data_7219 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Data for the Human Ubiquitin-Conjugating Enzyme Variant hUev1a ; _BMRB_accession_number 7219 _BMRB_flat_file_name bmr7219.str _Entry_type original _Submission_date 2006-07-10 _Accession_date 2006-07-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hau David D. . 2 Lewis Michael J. . 3 Saltibus Linda F. . 4 Spyracopoulos Leo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 T1_relaxation 2 T2_relaxation 2 S2_parameters 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 957 "13C chemical shifts" 599 "15N chemical shifts" 170 "coupling constants" 56 "T1 relaxation values" 248 "T2 relaxation values" 249 "order parameters" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-10-19 original author . stop_ _Original_release_date 2006-10-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; D. Duong Hau, Michael J. Lewis, Linda F. Saltibus, Landon Pastushok, Wei Xiao, and Leo Spyracopoulos. Structure and Interactions of the Ubiquitin-Conjugating Enzyme Variant Human Uev1: Implications fro Enzymatic Synthesis of Polyubiquitin Chains. Biochemistry, in the press, 2006. ; _Citation_title ; Structure and interactions of the ubiquitin-conjugating enzyme variant human Uev1a: implications for enzymatic synthesis of polyubiquitin chains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16893187 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hau David D. . 2 Lewis Michael J. . 3 Saltibus Linda F. . 4 Pastushok Landon . . 5 Xiao Wei . . 6 Spyracopoulos Leo . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 45 _Journal_issue 32 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9866 _Page_last 9877 _Year 2006 _Details . loop_ _Keyword hUev1a ubiquitination 'ubiquitin-conjugating enzyme variant' uev uev1a stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hUev1a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hUev1a $hUev1a stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hUev1a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hUev1a _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'K63-linked polyubiquitin chain formation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; MPGEVQASYLKSQSKLSDEG RLEPRKFHCKGVKVPRNFRL LEELEEGQKGVGDGTVSWGL EDDEDMTLTRWTGMIIGPPR TIYENRIYSLKIECGPKYPE APPFVRFVTKINMNGVNSSN GVVDPRAISVLAKWQNSYSI KVVLQELRRLMMSKENMKLP QPPEGQCYSN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 GLY 4 GLU 5 VAL 6 GLN 7 ALA 8 SER 9 TYR 10 LEU 11 LYS 12 SER 13 GLN 14 SER 15 LYS 16 LEU 17 SER 18 ASP 19 GLU 20 GLY 21 ARG 22 LEU 23 GLU 24 PRO 25 ARG 26 LYS 27 PHE 28 HIS 29 CYS 30 LYS 31 GLY 32 VAL 33 LYS 34 VAL 35 PRO 36 ARG 37 ASN 38 PHE 39 ARG 40 LEU 41 LEU 42 GLU 43 GLU 44 LEU 45 GLU 46 GLU 47 GLY 48 GLN 49 LYS 50 GLY 51 VAL 52 GLY 53 ASP 54 GLY 55 THR 56 VAL 57 SER 58 TRP 59 GLY 60 LEU 61 GLU 62 ASP 63 ASP 64 GLU 65 ASP 66 MET 67 THR 68 LEU 69 THR 70 ARG 71 TRP 72 THR 73 GLY 74 MET 75 ILE 76 ILE 77 GLY 78 PRO 79 PRO 80 ARG 81 THR 82 ILE 83 TYR 84 GLU 85 ASN 86 ARG 87 ILE 88 TYR 89 SER 90 LEU 91 LYS 92 ILE 93 GLU 94 CYS 95 GLY 96 PRO 97 LYS 98 TYR 99 PRO 100 GLU 101 ALA 102 PRO 103 PRO 104 PHE 105 VAL 106 ARG 107 PHE 108 VAL 109 THR 110 LYS 111 ILE 112 ASN 113 MET 114 ASN 115 GLY 116 VAL 117 ASN 118 SER 119 SER 120 ASN 121 GLY 122 VAL 123 VAL 124 ASP 125 PRO 126 ARG 127 ALA 128 ILE 129 SER 130 VAL 131 LEU 132 ALA 133 LYS 134 TRP 135 GLN 136 ASN 137 SER 138 TYR 139 SER 140 ILE 141 LYS 142 VAL 143 VAL 144 LEU 145 GLN 146 GLU 147 LEU 148 ARG 149 ARG 150 LEU 151 MET 152 MET 153 SER 154 LYS 155 GLU 156 ASN 157 MET 158 LYS 159 LEU 160 PRO 161 GLN 162 PRO 163 PRO 164 GLU 165 GLY 166 GLN 167 CYS 168 TYR 169 SER 170 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2A4D "Structure Of The Human Ubiquitin-Conjugating Enzyme E2 Variant 1 (Uev- 1)" 82.35 160 100.00 100.00 1.14e-97 PDB 2C2V "Crystal Structure Of The Chip-Ubc13-Uev1a Complex" 82.35 142 99.29 100.00 8.98e-97 PDB 2HLW "Solution Structure Of The Human Ubiquitin-Conjugating Enzyme Variant Uev1a" 100.00 170 100.00 100.00 4.80e-121 DBJ BAK63082 "ubiquitin-conjugating enzyme E2 variant 1 [Pan troglodytes]" 82.35 147 99.29 100.00 7.57e-97 EMBL CAH92507 "hypothetical protein [Pongo abelii]" 60.59 110 100.00 100.00 6.19e-68 EMBL CAH93170 "hypothetical protein [Pongo abelii]" 82.35 147 99.29 99.29 5.83e-96 GB AAB04629 "CROC-1B, partial [Gallus gallus]" 82.35 146 99.29 100.00 5.88e-97 GB AAB72015 "DNA-binding protein [Homo sapiens]" 100.00 170 97.65 97.65 9.06e-118 GB AAC02755 "UEV1Bs [Homo sapiens]" 84.12 151 97.90 98.60 6.44e-97 GB AAG24229 "TRAF6-regulated IKK activator 1 beta Uev1A [Homo sapiens]" 100.00 170 100.00 100.00 4.80e-121 GB AAH00468 "Ubiquitin-conjugating enzyme E2 variant 1 [Homo sapiens]" 82.35 147 100.00 100.00 1.85e-97 REF NP_001027459 "ubiquitin-conjugating enzyme E2 variant 1 isoform d [Homo sapiens]" 82.35 147 100.00 100.00 1.85e-97 REF NP_001030574 "ubiquitin-conjugating enzyme E2 variant 1 [Bos taurus]" 82.35 147 100.00 100.00 1.85e-97 REF NP_001128950 "ubiquitin-conjugating enzyme E2 variant 1 [Pongo abelii]" 82.35 147 100.00 100.00 1.85e-97 REF NP_001192006 "ubiquitin-conjugating enzyme E2 variant 1 [Pan troglodytes]" 82.35 147 100.00 100.00 1.85e-97 REF NP_001192013 "ubiquitin-conjugating enzyme E2 variant 1 [Macaca mulatta]" 82.35 147 100.00 100.00 1.85e-97 SP Q13404 "RecName: Full=Ubiquitin-conjugating enzyme E2 variant 1; Short=UEV-1; AltName: Full=CROC-1; AltName: Full=TRAF6-regulated IKK a" 82.35 147 100.00 100.00 1.85e-97 SP Q3SZ52 "RecName: Full=Ubiquitin-conjugating enzyme E2 variant 1; Short=UEV-1 [Bos taurus]" 82.35 147 100.00 100.00 1.85e-97 SP Q5R4Z6 "RecName: Full=Ubiquitin-conjugating enzyme E2 variant 1; Short=UEV-1 [Pongo abelii]" 82.35 147 99.29 99.29 5.83e-96 SP Q90879 "RecName: Full=Ubiquitin-conjugating enzyme E2 variant 1; Short=UEV-1; AltName: Full=CROC-1B [Gallus gallus]" 82.35 145 99.29 100.00 5.33e-97 TPG DAA23316 "TPA: ubiquitin-conjugating enzyme E2 variant 1 [Bos taurus]" 82.35 147 100.00 100.00 1.85e-97 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hUev1a 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 _Variant _Vector_type _Vector_name $hUev1a 'recombinant technology' 'E. coli' Esherichia coli BL21 RIPL plasmid pGEX-6P 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 $hUev1a 1 mM '[U-15N; U-13C]' NaH2PO4 50 mM . NaCl 250 mM . DTT 0.9 mM . DSS 1.7 mM . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hUev1a 0.75 mM '[U-15N; U-10% 13C]' NaH2PO4 50 mM . NaCl 250 mM . DTT 0.9 mM . DSS 1.7 mM . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hUev1a 0.5 mM [U-15N] NaH2PO4 50 mM . NaCl 250 mM . DTT 0.9 mM . DSS 1.7 mM . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_vnmr _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian ; Varian, Inc. Corporate Headquarters 3120 Hansen Way Palo Alto, CA 94304-1030 USA ; . stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details 'Delaglio, F.' save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 _Details 'Goddard, T.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity INOVA' _Field_strength 600 _Details . save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity INOVA' _Field_strength 500 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity INOVA' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separate_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separate_NOESY _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label . save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_MQ-(H)CCmHm-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name MQ-(H)CCmHm-TOCSY _Sample_label . save_ save_H(CC)(CO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)(CO)NH-TOCSY _Sample_label . save_ save_(H)-CC(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H)-CC(CO)NH-TOCSY _Sample_label . save_ save_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HNHB_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_(HB)CB(CGCD)HD_13 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label . save_ save_(HB)CB(CGCDCE)HE_14 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label . save_ save_(H)CCH-TROSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-TROSY _Sample_label . save_ save_aromatic_2D_1H_13C_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'aromatic 2D 1H 13C HSQC' _Sample_label . save_ save_2D_1H_13C_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H 13C HSQC' _Sample_label . save_ save_3D_13C-separate_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separate NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNHA _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_MQ-(H)CCmHm-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name MQ-(H)CCmHm-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(CC)(CO)NH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_(H)-CC(CO)NH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name (H)-CC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNHB _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_(HB)CB(CGCD)HD _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _BMRB_pulse_sequence_accession_number . _Details . save_ save_(HB)CB(CGCDCE)HE _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _BMRB_pulse_sequence_accession_number . _Details . save_ save_(H)CCH-TROSY _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-TROSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_aromatic_2D_1H_13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 'aromatic 2D 1H 13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_1H_13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H 13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 pH pressure 1 0.1 atm temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name hUev1a _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.857 . 1 2 1 1 MET HB2 H 1.981 . 2 3 1 1 MET HB3 H 2.090 . 2 4 1 1 MET HG2 H 2.656 . 2 5 1 1 MET HG3 H 2.579 . 2 6 1 1 MET CA C 53.399 . 1 7 1 1 MET CB C 32.433 . 1 8 1 1 MET CG C 32.178 . 1 9 1 1 MET N N 123.213 . 1 10 2 2 PRO HA H 4.419 . 1 11 2 2 PRO HB2 H 1.940 . 2 12 2 2 PRO HB3 H 2.329 . 2 13 2 2 PRO HG2 H 2.032 . 2 14 2 2 PRO HG3 H 2.090 . 2 15 2 2 PRO HD2 H 3.721 . 2 16 2 2 PRO HD3 H 3.870 . 2 17 2 2 PRO C C 177.566 . 1 18 2 2 PRO CA C 63.758 . 1 19 2 2 PRO CB C 32.152 . 1 20 2 2 PRO CG C 27.471 . 1 21 2 2 PRO CD C 50.781 . 1 22 3 3 GLY H H 8.518 . 1 23 3 3 GLY HA2 H 3.956 . 2 24 3 3 GLY C C 174.323 . 1 25 3 3 GLY CA C 45.472 . 1 26 3 3 GLY N N 109.460 . 1 27 4 4 GLU H H 8.093 . 1 28 4 4 GLU HA H 4.314 . 1 29 4 4 GLU HB2 H 1.993 . 2 30 4 4 GLU HB3 H 2.033 . 2 31 4 4 GLU HG2 H 2.228 . 2 32 4 4 GLU HG3 H 2.265 . 2 33 4 4 GLU C C 176.844 . 1 34 4 4 GLU CA C 56.740 . 1 35 4 4 GLU CB C 30.426 . 1 36 4 4 GLU CG C 36.385 . 1 37 4 4 GLU N N 120.511 . 1 38 5 5 VAL H H 8.148 . 1 39 5 5 VAL HA H 4.059 . 1 40 5 5 VAL HB H 2.077 . 1 41 5 5 VAL HG1 H 0.930 . 2 42 5 5 VAL HG2 H 0.955 . 2 43 5 5 VAL C C 176.408 . 1 44 5 5 VAL CA C 62.733 . 1 45 5 5 VAL CB C 32.701 . 1 46 5 5 VAL CG1 C 21.200 . 1 47 5 5 VAL CG2 C 20.889 . 1 48 5 5 VAL N N 121.386 . 1 49 6 6 GLN H H 8.379 . 1 50 6 6 GLN HA H 4.283 . 1 51 6 6 GLN HB2 H 1.983 . 2 52 6 6 GLN HB3 H 2.100 . 2 53 6 6 GLN HG2 H 2.367 . 2 54 6 6 GLN HE21 H 7.457 . 2 55 6 6 GLN C C 176.032 . 1 56 6 6 GLN CA C 56.109 . 1 57 6 6 GLN CB C 29.296 . 1 58 6 6 GLN CG C 33.872 . 1 59 6 6 GLN N N 123.844 . 1 60 6 6 GLN NE2 N 112.204 . 1 61 7 7 ALA H H 8.304 . 1 62 7 7 ALA HA H 4.250 . 1 63 7 7 ALA HB H 1.360 . 1 64 7 7 ALA C C 178.120 . 1 65 7 7 ALA CA C 53.297 . 1 66 7 7 ALA CB C 19.164 . 1 67 7 7 ALA N N 124.957 . 1 68 8 8 SER H H 8.206 . 1 69 8 8 SER HA H 4.321 . 1 70 8 8 SER HB2 H 3.867 . 2 71 8 8 SER HB3 H 3.830 . 2 72 8 8 SER C C 174.914 . 1 73 8 8 SER CA C 58.962 . 1 74 8 8 SER CB C 63.519 . 1 75 8 8 SER N N 114.601 . 1 76 9 9 TYR H H 7.966 . 1 77 9 9 TYR HA H 4.542 . 1 78 9 9 TYR HB2 H 3.053 . 2 79 9 9 TYR HD1 H 7.098 . 1 80 9 9 TYR HD2 H 7.098 . 1 81 9 9 TYR HE1 H 6.808 . 1 82 9 9 TYR HE2 H 6.808 . 1 83 9 9 TYR C C 176.047 . 1 84 9 9 TYR CA C 58.464 . 1 85 9 9 TYR CB C 38.378 . 1 86 9 9 TYR CD1 C 133.139 . 1 87 9 9 TYR CD2 C 133.139 . 1 88 9 9 TYR CE1 C 118.297 . 1 89 9 9 TYR CE2 C 118.297 . 1 90 9 9 TYR N N 121.691 . 1 91 10 10 LEU H H 7.900 . 1 92 10 10 LEU HA H 4.221 . 1 93 10 10 LEU HB2 H 1.613 . 2 94 10 10 LEU HB3 H 1.537 . 2 95 10 10 LEU HG H 1.490 . 1 96 10 10 LEU HD1 H 0.901 . 2 97 10 10 LEU HD2 H 0.856 . 2 98 10 10 LEU C C 177.600 . 1 99 10 10 LEU CA C 55.611 . 1 100 10 10 LEU CB C 42.260 . 1 101 10 10 LEU CG C 26.697 . 1 102 10 10 LEU CD1 C 24.982 . 1 103 10 10 LEU CD2 C 23.397 . 1 104 10 10 LEU N N 122.399 . 1 105 11 11 LYS H H 8.059 . 1 106 11 11 LYS HA H 4.271 . 1 107 11 11 LYS HB2 H 1.795 . 2 108 11 11 LYS HB3 H 1.877 . 2 109 11 11 LYS HG2 H 1.457 . 2 110 11 11 LYS HD2 H 1.712 . 2 111 11 11 LYS HE2 H 3.001 . 2 112 11 11 LYS C C 176.988 . 1 113 11 11 LYS CA C 56.932 . 1 114 11 11 LYS CB C 32.861 . 1 115 11 11 LYS CG C 24.823 . 1 116 11 11 LYS CD C 29.183 . 1 117 11 11 LYS CE C 42.143 . 1 118 11 11 LYS N N 121.322 . 1 119 12 12 SER H H 8.145 . 1 120 12 12 SER HA H 4.412 . 1 121 12 12 SER HB2 H 2.905 . 2 122 12 12 SER HB3 H 3.097 . 2 123 12 12 SER CA C 58.871 . 1 124 12 12 SER CB C 63.634 . 1 125 12 12 SER N N 115.988 . 1 126 13 13 GLN H H 8.274 . 1 127 13 13 GLN HA H 4.349 . 1 128 13 13 GLN HB2 H 1.993 . 2 129 13 13 GLN HB3 H 2.149 . 2 130 13 13 GLN HG2 H 2.338 . 2 131 13 13 GLN HE21 H 7.445 . 2 132 13 13 GLN CA C 56.275 . 1 133 13 13 GLN CB C 29.394 . 1 134 13 13 GLN CG C 33.881 . 1 135 13 13 GLN N N 121.785 . 1 136 13 13 GLN NE2 N 112.373 . 1 137 14 14 SER H H 8.223 . 1 138 14 14 SER HA H 4.434 . 1 139 14 14 SER HB2 H 3.887 . 2 140 14 14 SER CA C 58.748 . 1 141 14 14 SER CB C 63.891 . 1 142 14 14 SER N N 116.533 . 1 143 15 15 LYS H H 8.266 . 1 144 15 15 LYS HA H 4.366 . 1 145 15 15 LYS HB2 H 1.875 . 2 146 15 15 LYS HB3 H 1.767 . 2 147 15 15 LYS HG2 H 1.441 . 2 148 15 15 LYS HD2 H 1.694 . 2 149 15 15 LYS HE2 H 2.998 . 2 150 15 15 LYS C C 176.835 . 1 151 15 15 LYS CA C 56.318 . 1 152 15 15 LYS CB C 33.044 . 1 153 15 15 LYS CG C 24.630 . 1 154 15 15 LYS CD C 29.067 . 1 155 15 15 LYS CE C 42.134 . 1 156 15 15 LYS N N 122.962 . 1 157 16 16 LEU H H 8.205 . 1 158 16 16 LEU HA H 4.367 . 1 159 16 16 LEU HB2 H 1.584 . 2 160 16 16 LEU HB3 H 1.651 . 2 161 16 16 LEU HG H 1.620 . 1 162 16 16 LEU HD1 H 0.915 . 2 163 16 16 LEU HD2 H 0.867 . 2 164 16 16 LEU CA C 55.453 . 1 165 16 16 LEU CB C 42.386 . 1 166 16 16 LEU CG C 26.936 . 1 167 16 16 LEU CD1 C 24.995 . 1 168 16 16 LEU CD2 C 23.440 . 1 169 16 16 LEU N N 122.723 . 1 170 17 17 SER H H 8.225 . 1 171 17 17 SER HA H 4.447 . 1 172 17 17 SER HB2 H 3.899 . 2 173 17 17 SER CA C 58.390 . 1 174 17 17 SER CB C 63.914 . 1 175 17 17 SER N N 115.880 . 1 176 18 18 ASP H H 8.341 . 1 177 18 18 ASP HA H 4.625 . 1 178 18 18 ASP HB2 H 2.671 . 2 179 18 18 ASP HB3 H 2.731 . 2 180 18 18 ASP CA C 54.802 . 1 181 18 18 ASP CB C 41.250 . 1 182 18 18 ASP N N 122.385 . 1 183 19 19 GLU H H 8.358 . 1 184 19 19 GLU HA H 4.225 . 1 185 19 19 GLU HB2 H 1.968 . 2 186 19 19 GLU HB3 H 2.099 . 2 187 19 19 GLU HG2 H 2.285 . 2 188 19 19 GLU C C 177.252 . 1 189 19 19 GLU CA C 57.360 . 1 190 19 19 GLU CB C 30.005 . 1 191 19 19 GLU CG C 36.385 . 1 192 19 19 GLU N N 120.742 . 1 193 20 20 GLY H H 8.411 . 1 194 20 20 GLY HA2 H 3.793 . 2 195 20 20 GLY HA3 H 3.937 . 2 196 20 20 GLY C C 174.288 . 1 197 20 20 GLY CA C 45.690 . 1 198 20 20 GLY N N 109.281 . 1 199 21 21 ARG H H 7.917 . 1 200 21 21 ARG HA H 4.326 . 1 201 21 21 ARG HB2 H 1.778 . 2 202 21 21 ARG HB3 H 1.854 . 2 203 21 21 ARG HG2 H 1.604 . 2 204 21 21 ARG HD2 H 3.195 . 2 205 21 21 ARG C C 176.102 . 1 206 21 21 ARG CA C 56.217 . 1 207 21 21 ARG CB C 30.916 . 1 208 21 21 ARG CG C 27.065 . 1 209 21 21 ARG CD C 43.392 . 1 210 21 21 ARG N N 119.945 . 1 211 22 22 LEU H H 8.235 . 1 212 22 22 LEU HA H 4.360 . 1 213 22 22 LEU HB2 H 1.594 . 2 214 22 22 LEU HB3 H 1.648 . 2 215 22 22 LEU HG H 1.607 . 1 216 22 22 LEU HD1 H 0.907 . 2 217 22 22 LEU HD2 H 0.851 . 2 218 22 22 LEU CA C 55.036 . 1 219 22 22 LEU CB C 42.513 . 1 220 22 22 LEU CG C 26.933 . 1 221 22 22 LEU CD1 C 25.023 . 1 222 22 22 LEU CD2 C 23.481 . 1 223 22 22 LEU N N 123.029 . 1 224 23 23 GLU H H 8.251 . 1 225 23 23 GLU HA H 4.587 . 1 226 23 23 GLU HB2 H 1.910 . 2 227 23 23 GLU HB3 H 2.021 . 2 228 23 23 GLU HG2 H 2.257 . 2 229 23 23 GLU CA C 54.456 . 1 230 23 23 GLU CB C 30.040 . 1 231 23 23 GLU CG C 36.133 . 1 232 23 23 GLU N N 122.998 . 1 233 24 24 PRO HA H 4.373 . 1 234 24 24 PRO HB2 H 1.894 . 2 235 24 24 PRO HB3 H 2.266 . 2 236 24 24 PRO HG2 H 2.003 . 2 237 24 24 PRO HD2 H 3.694 . 2 238 24 24 PRO HD3 H 3.814 . 2 239 24 24 PRO CA C 63.566 . 1 240 24 24 PRO CB C 32.095 . 1 241 24 24 PRO CG C 27.388 . 1 242 24 24 PRO CD C 50.783 . 1 243 25 25 ARG H H 8.406 . 1 244 25 25 ARG HA H 4.206 . 1 245 25 25 ARG HB2 H 1.744 . 2 246 25 25 ARG HG2 H 1.595 . 2 247 25 25 ARG HD2 H 3.169 . 2 248 25 25 ARG CA C 56.458 . 1 249 25 25 ARG CB C 30.660 . 1 250 25 25 ARG CG C 27.188 . 1 251 25 25 ARG CD C 43.429 . 1 252 25 25 ARG N N 120.520 . 1 253 26 26 LYS H H 8.176 . 1 254 26 26 LYS HA H 4.231 . 1 255 26 26 LYS HB2 H 1.651 . 2 256 26 26 LYS HG2 H 1.240 . 2 257 26 26 LYS HG3 H 1.317 . 2 258 26 26 LYS HD2 H 1.623 . 2 259 26 26 LYS HE2 H 2.947 . 2 260 26 26 LYS CA C 56.449 . 1 261 26 26 LYS CB C 33.127 . 1 262 26 26 LYS CG C 24.746 . 1 263 26 26 LYS CD C 29.134 . 1 264 26 26 LYS CE C 42.172 . 1 265 26 26 LYS N N 121.662 . 1 266 27 27 PHE H H 8.138 . 1 267 27 27 PHE HA H 4.569 . 1 268 27 27 PHE HB2 H 3.075 . 2 269 27 27 PHE HB3 H 2.959 . 2 270 27 27 PHE HD1 H 7.178 . 1 271 27 27 PHE HD2 H 7.178 . 1 272 27 27 PHE CA C 57.698 . 1 273 27 27 PHE CB C 39.719 . 1 274 27 27 PHE N N 120.337 . 1 275 28 28 HIS H H 7.000 . 1 276 28 28 HIS HA H 4.607 . 1 277 28 28 HIS HB2 H 3.029 . 2 278 28 28 HIS HB3 H 3.102 . 2 279 28 28 HIS CA C 56.263 . 1 280 28 28 HIS CB C 31.027 . 1 281 30 30 LYS HA H 4.280 . 1 282 30 30 LYS HB2 H 1.799 . 2 283 30 30 LYS HB3 H 1.875 . 2 284 30 30 LYS HG2 H 1.429 . 2 285 30 30 LYS HG3 H 1.477 . 2 286 30 30 LYS HD2 H 1.697 . 2 287 30 30 LYS HE2 H 2.996 . 2 288 30 30 LYS CA C 56.786 . 1 289 30 30 LYS CB C 32.953 . 1 290 30 30 LYS CG C 24.788 . 1 291 30 30 LYS CD C 29.129 . 1 292 30 30 LYS CE C 42.290 . 1 293 31 31 GLY H H 8.432 . 1 294 31 31 GLY HA2 H 3.978 . 2 295 31 31 GLY HA3 H 3.926 . 2 296 31 31 GLY C C 173.922 . 1 297 31 31 GLY CA C 45.350 . 1 298 31 31 GLY N N 110.168 . 1 299 32 32 VAL H H 7.831 . 1 300 32 32 VAL HA H 4.125 . 1 301 32 32 VAL HB H 2.061 . 1 302 32 32 VAL HG1 H 0.900 . 2 303 32 32 VAL HG2 H 0.888 . 2 304 32 32 VAL C C 175.866 . 1 305 32 32 VAL CA C 62.086 . 1 306 32 32 VAL CB C 32.941 . 1 307 32 32 VAL CG1 C 21.264 . 1 308 32 32 VAL CG2 C 20.536 . 1 309 32 32 VAL N N 119.089 . 1 310 33 33 LYS H H 8.329 . 1 311 33 33 LYS HA H 4.360 . 1 312 33 33 LYS HB2 H 1.741 . 2 313 33 33 LYS HG2 H 1.319 . 2 314 33 33 LYS HD2 H 1.648 . 2 315 33 33 LYS HE2 H 2.962 . 2 316 33 33 LYS C C 176.092 . 1 317 33 33 LYS CA C 56.094 . 1 318 33 33 LYS CB C 32.944 . 1 319 33 33 LYS CG C 24.948 . 1 320 33 33 LYS CD C 29.152 . 1 321 33 33 LYS CE C 42.440 . 1 322 33 33 LYS N N 125.160 . 1 323 34 34 VAL H H 8.304 . 1 324 34 34 VAL HA H 4.379 . 1 325 34 34 VAL HB H 2.062 . 1 326 34 34 VAL HG1 H 1.013 . 2 327 34 34 VAL HG2 H 0.970 . 2 328 34 34 VAL CA C 60.014 . 1 329 34 34 VAL CB C 33.066 . 1 330 34 34 VAL CG1 C 21.480 . 1 331 34 34 VAL CG2 C 20.815 . 1 332 34 34 VAL N N 124.198 . 1 333 35 35 PRO HA H 4.446 . 1 334 35 35 PRO HB2 H 2.462 . 2 335 35 35 PRO HD2 H 3.642 . 2 336 35 35 PRO HD3 H 3.961 . 2 337 35 35 PRO C C 177.441 . 1 338 35 35 PRO CA C 63.774 . 1 339 35 35 PRO CB C 32.571 . 1 340 35 35 PRO CD C 51.185 . 1 341 36 36 ARG H H 8.602 . 1 342 36 36 ARG HA H 4.044 . 1 343 36 36 ARG HB2 H 1.751 . 2 344 36 36 ARG HD2 H 3.274 . 2 345 36 36 ARG HD3 H 3.479 . 2 346 36 36 ARG C C 177.297 . 1 347 36 36 ARG CA C 60.560 . 1 348 36 36 ARG CB C 31.178 . 1 349 36 36 ARG CD C 43.632 . 1 350 36 36 ARG N N 123.700 . 1 351 37 37 ASN H H 8.432 . 1 352 37 37 ASN HA H 4.341 . 1 353 37 37 ASN HB2 H 2.798 . 2 354 37 37 ASN HB3 H 2.863 . 2 355 37 37 ASN HD21 H 7.523 . 2 356 37 37 ASN HD22 H 6.782 . 2 357 37 37 ASN C C 176.757 . 1 358 37 37 ASN CA C 56.826 . 1 359 37 37 ASN CB C 37.245 . 1 360 37 37 ASN N N 115.239 . 1 361 37 37 ASN ND2 N 111.384 . 1 362 38 38 PHE H H 7.577 . 1 363 38 38 PHE HA H 4.330 . 1 364 38 38 PHE HB2 H 3.178 . 2 365 38 38 PHE HB3 H 3.277 . 2 366 38 38 PHE HD1 H 7.272 . 1 367 38 38 PHE HD2 H 7.272 . 1 368 38 38 PHE C C 178.302 . 1 369 38 38 PHE CA C 60.932 . 1 370 38 38 PHE CB C 38.761 . 1 371 38 38 PHE N N 118.236 . 1 372 39 39 ARG H H 8.080 . 1 373 39 39 ARG HA H 4.451 . 1 374 39 39 ARG HB2 H 2.141 . 2 375 39 39 ARG HD2 H 3.415 . 2 376 39 39 ARG HD3 H 3.633 . 2 377 39 39 ARG CA C 57.506 . 1 378 39 39 ARG CB C 28.504 . 1 379 39 39 ARG CD C 40.597 . 1 380 39 39 ARG N N 119.617 . 1 381 40 40 LEU H H 8.657 . 1 382 40 40 LEU HA H 4.377 . 1 383 40 40 LEU HB2 H 2.165 . 2 384 40 40 LEU HB3 H 1.955 . 2 385 40 40 LEU HG H 1.893 . 1 386 40 40 LEU HD1 H 1.185 . 2 387 40 40 LEU HD2 H 0.913 . 2 388 40 40 LEU CA C 58.582 . 1 389 40 40 LEU CB C 43.021 . 1 390 40 40 LEU CG C 28.193 . 1 391 40 40 LEU CD1 C 26.311 . 1 392 40 40 LEU CD2 C 23.900 . 1 393 40 40 LEU N N 119.765 . 1 394 41 41 LEU H H 8.275 . 1 395 41 41 LEU HA H 4.332 . 1 396 41 41 LEU HB2 H 1.568 . 2 397 41 41 LEU HB3 H 1.988 . 2 398 41 41 LEU HG H 1.930 . 1 399 41 41 LEU HD1 H 0.913 . 2 400 41 41 LEU HD2 H 0.951 . 2 401 41 41 LEU C C 180.573 . 1 402 41 41 LEU CA C 58.188 . 1 403 41 41 LEU CB C 41.715 . 1 404 41 41 LEU CG C 26.985 . 1 405 41 41 LEU CD1 C 25.380 . 1 406 41 41 LEU CD2 C 23.379 . 1 407 41 41 LEU N N 120.566 . 1 408 42 42 GLU H H 7.802 . 1 409 42 42 GLU HA H 4.263 . 1 410 42 42 GLU HB2 H 2.506 . 2 411 42 42 GLU HB3 H 2.265 . 2 412 42 42 GLU HG2 H 2.492 . 2 413 42 42 GLU HG3 H 2.164 . 2 414 42 42 GLU C C 180.263 . 1 415 42 42 GLU CA C 60.071 . 1 416 42 42 GLU CB C 29.587 . 1 417 42 42 GLU CG C 36.861 . 1 418 42 42 GLU N N 121.837 . 1 419 43 43 GLU H H 8.501 . 1 420 43 43 GLU HA H 4.455 . 1 421 43 43 GLU HB2 H 2.253 . 2 422 43 43 GLU HG2 H 2.782 . 2 423 43 43 GLU HG3 H 2.191 . 2 424 43 43 GLU C C 180.680 . 1 425 43 43 GLU CA C 61.678 . 1 426 43 43 GLU CB C 29.523 . 1 427 43 43 GLU CG C 38.435 . 1 428 43 43 GLU N N 120.378 . 1 429 44 44 LEU H H 9.103 . 1 430 44 44 LEU HA H 4.592 . 1 431 44 44 LEU HB2 H 2.140 . 2 432 44 44 LEU HB3 H 2.474 . 2 433 44 44 LEU HG H 1.647 . 1 434 44 44 LEU HD1 H 0.979 . 2 435 44 44 LEU HD2 H 0.941 . 2 436 44 44 LEU CA C 58.821 . 1 437 44 44 LEU CB C 42.890 . 1 438 44 44 LEU CG C 27.301 . 1 439 44 44 LEU CD1 C 24.730 . 1 440 44 44 LEU CD2 C 25.935 . 1 441 44 44 LEU N N 125.207 . 1 442 45 45 GLU H H 8.007 . 1 443 45 45 GLU HA H 4.139 . 1 444 45 45 GLU HB2 H 2.237 . 2 445 45 45 GLU HB3 H 2.285 . 2 446 45 45 GLU HG2 H 2.337 . 2 447 45 45 GLU HG3 H 2.474 . 2 448 45 45 GLU C C 179.664 . 1 449 45 45 GLU CA C 59.665 . 1 450 45 45 GLU CB C 29.495 . 1 451 45 45 GLU CG C 36.284 . 1 452 45 45 GLU N N 120.372 . 1 453 46 46 GLU H H 8.441 . 1 454 46 46 GLU HA H 4.125 . 1 455 46 46 GLU HB2 H 2.439 . 2 456 46 46 GLU HB3 H 2.482 . 2 457 46 46 GLU HG2 H 2.611 . 2 458 46 46 GLU HG3 H 2.544 . 2 459 46 46 GLU C C 179.133 . 1 460 46 46 GLU CA C 59.700 . 1 461 46 46 GLU CB C 30.040 . 1 462 46 46 GLU CG C 36.832 . 1 463 46 46 GLU N N 119.226 . 1 464 47 47 GLY H H 8.408 . 1 465 47 47 GLY HA2 H 2.324 . 2 466 47 47 GLY HA3 H 2.782 . 2 467 47 47 GLY C C 175.970 . 1 468 47 47 GLY CA C 45.357 . 1 469 47 47 GLY N N 107.372 . 1 470 48 48 GLN H H 7.887 . 1 471 48 48 GLN HA H 4.086 . 1 472 48 48 GLN HB2 H 2.095 . 2 473 48 48 GLN HB3 H 2.250 . 2 474 48 48 GLN HG2 H 2.424 . 2 475 48 48 GLN HG3 H 2.625 . 2 476 48 48 GLN HE21 H 7.319 . 2 477 48 48 GLN HE22 H 6.815 . 2 478 48 48 GLN C C 177.953 . 1 479 48 48 GLN CA C 57.875 . 1 480 48 48 GLN CB C 28.764 . 1 481 48 48 GLN CG C 34.270 . 1 482 48 48 GLN N N 119.290 . 1 483 48 48 GLN NE2 N 111.147 . 1 484 49 49 LYS H H 7.623 . 1 485 49 49 LYS HA H 4.175 . 1 486 49 49 LYS HB2 H 1.969 . 2 487 49 49 LYS HG2 H 1.655 . 2 488 49 49 LYS HG3 H 1.540 . 2 489 49 49 LYS HD2 H 1.750 . 2 490 49 49 LYS HE2 H 3.016 . 2 491 49 49 LYS C C 178.115 . 1 492 49 49 LYS CA C 57.982 . 1 493 49 49 LYS CB C 33.247 . 1 494 49 49 LYS CG C 25.143 . 1 495 49 49 LYS CD C 29.387 . 1 496 49 49 LYS CE C 42.230 . 1 497 49 49 LYS N N 118.939 . 1 498 50 50 GLY H H 7.854 . 1 499 50 50 GLY HA2 H 3.668 . 2 500 50 50 GLY HA3 H 4.115 . 2 501 50 50 GLY C C 173.921 . 1 502 50 50 GLY CA C 45.093 . 1 503 50 50 GLY N N 107.041 . 1 504 51 51 VAL H H 8.321 . 1 505 51 51 VAL HA H 4.484 . 1 506 51 51 VAL HB H 2.319 . 1 507 51 51 VAL HG1 H 1.086 . 2 508 51 51 VAL HG2 H 1.109 . 2 509 51 51 VAL C C 177.370 . 1 510 51 51 VAL CA C 61.320 . 1 511 51 51 VAL CB C 33.389 . 1 512 51 51 VAL CG1 C 21.855 . 1 513 51 51 VAL CG2 C 20.445 . 1 514 51 51 VAL N N 115.756 . 1 515 52 52 GLY H H 8.705 . 1 516 52 52 GLY HA2 H 3.873 . 2 517 52 52 GLY HA3 H 4.163 . 2 518 52 52 GLY C C 174.696 . 1 519 52 52 GLY CA C 46.724 . 1 520 52 52 GLY N N 112.647 . 1 521 53 53 ASP H H 8.170 . 1 522 53 53 ASP HA H 4.630 . 1 523 53 53 ASP HB2 H 2.692 . 2 524 53 53 ASP HB3 H 3.026 . 2 525 53 53 ASP C C 177.509 . 1 526 53 53 ASP CA C 53.554 . 1 527 53 53 ASP CB C 41.052 . 1 528 53 53 ASP N N 119.564 . 1 529 54 54 GLY H H 8.342 . 1 530 54 54 GLY HA2 H 3.955 . 2 531 54 54 GLY HA3 H 4.085 . 2 532 54 54 GLY C C 175.419 . 1 533 54 54 GLY CA C 46.222 . 1 534 54 54 GLY N N 107.486 . 1 535 55 55 THR H H 8.103 . 1 536 55 55 THR HA H 4.028 . 1 537 55 55 THR HB H 4.224 . 1 538 55 55 THR HG2 H 1.198 . 1 539 55 55 THR C C 174.226 . 1 540 55 55 THR CA C 64.236 . 1 541 55 55 THR CB C 70.536 . 1 542 55 55 THR CG2 C 22.577 . 1 543 55 55 THR N N 109.825 . 1 544 56 56 VAL H H 7.285 . 1 545 56 56 VAL HA H 5.483 . 1 546 56 56 VAL HB H 2.317 . 1 547 56 56 VAL HG1 H 1.002 . 2 548 56 56 VAL HG2 H 1.016 . 2 549 56 56 VAL C C 175.154 . 1 550 56 56 VAL CA C 59.405 . 1 551 56 56 VAL CB C 36.007 . 1 552 56 56 VAL CG1 C 22.569 . 1 553 56 56 VAL CG2 C 19.480 . 1 554 56 56 VAL N N 111.070 . 1 555 57 57 SER H H 8.901 . 1 556 57 57 SER HA H 4.747 . 1 557 57 57 SER HB2 H 3.823 . 2 558 57 57 SER HB3 H 3.684 . 2 559 57 57 SER CA C 57.778 . 1 560 57 57 SER CB C 65.359 . 1 561 57 57 SER N N 115.861 . 1 562 58 58 TRP H H 7.885 . 1 563 58 58 TRP HA H 5.768 . 1 564 58 58 TRP HB2 H 3.225 . 2 565 58 58 TRP HB3 H 3.632 . 2 566 58 58 TRP HD1 H 7.289 . 1 567 58 58 TRP HE1 H 9.899 . 1 568 58 58 TRP HE3 H 7.139 . 1 569 58 58 TRP HZ2 H 7.338 . 1 570 58 58 TRP HZ3 H 6.914 . 1 571 58 58 TRP HH2 H 7.021 . 1 572 58 58 TRP CA C 57.906 . 1 573 58 58 TRP CB C 32.262 . 1 574 58 58 TRP CD1 C 127.689 . 1 575 58 58 TRP CZ2 C 114.127 . 1 576 58 58 TRP CZ3 C 120.892 . 1 577 58 58 TRP CH2 C 124.107 . 1 578 58 58 TRP N N 119.563 . 1 579 58 58 TRP NE1 N 126.762 . 1 580 59 59 GLY H H 8.579 . 1 581 59 59 GLY HA2 H 4.009 . 2 582 59 59 GLY HA3 H 4.353 . 2 583 59 59 GLY CA C 45.157 . 1 584 59 59 GLY N N 104.778 . 1 585 60 60 LEU H H 8.273 . 1 586 60 60 LEU HA H 3.654 . 1 587 60 60 LEU HB2 H 1.114 . 2 588 60 60 LEU HB3 H 1.052 . 2 589 60 60 LEU HG H 0.882 . 1 590 60 60 LEU HD1 H 0.473 . 2 591 60 60 LEU HD2 H -0.154 . 2 592 60 60 LEU CA C 55.039 . 1 593 60 60 LEU CB C 42.541 . 1 594 60 60 LEU CG C 26.600 . 1 595 60 60 LEU CD1 C 25.190 . 1 596 60 60 LEU CD2 C 22.732 . 1 597 60 60 LEU N N 121.663 . 1 598 61 61 GLU H H 8.419 . 1 599 61 61 GLU HA H 3.916 . 1 600 61 61 GLU HB2 H 1.631 . 2 601 61 61 GLU HB3 H 1.787 . 2 602 61 61 GLU HG2 H 2.074 . 2 603 61 61 GLU CA C 59.049 . 1 604 61 61 GLU CB C 30.308 . 1 605 61 61 GLU CG C 36.959 . 1 606 61 61 GLU N N 123.742 . 1 607 62 62 ASP H H 7.966 . 1 608 62 62 ASP HA H 4.676 . 1 609 62 62 ASP HB2 H 2.488 . 2 610 62 62 ASP HB3 H 2.761 . 2 611 62 62 ASP CA C 52.698 . 1 612 62 62 ASP CB C 43.021 . 1 613 62 62 ASP N N 117.615 . 1 614 63 63 ASP H H 8.492 . 1 615 63 63 ASP HA H 4.268 . 1 616 63 63 ASP HB2 H 2.615 . 2 617 63 63 ASP CA C 56.063 . 1 618 63 63 ASP CB C 40.621 . 1 619 63 63 ASP N N 123.821 . 1 620 64 64 GLU H H 8.356 . 1 621 64 64 GLU HA H 4.259 . 1 622 64 64 GLU HB2 H 2.210 . 2 623 64 64 GLU HB3 H 1.919 . 2 624 64 64 GLU HG2 H 2.305 . 2 625 64 64 GLU HG3 H 2.143 . 2 626 64 64 GLU CA C 56.185 . 1 627 64 64 GLU CB C 29.497 . 1 628 64 64 GLU CG C 36.740 . 1 629 64 64 GLU N N 117.225 . 1 630 65 65 ASP H H 7.662 . 1 631 65 65 ASP HA H 4.643 . 1 632 65 65 ASP HB2 H 2.700 . 2 633 65 65 ASP HB3 H 3.205 . 2 634 65 65 ASP CA C 53.581 . 1 635 65 65 ASP CB C 40.396 . 1 636 65 65 ASP N N 118.526 . 1 637 66 66 MET H H 8.603 . 1 638 66 66 MET HA H 4.395 . 1 639 66 66 MET HB2 H 2.196 . 2 640 66 66 MET HB3 H 2.121 . 2 641 66 66 MET HG2 H 2.557 . 2 642 66 66 MET HG3 H 2.765 . 2 643 66 66 MET HE H 2.078 . 1 644 66 66 MET CA C 56.456 . 1 645 66 66 MET CB C 32.056 . 1 646 66 66 MET CG C 32.368 . 1 647 66 66 MET CE C 17.447 . 1 648 66 66 MET N N 126.367 . 1 649 67 67 THR H H 8.368 . 1 650 67 67 THR HA H 4.495 . 1 651 67 67 THR HB H 4.420 . 1 652 67 67 THR HG2 H 1.289 . 1 653 67 67 THR CA C 62.449 . 1 654 67 67 THR CB C 70.130 . 1 655 67 67 THR CG2 C 21.626 . 1 656 67 67 THR N N 109.538 . 1 657 68 68 LEU H H 7.770 . 1 658 68 68 LEU HA H 3.638 . 1 659 68 68 LEU HB2 H 2.277 . 2 660 68 68 LEU HB3 H 1.830 . 2 661 68 68 LEU HG H 1.533 . 1 662 68 68 LEU HD1 H 0.970 . 1 663 68 68 LEU HD2 H 0.925 . 1 664 68 68 LEU CA C 56.417 . 1 665 68 68 LEU CB C 39.897 . 1 666 68 68 LEU CG C 27.295 . 1 667 68 68 LEU CD1 C 27.158 . 1 668 68 68 LEU CD2 C 24.825 . 1 669 68 68 LEU N N 117.211 . 1 670 69 69 THR H H 7.955 . 1 671 69 69 THR HA H 4.415 . 1 672 69 69 THR HB H 3.950 . 1 673 69 69 THR HG2 H 1.160 . 1 674 69 69 THR CA C 66.164 . 1 675 69 69 THR CB C 69.253 . 1 676 69 69 THR CG2 C 21.200 . 1 677 69 69 THR N N 113.568 . 1 678 70 70 ARG H H 7.134 . 1 679 70 70 ARG HA H 4.916 . 1 680 70 70 ARG HB2 H 1.866 . 2 681 70 70 ARG HB3 H 2.011 . 2 682 70 70 ARG HG2 H 1.551 . 2 683 70 70 ARG HD2 H 3.258 . 2 684 70 70 ARG CA C 57.211 . 1 685 70 70 ARG CB C 31.002 . 1 686 70 70 ARG CG C 28.525 . 1 687 70 70 ARG CD C 43.326 . 1 688 70 70 ARG N N 119.094 . 1 689 71 71 TRP H H 9.716 . 1 690 71 71 TRP HA H 5.097 . 1 691 71 71 TRP HB2 H 3.075 . 2 692 71 71 TRP HB3 H 3.381 . 2 693 71 71 TRP HD1 H 7.144 . 1 694 71 71 TRP HE1 H 9.560 . 1 695 71 71 TRP HE3 H 7.432 . 1 696 71 71 TRP HZ2 H 7.379 . 1 697 71 71 TRP HZ3 H 7.001 . 1 698 71 71 TRP HH2 H 7.182 . 1 699 71 71 TRP CA C 56.786 . 1 700 71 71 TRP CB C 31.321 . 1 701 71 71 TRP CD1 C 127.292 . 1 702 71 71 TRP CZ2 C 115.007 . 1 703 71 71 TRP CH2 C 123.332 . 1 704 71 71 TRP N N 126.694 . 1 705 71 71 TRP NE1 N 129.341 . 1 706 72 72 THR H H 9.880 . 1 707 72 72 THR HA H 5.236 . 1 708 72 72 THR HB H 4.239 . 1 709 72 72 THR HG2 H 1.170 . 1 710 72 72 THR CA C 60.051 . 1 711 72 72 THR CB C 70.628 . 1 712 72 72 THR CG2 C 21.600 . 1 713 72 72 THR N N 117.206 . 1 714 73 73 GLY H H 8.434 . 1 715 73 73 GLY HA2 H 5.480 . 2 716 73 73 GLY HA3 H 3.384 . 2 717 73 73 GLY CA C 44.255 . 1 718 73 73 GLY N N 107.842 . 1 719 74 74 MET H H 8.993 . 1 720 74 74 MET HA H 5.744 . 1 721 74 74 MET HB2 H 1.909 . 2 722 74 74 MET HB3 H 1.981 . 2 723 74 74 MET HG2 H 2.497 . 2 724 74 74 MET HG3 H 2.303 . 2 725 74 74 MET HE H 1.915 . 1 726 74 74 MET CA C 54.691 . 1 727 74 74 MET CB C 36.387 . 1 728 74 74 MET CG C 32.041 . 1 729 74 74 MET CE C 16.875 . 1 730 74 74 MET N N 122.952 . 1 731 75 75 ILE H H 8.826 . 1 732 75 75 ILE HA H 4.830 . 1 733 75 75 ILE HB H 1.555 . 1 734 75 75 ILE HG12 H 1.623 . 1 735 75 75 ILE HG2 H 0.848 . 1 736 75 75 ILE HD1 H 0.805 . 1 737 75 75 ILE CA C 60.612 . 1 738 75 75 ILE CB C 44.937 . 1 739 75 75 ILE CG1 C 27.533 . 1 740 75 75 ILE CG2 C 18.100 . 1 741 75 75 ILE CD1 C 16.040 . 1 742 75 75 ILE N N 121.652 . 1 743 76 76 ILE H H 8.579 . 1 744 76 76 ILE HA H 4.814 . 1 745 76 76 ILE HB H 1.825 . 1 746 76 76 ILE HG12 H 1.629 . 2 747 76 76 ILE HG13 H 1.150 . 2 748 76 76 ILE HG2 H 0.974 . 1 749 76 76 ILE HD1 H 0.833 . 1 750 76 76 ILE CA C 60.343 . 1 751 76 76 ILE CB C 37.707 . 1 752 76 76 ILE CG1 C 28.008 . 1 753 76 76 ILE CG2 C 17.197 . 1 754 76 76 ILE CD1 C 12.800 . 1 755 76 76 ILE N N 126.720 . 1 756 77 77 GLY H H 9.774 . 1 757 77 77 GLY HA2 H 4.220 . 2 758 77 77 GLY HA3 H 4.359 . 2 759 77 77 GLY CA C 44.880 . 1 760 77 77 GLY N N 117.621 . 1 761 78 78 PRO HA H 4.887 . 1 762 78 78 PRO HB2 H 2.143 . 2 763 78 78 PRO CA C 61.739 . 1 764 78 78 PRO CB C 31.021 . 1 765 79 79 PRO HA H 4.449 . 1 766 79 79 PRO HB2 H 1.920 . 2 767 79 79 PRO HB3 H 2.414 . 2 768 79 79 PRO HG2 H 2.119 . 2 769 79 79 PRO HD2 H 3.920 . 2 770 79 79 PRO HD3 H 3.639 . 2 771 79 79 PRO CA C 62.708 . 1 772 79 79 PRO CB C 32.643 . 1 773 79 79 PRO CG C 27.270 . 1 774 79 79 PRO CD C 51.100 . 1 775 80 80 ARG H H 9.149 . 1 776 80 80 ARG HA H 3.910 . 1 777 80 80 ARG HB2 H 2.029 . 2 778 80 80 ARG HB3 H 2.207 . 2 779 80 80 ARG HG2 H 1.602 . 2 780 80 80 ARG HG3 H 1.633 . 2 781 80 80 ARG HD2 H 3.230 . 2 782 80 80 ARG HD3 H 3.314 . 2 783 80 80 ARG CA C 57.487 . 1 784 80 80 ARG CB C 26.626 . 1 785 80 80 ARG CG C 27.930 . 1 786 80 80 ARG CD C 43.453 . 1 787 80 80 ARG N N 113.132 . 1 788 81 81 THR H H 7.428 . 1 789 81 81 THR HA H 4.889 . 1 790 81 81 THR HB H 4.568 . 1 791 81 81 THR HG2 H 1.339 . 1 792 81 81 THR CA C 60.124 . 1 793 81 81 THR CB C 74.710 . 1 794 81 81 THR CG2 C 22.720 . 1 795 81 81 THR N N 105.366 . 1 796 82 82 ILE H H 8.607 . 1 797 82 82 ILE HA H 4.225 . 1 798 82 82 ILE HB H 1.650 . 1 799 82 82 ILE HG12 H 1.195 . 1 800 82 82 ILE HG13 H 1.396 . 1 801 82 82 ILE HG2 H 0.334 . 1 802 82 82 ILE HD1 H 0.844 . 1 803 82 82 ILE CA C 60.632 . 1 804 82 82 ILE CB C 39.955 . 1 805 82 82 ILE CG1 C 28.113 . 1 806 82 82 ILE CG2 C 16.470 . 1 807 82 82 ILE CD1 C 14.910 . 1 808 82 82 ILE N N 121.864 . 1 809 83 83 TYR H H 7.324 . 1 810 83 83 TYR HA H 4.379 . 1 811 83 83 TYR HB2 H 3.642 . 2 812 83 83 TYR HB3 H 2.554 . 2 813 83 83 TYR HD1 H 7.281 . 1 814 83 83 TYR HD2 H 7.281 . 1 815 83 83 TYR HE1 H 6.731 . 1 816 83 83 TYR HE2 H 6.731 . 1 817 83 83 TYR CA C 56.849 . 1 818 83 83 TYR CB C 38.948 . 1 819 83 83 TYR N N 119.314 . 1 820 84 84 GLU H H 7.293 . 1 821 84 84 GLU HA H 3.556 . 1 822 84 84 GLU HB2 H 2.343 . 2 823 84 84 GLU HB3 H 2.137 . 2 824 84 84 GLU HG2 H 2.106 . 2 825 84 84 GLU HG3 H 2.327 . 2 826 84 84 GLU CA C 57.943 . 1 827 84 84 GLU CB C 30.886 . 1 828 84 84 GLU CG C 35.446 . 1 829 84 84 GLU N N 118.620 . 1 830 85 85 ASN H H 8.534 . 1 831 85 85 ASN HA H 4.227 . 1 832 85 85 ASN HB2 H 3.037 . 2 833 85 85 ASN HB3 H 3.183 . 2 834 85 85 ASN HD21 H 7.703 . 2 835 85 85 ASN HD22 H 6.956 . 2 836 85 85 ASN CA C 55.376 . 1 837 85 85 ASN CB C 37.443 . 1 838 85 85 ASN N N 117.557 . 1 839 85 85 ASN ND2 N 113.018 . 1 840 86 86 ARG H H 8.186 . 1 841 86 86 ARG HA H 4.360 . 1 842 86 86 ARG HB2 H 1.379 . 2 843 86 86 ARG HB3 H 2.219 . 2 844 86 86 ARG HG2 H 1.402 . 2 845 86 86 ARG HG3 H 1.713 . 2 846 86 86 ARG HD2 H 3.290 . 2 847 86 86 ARG HD3 H 3.357 . 2 848 86 86 ARG CA C 56.725 . 1 849 86 86 ARG CB C 31.711 . 1 850 86 86 ARG CG C 28.661 . 1 851 86 86 ARG CD C 44.214 . 1 852 86 86 ARG N N 121.481 . 1 853 87 87 ILE H H 8.105 . 1 854 87 87 ILE HA H 4.438 . 1 855 87 87 ILE HB H 1.658 . 1 856 87 87 ILE HG12 H 1.566 . 1 857 87 87 ILE HG13 H 1.058 . 1 858 87 87 ILE HG2 H 0.789 . 1 859 87 87 ILE HD1 H 0.838 . 1 860 87 87 ILE CA C 60.735 . 1 861 87 87 ILE CB C 38.609 . 1 862 87 87 ILE CG1 C 27.837 . 1 863 87 87 ILE CG2 C 17.950 . 1 864 87 87 ILE CD1 C 13.200 . 1 865 87 87 ILE N N 120.941 . 1 866 88 88 TYR H H 9.349 . 1 867 88 88 TYR HA H 4.629 . 1 868 88 88 TYR HB2 H 3.100 . 2 869 88 88 TYR HB3 H 2.971 . 2 870 88 88 TYR HD1 H 7.008 . 1 871 88 88 TYR HD2 H 7.008 . 1 872 88 88 TYR HE1 H 6.918 . 1 873 88 88 TYR HE2 H 6.918 . 1 874 88 88 TYR CA C 58.386 . 1 875 88 88 TYR CB C 40.817 . 1 876 88 88 TYR N N 127.514 . 1 877 89 89 SER H H 9.294 . 1 878 89 89 SER HA H 5.401 . 1 879 89 89 SER HB2 H 3.822 . 2 880 89 89 SER HB3 H 3.957 . 2 881 89 89 SER CA C 57.513 . 1 882 89 89 SER CB C 64.603 . 1 883 89 89 SER N N 117.507 . 1 884 90 90 LEU H H 9.143 . 1 885 90 90 LEU HA H 5.212 . 1 886 90 90 LEU HB2 H 0.797 . 2 887 90 90 LEU HB3 H 1.424 . 2 888 90 90 LEU HG H 0.949 . 1 889 90 90 LEU HD1 H 0.439 . 2 890 90 90 LEU HD2 H -0.389 . 2 891 90 90 LEU CA C 56.324 . 1 892 90 90 LEU CB C 46.579 . 1 893 90 90 LEU CG C 29.661 . 1 894 90 90 LEU CD1 C 25.636 . 1 895 90 90 LEU CD2 C 26.441 . 1 896 90 90 LEU N N 124.383 . 1 897 91 91 LYS H H 9.255 . 1 898 91 91 LYS HA H 5.040 . 1 899 91 91 LYS HB2 H 1.521 . 2 900 91 91 LYS HB3 H 1.968 . 2 901 91 91 LYS HG2 H 1.423 . 2 902 91 91 LYS HD2 H 1.747 . 2 903 91 91 LYS HD3 H 1.584 . 2 904 91 91 LYS HE2 H 2.926 . 2 905 91 91 LYS HE3 H 2.977 . 2 906 91 91 LYS CA C 55.857 . 1 907 91 91 LYS CB C 35.435 . 1 908 91 91 LYS CG C 25.575 . 1 909 91 91 LYS CD C 29.055 . 1 910 91 91 LYS CE C 42.072 . 1 911 91 91 LYS N N 121.415 . 1 912 92 92 ILE H H 8.705 . 1 913 92 92 ILE HA H 5.043 . 1 914 92 92 ILE HB H 1.553 . 1 915 92 92 ILE HG12 H 0.865 . 1 916 92 92 ILE HG13 H 1.355 . 1 917 92 92 ILE HG2 H 0.633 . 1 918 92 92 ILE HD1 H 0.659 . 1 919 92 92 ILE CA C 59.950 . 1 920 92 92 ILE CB C 42.769 . 1 921 92 92 ILE CG1 C 29.451 . 1 922 92 92 ILE CG2 C 19.379 . 1 923 92 92 ILE CD1 C 15.438 . 1 924 92 92 ILE N N 124.271 . 1 925 93 93 GLU H H 9.269 . 1 926 93 93 GLU HA H 5.555 . 1 927 93 93 GLU HB2 H 2.078 . 2 928 93 93 GLU HG2 H 2.048 . 2 929 93 93 GLU HG3 H 2.250 . 2 930 93 93 GLU CA C 54.555 . 1 931 93 93 GLU CB C 32.949 . 1 932 93 93 GLU CG C 36.750 . 1 933 93 93 GLU N N 126.631 . 1 934 94 94 CYS H H 9.343 . 1 935 94 94 CYS HA H 4.083 . 1 936 94 94 CYS HB2 H 1.941 . 2 937 94 94 CYS HB3 H 2.878 . 2 938 94 94 CYS CA C 58.266 . 1 939 94 94 CYS CB C 27.871 . 1 940 94 94 CYS N N 126.530 . 1 941 95 95 GLY H H 8.042 . 1 942 95 95 GLY HA2 H 4.093 . 2 943 95 95 GLY HA3 H 4.369 . 2 944 95 95 GLY CA C 45.745 . 1 945 95 95 GLY N N 111.186 . 1 946 96 96 PRO HA H 4.303 . 1 947 96 96 PRO HB2 H 1.964 . 2 948 96 96 PRO HB3 H 2.453 . 2 949 96 96 PRO HG2 H 2.052 . 2 950 96 96 PRO HG3 H 1.973 . 2 951 96 96 PRO HD2 H 3.674 . 2 952 96 96 PRO HD3 H 3.719 . 2 953 96 96 PRO CA C 65.086 . 1 954 96 96 PRO CB C 32.691 . 1 955 96 96 PRO CG C 27.124 . 1 956 96 96 PRO CD C 49.949 . 1 957 97 97 LYS H H 8.693 . 1 958 97 97 LYS HA H 4.570 . 1 959 97 97 LYS HB2 H 2.032 . 2 960 97 97 LYS HG2 H 1.369 . 2 961 97 97 LYS HG3 H 1.410 . 2 962 97 97 LYS HD2 H 1.636 . 2 963 97 97 LYS HE2 H 2.963 . 2 964 97 97 LYS CA C 54.882 . 1 965 97 97 LYS CB C 32.699 . 1 966 97 97 LYS CG C 25.374 . 1 967 97 97 LYS CD C 28.904 . 1 968 97 97 LYS CE C 42.248 . 1 969 97 97 LYS N N 114.820 . 1 970 98 98 TYR H H 7.754 . 1 971 98 98 TYR HA H 4.638 . 1 972 98 98 TYR HB2 H 3.138 . 2 973 98 98 TYR HB3 H 2.797 . 2 974 98 98 TYR HD1 H 6.993 . 3 975 98 98 TYR HD2 H 6.626 . 3 976 98 98 TYR HE1 H 6.500 . 3 977 98 98 TYR HE2 H 6.840 . 3 978 98 98 TYR CA C 57.848 . 1 979 98 98 TYR CB C 39.947 . 1 980 98 98 TYR CD1 C 132.947 . 3 981 98 98 TYR CD2 C 131.653 . 3 982 98 98 TYR CE1 C 119.674 . 3 983 98 98 TYR CE2 C 119.198 . 1 984 98 98 TYR N N 125.564 . 1 985 99 99 PRO HA H 3.672 . 1 986 99 99 PRO HB2 H 1.184 . 2 987 99 99 PRO HB3 H 2.371 . 2 988 99 99 PRO HG2 H 1.705 . 2 989 99 99 PRO HG3 H 1.631 . 2 990 99 99 PRO HD2 H 3.672 . 2 991 99 99 PRO HD3 H 3.296 . 2 992 99 99 PRO CA C 63.915 . 1 993 99 99 PRO CB C 32.306 . 1 994 99 99 PRO CG C 24.638 . 1 995 99 99 PRO CD C 49.260 . 1 996 100 100 GLU H H 8.893 . 1 997 100 100 GLU HA H 4.302 . 1 998 100 100 GLU HB2 H 2.186 . 2 999 100 100 GLU HB3 H 2.290 . 2 1000 100 100 GLU HG2 H 2.298 . 2 1001 100 100 GLU HG3 H 2.409 . 2 1002 100 100 GLU CA C 58.297 . 1 1003 100 100 GLU CB C 28.911 . 1 1004 100 100 GLU CG C 36.271 . 1 1005 100 100 GLU N N 125.309 . 1 1006 101 101 ALA H H 7.153 . 1 1007 101 101 ALA HA H 4.522 . 1 1008 101 101 ALA HB H 1.139 . 1 1009 101 101 ALA CA C 48.207 . 1 1010 101 101 ALA CB C 20.720 . 1 1011 101 101 ALA N N 121.279 . 1 1012 102 102 PRO HA H 2.228 . 1 1013 102 102 PRO HB2 H 1.560 . 2 1014 102 102 PRO HG2 H 2.048 . 2 1015 102 102 PRO HG3 H 1.758 . 2 1016 102 102 PRO HD2 H 3.500 . 2 1017 102 102 PRO HD3 H 3.272 . 2 1018 102 102 PRO CA C 59.307 . 1 1019 102 102 PRO CB C 30.868 . 1 1020 102 102 PRO CG C 25.951 . 1 1021 102 102 PRO CD C 49.858 . 1 1022 103 103 PRO HA H 4.746 . 1 1023 103 103 PRO HB2 H 1.545 . 2 1024 103 103 PRO HD2 H 2.555 . 2 1025 103 103 PRO HD3 H 2.445 . 2 1026 103 103 PRO CA C 61.696 . 1 1027 103 103 PRO CB C 32.451 . 1 1028 103 103 PRO CG C 24.930 . 1 1029 103 103 PRO CD C 48.911 . 1 1030 104 104 PHE H H 8.395 . 1 1031 104 104 PHE HA H 4.654 . 1 1032 104 104 PHE HB2 H 3.213 . 2 1033 104 104 PHE HB3 H 3.030 . 2 1034 104 104 PHE HD1 H 7.220 . 1 1035 104 104 PHE HD2 H 7.220 . 1 1036 104 104 PHE HE1 H 7.305 . 1 1037 104 104 PHE HE2 H 7.305 . 1 1038 104 104 PHE HZ H 7.292 . 1 1039 104 104 PHE CA C 56.972 . 1 1040 104 104 PHE CB C 40.819 . 1 1041 104 104 PHE N N 120.024 . 1 1042 105 105 VAL H H 8.341 . 1 1043 105 105 VAL HA H 4.512 . 1 1044 105 105 VAL HB H 1.608 . 1 1045 105 105 VAL HG1 H 0.532 . 2 1046 105 105 VAL HG2 H 0.685 . 2 1047 105 105 VAL CA C 61.253 . 1 1048 105 105 VAL CB C 34.724 . 1 1049 105 105 VAL CG1 C 22.161 . 1 1050 105 105 VAL CG2 C 21.381 . 1 1051 105 105 VAL N N 126.765 . 1 1052 106 106 ARG H H 8.597 . 1 1053 106 106 ARG HA H 5.063 . 1 1054 106 106 ARG HB2 H 1.519 . 2 1055 106 106 ARG HB3 H 1.582 . 2 1056 106 106 ARG HG2 H 1.657 . 2 1057 106 106 ARG HG3 H 1.285 . 2 1058 106 106 ARG HD2 H 3.091 . 2 1059 106 106 ARG HD3 H 3.187 . 2 1060 106 106 ARG CA C 53.821 . 1 1061 106 106 ARG CB C 34.261 . 1 1062 106 106 ARG CG C 26.345 . 1 1063 106 106 ARG CD C 44.110 . 1 1064 106 106 ARG N N 122.717 . 1 1065 107 107 PHE H H 9.649 . 1 1066 107 107 PHE HA H 4.469 . 1 1067 107 107 PHE HB2 H 3.087 . 2 1068 107 107 PHE HB3 H 3.991 . 2 1069 107 107 PHE HD1 H 7.295 . 1 1070 107 107 PHE HD2 H 7.295 . 1 1071 107 107 PHE HE1 H 6.748 . 1 1072 107 107 PHE HE2 H 6.748 . 1 1073 107 107 PHE HZ H 6.556 . 1 1074 107 107 PHE CA C 60.018 . 1 1075 107 107 PHE CB C 39.708 . 1 1076 107 107 PHE CD1 C 132.063 . 1 1077 107 107 PHE CD2 C 132.063 . 1 1078 107 107 PHE CE1 C 130.801 . 1 1079 107 107 PHE CE2 C 130.801 . 1 1080 107 107 PHE CZ C 128.341 . 1 1081 107 107 PHE N N 124.622 . 1 1082 108 108 VAL H H 9.332 . 1 1083 108 108 VAL HA H 4.237 . 1 1084 108 108 VAL HB H 1.972 . 1 1085 108 108 VAL HG1 H 1.121 . 2 1086 108 108 VAL HG2 H 0.973 . 2 1087 108 108 VAL CA C 64.896 . 1 1088 108 108 VAL CB C 32.967 . 1 1089 108 108 VAL CG1 C 21.054 . 1 1090 108 108 VAL CG2 C 22.175 . 1 1091 108 108 VAL N N 122.945 . 1 1092 109 109 THR H H 7.558 . 1 1093 109 109 THR HA H 4.511 . 1 1094 109 109 THR HB H 4.276 . 1 1095 109 109 THR HG2 H 1.526 . 1 1096 109 109 THR CA C 63.355 . 1 1097 109 109 THR CB C 70.808 . 1 1098 109 109 THR CG2 C 22.864 . 1 1099 109 109 THR N N 116.639 . 1 1100 110 110 LYS H H 8.367 . 1 1101 110 110 LYS HA H 3.858 . 1 1102 110 110 LYS HB2 H 1.245 . 2 1103 110 110 LYS HG2 H -0.389 . 2 1104 110 110 LYS HG3 H 0.475 . 2 1105 110 110 LYS HD2 H 1.341 . 2 1106 110 110 LYS HE2 H 2.555 . 2 1107 110 110 LYS HE3 H 2.631 . 2 1108 110 110 LYS CA C 58.769 . 1 1109 110 110 LYS CB C 33.121 . 1 1110 110 110 LYS CG C 25.150 . 1 1111 110 110 LYS CD C 29.956 . 1 1112 110 110 LYS CE C 42.128 . 1 1113 110 110 LYS N N 121.679 . 1 1114 111 111 ILE H H 8.000 . 1 1115 111 111 ILE HA H 4.299 . 1 1116 111 111 ILE HB H 1.476 . 1 1117 111 111 ILE HG12 H 1.530 . 1 1118 111 111 ILE HG13 H 0.592 . 1 1119 111 111 ILE HG2 H -0.098 . 1 1120 111 111 ILE HD1 H -0.342 . 1 1121 111 111 ILE CA C 60.261 . 1 1122 111 111 ILE CB C 41.800 . 1 1123 111 111 ILE CG1 C 30.326 . 1 1124 111 111 ILE CG2 C 13.772 . 1 1125 111 111 ILE CD1 C 14.068 . 1 1126 111 111 ILE N N 120.608 . 1 1127 112 112 ASN H H 8.636 . 1 1128 112 112 ASN HA H 5.250 . 1 1129 112 112 ASN HB2 H 2.693 . 2 1130 112 112 ASN HB3 H 2.925 . 2 1131 112 112 ASN HD21 H 8.070 . 2 1132 112 112 ASN HD22 H 7.024 . 2 1133 112 112 ASN CA C 50.793 . 1 1134 112 112 ASN CB C 38.926 . 1 1135 112 112 ASN N N 124.879 . 1 1136 112 112 ASN ND2 N 110.446 . 1 1137 113 113 MET H H 8.907 . 1 1138 113 113 MET HA H 4.076 . 1 1139 113 113 MET HB2 H 1.540 . 2 1140 113 113 MET HB3 H 1.327 . 2 1141 113 113 MET HG2 H 2.146 . 2 1142 113 113 MET HG3 H 2.324 . 2 1143 113 113 MET HE H 1.800 . 1 1144 113 113 MET CA C 56.301 . 1 1145 113 113 MET CB C 37.100 . 1 1146 113 113 MET CG C 31.986 . 1 1147 113 113 MET CE C 18.191 . 1 1148 113 113 MET N N 127.405 . 1 1149 114 114 ASN H H 8.516 . 1 1150 114 114 ASN HA H 4.425 . 1 1151 114 114 ASN HB2 H 2.630 . 2 1152 114 114 ASN HB3 H 3.042 . 2 1153 114 114 ASN HD21 H 6.848 . 2 1154 114 114 ASN HD22 H 7.557 . 2 1155 114 114 ASN CA C 56.274 . 1 1156 114 114 ASN CB C 38.477 . 1 1157 114 114 ASN N N 125.509 . 1 1158 114 114 ASN ND2 N 114.139 . 1 1159 115 115 GLY H H 8.627 . 1 1160 115 115 GLY HA2 H 3.595 . 2 1161 115 115 GLY HA3 H 4.195 . 2 1162 115 115 GLY CA C 45.212 . 1 1163 115 115 GLY N N 111.058 . 1 1164 116 116 VAL H H 7.698 . 1 1165 116 116 VAL HA H 4.351 . 1 1166 116 116 VAL HB H 1.945 . 1 1167 116 116 VAL HG1 H 0.695 . 2 1168 116 116 VAL HG2 H 0.645 . 2 1169 116 116 VAL CA C 61.079 . 1 1170 116 116 VAL CB C 32.863 . 1 1171 116 116 VAL CG1 C 20.776 . 1 1172 116 116 VAL CG2 C 22.057 . 1 1173 116 116 VAL N N 118.424 . 1 1174 117 117 ASN H H 8.732 . 1 1175 117 117 ASN HA H 4.542 . 1 1176 117 117 ASN HB2 H 2.975 . 2 1177 117 117 ASN HB3 H 3.451 . 2 1178 117 117 ASN HD21 H 7.145 . 2 1179 117 117 ASN HD22 H 7.682 . 2 1180 117 117 ASN CA C 54.627 . 1 1181 117 117 ASN CB C 39.037 . 1 1182 117 117 ASN N N 129.124 . 1 1183 117 117 ASN ND2 N 114.407 . 1 1184 118 118 SER H H 8.990 . 1 1185 118 118 SER HA H 4.548 . 1 1186 118 118 SER HB2 H 4.163 . 2 1187 118 118 SER CA C 60.555 . 1 1188 118 118 SER CB C 63.555 . 1 1189 118 118 SER N N 123.368 . 1 1190 119 119 SER H H 8.927 . 1 1191 119 119 SER HA H 4.709 . 1 1192 119 119 SER HB2 H 3.984 . 2 1193 119 119 SER HB3 H 3.957 . 2 1194 119 119 SER CA C 60.244 . 1 1195 119 119 SER CB C 64.006 . 1 1196 119 119 SER N N 116.971 . 1 1197 120 120 ASN H H 7.240 . 1 1198 120 120 ASN HA H 4.385 . 1 1199 120 120 ASN HB2 H 2.572 . 2 1200 120 120 ASN HB3 H 3.039 . 2 1201 120 120 ASN HD21 H 7.235 . 2 1202 120 120 ASN HD22 H 6.593 . 2 1203 120 120 ASN CA C 52.588 . 1 1204 120 120 ASN CB C 39.922 . 1 1205 120 120 ASN N N 116.894 . 1 1206 120 120 ASN ND2 N 108.236 . 1 1207 121 121 GLY H H 7.889 . 1 1208 121 121 GLY HA2 H 4.287 . 2 1209 121 121 GLY HA3 H 3.327 . 2 1210 121 121 GLY CA C 46.770 . 1 1211 121 121 GLY N N 108.627 . 1 1212 122 122 VAL H H 8.068 . 1 1213 122 122 VAL HA H 3.618 . 1 1214 122 122 VAL HB H 2.086 . 1 1215 122 122 VAL HG1 H 0.941 . 2 1216 122 122 VAL HG2 H 0.933 . 2 1217 122 122 VAL CA C 65.496 . 1 1218 122 122 VAL CB C 32.158 . 1 1219 122 122 VAL CG1 C 21.753 . 1 1220 122 122 VAL CG2 C 22.863 . 1 1221 122 122 VAL N N 122.147 . 1 1222 123 123 VAL H H 8.194 . 1 1223 123 123 VAL HA H 4.186 . 1 1224 123 123 VAL HB H 1.932 . 1 1225 123 123 VAL HG1 H 0.705 . 2 1226 123 123 VAL HG2 H 0.972 . 2 1227 123 123 VAL CA C 62.461 . 1 1228 123 123 VAL CB C 32.109 . 1 1229 123 123 VAL CG1 C 22.405 . 1 1230 123 123 VAL CG2 C 23.200 . 1 1231 123 123 VAL N N 130.631 . 1 1232 124 124 ASP H H 8.794 . 1 1233 124 124 ASP HA H 4.800 . 1 1234 124 124 ASP HB2 H 2.768 . 2 1235 124 124 ASP HB3 H 3.004 . 2 1236 124 124 ASP CA C 51.150 . 1 1237 124 124 ASP CB C 41.707 . 1 1238 124 124 ASP N N 129.537 . 1 1239 125 125 PRO HA H 4.269 . 1 1240 125 125 PRO HB2 H 1.935 . 2 1241 125 125 PRO HB3 H 2.365 . 2 1242 125 125 PRO HG2 H 1.991 . 2 1243 125 125 PRO HG3 H 2.112 . 2 1244 125 125 PRO HD2 H 4.132 . 2 1245 125 125 PRO HD3 H 4.222 . 2 1246 125 125 PRO CA C 64.131 . 1 1247 125 125 PRO CB C 32.252 . 1 1248 125 125 PRO CG C 27.173 . 1 1249 125 125 PRO CD C 51.065 . 1 1250 126 126 ARG H H 7.904 . 1 1251 126 126 ARG HA H 4.016 . 1 1252 126 126 ARG HB2 H 1.855 . 2 1253 126 126 ARG HG2 H 1.728 . 2 1254 126 126 ARG HD2 H 3.292 . 2 1255 126 126 ARG HD3 H 3.218 . 2 1256 126 126 ARG CA C 57.446 . 1 1257 126 126 ARG CB C 30.002 . 1 1258 126 126 ARG CG C 27.097 . 1 1259 126 126 ARG CD C 43.367 . 1 1260 126 126 ARG N N 111.880 . 1 1261 127 127 ALA H H 7.797 . 1 1262 127 127 ALA HA H 4.306 . 1 1263 127 127 ALA HB H 1.530 . 1 1264 127 127 ALA CA C 52.691 . 1 1265 127 127 ALA CB C 21.110 . 1 1266 127 127 ALA N N 119.012 . 1 1267 128 128 ILE H H 7.087 . 1 1268 128 128 ILE HA H 4.509 . 1 1269 128 128 ILE HB H 2.051 . 1 1270 128 128 ILE HG12 H 1.611 . 1 1271 128 128 ILE HG13 H 1.194 . 1 1272 128 128 ILE HG2 H 0.897 . 1 1273 128 128 ILE HD1 H 0.690 . 1 1274 128 128 ILE CA C 57.712 . 1 1275 128 128 ILE CB C 38.033 . 1 1276 128 128 ILE CG1 C 26.825 . 1 1277 128 128 ILE CG2 C 18.032 . 1 1278 128 128 ILE CD1 C 10.700 . 1 1279 128 128 ILE N N 117.013 . 1 1280 129 129 SER HA H 4.096 . 1 1281 129 129 SER HB2 H 3.911 . 2 1282 129 129 SER HB3 H 4.012 . 2 1283 129 129 SER CA C 62.919 . 1 1284 129 129 SER CB C 62.448 . 1 1285 130 130 VAL H H 7.557 . 1 1286 130 130 VAL HA H 4.055 . 1 1287 130 130 VAL HB H 1.951 . 1 1288 130 130 VAL HG1 H 0.688 . 2 1289 130 130 VAL HG2 H 0.732 . 2 1290 130 130 VAL CA C 64.093 . 1 1291 130 130 VAL CB C 31.397 . 1 1292 130 130 VAL CG1 C 21.206 . 1 1293 130 130 VAL CG2 C 20.646 . 1 1294 130 130 VAL N N 113.805 . 1 1295 131 131 LEU H H 7.035 . 1 1296 131 131 LEU HA H 4.835 . 1 1297 131 131 LEU HB2 H 1.488 . 2 1298 131 131 LEU HB3 H 2.336 . 2 1299 131 131 LEU HG H 1.620 . 1 1300 131 131 LEU HD1 H 0.941 . 2 1301 131 131 LEU HD2 H 0.855 . 2 1302 131 131 LEU CA C 56.355 . 1 1303 131 131 LEU CB C 41.859 . 1 1304 131 131 LEU CG C 27.480 . 1 1305 131 131 LEU CD1 C 22.978 . 1 1306 131 131 LEU CD2 C 25.176 . 1 1307 131 131 LEU N N 114.178 . 1 1308 132 132 ALA H H 8.576 . 1 1309 132 132 ALA HA H 4.026 . 1 1310 132 132 ALA HB H 1.496 . 1 1311 132 132 ALA CA C 55.059 . 1 1312 132 132 ALA CB C 19.127 . 1 1313 132 132 ALA N N 124.886 . 1 1314 133 133 LYS H H 8.229 . 1 1315 133 133 LYS HA H 4.717 . 1 1316 133 133 LYS HB2 H 1.769 . 2 1317 133 133 LYS HB3 H 1.932 . 2 1318 133 133 LYS HG2 H 1.416 . 2 1319 133 133 LYS HD2 H 1.690 . 2 1320 133 133 LYS HE2 H 2.979 . 2 1321 133 133 LYS CA C 53.673 . 1 1322 133 133 LYS CB C 31.079 . 1 1323 133 133 LYS CG C 24.628 . 1 1324 133 133 LYS CD C 29.316 . 1 1325 133 133 LYS CE C 42.273 . 1 1326 133 133 LYS N N 118.163 . 1 1327 134 134 TRP H H 7.047 . 1 1328 134 134 TRP HA H 4.629 . 1 1329 134 134 TRP HB2 H 2.905 . 2 1330 134 134 TRP HB3 H 3.694 . 2 1331 134 134 TRP HD1 H 6.612 . 1 1332 134 134 TRP HE1 H 10.013 . 1 1333 134 134 TRP HZ2 H 6.927 . 1 1334 134 134 TRP HZ3 H 6.667 . 1 1335 134 134 TRP HH2 H 6.762 . 1 1336 134 134 TRP CA C 59.737 . 1 1337 134 134 TRP CB C 30.665 . 1 1338 134 134 TRP CD1 C 127.549 . 1 1339 134 134 TRP CZ2 C 115.708 . 1 1340 134 134 TRP CZ3 C 121.105 . 1 1341 134 134 TRP CH2 C 124.133 . 1 1342 134 134 TRP N N 122.301 . 1 1343 134 134 TRP NE1 N 133.962 . 1 1344 135 135 GLN H H 5.177 . 1 1345 135 135 GLN HA H 4.260 . 1 1346 135 135 GLN HB2 H 0.410 . 2 1347 135 135 GLN HB3 H 1.640 . 2 1348 135 135 GLN HG2 H 1.640 . 2 1349 135 135 GLN HG3 H 1.686 . 2 1350 135 135 GLN HE21 H 6.833 . 2 1351 135 135 GLN HE22 H 6.644 . 2 1352 135 135 GLN CA C 52.317 . 1 1353 135 135 GLN CB C 31.694 . 1 1354 135 135 GLN CG C 32.646 . 1 1355 135 135 GLN N N 123.958 . 1 1356 135 135 GLN NE2 N 111.891 . 1 1357 136 136 ASN H H 8.499 . 1 1358 136 136 ASN HA H 4.283 . 1 1359 136 136 ASN HB2 H 2.754 . 2 1360 136 136 ASN HB3 H 2.607 . 2 1361 136 136 ASN HD21 H 8.537 . 2 1362 136 136 ASN HD22 H 6.689 . 2 1363 136 136 ASN CA C 54.050 . 1 1364 136 136 ASN CB C 37.437 . 1 1365 136 136 ASN N N 116.945 . 1 1366 136 136 ASN ND2 N 113.295 . 1 1367 137 137 SER H H 6.601 . 1 1368 137 137 SER HA H 4.223 . 1 1369 137 137 SER HB2 H 3.615 . 2 1370 137 137 SER HB3 H 3.901 . 2 1371 137 137 SER CA C 57.656 . 1 1372 137 137 SER CB C 63.023 . 1 1373 137 137 SER N N 109.017 . 1 1374 138 138 TYR H H 7.253 . 1 1375 138 138 TYR HA H 4.468 . 1 1376 138 138 TYR HB2 H 1.395 . 2 1377 138 138 TYR HB3 H 2.224 . 2 1378 138 138 TYR HD1 H 6.740 . 1 1379 138 138 TYR HD2 H 6.740 . 1 1380 138 138 TYR HE1 H 6.796 . 1 1381 138 138 TYR HE2 H 6.796 . 1 1382 138 138 TYR CA C 53.813 . 1 1383 138 138 TYR CB C 34.960 . 1 1384 138 138 TYR N N 123.054 . 1 1385 139 139 SER H H 6.418 . 1 1386 139 139 SER HA H 5.077 . 1 1387 139 139 SER HB2 H 3.728 . 2 1388 139 139 SER HB3 H 3.916 . 2 1389 139 139 SER CA C 56.305 . 1 1390 139 139 SER CB C 65.310 . 1 1391 139 139 SER N N 107.729 . 1 1392 140 140 ILE H H 9.657 . 1 1393 140 140 ILE HA H 2.975 . 1 1394 140 140 ILE HB H 0.691 . 1 1395 140 140 ILE HG12 H -0.130 . 1 1396 140 140 ILE HG13 H 1.419 . 1 1397 140 140 ILE HG2 H 0.180 . 1 1398 140 140 ILE HD1 H -0.704 . 1 1399 140 140 ILE CA C 67.050 . 1 1400 140 140 ILE CB C 37.702 . 1 1401 140 140 ILE CG1 C 29.150 . 1 1402 140 140 ILE CG2 C 17.100 . 1 1403 140 140 ILE CD1 C 11.729 . 1 1404 140 140 ILE N N 123.780 . 1 1405 141 141 LYS H H 7.669 . 1 1406 141 141 LYS HA H 2.792 . 1 1407 141 141 LYS HB2 H 0.724 . 2 1408 141 141 LYS HB3 H 1.011 . 2 1409 141 141 LYS HG2 H 0.895 . 2 1410 141 141 LYS HG3 H 1.021 . 2 1411 141 141 LYS HD2 H 1.693 . 2 1412 141 141 LYS HD3 H 1.578 . 2 1413 141 141 LYS HE2 H 2.741 . 2 1414 141 141 LYS HE3 H 2.908 . 2 1415 141 141 LYS CA C 59.908 . 1 1416 141 141 LYS CB C 31.465 . 1 1417 141 141 LYS CG C 23.525 . 1 1418 141 141 LYS CD C 29.427 . 1 1419 141 141 LYS CE C 41.577 . 1 1420 141 141 LYS N N 118.009 . 1 1421 142 142 VAL H H 6.927 . 1 1422 142 142 VAL HA H 3.571 . 1 1423 142 142 VAL HB H 1.901 . 1 1424 142 142 VAL HG1 H 0.455 . 2 1425 142 142 VAL HG2 H 0.926 . 2 1426 142 142 VAL CA C 65.767 . 1 1427 142 142 VAL CB C 32.415 . 1 1428 142 142 VAL CG1 C 20.323 . 1 1429 142 142 VAL CG2 C 22.900 . 1 1430 142 142 VAL N N 116.808 . 1 1431 143 143 VAL H H 7.585 . 1 1432 143 143 VAL HA H 3.342 . 1 1433 143 143 VAL HB H 2.251 . 1 1434 143 143 VAL HG1 H 0.760 . 2 1435 143 143 VAL HG2 H 1.148 . 2 1436 143 143 VAL CA C 67.117 . 1 1437 143 143 VAL CB C 31.491 . 1 1438 143 143 VAL CG1 C 21.108 . 1 1439 143 143 VAL CG2 C 23.999 . 1 1440 143 143 VAL N N 119.172 . 1 1441 144 144 LEU H H 8.012 . 1 1442 144 144 LEU HA H 3.850 . 1 1443 144 144 LEU HB2 H 1.305 . 2 1444 144 144 LEU HB3 H 1.774 . 2 1445 144 144 LEU HG H 1.736 . 1 1446 144 144 LEU HD1 H 1.029 . 2 1447 144 144 LEU HD2 H 0.658 . 2 1448 144 144 LEU CA C 58.243 . 1 1449 144 144 LEU CB C 41.366 . 1 1450 144 144 LEU CG C 26.690 . 1 1451 144 144 LEU CD1 C 27.888 . 1 1452 144 144 LEU CD2 C 22.957 . 1 1453 144 144 LEU N N 117.108 . 1 1454 145 145 GLN H H 8.668 . 1 1455 145 145 GLN HA H 3.889 . 1 1456 145 145 GLN HB2 H 2.198 . 2 1457 145 145 GLN HB3 H 1.915 . 2 1458 145 145 GLN HG2 H 2.620 . 2 1459 145 145 GLN HG3 H 2.305 . 2 1460 145 145 GLN HE21 H 6.765 . 2 1461 145 145 GLN HE22 H 7.314 . 2 1462 145 145 GLN CA C 59.472 . 1 1463 145 145 GLN CB C 28.550 . 1 1464 145 145 GLN CG C 35.201 . 1 1465 145 145 GLN N N 116.369 . 1 1466 145 145 GLN NE2 N 109.981 . 1 1467 146 146 GLU H H 8.278 . 1 1468 146 146 GLU HA H 4.341 . 1 1469 146 146 GLU HB2 H 1.918 . 2 1470 146 146 GLU HB3 H 2.043 . 2 1471 146 146 GLU HG2 H 2.278 . 2 1472 146 146 GLU HG3 H 2.148 . 2 1473 146 146 GLU CA C 58.534 . 1 1474 146 146 GLU CB C 28.819 . 1 1475 146 146 GLU CG C 35.907 . 1 1476 146 146 GLU N N 120.988 . 1 1477 147 147 LEU H H 8.240 . 1 1478 147 147 LEU HA H 3.985 . 1 1479 147 147 LEU HB2 H 1.017 . 2 1480 147 147 LEU HB3 H 2.044 . 2 1481 147 147 LEU HG H 1.821 . 1 1482 147 147 LEU HD1 H 0.575 . 2 1483 147 147 LEU HD2 H 0.778 . 2 1484 147 147 LEU CA C 58.431 . 1 1485 147 147 LEU CB C 41.976 . 1 1486 147 147 LEU CG C 26.943 . 1 1487 147 147 LEU CD1 C 26.614 . 1 1488 147 147 LEU CD2 C 23.058 . 1 1489 147 147 LEU N N 120.448 . 1 1490 148 148 ARG H H 7.915 . 1 1491 148 148 ARG HA H 4.189 . 1 1492 148 148 ARG HB2 H 1.602 . 2 1493 148 148 ARG HB3 H 1.921 . 2 1494 148 148 ARG HD2 H 3.264 . 2 1495 148 148 ARG CA C 59.403 . 1 1496 148 148 ARG CB C 29.579 . 1 1497 148 148 ARG CD C 43.415 . 1 1498 148 148 ARG N N 117.643 . 1 1499 149 149 ARG H H 8.033 . 1 1500 149 149 ARG HA H 4.017 . 1 1501 149 149 ARG HB2 H 2.020 . 2 1502 149 149 ARG HB3 H 1.927 . 2 1503 149 149 ARG HG2 H 1.737 . 2 1504 149 149 ARG HG3 H 1.560 . 2 1505 149 149 ARG HD2 H 3.303 . 2 1506 149 149 ARG HD3 H 3.119 . 2 1507 149 149 ARG CA C 59.613 . 1 1508 149 149 ARG CB C 30.124 . 1 1509 149 149 ARG CG C 27.968 . 1 1510 149 149 ARG CD C 43.011 . 1 1511 149 149 ARG N N 119.060 . 1 1512 150 150 LEU H H 8.368 . 1 1513 150 150 LEU HA H 4.112 . 1 1514 150 150 LEU HB2 H 1.497 . 2 1515 150 150 LEU HB3 H 1.945 . 2 1516 150 150 LEU HG H 1.858 . 1 1517 150 150 LEU HD1 H 1.035 . 2 1518 150 150 LEU HD2 H 0.948 . 2 1519 150 150 LEU CA C 57.695 . 1 1520 150 150 LEU CB C 41.594 . 1 1521 150 150 LEU CG C 27.200 . 1 1522 150 150 LEU CD1 C 25.908 . 1 1523 150 150 LEU CD2 C 22.800 . 1 1524 150 150 LEU N N 121.922 . 1 1525 151 151 MET H H 7.650 . 1 1526 151 151 MET HA H 3.768 . 1 1527 151 151 MET HB2 H 1.778 . 2 1528 151 151 MET HB3 H 2.296 . 2 1529 151 151 MET HG2 H 1.220 . 2 1530 151 151 MET HG3 H 2.539 . 2 1531 151 151 MET HE H 1.249 . 1 1532 151 151 MET CA C 59.383 . 1 1533 151 151 MET CB C 32.345 . 1 1534 151 151 MET CG C 34.135 . 1 1535 151 151 MET CE C 18.374 . 1 1536 151 151 MET N N 122.291 . 1 1537 152 152 MET H H 7.261 . 1 1538 152 152 MET HA H 4.458 . 1 1539 152 152 MET HB2 H 2.268 . 2 1540 152 152 MET HG2 H 2.706 . 2 1541 152 152 MET HG3 H 2.561 . 2 1542 152 152 MET HE H 2.162 . 1 1543 152 152 MET CA C 55.396 . 1 1544 152 152 MET CB C 33.763 . 1 1545 152 152 MET CG C 32.704 . 1 1546 152 152 MET CE C 17.553 . 1 1547 152 152 MET N N 109.924 . 1 1548 153 153 SER H H 7.794 . 1 1549 153 153 SER HA H 4.470 . 1 1550 153 153 SER HB2 H 4.247 . 2 1551 153 153 SER HB3 H 4.189 . 2 1552 153 153 SER CA C 58.694 . 1 1553 153 153 SER CB C 64.410 . 1 1554 153 153 SER N N 115.532 . 1 1555 154 154 LYS HA H 4.062 . 1 1556 154 154 LYS HB2 H 1.904 . 2 1557 154 154 LYS HB3 H 1.982 . 2 1558 154 154 LYS HG2 H 1.559 . 2 1559 154 154 LYS HD2 H 1.765 . 2 1560 154 154 LYS HE2 H 3.057 . 2 1561 154 154 LYS C C 178.181 . 1 1562 154 154 LYS CA C 60.047 . 1 1563 154 154 LYS CB C 32.346 . 1 1564 154 154 LYS CG C 24.688 . 1 1565 154 154 LYS CD C 29.401 . 1 1566 154 154 LYS CE C 42.047 . 1 1567 155 155 GLU H H 9.125 . 1 1568 155 155 GLU HA H 4.158 . 1 1569 155 155 GLU HB2 H 1.991 . 2 1570 155 155 GLU HG2 H 2.275 . 2 1571 155 155 GLU HG3 H 2.336 . 2 1572 155 155 GLU CA C 58.888 . 1 1573 155 155 GLU CB C 28.972 . 1 1574 155 155 GLU CG C 36.279 . 1 1575 155 155 GLU N N 116.795 . 1 1576 156 156 ASN H H 7.530 . 1 1577 156 156 ASN HA H 5.280 . 1 1578 156 156 ASN HB2 H 2.856 . 2 1579 156 156 ASN HB3 H 3.690 . 2 1580 156 156 ASN HD21 H 7.504 . 2 1581 156 156 ASN HD22 H 7.870 . 2 1582 156 156 ASN CA C 54.313 . 1 1583 156 156 ASN CB C 41.055 . 1 1584 156 156 ASN N N 115.852 . 1 1585 156 156 ASN ND2 N 117.145 . 1 1586 157 157 MET H H 7.887 . 1 1587 157 157 MET HA H 4.480 . 1 1588 157 157 MET HB2 H 2.272 . 2 1589 157 157 MET HG2 H 2.467 . 2 1590 157 157 MET HG3 H 2.823 . 2 1591 157 157 MET HE H 2.187 . 1 1592 157 157 MET CA C 59.742 . 1 1593 157 157 MET CB C 33.419 . 1 1594 157 157 MET CG C 31.313 . 1 1595 157 157 MET CE C 17.575 . 1 1596 157 157 MET N N 113.779 . 1 1597 158 158 LYS H H 8.535 . 1 1598 158 158 LYS HA H 4.484 . 1 1599 158 158 LYS HB2 H 1.697 . 2 1600 158 158 LYS HB3 H 2.040 . 2 1601 158 158 LYS HG2 H 1.412 . 2 1602 158 158 LYS HD2 H 1.715 . 2 1603 158 158 LYS HE2 H 3.012 . 2 1604 158 158 LYS CA C 55.138 . 1 1605 158 158 LYS CB C 33.053 . 1 1606 158 158 LYS CG C 25.315 . 1 1607 158 158 LYS CD C 29.427 . 1 1608 158 158 LYS CE C 42.162 . 1 1609 158 158 LYS N N 119.139 . 1 1610 159 159 LEU H H 7.578 . 1 1611 159 159 LEU HA H 4.330 . 1 1612 159 159 LEU HB2 H 1.175 . 2 1613 159 159 LEU HB3 H 1.690 . 2 1614 159 159 LEU HG H 1.880 . 1 1615 159 159 LEU HD1 H 1.012 . 2 1616 159 159 LEU HD2 H 0.929 . 2 1617 159 159 LEU CA C 53.484 . 1 1618 159 159 LEU CB C 41.485 . 1 1619 159 159 LEU CG C 26.786 . 1 1620 159 159 LEU CD1 C 26.786 . 1 1621 159 159 LEU CD2 C 22.885 . 1 1622 159 159 LEU N N 125.277 . 1 1623 160 160 PRO HA H 4.346 . 1 1624 160 160 PRO HB2 H 1.859 . 2 1625 160 160 PRO HB3 H 2.245 . 2 1626 160 160 PRO HG2 H 2.022 . 2 1627 160 160 PRO HG3 H 2.055 . 2 1628 160 160 PRO HD2 H 3.976 . 2 1629 160 160 PRO HD3 H 3.571 . 2 1630 160 160 PRO CA C 62.961 . 1 1631 160 160 PRO CB C 31.830 . 1 1632 160 160 PRO CG C 27.718 . 1 1633 160 160 PRO CD C 50.276 . 1 1634 161 161 GLN H H 8.695 . 1 1635 161 161 GLN HA H 4.618 . 1 1636 161 161 GLN HB2 H 1.755 . 2 1637 161 161 GLN HB3 H 2.376 . 2 1638 161 161 GLN HG2 H 2.495 . 2 1639 161 161 GLN HG3 H 1.888 . 2 1640 161 161 GLN HE21 H 7.649 . 2 1641 161 161 GLN HE22 H 8.551 . 2 1642 161 161 GLN CA C 52.636 . 1 1643 161 161 GLN CB C 30.221 . 1 1644 161 161 GLN CG C 33.971 . 1 1645 161 161 GLN N N 121.029 . 1 1646 161 161 GLN NE2 N 124.302 . 1 1647 162 162 PRO HA H 4.787 . 1 1648 162 162 PRO HB2 H 1.716 . 2 1649 162 162 PRO HB3 H 2.363 . 2 1650 162 162 PRO HG2 H 1.604 . 2 1651 162 162 PRO HG3 H 1.765 . 2 1652 162 162 PRO HD2 H 3.526 . 2 1653 162 162 PRO CA C 61.130 . 1 1654 162 162 PRO CB C 30.422 . 1 1655 162 162 PRO CG C 26.845 . 1 1656 162 162 PRO CD C 50.292 . 1 1657 163 163 PRO HA H 4.321 . 1 1658 163 163 PRO HB2 H 1.696 . 2 1659 163 163 PRO HB3 H 2.372 . 2 1660 163 163 PRO HG2 H 2.013 . 2 1661 163 163 PRO HG3 H 1.954 . 2 1662 163 163 PRO HD2 H 3.792 . 2 1663 163 163 PRO HD3 H 3.326 . 2 1664 163 163 PRO CA C 63.146 . 1 1665 163 163 PRO CB C 32.251 . 1 1666 163 163 PRO CG C 27.900 . 1 1667 163 163 PRO CD C 50.500 . 1 1668 164 164 GLU H H 8.528 . 1 1669 164 164 GLU HA H 4.030 . 1 1670 164 164 GLU HB2 H 1.916 . 2 1671 164 164 GLU HG2 H 2.208 . 2 1672 164 164 GLU HG3 H 2.243 . 2 1673 164 164 GLU CA C 57.700 . 1 1674 164 164 GLU CB C 30.070 . 1 1675 164 164 GLU CG C 36.270 . 1 1676 164 164 GLU N N 122.935 . 1 1677 165 165 GLY H H 8.937 . 1 1678 165 165 GLY HA2 H 4.202 . 2 1679 165 165 GLY HA3 H 3.741 . 2 1680 165 165 GLY CA C 45.399 . 1 1681 165 165 GLY N N 112.454 . 1 1682 166 166 GLN H H 7.459 . 1 1683 166 166 GLN HA H 4.376 . 1 1684 166 166 GLN HB2 H 1.829 . 2 1685 166 166 GLN HB3 H 1.876 . 2 1686 166 166 GLN HG2 H 2.257 . 2 1687 166 166 GLN HG3 H 2.440 . 2 1688 166 166 GLN HE21 H 7.534 . 2 1689 166 166 GLN HE22 H 6.886 . 2 1690 166 166 GLN CA C 56.378 . 1 1691 166 166 GLN CB C 30.004 . 1 1692 166 166 GLN CG C 34.530 . 1 1693 166 166 GLN N N 119.244 . 1 1694 166 166 GLN NE2 N 111.238 . 1 1695 167 167 CYS H H 8.666 . 1 1696 167 167 CYS HA H 5.223 . 1 1697 167 167 CYS HB2 H 2.923 . 2 1698 167 167 CYS HB3 H 2.829 . 2 1699 167 167 CYS CA C 57.419 . 1 1700 167 167 CYS CB C 31.582 . 1 1701 167 167 CYS N N 119.651 . 1 1702 168 168 TYR H H 8.412 . 1 1703 168 168 TYR HA H 4.334 . 1 1704 168 168 TYR HB2 H 3.279 . 2 1705 168 168 TYR HB3 H 2.774 . 2 1706 168 168 TYR HD1 H 7.166 . 1 1707 168 168 TYR HD2 H 7.166 . 1 1708 168 168 TYR HE1 H 6.780 . 1 1709 168 168 TYR HE2 H 6.780 . 1 1710 168 168 TYR CA C 60.233 . 1 1711 168 168 TYR CB C 38.932 . 1 1712 168 168 TYR N N 120.447 . 1 1713 169 169 SER HA H 4.530 . 1 1714 169 169 SER HB2 H 3.968 . 2 1715 169 169 SER CA C 58.354 . 1 1716 169 169 SER CB C 64.081 . 1 1717 170 170 ASN H H 8.132 . 1 1718 170 170 ASN HA H 4.537 . 1 1719 170 170 ASN HB2 H 2.734 . 2 1720 170 170 ASN HB3 H 2.809 . 2 1721 170 170 ASN HD21 H 7.507 . 2 1722 170 170 ASN HD22 H 6.845 . 2 1723 170 170 ASN CA C 54.953 . 1 1724 170 170 ASN CB C 40.567 . 1 1725 170 170 ASN N N 125.797 . 1 1726 170 170 ASN ND2 N 112.400 . 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name hUev1a _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 34 VAL H 34 VAL HA 6.90 . . 0.50 2 3JHNHA 42 GLU H 42 GLU HA 4.80 . . 0.50 3 3JHNHA 44 LEU H 44 LEU HA 4.70 . . 0.50 4 3JHNHA 46 GLU H 46 GLU HA 3.90 . . 0.50 5 3JHNHA 55 THR H 55 THR HA 5.50 . . 0.50 6 3JHNHA 56 VAL H 56 VAL HA 7.40 . . 0.50 7 3JHNHA 57 SER H 57 SER HA 6.60 . . 0.50 8 3JHNHA 63 ASP H 63 ASP HA 4.40 . . 0.50 9 3JHNHA 64 GLU H 64 GLU HA 7.60 . . 0.50 10 3JHNHA 67 THR H 67 THR HA 7.60 . . 0.50 11 3JHNHA 68 LEU H 68 LEU HA 7.20 . . 0.50 12 3JHNHA 71 TRP H 71 TRP HA 8.00 . . 0.50 13 3JHNHA 72 THR H 72 THR HA 8.90 . . 0.50 14 3JHNHA 74 MET H 74 MET HA 7.70 . . 0.50 15 3JHNHA 75 ILE H 75 ILE HA 8.10 . . 0.50 16 3JHNHA 83 TYR H 83 TYR HA 6.40 . . 0.50 17 3JHNHA 85 ASN H 85 ASN HA 6.40 . . 0.50 18 3JHNHA 88 TYR H 88 TYR HA 6.80 . . 0.50 19 3JHNHA 89 SER H 89 SER HA 9.00 . . 0.50 20 3JHNHA 90 LEU H 90 LEU HA 7.10 . . 0.50 21 3JHNHA 91 LYS H 91 LYS HA 7.70 . . 0.50 22 3JHNHA 92 ILE H 92 ILE HA 7.30 . . 0.50 23 3JHNHA 93 GLU H 93 GLU HA 7.90 . . 0.50 24 3JHNHA 104 PHE H 104 PHE HA 8.50 . . 0.50 25 3JHNHA 105 VAL H 105 VAL HA 8.20 . . 0.50 26 3JHNHA 106 ARG H 106 ARG HA 6.10 . . 0.50 27 3JHNHA 109 THR H 109 THR HA 5.00 . . 0.50 28 3JHNHA 113 MET H 113 MET HA 5.20 . . 0.50 29 3JHNHA 114 ASN H 114 ASN HA 2.90 . . 0.50 30 3JHNHA 117 ASN H 117 ASN HA 4.20 . . 0.50 31 3JHNHA 120 ASN H 120 ASN HA 8.80 . . 0.50 32 3JHNHA 123 VAL H 123 VAL HA 6.40 . . 0.50 33 3JHNHA 124 ASP H 124 ASP HA 4.50 . . 0.50 34 3JHNHA 126 ARG H 126 ARG HA 5.90 . . 0.50 35 3JHNHA 130 VAL H 130 VAL HA 2.30 . . 0.50 36 3JHNHA 131 LEU H 131 LEU HA 7.50 . . 0.50 37 3JHNHA 132 ALA H 132 ALA HA 3.30 . . 0.50 38 3JHNHA 133 LYS H 133 LYS HA 9.40 . . 0.50 39 3JHNHA 134 TRP H 134 TRP HA 2.80 . . 0.50 40 3JHNHA 137 SER H 137 SER HA 6.80 . . 0.50 41 3JHNHA 138 TYR H 138 TYR HA 6.00 . . 0.50 42 3JHNHA 139 SER H 139 SER HA 7.40 . . 0.50 43 3JHNHA 142 VAL H 142 VAL HA 4.40 . . 0.50 44 3JHNHA 144 LEU H 144 LEU HA 4.40 . . 0.50 45 3JHNHA 145 GLN H 145 GLN HA 3.70 . . 0.50 46 3JHNHA 149 ARG H 149 ARG HA 4.00 . . 0.50 47 3JHNHA 152 MET H 152 MET HA 6.50 . . 0.50 48 3JHNHA 153 SER H 153 SER HA 4.90 . . 0.50 49 3JHNHA 155 GLU H 155 GLU HA 4.20 . . 0.50 50 3JHNHA 156 ASN H 156 ASN HA 7.80 . . 0.50 51 3JHNHA 158 LYS H 158 LYS HA 8.80 . . 0.50 52 3JHNHA 159 LEU H 159 LEU HA 3.50 . . 0.50 53 3JHNHA 161 GLN H 161 GLN HA 6.90 . . 0.50 54 3JHNHA 164 GLU H 164 GLU HA 2.50 . . 0.50 55 3JHNHA 166 GLN H 166 GLN HA 5.50 . . 0.50 56 3JHNHA 167 CYS H 167 CYS HA 6.30 . . 0.50 stop_ save_ save_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type N15 _T1_value_units ms _Mol_system_component_name hUev1a _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 134 TRP N1 843.8 4.71 2 123 VAL N 722.1 23.8 3 24 PRO N 835 29 4 71 TRP N1 906.1 13.9 5 117 ASN N 729.7 16.9 6 88 TYR N 690.3 15.4 7 113 MET N 731.3 9.94 8 58 TRP N1 944.4 14.4 9 76 ILE N 718.2 25 10 105 VAL N 730.1 26.6 11 71 TRP N 794.4 22.6 12 93 GLU N 867.2 25.7 13 94 CYS N 755.4 18.3 14 66 MET N 660.5 32.9 15 170 ASN N 589.1 13.5 16 98 TYR N 688.7 12.1 17 114 ASN N 718.5 33.7 18 100 GLU N 658.8 8.26 19 159 LEU N 821.4 18.6 20 44 LEU N 824.8 36.1 21 33 LYS N 539.5 21.4 22 112 ASN N 706.3 20.5 23 132 ALA N 806.2 6.78 24 107 PHE N 748.2 15.2 25 90 LEU N 793.3 17.1 26 92 ILE N 824.8 40.6 27 34 VAL N 670.5 13.8 28 63 ASP N 710.5 13.9 29 140 ILE N 716 17.6 30 61 GLU N 735.8 12.6 31 118 SER N 622.5 47.9 32 36 ARG N 597 40.2 33 138 TYR N 651.7 4.28 34 74 MET N 828.2 24.7 35 108 VAL N 739.3 33.5 36 164 GLU N 752.3 12.5 37 10 LEU N 431.1 27 38 151 MET N 761.8 19.2 39 134 TRP N 755.8 14.3 40 122 VAL N 674.6 27.4 41 150 LEU N 758.2 18.8 42 82 ILE N 659.5 12 43 42 GLU N 686.4 12.3 44 75 ILE N 781 34.8 45 110 LYS N 712.4 6.47 46 86 ARG N 820.8 26.3 47 91 LYS N 796.1 22.4 48 5 VAL N 545.9 28.1 49 101 ALA N 866.4 18 50 161 GLN N 730.8 30.2 51 146 GLU N 837.5 40.1 52 87 ILE N 809.8 37.1 53 19 GLU N 500.8 20 54 41 LEU N 799.6 24.2 55 147 LEU N 784.4 15.2 56 27 PHE N 533.6 27.6 57 43 GLU N 700.1 20.3 58 21 ARG N 465.8 20.5 59 104 PHE N 745.4 10.4 60 58 TRP N 735.9 6.2 61 53 ASP N 523.6 32.1 62 39 ARG N 713.2 18.9 63 48 GLN N 875.8 31.3 64 83 TYR N 742.1 8.83 65 166 GLN N 732.1 13.3 66 158 LYS N 645.3 22.5 67 46 GLU N 780.4 25 68 143 VAL N 871 18.4 69 32 VAL N 572 18.2 70 70 ARG N 787.2 25.7 71 149 ARG N 732.5 19 72 127 ALA N 745.1 14.5 73 49 LYS N 719.4 5.77 74 84 GLU N 744.7 28.8 75 116 VAL N 833.8 21.9 76 38 PHE N 732.4 13.8 77 133 LYS N 855.9 21.5 78 141 LYS N 813.7 21.1 79 77 GLY N 711.4 36.8 80 62 ASP N 720.3 4.87 81 148 ARG N 836.8 8.05 82 89 SER N 813.3 7.19 83 85 ASN N 820.5 8.68 84 64 GLU N 704.7 16 85 68 LEU N 660.2 16.9 86 72 THR N 802.4 21.4 87 144 LEU N 815.7 13.1 88 128 ILE N 871.2 14.8 89 119 SER N 531.9 25 90 136 ASN N 627.6 11.4 91 120 ASN N 614.3 12.9 92 142 VAL N 735.6 10.3 93 155 GLU N 592.5 9.1 94 109 THR N 755.5 13.5 95 145 GLN N 947.1 29 96 57 SER N 830.3 16.1 97 156 ASN N 728.1 26.9 98 51 VAL N 548.8 5.92 99 153 SER N 683.7 13.7 100 97 LYS N 605.8 13 101 131 LEU N 864.9 21.7 102 157 MET N 688.2 10.2 103 130 VAL N 693.2 12.5 104 69 THR N 750.2 24.4 105 80 ARG N 789.8 27.5 106 165 GLY N 660.6 16.7 107 126 ARG N 775.6 50.1 108 95 GLY N 613.7 16.1 109 115 GLY N 702.9 27.7 110 56 VAL N 751.9 18.6 111 152 MET N 807.1 41.2 112 55 THR N 614.4 4.68 113 67 THR N 672.9 14.1 114 20 GLY N 512.7 17.4 115 137 SER N 663 7.79 116 121 GLY N 729.5 13.4 117 73 GLY N 679.3 7.08 118 139 SER N 844.7 23.1 119 54 GLY N 608.2 29.2 120 47 GLY N 815.7 8.94 121 50 GLY N 600.4 21.2 122 81 THR N 811.1 14.4 123 59 GLY N 748.2 20.8 124 135 GLN N 785.8 23.6 125 65 ASP N 758 12 stop_ save_ save_T1_list_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type N15 _T1_value_units ms _Mol_system_component_name hUev1a _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 134 TRP N1 640.1 24.9 2 123 VAL N 618.9 24.7 3 124 ASP N 695.3 27.3 4 71 TRP N1 609.6 27.7 5 117 ASN N 602 24.2 6 88 TYR N 537.7 21 7 113 MET N 543.3 10.6 8 58 TRP N1 652.9 20.9 9 76 ILE N 578.3 24.9 10 105 VAL N 582.5 21.5 11 71 TRP N 549.8 8.61 12 93 GLU N 624.1 26.4 13 94 CYS N 560.1 27.6 14 66 MET N 505.8 34.9 15 170 ASN N 551.2 19.6 16 98 TYR N 528.7 9.79 17 114 ASN N 592.8 29.2 18 159 LEU N 562.7 19.3 19 100 GLU N 533.7 16.1 20 44 LEU N 627.6 20.8 21 33 LYS N 490 20.2 22 112 ASN N 517.7 26.3 23 132 ALA N 614.1 19.1 24 107 PHE N 588.2 24 25 90 LEU N 525.1 28.4 26 92 ILE N 617.5 24.3 27 34 VAL N 515 25.7 28 135 GLN N 640.6 64.1 29 63 ASP N 568.1 9.25 30 140 ILE N 553.6 57.1 31 61 GLU N 565.9 10.3 32 36 ARG N 468.3 50.2 33 118 SER N 570.8 71.6 34 138 TYR N 537.3 22.9 35 108 VAL N 524.2 55.1 36 74 MET N 591.5 6.4 37 164 GLU N 622.9 17.3 38 151 MET N 593.3 18.1 39 134 TRP N 613.4 31.9 40 122 VAL N 493.6 17.1 41 150 LEU N 596 19 42 82 ILE N 572 32.5 43 42 GLU N 547.2 19.1 44 75 ILE N 534.2 19.9 45 110 LYS N 541.3 29.9 46 86 ARG N 620 16.4 47 91 LYS N 622.5 51.4 48 101 ALA N 657.6 16.9 49 161 GLN N 560.7 33 50 146 GLU N 607.9 20.3 51 87 ILE N 617.4 21.1 52 19 GLU N 434.1 17.6 53 41 LEU N 603.3 9.8 54 147 LEU N 628 11 55 27 PHE N 440.5 17.3 56 43 GLU N 491.1 4.12 57 21 ARG N 511.2 29.3 58 104 PHE N 578.6 17.9 59 58 TRP N 548.9 21.1 60 53 ASP N 473.6 68.1 61 39 ARG N 538.6 17.7 62 48 GLN N 627.9 18.9 63 83 TYR N 545.2 21.4 64 158 LYS N 511.1 5.45 65 166 GLN N 606.4 9.62 66 46 GLU N 624.9 17.9 67 32 VAL N 446.7 27.5 68 143 VAL N 663.5 35.3 69 70 ARG N 654.9 31.1 70 149 ARG N 565.9 12.7 71 127 ALA N 582.6 14.3 72 49 LYS N 592.2 17.2 73 84 GLU N 551.2 28.2 74 65 ASP N 587.6 11.5 75 116 VAL N 620.1 11.3 76 38 PHE N 596 19.3 77 133 LYS N 588.8 23.7 78 141 LYS N 592.2 29.7 79 77 GLY N 544.5 20.5 80 148 ARG N 636.6 22.6 81 62 ASP N 563.6 14.4 82 89 SER N 552.8 35.3 83 85 ASN N 666.6 32.5 84 64 GLU N 593.9 20.6 85 68 LEU N 501.3 14.4 86 72 THR N 594.9 16.1 87 144 LEU N 656 26.6 88 128 ILE N 671.9 20.2 89 119 SER N 447.5 23.5 90 136 ASN N 457.5 23.6 91 120 ASN N 471.5 14.2 92 142 VAL N 527.6 12.3 93 155 GLU N 449.9 30 94 109 THR N 627.2 24.9 95 145 GLN N 670 24.7 96 57 SER N 580 22.1 97 156 ASN N 568 16.6 98 51 VAL N 461.7 6.17 99 153 SER N 538.9 10.5 100 97 LYS N 497.4 23.1 101 131 LEU N 609.5 31.7 102 130 VAL N 541.9 22.7 103 157 MET N 510.8 10.3 104 69 THR N 512.5 13.2 105 80 ARG N 629.3 24.8 106 165 GLY N 517.7 33.7 107 126 ARG N 615.4 11.2 108 95 GLY N 489.9 26.9 109 115 GLY N 522.3 28.3 110 56 VAL N 572.9 15.3 111 55 THR N 481.7 21.4 112 152 MET N 674.1 36.7 113 67 THR N 515.7 26.5 114 20 GLY N 403.8 33.5 115 137 SER N 458.4 6.07 116 121 GLY N 538.7 23.7 117 73 GLY N 555 30.8 118 139 SER N 641.5 30 119 54 GLY N 469.5 27.6 120 47 GLY N 554.3 17.1 121 50 GLY N 472.4 18.1 122 81 THR N 639.4 11.6 123 59 GLY N 551.3 18.3 stop_ save_ save_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type N15 _T2_value_units ms _Mol_system_component_name hUev1a _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 134 TRP N1 74.3 1.33 . . 2 123 VAL N 81.05 2.97 . . 3 124 ASP N 75.67 2.85 . . 4 71 TRP N1 82.73 0.633 . . 5 117 ASN N 70.49 0.908 . . 6 88 TYR N 81.2 1.52 . . 7 113 MET N 89.78 1.44 . . 8 58 TRP N1 84.48 0.956 . . 9 76 ILE N 72.93 0.9 . . 10 105 VAL N 83.72 1.95 . . 11 71 TRP N 79.45 1.4 . . 12 93 GLU N 79.77 1.16 . . 13 94 CYS N 78.13 0.776 . . 14 66 MET N 48.21 1.59 . . 15 170 ASN N 308.4 21.1 . . 16 98 TYR N 88.33 1.68 . . 17 114 ASN N 83.33 1.9 . . 18 100 GLU N 85.56 3.59 . . 19 159 LEU N 74.46 0.786 . . 20 44 LEU N 74.91 1.85 . . 21 33 LYS N 136.7 3.19 . . 22 112 ASN N 81.16 3.56 . . 23 132 ALA N 79.17 1.11 . . 24 107 PHE N 87.23 2 . . 25 90 LEU N 80.53 0.658 . . 26 92 ILE N 89.11 2.96 . . 27 34 VAL N 111.1 1.46 . . 28 135 GLN N 90.28 3.05 . . 29 63 ASP N 72.11 0.817 . . 30 140 ILE N 73.4 1.57 . . 31 61 GLU N 78.89 2.3 . . 32 118 SER N 97.44 3.79 . . 33 36 ARG N 65.84 2.44 . . 34 138 TYR N 78.92 0.471 . . 35 108 VAL N 85.42 3.1 . . 36 74 MET N 76.49 0.873 . . 37 164 GLU N 81.8 0.631 . . 38 10 LEU N 206.4 17.7 . . 39 151 MET N 70.55 1.09 . . 40 134 TRP N 94.23 0.528 . . 41 122 VAL N 76.4 0.521 . . 42 150 LEU N 72.51 1.45 . . 43 82 ILE N 79.11 1.41 . . 44 42 GLU N 74.4 1.48 . . 45 75 ILE N 85.63 1.34 . . 46 110 LYS N 75.96 1.54 . . 47 86 ARG N 104.3 2.12 . . 48 91 LYS N 78.65 1.9 . . 49 5 VAL N 223.5 44.9 . . 50 101 ALA N 93.89 0.877 . . 51 161 GLN N 84.2 1.38 . . 52 146 GLU N 71.28 0.674 . . 53 87 ILE N 83.52 0.545 . . 54 19 GLU N 260.2 5.69 . . 55 41 LEU N 73.53 0.556 . . 56 147 LEU N 70.22 1.03 . . 57 43 GLU N 69.9 1.4 . . 58 21 ARG N 299.2 10.4 . . 59 104 PHE N 73.34 0.953 . . 60 58 TRP N 77.28 0.615 . . 61 53 ASP N 112.8 5.25 . . 62 39 ARG N 71.51 0.757 . . 63 48 GLN N 76.82 1.12 . . 64 83 TYR N 76.26 1.1 . . 65 166 GLN N 97.33 3.31 . . 66 158 LYS N 78.37 0.648 . . 67 46 GLU N 73.98 0.788 . . 68 32 VAL N 178.5 4.81 . . 69 143 VAL N 66.64 0.735 . . 70 70 ARG N 52.04 1.48 . . 71 149 ARG N 65.42 0.614 . . 72 127 ALA N 83.91 1.19 . . 73 49 LYS N 90.74 1.03 . . 74 84 GLU N 72.1 0.748 . . 75 65 ASP N 74.74 1.44 . . 76 116 VAL N 71.43 0.432 . . 77 38 PHE N 74.02 0.911 . . 78 133 LYS N 80.03 1.16 . . 79 141 LYS N 70.09 1.02 . . 80 77 GLY N 77.55 2 . . 81 62 ASP N 70.95 0.49 . . 82 148 ARG N 67.27 0.346 . . 83 85 ASN N 85.24 1.47 . . 84 89 SER N 77.73 1.1 . . 85 64 GLU N 62.26 0.493 . . 86 68 LEU N 66.3 1.01 . . 87 72 THR N 76.81 1.18 . . 88 144 LEU N 65.1 1.29 . . 89 128 ILE N 87.51 0.914 . . 90 119 SER N 82.16 2.36 . . 91 136 ASN N 78.51 1.5 . . 92 120 ASN N 83.31 2.05 . . 93 155 GLU N 72.66 0.799 . . 94 142 VAL N 66.39 1.56 . . 95 109 THR N 83.46 1.14 . . 96 145 GLN N 68.91 0.806 . . 97 57 SER N 82.1 0.898 . . 98 156 ASN N 83.35 0.61 . . 99 51 VAL N 130.7 1.41 . . 100 153 SER N 84.36 1.41 . . 101 97 LYS N 72.74 2.04 . . 102 131 LEU N 70.97 1.13 . . 103 157 MET N 81.07 0.534 . . 104 130 VAL N 79.6 1.45 . . 105 69 THR N 75.35 1.21 . . 106 80 ARG N 89.6 1.08 . . 107 165 GLY N 89.74 2.79 . . 108 126 ARG N 90.19 1.58 . . 109 95 GLY N 85.31 1.24 . . 110 115 GLY N 85.83 2.78 . . 111 56 VAL N 80.49 1.65 . . 112 152 MET N 76.67 1.05 . . 113 55 THR N 92.42 1.11 . . 114 67 THR N 68.2 1.91 . . 115 20 GLY N 231 8.43 . . 116 137 SER N 79.63 0.886 . . 117 121 GLY N 74.41 1.4 . . 118 73 GLY N 78.14 1.4 . . 119 139 SER N 78.58 0.619 . . 120 54 GLY N 94.25 3.01 . . 121 47 GLY N 76.34 2.81 . . 122 50 GLY N 97.02 1.31 . . 123 81 THR N 93.36 1.18 . . 124 59 GLY N 78.78 1.65 . . stop_ save_ save_T2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type N15 _T2_value_units ms _Mol_system_component_name hUev1a _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 134 TRP N1 77.54 1.12 . . 2 123 VAL N 69.87 1.98 . . 3 124 ASP N 78.4 2.32 . . 4 71 TRP N1 85.21 1.45 . . 5 117 ASN N 80.24 3.35 . . 6 88 TYR N 88.47 2.14 . . 7 113 MET N 88.52 1.47 . . 8 58 TRP N1 90.16 2.1 . . 9 76 ILE N 81.65 1.63 . . 10 105 VAL N 89.83 0.959 . . 11 71 TRP N 80.97 0.775 . . 12 93 GLU N 88.52 2.43 . . 13 94 CYS N 88.29 4.3 . . 14 66 MET N 57.2 2.53 . . 15 170 ASN N 334.2 13 . . 16 98 TYR N 87.59 1.92 . . 17 114 ASN N 94.37 4.02 . . 18 159 LEU N 79.72 1.48 . . 19 100 GLU N 85.9 3.63 . . 20 44 LEU N 77.46 3.09 . . 21 33 LYS N 157.5 6.07 . . 22 132 ALA N 82 3.42 . . 23 112 ASN N 88.38 4.21 . . 24 107 PHE N 96.41 3.55 . . 25 90 LEU N 88.91 3.15 . . 26 92 ILE N 91.03 1.81 . . 27 34 VAL N 115.3 1.9 . . 28 135 GLN N 104.9 8.96 . . 29 63 ASP N 83.16 0.637 . . 30 140 ILE N 72.49 2.03 . . 31 61 GLU N 81.66 1.23 . . 32 118 SER N 100.6 7.25 . . 33 36 ARG N 77.08 2.49 . . 34 138 TYR N 85.89 2.43 . . 35 108 VAL N 87.45 3.3 . . 36 74 MET N 83.21 1.86 . . 37 164 GLU N 83.63 1.05 . . 38 10 LEU N 264 27.8 . . 39 151 MET N 74.06 1.99 . . 40 134 TRP N 102.6 1.44 . . 41 122 VAL N 85.97 1.32 . . 42 150 LEU N 79.64 1.9 . . 43 82 ILE N 85.52 2.04 . . 44 42 GLU N 80.74 0.522 . . 45 75 ILE N 86.54 1.01 . . 46 110 LYS N 88.91 1.93 . . 47 86 ARG N 117.2 1.7 . . 48 91 LYS N 86.82 0.766 . . 49 5 VAL N 228.2 44.6 . . 50 101 ALA N 99.73 2.44 . . 51 161 GLN N 88.28 1.62 . . 52 146 GLU N 78.41 0.928 . . 53 87 ILE N 84.13 0.734 . . 54 19 GLU N 291.9 55.4 . . 55 41 LEU N 76.15 1.21 . . 56 147 LEU N 76.51 1.7 . . 57 27 PHE N 212 13.8 . . 58 43 GLU N 77.22 2.45 . . 59 21 ARG N 285 18.4 . . 60 104 PHE N 75.78 1.66 . . 61 58 TRP N 78.37 0.539 . . 62 53 ASP N 132.7 18.9 . . 63 39 ARG N 76.61 2.58 . . 64 48 GLN N 80.57 1.37 . . 65 83 TYR N 77.18 1.66 . . 66 158 LYS N 86.08 0.953 . . 67 166 GLN N 99.96 1.69 . . 68 46 GLU N 83.84 1.02 . . 69 143 VAL N 80.8 1.46 . . 70 32 VAL N 168.2 3.35 . . 71 70 ARG N 71.85 4.87 . . 72 149 ARG N 72.64 0.699 . . 73 127 ALA N 90.76 2.51 . . 74 49 LYS N 92.98 0.708 . . 75 84 GLU N 77.82 1.33 . . 76 65 ASP N 78.33 1.56 . . 77 116 VAL N 76.53 0.583 . . 78 38 PHE N 81.79 1.4 . . 79 133 LYS N 85.49 0.888 . . 80 141 LYS N 76.02 2.95 . . 81 77 GLY N 81.06 3.8 . . 82 148 ARG N 73.17 1.09 . . 83 62 ASP N 74.3 2.06 . . 84 89 SER N 77.23 2.56 . . 85 85 ASN N 87.77 1.5 . . 86 64 GLU N 71.81 1.4 . . 87 68 LEU N 69.91 2.58 . . 88 72 THR N 82.08 2.3 . . 89 144 LEU N 71.66 2.47 . . 90 128 ILE N 93.3 2.23 . . 91 119 SER N 85.52 6.47 . . 92 136 ASN N 89.04 3.42 . . 93 120 ASN N 83.79 1.5 . . 94 142 VAL N 76.19 1.07 . . 95 155 GLU N 77.44 1.2 . . 96 109 THR N 82.72 4.06 . . 97 145 GLN N 73.99 2.16 . . 98 57 SER N 85.73 4 . . 99 156 ASN N 87.89 0.674 . . 100 51 VAL N 139.3 3.69 . . 101 153 SER N 86.2 0.928 . . 102 97 LYS N 84.75 1.69 . . 103 131 LEU N 71.25 2.4 . . 104 157 MET N 82.2 1.61 . . 105 130 VAL N 76.87 2.17 . . 106 69 THR N 85.55 1.39 . . 107 80 ARG N 87.92 3.88 . . 108 165 GLY N 92.37 3.12 . . 109 126 ARG N 93.86 0.747 . . 110 95 GLY N 83.96 1.42 . . 111 115 GLY N 91.8 3.3 . . 112 56 VAL N 88.3 1.14 . . 113 152 MET N 77.81 3 . . 114 55 THR N 101.2 1.35 . . 115 67 THR N 75.61 4.24 . . 116 20 GLY N 243.9 31.1 . . 117 137 SER N 92.94 2.81 . . 118 121 GLY N 82.22 4.09 . . 119 73 GLY N 83.66 7.77 . . 120 139 SER N 98.47 1.73 . . 121 54 GLY N 104.2 3.81 . . 122 47 GLY N 80.54 2.45 . . 123 50 GLY N 107.9 2.26 . . 124 81 THR N 97.96 2.56 . . 125 59 GLY N 83.27 2.34 . . stop_ save_ save_order_param_list_1 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $conditions_1 _Mol_system_component_name hUev1a _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 42 GLU N . 0.96658 0.011736 . . . . . . . . . . . . 43 GLU N . 1 0.0051772 . . . . . . . . . . . . 69 THR N . 0.91876 0.015372 . . . . . . . . . . . . 73 GLY N . 0.95974 0.017409 . . . . . . . . . . . . 75 ILE N . 0.87849 0.013942 . . . . . . . . . . . . 81 THR N . 0.79656 0.0067214 . . . . . . . . . . . . 82 ILE N . 0.93676 0.011483 . . . . . . . . . . . . 105 VAL N . 0.8814 0.012536 . . . . . . . . . . . . 107 PHE N . 0.85016 0.013126 . . . . . . . . . . . . 108 VAL N . 0.88349 0.02952 . . . . . . . . . . . . 109 THR N . 0.86582 0.0081977 . . . . . . . . . . . . 117 ASN N . 0.95781 0.0053394 . . . . . . . . . . . . 128 ILE N . 0.79309 0.0044187 . . . . . . . . . . . . 142 VAL N . 0.97494 0.0085625 . . . . . . . . . . . . 146 GLU N . 0.93101 0.008527 . . . . . . . . . . . . 149 ARG N . 0.99705 0.0075846 . . . . . . . . . . . . 47 GLY N . 0.89871 0.0077375 . . . . . . . . . . . . 56 VAL N . 0.88196 0.009308 . . . . . . . . . . . . 59 GLY N . 0.90527 0.011674 . . . . . . . . . . . . 65 ASP N . 0.90809 0.012732 . . . . . . . . . . . . 97 LYS N . 0.92668 0.033039 . . . . . . . . . . . . 101 ALA N . 0.77048 0.0091021 . . . . . . . . . . . . 119 SER N . 0.74675 0.057726 . . . . . . . . . . . . 120 ASN N . 0.90015 0.017741 . . . . . . . . . . . . 126 ARG N . 0.80828 0.01086 . . . . . . . . . . . . 130 VAL N . 0.93592 0.019081 . . . . . . . . . . . . 132 ALA N . 0.85798 0.010056 . . . . . . . . . . . . 136 ASN N . 0.90991 0.022402 . . . . . . . . . . . . 150 LEU N . 0.91597 0.012608 . . . . . . . . . . . . 156 ASN N . 0.87105 0.012446 . . . . . . . . . . . . 157 MET N . 0.91899 0.0065131 . . . . . . . . . . . . 158 LYS N . 0.91785 0.019732 . . . . . . . . . . . . 38 PHE N . 0.88891 0.022103 . . . . . . . . . . . . 39 ARG N . 0.93389 0.018731 . . . . . . . . . . . . 57 SER N . 0.80495 0.016153 . . . . . . . . . . . . 67 THR N . 0.97922 0.020337 . . . . . . . . . . . . 70 ARG N . 0.83443 0.02526 . . . . . . . . . . . . 71 TRP N . 0.86788 0.018199 . . . . . . . . . . . . 72 THR N . 0.83476 0.019428 . . . . . . . . . . . . 76 ILE N . 0.89002 0.018403 . . . . . . . . . . . . 80 ARG N . 0.80234 0.025325 . . . . . . . . . . . . 83 TYR N . 0.87376 0.025285 . . . . . . . . . . . . 84 GLU N . 0.89223 0.039799 . . . . . . . . . . . . 89 SER N . 0.8308 0.028642 . . . . . . . . . . . . 90 LEU N . 0.84002 0.013303 . . . . . . . . . . . . 91 LYS N . 0.80786 0.023215 . . . . . . . . . . . . 93 GLU N . 0.78846 0.021004 . . . . . . . . . . . . 94 CYS N . 0.86372 0.032617 . . . . . . . . . . . . 104 PHE N . 0.91392 0.022039 . . . . . . . . . . . . 110 LYS N . 0.90406 0.01562 . . . . . . . . . . . . 116 VAL N . 0.86466 0.024005 . . . . . . . . . . . . 121 GLY N . 0.89588 0.028236 . . . . . . . . . . . . 131 LEU N . 0.81799 0.017331 . . . . . . . . . . . . 133 LYS N . 0.82868 0.01555 . . . . . . . . . . . . 143 VAL N . 0.79043 0.019726 . . . . . . . . . . . . 145 GLN N . 0.78088 0.018934 . . . . . . . . . . . . 147 LEU N . 0.88052 0.0079636 . . . . . . . . . . . . 148 ARG N . 0.82841 0.0076377 . . . . . . . . . . . . 151 MET N . 0.89405 0.014269 . . . . . . . . . . . . 159 LEU N . 0.84116 0.015174 . . . . . . . . . . . . 36 ARG N . 1 0.07828 . . . . . . . . . . . . 44 LEU N . 0.8611 0.023446 . . . . . . . . . . . . 46 GLU N . 0.84879 0.03656 . . . . . . . . . . . . 48 GLN N . 0.82754 0.019482 . . . . . . . . . . . . 58 TRP N . 0.89595 0.058939 . . . . . . . . . . . . 61 GLU N . 0.88065 0.023956 . . . . . . . . . . . . 62 ASP N . 0.89271 0.041666 . . . . . . . . . . . . 63 ASP N . 0.89311 0.043743 . . . . . . . . . . . . 64 GLU N . 0.90819 0.064847 . . . . . . . . . . . . 66 MET N . 1 0.032944 . . . . . . . . . . . . 68 LEU N . 0.98988 0.052097 . . . . . . . . . . . . 74 MET N . 0.82366 0.028427 . . . . . . . . . . . . 77 GLY N . 0.91062 0.021275 . . . . . . . . . . . . 85 ASN N . 0.80121 0.017607 . . . . . . . . . . . . 87 ILE N . 0.79716 0.037474 . . . . . . . . . . . . 92 ILE N . 0.79833 0.032473 . . . . . . . . . . . . 123 VAL N . 0.887 0.032293 . . . . . . . . . . . . 124 ASP N . 0.80992 0.022936 . . . . . . . . . . . . 140 ILE N . 0.94388 0.034708 . . . . . . . . . . . . 141 LYS N . 0.86104 0.037346 . . . . . . . . . . . . 144 LEU N . 0.82742 0.0092691 . . . . . . . . . . . . 152 MET N . 0.83635 0.027819 . . . . . . . . . . . . 155 GLU N . 1 0.023008 . . . . . . . . . . . . 164 GLU N . 0.83983 0.014362 . . . . . . . . . . . . 49 LYS N . 0.8074 0.0076795 . . . . . . . . . . . . 50 GLY N . 0.66938 0.018194 . . . . . . . . . . . . 51 VAL N . 0.43504 0.0072716 . . . . . . . . . . . . 53 ASP N . 0.51606 0.088459 . . . . . . . . . . . . 54 GLY N . 0.70163 0.029455 . . . . . . . . . . . . 55 THR N . 0.63867 0.0554 . . . . . . . . . . . . 86 ARG N . 0.66391 0.013902 . . . . . . . . . . . . 88 TYR N . 0.87487 0.031613 . . . . . . . . . . . . 95 GLY N . 0.8047 0.028239 . . . . . . . . . . . . 98 TYR N . 0.7793 0.025123 . . . . . . . . . . . . 100 GLU N . 0.85429 0.018174 . . . . . . . . . . . . 112 ASN N . 0.85642 0.03521 . . . . . . . . . . . . 113 MET N . 0.75026 0.020773 . . . . . . . . . . . . 114 ASN N . 0.80166 0.022358 . . . . . . . . . . . . 115 GLY N . 0.78673 0.033715 . . . . . . . . . . . . 118 SER N . 0.7227 0.050055 . . . . . . . . . . . . 122 VAL N . 0.89056 0.026045 . . . . . . . . . . . . 127 ALA N . 0.84573 0.01245 . . . . . . . . . . . . 134 TRP N . 0.74148 0.015163 . . . . . . . . . . . . 137 SER N . 0.87349 0.031374 . . . . . . . . . . . . 138 TYR N . 0.9317 0.019843 . . . . . . . . . . . . 139 SER N . 0.79173 0.060522 . . . . . . . . . . . . 153 SER N . 0.7593 0.016528 . . . . . . . . . . . . 161 GLN N . 0.76653 0.018236 . . . . . . . . . . . . 165 GLY N . 0.80826 0.030826 . . . . . . . . . . . . 166 GLN N . 0.74364 0.013952 . . . . . . . . . . . . 170 ASN N . 0.10054 0.019784 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_