data_4371 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 13C and 15N Resonance Assignments of Recombinant Onconase/P-30 Protein ; _BMRB_accession_number 4371 _BMRB_flat_file_name bmr4371.str _Entry_type original _Submission_date 1999-07-20 _Accession_date 1999-07-29 _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 Gorbatyuk Vitaliy Ya. . 2 Chen Yi-Cheng . . 3 Wu Yung-Jean . . 4 Youle Richard . . 5 Huang Tai-huang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 719 "13C chemical shifts" 470 "15N chemical shifts" 223 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-11-23 original author 'Original release.' 2002-08-20 update BMRB 'Modify the saveframe name.' 2003-06-16 update author 'Add new chemical shifts.' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Gorbatyuk, V. Y., Chen, Y-C., Wu, Y-J., Youle, R.J., and Huang, T-H., "Sequence-specific 1H, 13C and 15N Resonance Assignments of Recombinant Onconase/P-30 Protein," J. Biomol. NMR 15, 343-344 (1999). ; _Citation_title ; Sequence-specific 1H, 13C and 15N Resonance Assignments of Recombinant Onconase/P-30 Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20149605 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gorbatyuk Vitaliy Ya. . 2 Chen Yi-Cheng . . 3 Wu Yung-Jean . . 4 Youle Richard . . 5 Huang Tai-huang . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 15 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 343 _Page_last 344 _Year 1999 _Details . loop_ _Keyword 'anti-tumor agent' 'Cytotoxic protein' lectin 'p30 protein' ribonuclease stop_ save_ ################################## # Molecular system description # ################################## save_system_(M-1_Q1_M23L)rOnc _Saveframe_category molecular_system _Mol_system_name 'Recombinant Onconase/P30 protein' _Abbreviation_common (M-1,Q1,M23L)rOnc _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label (M-1,Q1,M23L)rOnc $(M-1_Q1_M23L)rOnc stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'fully oxidized' loop_ _Biological_function 'anti-tumor agent' 'cytotoxic protein' ribonuclease stop_ _Database_query_date . _Details 'This is recombinant Met-1, Gln1, and Leu23 Onconase' save_ ######################## # Monomeric polymers # ######################## save_(M-1_Q1_M23L)rOnc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Recombinant Onconase/ranpirnase' _Abbreviation_common (M-1,Q1,M23L)rOnc _Molecular_mass 11958 _Mol_thiol_state 'fully oxidized' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; MQDWLTFQKKHITNTRDVDC DNILSTNLFHCKDKNTFIYS RPEPVKAICKGIIASKNVLT TSEFYLSDCNVTSRPCKYKL KKSTNKFCVTCENQAPVHFV GVGSC ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ASP 4 TRP 5 LEU 6 THR 7 PHE 8 GLN 9 LYS 10 LYS 11 HIS 12 ILE 13 THR 14 ASN 15 THR 16 ARG 17 ASP 18 VAL 19 ASP 20 CYS 21 ASP 22 ASN 23 ILE 24 LEU 25 SER 26 THR 27 ASN 28 LEU 29 PHE 30 HIS 31 CYS 32 LYS 33 ASP 34 LYS 35 ASN 36 THR 37 PHE 38 ILE 39 TYR 40 SER 41 ARG 42 PRO 43 GLU 44 PRO 45 VAL 46 LYS 47 ALA 48 ILE 49 CYS 50 LYS 51 GLY 52 ILE 53 ILE 54 ALA 55 SER 56 LYS 57 ASN 58 VAL 59 LEU 60 THR 61 THR 62 SER 63 GLU 64 PHE 65 TYR 66 LEU 67 SER 68 ASP 69 CYS 70 ASN 71 VAL 72 THR 73 SER 74 ARG 75 PRO 76 CYS 77 LYS 78 TYR 79 LYS 80 LEU 81 LYS 82 LYS 83 SER 84 THR 85 ASN 86 LYS 87 PHE 88 CYS 89 VAL 90 THR 91 CYS 92 GLU 93 ASN 94 GLN 95 ALA 96 PRO 97 VAL 98 HIS 99 PHE 100 VAL 101 GLY 102 VAL 103 GLY 104 SER 105 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16040 "onconase C87A/C104A" 97.14 104 98.04 99.02 9.04e-67 PDB 1ONC "The Refined 1.7 Angstroms X-Ray Crystallographic Structure Of P-30, An Amphibian Ribonuclease With Anti-Tumor Activity" 98.10 104 99.03 100.00 2.88e-68 PDB 1PU3 "The Solution Nmr Structure And Dynamics Of A Recombinant Onconase With Altered N-Terminal And Met23 Residues" 100.00 105 100.00 100.00 1.70e-70 PDB 1YV4 "X-Ray Structure Of M23l Onconase At 100k" 98.10 104 100.00 100.00 1.69e-68 PDB 1YV6 "X-Ray Structure Of M23l Onconase At 298k" 98.10 104 100.00 100.00 1.69e-68 PDB 1YV7 "X-Ray Structure Of (C87s,Des103-104) Onconase" 96.19 102 98.02 99.01 7.53e-66 PDB 2GMK "Crystal Structure Of Onconase Double Mutant With Spontaneously-Assembled (Amp) 4 Stack" 98.10 104 97.09 98.06 9.55e-67 PDB 2I5S "Crystal Structure Of Onconase With Bound Nucleic Acid" 98.10 104 99.03 100.00 2.88e-68 PDB 2KB6 "Solution Structure Of Onconase C87aC104A" 97.14 104 98.04 99.02 9.04e-67 PDB 3FD7 "Crystal Structure Of Onconase C87aC104A-Onc" 97.14 104 98.04 99.02 9.04e-67 PDB 3HG6 "Crystal Structure Of The Recombinant Onconase From Rana Pipiens" 98.10 104 99.03 100.00 2.88e-68 PDB 3PHN "Crystal Structure Of Wild-Type Onconase With Resolution 1.46 A" 98.10 104 99.03 100.00 2.88e-68 PDB 3SNF "Onconase, Atomic Resolution Crystal Structure" 98.10 104 99.03 100.00 2.88e-68 PDB 3U00 "Crystal Structure Of Wild-Type Onconase At 1.65 A Resolution" 98.10 104 99.03 100.00 2.88e-68 PDB 3U01 "Crystal Structure Of Onconase Double Mutant C30a/c75a At 1.12 A Resolution" 98.10 104 97.09 98.06 1.03e-66 GB AAL54383 "onconase precursor [Rana pipiens]" 99.05 127 99.04 100.00 3.01e-69 SP P22069 "RecName: Full=Protein P-30; AltName: Full=Onconase" 99.05 104 99.04 100.00 3.39e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $(M-1_Q1_M23L)rOnc 'northern leopard frog' 8404 Eukaryota Metazoa Rana pipiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $(M-1_Q1_M23L)rOnc 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET-11d 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 $(M-1_Q1_M23L)rOnc 1.5 mM '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version . loop_ _Task 'data processing' stop_ _Details . save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version . loop_ _Task assignment stop_ _Details . save_ save_Sparky _Saveframe_category software _Name Sparky _Version . loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_13C_CT-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C CT-HSQC' _Sample_label $sample_1 save_ save_3D_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_15N-res._[1H,1H]-TOCSY_(mixing_time:_60.4_ms)_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-res. [1H,1H]-TOCSY (mixing time: 60.4 ms)' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_(mixing_time:_24.8_ms)_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY (mixing time: 24.8 ms)' _Sample_label $sample_1 save_ save_3D_15N-res._NOESY-HSQC_(mixing_time_100_ms)_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-res. NOESY-HSQC (mixing time 100 ms)' _Sample_label $sample_1 save_ save_3D_13C-res._NOESY-HSQC_(mixing_time_100_ms)_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-res. NOESY-HSQC (mixing time 100 ms)' _Sample_label $sample_1 save_ save_2D_13C-filtered_NOESY_(mixing_time_100_ms)_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-filtered NOESY (mixing time 100 ms)' _Sample_label $sample_1 save_ save_2D_13C-filtered_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-filtered TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 4.1 0.1 n/a temperature 310 0.5 K stop_ save_ save_sample_conditions_set_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 7.0 0.1 n/a temperature 310 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_set_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 internal indirect cylindrical indirect parallel 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical internal parallel 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 internal indirect cylindrical indirect parallel 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_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_set_1 _Chem_shift_reference_set_label $chemical_shift_reference_set_1 _Mol_system_component_name (M-1,Q1,M23L)rOnc _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 MET HA H 4.13 . . 2 . 1 MET HB2 H 2.14 . . 3 . 1 MET HG2 H 2.596 . . 4 . 1 MET HG3 H 2.542 . . 5 . 1 MET C C 172.278 . . 6 . 1 MET CA C 55.188 . . 7 . 1 MET CB C 32.687 . . 8 . 1 MET CG C 31.127 . . 9 . 2 GLN H H 8.83 . . 10 . 2 GLN HA H 4.646 . . 11 . 2 GLN HB2 H 2.17 . . 12 . 2 GLN HB3 H 2.053 . . 13 . 2 GLN HG2 H 2.427 . . 14 . 2 GLN HE21 H 7.515 . . 15 . 2 GLN HE22 H 6.83 . . 16 . 2 GLN C C 173.831 . . 17 . 2 GLN CA C 55.5 . . 18 . 2 GLN CB C 27.999 . . 19 . 2 GLN CG C 33.937 . . 20 . 2 GLN NE2 N 111.551 . . 21 . 2 GLN N N 123.4 . . 22 . 3 ASP H H 7.921 . . 23 . 3 ASP HA H 4.798 . . 24 . 3 ASP HB2 H 3.14 . . 25 . 3 ASP HB3 H 2.86 . . 26 . 3 ASP C C 175.853 . . 27 . 3 ASP CA C 52.8 . . 28 . 3 ASP CB C 42.5 . . 29 . 3 ASP N N 121.122 . . 30 . 4 TRP H H 8.92 . . 31 . 4 TRP HA H 5.466 . . 32 . 4 TRP HB2 H 3.339 . . 33 . 4 TRP HB3 H 3.175 . . 34 . 4 TRP HD1 H 7.25 . . 35 . 4 TRP HE1 H 10.256 . . 36 . 4 TRP HZ2 H 7.33 . . 37 . 4 TRP HH2 H 7.16 . . 38 . 4 TRP HZ3 H 6.81 . . 39 . 4 TRP HE3 H 8.2 . . 40 . 4 TRP C C 178.051 . . 41 . 4 TRP CA C 58.001 . . 42 . 4 TRP CB C 31.124 . . 43 . 4 TRP CD1 C 128.424 . . 44 . 4 TRP CE3 C 125.442 . . 45 . 4 TRP CH2 C 124.492 . . 46 . 4 TRP CZ2 C 116.804 . . 47 . 4 TRP CZ3 C 121.533 . . 48 . 4 TRP N N 123.17 . . 49 . 4 TRP NE1 N 129.6 . . 50 . 5 LEU H H 8.062 . . 51 . 5 LEU HA H 3.707 . . 52 . 5 LEU HB2 H 1.72 . . 53 . 5 LEU HB3 H 1.568 . . 54 . 5 LEU HG H 1.571 . . 55 . 5 LEU HD1 H 0.86 . . 56 . 5 LEU HD2 H 0.809 . . 57 . 5 LEU C C 179.809 . . 58 . 5 LEU CA C 58.47 . . 59 . 5 LEU CB C 40.812 . . 60 . 5 LEU CG C 27.377 . . 61 . 5 LEU CD1 C 24.096 . . 62 . 5 LEU CD2 C 23.939 . . 63 . 5 LEU N N 120.575 . . 64 . 6 THR H H 8.579 . . 65 . 6 THR HA H 3.686 . . 66 . 6 THR HB H 4.309 . . 67 . 6 THR HG2 H 1.252 . . 68 . 6 THR C C 175.765 . . 69 . 6 THR CA C 67.063 . . 70 . 6 THR CB C 68.001 . . 71 . 6 THR CG2 C 21.749 . . 72 . 6 THR N N 116.2 . . 73 . 7 PHE H H 8.469 . . 74 . 7 PHE HA H 4.064 . . 75 . 7 PHE HB2 H 3.666 . . 76 . 7 PHE HB3 H 3.14 . . 77 . 7 PHE HD1 H 7.06 . . 78 . 7 PHE HE1 H 6.967 . . 79 . 7 PHE HZ H 6.853 . . 80 . 7 PHE C C 177.963 . . 81 . 7 PHE CA C 62.063 . . 82 . 7 PHE CB C 39.562 . . 83 . 7 PHE CD1 C 132.429 . . 84 . 7 PHE CE1 C 129.888 . . 85 . 7 PHE CZ C 128.382 . . 86 . 7 PHE N N 123.31 . . 87 . 8 GLN H H 8.268 . . 88 . 8 GLN HA H 3.514 . . 89 . 8 GLN HB2 H 1.761 . . 90 . 8 GLN HB3 H 1.632 . . 91 . 8 GLN HG2 H 1.235 . . 92 . 8 GLN HE21 H 6.55 . . 93 . 8 GLN HE22 H 4.671 . . 94 . 8 GLN C C 178.344 . . 95 . 8 GLN CA C 59.563 . . 96 . 8 GLN CB C 30.187 . . 97 . 8 GLN CG C 34.562 . . 98 . 8 GLN NE2 N 107.449 . . 99 . 8 GLN N N 117.294 . . 100 . 9 LYS H H 7.506 . . 101 . 9 LYS HA H 3.929 . . 102 . 9 LYS HB2 H 1.76 . . 103 . 9 LYS HB3 H 1.691 . . 104 . 9 LYS HG2 H 1.538 . . 105 . 9 LYS HG3 H 1.398 . . 106 . 9 LYS HD2 H 1.538 . . 107 . 9 LYS HE2 H 2.824 . . 108 . 9 LYS C C 178.783 . . 109 . 9 LYS CA C 58.938 . . 110 . 9 LYS CB C 32.687 . . 111 . 9 LYS CG C 25.163 . . 112 . 9 LYS CD C 29.304 . . 113 . 9 LYS CE C 42.065 . . 114 . 9 LYS N N 117.567 . . 115 . 10 LYS H H 7.946 . . 116 . 10 LYS HA H 4.087 . . 117 . 10 LYS HB2 H 1.287 . . 118 . 10 LYS HB3 H 0.96 . . 119 . 10 LYS HG2 H 1.361 . . 120 . 10 LYS HG3 H 0.358 . . 121 . 10 LYS HD2 H 1.44 . . 122 . 10 LYS HE2 H 2.616 . . 123 . 10 LYS HE3 H 2.427 . . 124 . 10 LYS C C 176.498 . . 125 . 10 LYS CA C 57.375 . . 126 . 10 LYS CB C 34.562 . . 127 . 10 LYS CG C 26.437 . . 128 . 10 LYS CD C 29.562 . . 129 . 10 LYS CE C 41.75 . . 130 . 10 LYS N N 113.739 . . 131 . 11 HIS H H 7.76 . . 132 . 11 HIS HA H 4.519 . . 133 . 11 HIS HB2 H 2.579 . . 134 . 11 HIS HB3 H 1.765 . . 135 . 11 HIS HD2 H 6.423 . . 136 . 11 HIS HE1 H 8.266 . . 137 . 11 HIS HE2 H 7.962 . . 138 . 11 HIS C C 173.743 . . 139 . 11 HIS CA C 55.5 . . 140 . 11 HIS CB C 30.187 . . 141 . 11 HIS CD2 C 122.767 . . 142 . 11 HIS CE1 C 136.683 . . 143 . 11 HIS N N 107.449 . . 144 . 12 ILE H H 8.268 . . 145 . 12 ILE HA H 5.081 . . 146 . 12 ILE HB H 2.181 . . 147 . 12 ILE HG12 H 1.613 . . 148 . 12 ILE HG13 H 1.281 . . 149 . 12 ILE HG2 H 1.024 . . 150 . 12 ILE HD1 H 1.071 . . 151 . 12 ILE C C 174.945 . . 152 . 12 ILE CA C 60.813 . . 153 . 12 ILE CB C 37.687 . . 154 . 12 ILE CG1 C 28.21 . . 155 . 12 ILE CG2 C 17.686 . . 156 . 12 ILE CD1 C 12.999 . . 157 . 12 ILE N N 121.943 . . 158 . 13 THR H H 8.581 . . 159 . 13 THR HA H 5.022 . . 160 . 13 THR HB H 3.678 . . 161 . 13 THR HG2 H 1.048 . . 162 . 13 THR C C 171.311 . . 163 . 13 THR CA C 58.001 . . 164 . 13 THR CB C 70.814 . . 165 . 13 THR CG2 C 19.874 . . 166 . 13 THR N N 120.302 . . 167 . 14 ASN H H 8.249 . . 168 . 14 ASN HA H 4.905 . . 169 . 14 ASN HB2 H 3.011 . . 170 . 14 ASN HB3 H 2.801 . . 171 . 14 ASN HD21 H 7.49 . . 172 . 14 ASN HD22 H 6.753 . . 173 . 14 ASN C C 174.798 . . 174 . 14 ASN CA C 52.688 . . 175 . 14 ASN CB C 38.312 . . 176 . 14 ASN ND2 N 111.278 . . 177 . 14 ASN N N 122.763 . . 178 . 15 THR H H 7.911 . . 179 . 15 THR HA H 4.438 . . 180 . 15 THR HB H 3.912 . . 181 . 15 THR HG2 H 0.79 . . 182 . 15 THR C C 172.63 . . 183 . 15 THR CA C 58.938 . . 184 . 15 THR CB C 69.564 . . 185 . 15 THR CG2 C 18.936 . . 186 . 15 THR N N 113.465 . . 187 . 16 ARG H H 8.444 . . 188 . 16 ARG HA H 3.526 . . 189 . 16 ARG HB2 H 1.34 . . 190 . 16 ARG HB3 H 0.919 . . 191 . 16 ARG HG2 H 0.989 . . 192 . 16 ARG HD2 H 2.708 . . 193 . 16 ARG HE H 7.022 . . 194 . 16 ARG HH11 H 6.83 . . 195 . 16 ARG C C 178.49 . . 196 . 16 ARG CA C 57.688 . . 197 . 16 ARG CB C 28.937 . . 198 . 16 ARG CG C 26.124 . . 199 . 16 ARG CD C 43 . . 200 . 16 ARG N N 125.224 . . 201 . 16 ARG NE N 83.291 . . 202 . 16 ARG NH1 N 73.06 . . 203 . 17 ASP H H 7.869 . . 204 . 17 ASP HA H 4.566 . . 205 . 17 ASP HB2 H 2.404 . . 206 . 17 ASP HB3 H 2.217 . . 207 . 17 ASP C C 174.036 . . 208 . 17 ASP CA C 53 . . 209 . 17 ASP CB C 38.625 . . 210 . 17 ASP N N 121.943 . . 211 . 18 VAL H H 6.513 . . 212 . 18 VAL HA H 3.128 . . 213 . 18 VAL HB H 1.281 . . 214 . 18 VAL HG1 H 0.37 . . 215 . 18 VAL HG2 H -0.063 . . 216 . 18 VAL C C 175.326 . . 217 . 18 VAL CA C 62.376 . . 218 . 18 VAL CB C 32.374 . . 219 . 18 VAL CG1 C 21.124 . . 220 . 18 VAL CG2 C 20.186 . . 221 . 18 VAL N N 120.575 . . 222 . 19 ASP H H 8.488 . . 223 . 19 ASP HA H 4.601 . . 224 . 19 ASP HB2 H 2.86 . . 225 . 19 ASP HB3 H 2.439 . . 226 . 19 ASP C C 175.765 . . 227 . 19 ASP CA C 51.125 . . 228 . 19 ASP CB C 37.687 . . 229 . 19 ASP N N 126.318 . . 230 . 20 CYS H H 7.819 . . 231 . 20 CYS HA H 3.538 . . 232 . 20 CYS HB2 H 2.953 . . 233 . 20 CYS HB3 H 2.298 . . 234 . 20 CYS C C 174.945 . . 235 . 20 CYS CA C 58.001 . . 236 . 20 CYS CB C 40.5 . . 237 . 20 CYS N N 120.849 . . 238 . 21 ASP H H 8.649 . . 239 . 21 ASP HA H 4.332 . . 240 . 21 ASP HB2 H 2.813 . . 241 . 21 ASP HB3 H 2.672 . . 242 . 21 ASP C C 177.758 . . 243 . 21 ASP CA C 57.375 . . 244 . 21 ASP CB C 39.25 . . 245 . 21 ASP N N 117.567 . . 246 . 22 ASN H H 7.124 . . 247 . 22 ASN HA H 4.625 . . 248 . 22 ASN HB2 H 2.591 . . 249 . 22 ASN HB3 H 2.556 . . 250 . 22 ASN HD21 H 8.254 . . 251 . 22 ASN HD22 H 6.787 . . 252 . 22 ASN C C 176.41 . . 253 . 22 ASN CA C 54.25 . . 254 . 22 ASN CB C 39.25 . . 255 . 22 ASN ND2 N 115.106 . . 256 . 22 ASN N N 114.559 . . 257 . 23 ILE H H 7.721 . . 258 . 23 ILE HA H 3.958 . . 259 . 23 ILE HB H 1.363 . . 260 . 23 ILE HG12 H 1.363 . . 261 . 23 ILE HG13 H 1.083 . . 262 . 23 ILE HG2 H 0.662 . . 263 . 23 ILE HD1 H 0.592 . . 264 . 23 ILE C C 178.138 . . 265 . 23 ILE CA C 63.313 . . 266 . 23 ILE CB C 38.625 . . 267 . 23 ILE CG1 C 28.312 . . 268 . 23 ILE CG2 C 17.686 . . 269 . 23 ILE CD1 C 12.686 . . 270 . 23 ILE N N 118.661 . . 271 . 24 LEU H H 8.396 . . 272 . 24 LEU HA H 3.771 . . 273 . 24 LEU HB2 H 1.445 . . 274 . 24 LEU HG H 0.603 . . 275 . 24 LEU HD1 H 0.019 . . 276 . 24 LEU HD2 H -0.051 . . 277 . 24 LEU C C 176.322 . . 278 . 24 LEU CA C 56.438 . . 279 . 24 LEU CB C 38 . . 280 . 24 LEU CG C 28.624 . . 281 . 24 LEU CD1 C 24.874 . . 282 . 24 LEU CD2 C 23.312 . . 283 . 24 LEU N N 120.849 . . 284 . 25 SER H H 7.007 . . 285 . 25 SER HA H 4.718 . . 286 . 25 SER HB2 H 4.122 . . 287 . 25 SER C C 175.999 . . 288 . 25 SER CA C 58.313 . . 289 . 25 SER CB C 64.251 . . 290 . 25 SER N N 109.09 . . 291 . 26 THR H H 7.413 . . 292 . 26 THR HA H 4.508 . . 293 . 26 THR HB H 4.613 . . 294 . 26 THR HG2 H 1.48 . . 295 . 26 THR C C 176.146 . . 296 . 26 THR CA C 61.751 . . 297 . 26 THR CB C 72.064 . . 298 . 26 THR CG2 C 21.436 . . 299 . 26 THR N N 112.098 . . 300 . 27 ASN H H 8.987 . . 301 . 27 ASN HA H 3.982 . . 302 . 27 ASN HB2 H 2.801 . . 303 . 27 ASN HB3 H 2.789 . . 304 . 27 ASN HD21 H 7.54 . . 305 . 27 ASN HD22 H 6.894 . . 306 . 27 ASN C C 175.355 . . 307 . 27 ASN CA C 55.5 . . 308 . 27 ASN CB C 37.687 . . 309 . 27 ASN ND2 N 112.098 . . 310 . 27 ASN N N 119.208 . . 311 . 28 LEU H H 7.305 . . 312 . 28 LEU HA H 3.853 . . 313 . 28 LEU HB2 H 1.235 . . 314 . 28 LEU HB3 H 0.954 . . 315 . 28 LEU HG H 0.638 . . 316 . 28 LEU HD1 H 0.627 . . 317 . 28 LEU HD2 H 0.451 . . 318 . 28 LEU C C 176.468 . . 319 . 28 LEU CA C 56.75 . . 320 . 28 LEU CB C 42.687 . . 321 . 28 LEU CG C 26.124 . . 322 . 28 LEU CD1 C 23.624 . . 323 . 28 LEU CD2 C 25.187 . . 324 . 28 LEU N N 117.841 . . 325 . 29 PHE H H 6.948 . . 326 . 29 PHE HA H 4.519 . . 327 . 29 PHE HB2 H 2.988 . . 328 . 29 PHE HD1 H 7.024 . . 329 . 29 PHE HE1 H 7.287 . . 330 . 29 PHE HZ H 7.031 . . 331 . 29 PHE C C 176.41 . . 332 . 29 PHE CA C 58.313 . . 333 . 29 PHE CB C 43.625 . . 334 . 29 PHE CD1 C 131.857 . . 335 . 29 PHE CE1 C 130.207 . . 336 . 29 PHE CZ C 131.135 . . 337 . 29 PHE N N 112.098 . . 338 . 30 HIS H H 8.977 . . 339 . 30 HIS HA H 4.309 . . 340 . 30 HIS HB2 H 3.28 . . 341 . 30 HIS HB3 H 3.187 . . 342 . 30 HIS HD2 H 7.159 . . 343 . 30 HIS HE1 H 8.549 . . 344 . 30 HIS HE2 H 8.361 . . 345 . 30 HIS C C 173.831 . . 346 . 30 HIS CA C 56.438 . . 347 . 30 HIS CB C 27.062 . . 348 . 30 HIS CD2 C 121.376 . . 349 . 30 HIS CE1 C 135.418 . . 350 . 30 HIS N N 114.559 . . 351 . 31 CYS H H 9.07 . . 352 . 31 CYS HA H 4.426 . . 353 . 31 CYS HB2 H 3.304 . . 354 . 31 CYS HB3 H 3.269 . . 355 . 31 CYS C C 175.355 . . 356 . 31 CYS CA C 56.438 . . 357 . 31 CYS CB C 39.25 . . 358 . 31 CYS N N 109.363 . . 359 . 32 LYS H H 6.841 . . 360 . 32 LYS HA H 4.321 . . 361 . 32 LYS HB2 H 2.205 . . 362 . 32 LYS HB3 H 1.737 . . 363 . 32 LYS HG2 H 1.62 . . 364 . 32 LYS HG3 H 1.527 . . 365 . 32 LYS HD2 H 2.018 . . 366 . 32 LYS HD3 H 1.831 . . 367 . 32 LYS HE2 H 3.329 . . 368 . 32 LYS HE3 H 3.281 . . 369 . 32 LYS C C 176.175 . . 370 . 32 LYS CA C 56.438 . . 371 . 32 LYS CB C 32.687 . . 372 . 32 LYS CG C 23.624 . . 373 . 32 LYS CD C 30.187 . . 374 . 32 LYS CE C 41.734 . . 375 . 32 LYS N N 117.02 . . 376 . 33 ASP H H 8.586 . . 377 . 33 ASP HA H 4.239 . . 378 . 33 ASP HB2 H 2.824 . . 379 . 33 ASP HB3 H 2.778 . . 380 . 33 ASP C C 174.798 . . 381 . 33 ASP CA C 57.688 . . 382 . 33 ASP CB C 40.187 . . 383 . 33 ASP N N 121.669 . . 384 . 34 LYS H H 7.466 . . 385 . 34 LYS HA H 5.431 . . 386 . 34 LYS HB2 H 1.901 . . 387 . 34 LYS HB3 H 1.796 . . 388 . 34 LYS HG2 H 1.316 . . 389 . 34 LYS HD2 H 1.609 . . 390 . 34 LYS HE2 H 2.93 . . 391 . 34 LYS C C 175.706 . . 392 . 34 LYS CA C 54.563 . . 393 . 34 LYS CB C 35.812 . . 394 . 34 LYS CG C 24.249 . . 395 . 34 LYS CD C 29.249 . . 396 . 34 LYS CE C 42.062 . . 397 . 34 LYS N N 114.559 . . 398 . 35 ASN H H 8.009 . . 399 . 35 ASN HA H 4.578 . . 400 . 35 ASN HB2 H 2.065 . . 401 . 35 ASN HB3 H 1.597 . . 402 . 35 ASN HD22 H 6.17 . . 403 . 35 ASN HD21 H 3.61 . . 404 . 35 ASN C C 172.718 . . 405 . 35 ASN CA C 54.875 . . 406 . 35 ASN CB C 44.875 . . 407 . 35 ASN ND2 N 114.286 . . 408 . 35 ASN N N 116.2 . . 409 . 36 THR H H 7.955 . . 410 . 36 THR HA H 4.519 . . 411 . 36 THR HB H 2.439 . . 412 . 36 THR HG2 H 0.779 . . 413 . 36 THR C C 172.278 . . 414 . 36 THR CA C 62.376 . . 415 . 36 THR CB C 69.251 . . 416 . 36 THR CG2 C 23.624 . . 417 . 36 THR N N 123.037 . . 418 . 37 PHE H H 9.241 . . 419 . 37 PHE HA H 4.613 . . 420 . 37 PHE HB2 H 2.906 . . 421 . 37 PHE HB3 H 2.532 . . 422 . 37 PHE HD1 H 6.875 . . 423 . 37 PHE HE1 H 6.896 . . 424 . 37 PHE HZ H 6.39 . . 425 . 37 PHE C C 173.567 . . 426 . 37 PHE CA C 55.813 . . 427 . 37 PHE CB C 41.125 . . 428 . 37 PHE CD1 C 132.402 . . 429 . 37 PHE CE1 C 131.049 . . 430 . 37 PHE CZ C 129.077 . . 431 . 37 PHE N N 125.498 . . 432 . 38 ILE H H 9.373 . . 433 . 38 ILE HA H 4.262 . . 434 . 38 ILE HB H 1.737 . . 435 . 38 ILE HG12 H 1.059 . . 436 . 38 ILE HG13 H 0.054 . . 437 . 38 ILE HG2 H 0.814 . . 438 . 38 ILE HD1 H 0.358 . . 439 . 38 ILE C C 175.501 . . 440 . 38 ILE CA C 60.501 . . 441 . 38 ILE CB C 40.812 . . 442 . 38 ILE CG1 C 26.124 . . 443 . 38 ILE CG2 C 18.936 . . 444 . 38 ILE CD1 C 15.811 . . 445 . 38 ILE N N 122.76 . . 446 . 39 TYR H H 8.928 . . 447 . 39 TYR HA H 5.396 . . 448 . 39 TYR HB2 H 3.152 . . 449 . 39 TYR HB3 H 2.591 . . 450 . 39 TYR HD1 H 6.895 . . 451 . 39 TYR HE1 H 6.642 . . 452 . 39 TYR C C 173.362 . . 453 . 39 TYR CA C 55.188 . . 454 . 39 TYR CB C 37.375 . . 455 . 39 TYR CD1 C 132.389 . . 456 . 39 TYR CE1 C 119.647 . . 457 . 39 TYR N N 129.326 . . 458 . 40 SER H H 7.696 . . 459 . 40 SER HA H 4.344 . . 460 . 40 SER HB2 H 4.157 . . 461 . 40 SER HB3 H 3.175 . . 462 . 40 SER C C 174.007 . . 463 . 40 SER CA C 57.063 . . 464 . 40 SER CB C 64.876 . . 465 . 40 SER N N 120.849 . . 466 . 41 ARG H H 8.391 . . 467 . 41 ARG HA H 4.695 . . 468 . 41 ARG HB2 H 2.38 . . 469 . 41 ARG HB3 H 1.667 . . 470 . 41 ARG HG2 H 1.866 . . 471 . 41 ARG HG3 H 1.829 . . 472 . 41 ARG HD2 H 3.339 . . 473 . 41 ARG HD3 H 3.292 . . 474 . 41 ARG HE H 7.49 . . 475 . 41 ARG HH11 H 6.773 . . 476 . 41 ARG C C 177.23 . . 477 . 41 ARG CA C 56.125 . . 478 . 41 ARG CB C 28.624 . . 479 . 41 ARG CG C 27.687 . . 480 . 41 ARG CD C 43 . . 481 . 41 ARG N N 123.31 . . 482 . 41 ARG NE N 84.494 . . 483 . 41 ARG NH1 N 71.65 . . 484 . 42 PRO HA H 4.426 . . 485 . 42 PRO HB2 H 2.439 . . 486 . 42 PRO HB3 H 2.287 . . 487 . 42 PRO HG2 H 2.275 . . 488 . 42 PRO HG3 H 2.111 . . 489 . 42 PRO HD2 H 3.935 . . 490 . 42 PRO HD3 H 3.9 . . 491 . 42 PRO C C 178.432 . . 492 . 42 PRO CA C 65.813 . . 493 . 42 PRO CB C 32.062 . . 494 . 42 PRO CG C 27.999 . . 495 . 42 PRO CD C 50.188 . . 496 . 43 GLU H H 9.315 . . 497 . 43 GLU HA H 4.169 . . 498 . 43 GLU HB2 H 2.31 . . 499 . 43 GLU HB3 H 1.983 . . 500 . 43 GLU HG2 H 2.637 . . 501 . 43 GLU HG3 H 2.392 . . 502 . 43 GLU C C 176.91 . . 503 . 43 GLU CA C 63.313 . . 504 . 43 GLU CB C 25.499 . . 505 . 43 GLU CG C 36.75 . . 506 . 43 GLU N N 118.388 . . 507 . 44 PRO HA H 4.426 . . 508 . 44 PRO HB2 H 2.439 . . 509 . 44 PRO HB3 H 1.878 . . 510 . 44 PRO HG2 H 2.076 . . 511 . 44 PRO HD2 H 3.912 . . 512 . 44 PRO HD3 H 3.654 . . 513 . 44 PRO C C 178.285 . . 514 . 44 PRO CA C 65.188 . . 515 . 44 PRO CB C 31.437 . . 516 . 44 PRO CG C 27.999 . . 517 . 44 PRO CD C 49.875 . . 518 . 45 VAL H H 6.855 . . 519 . 45 VAL HA H 3.865 . . 520 . 45 VAL HB H 2.579 . . 521 . 45 VAL HG1 H 1.235 . . 522 . 45 VAL HG2 H 1.164 . . 523 . 45 VAL C C 176.615 . . 524 . 45 VAL CA C 64.876 . . 525 . 45 VAL CB C 31.749 . . 526 . 45 VAL CG1 C 22.687 . . 527 . 45 VAL CG2 C 22.999 . . 528 . 45 VAL N N 115.653 . . 529 . 46 LYS H H 8.41 . . 530 . 46 LYS HA H 2.86 . . 531 . 46 LYS HB2 H 1.574 . . 532 . 46 LYS HB3 H 1.468 . . 533 . 46 LYS HG2 H 1.106 . . 534 . 46 LYS HG3 H -0.151 . . 535 . 46 LYS HD2 H 1.223 . . 536 . 46 LYS HD3 H 1.141 . . 537 . 46 LYS HE2 H 2.38 . . 538 . 46 LYS HE3 H 2.205 . . 539 . 46 LYS C C 179.516 . . 540 . 46 LYS CA C 59.251 . . 541 . 46 LYS CB C 32.374 . . 542 . 46 LYS CG C 25.499 . . 543 . 46 LYS CD C 29.249 . . 544 . 46 LYS CE C 42.062 . . 545 . 46 LYS N N 121.122 . . 546 . 47 ALA H H 7.701 . . 547 . 47 ALA HA H 3.877 . . 548 . 47 ALA HB H 1.422 . . 549 . 47 ALA C C 178.959 . . 550 . 47 ALA CA C 53.938 . . 551 . 47 ALA CB C 18.311 . . 552 . 47 ALA N N 115.653 . . 553 . 48 ILE H H 7.359 . . 554 . 48 ILE HA H 3.654 . . 555 . 48 ILE HB H 1.714 . . 556 . 48 ILE HG12 H 1.784 . . 557 . 48 ILE HG13 H 1.246 . . 558 . 48 ILE HG2 H 0.65 . . 559 . 48 ILE HD1 H 0.755 . . 560 . 48 ILE C C 177.142 . . 561 . 48 ILE CA C 64.251 . . 562 . 48 ILE CB C 38.312 . . 563 . 48 ILE CG1 C 27.062 . . 564 . 48 ILE CG2 C 16.749 . . 565 . 48 ILE CD1 C 15.499 . . 566 . 48 ILE N N 119.208 . . 567 . 49 CYS H H 7.1 . . 568 . 49 CYS HA H 4.671 . . 569 . 49 CYS HB2 H 2.941 . . 570 . 49 CYS HB3 H 1.819 . . 571 . 49 CYS C C 174.271 . . 572 . 49 CYS CA C 51.438 . . 573 . 49 CYS CB C 36.125 . . 574 . 49 CYS N N 111.551 . . 575 . 50 LYS H H 7.251 . . 576 . 50 LYS HA H 3.83 . . 577 . 50 LYS HB2 H 1.749 . . 578 . 50 LYS HG2 H 1.375 . . 579 . 50 LYS HG3 H 1.335 . . 580 . 50 LYS HD2 H 1.646 . . 581 . 50 LYS HD3 H 1.618 . . 582 . 50 LYS HE2 H 2.919 . . 583 . 50 LYS C C 177.67 . . 584 . 50 LYS CA C 59.251 . . 585 . 50 LYS CB C 32.062 . . 586 . 50 LYS CG C 24.562 . . 587 . 50 LYS CD C 29.33 . . 588 . 50 LYS CE C 42.065 . . 589 . 50 LYS N N 123.584 . . 590 . 51 GLY H H 9.1 . . 591 . 51 GLY HA2 H 4.087 . . 592 . 51 GLY HA3 H 3.456 . . 593 . 51 GLY C C 173.362 . . 594 . 51 GLY CA C 45.187 . . 595 . 51 GLY N N 113.739 . . 596 . 52 ILE H H 7.765 . . 597 . 52 ILE HA H 3.958 . . 598 . 52 ILE HB H 1.702 . . 599 . 52 ILE HG12 H 1.223 . . 600 . 52 ILE HG13 H 0.931 . . 601 . 52 ILE HG2 H 0.732 . . 602 . 52 ILE HD1 H 0.709 . . 603 . 52 ILE C C 173.772 . . 604 . 52 ILE CA C 60.501 . . 605 . 52 ILE CB C 36.125 . . 606 . 52 ILE CG1 C 26.437 . . 607 . 52 ILE CG2 C 18.624 . . 608 . 52 ILE CD1 C 12.374 . . 609 . 52 ILE N N 122.216 . . 610 . 53 ILE H H 8.195 . . 611 . 53 ILE HA H 3.771 . . 612 . 53 ILE HB H 1.878 . . 613 . 53 ILE HG12 H 1.363 . . 614 . 53 ILE HG13 H 1.141 . . 615 . 53 ILE HG2 H 0.919 . . 616 . 53 ILE HD1 H 0.709 . . 617 . 53 ILE C C 176.585 . . 618 . 53 ILE CA C 63.313 . . 619 . 53 ILE CB C 37.687 . . 620 . 53 ILE CG1 C 27.999 . . 621 . 53 ILE CG2 C 17.374 . . 622 . 53 ILE CD1 C 11.749 . . 623 . 53 ILE N N 127.959 . . 624 . 54 ALA H H 7.706 . . 625 . 54 ALA HA H 4.274 . . 626 . 54 ALA HB H 1.351 . . 627 . 54 ALA C C 176.585 . . 628 . 54 ALA CA C 51.75 . . 629 . 54 ALA CB C 18.624 . . 630 . 54 ALA N N 123.31 . . 631 . 55 SER H H 7.892 . . 632 . 55 SER HA H 4.952 . . 633 . 55 SER HB2 H 3.631 . . 634 . 55 SER C C 175.824 . . 635 . 55 SER CA C 58.626 . . 636 . 55 SER CB C 63.313 . . 637 . 55 SER N N 112.371 . . 638 . 56 LYS H H 8.337 . . 639 . 56 LYS HA H 4.309 . . 640 . 56 LYS HB2 H 1.761 . . 641 . 56 LYS HB3 H 1.527 . . 642 . 56 LYS HG2 H 1.316 . . 643 . 56 LYS HD2 H 1.595 . . 644 . 56 LYS HE2 H 2.913 . . 645 . 56 LYS C C 174.417 . . 646 . 56 LYS CA C 56.125 . . 647 . 56 LYS CB C 35.812 . . 648 . 56 LYS CG C 24.249 . . 649 . 56 LYS CD C 29.408 . . 650 . 56 LYS CE C 42.117 . . 651 . 56 LYS N N 125.498 . . 652 . 57 ASN H H 8.63 . . 653 . 57 ASN HA H 5.724 . . 654 . 57 ASN HB2 H 2.731 . . 655 . 57 ASN HB3 H 2.427 . . 656 . 57 ASN HD21 H 7.638 . . 657 . 57 ASN HD22 H 6.933 . . 658 . 57 ASN C C 175.003 . . 659 . 57 ASN CA C 51.75 . . 660 . 57 ASN CB C 36.75 . . 661 . 57 ASN ND2 N 111.551 . . 662 . 57 ASN N N 126.045 . . 663 . 58 VAL H H 9.325 . . 664 . 58 VAL HA H 4.087 . . 665 . 58 VAL HB H 1.737 . . 666 . 58 VAL HG1 H 0.72 . . 667 . 58 VAL HG2 H 0.673 . . 668 . 58 VAL C C 172.454 . . 669 . 58 VAL CA C 61.438 . . 670 . 58 VAL CB C 36.125 . . 671 . 58 VAL CG1 C 21.749 . . 672 . 58 VAL CG2 C 21.124 . . 673 . 58 VAL N N 124.951 . . 674 . 59 LEU H H 8.024 . . 675 . 59 LEU HA H 4.59 . . 676 . 59 LEU HB2 H 1.667 . . 677 . 59 LEU HB3 H 1.387 . . 678 . 59 LEU HG H 1.737 . . 679 . 59 LEU HD1 H 0.814 . . 680 . 59 LEU HD2 H 0.416 . . 681 . 59 LEU C C 177.259 . . 682 . 59 LEU CA C 52.375 . . 683 . 59 LEU CB C 43.625 . . 684 . 59 LEU CG C 25.812 . . 685 . 59 LEU CD1 C 26.437 . . 686 . 59 LEU CD2 C 22.687 . . 687 . 59 LEU N N 127.686 . . 688 . 60 THR H H 8.591 . . 689 . 60 THR HA H 4.017 . . 690 . 60 THR HB H 4.566 . . 691 . 60 THR HG2 H 0.451 . . 692 . 60 THR C C 174.652 . . 693 . 60 THR CA C 63.001 . . 694 . 60 THR CB C 69.564 . . 695 . 60 THR CG2 C 21.436 . . 696 . 60 THR N N 118.388 . . 697 . 61 THR H H 8.435 . . 698 . 61 THR HA H 4.18 . . 699 . 61 THR HB H 4.297 . . 700 . 61 THR HG2 H 1.244 . . 701 . 61 THR C C 175.15 . . 702 . 61 THR CA C 62.688 . . 703 . 61 THR CB C 68.938 . . 704 . 61 THR CG2 C 22.061 . . 705 . 61 THR N N 111.551 . . 706 . 62 SER H H 7.515 . . 707 . 62 SER HA H 4.578 . . 708 . 62 SER HB2 H 3.608 . . 709 . 62 SER C C 172.688 . . 710 . 62 SER CA C 56.438 . . 711 . 62 SER CB C 64.876 . . 712 . 62 SER N N 114.286 . . 713 . 63 GLU H H 8.293 . . 714 . 63 GLU HA H 4.134 . . 715 . 63 GLU HB2 H 1.715 . . 716 . 63 GLU HB3 H 1.634 . . 717 . 63 GLU HG2 H 2.287 . . 718 . 63 GLU HG3 H 2.135 . . 719 . 63 GLU C C 175.384 . . 720 . 63 GLU CA C 55.813 . . 721 . 63 GLU CB C 30.294 . . 722 . 63 GLU CG C 35.187 . . 723 . 63 GLU N N 118.388 . . 724 . 64 PHE H H 8.552 . . 725 . 64 PHE HA H 4.555 . . 726 . 64 PHE HB2 H 3.28 . . 727 . 64 PHE HB3 H 2.965 . . 728 . 64 PHE HD1 H 7.4 . . 729 . 64 PHE HD2 H 7.4 . . 730 . 64 PHE HE1 H 7.13 . . 731 . 64 PHE HE2 H 7.13 . . 732 . 64 PHE HZ H 7.1 . . 733 . 64 PHE C C 174.3 . . 734 . 64 PHE CA C 56.438 . . 735 . 64 PHE CB C 43.937 . . 736 . 64 PHE CD1 C 132.485 . . 737 . 64 PHE CD2 C 132.485 . . 738 . 64 PHE CE1 C 131.088 . . 739 . 64 PHE CE2 C 131.088 . . 740 . 64 PHE CZ C 129.501 . . 741 . 64 PHE N N 121.122 . . 742 . 65 TYR H H 9.66 . . 743 . 65 TYR HA H 4.894 . . 744 . 65 TYR HB2 H 3.549 . . 745 . 65 TYR HB3 H 2.976 . . 746 . 65 TYR HD1 H 7.356 . . 747 . 65 TYR HE1 H 6.884 . . 748 . 65 TYR C C 175.003 . . 749 . 65 TYR CA C 58.313 . . 750 . 65 TYR CB C 38 . . 751 . 65 TYR CD1 C 132.746 . . 752 . 65 TYR CE1 C 119.938 . . 753 . 65 TYR N N 119.482 . . 754 . 66 LEU H H 9.276 . . 755 . 66 LEU HA H 5.361 . . 756 . 66 LEU HB2 H 1.948 . . 757 . 66 LEU HB3 H 1.2 . . 758 . 66 LEU HG H 1.936 . . 759 . 66 LEU HD1 H 0.907 . . 760 . 66 LEU HD2 H 0.685 . . 761 . 66 LEU C C 178.051 . . 762 . 66 LEU CA C 53.625 . . 763 . 66 LEU CB C 43.625 . . 764 . 66 LEU CG C 26.437 . . 765 . 66 LEU CD1 C 27.374 . . 766 . 66 LEU CD2 C 23.937 . . 767 . 66 LEU N N 126.045 . . 768 . 67 SER H H 9.354 . . 769 . 67 SER HA H 5.081 . . 770 . 67 SER HB2 H 3.9 . . 771 . 67 SER HB3 H 3.678 . . 772 . 67 SER HG H 6.042 . . 773 . 67 SER C C 171.78 . . 774 . 67 SER CA C 58.001 . . 775 . 67 SER CB C 66.126 . . 776 . 67 SER N N 120.849 . . 777 . 68 ASP H H 9.364 . . 778 . 68 ASP HA H 5.361 . . 779 . 68 ASP HB2 H 2.532 . . 780 . 68 ASP C C 175.384 . . 781 . 68 ASP CA C 53.313 . . 782 . 68 ASP CB C 43.625 . . 783 . 68 ASP N N 125.771 . . 784 . 69 CYS H H 8.425 . . 785 . 69 CYS HA H 5.186 . . 786 . 69 CYS HB2 H 2.45 . . 787 . 69 CYS HB3 H 2.275 . . 788 . 69 CYS C C 173.186 . . 789 . 69 CYS CA C 53.313 . . 790 . 69 CYS CB C 41.437 . . 791 . 69 CYS N N 120.029 . . 792 . 70 ASN H H 8.679 . . 793 . 70 ASN HA H 5.478 . . 794 . 70 ASN HB2 H 2.824 . . 795 . 70 ASN HB3 H 2.696 . . 796 . 70 ASN HD21 H 7.383 . . 797 . 70 ASN HD22 H 6.982 . . 798 . 70 ASN C C 174.915 . . 799 . 70 ASN CA C 52.375 . . 800 . 70 ASN CB C 41.75 . . 801 . 70 ASN ND2 N 111.278 . . 802 . 70 ASN N N 121.396 . . 803 . 71 VAL H H 8.894 . . 804 . 71 VAL HA H 3.666 . . 805 . 71 VAL HB H 2.24 . . 806 . 71 VAL HG1 H 0.907 . . 807 . 71 VAL HG2 H 0.79 . . 808 . 71 VAL C C 174.798 . . 809 . 71 VAL CA C 63.313 . . 810 . 71 VAL CB C 31.749 . . 811 . 71 VAL CG1 C 19.249 . . 812 . 71 VAL CG2 C 21.749 . . 813 . 71 VAL N N 128.233 . . 814 . 72 THR H H 8.043 . . 815 . 72 THR HA H 4.625 . . 816 . 72 THR HB H 4.566 . . 817 . 72 THR HG2 H 1.153 . . 818 . 72 THR C C 173.157 . . 819 . 72 THR CA C 60.501 . . 820 . 72 THR CB C 70.814 . . 821 . 72 THR CG2 C 21.436 . . 822 . 72 THR N N 116.2 . . 823 . 73 SER H H 8.048 . . 824 . 73 SER HA H 4.192 . . 825 . 73 SER HB2 H 3.982 . . 826 . 73 SER HB3 H 3.865 . . 827 . 73 SER C C 174.153 . . 828 . 73 SER CA C 59.563 . . 829 . 73 SER CB C 63.001 . . 830 . 73 SER N N 111.551 . . 831 . 74 ARG H H 7.691 . . 832 . 74 ARG HA H 4.671 . . 833 . 74 ARG HB2 H 1.523 . . 834 . 74 ARG HB3 H 1.398 . . 835 . 74 ARG HG2 H 1.527 . . 836 . 74 ARG HG3 H 1.492 . . 837 . 74 ARG HD2 H 3.082 . . 838 . 74 ARG HE H 7.06 . . 839 . 74 ARG C C 172.16 . . 840 . 74 ARG CA C 52.375 . . 841 . 74 ARG CB C 30.499 . . 842 . 74 ARG CG C 26.437 . . 843 . 74 ARG CD C 43.312 . . 844 . 74 ARG N N 123.584 . . 845 . 74 ARG NE N 84.795 . . 846 . 75 PRO HA H 3.923 . . 847 . 75 PRO HB2 H 2.193 . . 848 . 75 PRO HB3 H 1.749 . . 849 . 75 PRO HG2 H 1.994 . . 850 . 75 PRO HG3 H 1.901 . . 851 . 75 PRO HD2 H 3.83 . . 852 . 75 PRO HD3 H 3.491 . . 853 . 75 PRO C C 176.82 . . 854 . 75 PRO CA C 63.001 . . 855 . 75 PRO CB C 31.749 . . 856 . 75 PRO CG C 27.374 . . 857 . 75 PRO CD C 50.5 . . 858 . 76 CYS H H 8.562 . . 859 . 76 CYS HA H 3.771 . . 860 . 76 CYS HB2 H 4.134 . . 861 . 76 CYS HB3 H 2.602 . . 862 . 76 CYS C C 172.161 . . 863 . 76 CYS CA C 59.563 . . 864 . 76 CYS CB C 46.438 . . 865 . 76 CYS N N 119.208 . . 866 . 77 LYS H H 6.992 . . 867 . 77 LYS HA H 4.671 . . 868 . 77 LYS HB2 H 1.562 . . 869 . 77 LYS HB3 H 1.468 . . 870 . 77 LYS HG2 H 1.106 . . 871 . 77 LYS HD2 H 1.622 . . 872 . 77 LYS HD3 H 1.48 . . 873 . 77 LYS HE2 H 2.882 . . 874 . 77 LYS HE3 H 2.778 . . 875 . 77 LYS C C 176.849 . . 876 . 77 LYS CA C 53.313 . . 877 . 77 LYS CB C 32.687 . . 878 . 77 LYS CG C 23.312 . . 879 . 77 LYS CD C 27.999 . . 880 . 77 LYS CE C 42.375 . . 881 . 77 LYS N N 116.2 . . 882 . 78 TYR H H 9.61 . . 883 . 78 TYR HA H 4.882 . . 884 . 78 TYR HB2 H 2.614 . . 885 . 78 TYR HD2 H 7.283 . . 886 . 78 TYR HE2 H 6.724 . . 887 . 78 TYR HD1 H 6.978 . . 888 . 78 TYR HE1 H 6.547 . . 889 . 78 TYR C C 176.322 . . 890 . 78 TYR CA C 59.251 . . 891 . 78 TYR CB C 42.687 . . 892 . 78 TYR CD1 C 132.56 . . 893 . 78 TYR CD2 C 132.603 . . 894 . 78 TYR CE1 C 119.35 . . 895 . 78 TYR CE2 C 119.514 . . 896 . 78 TYR N N 123.037 . . 897 . 79 LYS H H 8.84 . . 898 . 79 LYS HA H 4.613 . . 899 . 79 LYS HB2 H 1.796 . . 900 . 79 LYS HB3 H 1.655 . . 901 . 79 LYS HG2 H 1.375 . . 902 . 79 LYS HD2 H 1.682 . . 903 . 79 LYS HE2 H 2.965 . . 904 . 79 LYS C C 174.739 . . 905 . 79 LYS CA C 54.563 . . 906 . 79 LYS CB C 35.187 . . 907 . 79 LYS CG C 24.562 . . 908 . 79 LYS CD C 28.937 . . 909 . 79 LYS CE C 41.75 . . 910 . 79 LYS N N 120.302 . . 911 . 80 LEU H H 8.425 . . 912 . 80 LEU HA H 5.291 . . 913 . 80 LEU HB2 H 1.784 . . 914 . 80 LEU HB3 H 1.574 . . 915 . 80 LEU HG H 1.355 . . 916 . 80 LEU HD1 H 1.024 . . 917 . 80 LEU HD2 H 0.931 . . 918 . 80 LEU C C 176.556 . . 919 . 80 LEU CA C 53.938 . . 920 . 80 LEU CB C 43.937 . . 921 . 80 LEU CG C 27.877 . . 922 . 80 LEU CD1 C 26.437 . . 923 . 80 LEU CD2 C 24.249 . . 924 . 80 LEU N N 126.865 . . 925 . 81 LYS H H 9.349 . . 926 . 81 LYS HA H 4.765 . . 927 . 81 LYS HB2 H 1.842 . . 928 . 81 LYS HB3 H 1.749 . . 929 . 81 LYS HG2 H 1.419 . . 930 . 81 LYS HG3 H 1.297 . . 931 . 81 LYS HD2 H 1.69 . . 932 . 81 LYS HE2 H 2.951 . . 933 . 81 LYS C C 175.853 . . 934 . 81 LYS CA C 55.188 . . 935 . 81 LYS CB C 35.5 . . 936 . 81 LYS CG C 24.916 . . 937 . 81 LYS CD C 29.096 . . 938 . 81 LYS CE C 42.062 . . 939 . 81 LYS N N 128.506 . . 940 . 82 LYS H H 9.134 . . 941 . 82 LYS HA H 5.209 . . 942 . 82 LYS HB2 H 1.772 . . 943 . 82 LYS HG2 H 1.522 . . 944 . 82 LYS HG3 H 1.283 . . 945 . 82 LYS HD2 H 1.53 . . 946 . 82 LYS HD3 H 1.402 . . 947 . 82 LYS HE2 H 2.794 . . 948 . 82 LYS HE3 H 2.583 . . 949 . 82 LYS C C 175.648 . . 950 . 82 LYS CA C 55.927 . . 951 . 82 LYS CB C 34.25 . . 952 . 82 LYS CG C 25.187 . . 953 . 82 LYS CD C 29.562 . . 954 . 82 LYS CE C 42.062 . . 955 . 82 LYS N N 129.6 . . 956 . 83 SER H H 8.777 . . 957 . 83 SER HA H 4.788 . . 958 . 83 SER HB2 H 3.877 . . 959 . 83 SER C C 172.395 . . 960 . 83 SER CA C 58.313 . . 961 . 83 SER CB C 66.126 . . 962 . 83 SER N N 116.747 . . 963 . 84 THR H H 8.361 . . 964 . 84 THR HA H 5.431 . . 965 . 84 THR HB H 3.935 . . 966 . 84 THR HG2 H 0.931 . . 967 . 84 THR C C 174.124 . . 968 . 84 THR CA C 60.188 . . 969 . 84 THR CB C 70.189 . . 970 . 84 THR CG2 C 22.062 . . 971 . 84 THR N N 115.38 . . 972 . 85 ASN H H 9.085 . . 973 . 85 ASN HA H 4.929 . . 974 . 85 ASN HB2 H 3.035 . . 975 . 85 ASN HB3 H 2.626 . . 976 . 85 ASN HD21 H 7.77 . . 977 . 85 ASN HD22 H 7.212 . . 978 . 85 ASN C C 175.882 . . 979 . 85 ASN CA C 52.063 . . 980 . 85 ASN CB C 43 . . 981 . 85 ASN ND2 N 111.551 . . 982 . 85 ASN N N 121.396 . . 983 . 86 LYS H H 9.144 . . 984 . 86 LYS HA H 4.496 . . 985 . 86 LYS HB2 H 1.866 . . 986 . 86 LYS HB3 H 1.387 . . 987 . 86 LYS HG2 H 1.367 . . 988 . 86 LYS HG3 H 0.989 . . 989 . 86 LYS HD2 H 1.72 . . 990 . 86 LYS HD3 H 1.55 . . 991 . 86 LYS HE2 H 2.824 . . 992 . 86 LYS HE3 H 2.754 . . 993 . 86 LYS C C 176.615 . . 994 . 86 LYS CA C 56.125 . . 995 . 86 LYS CB C 35.5 . . 996 . 86 LYS CG C 26.124 . . 997 . 86 LYS CD C 29.562 . . 998 . 86 LYS CE C 42.062 . . 999 . 86 LYS N N 120.302 . . 1000 . 87 PHE H H 7.946 . . 1001 . 87 PHE HA H 4.894 . . 1002 . 87 PHE HB2 H 3.105 . . 1003 . 87 PHE HB3 H 2.93 . . 1004 . 87 PHE HD1 H 6.771 . . 1005 . 87 PHE HE1 H 6.542 . . 1006 . 87 PHE HZ H 6.39 . . 1007 . 87 PHE C C 170.52 . . 1008 . 87 PHE CA C 56.438 . . 1009 . 87 PHE CB C 41.125 . . 1010 . 87 PHE CD1 C 131.91 . . 1011 . 87 PHE CE1 C 130.553 . . 1012 . 87 PHE CZ C 129.701 . . 1013 . 87 PHE N N 113.739 . . 1014 . 88 CYS H H 8.924 . . 1015 . 88 CYS HA H 5.688 . . 1016 . 88 CYS HB2 H 3.14 . . 1017 . 88 CYS HB3 H 2.135 . . 1018 . 88 CYS C C 173.831 . . 1019 . 88 CYS CA C 53.938 . . 1020 . 88 CYS CB C 48.938 . . 1021 . 88 CYS N N 120.302 . . 1022 . 89 VAL H H 8.772 . . 1023 . 89 VAL HA H 4.975 . . 1024 . 89 VAL HB H 2.018 . . 1025 . 89 VAL HG1 H 1.012 . . 1026 . 89 VAL HG2 H 0.685 . . 1027 . 89 VAL C C 173.597 . . 1028 . 89 VAL CA C 58.001 . . 1029 . 89 VAL CB C 35.812 . . 1030 . 89 VAL CG1 C 23.312 . . 1031 . 89 VAL CG2 C 18.624 . . 1032 . 89 VAL N N 121.122 . . 1033 . 90 THR H H 8.591 . . 1034 . 90 THR HA H 4.905 . . 1035 . 90 THR HB H 3.783 . . 1036 . 90 THR HG2 H 1.048 . . 1037 . 90 THR C C 174.71 . . 1038 . 90 THR CA C 62.376 . . 1039 . 90 THR CB C 69.564 . . 1040 . 90 THR CG2 C 22.999 . . 1041 . 90 THR N N 117.841 . . 1042 . 91 CYS H H 9.188 . . 1043 . 91 CYS HA H 5.104 . . 1044 . 91 CYS HB2 H 2.731 . . 1045 . 91 CYS HB3 H 2.532 . . 1046 . 91 CYS C C 173.362 . . 1047 . 91 CYS CA C 52.375 . . 1048 . 91 CYS CB C 38.625 . . 1049 . 91 CYS N N 127.139 . . 1050 . 92 GLU H H 8.728 . . 1051 . 92 GLU HA H 4.134 . . 1052 . 92 GLU HB2 H 1.924 . . 1053 . 92 GLU HB3 H 1.889 . . 1054 . 92 GLU HG2 H 2.286 . . 1055 . 92 GLU HG3 H 2.205 . . 1056 . 92 GLU C C 175.824 . . 1057 . 92 GLU CA C 56.438 . . 1058 . 92 GLU CB C 32.687 . . 1059 . 92 GLU CG C 35.187 . . 1060 . 92 GLU N N 118.388 . . 1061 . 93 ASN H H 10.273 . . 1062 . 93 ASN HA H 4.297 . . 1063 . 93 ASN HB2 H 3.047 . . 1064 . 93 ASN HB3 H 2.685 . . 1065 . 93 ASN HD21 H 7.591 . . 1066 . 93 ASN HD22 H 6.836 . . 1067 . 93 ASN C C 174.271 . . 1068 . 93 ASN CA C 54.875 . . 1069 . 93 ASN CB C 37.062 . . 1070 . 93 ASN ND2 N 112.645 . . 1071 . 93 ASN N N 126.592 . . 1072 . 94 GLN H H 8.811 . . 1073 . 94 GLN HA H 3.993 . . 1074 . 94 GLN HB2 H 2.181 . . 1075 . 94 GLN HB3 H 1.991 . . 1076 . 94 GLN HG2 H 1.994 . . 1077 . 94 GLN HG3 H 1.609 . . 1078 . 94 GLN HE21 H 7.662 . . 1079 . 94 GLN HE22 H 6.933 . . 1080 . 94 GLN C C 174.007 . . 1081 . 94 GLN CA C 57.063 . . 1082 . 94 GLN CB C 27.374 . . 1083 . 94 GLN CG C 35.812 . . 1084 . 94 GLN NE2 N 113.465 . . 1085 . 94 GLN N N 105.261 . . 1086 . 95 ALA H H 7.559 . . 1087 . 95 ALA HA H 4.368 . . 1088 . 95 ALA HB H 0.861 . . 1089 . 95 ALA C C 173.01 . . 1090 . 95 ALA CA C 49.563 . . 1091 . 95 ALA CB C 20.811 . . 1092 . 95 ALA N N 118.935 . . 1093 . 96 PRO HA H 4.555 . . 1094 . 96 PRO HB2 H 1.176 . . 1095 . 96 PRO HB3 H 0.592 . . 1096 . 96 PRO HG2 H 1.632 . . 1097 . 96 PRO HG3 H 1.597 . . 1098 . 96 PRO HD2 H 3.152 . . 1099 . 96 PRO HD3 H 2.918 . . 1100 . 96 PRO C C 176.087 . . 1101 . 96 PRO CA C 62.376 . . 1102 . 96 PRO CB C 30.187 . . 1103 . 96 PRO CG C 27.687 . . 1104 . 96 PRO CD C 50.5 . . 1105 . 97 VAL H H 8.474 . . 1106 . 97 VAL HA H 4.613 . . 1107 . 97 VAL HB H 2.14 . . 1108 . 97 VAL HG1 H 0.977 . . 1109 . 97 VAL HG2 H 0.673 . . 1110 . 97 VAL C C 176.439 . . 1111 . 97 VAL CA C 60.188 . . 1112 . 97 VAL CB C 33.312 . . 1113 . 97 VAL CG1 C 22.062 . . 1114 . 97 VAL CG2 C 17.999 . . 1115 . 97 VAL N N 108.816 . . 1116 . 98 HIS H H 7.31 . . 1117 . 98 HIS HA H 5.595 . . 1118 . 98 HIS HB2 H 3.35 . . 1119 . 98 HIS HB3 H 2.883 . . 1120 . 98 HIS HD2 H 7.11 . . 1121 . 98 HIS HE1 H 8.625 . . 1122 . 98 HIS C C 172.864 . . 1123 . 98 HIS CA C 54.25 . . 1124 . 98 HIS CB C 31.749 . . 1125 . 98 HIS CD2 C 121.674 . . 1126 . 98 HIS CE1 C 136.667 . . 1127 . 98 HIS N N 117.841 . . 1128 . 99 PHE H H 9.877 . . 1129 . 99 PHE HA H 4.274 . . 1130 . 99 PHE HB2 H 2.793 . . 1131 . 99 PHE HB3 H 1.562 . . 1132 . 99 PHE HD1 H 6.543 . . 1133 . 99 PHE HE1 H 6.633 . . 1134 . 99 PHE HZ H 6.763 . . 1135 . 99 PHE C C 173.245 . . 1136 . 99 PHE CA C 58.626 . . 1137 . 99 PHE CB C 39.25 . . 1138 . 99 PHE CD1 C 130.324 . . 1139 . 99 PHE CE1 C 129.672 . . 1140 . 99 PHE CZ C 129.652 . . 1141 . 99 PHE N N 132.061 . . 1142 . 100 VAL H H 8.029 . . 1143 . 100 VAL HA H 3.584 . . 1144 . 100 VAL HB H 1.118 . . 1145 . 100 VAL HG1 H 0.837 . . 1146 . 100 VAL HG2 H 0.662 . . 1147 . 100 VAL C C 176.058 . . 1148 . 100 VAL CA C 64.563 . . 1149 . 100 VAL CB C 32.687 . . 1150 . 100 VAL CG1 C 20.499 . . 1151 . 100 VAL CG2 C 22.374 . . 1152 . 100 VAL N N 129.053 . . 1153 . 101 GLY H H 6.601 . . 1154 . 101 GLY HA2 H 4.321 . . 1155 . 101 GLY HA3 H 4.052 . . 1156 . 101 GLY C C 170.754 . . 1157 . 101 GLY CA C 45.5 . . 1158 . 101 GLY N N 102.8 . . 1159 . 102 VAL H H 8.645 . . 1160 . 102 VAL HA H 4.192 . . 1161 . 102 VAL HB H 2.065 . . 1162 . 102 VAL HG1 H 1.188 . . 1163 . 102 VAL HG2 H 1.036 . . 1164 . 102 VAL C C 177.67 . . 1165 . 102 VAL CA C 62.688 . . 1166 . 102 VAL CB C 33.312 . . 1167 . 102 VAL CG1 C 22.374 . . 1168 . 102 VAL CG2 C 22.062 . . 1169 . 102 VAL N N 118.661 . . 1170 . 103 GLY H H 8.669 . . 1171 . 103 GLY HA2 H 4.344 . . 1172 . 103 GLY HA3 H 3.292 . . 1173 . 103 GLY C C 172.6 . . 1174 . 103 GLY CA C 46.438 . . 1175 . 103 GLY N N 115.38 . . 1176 . 104 SER H H 7.242 . . 1177 . 104 SER HA H 4.297 . . 1178 . 104 SER HB2 H 3.806 . . 1179 . 104 SER HB3 H 3.584 . . 1180 . 104 SER C C 173.128 . . 1181 . 104 SER CA C 57.688 . . 1182 . 104 SER CB C 65.188 . . 1183 . 104 SER N N 111.824 . . 1184 . 105 CYS H H 8.351 . . 1185 . 105 CYS HA H 4.438 . . 1186 . 105 CYS HB2 H 3.199 . . 1187 . 105 CYS HB3 H 2.661 . . 1188 . 105 CYS C C 179.13 . . 1189 . 105 CYS CA C 55.5 . . 1190 . 105 CYS CB C 41.75 . . 1191 . 105 CYS N N 123.857 . . stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_set_2 _Chem_shift_reference_set_label $chemical_shift_reference_set_1 _Mol_system_component_name (M-1,Q1,M23L)rOnc _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 . 2 GLN HE21 H 7.532 0.000 1 2 . 2 GLN HE22 H 6.827 0.000 1 3 . 2 GLN NE2 N 111.930 0.012 2 4 . 3 ASP H H 8.104 0.000 1 5 . 3 ASP N N 120.214 0.000 1 6 . 4 TRP HE1 H 10.303 0.000 1 7 . 4 TRP H H 8.741 0.000 1 8 . 4 TRP N N 123.346 0.000 1 9 . 4 TRP NE1 N 129.986 0.000 1 10 . 5 LEU H H 8.069 0.000 1 11 . 5 LEU N N 120.887 0.000 1 12 . 6 THR H H 8.588 0.000 1 13 . 6 THR N N 116.876 0.000 1 14 . 7 PHE H H 8.516 0.000 1 15 . 7 PHE N N 123.730 0.000 1 16 . 8 GLN HE21 H 6.555 0.000 1 17 . 8 GLN H H 8.215 0.000 1 18 . 8 GLN N N 117.254 0.000 1 19 . 8 GLN NE2 N 107.729 0.000 1 20 . 9 LYS H H 7.438 0.000 1 21 . 9 LYS N N 117.686 0.000 1 22 . 10 LYS H H 7.922 0.000 1 23 . 10 LYS N N 114.892 0.000 1 24 . 11 HIS H H 7.745 0.000 1 25 . 11 HIS N N 107.603 0.000 1 26 . 12 ILE H H 8.127 0.000 1 27 . 12 ILE N N 121.339 0.000 1 28 . 13 THR H H 8.622 0.000 1 29 . 13 THR N N 120.531 0.000 1 30 . 14 ASN HD21 H 7.491 0.000 1 31 . 14 ASN HD22 H 6.765 0.000 1 32 . 14 ASN H H 8.256 0.000 1 33 . 14 ASN N N 123.179 0.000 1 34 . 14 ASN ND2 N 111.354 0.002 2 35 . 15 THR H H 7.951 0.000 1 36 . 15 THR N N 113.806 0.000 1 37 . 17 ASP H H 7.855 0.000 1 38 . 17 ASP N N 122.000 0.000 1 39 . 18 VAL H H 6.520 0.000 1 40 . 18 VAL N N 120.986 0.000 1 41 . 19 ASP H H 8.476 0.000 1 42 . 19 ASP N N 126.865 0.000 1 43 . 20 CYS H H 7.826 0.000 1 44 . 20 CYS N N 120.875 0.000 1 45 . 21 ASP H H 8.651 0.000 1 46 . 21 ASP N N 118.350 0.000 1 47 . 22 ASN HD21 H 8.428 0.000 1 48 . 22 ASN HD22 H 6.791 0.000 1 49 . 22 ASN H H 7.134 0.000 1 50 . 22 ASN N N 114.637 0.000 1 51 . 22 ASN ND2 N 115.892 0.011 2 52 . 23 ILE H H 7.762 0.000 1 53 . 23 ILE N N 119.061 0.000 1 54 . 24 LEU H H 8.429 0.000 1 55 . 24 LEU N N 121.319 0.000 1 56 . 25 SER H H 7.014 0.000 1 57 . 25 SER N N 109.174 0.000 1 58 . 26 THR H H 7.439 0.000 1 59 . 26 THR N N 112.296 0.000 1 60 . 27 ASN HD22 H 6.866 0.000 1 61 . 27 ASN ND2 N 112.049 0.000 1 62 . 28 LEU H H 7.279 0.000 1 63 . 28 LEU N N 117.439 0.000 1 64 . 29 PHE H H 6.984 0.000 1 65 . 29 PHE N N 112.358 0.000 1 66 . 30 HIS H H 8.847 0.000 1 67 . 30 HIS N N 114.949 0.000 1 68 . 31 CYS H H 9.094 0.000 1 69 . 31 CYS N N 109.724 0.000 1 70 . 32 LYS H H 6.995 0.000 1 71 . 32 LYS N N 117.185 0.000 1 72 . 33 ASP H H 8.537 0.000 1 73 . 33 ASP N N 121.710 0.000 1 74 . 34 LYS H H 7.487 0.000 1 75 . 34 LYS N N 114.898 0.000 1 76 . 35 ASN HD21 H 6.133 0.000 1 77 . 35 ASN HD22 H 3.600 0.000 1 78 . 35 ASN H H 8.050 0.000 1 79 . 35 ASN N N 116.930 0.000 1 80 . 35 ASN ND2 N 114.363 0.486 2 81 . 36 THR H H 7.864 0.000 1 82 . 36 THR N N 123.657 0.000 1 83 . 37 PHE H H 9.136 0.000 1 84 . 37 PHE N N 124.247 0.000 1 85 . 38 ILE H H 9.436 0.000 1 86 . 38 ILE N N 122.940 0.000 1 87 . 39 TYR H H 8.955 0.000 1 88 . 39 TYR N N 129.424 0.000 1 89 . 40 SER H H 7.699 0.000 1 90 . 40 SER N N 121.130 0.000 1 91 . 41 ARG H H 8.383 0.000 1 92 . 41 ARG N N 123.429 0.000 1 93 . 43 GLU H H 9.402 0.000 1 94 . 43 GLU N N 118.562 0.000 1 95 . 45 VAL H H 6.880 0.000 1 96 . 45 VAL N N 116.033 0.000 1 97 . 46 LYS H H 8.429 0.000 1 98 . 46 LYS N N 121.319 0.000 1 99 . 47 ALA H H 7.685 0.000 1 100 . 47 ALA N N 115.913 0.000 1 101 . 48 ILE H H 7.392 0.000 1 102 . 48 ILE N N 119.609 0.000 1 103 . 49 CYS H H 7.104 0.000 1 104 . 49 CYS N N 111.839 0.000 1 105 . 50 LYS H H 7.263 0.000 1 106 . 50 LYS N N 123.925 0.000 1 107 . 51 GLY H H 9.126 0.000 1 108 . 51 GLY N N 114.078 0.000 1 109 . 52 ILE H H 7.802 0.000 1 110 . 52 ILE N N 122.496 0.000 1 111 . 53 ILE H H 8.182 0.000 1 112 . 53 ILE N N 128.019 0.000 1 113 . 54 ALA H H 7.690 0.000 1 114 . 54 ALA N N 123.580 0.000 1 115 . 55 SER H H 7.940 0.000 1 116 . 55 SER N N 112.726 0.000 1 117 . 56 LYS H H 8.390 0.000 1 118 . 56 LYS N N 125.920 0.000 1 119 . 57 ASN HD21 H 7.641 0.000 1 120 . 57 ASN HD22 H 6.987 0.000 1 121 . 57 ASN H H 8.607 0.000 1 122 . 57 ASN N N 126.155 0.000 1 123 . 57 ASN ND2 N 111.726 0.033 2 124 . 58 VAL H H 9.367 0.000 1 125 . 58 VAL N N 125.187 0.000 1 126 . 59 LEU H H 8.013 0.000 1 127 . 59 LEU N N 127.697 0.000 1 128 . 60 THR H H 8.636 0.000 1 129 . 60 THR N N 118.486 0.000 1 130 . 61 THR H H 8.446 0.000 1 131 . 61 THR N N 111.545 0.000 1 132 . 62 SER H H 7.531 0.000 1 133 . 62 SER N N 114.367 0.000 1 134 . 63 GLU H H 8.357 0.000 1 135 . 63 GLU N N 119.490 0.000 1 136 . 64 PHE H H 8.563 0.000 1 137 . 64 PHE N N 121.376 0.000 1 138 . 65 TYR H H 9.644 0.000 1 139 . 65 TYR N N 119.594 0.000 1 140 . 66 LEU H H 9.264 0.000 1 141 . 66 LEU N N 126.180 0.000 1 142 . 67 SER H H 9.399 0.000 1 143 . 67 SER N N 121.111 0.000 1 144 . 68 ASP H H 9.366 0.000 1 145 . 68 ASP N N 126.067 0.000 1 146 . 69 CYS H H 8.461 0.000 1 147 . 69 CYS N N 120.311 0.000 1 148 . 70 ASN HD21 H 7.387 0.000 1 149 . 70 ASN HD22 H 7.020 0.000 1 150 . 70 ASN H H 8.722 0.000 1 151 . 70 ASN N N 121.654 0.000 1 152 . 70 ASN ND2 N 111.579 0.047 2 153 . 71 VAL H H 8.926 0.000 1 154 . 71 VAL N N 128.316 0.000 1 155 . 72 THR H H 8.081 0.000 1 156 . 72 THR N N 116.459 0.000 1 157 . 74 ARG H H 7.738 0.000 1 158 . 74 ARG N N 123.988 0.000 1 159 . 76 CYS H H 8.587 0.000 1 160 . 76 CYS N N 119.718 0.000 1 161 . 77 LYS H H 7.009 0.000 1 162 . 77 LYS N N 116.390 0.000 1 163 . 78 TYR H H 9.839 0.000 1 164 . 78 TYR N N 124.028 0.000 1 165 . 79 LYS H H 8.885 0.000 1 166 . 79 LYS N N 120.722 0.000 1 167 . 80 LEU H H 8.437 0.000 1 168 . 80 LEU N N 127.235 0.000 1 169 . 81 LYS H H 9.372 0.000 1 170 . 81 LYS N N 128.609 0.000 1 171 . 83 SER H H 8.812 0.000 1 172 . 83 SER N N 117.240 0.000 1 173 . 84 THR H H 8.356 0.000 1 174 . 84 THR N N 115.169 0.000 1 175 . 85 ASN HD21 H 7.776 0.000 1 176 . 85 ASN HD22 H 7.204 0.000 1 177 . 85 ASN H H 9.077 0.000 1 178 . 85 ASN N N 121.464 0.000 1 179 . 85 ASN ND2 N 111.773 0.009 2 180 . 86 LYS H H 9.156 0.000 1 181 . 86 LYS N N 120.868 0.000 1 182 . 87 PHE H H 7.972 0.000 1 183 . 87 PHE N N 114.264 0.000 1 184 . 88 CYS H H 8.938 0.000 1 185 . 88 CYS N N 120.568 0.000 1 186 . 89 VAL H H 8.814 0.000 1 187 . 89 VAL N N 121.602 0.000 1 188 . 90 THR H H 8.586 0.000 1 189 . 90 THR N N 117.987 0.000 1 190 . 91 CYS H H 9.191 0.000 1 191 . 91 CYS N N 127.279 0.000 1 192 . 92 GLU H H 8.741 0.000 1 193 . 92 GLU N N 118.994 0.000 1 194 . 93 ASN HD21 H 7.641 0.000 1 195 . 93 ASN HD22 H 6.846 0.000 1 196 . 93 ASN H H 10.208 0.000 1 197 . 93 ASN N N 126.201 0.000 1 198 . 93 ASN ND2 N 113.366 0.025 2 199 . 94 GLN HE21 H 7.670 0.000 1 200 . 94 GLN HE22 H 6.950 0.000 1 201 . 94 GLN H H 8.810 0.000 1 202 . 94 GLN N N 105.381 0.000 1 203 . 94 GLN NE2 N 113.760 0.068 2 204 . 95 ALA H H 7.600 0.000 1 205 . 95 ALA N N 119.360 0.000 1 206 . 97 VAL H H 8.508 0.000 1 207 . 97 VAL N N 108.987 0.000 1 208 . 98 HIS H H 7.319 0.000 1 209 . 98 HIS N N 118.141 0.000 1 210 . 100 VAL H H 8.077 0.000 1 211 . 100 VAL N N 129.317 0.000 1 212 . 101 GLY H H 6.680 0.000 1 213 . 101 GLY N N 103.070 0.000 1 214 . 102 VAL H H 8.659 0.000 1 215 . 102 VAL N N 118.509 0.000 1 216 . 103 GLY H H 8.704 0.000 1 217 . 103 GLY N N 115.514 0.000 1 218 . 104 SER H H 7.266 0.000 1 219 . 104 SER N N 112.196 0.000 1 220 . 105 CYS H H 8.335 0.000 1 221 . 105 CYS N N 124.461 0.000 1 stop_ save_