data_19530 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment of RQC domain of human Bloom syndrome protein ; _BMRB_accession_number 19530 _BMRB_flat_file_name bmr19530.str _Entry_type original _Submission_date 2013-09-25 _Accession_date 2013-09-26 _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 Ko Junsang . . 2 Ryu Kyoung-Seok . . 3 Choi Byong-Seok . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 660 "13C chemical shifts" 324 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-12-04 update BMRB 'update polymer type, etc.' 2014-04-24 update BMRB 'update entry citation' 2014-04-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the RecQ C-terminal domain of human Bloom syndrome protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24435566 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Chin-Ju . . 2 Ko Junsang . . 3 Ryu Kyoung-Seok . . 4 Choi Byong-Seok . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 58 _Journal_issue 2 _Journal_ASTM JBNME9 _Journal_ISSN 0925-2738 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 141 _Page_last 147 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BLM RQC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BLM RQC' $BLM_RQC stop_ _System_molecular_weight 16089.5 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BLM_RQC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BLM_RQC _Molecular_mass 16089.5 _Mol_thiol_state 'all free' loop_ _Biological_function 'maintaining genomic integrity, DNA helicase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; CKTKDYKTRDVTDDVKSIVR FVQEHSSSQGMRNIKHVGPS GRFTMNMLVDIFLGSKSAKI QSGIFGKGSAYSRHNAERLF KKLILDKILDEDLYINANDQ AIAYVMLGNKAQTVLNGNLK VDFMETENSSSVKKQKALVA KVSQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 CYS 2 2 LYS 3 3 THR 4 4 LYS 5 5 ASP 6 6 TYR 7 7 LYS 8 8 THR 9 9 ARG 10 10 ASP 11 11 VAL 12 12 THR 13 13 ASP 14 14 ASP 15 15 VAL 16 16 LYS 17 17 SER 18 18 ILE 19 19 VAL 20 20 ARG 21 21 PHE 22 22 VAL 23 23 GLN 24 24 GLU 25 25 HIS 26 26 SER 27 27 SER 28 28 SER 29 29 GLN 30 30 GLY 31 31 MET 32 32 ARG 33 33 ASN 34 34 ILE 35 35 LYS 36 36 HIS 37 37 VAL 38 38 GLY 39 39 PRO 40 40 SER 41 41 GLY 42 42 ARG 43 43 PHE 44 44 THR 45 45 MET 46 46 ASN 47 47 MET 48 48 LEU 49 49 VAL 50 50 ASP 51 51 ILE 52 52 PHE 53 53 LEU 54 54 GLY 55 55 SER 56 56 LYS 57 57 SER 58 58 ALA 59 59 LYS 60 60 ILE 61 61 GLN 62 62 SER 63 63 GLY 64 64 ILE 65 65 PHE 66 66 GLY 67 67 LYS 68 68 GLY 69 69 SER 70 70 ALA 71 71 TYR 72 72 SER 73 73 ARG 74 74 HIS 75 75 ASN 76 76 ALA 77 77 GLU 78 78 ARG 79 79 LEU 80 80 PHE 81 81 LYS 82 82 LYS 83 83 LEU 84 84 ILE 85 85 LEU 86 86 ASP 87 87 LYS 88 88 ILE 89 89 LEU 90 90 ASP 91 91 GLU 92 92 ASP 93 93 LEU 94 94 TYR 95 95 ILE 96 96 ASN 97 97 ALA 98 98 ASN 99 99 ASP 100 100 GLN 101 101 ALA 102 102 ILE 103 103 ALA 104 104 TYR 105 105 VAL 106 106 MET 107 107 LEU 108 108 GLY 109 109 ASN 110 110 LYS 111 111 ALA 112 112 GLN 113 113 THR 114 114 VAL 115 115 LEU 116 116 ASN 117 117 GLY 118 118 ASN 119 119 LEU 120 120 LYS 121 121 VAL 122 122 ASP 123 123 PHE 124 124 MET 125 125 GLU 126 126 THR 127 127 GLU 128 128 ASN 129 129 SER 130 130 SER 131 131 SER 132 132 VAL 133 133 LYS 134 134 LYS 135 135 GLN 136 136 LYS 137 137 ALA 138 138 LEU 139 139 VAL 140 140 ALA 141 141 LYS 142 142 VAL 143 143 SER 144 144 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MH9 "Resonance Assignment Of Rqc Domain Of Human Bloom Syndrome Protein" 100.00 144 100.00 100.00 1.61e-99 PDB 3WE2 "Structure Of Blm Rqc Domain Bound To A Phosphate Ion" 99.31 147 99.30 99.30 5.16e-97 PDB 3WE3 "Structure Of Blm Rqc Domain Bound To An Arsenate Ion" 99.31 147 99.30 99.30 5.16e-97 PDB 4CDG "Crystal Structure Of The Bloom's Syndrome Helicase Blm In Complex With Nanobody" 100.00 673 100.00 100.00 7.65e-93 PDB 4CGZ "Crystal Structure Of The Bloom's Syndrome Helicase Blm In Complex With Dna" 100.00 665 100.00 100.00 5.95e-93 PDB 4O3M "Ternary Complex Of Bloom's Syndrome Helicase" 100.00 659 100.00 100.00 5.49e-93 DBJ BAG36927 "unnamed protein product [Homo sapiens]" 100.00 1417 100.00 100.00 1.80e-90 DBJ BAH12008 "unnamed protein product [Homo sapiens]" 100.00 1047 100.00 100.00 7.44e-91 DBJ BAH13907 "unnamed protein product [Homo sapiens]" 100.00 519 100.00 100.00 1.62e-94 GB AAA87850 "Bloom's syndrome protein [Homo sapiens]" 100.00 1417 100.00 100.00 1.71e-90 GB AAH93622 "Bloom syndrome [Homo sapiens]" 100.00 1417 100.00 100.00 1.71e-90 GB AAI01568 "Bloom syndrome [Homo sapiens]" 100.00 1417 100.00 100.00 1.71e-90 GB AAI15031 "Bloom syndrome [Homo sapiens]" 100.00 1417 100.00 100.00 1.71e-90 GB AAI15033 "Bloom syndrome [Homo sapiens]" 100.00 1417 100.00 100.00 1.71e-90 REF NP_000048 "Bloom syndrome protein isoform 1 [Homo sapiens]" 100.00 1417 100.00 100.00 1.71e-90 REF NP_001274175 "Bloom syndrome protein isoform 1 [Homo sapiens]" 100.00 1417 100.00 100.00 1.71e-90 REF NP_001274177 "Bloom syndrome protein isoform 3 [Homo sapiens]" 100.00 1042 100.00 100.00 8.16e-91 REF XP_001097543 "PREDICTED: Bloom syndrome protein [Macaca mulatta]" 100.00 1416 98.61 100.00 4.58e-90 REF XP_003268551 "PREDICTED: LOW QUALITY PROTEIN: Bloom syndrome protein [Nomascus leucogenys]" 100.00 1417 97.92 99.31 3.79e-89 SP P54132 "RecName: Full=Bloom syndrome protein; AltName: Full=DNA helicase, RecQ-like type 2; Short=RecQ2; AltName: Full=RecQ protein-lik" 100.00 1417 100.00 100.00 1.71e-90 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BLM_RQC Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $BLM_RQC 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pET15b 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 $BLM_RQC 0.8 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' DTT 1 mM 'natural abundance' Tris 20 mM 'natural abundance' 'Sodium Chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'equipped with a cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 1H-13C NOESY aromatic' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'BLM RQC' _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 3 3 THR HA H 4.188 0.005 . 2 3 3 THR HB H 4.119 0.008 . 3 3 3 THR HG2 H 1.101 0.005 . 4 3 3 THR CA C 59.278 0.004 . 5 3 3 THR CB C 67.082 0.010 . 6 3 3 THR CG2 C 18.964 0.010 . 7 4 4 LYS H H 8.181 0.014 . 8 4 4 LYS HA H 4.145 0.01 . 9 4 4 LYS HB2 H 1.557 0.01 . 10 4 4 LYS HB3 H 1.557 0.01 . 11 4 4 LYS HG2 H 1.233 0.006 . 12 4 4 LYS HG3 H 1.233 0.006 . 13 4 4 LYS HE2 H 2.889 0.001 . 14 4 4 LYS HE3 H 2.889 0.001 . 15 4 4 LYS CA C 53.696 0.010 . 16 4 4 LYS CB C 30.34 0.011 . 17 4 4 LYS CG C 22.042 0.010 . 18 4 4 LYS CE C 39.486 0.036 . 19 4 4 LYS N N 123.064 0.010 . 20 5 5 ASP H H 8.093 0.004 . 21 5 5 ASP HA H 4.476 0.006 . 22 5 5 ASP HB2 H 2.521 0.006 . 23 5 5 ASP HB3 H 2.429 0.015 . 24 5 5 ASP CA C 51.262 0.037 . 25 5 5 ASP CB C 38.544 0.039 . 26 5 5 ASP N N 121.107 0.025 . 27 6 6 TYR H H 7.836 0.006 . 28 6 6 TYR HA H 4.556 0.002 . 29 6 6 TYR HB2 H 2.967 0.005 . 30 6 6 TYR HB3 H 2.762 0.003 . 31 6 6 TYR HD1 H 6.965 0.007 . 32 6 6 TYR HD2 H 6.965 0.007 . 33 6 6 TYR HE1 H 6.686 0.009 . 34 6 6 TYR HE2 H 6.686 0.009 . 35 6 6 TYR CA C 54.822 0.069 . 36 6 6 TYR CB C 36.233 0.084 . 37 6 6 TYR CD2 C 130.481 0.055 . 38 6 6 TYR CE2 C 115.418 0.010 . 39 6 6 TYR N N 120.058 0.008 . 40 7 7 LYS H H 8.296 0.004 . 41 7 7 LYS HA H 4.383 0.004 . 42 7 7 LYS HB2 H 1.744 0.01 . 43 7 7 LYS HB3 H 1.744 0.01 . 44 7 7 LYS HG2 H 1.278 0.005 . 45 7 7 LYS HG3 H 1.278 0.005 . 46 7 7 LYS CA C 52.932 0.049 . 47 7 7 LYS CB C 31.347 0.04 . 48 7 7 LYS N N 121.593 0.054 . 49 8 8 THR H H 8.106 0.003 . 50 8 8 THR HA H 4.473 0.003 . 51 8 8 THR HB H 3.892 0.004 . 52 8 8 THR HG1 H 4.697 0.005 . 53 8 8 THR HG2 H 0.99 0.008 . 54 8 8 THR CA C 59.312 0.015 . 55 8 8 THR CB C 67.228 0.049 . 56 8 8 THR CG2 C 19.289 0.014 . 57 8 8 THR N N 116.33 0.026 . 58 9 9 ARG H H 8.798 0.005 . 59 9 9 ARG HA H 4.609 0.009 . 60 9 9 ARG HB2 H 1.746 0.01 . 61 9 9 ARG HB3 H 1.746 0.01 . 62 9 9 ARG HG2 H 1.543 0.015 . 63 9 9 ARG HG3 H 1.543 0.015 . 64 9 9 ARG HD2 H 3.099 0.005 . 65 9 9 ARG HD3 H 3.077 0.017 . 66 9 9 ARG CA C 52.067 0.039 . 67 9 9 ARG CB C 30.913 0.008 . 68 9 9 ARG CG C 24.321 0.031 . 69 9 9 ARG CD C 40.755 0.085 . 70 9 9 ARG N N 123.784 0.023 . 71 10 10 ASP H H 8.536 0.011 . 72 10 10 ASP HA H 4.918 0.002 . 73 10 10 ASP HB2 H 2.86 0.016 . 74 10 10 ASP HB3 H 2.577 0.005 . 75 10 10 ASP CA C 51.673 0.019 . 76 10 10 ASP CB C 38.463 0.093 . 77 10 10 ASP N N 122.622 0.02 . 78 11 11 VAL H H 8.676 0.008 . 79 11 11 VAL HA H 4.947 0.009 . 80 11 11 VAL HB H 2.561 0.006 . 81 11 11 VAL HG1 H 0.955 0.009 . 82 11 11 VAL HG2 H 0.515 0.003 . 83 11 11 VAL CA C 57.683 0.01 . 84 11 11 VAL CB C 28.509 0.026 . 85 11 11 VAL CG1 C 19.408 0.039 . 86 11 11 VAL CG2 C 17.193 0.038 . 87 11 11 VAL N N 120.614 0.032 . 88 12 12 THR H H 8.615 0.01 . 89 12 12 THR HA H 4.154 0.003 . 90 12 12 THR HB H 3.34 0.006 . 91 12 12 THR HG1 H 4.151 0.005 . 92 12 12 THR HG2 H 1.269 0.003 . 93 12 12 THR CA C 65.751 0.075 . 94 12 12 THR CB C 66.623 0.035 . 95 12 12 THR CG2 C 19.978 0.04 . 96 12 12 THR N N 120.705 0.041 . 97 13 13 ASP H H 8.742 0.003 . 98 13 13 ASP HA H 4.268 0.011 . 99 13 13 ASP HB2 H 2.588 0.005 . 100 13 13 ASP HB3 H 2.588 0.005 . 101 13 13 ASP CA C 55.833 0.026 . 102 13 13 ASP CB C 37.495 0.038 . 103 13 13 ASP N N 120.33 0.037 . 104 14 14 ASP H H 7.91 0.005 . 105 14 14 ASP HA H 4.324 0.015 . 106 14 14 ASP HB2 H 2.822 0.012 . 107 14 14 ASP HB3 H 2.306 0.003 . 108 14 14 ASP CA C 55.02 0.03 . 109 14 14 ASP CB C 37.151 0.039 . 110 14 14 ASP N N 121.764 0.032 . 111 15 15 VAL H H 8.407 0.008 . 112 15 15 VAL HA H 3.205 0.006 . 113 15 15 VAL HB H 2.146 0.011 . 114 15 15 VAL HG1 H 0.815 0.01 . 115 15 15 VAL CA C 64.523 0.075 . 116 15 15 VAL CB C 28.245 0.010 . 117 15 15 VAL CG1 C 20.879 0.046 . 118 15 15 VAL N N 119.893 0.016 . 119 16 16 LYS H H 8.881 0.003 . 120 16 16 LYS HA H 3.555 0.011 . 121 16 16 LYS HB2 H 1.964 0.01 . 122 16 16 LYS HB3 H 1.719 0.015 . 123 16 16 LYS HG2 H 1.129 0.007 . 124 16 16 LYS HG3 H 1.129 0.007 . 125 16 16 LYS HD2 H 1.727 0.005 . 126 16 16 LYS HD3 H 1.727 0.005 . 127 16 16 LYS HE2 H 2.944 0.002 . 128 16 16 LYS HE3 H 2.944 0.002 . 129 16 16 LYS CA C 58.702 0.028 . 130 16 16 LYS CG C 24.727 0.010 . 131 16 16 LYS CE C 39.12 0.015 . 132 16 16 LYS N N 120.526 0.036 . 133 17 17 SER H H 7.632 0.004 . 134 17 17 SER HA H 4.078 0.023 . 135 17 17 SER HB2 H 3.838 0.006 . 136 17 17 SER HB3 H 3.838 0.006 . 137 17 17 SER CA C 59.392 0.010 . 138 17 17 SER N N 113.645 0.048 . 139 18 18 ILE H H 8.072 0.004 . 140 18 18 ILE HA H 3.46 0.003 . 141 18 18 ILE HB H 1.682 0.01 . 142 18 18 ILE HG12 H 0.264 0.01 . 143 18 18 ILE HG13 H 1.551 0.016 . 144 18 18 ILE HG2 H 0.569 0.007 . 145 18 18 ILE HD1 H -0.403 0.004 . 146 18 18 ILE CA C 63.706 0.04 . 147 18 18 ILE CB C 35.939 0.037 . 148 18 18 ILE CG1 C 26.66 0.087 . 149 18 18 ILE CG2 C 15.079 0.035 . 150 18 18 ILE CD1 C 10.577 0.026 . 151 18 18 ILE N N 124.622 0.027 . 152 19 19 VAL H H 8.719 0.008 . 153 19 19 VAL HA H 3.288 0.012 . 154 19 19 VAL HB H 2.076 0.009 . 155 19 19 VAL HG1 H 1.093 0.007 . 156 19 19 VAL HG2 H 0.828 0.007 . 157 19 19 VAL CA C 64.529 0.068 . 158 19 19 VAL CB C 28.766 0.022 . 159 19 19 VAL CG1 C 21.001 0.021 . 160 19 19 VAL N N 119.516 0.048 . 161 20 20 ARG H H 8.388 0.003 . 162 20 20 ARG HA H 3.942 0.007 . 163 20 20 ARG HB2 H 1.855 0.008 . 164 20 20 ARG HB3 H 1.855 0.008 . 165 20 20 ARG HG2 H 1.598 0.005 . 166 20 20 ARG HG3 H 1.598 0.005 . 167 20 20 ARG HD2 H 3.163 0.003 . 168 20 20 ARG HD3 H 3.163 0.003 . 169 20 20 ARG CA C 57.168 0.051 . 170 20 20 ARG CB C 27.462 0.010 . 171 20 20 ARG CD C 40.656 0.010 . 172 20 20 ARG N N 118.001 0.036 . 173 21 21 PHE H H 7.92 0.007 . 174 21 21 PHE HA H 4.429 0.012 . 175 21 21 PHE HB2 H 3.304 0.01 . 176 21 21 PHE HB3 H 3.304 0.01 . 177 21 21 PHE HD1 H 7.179 0.009 . 178 21 21 PHE HD2 H 7.179 0.009 . 179 21 21 PHE HE1 H 6.875 0.01 . 180 21 21 PHE HE2 H 6.875 0.01 . 181 21 21 PHE CA C 59.07 0.086 . 182 21 21 PHE CB C 37.446 0.022 . 183 21 21 PHE CD2 C 128.433 0.010 . 184 21 21 PHE CE2 C 128.69 0.010 . 185 21 21 PHE N N 120.439 0.048 . 186 22 22 VAL H H 8.554 0.004 . 187 22 22 VAL HA H 3.461 0.005 . 188 22 22 VAL HB H 2.079 0.005 . 189 22 22 VAL HG1 H 1.092 0.005 . 190 22 22 VAL HG2 H 0.835 0.013 . 191 22 22 VAL CA C 64.288 0.212 . 192 22 22 VAL CB C 28.827 0.010 . 193 22 22 VAL CG1 C 21.018 0.009 . 194 22 22 VAL N N 119.817 0.023 . 195 23 23 GLN H H 8.702 0.01 . 196 23 23 GLN HA H 3.827 0.008 . 197 23 23 GLN HB2 H 2.114 0.017 . 198 23 23 GLN HB3 H 2.294 0.017 . 199 23 23 GLN HG2 H 2.263 0.022 . 200 23 23 GLN HG3 H 2.192 0.009 . 201 23 23 GLN HE21 H 7.332 0.001 . 202 23 23 GLN HE22 H 6.518 0.013 . 203 23 23 GLN CA C 57.046 0.012 . 204 23 23 GLN CB C 26.984 0.035 . 205 23 23 GLN CG C 31.349 0.068 . 206 23 23 GLN N N 120.945 0.107 . 207 23 23 GLN NE2 N 109.892 0.026 . 208 24 24 GLU H H 8.162 0.01 . 209 24 24 GLU HA H 3.864 0.004 . 210 24 24 GLU HB2 H 1.945 0.005 . 211 24 24 GLU HB3 H 1.712 0.013 . 212 24 24 GLU HG2 H 2.079 0.005 . 213 24 24 GLU HG3 H 1.748 0.004 . 214 24 24 GLU CA C 55.983 0.145 . 215 24 24 GLU CB C 27.003 0.031 . 216 24 24 GLU CG C 33.16 0.021 . 217 24 24 GLU N N 118.621 0.017 . 218 25 25 HIS H H 7.456 0.008 . 219 25 25 HIS HA H 4.348 0.007 . 220 25 25 HIS HB2 H 2.418 0.009 . 221 25 25 HIS HB3 H 3.124 0.015 . 222 25 25 HIS HD2 H 6.897 0.001 . 223 25 25 HIS CA C 55.023 0.029 . 224 25 25 HIS CB C 28.052 0.079 . 225 25 25 HIS N N 115.638 0.045 . 226 26 26 SER H H 7.622 0.003 . 227 26 26 SER HA H 4.597 0.002 . 228 26 26 SER HB2 H 3.979 0.015 . 229 26 26 SER HB3 H 3.979 0.015 . 230 26 26 SER CA C 56.129 0.027 . 231 26 26 SER CB C 61.587 0.010 . 232 26 26 SER N N 113.585 0.012 . 233 27 27 SER H H 8.054 0.009 . 234 27 27 SER HA H 4.43 0.001 . 235 27 27 SER HB2 H 3.804 0.003 . 236 27 27 SER HB3 H 3.804 0.003 . 237 27 27 SER CA C 55.898 0.010 . 238 27 27 SER N N 116.649 0.022 . 239 29 29 GLN H H 7.703 0.005 . 240 29 29 GLN HA H 4.192 0.012 . 241 29 29 GLN HB2 H 1.914 0.02 . 242 29 29 GLN HB3 H 2.034 0.002 . 243 29 29 GLN HG2 H 2.249 0.003 . 244 29 29 GLN HG3 H 2.249 0.003 . 245 29 29 GLN HE21 H 7.398 0.005 . 246 29 29 GLN HE22 H 6.726 0.002 . 247 29 29 GLN CA C 53.302 0.05 . 248 29 29 GLN CB C 26.483 0.03 . 249 29 29 GLN CG C 31.196 0.038 . 250 29 29 GLN NE2 N 112.268 0.049 . 251 30 30 GLY H H 8.265 0.005 . 252 30 30 GLY HA2 H 3.827 0.015 . 253 30 30 GLY HA3 H 3.827 0.015 . 254 30 30 GLY N N 108.999 0.010 . 255 31 31 MET H H 8.047 0.004 . 256 31 31 MET HG2 H 1.912 0.005 . 257 31 31 MET HG3 H 1.912 0.005 . 258 31 31 MET N N 119.703 0.025 . 259 33 33 ASN HA H 4.399 0.003 . 260 33 33 ASN HB2 H 2.618 0.004 . 261 33 33 ASN HB3 H 2.48 0.002 . 262 33 33 ASN CA C 50.346 0.023 . 263 33 33 ASN CB C 36.008 0.022 . 264 34 34 ILE H H 7.837 0.008 . 265 34 34 ILE HA H 4.072 0.005 . 266 34 34 ILE HB H 1.77 0.014 . 267 34 34 ILE HG12 H 1.367 0.002 . 268 34 34 ILE HG13 H 1.064 0.001 . 269 34 34 ILE HG2 H 0.768 0.012 . 270 34 34 ILE HD1 H 0.772 0.011 . 271 34 34 ILE CA C 58.766 0.053 . 272 34 34 ILE CB C 36.023 0.083 . 273 34 34 ILE CG1 C 24.599 0.178 . 274 34 34 ILE CG2 C 14.965 0.004 . 275 34 34 ILE CD1 C 9.992 0.010 . 276 34 34 ILE N N 120.096 0.064 . 277 35 35 LYS H H 8.207 0.006 . 278 35 35 LYS HA H 4.133 0.004 . 279 35 35 LYS HB2 H 1.623 0.002 . 280 35 35 LYS HB3 H 1.623 0.002 . 281 35 35 LYS HG2 H 1.285 0.008 . 282 35 35 LYS HG3 H 1.285 0.008 . 283 35 35 LYS HE2 H 2.934 0.005 . 284 35 35 LYS HE3 H 2.934 0.005 . 285 35 35 LYS CB C 29.809 0.010 . 286 35 35 LYS N N 123.138 0.073 . 287 36 36 HIS H H 8.011 0.003 . 288 36 36 HIS HA H 4.527 0.011 . 289 36 36 HIS HB2 H 2.995 0.012 . 290 36 36 HIS HB3 H 2.995 0.012 . 291 36 36 HIS HD2 H 6.864 0.005 . 292 36 36 HIS CA C 53.765 0.01 . 293 36 36 HIS CB C 28.204 0.013 . 294 36 36 HIS N N 119.858 0.022 . 295 37 37 VAL H H 7.889 0.008 . 296 37 37 VAL HA H 4.066 0.01 . 297 37 37 VAL HB H 1.945 0.003 . 298 37 37 VAL HG1 H 0.783 0.008 . 299 37 37 VAL HG2 H 0.783 0.008 . 300 37 37 VAL CA C 59.303 0.128 . 301 37 37 VAL CB C 30.219 0.010 . 302 37 37 VAL CG1 C 17.797 0.088 . 303 37 37 VAL N N 120.812 0.03 . 304 38 38 GLY H H 8.062 0.009 . 305 38 38 GLY HA2 H 3.815 0.002 . 306 38 38 GLY HA3 H 3.971 0.001 . 307 38 38 GLY CA C 41.696 0.021 . 308 38 38 GLY N N 112.001 0.012 . 309 39 39 PRO HD2 H 3.352 0.004 . 310 39 39 PRO HD3 H 3.159 0.003 . 311 41 41 GLY HA2 H 3.713 0.005 . 312 41 41 GLY HA3 H 3.713 0.005 . 313 42 42 ARG H H 7.191 0.008 . 314 42 42 ARG HA H 4.106 0.005 . 315 42 42 ARG HB2 H 1.108 0.005 . 316 42 42 ARG HB3 H 0.913 0.005 . 317 42 42 ARG HG2 H 1.008 0.005 . 318 42 42 ARG HG3 H 1.036 0.008 . 319 42 42 ARG HD2 H 2.507 0.008 . 320 42 42 ARG HD3 H 2.507 0.008 . 321 42 42 ARG CA C 52.102 0.015 . 322 42 42 ARG CB C 29.197 0.013 . 323 42 42 ARG CG C 23.821 0.074 . 324 42 42 ARG CD C 40.304 0.057 . 325 42 42 ARG N N 117.216 0.029 . 326 43 43 PHE H H 9.169 0.007 . 327 43 43 PHE HA H 5.231 0.004 . 328 43 43 PHE HB2 H 3.133 0.005 . 329 43 43 PHE HB3 H 2.835 0.018 . 330 43 43 PHE HD1 H 7.175 0.007 . 331 43 43 PHE HD2 H 7.175 0.007 . 332 43 43 PHE HE1 H 6.886 0.001 . 333 43 43 PHE HE2 H 6.886 0.001 . 334 43 43 PHE HZ H 6.668 0.011 . 335 43 43 PHE CA C 53.803 0.014 . 336 43 43 PHE CB C 39.107 0.015 . 337 43 43 PHE CD2 C 129.423 0.026 . 338 43 43 PHE CE2 C 128.727 0.048 . 339 43 43 PHE CZ C 127.83 0.010 . 340 43 43 PHE N N 118.418 0.03 . 341 44 44 THR H H 7.878 0.011 . 342 44 44 THR HA H 4.809 0.005 . 343 44 44 THR HB H 4.674 0.011 . 344 44 44 THR HG2 H 1.144 0.005 . 345 44 44 THR CA C 57.627 0.006 . 346 44 44 THR CB C 68.575 0.035 . 347 44 44 THR CG2 C 19.344 0.027 . 348 44 44 THR N N 112.798 0.029 . 349 45 45 MET H H 9.731 0.002 . 350 45 45 MET HA H 3.538 0.014 . 351 45 45 MET HB2 H 2.118 0.009 . 352 45 45 MET HB3 H 2.118 0.009 . 353 45 45 MET HG2 H 1.978 0.005 . 354 45 45 MET HG3 H 1.978 0.005 . 355 45 45 MET CA C 57.641 0.04 . 356 45 45 MET CB C 29.616 0.015 . 357 45 45 MET CG C 29.808 0.010 . 358 45 45 MET N N 122.019 0.033 . 359 46 46 ASN H H 8.505 0.004 . 360 46 46 ASN HA H 4.099 0.005 . 361 46 46 ASN HB2 H 2.72 0.016 . 362 46 46 ASN HB3 H 2.573 0.005 . 363 46 46 ASN HD21 H 6.893 0.002 . 364 46 46 ASN HD22 H 7.531 0.005 . 365 46 46 ASN CA C 53.851 0.039 . 366 46 46 ASN CB C 35.221 0.028 . 367 46 46 ASN N N 115.665 0.113 . 368 46 46 ASN ND2 N 112.705 0.015 . 369 47 47 MET H H 7.561 0.009 . 370 47 47 MET HA H 4.096 0.006 . 371 47 47 MET HB2 H 2.299 0.017 . 372 47 47 MET HB3 H 2.299 0.017 . 373 47 47 MET HE H 1.927 0.005 . 374 47 47 MET CA C 56.296 0.042 . 375 47 47 MET CB C 31.471 0.027 . 376 47 47 MET N N 117.282 0.035 . 377 48 48 LEU H H 7.706 0.009 . 378 48 48 LEU HA H 3.631 0.015 . 379 48 48 LEU HB2 H 1.384 0.006 . 380 48 48 LEU HB3 H 0.863 0.005 . 381 48 48 LEU HG H 1.535 0.015 . 382 48 48 LEU HD1 H 0.54 0.006 . 383 48 48 LEU HD2 H 0.702 0.013 . 384 48 48 LEU CA C 55.091 0.051 . 385 48 48 LEU CB C 38.968 0.049 . 386 48 48 LEU CG C 24.303 0.010 . 387 48 48 LEU CD1 C 21.323 0.12 . 388 48 48 LEU CD2 C 21.702 0.010 . 389 48 48 LEU N N 119.499 0.035 . 390 49 49 VAL H H 7.946 0.008 . 391 49 49 VAL HA H 3.007 0.008 . 392 49 49 VAL HB H 1.984 0.009 . 393 49 49 VAL HG1 H 0.529 0.011 . 394 49 49 VAL HG2 H 0.81 0.005 . 395 49 49 VAL CA C 64.838 0.063 . 396 49 49 VAL CB C 28.684 0.010 . 397 49 49 VAL CG1 C 21.083 0.095 . 398 49 49 VAL N N 120.544 0.017 . 399 50 50 ASP H H 7.65 0.012 . 400 50 50 ASP HA H 4.244 0.01 . 401 50 50 ASP HB2 H 2.776 0.014 . 402 50 50 ASP HB3 H 2.24 0.01 . 403 50 50 ASP CA C 55.406 0.126 . 404 50 50 ASP CB C 37.66 0.091 . 405 50 50 ASP N N 118.085 0.013 . 406 51 51 ILE H H 7.711 0.007 . 407 51 51 ILE HA H 3.769 0.008 . 408 51 51 ILE HB H 1.631 0.01 . 409 51 51 ILE HG12 H 1.961 0.01 . 410 51 51 ILE HG13 H 1.367 0.013 . 411 51 51 ILE HG2 H 0.685 0.009 . 412 51 51 ILE HD1 H 0.582 0.005 . 413 51 51 ILE CA C 62.852 0.107 . 414 51 51 ILE CB C 36.755 0.053 . 415 51 51 ILE CG1 C 27.111 0.09 . 416 51 51 ILE CG2 C 15.422 0.078 . 417 51 51 ILE CD1 C 12.121 0.032 . 418 51 51 ILE N N 118.285 0.011 . 419 52 52 PHE H H 8.749 0.002 . 420 52 52 PHE HA H 4.286 0.008 . 421 52 52 PHE HB2 H 3.023 0.011 . 422 52 52 PHE HB3 H 3.023 0.011 . 423 52 52 PHE HD1 H 6.851 0.006 . 424 52 52 PHE HD2 H 6.851 0.006 . 425 52 52 PHE HE1 H 6.419 0.007 . 426 52 52 PHE HE2 H 6.419 0.007 . 427 52 52 PHE CA C 57.31 0.044 . 428 52 52 PHE CB C 37.915 0.010 . 429 52 52 PHE CD1 C 127.866 0.048 . 430 52 52 PHE CE1 C 128.537 0.010 . 431 52 52 PHE N N 122.834 0.029 . 432 53 53 LEU H H 8.439 0.007 . 433 53 53 LEU HA H 3.46 0.012 . 434 53 53 LEU HB2 H 1.632 0.021 . 435 53 53 LEU HB3 H 1.333 0.01 . 436 53 53 LEU HD1 H 0.693 0.01 . 437 53 53 LEU HD2 H 0.667 0.008 . 438 53 53 LEU CA C 53.42 0.043 . 439 53 53 LEU CB C 39.786 0.015 . 440 53 53 LEU CD1 C 23.647 0.078 . 441 53 53 LEU CD2 C 20.648 0.04 . 442 53 53 LEU N N 114.896 0.026 . 443 54 54 GLY H H 7.553 0.005 . 444 54 54 GLY HA2 H 3.191 0.004 . 445 54 54 GLY HA3 H 2.365 0.008 . 446 54 54 GLY CA C 41.696 0.139 . 447 54 54 GLY N N 106.010 0.024 . 448 55 55 SER H H 7.966 0.003 . 449 55 55 SER HA H 4.22 0.003 . 450 55 55 SER HB2 H 3.69 0.012 . 451 55 55 SER HB3 H 3.743 0.013 . 452 55 55 SER CA C 55.639 0.012 . 453 55 55 SER CB C 60.996 0.015 . 454 55 55 SER N N 114.675 0.024 . 455 58 58 ALA H H 7.672 0.007 . 456 58 58 ALA HA H 4.214 0.003 . 457 58 58 ALA HB H 1.562 0.006 . 458 58 58 ALA CA C 49.962 0.04 . 459 58 58 ALA CB C 17.815 0.06 . 460 58 58 ALA N N 124.906 0.046 . 461 59 59 LYS H H 8.877 0.005 . 462 59 59 LYS HA H 3.999 0.005 . 463 59 59 LYS HB2 H 1.913 0.007 . 464 59 59 LYS HB3 H 1.76 0.001 . 465 59 59 LYS HD2 H 1.724 0.005 . 466 59 59 LYS HD3 H 1.724 0.005 . 467 59 59 LYS CA C 54.56 0.044 . 468 59 59 LYS CB C 30.396 0.026 . 469 59 59 LYS N N 120.289 0.051 . 470 60 60 ILE H H 6.793 0.005 . 471 60 60 ILE HA H 4.144 0.005 . 472 60 60 ILE HB H 1.743 0.01 . 473 60 60 ILE HG12 H 1.366 0.008 . 474 60 60 ILE HG13 H 1.145 0.006 . 475 60 60 ILE HG2 H 0.949 0.002 . 476 60 60 ILE HD1 H 0.784 0.005 . 477 60 60 ILE CA C 56.751 0.032 . 478 60 60 ILE CB C 38.023 0.055 . 479 60 60 ILE CG1 C 24.787 0.049 . 480 60 60 ILE CG2 C 15.053 0.023 . 481 60 60 ILE CD1 C 9.994 0.027 . 482 60 60 ILE N N 116.012 0.029 . 483 61 61 GLN H H 8.204 0.007 . 484 61 61 GLN HA H 3.892 0.002 . 485 61 61 GLN HB2 H 1.631 0.01 . 486 61 61 GLN HB3 H 1.136 0.006 . 487 61 61 GLN HG2 H 1.285 0.01 . 488 61 61 GLN HG3 H 1.285 0.01 . 489 61 61 GLN HE21 H 7.018 0.003 . 490 61 61 GLN HE22 H 6.341 0.003 . 491 61 61 GLN CA C 51.532 0.029 . 492 61 61 GLN CB C 24.461 0.010 . 493 61 61 GLN CG C 30.422 0.027 . 494 61 61 GLN NE2 N 110.019 0.023 . 495 62 62 SER H H 7.008 0.013 . 496 62 62 SER HA H 4.054 0.026 . 497 62 62 SER HB2 H 3.727 0.009 . 498 62 62 SER HB3 H 3.727 0.009 . 499 62 62 SER CB C 62.621 0.072 . 500 62 62 SER N N 113.482 0.027 . 501 63 63 GLY HA2 H 4.108 0.005 . 502 63 63 GLY HA3 H 3.895 0.011 . 503 63 63 GLY CA C 45.737 0.042 . 504 64 64 ILE H H 6.176 0.011 . 505 64 64 ILE HA H 4.116 0.007 . 506 64 64 ILE HB H 2.042 0.002 . 507 64 64 ILE HG12 H 0.659 0.004 . 508 64 64 ILE HG13 H -0.431 0.011 . 509 64 64 ILE HG2 H 0.628 0.01 . 510 64 64 ILE HD1 H 0.437 0.004 . 511 64 64 ILE CA C 59.148 0.04 . 512 64 64 ILE CB C 35.319 0.031 . 513 64 64 ILE CG1 C 22.206 0.019 . 514 64 64 ILE CG2 C 15.416 0.05 . 515 64 64 ILE CD1 C 12.206 0.017 . 516 64 64 ILE N N 118.021 0.041 . 517 65 65 PHE H H 7.123 0.012 . 518 65 65 PHE HA H 4.571 0.007 . 519 65 65 PHE HB2 H 2.946 0.012 . 520 65 65 PHE HB3 H 2.409 0.012 . 521 65 65 PHE HD1 H 7.156 0.01 . 522 65 65 PHE HD2 H 7.156 0.01 . 523 65 65 PHE HE1 H 6.887 0.006 . 524 65 65 PHE HE2 H 6.887 0.006 . 525 65 65 PHE HZ H 6.686 0.015 . 526 65 65 PHE CA C 55.494 0.069 . 527 65 65 PHE CB C 36.251 0.067 . 528 65 65 PHE CD1 C 130.061 0.02 . 529 65 65 PHE CZ C 126.579 0.041 . 530 65 65 PHE N N 122.624 0.014 . 531 66 66 GLY H H 7.765 0.007 . 532 66 66 GLY HA2 H 3.637 0.008 . 533 66 66 GLY HA3 H 2.608 0.008 . 534 66 66 GLY CA C 42.78 0.044 . 535 66 66 GLY N N 115.125 0.014 . 536 67 67 LYS H H 8.317 0.003 . 537 67 67 LYS HA H 3.935 0.006 . 538 67 67 LYS HB2 H 1.74 0.013 . 539 67 67 LYS HB3 H 1.74 0.013 . 540 67 67 LYS HG2 H 1.296 0.005 . 541 67 67 LYS HG3 H 1.43 0.007 . 542 67 67 LYS HD2 H 1.29 0.011 . 543 67 67 LYS CA C 55.012 0.033 . 544 67 67 LYS CB C 28.753 0.010 . 545 67 67 LYS CG C 22.712 0.05 . 546 67 67 LYS N N 122.536 0.063 . 547 68 68 GLY H H 8.099 0.002 . 548 68 68 GLY HA2 H 3.614 0.008 . 549 68 68 GLY HA3 H 1.136 0.012 . 550 68 68 GLY CA C 41.935 0.171 . 551 68 68 GLY N N 109.642 0.029 . 552 69 69 SER H H 6.768 0.007 . 553 69 69 SER HA H 3.909 0.013 . 554 69 69 SER HB2 H 3.83 0.007 . 555 69 69 SER HB3 H 3.627 0.005 . 556 69 69 SER CA C 58.325 0.048 . 557 69 69 SER CB C 60.337 0.082 . 558 69 69 SER N N 113.169 0.01 . 559 70 70 ALA H H 8.312 0.002 . 560 70 70 ALA HA H 4.238 0.002 . 561 70 70 ALA HB H 1.169 0.01 . 562 70 70 ALA CA C 49.817 0.024 . 563 70 70 ALA CB C 16.03 0.004 . 564 70 70 ALA N N 121.957 0.058 . 565 71 71 TYR H H 8.115 0.005 . 566 71 71 TYR HA H 4.526 0.013 . 567 71 71 TYR HB2 H 3.184 0.006 . 568 71 71 TYR HB3 H 2.924 0.007 . 569 71 71 TYR HD1 H 6.858 0.005 . 570 71 71 TYR HD2 H 6.858 0.005 . 571 71 71 TYR HE1 H 6.641 0.006 . 572 71 71 TYR HE2 H 6.641 0.006 . 573 71 71 TYR CA C 55.299 0.128 . 574 71 71 TYR CB C 35.907 0.06 . 575 71 71 TYR CD2 C 129.684 0.111 . 576 71 71 TYR CE2 C 115.4 0.007 . 577 71 71 TYR N N 120.043 0.028 . 578 72 72 SER H H 8.588 0.003 . 579 72 72 SER HA H 4.356 0.011 . 580 72 72 SER HB2 H 4.343 0.001 . 581 72 72 SER HB3 H 4.101 0.006 . 582 72 72 SER CB C 62.211 0.028 . 583 72 72 SER N N 114.462 0.034 . 584 73 73 ARG HB2 H 1.826 0.005 . 585 73 73 ARG HB3 H 1.826 0.005 . 586 74 74 HIS H H 8.513 0.005 . 587 74 74 HIS HA H 4.343 0.006 . 588 74 74 HIS HB2 H 3.161 0.003 . 589 74 74 HIS HB3 H 2.914 0.007 . 590 74 74 HIS HD2 H 6.787 0.001 . 591 74 74 HIS CA C 56.866 0.172 . 592 74 74 HIS CB C 28.026 0.047 . 593 74 74 HIS N N 116.026 0.049 . 594 75 75 ASN H H 7.869 0.008 . 595 75 75 ASN HA H 4.78 0.005 . 596 75 75 ASN HB2 H 2.77 0.005 . 597 75 75 ASN HB3 H 3.21 0.004 . 598 75 75 ASN CA C 53.735 0.010 . 599 75 75 ASN CB C 35.83 0.059 . 600 75 75 ASN N N 116.559 0.021 . 601 76 76 ALA H H 9.091 0.004 . 602 76 76 ALA HA H 3.909 0.011 . 603 76 76 ALA HB H 1.545 0.01 . 604 76 76 ALA CA C 53.014 0.041 . 605 76 76 ALA CB C 16.311 0.034 . 606 76 76 ALA N N 124.303 0.035 . 607 77 77 GLU H H 8.707 0.003 . 608 77 77 GLU HA H 3.797 0.008 . 609 77 77 GLU HB2 H 1.901 0.009 . 610 77 77 GLU HB3 H 2.232 0.01 . 611 77 77 GLU HG2 H 2.502 0.004 . 612 77 77 GLU HG3 H 2.502 0.004 . 613 77 77 GLU CA C 57.574 0.019 . 614 77 77 GLU CB C 26.934 0.126 . 615 77 77 GLU CG C 35.015 0.078 . 616 77 77 GLU N N 117.259 0.011 . 617 78 78 ARG H H 7.851 0.005 . 618 78 78 ARG HA H 3.804 0.004 . 619 78 78 ARG HB2 H 2.102 0.005 . 620 78 78 ARG HB3 H 2.102 0.005 . 621 78 78 ARG HG2 H 1.733 0.005 . 622 78 78 ARG HG3 H 1.733 0.005 . 623 78 78 ARG CA C 57.589 0.010 . 624 78 78 ARG N N 117.556 0.018 . 625 79 79 LEU H H 8.262 0.004 . 626 79 79 LEU HA H 3.454 0.006 . 627 79 79 LEU HB2 H 0.472 0.015 . 628 79 79 LEU HB3 H 1.536 0.005 . 629 79 79 LEU HG H 0.469 0.038 . 630 79 79 LEU HD1 H 0.003 0.003 . 631 79 79 LEU HD2 H -0.011 0.008 . 632 79 79 LEU CA C 55.672 0.032 . 633 79 79 LEU CB C 37.311 0.089 . 634 79 79 LEU CG C 24.084 0.073 . 635 79 79 LEU CD1 C 22.193 0.018 . 636 79 79 LEU CD2 C 19.29 0.032 . 637 79 79 LEU N N 122.886 0.014 . 638 80 80 PHE H H 7.848 0.006 . 639 80 80 PHE HA H 3.497 0.009 . 640 80 80 PHE HB2 H 2.803 0.065 . 641 80 80 PHE HB3 H 2.761 0.071 . 642 80 80 PHE HD1 H 7.034 0.014 . 643 80 80 PHE HD2 H 7.034 0.014 . 644 80 80 PHE HE1 H 6.437 0.006 . 645 80 80 PHE HE2 H 6.437 0.006 . 646 80 80 PHE HZ H 6.13 0.005 . 647 80 80 PHE CA C 61.416 0.034 . 648 80 80 PHE CB C 36.279 0.053 . 649 80 80 PHE CD1 C 128.568 0.096 . 650 80 80 PHE CD2 C 127.895 0.047 . 651 80 80 PHE CE1 C 127.943 0.109 . 652 80 80 PHE CE2 C 128.087 0.068 . 653 80 80 PHE CZ C 125.297 0.046 . 654 80 80 PHE N N 116.592 0.017 . 655 81 81 LYS H H 8.4 0.003 . 656 81 81 LYS HA H 3.839 0.008 . 657 81 81 LYS HB2 H 1.792 0.007 . 658 81 81 LYS HB3 H 1.792 0.007 . 659 81 81 LYS HG2 H 1.349 0.005 . 660 81 81 LYS HG3 H 1.565 0.003 . 661 81 81 LYS HD2 H 1.917 0.005 . 662 81 81 LYS HD3 H 1.917 0.005 . 663 81 81 LYS HE2 H 2.836 0.008 . 664 81 81 LYS HE3 H 2.836 0.008 . 665 81 81 LYS CA C 57.224 0.098 . 666 81 81 LYS CB C 29.542 0.118 . 667 81 81 LYS CG C 23.274 0.075 . 668 81 81 LYS CD C 27.378 0.010 . 669 81 81 LYS N N 117.535 0.04 . 670 82 82 LYS H H 8.009 0.006 . 671 82 82 LYS HA H 4.009 0.009 . 672 82 82 LYS HB2 H 1.93 0.008 . 673 82 82 LYS HB3 H 1.93 0.008 . 674 82 82 LYS HG2 H 1.198 0.008 . 675 82 82 LYS HG3 H 1.498 0.01 . 676 82 82 LYS HD2 H 1.47 0.012 . 677 82 82 LYS HD3 H 1.47 0.012 . 678 82 82 LYS HE2 H 2.831 0.002 . 679 82 82 LYS HE3 H 3.342 0.001 . 680 82 82 LYS CA C 56.608 0.016 . 681 82 82 LYS CB C 29.409 0.010 . 682 82 82 LYS CG C 22.669 0.075 . 683 82 82 LYS CD C 27.494 0.032 . 684 82 82 LYS CE C 40.065 0.247 . 685 82 82 LYS N N 121.994 0.031 . 686 83 83 LEU H H 7.989 0.008 . 687 83 83 LEU HA H 3.806 0.009 . 688 83 83 LEU HB2 H 1.936 0.007 . 689 83 83 LEU HB3 H 0.934 0.016 . 690 83 83 LEU HG H 1.94 0.001 . 691 83 83 LEU HD1 H 0.212 0.008 . 692 83 83 LEU HD2 H 0.537 0.013 . 693 83 83 LEU CA C 55.432 0.113 . 694 83 83 LEU CB C 37.497 0.064 . 695 83 83 LEU CG C 22.9 0.024 . 696 83 83 LEU CD1 C 22.172 0.023 . 697 83 83 LEU CD2 C 20.161 0.057 . 698 83 83 LEU N N 116.189 0.031 . 699 84 84 ILE H H 7.59 0.005 . 700 84 84 ILE HA H 4.114 0.008 . 701 84 84 ILE HB H 1.831 0.014 . 702 84 84 ILE HG12 H 1.716 0.008 . 703 84 84 ILE HG13 H 0.679 0.005 . 704 84 84 ILE HG2 H 0.847 0.007 . 705 84 84 ILE HD1 H 0.685 0.003 . 706 84 84 ILE CA C 60.415 0.118 . 707 84 84 ILE CB C 35.704 0.053 . 708 84 84 ILE CG1 C 27.551 0.03 . 709 84 84 ILE CG2 C 14.909 0.048 . 710 84 84 ILE CD1 C 10.778 0.072 . 711 84 84 ILE N N 120.559 0.012 . 712 85 85 LEU H H 8.326 0.007 . 713 85 85 LEU HA H 4.025 0.002 . 714 85 85 LEU HB2 H 1.695 0.006 . 715 85 85 LEU HB3 H 1.772 0.025 . 716 85 85 LEU HG H 1.698 0.014 . 717 85 85 LEU HD2 H 0.859 0.006 . 718 85 85 LEU CA C 55.625 0.037 . 719 85 85 LEU CB C 38.949 0.02 . 720 85 85 LEU CG C 24.307 0.071 . 721 85 85 LEU CD2 C 21.658 0.04 . 722 85 85 LEU N N 125.18 0.015 . 723 86 86 ASP H H 8.588 0.007 . 724 86 86 ASP HA H 4.446 0.007 . 725 86 86 ASP HB2 H 2.616 0.024 . 726 86 86 ASP HB3 H 2.616 0.024 . 727 86 86 ASP CA C 52.219 0.007 . 728 86 86 ASP CB C 38.012 0.03 . 729 86 86 ASP N N 117.054 0.024 . 730 87 87 LYS H H 7.758 0.004 . 731 87 87 LYS HA H 4.275 0.006 . 732 87 87 LYS HB2 H 2.143 0.006 . 733 87 87 LYS HB3 H 2.143 0.006 . 734 87 87 LYS HG2 H 1.408 0.01 . 735 87 87 LYS HG3 H 1.35 0.011 . 736 87 87 LYS CA C 54.603 0.014 . 737 87 87 LYS CB C 25.293 0.451 . 738 87 87 LYS CG C 22.149 0.033 . 739 87 87 LYS N N 111.77 0.03 . 740 88 88 ILE H H 8.051 0.008 . 741 88 88 ILE HA H 3.341 0.006 . 742 88 88 ILE HB H 1.581 0.01 . 743 88 88 ILE HG12 H 1.549 0.003 . 744 88 88 ILE HG13 H 0.588 0.011 . 745 88 88 ILE HG2 H 0.602 0.005 . 746 88 88 ILE HD1 H 0.748 0.005 . 747 88 88 ILE CA C 62.673 0.015 . 748 88 88 ILE CB C 36.038 0.108 . 749 88 88 ILE CG1 C 27.372 0.097 . 750 88 88 ILE CG2 C 15.519 0.007 . 751 88 88 ILE CD1 C 12.241 0.027 . 752 88 88 ILE N N 119.672 0.036 . 753 89 89 LEU H H 7.06 0.006 . 754 89 89 LEU HA H 4.824 0.014 . 755 89 89 LEU HB2 H 1.177 0.009 . 756 89 89 LEU HB3 H 1.529 0.016 . 757 89 89 LEU HG H 0.763 0.012 . 758 89 89 LEU HD1 H 0.831 0.011 . 759 89 89 LEU HD2 H 0.831 0.011 . 760 89 89 LEU CA C 49.475 0.010 . 761 89 89 LEU CB C 42.402 0.042 . 762 89 89 LEU CG C 23.134 0.081 . 763 89 89 LEU N N 116.102 0.034 . 764 90 90 ASP H H 8.495 0.006 . 765 90 90 ASP HA H 4.824 0.007 . 766 90 90 ASP HB2 H 2.259 0.009 . 767 90 90 ASP HB3 H 2.259 0.009 . 768 90 90 ASP CA C 49.5 0.054 . 769 90 90 ASP CB C 41.977 0.035 . 770 90 90 ASP N N 117.058 0.013 . 771 91 91 GLU H H 8.958 0.004 . 772 91 91 GLU HA H 5.143 0.004 . 773 91 91 GLU HB2 H 1.755 0.01 . 774 91 91 GLU HB3 H 1.659 0.008 . 775 91 91 GLU HG2 H 2.034 0.011 . 776 91 91 GLU HG3 H 1.856 0.003 . 777 91 91 GLU CA C 52.175 0.016 . 778 91 91 GLU CB C 31.467 0.05 . 779 91 91 GLU CG C 35.258 0.008 . 780 91 91 GLU N N 118.774 0.005 . 781 92 92 ASP H H 8.951 0.005 . 782 92 92 ASP HA H 4.757 0.009 . 783 92 92 ASP HB2 H 2.547 0.004 . 784 92 92 ASP HB3 H 2.547 0.004 . 785 92 92 ASP CA C 49.785 0.012 . 786 92 92 ASP CB C 41.199 0.085 . 787 92 92 ASP N N 123.93 0.04 . 788 93 93 LEU H H 8.313 0.004 . 789 93 93 LEU HA H 4.715 0.005 . 790 93 93 LEU HB2 H 1.342 0.013 . 791 93 93 LEU HB3 H 1.507 0.009 . 792 93 93 LEU HG H 1.401 0.005 . 793 93 93 LEU HD1 H 0.689 0.004 . 794 93 93 LEU HD2 H 0.689 0.004 . 795 93 93 LEU CA C 52.221 0.063 . 796 93 93 LEU CB C 40.583 0.081 . 797 93 93 LEU CG C 24.517 0.082 . 798 93 93 LEU N N 124.663 0.069 . 799 94 94 TYR H H 9.099 0.003 . 800 94 94 TYR HB2 H 2.95 0.014 . 801 94 94 TYR HB3 H 2.95 0.014 . 802 94 94 TYR HD1 H 7.034 0.005 . 803 94 94 TYR HD2 H 7.034 0.005 . 804 94 94 TYR HE1 H 6.677 0.001 . 805 94 94 TYR HE2 H 6.677 0.001 . 806 94 94 TYR CD2 C 130.605 0.082 . 807 94 94 TYR N N 126.919 0.04 . 808 95 95 ILE H H 7.987 0.011 . 809 95 95 ILE HA H 4.333 0.005 . 810 95 95 ILE HB H 1.599 0.011 . 811 95 95 ILE HG12 H 1.282 0.006 . 812 95 95 ILE HG13 H 0.964 0.009 . 813 95 95 ILE HG2 H 0.733 0.011 . 814 95 95 ILE HD1 H 0.637 0.001 . 815 95 95 ILE CA C 56.985 0.119 . 816 95 95 ILE CB C 35.02 0.057 . 817 95 95 ILE CG1 C 24.593 0.118 . 818 95 95 ILE CG2 C 14.927 0.053 . 819 95 95 ILE CD1 C 9.127 0.084 . 820 95 95 ILE N N 126.283 0.019 . 821 96 96 ASN H H 8.216 0.01 . 822 96 96 ASN HA H 4.542 0.003 . 823 96 96 ASN HB2 H 3.333 0.008 . 824 96 96 ASN HB3 H 2.808 0.007 . 825 96 96 ASN HD21 H 7.558 0.015 . 826 96 96 ASN HD22 H 7.208 0.001 . 827 96 96 ASN CA C 48.897 0.02 . 828 96 96 ASN CB C 36.74 0.037 . 829 96 96 ASN N N 125.247 0.038 . 830 96 96 ASN ND2 N 112.251 0.051 . 831 97 97 ALA H H 8.19 0.011 . 832 97 97 ALA HA H 4.073 0.005 . 833 97 97 ALA HB H 1.336 0.007 . 834 97 97 ALA CA C 51.269 0.091 . 835 97 97 ALA CB C 15.669 0.099 . 836 98 98 ASN H H 7.807 0.005 . 837 98 98 ASN HA H 4.728 0.008 . 838 98 98 ASN HB2 H 2.506 0.008 . 839 98 98 ASN HB3 H 2.917 0.011 . 840 98 98 ASN HD21 H 7.41 0.001 . 841 98 98 ASN HD22 H 6.821 0.001 . 842 98 98 ASN CA C 50.111 0.075 . 843 98 98 ASN CB C 35.889 0.036 . 844 98 98 ASN N N 115.491 0.012 . 845 98 98 ASN ND2 N 112.213 0.053 . 846 99 99 ASP H H 8.151 0.004 . 847 99 99 ASP HA H 4.193 0.014 . 848 99 99 ASP HB2 H 2.642 0.005 . 849 99 99 ASP HB3 H 2.832 0.003 . 850 99 99 ASP CA C 52.98 0.101 . 851 99 99 ASP CB C 36.987 0.048 . 852 99 99 ASP N N 115.8 0.015 . 853 100 100 GLN H H 7.695 0.008 . 854 100 100 GLN HA H 4.294 0.007 . 855 100 100 GLN HB2 H 1.85 0.013 . 856 100 100 GLN HB3 H 1.85 0.013 . 857 100 100 GLN HG2 H 2.193 0.005 . 858 100 100 GLN HG3 H 2.193 0.005 . 859 100 100 GLN HE21 H 7.471 0.006 . 860 100 100 GLN HE22 H 6.812 0.014 . 861 100 100 GLN CA C 52.028 0.029 . 862 100 100 GLN CB C 27.014 0.014 . 863 100 100 GLN CG C 30.888 0.016 . 864 100 100 GLN N N 117.709 0.014 . 865 100 100 GLN NE2 N 112.826 0.121 . 866 101 101 ALA H H 8.427 0.003 . 867 101 101 ALA HA H 4.709 0.007 . 868 101 101 ALA HB H 1.149 0.002 . 869 101 101 ALA CA C 48.73 0.105 . 870 101 101 ALA CB C 17.061 0.018 . 871 101 101 ALA N N 126.865 0.039 . 872 102 102 ILE H H 8.886 0.006 . 873 102 102 ILE HA H 4.054 0.006 . 874 102 102 ILE HB H 1.587 0.004 . 875 102 102 ILE HG12 H 1.291 0.005 . 876 102 102 ILE HG13 H 0.963 0.004 . 877 102 102 ILE HG2 H 0.41 0.003 . 878 102 102 ILE HD1 H 0.708 0.008 . 879 102 102 ILE CA C 57.2 0.038 . 880 102 102 ILE CB C 37.764 0.082 . 881 102 102 ILE CG1 C 24.616 0.141 . 882 102 102 ILE CG2 C 14.502 0.025 . 883 102 102 ILE CD1 C 10 0.018 . 884 102 102 ILE N N 125.35 0.018 . 885 103 103 ALA H H 8.147 0.008 . 886 103 103 ALA HA H 4.895 0.011 . 887 103 103 ALA HB H 1.092 0.006 . 888 103 103 ALA CA C 47.862 0.004 . 889 103 103 ALA CB C 16.707 0.019 . 890 103 103 ALA N N 128.447 0.027 . 891 104 104 TYR H H 8.665 0.008 . 892 104 104 TYR HA H 4.82 0.005 . 893 104 104 TYR HB2 H 2.766 0.01 . 894 104 104 TYR HB3 H 2.766 0.01 . 895 104 104 TYR HD1 H 6.81 0.005 . 896 104 104 TYR HD2 H 6.81 0.005 . 897 104 104 TYR HE1 H 6.467 0.006 . 898 104 104 TYR HE2 H 6.467 0.006 . 899 104 104 TYR CA C 54.278 0.039 . 900 104 104 TYR CB C 37.966 0.017 . 901 104 104 TYR CD2 C 130.371 0.032 . 902 104 104 TYR CE2 C 115.418 0.055 . 903 104 104 TYR N N 123.527 0.041 . 904 105 105 VAL H H 8.724 0.008 . 905 105 105 VAL HA H 4.712 0.005 . 906 105 105 VAL HB H 1.9 0.009 . 907 105 105 VAL HG1 H 0.977 0.012 . 908 105 105 VAL HG2 H 0.928 0.017 . 909 105 105 VAL CA C 59.624 0.048 . 910 105 105 VAL CB C 30.256 0.045 . 911 105 105 VAL CG1 C 20.931 0.015 . 912 105 105 VAL CG2 C 19.579 0.008 . 913 105 105 VAL N N 120.148 0.045 . 914 106 106 MET H H 8.772 0.006 . 915 106 106 MET HA H 4.712 0.003 . 916 106 106 MET HB2 H 1.9 0.02 . 917 106 106 MET HB3 H 2.142 0.003 . 918 106 106 MET HG2 H 2.275 0.003 . 919 106 106 MET HG3 H 2.146 0.001 . 920 106 106 MET CA C 50.615 0.058 . 921 106 106 MET CB C 33.207 0.117 . 922 106 106 MET CG C 28.216 0.047 . 923 106 106 MET N N 124.389 0.018 . 924 107 107 LEU H H 8.45 0.012 . 925 107 107 LEU HA H 4.214 0.011 . 926 107 107 LEU HB2 H 1.723 0.002 . 927 107 107 LEU HB3 H 1.723 0.002 . 928 107 107 LEU HG H 1.445 0.003 . 929 107 107 LEU HD1 H 0.838 0.009 . 930 107 107 LEU HD2 H 0.838 0.009 . 931 107 107 LEU CA C 53.895 0.086 . 932 107 107 LEU N N 118.467 0.021 . 933 108 108 GLY H H 7.806 0.004 . 934 108 108 GLY HA2 H 4.416 0.008 . 935 108 108 GLY HA3 H 3.186 0.006 . 936 108 108 GLY CA C 40.08 0.026 . 937 108 108 GLY N N 107.651 0.018 . 938 109 109 ASN H H 8.779 0.004 . 939 109 109 ASN HA H 4.397 0.002 . 940 109 109 ASN HB2 H 2.725 0.01 . 941 109 109 ASN HB3 H 2.914 0.008 . 942 109 109 ASN HD21 H 7.534 0.004 . 943 109 109 ASN HD22 H 6.749 0.005 . 944 109 109 ASN CA C 53.149 0.061 . 945 109 109 ASN CB C 35.888 0.102 . 946 109 109 ASN N N 117.885 0.023 . 947 109 109 ASN ND2 N 111.233 0.041 . 948 110 110 LYS H H 8.557 0.005 . 949 110 110 LYS HA H 4.527 0.012 . 950 110 110 LYS HB2 H 1.292 0.009 . 951 110 110 LYS HB3 H 1.737 0.015 . 952 110 110 LYS HG2 H 1.298 0.004 . 953 110 110 LYS HG3 H 1.447 0.001 . 954 110 110 LYS HE2 H 2.878 0.012 . 955 110 110 LYS HE3 H 2.878 0.012 . 956 110 110 LYS CA C 52.907 0.098 . 957 110 110 LYS CB C 30.184 0.108 . 958 110 110 LYS CG C 22.59 0.033 . 959 110 110 LYS N N 116.286 0.017 . 960 111 111 ALA H H 7.702 0.006 . 961 111 111 ALA HA H 3.792 0.005 . 962 111 111 ALA HB H 1.733 0.008 . 963 111 111 ALA CA C 54.316 0.069 . 964 111 111 ALA CB C 16.582 0.025 . 965 111 111 ALA N N 123.607 0.007 . 966 112 112 GLN H H 8.605 0.006 . 967 112 112 GLN HA H 3.801 0.011 . 968 112 112 GLN HB2 H 2.027 0.003 . 969 112 112 GLN HG2 H 2.344 0.005 . 970 112 112 GLN HG3 H 2.344 0.005 . 971 112 112 GLN HE21 H 7.415 0.012 . 972 112 112 GLN HE22 H 6.826 0.007 . 973 112 112 GLN CA C 55.714 0.157 . 974 112 112 GLN CB C 24.843 0.018 . 975 112 112 GLN CG C 30.793 0.023 . 976 112 112 GLN N N 115.007 0.044 . 977 112 112 GLN NE2 N 110.386 0.039 . 978 113 113 THR H H 7.442 0.01 . 979 113 113 THR HA H 4.041 0.021 . 980 113 113 THR HB H 4.099 0.008 . 981 113 113 THR HG2 H 1.202 0.007 . 982 113 113 THR CA C 62.754 0.051 . 983 113 113 THR CB C 65.564 0.064 . 984 113 113 THR CG2 C 20.689 0.064 . 985 113 113 THR N N 114.357 0.035 . 986 114 114 VAL H H 7.352 0.009 . 987 114 114 VAL HA H 3.885 0.009 . 988 114 114 VAL HB H 2.158 0.003 . 989 114 114 VAL HG1 H 0.929 0.002 . 990 114 114 VAL HG2 H 0.884 0.011 . 991 114 114 VAL CA C 62.521 0.026 . 992 114 114 VAL CB C 29.215 0.068 . 993 114 114 VAL CG1 C 20.464 0.067 . 994 114 114 VAL N N 119.643 0.04 . 995 115 115 LEU H H 7.827 0.008 . 996 115 115 LEU HA H 3.857 0.014 . 997 115 115 LEU HB2 H 1.438 0.004 . 998 115 115 LEU HB3 H 1.824 0.01 . 999 115 115 LEU HG H 1.7 0.014 . 1000 115 115 LEU HD1 H 0.778 0.018 . 1001 115 115 LEU HD2 H 0.778 0.018 . 1002 115 115 LEU CA C 55.427 0.017 . 1003 115 115 LEU CB C 38.598 0.044 . 1004 115 115 LEU CD1 C 22.248 0.010 . 1005 115 115 LEU N N 120.042 0.005 . 1006 116 116 ASN H H 8.212 0.004 . 1007 116 116 ASN HA H 4.62 0.003 . 1008 116 116 ASN HB2 H 2.854 0.017 . 1009 116 116 ASN HB3 H 2.854 0.017 . 1010 116 116 ASN CA C 50.488 0.046 . 1011 116 116 ASN CB C 35.936 0.072 . 1012 116 116 ASN N N 115.112 0.011 . 1013 117 117 GLY H H 7.434 0.006 . 1014 117 117 GLY HA2 H 4.08 0.007 . 1015 117 117 GLY HA3 H 3.891 0.007 . 1016 117 117 GLY CA C 43.081 0.027 . 1017 117 117 GLY N N 105.700 0.018 . 1018 118 118 ASN H H 7.87 0.003 . 1019 118 118 ASN HA H 4.821 0.009 . 1020 118 118 ASN HB2 H 2.919 0.009 . 1021 118 118 ASN HB3 H 2.571 0.006 . 1022 118 118 ASN CA C 50.61 0.033 . 1023 118 118 ASN CB C 37.206 0.136 . 1024 118 118 ASN N N 115.864 0.03 . 1025 119 119 LEU H H 7.398 0.008 . 1026 119 119 LEU HA H 4.432 0.008 . 1027 119 119 LEU HB2 H 1.142 0.002 . 1028 119 119 LEU HB3 H 1.292 0.017 . 1029 119 119 LEU HG H 1.275 0.005 . 1030 119 119 LEU HD1 H 0.683 0.006 . 1031 119 119 LEU HD2 H 0.878 0.007 . 1032 119 119 LEU CA C 52.651 0.008 . 1033 119 119 LEU CB C 42.244 0.038 . 1034 119 119 LEU CD1 C 23.131 0.061 . 1035 119 119 LEU CD2 C 20.936 0.015 . 1036 119 119 LEU N N 121.603 0.028 . 1037 120 120 LYS H H 8.388 0.002 . 1038 120 120 LYS HA H 4.601 0.003 . 1039 120 120 LYS HB2 H 1.546 0.006 . 1040 120 120 LYS HB3 H 1.684 0.005 . 1041 120 120 LYS HG2 H 1.556 0.015 . 1042 120 120 LYS HG3 H 1.556 0.015 . 1043 120 120 LYS CA C 52.181 0.029 . 1044 120 120 LYS CB C 30.496 0.010 . 1045 120 120 LYS N N 128.172 0.033 . 1046 121 121 VAL H H 8.594 0.007 . 1047 121 121 VAL HA H 4.015 0.004 . 1048 121 121 VAL HB H 1.506 0.007 . 1049 121 121 VAL HG1 H 0.624 0.008 . 1050 121 121 VAL HG2 H 0.667 0.011 . 1051 121 121 VAL CA C 59.145 0.121 . 1052 121 121 VAL CB C 30.885 0.023 . 1053 121 121 VAL CG1 C 18.383 0.043 . 1054 121 121 VAL CG2 C 18.029 0.127 . 1055 121 121 VAL N N 123.904 0.027 . 1056 122 122 ASP H H 8.207 0.003 . 1057 122 122 ASP HA H 5.348 0.009 . 1058 122 122 ASP HB2 H 2.362 0.004 . 1059 122 122 ASP HB3 H 2.362 0.004 . 1060 122 122 ASP CA C 49.978 0.03 . 1061 122 122 ASP CB C 40.719 0.008 . 1062 122 122 ASP N N 126.273 0.037 . 1063 123 123 PHE H H 8.916 0.005 . 1064 123 123 PHE HA H 4.807 0.008 . 1065 123 123 PHE HB2 H 2.878 0.007 . 1066 123 123 PHE HB3 H 2.65 0.008 . 1067 123 123 PHE HD1 H 7.026 0.017 . 1068 123 123 PHE HD2 H 7.026 0.017 . 1069 123 123 PHE CA C 54.084 0.118 . 1070 123 123 PHE CB C 41.758 0.083 . 1071 123 123 PHE CD1 C 128.451 0.211 . 1072 123 123 PHE N N 120.199 0.014 . 1073 124 124 MET H H 8.04 0.013 . 1074 124 124 MET HA H 4.473 0.006 . 1075 124 124 MET HB2 H 1.64 0.021 . 1076 124 124 MET HB3 H 1.64 0.021 . 1077 124 124 MET HG2 H 2.158 0.005 . 1078 124 124 MET HG3 H 2.158 0.005 . 1079 124 124 MET CA C 51.325 0.103 . 1080 124 124 MET CG C 28.695 0.008 . 1081 124 124 MET N N 128.106 0.068 . 1082 125 125 GLU H H 8.451 0.003 . 1083 125 125 GLU HA H 3.587 0.005 . 1084 125 125 GLU HB2 H 1.824 0.018 . 1085 125 125 GLU HB3 H 1.824 0.018 . 1086 125 125 GLU HG2 H 2.137 0.006 . 1087 125 125 GLU HG3 H 2.018 0.054 . 1088 125 125 GLU CA C 54.42 0.015 . 1089 125 125 GLU CG C 35.197 0.04 . 1090 125 125 GLU N N 126.392 0.004 . 1091 126 126 THR H H 8.388 0.007 . 1092 126 126 THR HA H 4.386 0.005 . 1093 126 126 THR HB H 4.138 0.007 . 1094 126 126 THR HG2 H 0.951 0.002 . 1095 126 126 THR CA C 57.785 0.028 . 1096 126 126 THR CB C 68.157 0.012 . 1097 126 126 THR CG2 C 19.121 0.131 . 1098 126 126 THR N N 113.322 0.009 . 1099 127 127 GLU H H 8.398 0.005 . 1100 127 127 GLU HA H 4.193 0.005 . 1101 127 127 GLU HB2 H 1.72 0.005 . 1102 127 127 GLU HB3 H 1.72 0.005 . 1103 127 127 GLU CA C 53.809 0.010 . 1104 127 127 GLU N N 121.388 0.035 . stop_ save_