H 3.96 0.02 1 829 . 83 SER HB3 H 3.96 0.02 1 830 . 84 LYS N N 121.4 0.03 1 831 . 84 LYS H H 8.23 0.02 1 832 . 84 LYS CA C 61.6 0.02 1 833 . 84 LYS HA H 4.00 0.02 1 834 . 84 LYS CB C 33.8 0.02 1 835 . 84 LYS HB2 H 2.15 0.02 1 836 . 84 LYS HB3 H 2.15 0.02 1 837 . 84 LYS HG2 H 1.51 0.02 2 838 . 84 LYS HG3 H 1.36 0.02 2 839 . 84 LYS HD2 H 1.93 0.02 1 840 . 84 LYS HD3 H 1.93 0.02 1 841 . 84 LYS HE2 H 2.94 0.03 1 842 . 84 LYS HE3 H 2.94 0.02 1 843 . 85 SER N N 112.5 0.03 1 844 . 85 SER H H 7.91 0.02 1 845 . 85 SER CA C 62.4 0.02 1 846 . 85 SER HA H 3.90 0.02 1 847 . 85 SER CB C 68.0 0.02 1 848 . 85 SER HB2 H 3.86 0.02 1 849 . 85 SER HB3 H 3.86 0.02 1 850 . 86 ASP N N 123.8 0.02 1 851 . 86 ASP H H 8.40 0.02 1 852 . 86 ASP CA C 57.5 0.02 1 853 . 86 ASP HA H 4.45 0.02 1 854 . 86 ASP CB C 40.2 0.02 1 855 . 86 ASP HB2 H 2.95 0.02 2 856 . 86 ASP HB3 H 2.69 0.02 2 857 . 87 LYS N N 122.5 0.02 1 858 . 87 LYS H H 8.39 0.02 1 859 . 87 LYS CA C 59.5 0.02 1 860 . 87 LYS HA H 4.08 0.02 1 861 . 87 LYS CB C 32.5 0.02 1 862 . 87 LYS HB2 H 1.93 0.02 2 863 . 87 LYS HB3 H 1.71 0.02 2 864 . 87 LYS CG C 25.5 0.02 1 865 . 87 LYS HG2 H 1.46 0.02 1 866 . 87 LYS HG3 H 1.46 0.02 1 867 . 87 LYS CD C 29.4 0.02 1 868 . 87 LYS HD2 H 1.65 0.02 1 869 . 87 LYS HD3 H 1.65 0.02 1 870 . 87 LYS CE C 42.3 0.04 1 871 . 87 LYS HE2 H 2.92 0.03 1 872 . 87 LYS HE3 H 2.92 0.03 1 873 . 88 ALA N N 120.4 0.03 1 874 . 88 ALA H H 8.28 0.02 1 875 . 88 ALA CA C 54.3 0.02 1 876 . 88 ALA HA H 4.21 0.02 1 877 . 88 ALA HB H 1.43 0.02 1 878 . 88 ALA CB C 19.4 0.02 1 879 . 89 ALA N N 120.1 0.02 1 880 . 89 ALA H H 8.03 0.02 1 881 . 89 ALA CA C 54.8 0.02 1 882 . 89 ALA HA H 4.13 0.02 1 883 . 89 ALA HB H 1.56 0.02 1 884 . 89 ALA CB C 18.0 0.02 1 885 . 90 ALA N N 120.7 0.02 1 886 . 90 ALA H H 7.76 0.02 1 887 . 90 ALA CA C 54.7 0.02 1 888 . 90 ALA HA H 4.15 0.02 1 889 . 90 ALA HB H 1.56 0.02 1 890 . 90 ALA CB C 18.4 0.02 1 891 . 91 LEU N N 115.7 0.02 1 892 . 91 LEU H H 8.14 0.02 1 893 . 91 LEU CA C 55.4 0.02 1 894 . 91 LEU HA H 4.25 0.02 1 895 . 91 LEU CB C 42.9 0.02 1 896 . 91 LEU HB2 H 1.31 0.02 2 897 . 91 LEU HB3 H 1.88 0.02 2 898 . 91 LEU CG C 26.4 0.02 1 899 . 91 LEU HG H 1.82 0.02 1 900 . 91 LEU HD1 H 0.82 0.02 2 901 . 91 LEU HD2 H 0.56 0.02 2 902 . 91 LEU CD1 C 22.7 0.02 1 903 . 91 LEU CD2 C 25.8 0.02 1 904 . 92 GLY N N 108.7 0.02 1 905 . 92 GLY H H 7.92 0.02 1 906 . 92 GLY CA C 45.9 0.02 1 907 . 92 GLY HA2 H 4.11 0.02 2 908 . 92 GLY HA3 H 3.83 0.02 2 909 . 93 THR N N 120.1 0.02 1 910 . 93 THR H H 8.11 0.02 1 911 . 93 THR CA C 64.0 0.02 1 912 . 93 THR HA H 3.66 0.02 1 913 . 93 THR CB C 69.4 0.02 1 914 . 93 THR HB H 3.39 0.02 1 915 . 93 THR HG2 H 1.00 0.02 1 916 . 93 THR CG2 C 22.9 0.02 1 917 . 94 LYS N N 126.7 0.02 1 918 . 94 LYS H H 7.56 0.02 1 919 . 94 LYS CA C 57.8 0.02 1 920 . 94 LYS HA H 4.14 0.02 1 921 . 94 LYS CB C 32.3 0.02 1 922 . 94 LYS HB2 H 1.77 0.02 1 923 . 94 LYS HB3 H 1.77 0.02 1 924 . 94 LYS CG C 25.3 0.04 1 925 . 94 LYS HG2 H 1.49 0.02 1 926 . 94 LYS HG3 H 1.49 0.02 1 927 . 94 LYS CD C 29.1 0.02 1 928 . 94 LYS HD2 H 1.59 0.02 1 929 . 94 LYS HD3 H 1.59 0.02 1 930 . 94 LYS CE C 41.8 0.04 1 931 . 94 LYS HE2 H 2.96 0.02 1 932 . 94 LYS HE3 H 2.96 0.02 1 933 . 95 ILE N N 125.4 0.03 1 934 . 95 ILE H H 8.30 0.02 1 935 . 95 ILE CA C 60.5 0.02 1 936 . 95 ILE HA H 5.13 0.02 1 937 . 95 ILE CB C 39.4 0.02 1 938 . 95 ILE HB H 1.76 0.02 1 939 . 95 ILE HG2 H 0.96 0.02 1 940 . 95 ILE CG2 C 18.6 0.02 1 941 . 95 ILE CG1 C 28.0 0.02 1 942 . 95 ILE HG12 H 1.03 0.02 1 943 . 95 ILE HG13 H 1.03 0.02 1 944 . 95 ILE HD1 H 0.87 0.02 1 945 . 95 ILE CD1 C 13.5 0.02 1 946 . 96 ILE N N 122.5 0.02 1 947 . 96 ILE H H 9.12 0.02 1 948 . 96 ILE CA C 59.0 0.02 1 949 . 96 ILE HA H 5.04 0.02 1 950 . 96 ILE CB C 43.2 0.02 1 951 . 96 ILE HB H 2.01 0.02 1 952 . 96 ILE HG2 H 1.00 0.02 1 953 . 96 ILE CG2 C 18.2 0.02 1 954 . 96 ILE CG1 C 25.3 0.02 1 955 . 96 ILE HG12 H 1.56 0.02 1 956 . 96 ILE HG13 H 1.56 0.02 1 957 . 96 ILE HD1 H 0.54 0.02 1 958 . 96 ILE CD1 C 13.5 0.02 1 959 . 97 ASP N N 120.0 0.02 1 960 . 97 ASP H H 7.87 0.02 1 961 . 97 ASP CA C 50.9 0.02 1 962 . 97 ASP HA H 5.04 0.02 1 963 . 97 ASP CB C 41.8 0.02 1 964 . 97 ASP HB2 H 2.84 0.02 2 965 . 97 ASP HB3 H 3.46 0.02 2 966 . 98 GLU N N 119.0 0.02 1 967 . 98 GLU H H 8.68 0.02 1 968 . 98 GLU CA C 60.8 0.02 1 969 . 98 GLU HA H 3.64 0.02 1 970 . 98 GLU CB C 31.1 0.02 1 971 . 98 GLU HB2 H 2.14 0.02 1 972 . 98 GLU HB3 H 2.14 0.02 1 973 . 98 GLU CG C 36.7 0.02 1 974 . 98 GLU HG2 H 2.01 0.02 1 975 . 98 GLU HG3 H 2.01 0.02 1 976 . 99 ASP N N 117.0 0.02 1 977 . 99 ASP H H 7.97 0.02 1 978 . 99 ASP CA C 57.6 0.04 1 979 . 99 ASP HA H 4.39 0.02 1 980 . 99 ASP CB C 39.7 0.02 1 981 . 99 ASP HB2 H 2.65 0.02 1 982 . 99 ASP HB3 H 2.65 0.02 1 983 . 100 GLY N N 110.5 0.02 1 984 . 100 GLY H H 8.70 0.02 1 985 . 100 GLY CA C 47.3 0.02 1 986 . 100 GLY HA2 H 3.87 0.02 1 987 . 100 GLY HA3 H 3.87 0.02 1 988 . 101 LEU N N 124.6 0.02 1 989 . 101 LEU H H 8.47 0.02 1 990 . 101 LEU CA C 58.4 0.02 1 991 . 101 LEU HA H 3.95 0.02 1 992 . 101 LEU CB C 41.0 0.02 1 993 . 101 LEU HB2 H 2.17 0.02 1 994 . 101 LEU HB3 H 2.17 0.02 1 995 . 101 LEU CG C 27.5 0.02 1 996 . 101 LEU HG H 1.28 0.02 1 997 . 101 LEU HD1 H 0.56 0.02 2 998 . 101 LEU HD2 H 0.69 0.02 2 999 . 101 LEU CD1 C 22.2 0.02 1 1000 . 101 LEU CD2 C 24.6 0.02 1 1001 . 102 LEU N N 117.0 0.02 1 1002 . 102 LEU H H 7.85 0.02 1 1003 . 102 LEU CA C 58.2 0.02 1 1004 . 102 LEU HA H 3.82 0.02 1 1005 . 102 LEU CB C 39.9 0.02 1 1006 . 102 LEU HB2 H 1.28 0.02 2 1007 . 102 LEU HB3 H 2.00 0.02 2 1008 . 102 LEU CG C 26.5 0.02 1 1009 . 102 LEU HG H 2.04 0.02 1 1010 . 102 LEU HD1 H 0.72 0.02 2 1011 . 102 LEU HD2 H 0.86 0.02 2 1012 . 102 LEU CD1 C 21.9 0.02 1 1013 . 102 LEU CD2 C 25.1 0.02 1 1014 . 103 ASN N N 116.2 0.02 1 1015 . 103 ASN H H 8.57 0.02 1 1016 . 103 ASN CA C 55.5 0.02 1 1017 . 103 ASN HA H 4.45 0.02 1 1018 . 103 ASN CB C 38.2 0.02 1 1019 . 103 ASN HB2 H 2.75 0.02 2 1020 . 103 ASN HB3 H 2.87 0.02 2 1021 . 103 ASN ND2 N 113.1 0.02 1 1022 . 103 ASN HD21 H 7.64 0.02 2 1023 . 103 ASN HD22 H 7.00 0.02 2 1024 . 104 LEU N N 122.3 0.02 1 1025 . 104 LEU H H 7.73 0.02 1 1026 . 104 LEU CA C 57.9 0.02 1 1027 . 104 LEU HA H 4.06 0.02 1 1028 . 104 LEU CB C 42.3 0.02 1 1029 . 104 LEU HB2 H 1.85 0.02 2 1030 . 104 LEU HB3 H 1.57 0.02 2 1031 . 104 LEU CG C 25.8 0.02 1 1032 . 104 LEU HG H 1.65 0.02 1 1033 . 104 LEU HD1 H 0.54 0.02 2 1034 . 104 LEU HD2 H 0.61 0.02 2 1035 . 104 LEU CD1 C 25.3 0.02 1 1036 . 104 LEU CD2 C 23.9 0.02 1 1037 . 105 ILE N N 116.6 0.02 1 1038 . 105 ILE H H 7.03 0.02 1 1039 . 105 ILE CA C 64.0 0.02 1 1040 . 105 ILE HA H 3.48 0.02 1 1041 . 105 ILE CB C 38.3 0.02 1 1042 . 105 ILE HB H 1.59 0.02 1 1043 . 105 ILE HG2 H 0.17 0.02 1 1044 . 105 ILE CG2 C 17.2 0.02 1 1045 . 105 ILE CG1 C 29.5 0.04 1 1046 . 105 ILE HG12 H 0.59 0.02 2 1047 . 105 ILE HG13 H 1.57 0.02 2 1048 . 105 ILE HD1 H 0.60 0.02 1 1049 . 105 ILE CD1 C 13.3 0.02 1 1050 . 106 ARG N N 116.3 0.02 1 1051 . 106 ARG H H 7.64 0.02 1 1052 . 106 ARG CA C 58.6 0.02 1 1053 . 106 ARG HA H 3.91 0.02 1 1054 . 106 ARG CB C 31.3 0.02 1 1055 . 106 ARG HB2 H 1.80 0.02 1 1056 . 106 ARG HB3 H 1.80 0.02 1 1057 . 106 ARG CG C 28.0 0.02 1 1058 . 106 ARG HG2 H 1.68 0.02 2 1059 . 106 ARG HG3 H 1.60 0.02 2 1060 . 106 ARG CD C 43.5 0.02 1 1061 . 106 ARG HD2 H 3.20 0.02 1 1062 . 106 ARG HD3 H 3.20 0.02 1 stop_ save_