data_11330 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the plus-3 domain of human KIAA0252 protein ; _BMRB_accession_number 11330 _BMRB_flat_file_name bmr11330.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Yoneyama M. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Nameki N. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 862 "13C chemical shifts" 631 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the plus-3 domain of human KIAA0252 protein' _Citation_status 'in preparation' _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 Yoneyama M. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Nameki N. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Paf1/RNA polymerase II complex component' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Plus-3 domain, Residues 8-143' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Plus-3 domain, Residues 8-143' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; GSSGSSGPPKSQPVSLPEEL NRVRLSRHKLERWCHMPFFA KTVTGCFVRIGIGNHNSKPV YRVAEITGVVETAKVYQLGG TRTNKGLQLRHGNDQRVFRL EFVSNQEFTESEFMKWKEAM FSAGMQLPTLDEINKKELSI KEASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 PRO 10 LYS 11 SER 12 GLN 13 PRO 14 VAL 15 SER 16 LEU 17 PRO 18 GLU 19 GLU 20 LEU 21 ASN 22 ARG 23 VAL 24 ARG 25 LEU 26 SER 27 ARG 28 HIS 29 LYS 30 LEU 31 GLU 32 ARG 33 TRP 34 CYS 35 HIS 36 MET 37 PRO 38 PHE 39 PHE 40 ALA 41 LYS 42 THR 43 VAL 44 THR 45 GLY 46 CYS 47 PHE 48 VAL 49 ARG 50 ILE 51 GLY 52 ILE 53 GLY 54 ASN 55 HIS 56 ASN 57 SER 58 LYS 59 PRO 60 VAL 61 TYR 62 ARG 63 VAL 64 ALA 65 GLU 66 ILE 67 THR 68 GLY 69 VAL 70 VAL 71 GLU 72 THR 73 ALA 74 LYS 75 VAL 76 TYR 77 GLN 78 LEU 79 GLY 80 GLY 81 THR 82 ARG 83 THR 84 ASN 85 LYS 86 GLY 87 LEU 88 GLN 89 LEU 90 ARG 91 HIS 92 GLY 93 ASN 94 ASP 95 GLN 96 ARG 97 VAL 98 PHE 99 ARG 100 LEU 101 GLU 102 PHE 103 VAL 104 SER 105 ASN 106 GLN 107 GLU 108 PHE 109 THR 110 GLU 111 SER 112 GLU 113 PHE 114 MET 115 LYS 116 TRP 117 LYS 118 GLU 119 ALA 120 MET 121 PHE 122 SER 123 ALA 124 GLY 125 MET 126 GLN 127 LEU 128 PRO 129 THR 130 LEU 131 ASP 132 GLU 133 ILE 134 ASN 135 LYS 136 LYS 137 GLU 138 LEU 139 SER 140 ILE 141 LYS 142 GLU 143 ALA 144 SER 145 GLY 146 PRO 147 SER 148 SER 149 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2BZE "Nmr Structure Of Human Rtf1 Plus3 Domain" 91.28 153 97.06 97.06 3.76e-91 PDB 2DB9 "Solution Structure Of The Plus-3 Domain Of Human Kiaa0252 Protein" 100.00 149 100.00 100.00 4.83e-105 PDB 3U1U "Crystal Structure Of Rna Polymerase-Associated Protein Rtf1 Homolog Plus-3 Domain" 91.95 137 97.08 97.08 2.72e-92 PDB 4L1P "Crystal Structure Of Human Rtf1 Plus3 Domain" 89.26 138 97.74 98.50 7.35e-91 PDB 4L1U "Crystal Structure Of Human Rtf1 Plus3 Domain In Complex With Spt5 Ctr Phosphopeptide" 89.26 138 97.74 98.50 7.35e-91 DBJ BAA13382 "KIAA0252 [Homo sapiens]" 91.28 702 100.00 100.00 4.56e-95 DBJ BAE22595 "unnamed protein product [Mus musculus]" 91.28 391 100.00 100.00 1.43e-95 DBJ BAF84991 "unnamed protein product [Homo sapiens]" 91.28 585 100.00 100.00 3.34e-96 DBJ BAG09677 "RNA polymerase-associated protein RTF1 homolog [synthetic construct]" 91.28 670 100.00 100.00 1.15e-95 EMBL CAG31800 "hypothetical protein RCJMB04_11g9, partial [Gallus gallus]" 91.28 585 98.53 100.00 2.40e-95 EMBL CAH91275 "hypothetical protein [Pongo abelii]" 91.28 630 100.00 100.00 3.86e-96 GB AAH15052 "Rtf1, Paf1/RNA polymerase II complex component, homolog (S. cerevisiae) [Homo sapiens]" 91.28 585 100.00 100.00 3.34e-96 GB AAH76973 "MGC89486 protein [Xenopus (Silurana) tropicalis]" 91.28 590 97.06 98.53 4.05e-93 GB AAI17849 "Rtf1 protein [Mus musculus]" 91.28 585 100.00 100.00 3.34e-96 GB AAI17850 "Rtf1 protein [Mus musculus]" 91.28 585 100.00 100.00 3.34e-96 GB EAW92490 "Rtf1, Paf1/RNA polymerase II complex component, homolog (S. cerevisiae), isoform CRA_a [Homo sapiens]" 91.28 429 100.00 100.00 4.73e-96 REF NP_001005068 "RNA polymerase-associated protein RTF1 homolog [Xenopus (Silurana) tropicalis]" 91.28 590 97.06 98.53 4.05e-93 REF NP_001102428 "RNA polymerase-associated protein RTF1 homolog [Rattus norvegicus]" 91.28 429 99.26 99.26 2.27e-95 REF NP_001179414 "RNA polymerase-associated protein RTF1 homolog [Bos taurus]" 91.28 714 99.26 100.00 6.04e-94 REF NP_055953 "RNA polymerase-associated protein RTF1 homolog [Homo sapiens]" 91.28 710 100.00 100.00 8.47e-95 REF NP_084388 "RNA polymerase-associated protein RTF1 homolog precursor [Mus musculus]" 91.28 715 100.00 100.00 7.46e-95 SP A2AQ19 "RecName: Full=RNA polymerase-associated protein RTF1 homolog" 91.28 715 100.00 100.00 7.46e-95 SP Q5RAD5 "RecName: Full=RNA polymerase-associated protein RTF1 homolog" 91.28 665 100.00 100.00 2.33e-95 SP Q92541 "RecName: Full=RNA polymerase-associated protein RTF1 homolog" 91.28 710 100.00 100.00 8.47e-95 TPG DAA25394 "TPA: Rtf1, Paf1/RNA polymerase II complex component, homolog [Bos taurus]" 91.28 714 99.26 100.00 6.04e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050302-16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.73mM plus-3 domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.73 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9318 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.8 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Plus-3 domain, Residues 8-143' _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 8 8 PRO HA H 4.712 0.030 1 2 8 8 PRO HB2 H 2.333 0.030 2 3 8 8 PRO HB3 H 1.898 0.030 2 4 8 8 PRO HD2 H 3.623 0.030 2 5 8 8 PRO HD3 H 3.592 0.030 2 6 8 8 PRO HG2 H 2.039 0.030 1 7 8 8 PRO HG3 H 2.039 0.030 1 8 8 8 PRO CA C 61.566 0.300 1 9 8 8 PRO CB C 30.828 0.300 1 10 8 8 PRO CD C 49.805 0.300 1 11 8 8 PRO CG C 27.179 0.300 1 12 9 9 PRO HA H 4.436 0.030 1 13 9 9 PRO HB2 H 2.304 0.030 2 14 9 9 PRO HB3 H 1.924 0.030 2 15 9 9 PRO HD2 H 3.814 0.030 2 16 9 9 PRO HD3 H 3.652 0.030 2 17 9 9 PRO HG2 H 2.038 0.030 1 18 9 9 PRO HG3 H 2.038 0.030 1 19 9 9 PRO CA C 63.108 0.300 1 20 9 9 PRO CB C 32.165 0.300 1 21 9 9 PRO CD C 50.473 0.300 1 22 9 9 PRO CG C 27.416 0.300 1 23 10 10 LYS H H 8.504 0.030 1 24 10 10 LYS HA H 4.278 0.030 1 25 10 10 LYS HB2 H 1.837 0.030 2 26 10 10 LYS HB3 H 1.772 0.030 2 27 10 10 LYS HD2 H 1.699 0.030 1 28 10 10 LYS HD3 H 1.699 0.030 1 29 10 10 LYS HE2 H 3.013 0.030 1 30 10 10 LYS HE3 H 3.013 0.030 1 31 10 10 LYS HG2 H 1.486 0.030 2 32 10 10 LYS HG3 H 1.446 0.030 2 33 10 10 LYS CA C 56.713 0.300 1 34 10 10 LYS CB C 32.972 0.300 1 35 10 10 LYS CD C 29.197 0.300 1 36 10 10 LYS CE C 42.217 0.300 1 37 10 10 LYS CG C 24.860 0.300 1 38 10 10 LYS N N 121.321 0.300 1 39 11 11 SER H H 8.199 0.030 1 40 11 11 SER HA H 4.473 0.030 1 41 11 11 SER HB2 H 3.923 0.030 2 42 11 11 SER HB3 H 3.809 0.030 2 43 11 11 SER CA C 57.689 0.300 1 44 11 11 SER CB C 63.835 0.300 1 45 11 11 SER N N 115.684 0.300 1 46 12 12 GLN H H 8.337 0.030 1 47 12 12 GLN HA H 4.653 0.030 1 48 12 12 GLN HB2 H 2.114 0.030 2 49 12 12 GLN HB3 H 2.049 0.030 2 50 12 12 GLN HE21 H 7.805 0.030 2 51 12 12 GLN HE22 H 6.936 0.030 2 52 12 12 GLN HG2 H 2.428 0.030 1 53 12 12 GLN HG3 H 2.428 0.030 1 54 12 12 GLN CA C 53.698 0.300 1 55 12 12 GLN CB C 29.611 0.300 1 56 12 12 GLN CG C 33.475 0.300 1 57 12 12 GLN N N 123.607 0.300 1 58 12 12 GLN NE2 N 113.511 0.300 1 59 13 13 PRO HA H 4.650 0.030 1 60 13 13 PRO HB2 H 2.286 0.030 2 61 13 13 PRO HB3 H 1.934 0.030 2 62 13 13 PRO HD2 H 3.872 0.030 2 63 13 13 PRO HD3 H 3.728 0.030 2 64 13 13 PRO HG2 H 2.037 0.030 1 65 13 13 PRO HG3 H 2.037 0.030 1 66 13 13 PRO C C 177.379 0.300 1 67 13 13 PRO CA C 62.285 0.300 1 68 13 13 PRO CB C 32.741 0.300 1 69 13 13 PRO CD C 50.680 0.300 1 70 13 13 PRO CG C 27.205 0.300 1 71 14 14 VAL H H 8.359 0.030 1 72 14 14 VAL HA H 4.007 0.030 1 73 14 14 VAL HB H 2.111 0.030 1 74 14 14 VAL HG1 H 1.184 0.030 1 75 14 14 VAL HG2 H 1.184 0.030 1 76 14 14 VAL C C 174.162 0.300 1 77 14 14 VAL CA C 63.002 0.300 1 78 14 14 VAL CB C 32.494 0.300 1 79 14 14 VAL CG1 C 22.112 0.300 1 80 14 14 VAL CG2 C 22.112 0.300 1 81 14 14 VAL N N 119.287 0.300 1 82 15 15 SER H H 10.247 0.030 1 83 15 15 SER HA H 4.758 0.030 1 84 15 15 SER HB2 H 3.998 0.030 2 85 15 15 SER HB3 H 3.807 0.030 2 86 15 15 SER C C 173.361 0.300 1 87 15 15 SER CA C 59.232 0.300 1 88 15 15 SER CB C 66.637 0.300 1 89 15 15 SER N N 118.726 0.300 1 90 16 16 LEU H H 8.099 0.030 1 91 16 16 LEU HA H 4.717 0.030 1 92 16 16 LEU HB2 H 1.652 0.030 2 93 16 16 LEU HB3 H 1.210 0.030 2 94 16 16 LEU HD1 H 0.813 0.030 1 95 16 16 LEU HD2 H 0.897 0.030 1 96 16 16 LEU HG H 1.632 0.030 1 97 16 16 LEU C C 175.024 0.300 1 98 16 16 LEU CA C 51.481 0.300 1 99 16 16 LEU CB C 45.230 0.300 1 100 16 16 LEU CD1 C 25.597 0.300 2 101 16 16 LEU CD2 C 23.075 0.300 2 102 16 16 LEU CG C 25.972 0.300 1 103 16 16 LEU N N 124.088 0.300 1 104 17 17 PRO HA H 3.376 0.030 1 105 17 17 PRO HB2 H 1.877 0.030 2 106 17 17 PRO HB3 H 1.747 0.030 2 107 17 17 PRO HD2 H 3.761 0.030 2 108 17 17 PRO HD3 H 3.253 0.030 2 109 17 17 PRO HG2 H 2.169 0.030 2 110 17 17 PRO HG3 H 1.682 0.030 2 111 17 17 PRO C C 177.768 0.300 1 112 17 17 PRO CA C 64.827 0.300 1 113 17 17 PRO CB C 30.374 0.300 1 114 17 17 PRO CD C 49.930 0.300 1 115 17 17 PRO CG C 27.319 0.300 1 116 18 18 GLU H H 8.817 0.030 1 117 18 18 GLU HA H 4.037 0.030 1 118 18 18 GLU HB2 H 2.012 0.030 2 119 18 18 GLU HB3 H 1.937 0.030 2 120 18 18 GLU HG2 H 2.189 0.030 1 121 18 18 GLU HG3 H 2.189 0.030 1 122 18 18 GLU C C 178.606 0.300 1 123 18 18 GLU CA C 59.601 0.300 1 124 18 18 GLU CB C 29.089 0.300 1 125 18 18 GLU CG C 36.284 0.300 1 126 18 18 GLU N N 115.156 0.300 1 127 19 19 GLU H H 6.977 0.030 1 128 19 19 GLU HA H 3.909 0.030 1 129 19 19 GLU HB2 H 2.688 0.030 2 130 19 19 GLU HB3 H 1.652 0.030 2 131 19 19 GLU HG2 H 2.267 0.030 2 132 19 19 GLU HG3 H 2.184 0.030 2 133 19 19 GLU C C 177.768 0.300 1 134 19 19 GLU CA C 58.167 0.300 1 135 19 19 GLU CB C 30.330 0.300 1 136 19 19 GLU CG C 36.386 0.300 1 137 19 19 GLU N N 117.128 0.300 1 138 20 20 LEU H H 6.583 0.030 1 139 20 20 LEU HA H 3.916 0.030 1 140 20 20 LEU HB2 H 1.111 0.030 2 141 20 20 LEU HB3 H 1.502 0.030 2 142 20 20 LEU HD1 H -0.237 0.030 1 143 20 20 LEU HD2 H -0.439 0.030 1 144 20 20 LEU HG H 1.098 0.030 1 145 20 20 LEU C C 179.103 0.300 1 146 20 20 LEU CA C 56.125 0.300 1 147 20 20 LEU CB C 42.908 0.300 1 148 20 20 LEU CD1 C 22.336 0.300 2 149 20 20 LEU CD2 C 24.999 0.300 2 150 20 20 LEU CG C 26.682 0.300 1 151 20 20 LEU N N 117.243 0.300 1 152 21 21 ASN H H 8.581 0.030 1 153 21 21 ASN HA H 4.425 0.030 1 154 21 21 ASN HB2 H 2.874 0.030 2 155 21 21 ASN HB3 H 2.654 0.030 2 156 21 21 ASN HD21 H 7.107 0.030 2 157 21 21 ASN HD22 H 6.773 0.030 2 158 21 21 ASN C C 177.598 0.300 1 159 21 21 ASN CA C 55.834 0.300 1 160 21 21 ASN CB C 39.063 0.300 1 161 21 21 ASN N N 114.773 0.300 1 162 21 21 ASN ND2 N 113.946 0.300 1 163 22 22 ARG H H 7.342 0.030 1 164 22 22 ARG HA H 4.126 0.030 1 165 22 22 ARG HB2 H 1.958 0.030 2 166 22 22 ARG HB3 H 1.898 0.030 2 167 22 22 ARG HD2 H 3.270 0.030 1 168 22 22 ARG HD3 H 3.270 0.030 1 169 22 22 ARG HE H 7.418 0.030 1 170 22 22 ARG HG2 H 2.077 0.030 2 171 22 22 ARG HG3 H 1.695 0.030 2 172 22 22 ARG C C 177.975 0.300 1 173 22 22 ARG CA C 59.618 0.300 1 174 22 22 ARG CB C 30.935 0.300 1 175 22 22 ARG CD C 44.138 0.300 1 176 22 22 ARG CG C 27.652 0.300 1 177 22 22 ARG N N 118.612 0.300 1 178 22 22 ARG NE N 85.200 0.300 1 179 23 23 VAL H H 7.299 0.030 1 180 23 23 VAL HA H 4.625 0.030 1 181 23 23 VAL HB H 2.906 0.030 1 182 23 23 VAL HG1 H 1.009 0.030 1 183 23 23 VAL HG2 H 1.069 0.030 1 184 23 23 VAL C C 173.009 0.300 1 185 23 23 VAL CA C 59.074 0.300 1 186 23 23 VAL CB C 30.887 0.300 1 187 23 23 VAL CG1 C 24.504 0.300 2 188 23 23 VAL CG2 C 20.399 0.300 2 189 23 23 VAL N N 106.737 0.300 1 190 24 24 ARG H H 7.058 0.030 1 191 24 24 ARG HA H 4.975 0.030 1 192 24 24 ARG HB2 H 1.827 0.030 2 193 24 24 ARG HB3 H 1.398 0.030 2 194 24 24 ARG HD2 H 2.700 0.030 2 195 24 24 ARG HD3 H 1.653 0.030 2 196 24 24 ARG HE H 6.877 0.030 1 197 24 24 ARG HG2 H 0.799 0.030 1 198 24 24 ARG HG3 H 0.799 0.030 1 199 24 24 ARG C C 176.323 0.300 1 200 24 24 ARG CA C 53.771 0.300 1 201 24 24 ARG CB C 31.051 0.300 1 202 24 24 ARG CD C 41.282 0.300 1 203 24 24 ARG CG C 27.087 0.300 1 204 24 24 ARG N N 122.104 0.300 1 205 24 24 ARG NE N 82.271 0.300 1 206 25 25 LEU H H 8.810 0.030 1 207 25 25 LEU HA H 4.629 0.030 1 208 25 25 LEU HB2 H 1.730 0.030 2 209 25 25 LEU HB3 H 1.084 0.030 2 210 25 25 LEU HD1 H 1.060 0.030 1 211 25 25 LEU HD2 H 0.924 0.030 1 212 25 25 LEU HG H 1.787 0.030 1 213 25 25 LEU C C 175.862 0.300 1 214 25 25 LEU CA C 52.847 0.300 1 215 25 25 LEU CB C 43.254 0.300 1 216 25 25 LEU CD1 C 27.564 0.300 2 217 25 25 LEU CD2 C 23.301 0.300 2 218 25 25 LEU CG C 26.940 0.300 1 219 25 25 LEU N N 127.147 0.300 1 220 26 26 SER H H 8.038 0.030 1 221 26 26 SER HA H 4.283 0.030 1 222 26 26 SER HB2 H 4.576 0.030 2 223 26 26 SER HB3 H 4.102 0.030 2 224 26 26 SER C C 173.421 0.300 1 225 26 26 SER CA C 56.598 0.300 1 226 26 26 SER CB C 63.931 0.300 1 227 26 26 SER N N 118.621 0.300 1 228 27 27 ARG H H 7.341 0.030 1 229 27 27 ARG HA H 3.669 0.030 1 230 27 27 ARG HB2 H 1.761 0.030 2 231 27 27 ARG HB3 H 1.666 0.030 2 232 27 27 ARG HD2 H 3.477 0.030 2 233 27 27 ARG HD3 H 3.216 0.030 2 234 27 27 ARG HG2 H 1.699 0.030 2 235 27 27 ARG HG3 H 1.668 0.030 2 236 27 27 ARG C C 178.509 0.300 1 237 27 27 ARG CA C 60.355 0.300 1 238 27 27 ARG CB C 29.373 0.300 1 239 27 27 ARG CD C 43.525 0.300 1 240 27 27 ARG CG C 28.173 0.300 1 241 27 27 ARG N N 123.790 0.300 1 242 28 28 HIS H H 8.033 0.030 1 243 28 28 HIS HA H 4.293 0.030 1 244 28 28 HIS HB2 H 2.985 0.030 1 245 28 28 HIS HB3 H 2.985 0.030 1 246 28 28 HIS HD2 H 6.954 0.030 1 247 28 28 HIS C C 177.987 0.300 1 248 28 28 HIS CA C 59.140 0.300 1 249 28 28 HIS CB C 30.673 0.300 1 250 28 28 HIS CD2 C 119.913 0.300 1 251 28 28 HIS N N 116.022 0.300 1 252 29 29 LYS H H 7.407 0.030 1 253 29 29 LYS HA H 3.377 0.030 1 254 29 29 LYS HB2 H 1.347 0.030 2 255 29 29 LYS HB3 H 0.801 0.030 2 256 29 29 LYS HD2 H 1.234 0.030 1 257 29 29 LYS HD3 H 1.234 0.030 1 258 29 29 LYS HE2 H 2.721 0.030 1 259 29 29 LYS HE3 H 2.721 0.030 1 260 29 29 LYS HG2 H 0.737 0.030 2 261 29 29 LYS HG3 H 0.623 0.030 2 262 29 29 LYS C C 177.404 0.300 1 263 29 29 LYS CA C 59.149 0.300 1 264 29 29 LYS CB C 31.678 0.300 1 265 29 29 LYS CD C 29.003 0.300 1 266 29 29 LYS CE C 41.955 0.300 1 267 29 29 LYS CG C 24.913 0.300 1 268 29 29 LYS N N 119.612 0.300 1 269 30 30 LEU H H 7.370 0.030 1 270 30 30 LEU HA H 3.963 0.030 1 271 30 30 LEU HB2 H 2.094 0.030 2 272 30 30 LEU HB3 H 1.449 0.030 2 273 30 30 LEU HD1 H 0.936 0.030 1 274 30 30 LEU HD2 H 1.008 0.030 1 275 30 30 LEU HG H 1.951 0.030 1 276 30 30 LEU C C 178.278 0.300 1 277 30 30 LEU CA C 58.419 0.300 1 278 30 30 LEU CB C 41.847 0.300 1 279 30 30 LEU CD1 C 28.169 0.300 2 280 30 30 LEU CD2 C 24.042 0.300 2 281 30 30 LEU CG C 26.443 0.300 1 282 30 30 LEU N N 116.025 0.300 1 283 31 31 GLU H H 8.559 0.030 1 284 31 31 GLU HA H 3.684 0.030 1 285 31 31 GLU HB2 H 2.073 0.030 2 286 31 31 GLU HB3 H 1.927 0.030 2 287 31 31 GLU HG2 H 2.258 0.030 2 288 31 31 GLU HG3 H 1.989 0.030 2 289 31 31 GLU C C 178.108 0.300 1 290 31 31 GLU CA C 59.384 0.300 1 291 31 31 GLU CB C 29.362 0.300 1 292 31 31 GLU CG C 35.795 0.300 1 293 31 31 GLU N N 117.989 0.300 1 294 32 32 ARG H H 7.349 0.030 1 295 32 32 ARG HA H 4.142 0.030 1 296 32 32 ARG HB2 H 1.862 0.030 2 297 32 32 ARG HB3 H 1.785 0.030 2 298 32 32 ARG HD2 H 3.130 0.030 1 299 32 32 ARG HD3 H 3.130 0.030 1 300 32 32 ARG HG2 H 1.722 0.030 2 301 32 32 ARG HG3 H 1.685 0.030 2 302 32 32 ARG C C 179.310 0.300 1 303 32 32 ARG CA C 58.205 0.300 1 304 32 32 ARG CB C 29.857 0.300 1 305 32 32 ARG CD C 43.371 0.300 1 306 32 32 ARG CG C 27.323 0.300 1 307 32 32 ARG N N 116.654 0.300 1 308 33 33 TRP H H 7.957 0.030 1 309 33 33 TRP HA H 5.049 0.030 1 310 33 33 TRP HB2 H 3.531 0.030 2 311 33 33 TRP HB3 H 3.377 0.030 2 312 33 33 TRP HD1 H 7.107 0.030 1 313 33 33 TRP HE1 H 10.134 0.030 1 314 33 33 TRP HE3 H 7.169 0.030 1 315 33 33 TRP HH2 H 7.081 0.030 1 316 33 33 TRP HZ2 H 7.438 0.030 1 317 33 33 TRP HZ3 H 6.823 0.030 1 318 33 33 TRP C C 178.545 0.300 1 319 33 33 TRP CA C 55.401 0.300 1 320 33 33 TRP CB C 31.798 0.300 1 321 33 33 TRP CD1 C 123.006 0.300 1 322 33 33 TRP CE3 C 118.461 0.300 1 323 33 33 TRP CH2 C 124.029 0.300 1 324 33 33 TRP CZ2 C 114.884 0.300 1 325 33 33 TRP CZ3 C 121.366 0.300 1 326 33 33 TRP N N 116.929 0.300 1 327 33 33 TRP NE1 N 126.426 0.300 1 328 34 34 CYS H H 7.458 0.030 1 329 34 34 CYS HA H 2.369 0.030 1 330 34 34 CYS HB2 H 2.571 0.030 2 331 34 34 CYS HB3 H 2.002 0.030 2 332 34 34 CYS C C 173.907 0.300 1 333 34 34 CYS CA C 61.399 0.300 1 334 34 34 CYS CB C 26.078 0.300 1 335 34 34 CYS N N 116.375 0.300 1 336 35 35 HIS H H 8.240 0.030 1 337 35 35 HIS HA H 4.855 0.030 1 338 35 35 HIS HB2 H 3.280 0.030 2 339 35 35 HIS HB3 H 2.847 0.030 2 340 35 35 HIS HD2 H 7.039 0.030 1 341 35 35 HIS HE1 H 8.072 0.030 1 342 35 35 HIS C C 176.445 0.300 1 343 35 35 HIS CA C 55.336 0.300 1 344 35 35 HIS CB C 30.433 0.300 1 345 35 35 HIS CD2 C 119.913 0.300 1 346 35 35 HIS CE1 C 139.374 0.300 1 347 35 35 HIS N N 118.956 0.300 1 348 36 36 MET H H 8.086 0.030 1 349 36 36 MET HA H 4.703 0.030 1 350 36 36 MET HB2 H 1.575 0.030 2 351 36 36 MET HB3 H 1.259 0.030 2 352 36 36 MET HE H 2.193 0.030 1 353 36 36 MET HG2 H 2.705 0.030 2 354 36 36 MET HG3 H 2.625 0.030 2 355 36 36 MET C C 177.185 0.300 1 356 36 36 MET CA C 53.037 0.300 1 357 36 36 MET CB C 31.010 0.300 1 358 36 36 MET CE C 17.744 0.300 1 359 36 36 MET CG C 32.806 0.300 1 360 36 36 MET N N 120.889 0.300 1 361 37 37 PRO HA H 4.674 0.030 1 362 37 37 PRO HB2 H 2.355 0.030 2 363 37 37 PRO HB3 H 1.946 0.030 2 364 37 37 PRO HD2 H 3.936 0.030 2 365 37 37 PRO HD3 H 3.730 0.030 2 366 37 37 PRO HG2 H 2.138 0.030 2 367 37 37 PRO HG3 H 2.062 0.030 2 368 37 37 PRO CA C 62.308 0.300 1 369 37 37 PRO CB C 31.580 0.300 1 370 37 37 PRO CD C 50.784 0.300 1 371 37 37 PRO CG C 27.650 0.300 1 372 38 38 PHE HA H 4.857 0.030 1 373 38 38 PHE HB2 H 3.294 0.030 2 374 38 38 PHE HB3 H 3.002 0.030 2 375 38 38 PHE HD1 H 7.002 0.030 1 376 38 38 PHE HD2 H 7.002 0.030 1 377 38 38 PHE HE1 H 6.801 0.030 1 378 38 38 PHE HE2 H 6.801 0.030 1 379 38 38 PHE HZ H 6.975 0.030 1 380 38 38 PHE C C 176.335 0.300 1 381 38 38 PHE CA C 55.799 0.300 1 382 38 38 PHE CB C 37.250 0.300 1 383 38 38 PHE CD1 C 131.491 0.300 1 384 38 38 PHE CD2 C 131.491 0.300 1 385 38 38 PHE CE1 C 131.569 0.300 1 386 38 38 PHE CE2 C 131.569 0.300 1 387 38 38 PHE CZ C 130.520 0.300 1 388 39 39 PHE H H 7.468 0.030 1 389 39 39 PHE HA H 3.891 0.030 1 390 39 39 PHE HB2 H 3.586 0.030 2 391 39 39 PHE HB3 H 2.971 0.030 2 392 39 39 PHE HD1 H 7.271 0.030 1 393 39 39 PHE HD2 H 7.271 0.030 1 394 39 39 PHE HE1 H 7.247 0.030 1 395 39 39 PHE HE2 H 7.247 0.030 1 396 39 39 PHE HZ H 7.020 0.030 1 397 39 39 PHE C C 175.655 0.300 1 398 39 39 PHE CA C 62.527 0.300 1 399 39 39 PHE CB C 39.251 0.300 1 400 39 39 PHE CD1 C 132.615 0.300 1 401 39 39 PHE CD2 C 132.615 0.300 1 402 39 39 PHE CE1 C 130.600 0.300 1 403 39 39 PHE CE2 C 130.600 0.300 1 404 39 39 PHE CZ C 127.903 0.300 1 405 39 39 PHE N N 123.416 0.300 1 406 40 40 ALA H H 8.844 0.030 1 407 40 40 ALA HA H 3.709 0.030 1 408 40 40 ALA HB H 1.438 0.030 1 409 40 40 ALA C C 179.905 0.300 1 410 40 40 ALA CA C 56.230 0.300 1 411 40 40 ALA CB C 17.964 0.300 1 412 40 40 ALA N N 119.149 0.300 1 413 41 41 LYS H H 8.420 0.030 1 414 41 41 LYS HA H 4.005 0.030 1 415 41 41 LYS HB2 H 1.891 0.030 2 416 41 41 LYS HB3 H 1.800 0.030 2 417 41 41 LYS HD2 H 1.666 0.030 1 418 41 41 LYS HD3 H 1.666 0.030 1 419 41 41 LYS HE2 H 2.959 0.030 1 420 41 41 LYS HE3 H 2.959 0.030 1 421 41 41 LYS HG2 H 1.440 0.030 1 422 41 41 LYS HG3 H 1.440 0.030 1 423 41 41 LYS C C 178.351 0.300 1 424 41 41 LYS CA C 58.652 0.300 1 425 41 41 LYS CB C 32.288 0.300 1 426 41 41 LYS CD C 29.290 0.300 1 427 41 41 LYS CE C 42.119 0.300 1 428 41 41 LYS CG C 24.873 0.300 1 429 41 41 LYS N N 118.397 0.300 1 430 42 42 THR H H 7.874 0.030 1 431 42 42 THR HA H 3.792 0.030 1 432 42 42 THR HB H 3.838 0.030 1 433 42 42 THR HG2 H 0.619 0.030 1 434 42 42 THR C C 175.923 0.300 1 435 42 42 THR CA C 66.772 0.300 1 436 42 42 THR CB C 68.652 0.300 1 437 42 42 THR CG2 C 21.014 0.300 1 438 42 42 THR N N 114.353 0.300 1 439 43 43 VAL H H 7.969 0.030 1 440 43 43 VAL HA H 4.207 0.030 1 441 43 43 VAL HB H 2.003 0.030 1 442 43 43 VAL HG1 H 0.737 0.030 1 443 43 43 VAL HG2 H 0.245 0.030 1 444 43 43 VAL C C 176.602 0.300 1 445 43 43 VAL CA C 63.506 0.300 1 446 43 43 VAL CB C 30.591 0.300 1 447 43 43 VAL CG1 C 21.874 0.300 2 448 43 43 VAL CG2 C 17.402 0.300 2 449 43 43 VAL N N 109.743 0.300 1 450 44 44 THR H H 7.125 0.030 1 451 44 44 THR HA H 3.520 0.030 1 452 44 44 THR HB H 4.014 0.030 1 453 44 44 THR HG2 H 1.057 0.030 1 454 44 44 THR C C 174.902 0.300 1 455 44 44 THR CA C 66.672 0.300 1 456 44 44 THR CB C 68.092 0.300 1 457 44 44 THR CG2 C 20.880 0.300 1 458 44 44 THR N N 118.042 0.300 1 459 45 45 GLY H H 9.215 0.030 1 460 45 45 GLY HA2 H 4.415 0.030 2 461 45 45 GLY HA3 H 3.879 0.030 2 462 45 45 GLY C C 174.976 0.300 1 463 45 45 GLY CA C 44.994 0.300 1 464 45 45 GLY N N 116.830 0.300 1 465 46 46 CYS H H 7.887 0.030 1 466 46 46 CYS HA H 4.831 0.030 1 467 46 46 CYS HB2 H 3.306 0.030 1 468 46 46 CYS HB3 H 3.306 0.030 1 469 46 46 CYS C C 171.843 0.300 1 470 46 46 CYS CA C 60.196 0.300 1 471 46 46 CYS CB C 27.821 0.300 1 472 46 46 CYS N N 114.936 0.300 1 473 47 47 PHE H H 8.607 0.030 1 474 47 47 PHE HA H 5.629 0.030 1 475 47 47 PHE HB2 H 2.888 0.030 2 476 47 47 PHE HB3 H 2.674 0.030 2 477 47 47 PHE HD1 H 6.820 0.030 1 478 47 47 PHE HD2 H 6.820 0.030 1 479 47 47 PHE HE1 H 7.106 0.030 1 480 47 47 PHE HE2 H 7.106 0.030 1 481 47 47 PHE HZ H 7.361 0.030 1 482 47 47 PHE C C 175.170 0.300 1 483 47 47 PHE CA C 56.542 0.300 1 484 47 47 PHE CB C 43.371 0.300 1 485 47 47 PHE CD1 C 131.169 0.300 1 486 47 47 PHE CD2 C 131.169 0.300 1 487 47 47 PHE CE1 C 131.176 0.300 1 488 47 47 PHE CE2 C 131.176 0.300 1 489 47 47 PHE CZ C 129.796 0.300 1 490 47 47 PHE N N 117.433 0.300 1 491 48 48 VAL H H 9.493 0.030 1 492 48 48 VAL HA H 4.758 0.030 1 493 48 48 VAL HB H 2.161 0.030 1 494 48 48 VAL HG1 H 1.054 0.030 1 495 48 48 VAL HG2 H 0.709 0.030 1 496 48 48 VAL C C 172.887 0.300 1 497 48 48 VAL CA C 59.131 0.300 1 498 48 48 VAL CB C 36.779 0.300 1 499 48 48 VAL CG1 C 23.725 0.300 2 500 48 48 VAL CG2 C 20.551 0.300 2 501 48 48 VAL N N 109.145 0.300 1 502 49 49 ARG H H 9.062 0.030 1 503 49 49 ARG HA H 5.092 0.030 1 504 49 49 ARG HB2 H 1.813 0.030 2 505 49 49 ARG HB3 H 1.261 0.030 2 506 49 49 ARG HD2 H 2.473 0.030 2 507 49 49 ARG HD3 H 2.350 0.030 2 508 49 49 ARG HE H 9.673 0.030 1 509 49 49 ARG HG2 H 1.286 0.030 1 510 49 49 ARG HG3 H 1.286 0.030 1 511 49 49 ARG C C 174.053 0.300 1 512 49 49 ARG CA C 55.289 0.300 1 513 49 49 ARG CB C 31.016 0.300 1 514 49 49 ARG CD C 43.618 0.300 1 515 49 49 ARG CG C 29.445 0.300 1 516 49 49 ARG N N 124.192 0.300 1 517 49 49 ARG NE N 87.679 0.300 1 518 50 50 ILE H H 9.226 0.030 1 519 50 50 ILE HA H 4.880 0.030 1 520 50 50 ILE HB H 1.052 0.030 1 521 50 50 ILE HD1 H 0.478 0.030 1 522 50 50 ILE HG12 H 0.715 0.030 2 523 50 50 ILE HG13 H -0.313 0.030 2 524 50 50 ILE HG2 H 0.477 0.030 1 525 50 50 ILE C C 173.336 0.300 1 526 50 50 ILE CA C 55.517 0.300 1 527 50 50 ILE CB C 42.944 0.300 1 528 50 50 ILE CD1 C 16.037 0.300 1 529 50 50 ILE CG1 C 27.722 0.300 1 530 50 50 ILE CG2 C 18.717 0.300 1 531 50 50 ILE N N 126.839 0.300 1 532 51 51 GLY H H 8.492 0.030 1 533 51 51 GLY HA2 H 4.067 0.030 2 534 51 51 GLY HA3 H 3.399 0.030 2 535 51 51 GLY C C 173.276 0.300 1 536 51 51 GLY CA C 46.558 0.300 1 537 51 51 GLY N N 115.697 0.300 1 538 52 52 ILE H H 7.937 0.030 1 539 52 52 ILE HA H 4.355 0.030 1 540 52 52 ILE HB H 1.917 0.030 1 541 52 52 ILE HD1 H 0.566 0.030 1 542 52 52 ILE HG12 H 1.030 0.030 2 543 52 52 ILE HG13 H 0.691 0.030 2 544 52 52 ILE HG2 H 0.641 0.030 1 545 52 52 ILE C C 175.899 0.300 1 546 52 52 ILE CA C 60.118 0.300 1 547 52 52 ILE CB C 38.736 0.300 1 548 52 52 ILE CD1 C 13.605 0.300 1 549 52 52 ILE CG1 C 26.725 0.300 1 550 52 52 ILE CG2 C 18.388 0.300 1 551 52 52 ILE N N 118.543 0.300 1 552 53 53 GLY H H 7.988 0.030 1 553 53 53 GLY HA2 H 4.123 0.030 2 554 53 53 GLY HA3 H 3.679 0.030 2 555 53 53 GLY C C 172.523 0.300 1 556 53 53 GLY CA C 44.370 0.300 1 557 53 53 GLY N N 111.878 0.300 1 558 54 54 ASN H H 8.364 0.030 1 559 54 54 ASN HA H 5.000 0.030 1 560 54 54 ASN HB2 H 2.564 0.030 2 561 54 54 ASN HB3 H 2.403 0.030 2 562 54 54 ASN HD21 H 7.415 0.030 2 563 54 54 ASN HD22 H 6.730 0.030 2 564 54 54 ASN C C 175.388 0.300 1 565 54 54 ASN CA C 52.382 0.300 1 566 54 54 ASN CB C 40.363 0.300 1 567 54 54 ASN N N 117.855 0.300 1 568 54 54 ASN ND2 N 112.460 0.300 1 569 55 55 HIS HA H 4.580 0.030 1 570 55 55 HIS HB2 H 2.961 0.030 1 571 55 55 HIS HB3 H 2.961 0.030 1 572 55 55 HIS HD2 H 6.931 0.030 1 573 55 55 HIS CA C 56.760 0.300 1 574 55 55 HIS CB C 32.025 0.300 1 575 55 55 HIS CD2 C 119.275 0.300 1 576 56 56 ASN HA H 4.384 0.030 1 577 56 56 ASN HB2 H 2.905 0.030 2 578 56 56 ASN HB3 H 2.577 0.030 2 579 56 56 ASN HD21 H 7.470 0.030 2 580 56 56 ASN HD22 H 6.801 0.030 2 581 56 56 ASN CA C 54.036 0.300 1 582 56 56 ASN CB C 37.354 0.300 1 583 56 56 ASN ND2 N 112.251 0.300 1 584 57 57 SER H H 8.345 0.030 1 585 57 57 SER HA H 4.121 0.030 1 586 57 57 SER HB2 H 4.055 0.030 2 587 57 57 SER HB3 H 4.008 0.030 2 588 57 57 SER CA C 59.594 0.300 1 589 57 57 SER CB C 62.901 0.300 1 590 57 57 SER N N 109.180 0.300 1 591 58 58 LYS H H 7.867 0.030 1 592 58 58 LYS HA H 4.786 0.030 1 593 58 58 LYS HB2 H 1.855 0.030 2 594 58 58 LYS HB3 H 1.764 0.030 2 595 58 58 LYS HG2 H 1.440 0.030 1 596 58 58 LYS HG3 H 1.440 0.030 1 597 58 58 LYS CA C 53.507 0.300 1 598 58 58 LYS CB C 33.482 0.300 1 599 58 58 LYS CD C 29.202 0.300 1 600 58 58 LYS CG C 24.761 0.300 1 601 58 58 LYS N N 122.038 0.300 1 602 59 59 PRO HA H 4.492 0.030 1 603 59 59 PRO HB2 H 2.046 0.030 2 604 59 59 PRO HB3 H 1.632 0.030 2 605 59 59 PRO HD2 H 3.826 0.030 2 606 59 59 PRO HD3 H 3.698 0.030 2 607 59 59 PRO HG2 H 2.127 0.030 2 608 59 59 PRO HG3 H 2.029 0.030 2 609 59 59 PRO C C 176.384 0.300 1 610 59 59 PRO CA C 63.181 0.300 1 611 59 59 PRO CB C 32.388 0.300 1 612 59 59 PRO CD C 50.668 0.300 1 613 59 59 PRO CG C 27.554 0.300 1 614 60 60 VAL H H 7.960 0.030 1 615 60 60 VAL HA H 4.151 0.030 1 616 60 60 VAL HB H 1.738 0.030 1 617 60 60 VAL HG1 H 0.831 0.030 1 618 60 60 VAL HG2 H 0.853 0.030 1 619 60 60 VAL C C 174.380 0.300 1 620 60 60 VAL CA C 61.494 0.300 1 621 60 60 VAL CB C 34.164 0.300 1 622 60 60 VAL CG1 C 21.636 0.300 2 623 60 60 VAL CG2 C 21.196 0.300 2 624 60 60 VAL N N 121.743 0.300 1 625 61 61 TYR H H 8.789 0.030 1 626 61 61 TYR HA H 5.409 0.030 1 627 61 61 TYR HB2 H 2.844 0.030 2 628 61 61 TYR HB3 H 2.557 0.030 2 629 61 61 TYR HD1 H 6.821 0.030 1 630 61 61 TYR HD2 H 6.821 0.030 1 631 61 61 TYR HE1 H 6.782 0.030 1 632 61 61 TYR HE2 H 6.782 0.030 1 633 61 61 TYR C C 175.522 0.300 1 634 61 61 TYR CA C 56.486 0.300 1 635 61 61 TYR CB C 42.342 0.300 1 636 61 61 TYR CD1 C 133.263 0.300 1 637 61 61 TYR CD2 C 133.263 0.300 1 638 61 61 TYR CE1 C 117.968 0.300 1 639 61 61 TYR CE2 C 117.968 0.300 1 640 61 61 TYR N N 123.976 0.300 1 641 62 62 ARG H H 8.772 0.030 1 642 62 62 ARG HA H 4.770 0.030 1 643 62 62 ARG HB2 H 1.504 0.030 2 644 62 62 ARG HB3 H 1.296 0.030 2 645 62 62 ARG HD2 H 2.186 0.030 2 646 62 62 ARG HD3 H 2.012 0.030 2 647 62 62 ARG HG2 H 1.284 0.030 2 648 62 62 ARG HG3 H 1.241 0.030 2 649 62 62 ARG C C 175.437 0.300 1 650 62 62 ARG CA C 53.774 0.300 1 651 62 62 ARG CB C 34.960 0.300 1 652 62 62 ARG CD C 43.480 0.300 1 653 62 62 ARG CG C 26.694 0.300 1 654 62 62 ARG N N 115.891 0.300 1 655 63 63 VAL H H 8.406 0.030 1 656 63 63 VAL HA H 3.965 0.030 1 657 63 63 VAL HB H 1.592 0.030 1 658 63 63 VAL HG1 H -0.573 0.030 1 659 63 63 VAL HG2 H -0.002 0.030 1 660 63 63 VAL C C 175.619 0.300 1 661 63 63 VAL CA C 62.265 0.300 1 662 63 63 VAL CB C 32.782 0.300 1 663 63 63 VAL CG1 C 21.158 0.300 2 664 63 63 VAL CG2 C 19.806 0.300 2 665 63 63 VAL N N 120.891 0.300 1 666 64 64 ALA H H 8.832 0.030 1 667 64 64 ALA HA H 5.016 0.030 1 668 64 64 ALA HB H 1.184 0.030 1 669 64 64 ALA C C 174.150 0.300 1 670 64 64 ALA CA C 51.235 0.300 1 671 64 64 ALA CB C 24.064 0.300 1 672 64 64 ALA N N 127.022 0.300 1 673 65 65 GLU H H 8.769 0.030 1 674 65 65 GLU HA H 3.526 0.030 1 675 65 65 GLU HB2 H 1.768 0.030 2 676 65 65 GLU HB3 H 1.533 0.030 2 677 65 65 GLU HG2 H 1.592 0.030 2 678 65 65 GLU HG3 H 1.287 0.030 2 679 65 65 GLU C C 176.360 0.300 1 680 65 65 GLU CA C 54.401 0.300 1 681 65 65 GLU CB C 32.267 0.300 1 682 65 65 GLU CG C 35.080 0.300 1 683 65 65 GLU N N 123.436 0.300 1 684 66 66 ILE H H 8.994 0.030 1 685 66 66 ILE HA H 4.523 0.030 1 686 66 66 ILE HB H 2.167 0.030 1 687 66 66 ILE HD1 H 0.774 0.030 1 688 66 66 ILE HG12 H 1.532 0.030 2 689 66 66 ILE HG13 H 0.750 0.030 2 690 66 66 ILE HG2 H 0.809 0.030 1 691 66 66 ILE C C 177.197 0.300 1 692 66 66 ILE CA C 61.662 0.300 1 693 66 66 ILE CB C 37.067 0.300 1 694 66 66 ILE CD1 C 14.164 0.300 1 695 66 66 ILE CG1 C 27.179 0.300 1 696 66 66 ILE CG2 C 18.979 0.300 1 697 66 66 ILE N N 126.144 0.300 1 698 67 67 THR H H 9.478 0.030 1 699 67 67 THR HA H 4.623 0.030 1 700 67 67 THR HB H 4.404 0.030 1 701 67 67 THR HG2 H 0.992 0.030 1 702 67 67 THR C C 174.660 0.300 1 703 67 67 THR CA C 61.353 0.300 1 704 67 67 THR CB C 68.592 0.300 1 705 67 67 THR CG2 C 22.208 0.300 1 706 67 67 THR N N 121.255 0.300 1 707 68 68 GLY H H 7.694 0.030 1 708 68 68 GLY HA2 H 4.157 0.030 2 709 68 68 GLY HA3 H 4.028 0.030 2 710 68 68 GLY C C 170.411 0.300 1 711 68 68 GLY CA C 45.211 0.300 1 712 68 68 GLY N N 109.336 0.300 1 713 69 69 VAL H H 8.704 0.030 1 714 69 69 VAL HA H 4.818 0.030 1 715 69 69 VAL HB H 1.933 0.030 1 716 69 69 VAL HG1 H 1.196 0.030 1 717 69 69 VAL HG2 H 0.682 0.030 1 718 69 69 VAL C C 175.109 0.300 1 719 69 69 VAL CA C 61.673 0.300 1 720 69 69 VAL CB C 34.845 0.300 1 721 69 69 VAL CG1 C 21.848 0.300 2 722 69 69 VAL CG2 C 22.080 0.300 2 723 69 69 VAL N N 120.840 0.300 1 724 70 70 VAL H H 8.647 0.030 1 725 70 70 VAL HA H 4.734 0.030 1 726 70 70 VAL HB H 2.062 0.030 1 727 70 70 VAL HG1 H 0.767 0.030 1 728 70 70 VAL HG2 H 0.601 0.030 1 729 70 70 VAL C C 174.745 0.300 1 730 70 70 VAL CA C 58.948 0.300 1 731 70 70 VAL CB C 35.265 0.300 1 732 70 70 VAL CG1 C 21.143 0.300 2 733 70 70 VAL CG2 C 19.421 0.300 2 734 70 70 VAL N N 121.008 0.300 1 735 71 71 GLU H H 8.549 0.030 1 736 71 71 GLU HA H 4.567 0.030 1 737 71 71 GLU HB2 H 1.920 0.030 1 738 71 71 GLU HB3 H 1.920 0.030 1 739 71 71 GLU HG2 H 2.278 0.030 2 740 71 71 GLU HG3 H 2.177 0.030 2 741 71 71 GLU C C 176.748 0.300 1 742 71 71 GLU CA C 56.194 0.300 1 743 71 71 GLU CB C 30.590 0.300 1 744 71 71 GLU CG C 36.911 0.300 1 745 71 71 GLU N N 121.414 0.300 1 746 72 72 THR H H 8.370 0.030 1 747 72 72 THR HA H 4.635 0.030 1 748 72 72 THR HB H 4.512 0.030 1 749 72 72 THR HG2 H 1.100 0.030 1 750 72 72 THR C C 174.296 0.300 1 751 72 72 THR CA C 61.064 0.300 1 752 72 72 THR CB C 70.400 0.300 1 753 72 72 THR CG2 C 20.648 0.300 1 754 72 72 THR N N 115.581 0.300 1 755 73 73 ALA H H 8.396 0.030 1 756 73 73 ALA HA H 4.224 0.030 1 757 73 73 ALA HB H 1.467 0.030 1 758 73 73 ALA C C 177.525 0.300 1 759 73 73 ALA CA C 53.721 0.300 1 760 73 73 ALA CB C 19.465 0.300 1 761 73 73 ALA N N 119.939 0.300 1 762 74 74 LYS H H 7.712 0.030 1 763 74 74 LYS HA H 4.654 0.030 1 764 74 74 LYS HB2 H 1.806 0.030 2 765 74 74 LYS HB3 H 1.691 0.030 2 766 74 74 LYS HD2 H 1.687 0.030 1 767 74 74 LYS HD3 H 1.687 0.030 1 768 74 74 LYS HE2 H 2.997 0.030 1 769 74 74 LYS HE3 H 2.997 0.030 1 770 74 74 LYS HG2 H 1.395 0.030 1 771 74 74 LYS HG3 H 1.395 0.030 1 772 74 74 LYS C C 174.915 0.300 1 773 74 74 LYS CA C 54.784 0.300 1 774 74 74 LYS CB C 35.401 0.300 1 775 74 74 LYS CD C 29.115 0.300 1 776 74 74 LYS CE C 42.217 0.300 1 777 74 74 LYS CG C 24.727 0.300 1 778 74 74 LYS N N 116.820 0.300 1 779 75 75 VAL H H 8.196 0.030 1 780 75 75 VAL HA H 3.949 0.030 1 781 75 75 VAL HB H 1.810 0.030 1 782 75 75 VAL HG1 H 0.902 0.030 1 783 75 75 VAL HG2 H 0.704 0.030 1 784 75 75 VAL C C 175.231 0.300 1 785 75 75 VAL CA C 61.931 0.300 1 786 75 75 VAL CB C 32.130 0.300 1 787 75 75 VAL CG1 C 22.103 0.300 2 788 75 75 VAL CG2 C 22.093 0.300 2 789 75 75 VAL N N 122.785 0.300 1 790 76 76 TYR H H 8.758 0.030 1 791 76 76 TYR HA H 4.995 0.030 1 792 76 76 TYR HB2 H 3.129 0.030 2 793 76 76 TYR HB3 H 2.793 0.030 2 794 76 76 TYR HD1 H 7.161 0.030 1 795 76 76 TYR HD2 H 7.161 0.030 1 796 76 76 TYR HE1 H 6.524 0.030 1 797 76 76 TYR HE2 H 6.524 0.030 1 798 76 76 TYR C C 172.754 0.300 1 799 76 76 TYR CA C 54.935 0.300 1 800 76 76 TYR CB C 41.064 0.300 1 801 76 76 TYR CD1 C 135.651 0.300 1 802 76 76 TYR CD2 C 135.651 0.300 1 803 76 76 TYR CE1 C 116.648 0.300 1 804 76 76 TYR CE2 C 116.648 0.300 1 805 76 76 TYR N N 124.594 0.300 1 806 77 77 GLN H H 8.551 0.030 1 807 77 77 GLN HA H 4.174 0.030 1 808 77 77 GLN HB2 H 2.039 0.030 1 809 77 77 GLN HB3 H 2.039 0.030 1 810 77 77 GLN HE21 H 7.481 0.030 2 811 77 77 GLN HE22 H 6.809 0.030 2 812 77 77 GLN HG2 H 2.371 0.030 2 813 77 77 GLN HG3 H 2.342 0.030 2 814 77 77 GLN C C 174.575 0.300 1 815 77 77 GLN CA C 55.983 0.300 1 816 77 77 GLN CB C 29.359 0.300 1 817 77 77 GLN CG C 33.238 0.300 1 818 77 77 GLN N N 119.990 0.300 1 819 77 77 GLN NE2 N 112.764 0.300 1 820 78 78 LEU H H 8.843 0.030 1 821 78 78 LEU HA H 4.582 0.030 1 822 78 78 LEU HB2 H 1.633 0.030 2 823 78 78 LEU HB3 H 0.967 0.030 2 824 78 78 LEU HD1 H 0.790 0.030 1 825 78 78 LEU HD2 H 0.765 0.030 1 826 78 78 LEU HG H 1.390 0.030 1 827 78 78 LEU C C 174.514 0.300 1 828 78 78 LEU CA C 52.699 0.300 1 829 78 78 LEU CB C 43.555 0.300 1 830 78 78 LEU CD1 C 23.459 0.300 2 831 78 78 LEU CD2 C 27.563 0.300 2 832 78 78 LEU CG C 27.639 0.300 1 833 78 78 LEU N N 130.604 0.300 1 834 79 79 GLY H H 8.716 0.030 1 835 79 79 GLY HA2 H 4.099 0.030 2 836 79 79 GLY HA3 H 3.549 0.030 2 837 79 79 GLY C C 175.923 0.300 1 838 79 79 GLY CA C 47.501 0.300 1 839 79 79 GLY N N 114.173 0.300 1 840 80 80 GLY H H 9.220 0.030 1 841 80 80 GLY HA2 H 4.260 0.030 2 842 80 80 GLY HA3 H 3.676 0.030 2 843 80 80 GLY C C 173.858 0.300 1 844 80 80 GLY CA C 45.495 0.300 1 845 80 80 GLY N N 117.332 0.300 1 846 81 81 THR H H 8.144 0.030 1 847 81 81 THR HA H 4.806 0.030 1 848 81 81 THR HB H 4.127 0.030 1 849 81 81 THR HG2 H 1.158 0.030 1 850 81 81 THR C C 171.758 0.300 1 851 81 81 THR CA C 59.535 0.300 1 852 81 81 THR CB C 70.806 0.300 1 853 81 81 THR CG2 C 18.732 0.300 1 854 81 81 THR N N 117.376 0.300 1 855 82 82 ARG H H 8.272 0.030 1 856 82 82 ARG HA H 4.971 0.030 1 857 82 82 ARG HB2 H 1.430 0.030 1 858 82 82 ARG HB3 H 1.430 0.030 1 859 82 82 ARG HD2 H 3.130 0.030 2 860 82 82 ARG HD3 H 2.983 0.030 2 861 82 82 ARG HG2 H 1.468 0.030 2 862 82 82 ARG HG3 H 1.304 0.030 2 863 82 82 ARG C C 175.146 0.300 1 864 82 82 ARG CA C 54.652 0.300 1 865 82 82 ARG CB C 32.892 0.300 1 866 82 82 ARG CD C 43.396 0.300 1 867 82 82 ARG CG C 27.416 0.300 1 868 82 82 ARG N N 120.662 0.300 1 869 83 83 THR H H 8.381 0.030 1 870 83 83 THR HA H 4.782 0.030 1 871 83 83 THR HB H 3.882 0.030 1 872 83 83 THR HG2 H 0.603 0.030 1 873 83 83 THR C C 169.828 0.300 1 874 83 83 THR CA C 69.270 0.300 1 875 83 83 THR CB C 69.308 0.300 1 876 83 83 THR CG2 C 18.466 0.300 1 877 83 83 THR N N 116.314 0.300 1 878 84 84 ASN H H 7.711 0.030 1 879 84 84 ASN HA H 5.339 0.030 1 880 84 84 ASN HB2 H 3.302 0.030 2 881 84 84 ASN HB3 H 2.350 0.030 2 882 84 84 ASN HD21 H 7.516 0.030 2 883 84 84 ASN HD22 H 7.060 0.030 2 884 84 84 ASN C C 178.035 0.300 1 885 84 84 ASN CA C 51.719 0.300 1 886 84 84 ASN CB C 39.115 0.300 1 887 84 84 ASN N N 121.019 0.300 1 888 84 84 ASN ND2 N 110.643 0.300 1 889 85 85 LYS H H 8.488 0.030 1 890 85 85 LYS HA H 4.758 0.030 1 891 85 85 LYS HB2 H 1.786 0.030 2 892 85 85 LYS HB3 H 1.657 0.030 2 893 85 85 LYS HD2 H 1.536 0.030 2 894 85 85 LYS HD3 H 1.415 0.030 2 895 85 85 LYS HE2 H 3.026 0.030 2 896 85 85 LYS HE3 H 2.927 0.030 2 897 85 85 LYS HG2 H 1.456 0.030 1 898 85 85 LYS HG3 H 1.456 0.030 1 899 85 85 LYS C C 175.935 0.300 1 900 85 85 LYS CA C 57.512 0.300 1 901 85 85 LYS CB C 34.412 0.300 1 902 85 85 LYS CD C 28.886 0.300 1 903 85 85 LYS CE C 42.674 0.300 1 904 85 85 LYS CG C 26.374 0.300 1 905 85 85 LYS N N 122.422 0.300 1 906 86 86 GLY H H 9.345 0.030 1 907 86 86 GLY HA2 H 4.700 0.030 2 908 86 86 GLY HA3 H 3.129 0.030 2 909 86 86 GLY C C 171.746 0.300 1 910 86 86 GLY CA C 43.354 0.300 1 911 86 86 GLY N N 108.695 0.300 1 912 87 87 LEU H H 9.070 0.030 1 913 87 87 LEU HA H 5.091 0.030 1 914 87 87 LEU HB2 H 1.791 0.030 2 915 87 87 LEU HB3 H 1.366 0.030 2 916 87 87 LEU HD1 H 0.893 0.030 1 917 87 87 LEU HD2 H 0.951 0.030 1 918 87 87 LEU HG H 1.843 0.030 1 919 87 87 LEU C C 175.704 0.300 1 920 87 87 LEU CA C 52.697 0.300 1 921 87 87 LEU CB C 43.662 0.300 1 922 87 87 LEU CD1 C 26.241 0.300 2 923 87 87 LEU CD2 C 22.582 0.300 2 924 87 87 LEU CG C 26.470 0.300 1 925 87 87 LEU N N 118.162 0.300 1 926 88 88 GLN H H 8.667 0.030 1 927 88 88 GLN HA H 4.371 0.030 1 928 88 88 GLN HB2 H 1.818 0.030 2 929 88 88 GLN HB3 H 1.612 0.030 2 930 88 88 GLN HE21 H 7.158 0.030 2 931 88 88 GLN HE22 H 6.682 0.030 2 932 88 88 GLN HG2 H 1.926 0.030 2 933 88 88 GLN HG3 H 1.751 0.030 2 934 88 88 GLN C C 173.774 0.300 1 935 88 88 GLN CA C 56.218 0.300 1 936 88 88 GLN CB C 29.815 0.300 1 937 88 88 GLN CG C 34.923 0.300 1 938 88 88 GLN N N 125.080 0.300 1 939 88 88 GLN NE2 N 110.718 0.300 1 940 89 89 LEU H H 8.993 0.030 1 941 89 89 LEU HA H 5.548 0.030 1 942 89 89 LEU HB2 H 2.000 0.030 2 943 89 89 LEU HB3 H 1.044 0.030 2 944 89 89 LEU HD1 H 0.474 0.030 1 945 89 89 LEU HD2 H 0.754 0.030 1 946 89 89 LEU HG H 1.809 0.030 1 947 89 89 LEU C C 176.493 0.300 1 948 89 89 LEU CA C 52.726 0.300 1 949 89 89 LEU CB C 44.072 0.300 1 950 89 89 LEU CD1 C 25.972 0.300 2 951 89 89 LEU CD2 C 27.407 0.300 2 952 89 89 LEU CG C 25.488 0.300 1 953 89 89 LEU N N 126.270 0.300 1 954 90 90 ARG H H 9.684 0.030 1 955 90 90 ARG HA H 5.489 0.030 1 956 90 90 ARG HB2 H 1.851 0.030 2 957 90 90 ARG HB3 H 1.790 0.030 2 958 90 90 ARG HD2 H 3.202 0.030 1 959 90 90 ARG HD3 H 3.202 0.030 1 960 90 90 ARG HE H 6.884 0.030 1 961 90 90 ARG HG2 H 1.654 0.030 2 962 90 90 ARG HG3 H 1.620 0.030 2 963 90 90 ARG C C 175.971 0.300 1 964 90 90 ARG CA C 54.794 0.300 1 965 90 90 ARG CB C 34.930 0.300 1 966 90 90 ARG CD C 44.134 0.300 1 967 90 90 ARG CG C 27.496 0.300 1 968 90 90 ARG N N 123.183 0.300 1 969 90 90 ARG NE N 82.465 0.300 1 970 91 91 HIS H H 9.381 0.030 1 971 91 91 HIS HA H 4.966 0.030 1 972 91 91 HIS HB2 H 2.912 0.030 2 973 91 91 HIS HB3 H 3.467 0.030 2 974 91 91 HIS HD2 H 7.069 0.030 1 975 91 91 HIS HE1 H 8.195 0.030 1 976 91 91 HIS C C 174.708 0.300 1 977 91 91 HIS CA C 55.268 0.300 1 978 91 91 HIS CB C 29.848 0.300 1 979 91 91 HIS CE1 C 137.830 0.300 1 980 91 91 HIS N N 132.514 0.300 1 981 92 92 GLY H H 8.659 0.030 1 982 92 92 GLY HA2 H 3.523 0.030 1 983 92 92 GLY HA3 H 3.523 0.030 1 984 92 92 GLY C C 172.997 0.300 1 985 92 92 GLY CA C 46.954 0.300 1 986 92 92 GLY N N 115.017 0.300 1 987 93 93 ASN H H 8.810 0.030 1 988 93 93 ASN HA H 4.624 0.030 1 989 93 93 ASN HB2 H 2.880 0.030 2 990 93 93 ASN HB3 H 2.799 0.030 2 991 93 93 ASN HD21 H 7.619 0.030 2 992 93 93 ASN HD22 H 6.921 0.030 2 993 93 93 ASN C C 175.048 0.300 1 994 93 93 ASN CA C 53.362 0.300 1 995 93 93 ASN CB C 38.877 0.300 1 996 93 93 ASN N N 123.678 0.300 1 997 93 93 ASN ND2 N 111.099 0.300 1 998 94 94 ASP H H 7.922 0.030 1 999 94 94 ASP HA H 4.722 0.030 1 1000 94 94 ASP HB2 H 3.200 0.030 2 1001 94 94 ASP HB3 H 2.809 0.030 2 1002 94 94 ASP C C 174.976 0.300 1 1003 94 94 ASP CA C 54.323 0.300 1 1004 94 94 ASP CB C 43.007 0.300 1 1005 94 94 ASP N N 121.195 0.300 1 1006 95 95 GLN H H 8.597 0.030 1 1007 95 95 GLN HA H 5.602 0.030 1 1008 95 95 GLN HB2 H 2.002 0.030 2 1009 95 95 GLN HB3 H 1.750 0.030 2 1010 95 95 GLN HE21 H 7.435 0.030 2 1011 95 95 GLN HE22 H 6.848 0.030 2 1012 95 95 GLN HG2 H 2.027 0.030 2 1013 95 95 GLN HG3 H 1.909 0.030 2 1014 95 95 GLN C C 174.138 0.300 1 1015 95 95 GLN CA C 54.914 0.300 1 1016 95 95 GLN CB C 32.370 0.300 1 1017 95 95 GLN CG C 35.313 0.300 1 1018 95 95 GLN N N 127.782 0.300 1 1019 95 95 GLN NE2 N 112.081 0.300 1 1020 96 96 ARG H H 8.523 0.030 1 1021 96 96 ARG HA H 4.654 0.030 1 1022 96 96 ARG HB2 H 1.774 0.030 2 1023 96 96 ARG HB3 H 1.652 0.030 2 1024 96 96 ARG HD2 H 3.009 0.030 2 1025 96 96 ARG HD3 H 2.916 0.030 2 1026 96 96 ARG HG2 H 1.519 0.030 2 1027 96 96 ARG HG3 H 1.413 0.030 2 1028 96 96 ARG C C 173.980 0.300 1 1029 96 96 ARG CA C 54.874 0.300 1 1030 96 96 ARG CB C 34.611 0.300 1 1031 96 96 ARG CD C 43.547 0.300 1 1032 96 96 ARG CG C 26.729 0.300 1 1033 96 96 ARG N N 123.895 0.300 1 1034 97 97 VAL H H 8.217 0.030 1 1035 97 97 VAL HA H 4.968 0.030 1 1036 97 97 VAL HB H 1.748 0.030 1 1037 97 97 VAL HG1 H 0.590 0.030 1 1038 97 97 VAL HG2 H 0.841 0.030 1 1039 97 97 VAL C C 176.372 0.300 1 1040 97 97 VAL CA C 61.679 0.300 1 1041 97 97 VAL CB C 32.639 0.300 1 1042 97 97 VAL CG1 C 21.209 0.300 2 1043 97 97 VAL CG2 C 22.479 0.300 2 1044 97 97 VAL N N 121.123 0.300 1 1045 98 98 PHE H H 9.105 0.030 1 1046 98 98 PHE HA H 5.091 0.030 1 1047 98 98 PHE HB2 H 3.182 0.030 2 1048 98 98 PHE HB3 H 2.590 0.030 2 1049 98 98 PHE HD1 H 7.089 0.030 1 1050 98 98 PHE HD2 H 7.089 0.030 1 1051 98 98 PHE HE1 H 7.144 0.030 1 1052 98 98 PHE HE2 H 7.144 0.030 1 1053 98 98 PHE HZ H 6.993 0.030 1 1054 98 98 PHE C C 176.250 0.300 1 1055 98 98 PHE CA C 56.157 0.300 1 1056 98 98 PHE CB C 44.566 0.300 1 1057 98 98 PHE CD1 C 132.503 0.300 1 1058 98 98 PHE CD2 C 132.503 0.300 1 1059 98 98 PHE CE1 C 131.535 0.300 1 1060 98 98 PHE CE2 C 131.535 0.300 1 1061 98 98 PHE CZ C 128.925 0.300 1 1062 98 98 PHE N N 124.849 0.300 1 1063 99 99 ARG H H 9.130 0.030 1 1064 99 99 ARG HA H 4.371 0.030 1 1065 99 99 ARG HB2 H 1.770 0.030 2 1066 99 99 ARG HB3 H 1.226 0.030 2 1067 99 99 ARG HD2 H 2.670 0.030 2 1068 99 99 ARG HD3 H 2.177 0.030 2 1069 99 99 ARG HG2 H 1.905 0.030 2 1070 99 99 ARG HG3 H 1.174 0.030 2 1071 99 99 ARG C C 177.015 0.300 1 1072 99 99 ARG CA C 57.695 0.300 1 1073 99 99 ARG CB C 33.033 0.300 1 1074 99 99 ARG CD C 43.579 0.300 1 1075 99 99 ARG CG C 28.486 0.300 1 1076 99 99 ARG N N 119.359 0.300 1 1077 100 100 LEU H H 8.606 0.030 1 1078 100 100 LEU HA H 3.914 0.030 1 1079 100 100 LEU HB2 H 2.009 0.030 2 1080 100 100 LEU HB3 H 1.682 0.030 2 1081 100 100 LEU HD1 H 0.992 0.030 1 1082 100 100 LEU HD2 H 0.996 0.030 1 1083 100 100 LEU HG H 1.874 0.030 1 1084 100 100 LEU C C 176.894 0.300 1 1085 100 100 LEU CA C 58.402 0.300 1 1086 100 100 LEU CB C 42.015 0.300 1 1087 100 100 LEU CD1 C 25.253 0.300 2 1088 100 100 LEU CD2 C 26.685 0.300 2 1089 100 100 LEU CG C 30.583 0.300 1 1090 100 100 LEU N N 117.436 0.300 1 1091 101 101 GLU H H 6.493 0.030 1 1092 101 101 GLU HA H 3.947 0.030 1 1093 101 101 GLU HB2 H 2.041 0.030 2 1094 101 101 GLU HB3 H 1.592 0.030 2 1095 101 101 GLU HG2 H 1.238 0.030 2 1096 101 101 GLU HG3 H 0.843 0.030 2 1097 101 101 GLU C C 174.951 0.300 1 1098 101 101 GLU CA C 57.549 0.300 1 1099 101 101 GLU CB C 29.569 0.300 1 1100 101 101 GLU CG C 34.586 0.300 1 1101 101 101 GLU N N 110.617 0.300 1 1102 102 102 PHE H H 6.831 0.030 1 1103 102 102 PHE HA H 4.770 0.030 1 1104 102 102 PHE HB2 H 3.892 0.030 2 1105 102 102 PHE HB3 H 2.733 0.030 2 1106 102 102 PHE HD1 H 7.368 0.030 1 1107 102 102 PHE HD2 H 7.368 0.030 1 1108 102 102 PHE HE1 H 7.332 0.030 1 1109 102 102 PHE HE2 H 7.332 0.030 1 1110 102 102 PHE C C 176.298 0.300 1 1111 102 102 PHE CA C 58.502 0.300 1 1112 102 102 PHE CB C 39.313 0.300 1 1113 102 102 PHE CD1 C 131.084 0.300 1 1114 102 102 PHE CD2 C 131.084 0.300 1 1115 102 102 PHE CE1 C 131.789 0.300 1 1116 102 102 PHE CE2 C 131.789 0.300 1 1117 102 102 PHE N N 115.692 0.300 1 1118 103 103 VAL H H 7.558 0.030 1 1119 103 103 VAL HA H 4.028 0.030 1 1120 103 103 VAL HB H 2.032 0.030 1 1121 103 103 VAL HG1 H 1.068 0.030 1 1122 103 103 VAL HG2 H 0.876 0.030 1 1123 103 103 VAL C C 174.563 0.300 1 1124 103 103 VAL CA C 64.048 0.300 1 1125 103 103 VAL CB C 32.011 0.300 1 1126 103 103 VAL CG1 C 21.725 0.300 2 1127 103 103 VAL CG2 C 23.067 0.300 2 1128 103 103 VAL N N 124.050 0.300 1 1129 104 104 SER H H 9.047 0.030 1 1130 104 104 SER HA H 4.592 0.030 1 1131 104 104 SER HB2 H 3.948 0.030 2 1132 104 104 SER HB3 H 3.525 0.030 2 1133 104 104 SER C C 176.117 0.300 1 1134 104 104 SER CA C 56.959 0.300 1 1135 104 104 SER CB C 64.667 0.300 1 1136 104 104 SER N N 119.451 0.300 1 1137 105 105 ASN HA H 4.813 0.030 1 1138 105 105 ASN HB2 H 3.004 0.030 2 1139 105 105 ASN HB3 H 2.725 0.030 2 1140 105 105 ASN HD21 H 7.564 0.030 2 1141 105 105 ASN HD22 H 6.498 0.030 2 1142 105 105 ASN C C 175.631 0.300 1 1143 105 105 ASN CA C 54.500 0.300 1 1144 105 105 ASN CB C 38.839 0.300 1 1145 105 105 ASN ND2 N 112.632 0.300 1 1146 106 106 GLN H H 8.083 0.030 1 1147 106 106 GLN HA H 4.246 0.030 1 1148 106 106 GLN HB2 H 2.025 0.030 2 1149 106 106 GLN HB3 H 1.618 0.030 2 1150 106 106 GLN HG2 H 2.308 0.030 2 1151 106 106 GLN HG3 H 2.215 0.030 2 1152 106 106 GLN C C 173.057 0.300 1 1153 106 106 GLN CA C 55.510 0.300 1 1154 106 106 GLN CB C 30.310 0.300 1 1155 106 106 GLN CG C 34.966 0.300 1 1156 106 106 GLN N N 121.760 0.300 1 1157 107 107 GLU H H 7.695 0.030 1 1158 107 107 GLU HA H 3.564 0.030 1 1159 107 107 GLU HB2 H 1.768 0.030 2 1160 107 107 GLU HB3 H 1.705 0.030 2 1161 107 107 GLU HG2 H 2.116 0.030 2 1162 107 107 GLU HG3 H 2.039 0.030 2 1163 107 107 GLU C C 176.894 0.300 1 1164 107 107 GLU CA C 55.631 0.300 1 1165 107 107 GLU CB C 30.268 0.300 1 1166 107 107 GLU CG C 36.202 0.300 1 1167 107 107 GLU N N 114.909 0.300 1 1168 108 108 PHE H H 7.949 0.030 1 1169 108 108 PHE HA H 4.903 0.030 1 1170 108 108 PHE HB2 H 3.085 0.030 2 1171 108 108 PHE HB3 H 2.723 0.030 2 1172 108 108 PHE HD1 H 6.991 0.030 1 1173 108 108 PHE HD2 H 6.991 0.030 1 1174 108 108 PHE HE1 H 7.012 0.030 1 1175 108 108 PHE HE2 H 7.012 0.030 1 1176 108 108 PHE HZ H 6.862 0.030 1 1177 108 108 PHE C C 177.659 0.300 1 1178 108 108 PHE CA C 56.487 0.300 1 1179 108 108 PHE CB C 39.442 0.300 1 1180 108 108 PHE CD1 C 131.662 0.300 1 1181 108 108 PHE CD2 C 131.662 0.300 1 1182 108 108 PHE CE1 C 131.259 0.300 1 1183 108 108 PHE CE2 C 131.259 0.300 1 1184 108 108 PHE CZ C 128.630 0.300 1 1185 108 108 PHE N N 115.291 0.300 1 1186 109 109 THR H H 8.468 0.030 1 1187 109 109 THR HA H 4.515 0.030 1 1188 109 109 THR HB H 4.790 0.030 1 1189 109 109 THR HG2 H 1.309 0.030 1 1190 109 109 THR C C 175.534 0.300 1 1191 109 109 THR CA C 59.795 0.300 1 1192 109 109 THR CB C 71.787 0.300 1 1193 109 109 THR CG2 C 21.372 0.300 1 1194 109 109 THR N N 113.437 0.300 1 1195 110 110 GLU H H 9.152 0.030 1 1196 110 110 GLU HA H 3.958 0.030 1 1197 110 110 GLU HB2 H 2.231 0.030 2 1198 110 110 GLU HB3 H 2.192 0.030 2 1199 110 110 GLU HG2 H 2.356 0.030 1 1200 110 110 GLU HG3 H 2.356 0.030 1 1201 110 110 GLU C C 178.606 0.300 1 1202 110 110 GLU CA C 60.789 0.300 1 1203 110 110 GLU CB C 29.517 0.300 1 1204 110 110 GLU CG C 36.614 0.300 1 1205 110 110 GLU N N 121.329 0.300 1 1206 111 111 SER H H 8.691 0.030 1 1207 111 111 SER HA H 4.311 0.030 1 1208 111 111 SER HB2 H 4.005 0.030 2 1209 111 111 SER HB3 H 3.956 0.030 2 1210 111 111 SER C C 177.803 0.300 1 1211 111 111 SER CA C 61.574 0.300 1 1212 111 111 SER CB C 62.732 0.300 1 1213 111 111 SER N N 113.859 0.300 1 1214 112 112 GLU H H 7.787 0.030 1 1215 112 112 GLU HA H 4.105 0.030 1 1216 112 112 GLU HB2 H 2.349 0.030 2 1217 112 112 GLU HB3 H 1.936 0.030 2 1218 112 112 GLU HG2 H 2.632 0.030 2 1219 112 112 GLU HG3 H 2.224 0.030 2 1220 112 112 GLU C C 180.439 0.300 1 1221 112 112 GLU CA C 58.873 0.300 1 1222 112 112 GLU CB C 28.470 0.300 1 1223 112 112 GLU CG C 36.531 0.300 1 1224 112 112 GLU N N 122.312 0.300 1 1225 113 113 PHE H H 8.664 0.030 1 1226 113 113 PHE HA H 4.044 0.030 1 1227 113 113 PHE HB2 H 3.477 0.030 2 1228 113 113 PHE HB3 H 2.820 0.030 2 1229 113 113 PHE HD1 H 7.012 0.030 1 1230 113 113 PHE HD2 H 7.012 0.030 1 1231 113 113 PHE HE1 H 7.183 0.030 1 1232 113 113 PHE HE2 H 7.183 0.030 1 1233 113 113 PHE HZ H 6.855 0.030 1 1234 113 113 PHE C C 176.202 0.300 1 1235 113 113 PHE CA C 62.534 0.300 1 1236 113 113 PHE CB C 40.257 0.300 1 1237 113 113 PHE CD1 C 131.260 0.300 1 1238 113 113 PHE CD2 C 131.260 0.300 1 1239 113 113 PHE CE1 C 131.293 0.300 1 1240 113 113 PHE CE2 C 131.293 0.300 1 1241 113 113 PHE CZ C 128.954 0.300 1 1242 113 113 PHE N N 122.269 0.300 1 1243 114 114 MET H H 8.912 0.030 1 1244 114 114 MET HA H 4.127 0.030 1 1245 114 114 MET HB2 H 2.355 0.030 2 1246 114 114 MET HB3 H 2.232 0.030 2 1247 114 114 MET HE H 2.207 0.030 1 1248 114 114 MET HG2 H 2.908 0.030 1 1249 114 114 MET HG3 H 2.908 0.030 1 1250 114 114 MET C C 179.249 0.300 1 1251 114 114 MET CA C 58.422 0.300 1 1252 114 114 MET CB C 31.531 0.300 1 1253 114 114 MET CE C 17.133 0.300 1 1254 114 114 MET CG C 32.658 0.300 1 1255 114 114 MET N N 118.679 0.300 1 1256 115 115 LYS H H 8.343 0.030 1 1257 115 115 LYS HA H 4.160 0.030 1 1258 115 115 LYS HB2 H 2.065 0.030 1 1259 115 115 LYS HB3 H 2.065 0.030 1 1260 115 115 LYS HD2 H 1.767 0.030 1 1261 115 115 LYS HD3 H 1.767 0.030 1 1262 115 115 LYS HE2 H 3.021 0.030 1 1263 115 115 LYS HE3 H 3.021 0.030 1 1264 115 115 LYS HG2 H 1.736 0.030 2 1265 115 115 LYS HG3 H 1.672 0.030 2 1266 115 115 LYS C C 179.480 0.300 1 1267 115 115 LYS CA C 58.893 0.300 1 1268 115 115 LYS CB C 32.168 0.300 1 1269 115 115 LYS CD C 28.621 0.300 1 1270 115 115 LYS CE C 42.241 0.300 1 1271 115 115 LYS CG C 25.358 0.300 1 1272 115 115 LYS N N 120.099 0.300 1 1273 116 116 TRP H H 7.931 0.030 1 1274 116 116 TRP HA H 3.998 0.030 1 1275 116 116 TRP HB2 H 3.409 0.030 2 1276 116 116 TRP HB3 H 3.165 0.030 2 1277 116 116 TRP HD1 H 6.525 0.030 1 1278 116 116 TRP HE1 H 10.917 0.030 1 1279 116 116 TRP HE3 H 6.821 0.030 1 1280 116 116 TRP HH2 H 6.647 0.030 1 1281 116 116 TRP HZ2 H 7.467 0.030 1 1282 116 116 TRP HZ3 H 6.446 0.030 1 1283 116 116 TRP C C 176.262 0.300 1 1284 116 116 TRP CA C 61.193 0.300 1 1285 116 116 TRP CB C 27.261 0.300 1 1286 116 116 TRP CD1 C 124.998 0.300 1 1287 116 116 TRP CE3 C 119.671 0.300 1 1288 116 116 TRP CH2 C 122.819 0.300 1 1289 116 116 TRP CZ2 C 113.915 0.300 1 1290 116 116 TRP CZ3 C 121.256 0.300 1 1291 116 116 TRP N N 121.811 0.300 1 1292 116 116 TRP NE1 N 132.731 0.300 1 1293 117 117 LYS H H 8.396 0.030 1 1294 117 117 LYS HA H 2.696 0.030 1 1295 117 117 LYS HB2 H 1.534 0.030 2 1296 117 117 LYS HB3 H 1.400 0.030 2 1297 117 117 LYS HD2 H 1.578 0.030 2 1298 117 117 LYS HD3 H 1.539 0.030 2 1299 117 117 LYS HE2 H 2.901 0.030 1 1300 117 117 LYS HE3 H 2.901 0.030 1 1301 117 117 LYS HG2 H 1.045 0.030 2 1302 117 117 LYS HG3 H 0.868 0.030 2 1303 117 117 LYS C C 178.715 0.300 1 1304 117 117 LYS CA C 60.535 0.300 1 1305 117 117 LYS CB C 31.644 0.300 1 1306 117 117 LYS CD C 30.084 0.300 1 1307 117 117 LYS CE C 41.640 0.300 1 1308 117 117 LYS CG C 24.995 0.300 1 1309 117 117 LYS N N 119.934 0.300 1 1310 118 118 GLU H H 7.783 0.030 1 1311 118 118 GLU HA H 3.965 0.030 1 1312 118 118 GLU HB2 H 2.135 0.030 2 1313 118 118 GLU HB3 H 2.095 0.030 2 1314 118 118 GLU HG2 H 2.429 0.030 2 1315 118 118 GLU HG3 H 2.207 0.030 2 1316 118 118 GLU C C 178.873 0.300 1 1317 118 118 GLU CA C 59.384 0.300 1 1318 118 118 GLU CB C 29.391 0.300 1 1319 118 118 GLU CG C 36.360 0.300 1 1320 118 118 GLU N N 117.885 0.300 1 1321 119 119 ALA H H 7.854 0.030 1 1322 119 119 ALA HA H 4.076 0.030 1 1323 119 119 ALA HB H 1.214 0.030 1 1324 119 119 ALA C C 181.350 0.300 1 1325 119 119 ALA CA C 55.026 0.300 1 1326 119 119 ALA CB C 17.792 0.300 1 1327 119 119 ALA N N 124.765 0.300 1 1328 120 120 MET H H 8.150 0.030 1 1329 120 120 MET HA H 3.854 0.030 1 1330 120 120 MET HB2 H 1.476 0.030 2 1331 120 120 MET HB3 H 1.359 0.030 2 1332 120 120 MET HE H 1.785 0.030 1 1333 120 120 MET HG2 H 1.119 0.030 2 1334 120 120 MET HG3 H 0.454 0.030 2 1335 120 120 MET C C 178.132 0.300 1 1336 120 120 MET CA C 57.093 0.300 1 1337 120 120 MET CB C 29.823 0.300 1 1338 120 120 MET CE C 18.733 0.300 1 1339 120 120 MET CG C 30.711 0.300 1 1340 120 120 MET N N 119.017 0.300 1 1341 121 121 PHE H H 8.125 0.030 1 1342 121 121 PHE HA H 4.303 0.030 1 1343 121 121 PHE HB2 H 3.203 0.030 2 1344 121 121 PHE HB3 H 3.110 0.030 2 1345 121 121 PHE HD1 H 7.192 0.030 1 1346 121 121 PHE HD2 H 7.192 0.030 1 1347 121 121 PHE HE1 H 7.276 0.030 1 1348 121 121 PHE HE2 H 7.276 0.030 1 1349 121 121 PHE HZ H 7.263 0.030 1 1350 121 121 PHE C C 180.949 0.300 1 1351 121 121 PHE CA C 60.313 0.300 1 1352 121 121 PHE CB C 38.078 0.300 1 1353 121 121 PHE CD1 C 131.293 0.300 1 1354 121 121 PHE CD2 C 131.293 0.300 1 1355 121 121 PHE CE1 C 131.293 0.300 1 1356 121 121 PHE CE2 C 131.293 0.300 1 1357 121 121 PHE CZ C 129.663 0.300 1 1358 121 121 PHE N N 120.098 0.300 1 1359 122 122 SER H H 8.670 0.030 1 1360 122 122 SER HA H 4.092 0.030 1 1361 122 122 SER HB2 H 4.001 0.030 2 1362 122 122 SER HB3 H 3.959 0.030 2 1363 122 122 SER C C 175.303 0.300 1 1364 122 122 SER CA C 61.525 0.300 1 1365 122 122 SER CB C 62.777 0.300 1 1366 122 122 SER N N 116.909 0.300 1 1367 123 123 ALA H H 7.354 0.030 1 1368 123 123 ALA HA H 4.345 0.030 1 1369 123 123 ALA HB H 1.384 0.030 1 1370 123 123 ALA C C 177.233 0.300 1 1371 123 123 ALA CA C 51.814 0.300 1 1372 123 123 ALA CB C 19.772 0.300 1 1373 123 123 ALA N N 120.474 0.300 1 1374 124 124 GLY H H 7.775 0.030 1 1375 124 124 GLY HA2 H 3.843 0.030 2 1376 124 124 GLY HA3 H 3.747 0.030 2 1377 124 124 GLY C C 174.915 0.300 1 1378 124 124 GLY CA C 46.177 0.300 1 1379 124 124 GLY N N 108.813 0.300 1 1380 125 125 MET H H 7.928 0.030 1 1381 125 125 MET HA H 4.355 0.030 1 1382 125 125 MET HB2 H 1.932 0.030 2 1383 125 125 MET HB3 H 1.713 0.030 2 1384 125 125 MET HE H 1.958 0.030 1 1385 125 125 MET HG2 H 2.378 0.030 2 1386 125 125 MET HG3 H 2.267 0.030 2 1387 125 125 MET C C 174.952 0.300 1 1388 125 125 MET CA C 54.859 0.300 1 1389 125 125 MET CB C 34.446 0.300 1 1390 125 125 MET CE C 17.495 0.300 1 1391 125 125 MET CG C 32.411 0.300 1 1392 125 125 MET N N 118.992 0.300 1 1393 126 126 GLN H H 8.406 0.030 1 1394 126 126 GLN HA H 4.159 0.030 1 1395 126 126 GLN HB2 H 2.047 0.030 2 1396 126 126 GLN HB3 H 1.931 0.030 2 1397 126 126 GLN HE21 H 7.664 0.030 2 1398 126 126 GLN HE22 H 6.828 0.030 2 1399 126 126 GLN HG2 H 2.406 0.030 1 1400 126 126 GLN HG3 H 2.406 0.030 1 1401 126 126 GLN C C 175.643 0.300 1 1402 126 126 GLN CA C 55.082 0.300 1 1403 126 126 GLN CB C 29.527 0.300 1 1404 126 126 GLN CG C 33.730 0.300 1 1405 126 126 GLN N N 121.227 0.300 1 1406 126 126 GLN NE2 N 113.394 0.300 1 1407 127 127 LEU H H 8.388 0.030 1 1408 127 127 LEU HA H 4.212 0.030 1 1409 127 127 LEU HB2 H 1.670 0.030 2 1410 127 127 LEU HB3 H 1.575 0.030 2 1411 127 127 LEU HD1 H 0.870 0.030 1 1412 127 127 LEU HD2 H 0.333 0.030 1 1413 127 127 LEU HG H 1.723 0.030 1 1414 127 127 LEU C C 175.194 0.300 1 1415 127 127 LEU CA C 53.544 0.300 1 1416 127 127 LEU CB C 40.322 0.300 1 1417 127 127 LEU CD1 C 25.706 0.300 2 1418 127 127 LEU CD2 C 23.294 0.300 2 1419 127 127 LEU CG C 27.736 0.300 1 1420 127 127 LEU N N 122.681 0.300 1 1421 128 128 PRO HA H 4.818 0.030 1 1422 128 128 PRO HB2 H 2.580 0.030 2 1423 128 128 PRO HB3 H 1.836 0.030 2 1424 128 128 PRO HD2 H 4.196 0.030 2 1425 128 128 PRO HD3 H 3.789 0.030 2 1426 128 128 PRO HG2 H 2.378 0.030 2 1427 128 128 PRO HG3 H 2.060 0.030 2 1428 128 128 PRO C C 175.631 0.300 1 1429 128 128 PRO CA C 62.718 0.300 1 1430 128 128 PRO CB C 32.025 0.300 1 1431 128 128 PRO CD C 50.382 0.300 1 1432 128 128 PRO CG C 27.405 0.300 1 1433 129 129 THR H H 8.395 0.030 1 1434 129 129 THR HA H 4.913 0.030 1 1435 129 129 THR HB H 4.499 0.030 1 1436 129 129 THR HG2 H 1.198 0.030 1 1437 129 129 THR C C 176.457 0.300 1 1438 129 129 THR CA C 59.626 0.300 1 1439 129 129 THR CB C 71.545 0.300 1 1440 129 129 THR CG2 C 22.090 0.300 1 1441 129 129 THR N N 110.758 0.300 1 1442 130 130 LEU H H 8.755 0.030 1 1443 130 130 LEU HA H 3.980 0.030 1 1444 130 130 LEU HB2 H 1.767 0.030 2 1445 130 130 LEU HB3 H 1.571 0.030 2 1446 130 130 LEU HD1 H 0.914 0.030 1 1447 130 130 LEU HD2 H 0.821 0.030 1 1448 130 130 LEU HG H 1.720 0.030 1 1449 130 130 LEU C C 179.261 0.300 1 1450 130 130 LEU CA C 57.655 0.300 1 1451 130 130 LEU CB C 40.767 0.300 1 1452 130 130 LEU CD1 C 24.527 0.300 2 1453 130 130 LEU CD2 C 22.333 0.300 2 1454 130 130 LEU CG C 27.133 0.300 1 1455 130 130 LEU N N 120.402 0.300 1 1456 131 131 ASP H H 8.327 0.030 1 1457 131 131 ASP HA H 4.452 0.030 1 1458 131 131 ASP HB2 H 2.618 0.030 2 1459 131 131 ASP HB3 H 2.592 0.030 2 1460 131 131 ASP C C 178.557 0.300 1 1461 131 131 ASP CA C 57.571 0.300 1 1462 131 131 ASP CB C 41.270 0.300 1 1463 131 131 ASP N N 118.275 0.300 1 1464 132 132 GLU H H 7.579 0.030 1 1465 132 132 GLU HA H 3.984 0.030 1 1466 132 132 GLU HB2 H 2.453 0.030 2 1467 132 132 GLU HB3 H 2.108 0.030 2 1468 132 132 GLU HG2 H 2.407 0.030 2 1469 132 132 GLU HG3 H 2.351 0.030 2 1470 132 132 GLU C C 180.075 0.300 1 1471 132 132 GLU CA C 59.456 0.300 1 1472 132 132 GLU CB C 29.439 0.300 1 1473 132 132 GLU CG C 37.296 0.300 1 1474 132 132 GLU N N 119.953 0.300 1 1475 133 133 ILE H H 8.243 0.030 1 1476 133 133 ILE HA H 3.811 0.030 1 1477 133 133 ILE HB H 2.166 0.030 1 1478 133 133 ILE HD1 H 0.696 0.030 1 1479 133 133 ILE HG12 H 1.519 0.030 2 1480 133 133 ILE HG13 H 1.367 0.030 2 1481 133 133 ILE HG2 H 0.937 0.030 1 1482 133 133 ILE C C 177.428 0.300 1 1483 133 133 ILE CA C 63.509 0.300 1 1484 133 133 ILE CB C 36.622 0.300 1 1485 133 133 ILE CD1 C 11.459 0.300 1 1486 133 133 ILE CG1 C 28.402 0.300 1 1487 133 133 ILE CG2 C 17.436 0.300 1 1488 133 133 ILE N N 120.914 0.300 1 1489 134 134 ASN H H 8.680 0.030 1 1490 134 134 ASN HA H 4.437 0.030 1 1491 134 134 ASN HB2 H 3.034 0.030 2 1492 134 134 ASN HB3 H 2.851 0.030 2 1493 134 134 ASN HD21 H 7.723 0.030 2 1494 134 134 ASN HD22 H 6.830 0.030 2 1495 134 134 ASN C C 178.411 0.300 1 1496 134 134 ASN CA C 56.389 0.300 1 1497 134 134 ASN CB C 38.277 0.300 1 1498 134 134 ASN N N 119.052 0.300 1 1499 134 134 ASN ND2 N 111.226 0.300 1 1500 135 135 LYS H H 7.921 0.030 1 1501 135 135 LYS HA H 4.040 0.030 1 1502 135 135 LYS HB2 H 1.918 0.030 1 1503 135 135 LYS HB3 H 1.918 0.030 1 1504 135 135 LYS HD2 H 1.676 0.030 1 1505 135 135 LYS HD3 H 1.676 0.030 1 1506 135 135 LYS HE2 H 2.967 0.030 1 1507 135 135 LYS HE3 H 2.967 0.030 1 1508 135 135 LYS HG2 H 1.656 0.030 2 1509 135 135 LYS HG3 H 1.459 0.030 2 1510 135 135 LYS C C 179.735 0.300 1 1511 135 135 LYS CA C 59.843 0.300 1 1512 135 135 LYS CB C 32.617 0.300 1 1513 135 135 LYS CD C 29.335 0.300 1 1514 135 135 LYS CE C 42.103 0.300 1 1515 135 135 LYS CG C 25.654 0.300 1 1516 135 135 LYS N N 119.087 0.300 1 1517 136 136 LYS H H 8.084 0.030 1 1518 136 136 LYS HA H 4.297 0.030 1 1519 136 136 LYS HB2 H 2.114 0.030 1 1520 136 136 LYS HB3 H 2.114 0.030 1 1521 136 136 LYS HD2 H 1.899 0.030 2 1522 136 136 LYS HD3 H 1.828 0.030 2 1523 136 136 LYS HE2 H 3.070 0.030 1 1524 136 136 LYS HE3 H 3.070 0.030 1 1525 136 136 LYS HG2 H 1.714 0.030 2 1526 136 136 LYS HG3 H 1.579 0.030 2 1527 136 136 LYS C C 178.873 0.300 1 1528 136 136 LYS CA C 57.462 0.300 1 1529 136 136 LYS CB C 31.073 0.300 1 1530 136 136 LYS CD C 27.917 0.300 1 1531 136 136 LYS CE C 42.877 0.300 1 1532 136 136 LYS CG C 24.026 0.300 1 1533 136 136 LYS N N 121.145 0.300 1 1534 137 137 GLU H H 9.018 0.030 1 1535 137 137 GLU HA H 3.900 0.030 1 1536 137 137 GLU HB2 H 2.267 0.030 2 1537 137 137 GLU HB3 H 2.009 0.030 2 1538 137 137 GLU HG2 H 2.439 0.030 2 1539 137 137 GLU HG3 H 2.178 0.030 2 1540 137 137 GLU C C 178.873 0.300 1 1541 137 137 GLU CA C 60.119 0.300 1 1542 137 137 GLU CB C 29.624 0.300 1 1543 137 137 GLU CG C 36.591 0.300 1 1544 137 137 GLU N N 121.918 0.300 1 1545 138 138 LEU H H 7.760 0.030 1 1546 138 138 LEU HA H 4.106 0.030 1 1547 138 138 LEU HB2 H 1.877 0.030 2 1548 138 138 LEU HB3 H 1.694 0.030 2 1549 138 138 LEU HD1 H 0.895 0.030 1 1550 138 138 LEU HD2 H 0.936 0.030 1 1551 138 138 LEU HG H 1.827 0.030 1 1552 138 138 LEU C C 179.395 0.300 1 1553 138 138 LEU CA C 58.323 0.300 1 1554 138 138 LEU CB C 41.375 0.300 1 1555 138 138 LEU CD1 C 23.738 0.300 2 1556 138 138 LEU CD2 C 24.783 0.300 2 1557 138 138 LEU CG C 26.775 0.300 1 1558 138 138 LEU N N 118.947 0.300 1 1559 139 139 SER H H 7.673 0.030 1 1560 139 139 SER HA H 4.293 0.030 1 1561 139 139 SER HB2 H 4.096 0.030 2 1562 139 139 SER HB3 H 4.064 0.030 2 1563 139 139 SER C C 177.233 0.300 1 1564 139 139 SER CA C 61.766 0.300 1 1565 139 139 SER CB C 63.029 0.300 1 1566 139 139 SER N N 115.300 0.300 1 1567 140 140 ILE H H 8.128 0.030 1 1568 140 140 ILE HA H 3.768 0.030 1 1569 140 140 ILE HB H 2.207 0.030 1 1570 140 140 ILE HD1 H 1.080 0.030 1 1571 140 140 ILE HG12 H 1.916 0.030 2 1572 140 140 ILE HG13 H 1.189 0.030 2 1573 140 140 ILE HG2 H 1.066 0.030 1 1574 140 140 ILE C C 179.067 0.300 1 1575 140 140 ILE CA C 65.205 0.300 1 1576 140 140 ILE CB C 38.483 0.300 1 1577 140 140 ILE CD1 C 14.365 0.300 1 1578 140 140 ILE CG1 C 28.566 0.300 1 1579 140 140 ILE CG2 C 17.584 0.300 1 1580 140 140 ILE N N 122.251 0.300 1 1581 141 141 LYS H H 8.292 0.030 1 1582 141 141 LYS HA H 4.084 0.030 1 1583 141 141 LYS HB2 H 1.997 0.030 1 1584 141 141 LYS HB3 H 1.997 0.030 1 1585 141 141 LYS HD2 H 1.692 0.030 1 1586 141 141 LYS HD3 H 1.692 0.030 1 1587 141 141 LYS HE2 H 2.967 0.030 1 1588 141 141 LYS HE3 H 2.967 0.030 1 1589 141 141 LYS HG2 H 1.663 0.030 2 1590 141 141 LYS HG3 H 1.470 0.030 2 1591 141 141 LYS C C 179.662 0.300 1 1592 141 141 LYS CA C 59.824 0.300 1 1593 141 141 LYS CB C 32.494 0.300 1 1594 141 141 LYS CD C 29.503 0.300 1 1595 141 141 LYS CE C 42.119 0.300 1 1596 141 141 LYS CG C 25.495 0.300 1 1597 141 141 LYS N N 122.866 0.300 1 1598 142 142 GLU H H 8.259 0.030 1 1599 142 142 GLU HA H 4.048 0.030 1 1600 142 142 GLU HB2 H 2.028 0.030 1 1601 142 142 GLU HB3 H 2.028 0.030 1 1602 142 142 GLU HG2 H 2.382 0.030 2 1603 142 142 GLU HG3 H 2.194 0.030 2 1604 142 142 GLU C C 178.096 0.300 1 1605 142 142 GLU CA C 58.571 0.300 1 1606 142 142 GLU CB C 29.596 0.300 1 1607 142 142 GLU CG C 36.499 0.300 1 1608 142 142 GLU N N 119.480 0.300 1 1609 143 143 ALA H H 7.504 0.030 1 1610 143 143 ALA HA H 3.888 0.030 1 1611 143 143 ALA HB H 0.829 0.030 1 1612 143 143 ALA C C 178.144 0.300 1 1613 143 143 ALA CA C 53.323 0.300 1 1614 143 143 ALA CB C 18.946 0.300 1 1615 143 143 ALA N N 120.751 0.300 1 1616 144 144 SER H H 7.780 0.030 1 1617 144 144 SER HA H 4.615 0.030 1 1618 144 144 SER HB2 H 4.101 0.030 2 1619 144 144 SER HB3 H 4.000 0.030 2 1620 144 144 SER C C 174.526 0.300 1 1621 144 144 SER CA C 59.651 0.300 1 1622 144 144 SER CB C 64.036 0.300 1 1623 144 144 SER N N 112.512 0.300 1 1624 145 145 GLY H H 7.798 0.030 1 1625 145 145 GLY HA2 H 4.158 0.030 1 1626 145 145 GLY HA3 H 4.158 0.030 1 1627 145 145 GLY C C 171.867 0.300 1 1628 145 145 GLY CA C 44.978 0.300 1 1629 145 145 GLY N N 109.526 0.300 1 1630 146 146 PRO HA H 4.497 0.030 1 1631 146 146 PRO HB2 H 2.031 0.030 2 1632 146 146 PRO HB3 H 2.325 0.030 2 1633 146 146 PRO HD2 H 3.649 0.030 2 1634 146 146 PRO HG2 H 2.039 0.030 2 1635 146 146 PRO CA C 63.440 0.300 1 1636 146 146 PRO CB C 32.237 0.300 1 1637 146 146 PRO CD C 49.935 0.300 1 1638 146 146 PRO CG C 27.271 0.300 1 stop_ save_