data_4860 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for human lymphocyte specific kinase (Lck) unique and SH3 domain ; _BMRB_accession_number 4860 _BMRB_flat_file_name bmr4860.str _Entry_type original _Submission_date 2000-10-17 _Accession_date 2000-10-17 _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 Briese Lars . . 2 Hoffmann Silke . . 3 Friedrich Ute . . 4 Biesinger Brigitte . . 5 Willbold Dieter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 522 "13C chemical shifts" 436 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-12-07 original author . stop_ _Original_release_date 2000-12-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Sequence-specific 1H, 13C and 15N resonance assignments of lymphocyte specific kinase unique and SH3 domains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Briese Lars . . 2 Hoffmann Silke . . 3 Friedrich Ute . . 4 Biesinger Brigitte . . 5 Willbold Dieter . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 19 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 193 _Page_last 194 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_p56Lck _Saveframe_category molecular_system _Mol_system_name 'Lck unique SH3' _Abbreviation_common p56Lck _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Lck unique SH3' $Lck stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Lck _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'lymphocyte specific kinase' _Abbreviation_common Lck _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GPLGSMGCGCSSHPEDDWME NIDVCENCHYPIVPLDGKGT LLIRNGSEVRDPLVTYEGSN PPASPLQDNLVIALHSYEPS HDGDLGFEKGEQLRILEQSG EWWKAQSLTTGQEGFIPFNF VAKANS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 MET 7 GLY 8 CYS 9 GLY 10 CYS 11 SER 12 SER 13 HIS 14 PRO 15 GLU 16 ASP 17 ASP 18 TRP 19 MET 20 GLU 21 ASN 22 ILE 23 ASP 24 VAL 25 CYS 26 GLU 27 ASN 28 CYS 29 HIS 30 TYR 31 PRO 32 ILE 33 VAL 34 PRO 35 LEU 36 ASP 37 GLY 38 LYS 39 GLY 40 THR 41 LEU 42 LEU 43 ILE 44 ARG 45 ASN 46 GLY 47 SER 48 GLU 49 VAL 50 ARG 51 ASP 52 PRO 53 LEU 54 VAL 55 THR 56 TYR 57 GLU 58 GLY 59 SER 60 ASN 61 PRO 62 PRO 63 ALA 64 SER 65 PRO 66 LEU 67 GLN 68 ASP 69 ASN 70 LEU 71 VAL 72 ILE 73 ALA 74 LEU 75 HIS 76 SER 77 TYR 78 GLU 79 PRO 80 SER 81 HIS 82 ASP 83 GLY 84 ASP 85 LEU 86 GLY 87 PHE 88 GLU 89 LYS 90 GLY 91 GLU 92 GLN 93 LEU 94 ARG 95 ILE 96 LEU 97 GLU 98 GLN 99 SER 100 GLY 101 GLU 102 TRP 103 TRP 104 LYS 105 ALA 106 GLN 107 SER 108 LEU 109 THR 110 THR 111 GLY 112 GLN 113 GLU 114 GLY 115 PHE 116 ILE 117 PRO 118 PHE 119 ASN 120 PHE 121 VAL 122 ALA 123 LYS 124 ALA 125 ASN 126 SER 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 BMRB 5794 LckSH32 50.79 169 100.00 100.00 3.26e-36 PDB 1LCK "Sh3-Sh2 Domain Fragment Of Human P56-Lck Tyrosine Kinase Complexed With The 10 Residue Synthetic Phosphotyrosyl Peptide Tegqpyq" 54.76 175 100.00 100.00 3.57e-40 PDB 4D8K "Crystal Structure Of A Sh3-Sh2 Domains Of A Lymphocyte-Specific Protein Tyrosine Kinase (Lck) From Homo Sapiens At 2.36 A Resol" 54.76 175 100.00 100.00 4.16e-40 DBJ BAG64189 "unnamed protein product [Homo sapiens]" 99.21 536 98.40 99.20 1.17e-81 DBJ BAI45973 "lymphocyte-specific protein tyrosine kinase [synthetic construct]" 96.03 509 100.00 100.00 1.42e-80 EMBL CAA28691 "unnamed protein product [Homo sapiens]" 96.03 507 100.00 100.00 6.44e-81 EMBL CAA31884 "unnamed protein product [Homo sapiens]" 96.03 509 99.17 99.17 1.97e-79 EMBL CAA32211 "unnamed protein product [Homo sapiens]" 96.03 509 100.00 100.00 1.42e-80 EMBL CAC44027 "lck protein [Hylobates sp.]" 96.03 509 100.00 100.00 1.30e-80 GB AAA18225 "lymphocyte-specific protein tyrosine kinase [Homo sapiens]" 96.03 512 99.17 100.00 3.79e-80 GB AAA59502 "lymphocyte-specific protein tyrosine kinase [Homo sapiens]" 96.03 509 97.52 97.52 1.53e-77 GB AAC50287 "p56lck [Homo sapiens]" 96.03 363 100.00 100.00 2.89e-82 GB AAF34794 "tyrosine kinase LCK, partial [Homo sapiens]" 85.71 496 100.00 100.00 9.36e-69 GB AAH13200 "LCK protein [Homo sapiens]" 96.03 539 100.00 100.00 2.84e-80 PRF 2201317A "protein Tyr kinase p56lck" 96.03 363 100.00 100.00 2.89e-82 REF NP_001036236 "tyrosine-protein kinase Lck [Homo sapiens]" 96.03 509 100.00 100.00 1.42e-80 REF NP_005347 "tyrosine-protein kinase Lck [Homo sapiens]" 96.03 509 100.00 100.00 1.42e-80 REF XP_002802373 "PREDICTED: tyrosine-protein kinase Lck-like [Macaca mulatta]" 96.03 181 100.00 100.00 1.01e-83 REF XP_003276479 "PREDICTED: tyrosine-protein kinase Lck [Nomascus leucogenys]" 76.19 446 97.92 98.96 5.89e-59 REF XP_003828198 "PREDICTED: tyrosine-protein kinase Lck isoform X4 [Pan paniscus]" 96.03 509 100.00 100.00 1.42e-80 SP P06239 "RecName: Full=Tyrosine-protein kinase Lck; AltName: Full=Leukocyte C-terminal Src kinase; Short=LSK; AltName: Full=Lymphocyte c" 96.03 509 100.00 100.00 1.42e-80 TPE CAD55807 "TPA: protein tyrosine kinase [Homo sapiens]" 96.03 509 100.00 100.00 1.42e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Lck 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 $Lck 'recombinant technology' 'E. coli' Escherichia coli . plasmid pLCKU3 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 $Lck 1.6 mM '[U-15N; U-13C]' 'sodium acetate' 20 mM . 2-mercaptoethanol 10 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label . save_ save_15N_NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label . save_ save_13C_NOESY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HCCONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_CCONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . direct . . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Lck unique SH3' _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 . 6 MET CA C 55.7 0.2 1 2 . 6 MET CB C 32.6 0.2 1 3 . 6 MET CE C 17.1 0.2 1 4 . 6 MET HE H 2.06 0.02 1 5 . 6 MET C C 176.9 0.2 1 6 . 7 GLY N N 109.7 0.1 1 7 . 7 GLY H H 8.36 0.02 1 8 . 7 GLY CA C 45.6 0.2 1 9 . 7 GLY HA3 H 3.96 0.02 2 10 . 7 GLY C C 174.4 0.2 1 11 . 8 CYS N N 117.1 0.1 1 12 . 8 CYS H H 8.32 0.02 1 13 . 8 CYS CA C 58.7 0.2 1 14 . 8 CYS HA H 4.52 0.02 1 15 . 8 CYS CB C 28.3 0.2 1 16 . 8 CYS HB2 H 2.93 0.02 2 17 . 8 CYS C C 175.4 0.2 1 18 . 9 GLY N N 111.6 0.1 1 19 . 9 GLY H H 8.57 0.02 1 20 . 9 GLY CA C 45.6 0.2 1 21 . 9 GLY HA3 H 3.97 0.02 2 22 . 9 GLY C C 174.3 0.2 1 23 . 10 CYS N N 118.9 0.1 1 24 . 10 CYS H H 8.22 0.02 1 25 . 10 CYS CA C 58.5 0.2 1 26 . 10 CYS HA H 4.57 0.02 1 27 . 10 CYS CB C 28.5 0.2 1 28 . 10 CYS HB2 H 2.89 0.02 2 29 . 10 CYS C C 174.9 0.2 1 30 . 11 SER N N 118.5 0.1 1 31 . 11 SER H H 8.47 0.02 1 32 . 11 SER CA C 58.4 0.2 1 33 . 11 SER HA H 4.46 0.02 1 34 . 11 SER CB C 64.1 0.2 1 35 . 11 SER HB2 H 3.89 0.02 2 36 . 11 SER HB3 H 3.79 0.02 2 37 . 11 SER C C 174.6 0.2 1 38 . 12 SER N N 117.6 0.1 1 39 . 12 SER H H 8.28 0.02 1 40 . 12 SER CA C 58.5 0.2 1 41 . 12 SER HA H 3.87 0.02 1 42 . 12 SER CB C 63.9 0.2 1 43 . 12 SER HB2 H 3.76 0.02 2 44 . 12 SER C C 174.0 0.2 1 45 . 13 HIS N N 120.7 0.1 1 46 . 13 HIS H H 8.41 0.02 1 47 . 13 HIS CA C 53.6 0.2 1 48 . 13 HIS HA H 4.97 0.02 1 49 . 13 HIS CB C 29.0 0.2 1 50 . 13 HIS HB2 H 3.03 0.02 2 51 . 13 HIS HB3 H 3.17 0.02 2 52 . 14 PRO CD C 50.8 0.2 1 53 . 14 PRO CA C 64.0 0.2 1 54 . 14 PRO HA H 4.34 0.02 1 55 . 14 PRO CB C 32.3 0.2 1 56 . 14 PRO HB2 H 2.22 0.02 2 57 . 14 PRO CG C 27.5 0.2 1 58 . 14 PRO HG2 H 1.91 0.02 2 59 . 14 PRO C C 177.4 0.2 1 60 . 15 GLU N N 120.2 0.1 1 61 . 15 GLU H H 8.89 0.02 1 62 . 15 GLU CA C 57.3 0.2 1 63 . 15 GLU HA H 4.19 0.02 1 64 . 15 GLU CB C 29.7 0.2 1 65 . 15 GLU HB2 H 1.92 0.02 2 66 . 15 GLU CG C 36.4 0.2 1 67 . 15 GLU HG2 H 2.28 0.02 2 68 . 15 GLU C C 176.8 0.2 1 69 . 16 ASP N N 120.4 0.1 1 70 . 16 ASP H H 8.13 0.02 1 71 . 16 ASP CA C 54.8 0.2 1 72 . 16 ASP HA H 4.53 0.02 1 73 . 16 ASP CB C 41.2 0.2 1 74 . 16 ASP HB2 H 2.59 0.02 2 75 . 16 ASP C C 176.4 0.2 1 76 . 17 ASP N N 120.3 0.1 1 77 . 17 ASP H H 8.11 0.02 1 78 . 17 ASP CA C 54.7 0.2 1 79 . 17 ASP HA H 4.52 0.02 1 80 . 17 ASP CB C 41.0 0.2 1 81 . 17 ASP HB2 H 2.59 0.02 2 82 . 17 ASP C C 176.3 0.2 1 83 . 18 TRP N N 121.1 0.1 1 84 . 18 TRP H H 7.90 0.02 1 85 . 18 TRP CA C 57.7 0.2 1 86 . 18 TRP HA H 4.53 0.02 1 87 . 18 TRP CB C 29.4 0.2 1 88 . 18 TRP HB2 H 3.25 0.02 2 89 . 18 TRP NE1 N 129.8 0.1 1 90 . 18 TRP HE1 H 10.13 0.02 1 91 . 18 TRP C C 176.5 0.2 1 92 . 19 MET N N 121.9 0.1 1 93 . 19 MET H H 7.76 0.02 1 94 . 19 MET CA C 55.8 0.2 1 95 . 19 MET HA H 4.15 0.02 1 96 . 19 MET CB C 33.1 0.2 1 97 . 19 MET HB2 H 1.75 0.02 2 98 . 19 MET HB3 H 1.82 0.02 2 99 . 19 MET CG C 31.8 0.2 1 100 . 19 MET HG2 H 2.10 0.02 2 101 . 19 MET CE C 17.1 0.2 1 102 . 19 MET HE H 1.97 0.02 1 103 . 19 MET C C 175.8 0.2 1 104 . 20 GLU N N 121.1 0.1 1 105 . 20 GLU H H 8.01 0.02 1 106 . 20 GLU CA C 56.8 0.2 1 107 . 20 GLU HA H 4.08 0.02 1 108 . 20 GLU CB C 30.4 0.2 1 109 . 20 GLU HB2 H 2.17 0.02 2 110 . 20 GLU HG2 H 1.88 0.02 2 111 . 20 GLU C C 176.2 0.2 1 112 . 21 ASN N N 119.6 0.1 1 113 . 21 ASN H H 8.31 0.02 1 114 . 21 ASN CA C 53.3 0.2 1 115 . 21 ASN HA H 4.65 0.02 1 116 . 21 ASN CB C 39.1 0.2 1 117 . 21 ASN HB2 H 2.78 0.02 2 118 . 21 ASN HB3 H 2.64 0.02 2 119 . 21 ASN C C 175.1 0.2 1 120 . 22 ILE N N 120.8 0.1 1 121 . 22 ILE H H 7.97 0.02 1 122 . 22 ILE CA C 61.4 0.2 1 123 . 22 ILE HA H 4.13 0.02 1 124 . 22 ILE CB C 39.1 0.2 1 125 . 22 ILE HB H 1.84 0.02 1 126 . 22 ILE CG2 C 17.7 0.2 1 127 . 22 ILE HG2 H 0.83 0.02 1 128 . 22 ILE CG1 C 27.2 0.2 1 129 . 22 ILE HG13 H 1.12 0.02 2 130 . 22 ILE CD1 C 13.4 0.2 1 131 . 22 ILE HD1 H 0.88 0.02 1 132 . 22 ILE C C 175.9 0.2 1 133 . 23 ASP N N 124.1 0.1 1 134 . 23 ASP H H 8.36 0.02 1 135 . 23 ASP CA C 54.5 0.2 1 136 . 23 ASP HA H 4.64 0.02 1 137 . 23 ASP CB C 41.3 0.2 1 138 . 23 ASP HB2 H 2.69 0.02 2 139 . 23 ASP HB3 H 2.55 0.02 2 140 . 23 ASP C C 176.5 0.2 1 141 . 24 VAL N N 120.1 0.1 1 142 . 24 VAL H H 8.02 0.02 1 143 . 24 VAL CA C 62.6 0.2 1 144 . 24 VAL HA H 4.08 0.02 1 145 . 24 VAL CB C 32.7 0.2 1 146 . 24 VAL HB H 2.11 0.02 1 147 . 24 VAL HG1 H 0.87 0.02 1 148 . 24 VAL C C 176.4 0.2 1 149 . 25 CYS N N 122.5 0.1 1 150 . 25 CYS H H 8.35 0.02 1 151 . 25 CYS CA C 59.0 0.2 1 152 . 25 CYS HA H 4.74 0.02 1 153 . 25 CYS CB C 28.1 0.2 1 154 . 25 CYS HB2 H 2.91 0.02 2 155 . 25 CYS C C 174.9 0.2 1 156 . 26 GLU N N 122.5 0.1 1 157 . 26 GLU H H 8.44 0.02 1 158 . 26 GLU CA C 57.1 0.2 1 159 . 26 GLU HA H 4.21 0.02 1 160 . 26 GLU CB C 30.3 0.2 1 161 . 26 GLU HB2 H 1.93 0.02 2 162 . 26 GLU CG C 36.3 0.2 1 163 . 26 GLU HG2 H 2.22 0.02 2 164 . 26 GLU C C 176.4 0.2 1 165 . 27 ASN N N 119.2 0.1 1 166 . 27 ASN H H 8.38 0.02 1 167 . 27 ASN CA C 53.4 0.2 1 168 . 27 ASN HA H 4.63 0.02 1 169 . 27 ASN CB C 38.9 0.2 1 170 . 27 ASN HB2 H 2.78 0.02 2 171 . 27 ASN HB3 H 2.70 0.02 2 172 . 27 ASN C C 175.2 0.2 1 173 . 28 CYS N N 118.9 0.1 1 174 . 28 CYS H H 8.10 0.02 1 175 . 28 CYS CA C 58.7 0.2 1 176 . 28 CYS HA H 4.33 0.02 1 177 . 28 CYS CB C 28.0 0.2 1 178 . 28 CYS HB2 H 2.76 0.02 2 179 . 29 HIS CA C 55.3 0.2 1 180 . 29 HIS HA H 4.64 0.02 1 181 . 29 HIS CB C 29.5 0.2 1 182 . 29 HIS HB2 H 3.00 0.02 2 183 . 29 HIS HB3 H 3.09 0.02 2 184 . 31 PRO CD C 50.8 0.2 1 185 . 31 PRO CA C 63.1 0.2 1 186 . 31 PRO HA H 4.43 0.02 1 187 . 31 PRO CB C 32.1 0.2 1 188 . 31 PRO HB2 H 2.19 0.02 2 189 . 31 PRO CG C 27.5 0.2 1 190 . 31 PRO HG2 H 1.96 0.02 2 191 . 31 PRO HG3 H 1.84 0.02 2 192 . 31 PRO C C 176.7 0.2 1 193 . 32 ILE N N 121.5 0.1 1 194 . 32 ILE H H 8.18 0.02 1 195 . 32 ILE CA C 61.2 0.2 1 196 . 32 ILE HA H 4.12 0.02 1 197 . 32 ILE CB C 38.8 0.2 1 198 . 32 ILE HB H 1.78 0.02 1 199 . 32 ILE CG2 C 17.7 0.2 1 200 . 32 ILE HG2 H 0.84 0.02 1 201 . 32 ILE CG1 C 27.6 0.2 1 202 . 32 ILE HG12 H 1.48 0.02 2 203 . 32 ILE HG13 H 1.17 0.02 2 204 . 32 ILE CD1 C 13.0 0.2 1 205 . 32 ILE HD1 H 0.84 0.02 1 206 . 32 ILE C C 176.5 0.2 1 207 . 33 VAL N N 126.3 0.1 1 208 . 33 VAL H H 8.19 0.02 1 209 . 33 VAL CA C 59.8 0.2 1 210 . 33 VAL HA H 4.42 0.02 1 211 . 33 VAL CB C 33.0 0.2 1 212 . 33 VAL HB H 2.04 0.02 1 213 . 33 VAL CG1 C 21.2 0.2 1 214 . 33 VAL HG1 H 0.93 0.02 1 215 . 33 VAL CG2 C 20.5 0.2 1 216 . 33 VAL HG2 H 0.91 0.02 1 217 . 34 PRO CD C 51.2 0.2 1 218 . 34 PRO CA C 63.0 0.2 1 219 . 34 PRO HA H 4.36 0.02 1 220 . 34 PRO CB C 32.3 0.2 1 221 . 34 PRO HB2 H 2.23 0.02 2 222 . 34 PRO CG C 27.5 0.2 1 223 . 34 PRO HG2 H 1.99 0.02 2 224 . 34 PRO HG3 H 1.88 0.02 2 225 . 34 PRO C C 177.2 0.2 1 226 . 35 LEU N N 122.9 0.1 1 227 . 35 LEU H H 8.36 0.02 1 228 . 35 LEU CA C 55.5 0.2 1 229 . 35 LEU HA H 4.28 0.02 1 230 . 35 LEU CB C 42.5 0.2 1 231 . 35 LEU HB3 H 1.54 0.02 2 232 . 35 LEU CG C 27.1 0.2 1 233 . 35 LEU HG H 1.61 0.02 1 234 . 35 LEU CD1 C 25.0 0.2 1 235 . 35 LEU HD1 H 0.85 0.02 1 236 . 35 LEU CD2 C 23.6 0.2 1 237 . 35 LEU C C 177.6 0.2 1 238 . 36 ASP N N 120.3 0.1 1 239 . 36 ASP H H 8.27 0.02 1 240 . 36 ASP CA C 54.2 0.2 1 241 . 36 ASP HA H 4.52 0.02 1 242 . 36 ASP CB C 41.3 0.2 1 243 . 36 ASP HB2 H 2.67 0.02 2 244 . 36 ASP C C 177.1 0.2 1 245 . 37 GLY N N 109.1 0.1 1 246 . 37 GLY H H 8.29 0.02 1 247 . 37 GLY CA C 45.8 0.2 1 248 . 37 GLY HA3 H 3.91 0.02 2 249 . 37 GLY C C 174.8 0.2 1 250 . 38 LYS N N 120.5 0.1 1 251 . 38 LYS H H 8.18 0.02 1 252 . 38 LYS CA C 56.7 0.2 1 253 . 38 LYS HA H 4.30 0.02 1 254 . 38 LYS CB C 32.9 0.2 1 255 . 38 LYS HB2 H 1.81 0.02 2 256 . 38 LYS CG C 25.0 0.2 1 257 . 38 LYS HG2 H 1.38 0.02 2 258 . 38 LYS CD C 29.0 0.2 1 259 . 38 LYS C C 177.5 0.2 1 260 . 39 GLY N N 109.5 0.1 1 261 . 39 GLY H H 8.43 0.02 1 262 . 39 GLY CA C 45.6 0.2 1 263 . 39 GLY HA3 H 3.96 0.02 2 264 . 39 GLY C C 174.5 0.2 1 265 . 40 THR N N 114.3 0.1 1 266 . 40 THR H H 8.00 0.02 1 267 . 40 THR CA C 62.2 0.2 1 268 . 40 THR HA H 4.28 0.02 1 269 . 40 THR CB C 69.9 0.2 1 270 . 40 THR HB H 4.14 0.02 1 271 . 40 THR CG2 C 21.9 0.2 1 272 . 40 THR HG2 H 1.12 0.02 1 273 . 40 THR C C 174.5 0.2 1 274 . 41 LEU N N 124.9 0.1 1 275 . 41 LEU H H 8.20 0.02 1 276 . 41 LEU CA C 55.3 0.2 1 277 . 41 LEU HA H 4.33 0.02 1 278 . 41 LEU CB C 42.5 0.2 1 279 . 41 LEU HB2 H 1.56 0.02 2 280 . 41 LEU HD1 H 0.86 0.02 1 281 . 41 LEU C C 177.0 0.2 1 282 . 42 LEU N N 123.9 0.1 1 283 . 42 LEU H H 8.17 0.02 1 284 . 42 LEU CA C 55.3 0.2 1 285 . 42 LEU HA H 4.32 0.02 1 286 . 42 LEU CB C 42.5 0.2 1 287 . 42 LEU HB2 H 1.54 0.02 2 288 . 42 LEU CG C 27.2 0.2 1 289 . 42 LEU HG H 1.61 0.02 1 290 . 42 LEU CD1 C 24.9 0.2 1 291 . 42 LEU HD1 H 0.87 0.02 1 292 . 42 LEU HD2 H 0.82 0.02 1 293 . 42 LEU CD2 C 23.9 0.2 1 294 . 42 LEU C C 176.9 0.2 1 295 . 43 ILE N N 122.7 0.1 1 296 . 43 ILE H H 8.06 0.02 1 297 . 43 ILE CA C 60.9 0.2 1 298 . 43 ILE HA H 4.14 0.02 1 299 . 43 ILE CB C 38.7 0.2 1 300 . 43 ILE HB H 1.80 0.02 1 301 . 43 ILE HG12 H 1.42 0.02 2 302 . 43 ILE CD1 C 12.8 0.2 1 303 . 43 ILE HD1 H 0.81 0.02 1 304 . 43 ILE C C 176.3 0.2 1 305 . 44 ARG N N 125.9 0.1 1 306 . 44 ARG H H 8.43 0.02 1 307 . 44 ARG CA C 56.0 0.2 1 308 . 44 ARG CB C 31.1 0.2 1 309 . 44 ARG C C 176.1 0.2 1 310 . 45 ASN N N 120.9 0.1 1 311 . 45 ASN H H 8.56 0.02 1 312 . 45 ASN CA C 53.5 0.2 1 313 . 45 ASN HA H 4.65 0.02 1 314 . 45 ASN CB C 39.1 0.2 1 315 . 45 ASN HB2 H 2.71 0.02 2 316 . 45 ASN HB3 H 2.82 0.02 2 317 . 45 ASN C C 176.0 0.2 1 318 . 46 GLY N N 109.9 0.1 1 319 . 46 GLY H H 8.54 0.02 1 320 . 46 GLY CA C 45.7 0.2 1 321 . 46 GLY HA3 H 4.00 0.02 2 322 . 46 GLY HA2 H 3.90 0.02 2 323 . 46 GLY C C 174.5 0.2 1 324 . 47 SER N N 115.7 0.1 1 325 . 47 SER H H 8.19 0.02 1 326 . 47 SER CA C 58.7 0.2 1 327 . 47 SER HA H 4.42 0.02 1 328 . 47 SER CB C 64.1 0.2 1 329 . 47 SER HB2 H 3.83 0.02 2 330 . 47 SER C C 174.6 0.2 1 331 . 48 GLU N N 122.9 0.1 1 332 . 48 GLU H H 8.54 0.02 1 333 . 48 GLU CA C 56.8 0.2 1 334 . 48 GLU HA H 4.28 0.02 1 335 . 48 GLU CB C 30.3 0.2 1 336 . 48 GLU HB2 H 2.00 0.02 2 337 . 48 GLU HB3 H 1.88 0.02 2 338 . 48 GLU CG C 36.2 0.2 1 339 . 48 GLU HG2 H 2.20 0.02 2 340 . 48 GLU HG3 H 2.25 0.02 2 341 . 48 GLU C C 176.5 0.2 1 342 . 49 VAL N N 122.1 0.1 1 343 . 49 VAL H H 8.17 0.02 1 344 . 49 VAL CA C 62.4 0.2 1 345 . 49 VAL HA H 4.05 0.02 1 346 . 49 VAL CB C 32.8 0.2 1 347 . 49 VAL HB H 2.01 0.02 1 348 . 49 VAL CG1 C 21.4 0.2 1 349 . 49 VAL HG1 H 0.87 0.02 1 350 . 49 VAL CG2 C 20.9 0.2 1 351 . 49 VAL C C 176.1 0.2 1 352 . 50 ARG N N 125.7 0.1 1 353 . 50 ARG H H 8.37 0.02 1 354 . 50 ARG CA C 55.6 0.2 1 355 . 50 ARG HA H 4.34 0.02 1 356 . 50 ARG CB C 31.3 0.2 1 357 . 50 ARG HB2 H 1.75 0.02 2 358 . 50 ARG HB3 H 1.67 0.02 2 359 . 50 ARG CG C 27.2 0.2 1 360 . 50 ARG HG2 H 1.53 0.02 2 361 . 50 ARG HG3 H 1.49 0.02 2 362 . 50 ARG CD C 43.4 0.2 1 363 . 50 ARG HD2 H 3.08 0.02 2 364 . 50 ARG C C 175.6 0.2 1 365 . 51 ASP N N 123.9 0.1 1 366 . 51 ASP H H 8.35 0.02 1 367 . 51 ASP CA C 52.4 0.2 1 368 . 51 ASP HA H 4.82 0.02 1 369 . 51 ASP CB C 41.5 0.2 1 370 . 51 ASP HB2 H 2.76 0.02 2 371 . 51 ASP HB3 H 2.50 0.02 2 372 . 52 PRO CD C 51.0 0.2 1 373 . 52 PRO CA C 63.6 0.2 1 374 . 52 PRO HA H 4.37 0.02 1 375 . 52 PRO CB C 32.3 0.2 1 376 . 52 PRO HB2 H 2.25 0.02 2 377 . 52 PRO HB3 H 1.88 0.02 2 378 . 52 PRO CG C 27.3 0.2 1 379 . 52 PRO HG2 H 1.94 0.02 2 380 . 52 PRO C C 177.2 0.2 1 381 . 53 LEU N N 120.8 0.1 1 382 . 53 LEU H H 8.36 0.02 1 383 . 53 LEU CA C 55.5 0.2 1 384 . 53 LEU HA H 4.28 0.02 1 385 . 53 LEU CB C 42.0 0.2 1 386 . 53 LEU HB2 H 1.67 0.02 2 387 . 53 LEU HB3 H 1.54 0.02 2 388 . 53 LEU CG C 27.4 0.2 1 389 . 53 LEU HG H 1.56 0.02 1 390 . 53 LEU CD1 C 25.0 0.2 1 391 . 53 LEU HD1 H 0.87 0.02 1 392 . 53 LEU CD2 C 23.4 0.2 1 393 . 53 LEU HD2 H 0.82 0.02 1 394 . 53 LEU C C 177.7 0.2 1 395 . 54 VAL N N 121.0 0.1 1 396 . 54 VAL H H 7.82 0.02 1 397 . 54 VAL CA C 62.4 0.2 1 398 . 54 VAL HA H 4.10 0.02 1 399 . 54 VAL CB C 32.9 0.2 1 400 . 54 VAL HB H 2.01 0.02 1 401 . 54 VAL CG1 C 21.2 0.2 1 402 . 54 VAL HG1 H 0.87 0.02 1 403 . 54 VAL CG2 C 21.0 0.2 1 404 . 54 VAL HG2 H 0.77 0.02 1 405 . 54 VAL C C 176.0 0.2 1 406 . 55 THR N N 118.1 0.1 1 407 . 55 THR H H 8.06 0.02 1 408 . 55 THR CA C 61.6 0.2 1 409 . 55 THR HA H 4.30 0.02 1 410 . 55 THR CB C 70.0 0.2 1 411 . 55 THR HB H 4.10 0.02 1 412 . 55 THR CG2 C 21.6 0.2 1 413 . 55 THR HG2 H 1.10 0.02 1 414 . 55 THR C C 174.1 0.2 1 415 . 56 TYR N N 123.1 0.1 1 416 . 56 TYR H H 8.24 0.02 1 417 . 56 TYR CA C 58.0 0.2 1 418 . 56 TYR HA H 4.56 0.02 1 419 . 56 TYR CB C 39.1 0.2 1 420 . 56 TYR HB2 H 3.01 0.02 2 421 . 56 TYR HB3 H 2.91 0.02 2 422 . 56 TYR C C 175.9 0.2 1 423 . 57 GLU N N 123.7 0.1 1 424 . 57 GLU H H 8.43 0.02 1 425 . 57 GLU CA C 56.8 0.2 1 426 . 57 GLU HA H 4.23 0.02 1 427 . 57 GLU CB C 30.4 0.2 1 428 . 57 GLU HB2 H 1.86 0.02 2 429 . 57 GLU HB3 H 2.01 0.02 2 430 . 57 GLU CG C 36.2 0.2 1 431 . 57 GLU HG2 H 2.19 0.02 2 432 . 57 GLU C C 176.9 0.2 1 433 . 58 GLY N N 110.1 0.1 1 434 . 58 GLY H H 8.05 0.02 1 435 . 58 GLY CA C 45.4 0.2 1 436 . 58 GLY HA3 H 3.91 0.02 2 437 . 58 GLY C C 174.2 0.2 1 438 . 59 SER N N 115.1 0.1 1 439 . 59 SER H H 8.14 0.02 1 440 . 59 SER CA C 58.4 0.2 1 441 . 59 SER HA H 4.43 0.02 1 442 . 59 SER CB C 64.1 0.2 1 443 . 59 SER HB2 H 3.80 0.02 2 444 . 59 SER C C 174.1 0.2 1 445 . 60 ASN N N 121.3 0.1 1 446 . 60 ASN H H 8.43 0.02 1 447 . 60 ASN CA C 51.7 0.2 1 448 . 60 ASN HA H 4.98 0.02 1 449 . 60 ASN CB C 39.0 0.2 1 450 . 60 ASN HB2 H 2.58 0.02 2 451 . 60 ASN HB3 H 2.71 0.02 2 452 . 60 ASN ND2 N 113.6 0.1 1 453 . 60 ASN HD21 H 7.54 0.02 2 454 . 60 ASN HD22 H 6.87 0.02 2 455 . 62 PRO CD C 50.5 0.2 1 456 . 62 PRO CA C 62.8 0.2 1 457 . 62 PRO HA H 4.35 0.02 1 458 . 62 PRO CB C 32.1 0.2 1 459 . 62 PRO HB2 H 2.23 0.02 2 460 . 62 PRO CG C 27.3 0.2 1 461 . 62 PRO HG2 H 1.96 0.02 2 462 . 62 PRO HG3 H 1.85 0.02 2 463 . 62 PRO C C 176.7 0.2 1 464 . 63 ALA N N 124.5 0.1 1 465 . 63 ALA H H 8.35 0.02 1 466 . 63 ALA CA C 52.4 0.2 1 467 . 63 ALA HA H 4.27 0.02 1 468 . 63 ALA CB C 19.5 0.2 1 469 . 63 ALA HB H 1.34 0.02 1 470 . 63 ALA C C 177.8 0.2 1 471 . 64 SER N N 116.6 0.1 1 472 . 64 SER H H 8.27 0.02 1 473 . 64 SER CA C 56.4 0.2 1 474 . 64 SER HA H 3.70 0.02 1 475 . 64 SER CB C 63.6 0.2 1 476 . 65 PRO CD C 50.9 0.2 1 477 . 65 PRO CA C 63.3 0.2 1 478 . 65 PRO HA H 4.40 0.02 1 479 . 65 PRO CB C 32.2 0.2 1 480 . 65 PRO HB2 H 2.23 0.02 2 481 . 65 PRO HB3 H 1.87 0.02 2 482 . 65 PRO CG C 27.4 0.2 1 483 . 65 PRO HG2 H 1.96 0.02 2 484 . 65 PRO HG3 H 1.85 0.02 2 485 . 65 PRO C C 177.1 0.2 1 486 . 66 LEU N N 122.0 0.1 1 487 . 66 LEU H H 8.23 0.02 1 488 . 66 LEU CA C 55.5 0.2 1 489 . 66 LEU HA H 4.27 0.02 1 490 . 66 LEU CB C 42.2 0.2 1 491 . 66 LEU HB2 H 1.68 0.02 2 492 . 66 LEU HB3 H 1.54 0.02 2 493 . 66 LEU CG C 27.3 0.2 1 494 . 66 LEU HG H 1.55 0.02 1 495 . 66 LEU CD1 C 25.1 0.2 1 496 . 66 LEU HD1 H 0.87 0.02 1 497 . 66 LEU CD2 C 23.7 0.2 1 498 . 66 LEU HD2 H 0.87 0.02 1 499 . 66 LEU C C 177.6 0.2 1 500 . 67 GLN N N 120.9 0.1 1 501 . 67 GLN H H 8.24 0.02 1 502 . 67 GLN CA C 55.8 0.2 1 503 . 67 GLN HA H 4.31 0.02 1 504 . 67 GLN CB C 29.8 0.2 1 505 . 67 GLN HB2 H 2.08 0.02 2 506 . 67 GLN HB3 H 1.94 0.02 2 507 . 67 GLN CG C 33.9 0.2 1 508 . 67 GLN HG2 H 2.30 0.02 2 509 . 67 GLN HG3 H 2.17 0.02 2 510 . 67 GLN C C 175.7 0.2 1 511 . 68 ASP N N 122.0 0.1 1 512 . 68 ASP H H 8.30 0.02 1 513 . 68 ASP CA C 54.3 0.2 1 514 . 68 ASP HA H 4.53 0.02 1 515 . 68 ASP CB C 41.6 0.2 1 516 . 68 ASP HB2 H 2.58 0.02 2 517 . 68 ASP C C 175.8 0.2 1 518 . 69 ASN N N 119.9 0.1 1 519 . 69 ASN H H 8.52 0.02 1 520 . 69 ASN CA C 52.7 0.2 1 521 . 69 ASN HA H 4.68 0.02 1 522 . 69 ASN CB C 38.1 0.2 1 523 . 69 ASN HB2 H 2.92 0.02 2 524 . 69 ASN HB3 H 2.82 0.02 2 525 . 69 ASN ND2 N 110.3 0.1 1 526 . 69 ASN HD21 H 7.33 0.02 2 527 . 69 ASN HD22 H 6.62 0.02 2 528 . 69 ASN C C 173.8 0.2 1 529 . 70 LEU N N 121.7 0.1 1 530 . 70 LEU H H 7.90 0.02 1 531 . 70 LEU CA C 54.3 0.2 1 532 . 70 LEU HA H 5.20 0.02 1 533 . 70 LEU CB C 43.9 0.2 1 534 . 70 LEU HB2 H 1.67 0.02 2 535 . 70 LEU HB3 H 1.40 0.02 2 536 . 70 LEU CG C 27.2 0.2 1 537 . 70 LEU HG H 1.44 0.02 1 538 . 70 LEU CD1 C 25.2 0.2 1 539 . 70 LEU HD1 H 0.85 0.02 1 540 . 70 LEU CD2 C 24.1 0.2 1 541 . 70 LEU HD2 H 0.77 0.02 1 542 . 70 LEU C C 177.9 0.2 1 543 . 71 VAL N N 116.2 0.1 1 544 . 71 VAL H H 9.06 0.02 1 545 . 71 VAL CA C 58.8 0.2 1 546 . 71 VAL HA H 4.94 0.02 1 547 . 71 VAL CB C 36.5 0.2 1 548 . 71 VAL HB H 2.01 0.02 1 549 . 71 VAL CG1 C 21.8 0.2 1 550 . 71 VAL HG1 H 0.79 0.02 1 551 . 71 VAL CG2 C 19.4 0.2 1 552 . 71 VAL HG2 H 0.60 0.02 1 553 . 71 VAL C C 173.7 0.2 1 554 . 72 ILE N N 118.6 0.1 1 555 . 72 ILE H H 8.97 0.02 1 556 . 72 ILE CA C 58.4 0.2 1 557 . 72 ILE HA H 4.91 0.02 1 558 . 72 ILE CB C 41.5 0.2 1 559 . 72 ILE HB H 1.56 0.02 1 560 . 72 ILE CG2 C 17.1 0.2 1 561 . 72 ILE HG2 H 0.77 0.02 1 562 . 72 ILE CG1 C 28.2 0.2 1 563 . 72 ILE HG12 H 1.03 0.02 2 564 . 72 ILE HG13 H 1.35 0.02 2 565 . 72 ILE CD1 C 13.3 0.2 1 566 . 72 ILE HD1 H 0.81 0.02 1 567 . 72 ILE C C 175.8 0.2 1 568 . 73 ALA N N 126.5 0.1 1 569 . 73 ALA H H 8.56 0.02 1 570 . 73 ALA CA C 52.6 0.2 1 571 . 73 ALA HA H 4.55 0.02 1 572 . 73 ALA CB C 21.2 0.2 1 573 . 73 ALA HB H 1.67 0.02 1 574 . 73 ALA C C 179.5 0.2 1 575 . 74 LEU N N 126.9 0.1 1 576 . 74 LEU H H 9.45 0.02 1 577 . 74 LEU CA C 55.7 0.2 1 578 . 74 LEU HA H 4.03 0.02 1 579 . 74 LEU CB C 43.4 0.2 1 580 . 74 LEU HB2 H 1.23 0.02 2 581 . 74 LEU HB3 H 1.09 0.02 2 582 . 74 LEU CG C 27.0 0.2 1 583 . 74 LEU HG H 1.33 0.02 1 584 . 74 LEU CD1 C 25.4 0.2 1 585 . 74 LEU HD1 H 0.66 0.02 1 586 . 74 LEU CD2 C 22.1 0.2 1 587 . 74 LEU HD2 H 0.69 0.02 1 588 . 74 LEU C C 175.6 0.2 1 589 . 75 HIS N N 112.9 0.1 1 590 . 75 HIS H H 7.47 0.02 1 591 . 75 HIS CA C 53.4 0.2 1 592 . 75 HIS HA H 4.56 0.02 1 593 . 75 HIS CB C 33.9 0.2 1 594 . 75 HIS HB2 H 2.47 0.02 2 595 . 75 HIS HB3 H 2.93 0.02 2 596 . 75 HIS C C 173.3 0.2 1 597 . 76 SER N N 116.2 0.1 1 598 . 76 SER H H 8.75 0.02 1 599 . 76 SER CA C 58.6 0.2 1 600 . 76 SER HA H 4.65 0.02 1 601 . 76 SER CB C 64.0 0.2 1 602 . 76 SER HB2 H 4.09 0.02 2 603 . 76 SER HB3 H 3.91 0.02 2 604 . 76 SER C C 173.2 0.2 1 605 . 77 TYR N N 123.3 0.1 1 606 . 77 TYR H H 8.50 0.02 1 607 . 77 TYR CA C 57.6 0.2 1 608 . 77 TYR HA H 4.64 0.02 1 609 . 77 TYR CB C 42.4 0.2 1 610 . 77 TYR HB2 H 1.04 0.02 2 611 . 77 TYR HB3 H 2.27 0.02 2 612 . 77 TYR C C 173.7 0.2 1 613 . 78 GLU N N 129.3 0.1 1 614 . 78 GLU H H 7.61 0.02 1 615 . 78 GLU CA C 52.0 0.2 1 616 . 78 GLU HA H 4.51 0.02 1 617 . 78 GLU CB C 30.3 0.2 1 618 . 78 GLU HB2 H 1.70 0.02 2 619 . 78 GLU HB3 H 1.63 0.02 2 620 . 78 GLU CG C 35.9 0.2 1 621 . 78 GLU HG2 H 2.05 0.02 2 622 . 79 PRO CD C 50.4 0.2 1 623 . 79 PRO CA C 63.4 0.2 1 624 . 79 PRO HA H 3.97 0.02 1 625 . 79 PRO CB C 33.2 0.2 1 626 . 79 PRO HB2 H 1.99 0.02 2 627 . 79 PRO CG C 27.5 0.2 1 628 . 79 PRO HG2 H 1.80 0.02 2 629 . 79 PRO HD2 H 3.53 0.02 2 630 . 79 PRO C C 177.0 0.2 1 631 . 80 SER N N 116.6 0.1 1 632 . 80 SER H H 8.62 0.02 1 633 . 80 SER CA C 58.5 0.2 1 634 . 80 SER HA H 4.39 0.02 1 635 . 80 SER CB C 64.7 0.2 1 636 . 80 SER HB2 H 3.57 0.02 2 637 . 80 SER HB3 H 3.69 0.02 2 638 . 80 SER C C 173.4 0.2 1 639 . 81 HIS N N 118.7 0.1 1 640 . 81 HIS H H 7.79 0.02 1 641 . 81 HIS CA C 53.8 0.2 1 642 . 81 HIS HA H 4.72 0.02 1 643 . 81 HIS CB C 30.5 0.2 1 644 . 81 HIS HB2 H 2.83 0.02 2 645 . 81 HIS HB3 H 3.13 0.02 2 646 . 81 HIS C C 174.7 0.2 1 647 . 82 ASP N N 124.1 0.1 1 648 . 82 ASP H H 8.76 0.02 1 649 . 82 ASP CA C 56.4 0.2 1 650 . 82 ASP HA H 4.41 0.02 1 651 . 82 ASP CB C 40.5 0.2 1 652 . 82 ASP HB2 H 2.56 0.02 2 653 . 82 ASP HB3 H 2.60 0.02 2 654 . 82 ASP C C 177.4 0.2 1 655 . 83 GLY N N 113.1 0.1 1 656 . 83 GLY H H 8.91 0.02 1 657 . 83 GLY CA C 45.4 0.2 1 658 . 83 GLY HA3 H 4.38 0.02 2 659 . 83 GLY HA2 H 3.93 0.02 2 660 . 83 GLY C C 175.2 0.2 1 661 . 84 ASP N N 122.3 0.1 1 662 . 84 ASP H H 8.00 0.02 1 663 . 84 ASP CA C 54.6 0.2 1 664 . 84 ASP HA H 5.34 0.02 1 665 . 84 ASP CB C 43.1 0.2 1 666 . 84 ASP HB2 H 2.92 0.02 2 667 . 84 ASP HB3 H 3.00 0.02 2 668 . 84 ASP C C 175.8 0.2 1 669 . 85 LEU N N 125.9 0.1 1 670 . 85 LEU H H 9.11 0.02 1 671 . 85 LEU CA C 54.1 0.2 1 672 . 85 LEU HA H 4.54 0.02 1 673 . 85 LEU CB C 44.8 0.2 1 674 . 85 LEU HB2 H 1.76 0.02 2 675 . 85 LEU HB3 H 0.74 0.02 2 676 . 85 LEU CG C 26.8 0.2 1 677 . 85 LEU HG H 1.77 0.02 1 678 . 85 LEU CD1 C 24.5 0.2 1 679 . 85 LEU HD1 H 0.80 0.02 1 680 . 85 LEU CD2 C 26.6 0.2 1 681 . 85 LEU HD2 H 0.66 0.02 1 682 . 85 LEU C C 174.7 0.2 1 683 . 86 GLY N N 109.7 0.1 1 684 . 86 GLY H H 8.19 0.02 1 685 . 86 GLY CA C 44.8 0.2 1 686 . 86 GLY HA3 H 4.37 0.02 2 687 . 86 GLY HA2 H 3.57 0.02 2 688 . 86 GLY C C 173.4 0.2 1 689 . 87 PHE N N 113.9 0.1 1 690 . 87 PHE H H 7.89 0.02 1 691 . 87 PHE CA C 56.3 0.2 1 692 . 87 PHE HA H 5.02 0.02 1 693 . 87 PHE CB C 40.3 0.2 1 694 . 87 PHE HB2 H 2.90 0.02 2 695 . 87 PHE HB3 H 3.28 0.02 2 696 . 87 PHE C C 174.2 0.2 1 697 . 88 GLU N N 120.0 0.1 1 698 . 88 GLU H H 9.00 0.02 1 699 . 88 GLU CA C 53.9 0.2 1 700 . 88 GLU HA H 4.76 0.02 1 701 . 88 GLU CB C 32.9 0.2 1 702 . 88 GLU HB2 H 1.94 0.02 2 703 . 88 GLU HB3 H 2.11 0.02 2 704 . 88 GLU CG C 36.5 0.2 1 705 . 88 GLU HG2 H 2.33 0.02 2 706 . 88 GLU C C 176.0 0.2 1 707 . 89 LYS N N 122.5 0.1 1 708 . 89 LYS H H 8.35 0.02 1 709 . 89 LYS CA C 59.1 0.2 1 710 . 89 LYS HA H 3.36 0.02 1 711 . 89 LYS CB C 32.7 0.2 1 712 . 89 LYS HB2 H 1.64 0.02 2 713 . 89 LYS HB3 H 1.70 0.02 2 714 . 89 LYS CG C 24.8 0.2 1 715 . 89 LYS HG2 H 1.18 0.02 2 716 . 89 LYS HG3 H 1.07 0.02 2 717 . 89 LYS CD C 29.7 0.2 1 718 . 89 LYS HD2 H 1.65 0.02 2 719 . 89 LYS HD3 H 1.62 0.02 2 720 . 89 LYS CE C 42.3 0.2 1 721 . 89 LYS HE2 H 2.96 0.02 2 722 . 89 LYS C C 177.4 0.2 1 723 . 90 GLY N N 115.6 0.1 1 724 . 90 GLY H H 8.85 0.02 1 725 . 90 GLY CA C 45.1 0.2 1 726 . 90 GLY HA3 H 3.49 0.02 2 727 . 90 GLY HA2 H 4.37 0.02 2 728 . 90 GLY C C 173.4 0.2 1 729 . 91 GLU N N 122.9 0.1 1 730 . 91 GLU H H 8.13 0.02 1 731 . 91 GLU CA C 57.9 0.2 1 732 . 91 GLU HA H 4.18 0.02 1 733 . 91 GLU CB C 32.0 0.2 1 734 . 91 GLU HB2 H 2.11 0.02 2 735 . 91 GLU HB3 H 2.26 0.02 2 736 . 91 GLU CG C 37.1 0.2 1 737 . 91 GLU HG2 H 2.48 0.02 2 738 . 91 GLU HG3 H 2.38 0.02 2 739 . 91 GLU C C 175.4 0.2 1 740 . 92 GLN N N 122.1 0.1 1 741 . 92 GLN H H 8.43 0.02 1 742 . 92 GLN CA C 55.1 0.2 1 743 . 92 GLN HA H 5.23 0.02 1 744 . 92 GLN CB C 31.0 0.2 1 745 . 92 GLN HB2 H 2.08 0.02 2 746 . 92 GLN HB3 H 1.98 0.02 2 747 . 92 GLN CG C 35.1 0.2 1 748 . 92 GLN HG2 H 2.46 0.02 2 749 . 92 GLN HG3 H 2.07 0.02 2 750 . 92 GLN NE2 N 110.5 0.1 1 751 . 92 GLN HE21 H 7.13 0.02 2 752 . 92 GLN HE22 H 6.72 0.02 2 753 . 92 GLN C C 175.4 0.2 1 754 . 93 LEU N N 122.7 0.1 1 755 . 93 LEU H H 8.78 0.02 1 756 . 93 LEU CA C 53.5 0.2 1 757 . 93 LEU HA H 5.03 0.02 1 758 . 93 LEU CB C 46.1 0.2 1 759 . 93 LEU HB2 H 1.18 0.02 2 760 . 93 LEU HB3 H 1.09 0.02 2 761 . 93 LEU CG C 27.3 0.2 1 762 . 93 LEU HG H 1.35 0.02 1 763 . 93 LEU CD1 C 25.9 0.2 1 764 . 93 LEU HD1 H 0.05 0.02 1 765 . 93 LEU CD2 C 25.1 0.2 1 766 . 93 LEU HD2 H 0.64 0.02 1 767 . 93 LEU C C 174.6 0.2 1 768 . 94 ARG N N 120.4 0.1 1 769 . 94 ARG H H 8.76 0.02 1 770 . 94 ARG CA C 54.3 0.2 1 771 . 94 ARG HA H 5.00 0.02 1 772 . 94 ARG CB C 32.9 0.2 1 773 . 94 ARG HB2 H 1.61 0.02 2 774 . 94 ARG HB3 H 1.68 0.02 2 775 . 94 ARG CG C 28.3 0.2 1 776 . 94 ARG HG2 H 1.46 0.02 2 777 . 94 ARG HG3 H 1.28 0.02 2 778 . 94 ARG CD C 43.3 0.2 1 779 . 94 ARG HD2 H 3.16 0.02 2 780 . 94 ARG C C 176.0 0.2 1 781 . 95 ILE N N 125.0 0.1 1 782 . 95 ILE H H 8.96 0.02 1 783 . 95 ILE CA C 59.0 0.2 1 784 . 95 ILE HA H 4.25 0.02 1 785 . 95 ILE CB C 35.7 0.2 1 786 . 95 ILE HB H 1.97 0.02 1 787 . 95 ILE CG2 C 18.7 0.2 1 788 . 95 ILE HG2 H 0.55 0.02 1 789 . 95 ILE CG1 C 26.9 0.2 1 790 . 95 ILE HG12 H 1.57 0.02 2 791 . 95 ILE HG13 H 1.26 0.02 2 792 . 95 ILE CD1 C 10.7 0.2 1 793 . 95 ILE HD1 H 0.75 0.02 1 794 . 95 ILE C C 175.9 0.2 1 795 . 96 LEU N N 128.7 0.1 1 796 . 96 LEU H H 9.23 0.02 1 797 . 96 LEU CA C 55.6 0.2 1 798 . 96 LEU HA H 4.35 0.02 1 799 . 96 LEU CB C 43.1 0.2 1 800 . 96 LEU HB2 H 1.24 0.02 2 801 . 96 LEU HB3 H 1.57 0.02 2 802 . 96 LEU CG C 27.6 0.2 1 803 . 96 LEU HG H 1.46 0.02 1 804 . 96 LEU CD1 C 25.6 0.2 1 805 . 96 LEU HD1 H 0.68 0.02 1 806 . 96 LEU C C 177.4 0.2 1 807 . 97 GLU N N 117.8 0.1 1 808 . 97 GLU H H 7.68 0.02 1 809 . 97 GLU CA C 56.5 0.2 1 810 . 97 GLU HA H 4.30 0.02 1 811 . 97 GLU CB C 33.6 0.2 1 812 . 97 GLU HB2 H 2.02 0.02 2 813 . 97 GLU HB3 H 1.90 0.02 2 814 . 97 GLU CG C 36.4 0.2 1 815 . 97 GLU HG2 H 2.22 0.02 2 816 . 97 GLU HG3 H 2.12 0.02 2 817 . 97 GLU C C 174.3 0.2 1 818 . 98 GLN N N 125.0 0.1 1 819 . 98 GLN H H 8.59 0.02 1 820 . 98 GLN CA C 53.6 0.2 1 821 . 98 GLN HA H 3.59 0.02 1 822 . 98 GLN CB C 29.0 0.2 1 823 . 98 GLN HB2 H 1.14 0.02 2 824 . 98 GLN HB3 H 0.98 0.02 2 825 . 98 GLN CG C 33.5 0.2 1 826 . 98 GLN HG2 H 0.97 0.02 2 827 . 98 GLN HG3 H 0.80 0.02 2 828 . 98 GLN NE2 N 110.6 0.1 1 829 . 98 GLN HE21 H 6.52 0.02 2 830 . 98 GLN HE22 H 5.91 0.02 2 831 . 98 GLN C C 174.7 0.2 1 832 . 99 SER N N 117.9 0.1 1 833 . 99 SER H H 8.19 0.02 1 834 . 99 SER CA C 57.1 0.2 1 835 . 99 SER HA H 4.59 0.02 1 836 . 99 SER CB C 63.9 0.2 1 837 . 99 SER HB3 H 3.85 0.02 2 838 . 99 SER C C 174.6 0.2 1 839 . 100 GLY N N 112.3 0.1 1 840 . 100 GLY H H 8.49 0.02 1 841 . 100 GLY CA C 46.1 0.2 1 842 . 100 GLY HA3 H 4.08 0.02 2 843 . 100 GLY HA2 H 3.76 0.02 2 844 . 100 GLY C C 174.3 0.2 1 845 . 101 GLU N N 120.9 0.1 1 846 . 101 GLU H H 8.64 0.02 1 847 . 101 GLU CA C 56.8 0.2 1 848 . 101 GLU HA H 3.78 0.02 1 849 . 101 GLU CB C 30.3 0.2 1 850 . 101 GLU HB2 H 1.72 0.02 2 851 . 101 GLU HB3 H 1.87 0.02 2 852 . 101 GLU CG C 36.8 0.2 1 853 . 101 GLU HG2 H 1.95 0.02 2 854 . 101 GLU HG3 H 1.85 0.02 2 855 . 101 GLU C C 175.7 0.2 1 856 . 102 TRP N N 121.1 0.1 1 857 . 102 TRP H H 7.76 0.02 1 858 . 102 TRP CA C 55.6 0.2 1 859 . 102 TRP HA H 5.24 0.02 1 860 . 102 TRP CB C 30.2 0.2 1 861 . 102 TRP HB3 H 2.94 0.02 2 862 . 102 TRP NE1 N 129.0 0.1 1 863 . 102 TRP HE1 H 9.96 0.02 1 864 . 102 TRP C C 175.7 0.2 1 865 . 103 TRP N N 126.1 0.1 1 866 . 103 TRP H H 9.02 0.02 1 867 . 103 TRP CA C 54.2 0.2 1 868 . 103 TRP HA H 5.45 0.02 1 869 . 103 TRP CB C 31.0 0.2 1 870 . 103 TRP HB2 H 3.33 0.02 2 871 . 103 TRP HB3 H 2.97 0.02 2 872 . 103 TRP NE1 N 128.7 0.1 1 873 . 103 TRP HE1 H 9.53 0.02 1 874 . 103 TRP C C 175.9 0.2 1 875 . 104 LYS N N 123.9 0.1 1 876 . 104 LYS H H 8.72 0.02 1 877 . 104 LYS CA C 56.3 0.2 1 878 . 104 LYS HA H 4.43 0.02 1 879 . 104 LYS CB C 34.2 0.2 1 880 . 104 LYS HB2 H 1.57 0.02 2 881 . 104 LYS HB3 H 1.67 0.02 2 882 . 104 LYS CG C 29.0 0.2 1 883 . 104 LYS HG2 H 1.34 0.02 2 884 . 104 LYS CD C 25.6 0.2 1 885 . 104 LYS HD2 H 1.09 0.02 2 886 . 104 LYS HD3 H 0.76 0.02 2 887 . 104 LYS C C 175.1 0.2 1 888 . 105 ALA N N 123.7 0.1 1 889 . 105 ALA H H 9.43 0.02 1 890 . 105 ALA CA C 50.5 0.2 1 891 . 105 ALA HA H 5.45 0.02 1 892 . 105 ALA CB C 25.9 0.2 1 893 . 105 ALA HB H 1.22 0.02 1 894 . 105 ALA C C 174.1 0.2 1 895 . 106 GLN N N 117.7 0.1 1 896 . 106 GLN H H 8.98 0.02 1 897 . 106 GLN CA C 53.4 0.2 1 898 . 106 GLN HA H 5.27 0.02 1 899 . 106 GLN CB C 33.9 0.2 1 900 . 106 GLN HB2 H 1.85 0.02 2 901 . 106 GLN HB3 H 1.83 0.02 2 902 . 106 GLN CG C 37.3 0.2 1 903 . 106 GLN HG2 H 2.13 0.02 2 904 . 106 GLN NE2 N 112.2 0.1 1 905 . 106 GLN HE21 H 7.69 0.02 2 906 . 106 GLN HE22 H 6.75 0.02 2 907 . 106 GLN C C 175.8 0.2 1 908 . 107 SER N N 119.3 0.1 1 909 . 107 SER H H 8.78 0.02 1 910 . 107 SER CA C 57.9 0.2 1 911 . 107 SER HA H 4.69 0.02 1 912 . 107 SER CB C 63.5 0.2 1 913 . 107 SER HB2 H 4.04 0.02 2 914 . 107 SER HB3 H 4.21 0.02 2 915 . 107 SER C C 177.9 0.2 1 916 . 108 LEU N N 128.8 0.1 1 917 . 108 LEU H H 8.88 0.02 1 918 . 108 LEU CA C 57.3 0.2 1 919 . 108 LEU HA H 4.30 0.02 1 920 . 108 LEU CB C 41.1 0.2 1 921 . 108 LEU HB2 H 1.73 0.02 2 922 . 108 LEU CG C 29.1 0.2 1 923 . 108 LEU CD1 C 23.9 0.2 1 924 . 108 LEU HD1 H 0.82 0.02 1 925 . 108 LEU CD2 C 25.5 0.2 1 926 . 108 LEU C C 178.4 0.2 1 927 . 109 THR N N 114.1 0.1 1 928 . 109 THR H H 8.49 0.02 1 929 . 109 THR CA C 64.9 0.2 1 930 . 109 THR HA H 4.28 0.02 1 931 . 109 THR CB C 69.4 0.2 1 932 . 109 THR HB H 4.09 0.02 1 933 . 109 THR CG2 C 22.5 0.2 1 934 . 109 THR HG2 H 1.27 0.02 1 935 . 109 THR C C 176.7 0.2 1 936 . 110 THR N N 108.6 0.1 1 937 . 110 THR H H 8.14 0.02 1 938 . 110 THR CA C 61.8 0.2 1 939 . 110 THR HA H 4.34 0.02 1 940 . 110 THR CB C 71.4 0.2 1 941 . 110 THR HB H 4.48 0.02 1 942 . 110 THR CG2 C 21.4 0.2 1 943 . 110 THR HG2 H 1.26 0.02 1 944 . 110 THR C C 177.0 0.2 1 945 . 111 GLY N N 110.6 0.1 1 946 . 111 GLY H H 7.67 0.02 1 947 . 111 GLY CA C 45.9 0.2 1 948 . 111 GLY HA3 H 4.26 0.02 2 949 . 111 GLY HA2 H 3.82 0.02 2 950 . 111 GLY C C 174.1 0.2 1 951 . 112 GLN N N 121.0 0.1 1 952 . 112 GLN H H 7.93 0.02 1 953 . 112 GLN CA C 56.6 0.2 1 954 . 112 GLN HA H 4.22 0.02 1 955 . 112 GLN CB C 29.6 0.2 1 956 . 112 GLN HB2 H 1.93 0.02 2 957 . 112 GLN HB3 H 2.05 0.02 2 958 . 112 GLN CG C 34.3 0.2 1 959 . 112 GLN HG2 H 2.41 0.02 2 960 . 112 GLN NE2 N 112.5 0.1 1 961 . 112 GLN HE21 H 7.57 0.02 2 962 . 112 GLN HE22 H 6.96 0.02 2 963 . 112 GLN C C 174.3 0.2 1 964 . 113 GLU N N 120.1 0.1 1 965 . 113 GLU H H 8.55 0.02 1 966 . 113 GLU CA C 53.9 0.2 1 967 . 113 GLU HA H 5.70 0.02 1 968 . 113 GLU CB C 34.3 0.2 1 969 . 113 GLU HB2 H 1.87 0.02 2 970 . 113 GLU HB3 H 1.81 0.02 2 971 . 113 GLU CG C 36.6 0.2 1 972 . 113 GLU HG2 H 2.01 0.02 2 973 . 113 GLU HG3 H 2.24 0.02 2 974 . 113 GLU C C 176.9 0.2 1 975 . 114 GLY N N 107.6 0.1 1 976 . 114 GLY H H 8.74 0.02 1 977 . 114 GLY CA C 45.7 0.2 1 978 . 114 GLY HA3 H 4.10 0.02 2 979 . 114 GLY HA2 H 3.93 0.02 2 980 . 115 PHE N N 119.5 0.1 1 981 . 115 PHE H H 8.72 0.02 1 982 . 115 PHE CA C 58.9 0.2 1 983 . 115 PHE HA H 5.67 0.02 1 984 . 115 PHE CB C 41.5 0.2 1 985 . 115 PHE HB2 H 3.16 0.02 2 986 . 115 PHE HB3 H 2.98 0.02 2 987 . 115 PHE C C 174.0 0.2 1 988 . 116 ILE N N 113.8 0.1 1 989 . 116 ILE H H 9.51 0.02 1 990 . 116 ILE CA C 57.5 0.2 1 991 . 116 ILE HA H 5.19 0.02 1 992 . 116 ILE CB C 40.7 0.2 1 993 . 116 ILE HB H 1.68 0.02 1 994 . 116 ILE CG2 C 21.4 0.2 1 995 . 116 ILE HG2 H 1.13 0.02 1 996 . 116 ILE CG1 C 25.7 0.2 1 997 . 116 ILE HG12 H 1.42 0.02 2 998 . 116 ILE HG13 H 1.01 0.02 2 999 . 116 ILE CD1 C 15.8 0.2 1 1000 . 116 ILE HD1 H 0.47 0.02 1 1001 . 117 PRO CD C 49.9 0.2 1 1002 . 117 PRO CA C 61.7 0.2 1 1003 . 117 PRO HA H 3.66 0.02 1 1004 . 117 PRO CB C 30.5 0.2 1 1005 . 117 PRO HB2 H 1.14 0.02 2 1006 . 117 PRO HB3 H 1.23 0.02 2 1007 . 117 PRO CG C 27.1 0.2 1 1008 . 117 PRO HG2 H 0.60 0.02 2 1009 . 117 PRO HD2 H 2.81 0.02 2 1010 . 117 PRO C C 179.9 0.2 1 1011 . 118 PHE N N 123.7 0.1 1 1012 . 118 PHE H H 7.53 0.02 1 1013 . 118 PHE CA C 59.6 0.2 1 1014 . 118 PHE HA H 2.84 0.02 1 1015 . 118 PHE CB C 35.7 0.2 1 1016 . 118 PHE HB2 H 1.08 0.02 2 1017 . 118 PHE HB3 H 1.49 0.02 2 1018 . 118 PHE C C 174.1 0.2 1 1019 . 119 ASN N N 113.6 0.1 1 1020 . 119 ASN H H 7.23 0.02 1 1021 . 119 ASN CA C 52.3 0.2 1 1022 . 119 ASN HA H 3.98 0.02 1 1023 . 119 ASN CB C 35.8 0.2 1 1024 . 119 ASN HB2 H 1.43 0.02 2 1025 . 119 ASN HB3 H 2.52 0.02 2 1026 . 119 ASN ND2 N 111.8 0.1 1 1027 . 119 ASN HD21 H 7.31 0.02 2 1028 . 119 ASN HD22 H 6.53 0.02 2 1029 . 119 ASN C C 176.0 0.2 1 1030 . 120 PHE N N 120.0 0.1 1 1031 . 120 PHE H H 7.66 0.02 1 1032 . 120 PHE CA C 58.2 0.2 1 1033 . 120 PHE HA H 4.49 0.02 1 1034 . 120 PHE CB C 39.5 0.2 1 1035 . 120 PHE HB2 H 3.25 0.02 2 1036 . 120 PHE HB3 H 3.63 0.02 2 1037 . 120 PHE C C 174.7 0.2 1 1038 . 121 VAL N N 109.1 0.1 1 1039 . 121 VAL H H 7.02 0.02 1 1040 . 121 VAL CA C 58.5 0.2 1 1041 . 121 VAL HA H 5.26 0.02 1 1042 . 121 VAL CB C 35.9 0.2 1 1043 . 121 VAL HB H 1.77 0.02 1 1044 . 121 VAL CG1 C 22.0 0.2 1 1045 . 121 VAL HG1 H 0.38 0.02 1 1046 . 121 VAL CG2 C 17.9 0.2 1 1047 . 121 VAL HG2 H 0.69 0.02 1 1048 . 121 VAL C C 173.8 0.2 1 1049 . 122 ALA N N 121.9 0.1 1 1050 . 122 ALA H H 8.58 0.02 1 1051 . 122 ALA CA C 50.9 0.2 1 1052 . 122 ALA HA H 4.71 0.02 1 1053 . 122 ALA CB C 23.2 0.2 1 1054 . 122 ALA HB H 1.36 0.02 1 1055 . 122 ALA C C 176.4 0.2 1 1056 . 123 LYS N N 120.9 0.1 1 1057 . 123 LYS H H 8.62 0.02 1 1058 . 123 LYS CA C 57.7 0.2 1 1059 . 123 LYS HA H 4.27 0.02 1 1060 . 123 LYS CB C 33.0 0.2 1 1061 . 123 LYS HB2 H 1.89 0.02 2 1062 . 123 LYS CG C 29.3 0.2 1 1063 . 123 LYS HG2 H 1.81 0.02 2 1064 . 123 LYS CD C 25.0 0.2 1 1065 . 123 LYS HD2 H 1.57 0.02 2 1066 . 124 ALA N N 126.7 0.1 1 1067 . 124 ALA H H 8.37 0.02 1 1068 . 124 ALA CA C 52.7 0.2 1 1069 . 124 ALA HA H 4.26 0.02 1 1070 . 124 ALA CB C 19.7 0.2 1 1071 . 124 ALA HB H 1.25 0.02 1 1072 . 124 ALA C C 176.4 0.2 1 1073 . 125 ASN N N 123.3 0.1 1 1074 . 125 ASN H H 7.92 0.02 1 1075 . 125 ASN CA C 54.7 0.2 1 1076 . 125 ASN CB C 40.6 0.2 1 stop_ save_